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 2nrc_1_A DATA FIRST_RESID 1 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLAGI PENLIGALLK TGVKELTAVS DATA SEQUENCE NNAGVDNFGL GLLLQSKQIK RMISSYVGEN AEFERQYLAG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTST GYGTLVQEGG SPIKYNKDGS IAIASKPREV DATA SEQUENCE REFNGQHFIL EEAIRGDFAL VKAWKADQAG NVTFRKSARN FNLPMCKAAE DATA SEQUENCE TTVVEVEEIV DIGSFAPEDI HIPKIYVHRL VKGEKYEKRI ERLSVRKXXX DATA SEQUENCE XXXXXXXXXX NVRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNMTV DATA SEQUENCE HLQSENGILG LGPYPLQNEV DADLINAGKE TVTVLPGASY FSSDESFAMI DATA SEQUENCE RGGHVNLTML GAMQVSKYGD LANWMIPGKL VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMEHSAKGNA HKIMEKCTLP LTGKQCVNRI ITEKAVFDVD RKKGLTLIEL DATA SEQUENCE WEGLTVDDIK KSTGCDFAVS PKLIPMQQVT 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.781 174.700 0.135 0.000 1.109 1 T CA 0.000 62.132 62.100 0.054 0.000 1.349 1 T CB 0.000 68.813 68.868 -0.091 0.000 0.612 2 K N 2.930 123.411 120.400 0.135 0.000 2.213 2 K HA 0.650 5.115 4.320 0.241 0.000 0.270 2 K C -1.060 175.678 176.600 0.230 0.000 1.002 2 K CA -0.691 55.731 56.287 0.224 0.000 0.868 2 K CB 0.566 33.166 32.500 0.166 0.000 1.093 2 K HN 0.338 nan 8.250 nan 0.000 0.454 3 F N 3.776 123.744 119.950 0.030 0.000 2.404 3 F HA 0.326 5.019 4.527 0.277 0.000 0.345 3 F C -0.289 175.515 175.800 0.007 0.000 1.110 3 F CA -0.420 57.637 58.000 0.095 0.000 1.130 3 F CB 0.475 39.500 39.000 0.042 0.000 1.129 3 F HN 0.369 nan 8.300 nan 0.000 0.500 4 Y N -0.167 120.242 120.300 0.182 0.000 2.509 4 Y HA 0.375 5.064 4.550 0.233 0.000 0.341 4 Y C 1.177 177.142 175.900 0.108 0.000 1.038 4 Y CA -1.056 57.119 58.100 0.125 0.000 1.089 4 Y CB 1.863 40.377 38.460 0.090 0.000 1.241 4 Y HN 0.606 nan 8.280 nan 0.000 0.468 5 T N -3.322 111.371 114.554 0.231 0.000 3.015 5 T HA 0.057 4.551 4.350 0.241 0.000 0.250 5 T C -0.042 174.736 174.700 0.130 0.000 1.057 5 T CA 0.194 62.383 62.100 0.149 0.000 1.066 5 T CB 0.364 69.289 68.868 0.095 0.000 0.959 5 T HN 0.552 nan 8.240 nan 0.000 0.488 6 D N 0.703 121.198 120.400 0.159 0.000 2.481 6 D HA 0.552 5.336 4.640 0.241 0.000 0.246 6 D C 1.116 177.470 176.300 0.090 0.000 1.109 6 D CA -0.360 53.704 54.000 0.106 0.000 0.845 6 D CB 2.059 42.916 40.800 0.094 0.000 1.160 6 D HN 0.067 nan 8.370 nan 0.000 0.534 7 A N 3.457 126.299 122.820 0.037 0.000 1.948 7 A HA -0.140 4.325 4.320 0.241 0.000 0.220 7 A C 2.092 179.657 177.584 -0.033 0.000 1.177 7 A CA 1.509 53.541 52.037 -0.009 0.000 0.636 7 A CB -0.360 18.628 19.000 -0.021 0.000 0.815 7 A HN 0.514 nan 8.150 nan 0.000 0.449 8 V N -0.230 119.678 119.914 -0.010 0.000 2.427 8 V HA -0.194 4.070 4.120 0.241 0.000 0.248 8 V C 2.498 178.590 176.094 -0.003 0.000 1.051 8 V CA 2.200 64.490 62.300 -0.017 0.000 1.048 8 V CB -0.655 31.165 31.823 -0.004 0.000 0.666 8 V HN 0.686 nan 8.190 nan 0.000 0.456 9 E N 0.980 121.209 120.200 0.049 0.000 2.204 9 E HA -0.122 4.373 4.350 0.241 0.000 0.194 9 E C 2.024 178.655 176.600 0.052 0.000 0.989 9 E CA 1.368 57.842 56.400 0.122 0.000 0.824 9 E CB -0.317 29.535 29.700 0.253 0.000 0.756 9 E HN 0.544 nan 8.360 nan 0.000 0.477 10 A N -0.240 122.459 122.820 -0.202 0.000 2.123 10 A HA 0.053 4.517 4.320 0.241 0.000 0.214 10 A C 1.859 179.318 177.584 -0.209 0.000 1.152 10 A CA 1.113 52.788 52.037 -0.603 0.000 0.728 10 A CB 0.008 18.510 19.000 -0.829 0.000 0.814 10 A HN 0.316 nan 8.150 nan 0.000 0.464 11 V N -2.781 117.060 119.914 -0.123 0.000 3.432 11 V HA 0.134 4.398 4.120 0.241 0.000 0.298 11 V C 1.553 177.541 176.094 -0.176 0.000 1.464 11 V CA 0.695 62.907 62.300 -0.147 0.000 1.046 11 V CB -0.469 31.261 31.823 -0.154 0.000 0.887 11 V HN 0.562 nan 8.190 nan 0.000 0.441 12 K N 2.542 122.892 120.400 -0.083 0.000 2.218 12 K HA -0.201 4.264 4.320 0.241 0.000 0.205 12 K C 1.196 177.753 176.600 -0.070 0.000 1.046 12 K CA 2.189 58.441 56.287 -0.059 0.000 0.933 12 K CB -0.537 31.962 32.500 -0.002 0.000 0.728 12 K HN 0.645 nan 8.250 nan 0.000 0.454 13 D N 1.153 121.518 120.400 -0.058 0.000 2.358 13 D HA 0.043 4.827 4.640 0.241 0.000 0.224 13 D C 0.284 176.493 176.300 -0.150 0.000 1.123 13 D CA -0.290 53.698 54.000 -0.020 0.000 0.833 13 D CB -0.260 40.611 40.800 0.118 0.000 0.946 13 D HN 0.285 nan 8.370 nan 0.000 0.505 14 I N 2.862 123.166 120.570 -0.445 0.000 2.517 14 I HA 0.100 4.414 4.170 0.241 0.000 0.285 14 I C -1.785 174.180 176.117 -0.253 0.000 1.106 14 I CA -1.529 59.368 61.300 -0.671 0.000 1.402 14 I CB 0.576 38.099 38.000 -0.795 0.000 1.399 14 I HN -0.184 nan 8.210 nan 0.000 0.535 15 P HA 0.075 nan 4.420 nan 0.000 0.274 15 P C -0.930 176.343 177.300 -0.045 0.000 1.231 15 P CA -0.492 62.583 63.100 -0.042 0.000 0.790 15 P CB 0.581 32.294 31.700 0.021 0.000 0.951 16 N N 0.787 119.469 118.700 -0.030 0.000 2.468 16 N HA 0.171 5.056 4.740 0.241 0.000 0.265 16 N C 1.535 177.039 175.510 -0.010 0.000 1.199 16 N CA 1.355 54.390 53.050 -0.025 0.000 0.928 16 N CB 0.105 38.582 38.487 -0.018 0.000 1.059 16 N HN 0.815 nan 8.380 nan 0.000 0.467 17 G N 0.329 109.123 108.800 -0.009 0.000 2.195 17 G HA2 -0.251 3.854 3.960 0.241 0.000 0.246 17 G HA3 -0.251 3.854 3.960 0.241 0.000 0.246 17 G C 0.320 175.228 174.900 0.013 0.000 0.984 17 G CA 0.151 45.253 45.100 0.003 0.000 0.633 17 G HN 0.899 nan 8.290 nan 0.000 0.525 18 A N 0.143 122.971 122.820 0.013 0.000 2.466 18 A HA 0.591 5.055 4.320 0.241 0.000 0.238 18 A C 0.746 178.356 177.584 0.044 0.000 1.074 18 A CA 1.388 53.451 52.037 0.043 0.000 0.774 18 A CB 0.250 19.280 19.000 0.051 0.000 1.015 18 A HN 0.803 nan 8.150 nan 0.000 0.498 19 T N 1.640 116.235 114.554 0.068 0.000 2.743 19 T HA 0.481 4.975 4.350 0.241 0.000 0.293 19 T C -0.396 174.354 174.700 0.083 0.000 0.945 19 T CA -0.133 62.002 62.100 0.057 0.000 1.030 19 T CB 0.490 69.389 68.868 0.052 0.000 0.912 19 T HN 0.435 nan 8.240 nan 0.000 0.483 20 V N 5.670 125.619 119.914 0.059 0.000 2.444 20 V HA 0.402 4.667 4.120 0.241 0.000 0.294 20 V C -0.086 176.037 176.094 0.048 0.000 1.022 20 V CA -0.965 61.381 62.300 0.075 0.000 0.850 20 V CB 1.508 33.355 31.823 0.041 0.000 0.992 20 V HN 0.749 nan 8.190 nan 0.000 0.426 21 L N 5.295 126.556 121.223 0.063 0.000 2.281 21 L HA 0.540 5.024 4.340 0.241 0.000 0.285 21 L C -0.489 176.403 176.870 0.037 0.000 1.074 21 L CA -0.522 54.342 54.840 0.040 0.000 0.817 21 L CB 1.255 43.345 42.059 0.051 0.000 1.168 21 L HN 0.369 nan 8.230 nan 0.000 0.434 22 V N 2.731 122.650 119.914 0.007 0.000 2.334 22 V HA 0.419 4.683 4.120 0.241 0.000 0.281 22 V C 0.898 176.998 176.094 0.011 0.000 1.016 22 V CA -0.626 61.677 62.300 0.006 0.000 0.832 22 V CB 1.147 32.956 31.823 -0.023 0.000 0.999 22 V HN 0.896 nan 8.190 nan 0.000 0.439 23 G N 2.758 111.593 108.800 0.058 0.000 2.716 23 G HA2 0.550 4.654 3.960 0.241 0.000 0.251 23 G HA3 0.550 4.654 3.960 0.241 0.000 0.251 23 G C 0.317 175.269 174.900 0.088 0.000 1.224 23 G CA 0.408 45.568 45.100 0.101 0.000 0.891 23 G HN 1.686 nan 8.290 nan 0.000 0.561 24 G N -1.881 107.008 108.800 0.148 0.000 2.697 24 G HA2 0.376 4.481 3.960 0.241 0.000 0.684 24 G HA3 0.376 4.481 3.960 0.241 0.000 0.684 24 G C -1.174 173.852 174.900 0.210 0.000 1.274 24 G CA -0.424 44.765 45.100 0.148 0.000 0.806 24 G HN 1.335 nan 8.290 nan 0.000 0.644 25 F N 3.225 123.233 119.950 0.096 0.000 2.500 25 F HA 0.621 5.291 4.527 0.239 0.000 0.349 25 F C 0.976 176.826 175.800 0.083 0.000 1.127 25 F CA 1.268 59.337 58.000 0.114 0.000 0.998 25 F CB 1.081 40.172 39.000 0.152 0.000 1.237 25 F HN 2.218 nan 8.300 nan 0.000 0.439 26 G N 4.833 113.423 108.800 -0.350 0.000 2.561 26 G HA2 -0.308 3.797 3.960 0.241 0.000 0.289 26 G HA3 -0.308 3.797 3.960 0.241 0.000 0.289 26 G C 0.298 175.196 174.900 -0.002 0.000 1.169 26 G CA 0.208 45.191 45.100 -0.194 0.000 0.980 26 G HN 0.742 nan 8.290 nan 0.000 0.550 27 L N 1.678 122.945 121.223 0.075 0.000 2.728 27 L HA 0.562 5.046 4.340 0.241 0.000 0.238 27 L C 1.491 178.463 176.870 0.169 0.000 1.143 27 L CA 0.484 55.425 54.840 0.168 0.000 0.937 27 L CB 0.062 42.231 42.059 0.184 0.000 1.225 27 L HN 0.761 nan 8.230 nan 0.000 0.507 28 A N 0.024 122.932 122.820 0.146 0.000 2.289 28 A HA 0.566 5.030 4.320 0.241 0.000 0.298 28 A C 1.179 178.845 177.584 0.138 0.000 1.208 28 A CA 0.410 52.525 52.037 0.130 0.000 0.845 28 A CB 0.388 19.471 19.000 0.137 0.000 1.125 28 A HN 0.439 nan 8.150 nan 0.000 0.517 29 G N 1.701 110.563 108.800 0.103 0.000 2.198 29 G HA2 -0.183 3.922 3.960 0.241 0.000 0.257 29 G HA3 -0.183 3.922 3.960 0.241 0.000 0.257 29 G C 0.022 174.998 174.900 0.128 0.000 1.042 29 G CA 0.434 45.602 45.100 0.113 0.000 0.791 29 G HN 1.663 nan 8.290 nan 0.000 0.502 30 I N -1.822 118.823 120.570 0.124 0.000 2.385 30 I HA 0.580 4.894 4.170 0.241 0.000 0.294 30 I C -1.885 174.288 176.117 0.093 0.000 0.988 30 I CA -3.149 58.201 61.300 0.082 0.000 1.265 30 I CB 1.853 39.869 38.000 0.027 0.000 1.388 30 I HN -0.083 nan 8.210 nan 0.000 0.480 31 P HA 0.086 nan 4.420 nan 0.000 0.237 31 P C 0.323 177.639 177.300 0.027 0.000 1.788 31 P CA -0.117 63.042 63.100 0.097 0.000 1.061 31 P CB 0.009 31.756 31.700 0.078 0.000 1.967 32 E N 1.293 121.512 120.200 0.030 0.000 2.204 32 E HA -0.203 4.291 4.350 0.241 0.000 0.195 32 E C 1.061 177.607 176.600 -0.090 0.000 0.990 32 E CA 0.848 57.186 56.400 -0.105 0.000 0.821 32 E CB -0.482 29.156 29.700 -0.102 0.000 0.750 32 E HN 0.287 nan 8.360 nan 0.000 0.477 33 N N 0.976 119.638 118.700 -0.064 0.000 2.250 33 N HA -0.016 4.869 4.740 0.241 0.000 0.181 33 N C 2.062 177.538 175.510 -0.056 0.000 1.017 33 N CA 0.816 53.808 53.050 -0.096 0.000 0.866 33 N CB -0.037 38.366 38.487 -0.140 0.000 0.985 33 N HN 0.249 nan 8.380 nan 0.000 0.429 34 L N 0.915 122.122 121.223 -0.026 0.000 2.141 34 L HA -0.052 4.433 4.340 0.241 0.000 0.209 34 L C 2.104 178.945 176.870 -0.049 0.000 1.094 34 L CA 0.573 55.397 54.840 -0.028 0.000 0.763 34 L CB -0.249 41.811 42.059 0.001 0.000 0.908 34 L HN 0.093 nan 8.230 nan 0.000 0.437 35 I N 0.310 120.842 120.570 -0.062 0.000 2.315 35 I HA -0.143 4.172 4.170 0.241 0.000 0.248 35 I C 2.632 178.700 176.117 -0.081 0.000 1.117 35 I CA 1.601 62.851 61.300 -0.082 0.000 1.404 35 I CB -1.704 36.222 38.000 -0.124 0.000 1.071 35 I HN 0.217 nan 8.210 nan 0.000 0.419 36 G N 0.521 109.272 108.800 -0.081 0.000 2.422 36 G HA2 -0.144 3.960 3.960 0.241 0.000 0.218 36 G HA3 -0.144 3.960 3.960 0.241 0.000 0.218 36 G C 1.820 176.688 174.900 -0.053 0.000 1.140 36 G CA 0.808 45.869 45.100 -0.065 0.000 0.775 36 G HN 0.475 nan 8.290 nan 0.000 0.545 37 A N 0.407 123.195 122.820 -0.054 0.000 1.968 37 A HA 0.216 4.680 4.320 0.241 0.000 0.217 37 A C 2.314 179.863 177.584 -0.058 0.000 1.169 37 A CA 0.728 52.735 52.037 -0.050 0.000 0.638 37 A CB -0.270 18.699 19.000 -0.051 0.000 0.812 37 A HN 0.347 nan 8.150 nan 0.000 0.446 38 L N -0.571 120.613 121.223 -0.066 0.000 2.275 38 L HA -0.104 4.381 4.340 0.241 0.000 0.215 38 L C 2.250 179.085 176.870 -0.058 0.000 1.119 38 L CA 0.600 55.396 54.840 -0.073 0.000 0.790 38 L CB -0.351 41.662 42.059 -0.076 0.000 0.919 38 L HN 0.410 nan 8.230 nan 0.000 0.443 39 L N -0.659 120.535 121.223 -0.049 0.000 2.109 39 L HA -0.171 4.314 4.340 0.241 0.000 0.207 39 L C 2.420 179.271 176.870 -0.032 0.000 1.086 39 L CA 1.174 55.992 54.840 -0.038 0.000 0.760 39 L CB -0.341 41.698 42.059 -0.034 0.000 0.910 39 L HN 0.170 nan 8.230 nan 0.000 0.437 40 K N -0.371 120.010 120.400 -0.033 0.000 2.167 40 K HA -0.084 4.380 4.320 0.241 0.000 0.203 40 K C 2.185 178.768 176.600 -0.029 0.000 1.052 40 K CA 1.662 57.934 56.287 -0.026 0.000 0.956 40 K CB -0.189 32.297 32.500 -0.023 0.000 0.735 40 K HN 0.417 nan 8.250 nan 0.000 0.451 41 T N -2.270 112.260 114.554 -0.040 0.000 2.857 41 T HA 0.006 4.501 4.350 0.241 0.000 0.266 41 T C 1.642 176.318 174.700 -0.040 0.000 1.048 41 T CA 1.005 63.078 62.100 -0.044 0.000 1.139 41 T CB -0.285 68.542 68.868 -0.067 0.000 0.874 41 T HN 0.341 nan 8.240 nan 0.000 0.455 42 G N 0.687 109.462 108.800 -0.041 0.000 2.136 42 G HA2 -0.214 3.891 3.960 0.241 0.000 0.242 42 G HA3 -0.214 3.891 3.960 0.241 0.000 0.242 42 G C 0.197 175.074 174.900 -0.039 0.000 0.989 42 G CA 0.121 45.200 45.100 -0.034 0.000 0.682 42 G HN 0.974 nan 8.290 nan 0.000 0.522 43 V N 0.947 120.829 119.914 -0.054 0.000 2.763 43 V HA 0.588 4.853 4.120 0.241 0.000 0.306 43 V C 0.713 176.778 176.094 -0.048 0.000 1.059 43 V CA 1.135 63.400 62.300 -0.060 0.000 1.138 43 V CB 0.863 32.630 31.823 -0.093 0.000 0.940 43 V HN 0.729 nan 8.190 nan 0.000 0.489 44 K N 3.256 123.633 120.400 -0.038 0.000 2.318 44 K HA 0.576 5.041 4.320 0.241 0.000 0.265 44 K C -0.221 176.366 176.600 -0.022 0.000 1.055 44 K CA -0.731 55.539 56.287 -0.028 0.000 0.896 44 K CB 1.186 33.673 32.500 -0.021 0.000 1.479 44 K HN 0.462 nan 8.250 nan 0.000 0.449 45 E N 0.585 120.776 120.200 -0.015 0.000 2.586 45 E HA -0.191 4.304 4.350 0.241 0.000 0.259 45 E C -0.667 175.928 176.600 -0.008 0.000 1.107 45 E CA 0.322 56.717 56.400 -0.009 0.000 0.754 45 E CB -1.474 28.223 29.700 -0.006 0.000 1.335 45 E HN 0.348 nan 8.360 nan 0.000 0.411 46 L N 0.458 121.674 121.223 -0.012 0.000 2.417 46 L HA 0.172 4.657 4.340 0.241 0.000 0.268 46 L C 0.894 177.763 176.870 -0.001 0.000 1.158 46 L CA 0.303 55.137 54.840 -0.010 0.000 0.819 46 L CB 0.794 42.841 42.059 -0.021 0.000 1.112 46 L HN -0.077 nan 8.230 nan 0.000 0.458 47 T N 2.446 117.003 114.554 0.004 0.000 2.781 47 T HA 0.465 4.960 4.350 0.241 0.000 0.305 47 T C 0.027 174.729 174.700 0.004 0.000 1.001 47 T CA -0.446 61.658 62.100 0.007 0.000 0.950 47 T CB 0.959 69.834 68.868 0.012 0.000 0.955 47 T HN 0.635 nan 8.240 nan 0.000 0.471 48 A N 3.754 126.573 122.820 -0.003 0.000 2.252 48 A HA 0.594 5.059 4.320 0.241 0.000 0.309 48 A C 0.104 177.672 177.584 -0.027 0.000 1.285 48 A CA -0.567 51.462 52.037 -0.012 0.000 0.900 48 A CB 0.358 19.348 19.000 -0.018 0.000 1.157 48 A HN 0.658 nan 8.150 nan 0.000 0.536 49 V N 3.286 123.184 119.914 -0.027 0.000 2.339 49 V HA 0.506 4.771 4.120 0.241 0.000 0.261 49 V C 0.454 176.492 176.094 -0.094 0.000 1.058 49 V CA 0.207 62.477 62.300 -0.051 0.000 0.897 49 V CB 0.340 32.150 31.823 -0.021 0.000 1.052 49 V HN 0.899 nan 8.190 nan 0.000 0.480 50 S N 3.533 119.143 115.700 -0.150 0.000 2.536 50 S HA 0.361 4.976 4.470 0.241 0.000 0.271 50 S C 0.713 175.123 174.600 -0.317 0.000 1.134 50 S CA -0.631 57.439 58.200 -0.217 0.000 0.897 50 S CB 1.785 64.898 63.200 -0.145 0.000 1.094 50 S HN 0.650 nan 8.310 nan 0.000 0.473 51 N N 3.574 121.973 118.700 -0.501 0.000 2.069 51 N HA -0.031 4.854 4.740 0.241 0.000 0.191 51 N C 0.252 175.598 175.510 -0.274 0.000 1.031 51 N CA 1.923 54.672 53.050 -0.501 0.000 0.852 51 N CB -0.155 37.976 38.487 -0.593 0.000 1.018 51 N HN 0.721 nan 8.380 nan 0.000 0.423 52 N N -2.345 116.206 118.700 -0.248 0.000 2.890 52 N HA 0.598 5.483 4.740 0.241 0.000 0.317 52 N C -1.126 174.250 175.510 -0.224 0.000 1.355 52 N CA -0.379 52.531 53.050 -0.232 0.000 0.803 52 N CB 1.477 39.832 38.487 -0.220 0.000 1.465 52 N HN 0.063 nan 8.380 nan 0.000 0.591 53 A N 0.027 122.695 122.820 -0.252 0.000 2.701 53 A HA 0.637 5.101 4.320 0.241 0.000 0.297 53 A C 0.973 178.489 177.584 -0.112 0.000 1.197 53 A CA 0.156 52.078 52.037 -0.192 0.000 0.963 53 A CB -1.162 17.669 19.000 -0.283 0.000 1.175 53 A HN 0.896 nan 8.150 nan 0.000 0.531 54 G N -0.253 108.492 108.800 -0.092 0.000 2.582 54 G HA2 -0.107 3.998 3.960 0.241 0.000 0.300 54 G HA3 -0.107 3.998 3.960 0.241 0.000 0.300 54 G C 0.527 175.425 174.900 -0.003 0.000 1.300 54 G CA 1.192 46.281 45.100 -0.018 0.000 0.959 54 G HN 1.849 nan 8.290 nan 0.000 0.548 55 V N -3.547 116.404 119.914 0.062 0.000 3.181 55 V HA 0.695 4.959 4.120 0.241 0.000 0.314 55 V C 1.265 177.401 176.094 0.069 0.000 1.173 55 V CA 0.554 62.888 62.300 0.056 0.000 1.052 55 V CB 1.419 33.287 31.823 0.074 0.000 1.123 55 V HN 0.679 nan 8.190 nan 0.000 0.454 56 D N 1.567 122.003 120.400 0.061 0.000 2.158 56 D HA -0.158 4.626 4.640 0.241 0.000 0.197 56 D C 0.840 177.184 176.300 0.072 0.000 0.995 56 D CA 2.484 56.521 54.000 0.061 0.000 0.846 56 D CB -0.057 40.772 40.800 0.049 0.000 0.941 56 D HN 0.904 nan 8.370 nan 0.000 0.456 57 N N -1.019 117.740 118.700 0.099 0.000 2.328 57 N HA 0.161 5.046 4.740 0.241 0.000 0.247 57 N C -0.830 174.836 175.510 0.261 0.000 1.165 57 N CA -0.364 52.763 53.050 0.129 0.000 0.873 57 N CB 0.142 38.688 38.487 0.099 0.000 1.125 57 N HN -0.028 nan 8.380 nan 0.000 0.513 58 F N -0.513 119.440 119.950 0.006 0.000 2.690 58 F HA 0.563 5.235 4.527 0.241 0.000 0.311 58 F C 0.671 176.473 175.800 0.004 0.000 1.111 58 F CA 0.346 58.351 58.000 0.008 0.000 1.003 58 F CB 1.095 40.102 39.000 0.011 0.000 1.283 58 F HN 0.297 nan 8.300 nan 0.000 0.442 59 G N 3.739 112.259 108.800 -0.467 0.000 2.498 59 G HA2 -0.277 3.827 3.960 0.241 0.000 0.245 59 G HA3 -0.277 3.827 3.960 0.241 0.000 0.245 59 G C 0.601 175.408 174.900 -0.154 0.000 1.204 59 G CA -0.114 44.816 45.100 -0.283 0.000 0.933 59 G HN 0.938 nan 8.290 nan 0.000 0.574 60 L N 2.086 123.254 121.223 -0.092 0.000 2.353 60 L HA 0.051 4.535 4.340 0.241 0.000 0.220 60 L C 3.132 179.987 176.870 -0.025 0.000 1.133 60 L CA 1.581 56.386 54.840 -0.059 0.000 0.798 60 L CB -0.833 41.195 42.059 -0.051 0.000 0.922 60 L HN 0.814 nan 8.230 nan 0.000 0.445 61 G N 0.177 108.970 108.800 -0.012 0.000 2.462 61 G HA2 -0.227 3.878 3.960 0.241 0.000 0.220 61 G HA3 -0.227 3.878 3.960 0.241 0.000 0.220 61 G C 1.599 176.508 174.900 0.015 0.000 1.121 61 G CA 0.440 45.554 45.100 0.024 0.000 0.758 61 G HN 0.275 nan 8.290 nan 0.000 0.559 62 L N -0.231 120.985 121.223 -0.012 0.000 2.056 62 L HA 0.039 4.524 4.340 0.241 0.000 0.207 62 L C 2.808 179.668 176.870 -0.016 0.000 1.078 62 L CA 0.566 55.397 54.840 -0.015 0.000 0.749 62 L CB -0.366 41.666 42.059 -0.045 0.000 0.901 62 L HN 0.180 nan 8.230 nan 0.000 0.433 63 L N -0.567 120.641 121.223 -0.025 0.000 2.275 63 L HA -0.180 4.305 4.340 0.241 0.000 0.215 63 L C 2.398 179.265 176.870 -0.005 0.000 1.119 63 L CA 0.791 55.619 54.840 -0.021 0.000 0.790 63 L CB -0.302 41.740 42.059 -0.029 0.000 0.919 63 L HN 0.316 nan 8.230 nan 0.000 0.443 64 L N -0.975 120.254 121.223 0.010 0.000 2.131 64 L HA -0.153 4.331 4.340 0.241 0.000 0.206 64 L C 2.607 179.485 176.870 0.014 0.000 1.087 64 L CA 1.013 55.867 54.840 0.023 0.000 0.767 64 L CB -0.346 41.748 42.059 0.058 0.000 0.917 64 L HN 0.306 nan 8.230 nan 0.000 0.441 65 Q N -0.194 119.615 119.800 0.014 0.000 2.124 65 Q HA -0.161 4.324 4.340 0.241 0.000 0.202 65 Q C 2.181 178.182 176.000 0.002 0.000 0.977 65 Q CA 1.847 57.656 55.803 0.010 0.000 0.850 65 Q CB -0.010 28.736 28.738 0.014 0.000 0.901 65 Q HN 0.551 nan 8.270 nan 0.000 0.429 66 S N -0.164 115.534 115.700 -0.002 0.000 2.603 66 S HA 0.076 4.691 4.470 0.241 0.000 0.220 66 S C 0.227 174.821 174.600 -0.009 0.000 0.967 66 S CA -0.053 58.143 58.200 -0.007 0.000 0.920 66 S CB 0.024 63.216 63.200 -0.013 0.000 0.773 66 S HN 0.222 nan 8.310 nan 0.000 0.529 67 K N 0.605 121.001 120.400 -0.006 0.000 3.148 67 K HA -0.221 4.243 4.320 0.241 0.000 0.267 67 K C 0.342 176.936 176.600 -0.010 0.000 0.996 67 K CA 0.787 57.070 56.287 -0.007 0.000 0.737 67 K CB -1.661 30.834 32.500 -0.008 0.000 1.308 67 K HN 0.589 nan 8.250 nan 0.000 0.470 68 Q N -0.122 119.671 119.800 -0.012 0.000 2.319 68 Q HA 0.127 4.612 4.340 0.241 0.000 0.202 68 Q C 0.085 176.076 176.000 -0.015 0.000 0.896 68 Q CA 0.187 55.980 55.803 -0.017 0.000 0.942 68 Q CB 0.571 29.294 28.738 -0.025 0.000 1.083 68 Q HN 0.265 nan 8.270 nan 0.000 0.510 69 I N 1.137 121.703 120.570 -0.007 0.000 2.378 69 I HA 0.104 4.419 4.170 0.241 0.000 0.291 69 I C 0.818 176.936 176.117 0.002 0.000 0.992 69 I CA -0.219 61.081 61.300 -0.001 0.000 1.154 69 I CB 1.616 39.621 38.000 0.009 0.000 1.315 69 I HN 0.100 nan 8.210 nan 0.000 0.448 70 K N 5.444 125.846 120.400 0.003 0.000 2.276 70 K HA 0.206 4.671 4.320 0.241 0.000 0.198 70 K C 0.740 177.348 176.600 0.012 0.000 1.052 70 K CA 0.091 56.381 56.287 0.006 0.000 0.984 70 K CB 0.939 33.441 32.500 0.004 0.000 0.836 70 K HN 0.524 nan 8.250 nan 0.000 0.490 71 R N 0.529 121.037 120.500 0.014 0.000 2.564 71 R HA 0.314 4.798 4.340 0.241 0.000 0.284 71 R C -1.399 174.912 176.300 0.018 0.000 1.031 71 R CA -0.636 55.475 56.100 0.018 0.000 0.904 71 R CB 1.503 31.811 30.300 0.014 0.000 1.199 71 R HN 0.013 nan 8.270 nan 0.000 0.443 72 M N 5.522 125.138 119.600 0.027 0.000 2.364 72 M HA 0.429 5.054 4.480 0.241 0.000 0.334 72 M C -0.652 175.642 176.300 -0.011 0.000 1.107 72 M CA -0.613 54.697 55.300 0.017 0.000 0.988 72 M CB 1.762 34.403 32.600 0.069 0.000 1.673 72 M HN 0.583 nan 8.290 nan 0.000 0.441 73 I N 2.471 123.019 120.570 -0.036 0.000 2.428 73 I HA 0.329 4.643 4.170 0.241 0.000 0.279 73 I C -0.483 175.580 176.117 -0.091 0.000 1.040 73 I CA -0.056 61.215 61.300 -0.049 0.000 1.171 73 I CB 0.954 38.932 38.000 -0.036 0.000 1.312 73 I HN 0.606 nan 8.210 nan 0.000 0.470 74 S N 1.883 117.521 115.700 -0.104 0.000 2.651 74 S HA 0.335 4.949 4.470 0.241 0.000 0.279 74 S C 0.561 175.093 174.600 -0.113 0.000 1.148 74 S CA -0.607 57.504 58.200 -0.148 0.000 0.837 74 S CB 2.005 65.088 63.200 -0.196 0.000 1.138 74 S HN 0.635 nan 8.310 nan 0.000 0.478 75 S N -0.283 115.357 115.700 -0.100 0.000 2.475 75 S HA 0.240 4.855 4.470 0.241 0.000 0.224 75 S C -0.182 174.467 174.600 0.081 0.000 1.042 75 S CA 0.161 58.347 58.200 -0.024 0.000 0.935 75 S CB -0.122 63.077 63.200 -0.002 0.000 0.801 75 S HN 0.709 nan 8.310 nan 0.000 0.509 76 Y N 1.558 121.771 120.300 -0.145 0.000 2.330 76 Y HA 0.501 5.194 4.550 0.240 0.000 0.324 76 Y C -0.378 175.365 175.900 -0.262 0.000 1.093 76 Y CA -1.334 56.680 58.100 -0.144 0.000 1.103 76 Y CB 2.089 40.489 38.460 -0.100 0.000 1.183 76 Y HN 0.085 nan 8.280 nan 0.000 0.433 77 V N 2.949 122.389 119.914 -0.789 0.000 3.006 77 V HA 0.641 4.906 4.120 0.241 0.000 0.357 77 V C 0.774 176.326 176.094 -0.904 0.000 1.377 77 V CA 0.264 61.987 62.300 -0.962 0.000 1.198 77 V CB -0.094 30.793 31.823 -1.559 0.000 1.216 77 V HN 0.838 nan 8.190 nan 0.000 0.520 78 G N 0.187 108.327 108.800 -1.101 0.000 2.588 78 G HA2 0.465 4.570 3.960 0.241 0.000 0.278 78 G HA3 0.465 4.570 3.960 0.241 0.000 0.278 78 G C 0.253 174.967 174.900 -0.310 0.000 1.307 78 G CA 0.018 44.733 45.100 -0.642 0.000 1.016 78 G HN 0.544 nan 8.290 nan 0.000 0.503 79 E N -1.420 118.708 120.200 -0.120 0.000 2.586 79 E HA -0.183 4.312 4.350 0.241 0.000 0.259 79 E C -0.029 176.552 176.600 -0.032 0.000 1.107 79 E CA 1.114 57.491 56.400 -0.039 0.000 0.754 79 E CB -1.178 28.519 29.700 -0.005 0.000 1.335 79 E HN 0.426 nan 8.360 nan 0.000 0.411 80 N N -1.073 117.613 118.700 -0.023 0.000 2.581 80 N HA 0.467 5.352 4.740 0.241 0.000 0.279 80 N C 0.495 176.068 175.510 0.104 0.000 1.124 80 N CA 0.521 53.591 53.050 0.034 0.000 0.833 80 N CB 1.002 39.497 38.487 0.014 0.000 1.338 80 N HN 0.055 nan 8.380 nan 0.000 0.533 81 A N 2.544 125.409 122.820 0.074 0.000 1.902 81 A HA -0.158 4.307 4.320 0.241 0.000 0.217 81 A C 1.819 179.449 177.584 0.078 0.000 1.181 81 A CA 1.580 53.658 52.037 0.069 0.000 0.623 81 A CB -0.296 18.728 19.000 0.040 0.000 0.818 81 A HN 0.681 nan 8.150 nan 0.000 0.443 82 E N -0.437 119.810 120.200 0.080 0.000 2.058 82 E HA -0.202 4.292 4.350 0.241 0.000 0.194 82 E C 1.657 178.303 176.600 0.076 0.000 0.997 82 E CA 1.688 58.126 56.400 0.064 0.000 0.801 82 E CB -0.569 29.168 29.700 0.062 0.000 0.746 82 E HN 0.568 nan 8.360 nan 0.000 0.450 83 F N 1.431 121.381 119.950 0.001 0.000 2.126 83 F HA -0.154 4.518 4.527 0.241 0.000 0.299 83 F C 2.224 178.061 175.800 0.061 0.000 1.096 83 F CA 2.235 60.239 58.000 0.007 0.000 1.255 83 F CB -0.413 38.563 39.000 -0.040 0.000 0.997 83 F HN 0.167 nan 8.300 nan 0.000 0.479 84 E N 0.242 120.560 120.200 0.196 0.000 2.058 84 E HA -0.292 4.202 4.350 0.241 0.000 0.194 84 E C 2.565 179.144 176.600 -0.035 0.000 0.997 84 E CA 1.385 57.860 56.400 0.125 0.000 0.801 84 E CB -0.330 29.459 29.700 0.150 0.000 0.746 84 E HN 0.433 nan 8.360 nan 0.000 0.450 85 R N 0.129 120.606 120.500 -0.038 0.000 2.073 85 R HA -0.171 4.313 4.340 0.241 0.000 0.234 85 R C 2.472 178.715 176.300 -0.096 0.000 1.134 85 R CA 1.919 57.981 56.100 -0.063 0.000 0.952 85 R CB -0.118 30.159 30.300 -0.038 0.000 0.850 85 R HN 0.294 nan 8.270 nan 0.000 0.433 86 Q N -0.904 118.830 119.800 -0.110 0.000 2.050 86 Q HA -0.234 4.251 4.340 0.241 0.000 0.202 86 Q C 1.943 177.879 176.000 -0.106 0.000 0.980 86 Q CA 1.879 57.618 55.803 -0.108 0.000 0.840 86 Q CB -0.292 28.379 28.738 -0.112 0.000 0.898 86 Q HN 0.372 nan 8.270 nan 0.000 0.424 87 Y N 1.211 121.267 120.300 -0.407 0.000 2.145 87 Y HA -0.199 4.497 4.550 0.243 0.000 0.286 87 Y C 1.734 177.569 175.900 -0.108 0.000 1.145 87 Y CA 1.384 59.271 58.100 -0.355 0.000 1.148 87 Y CB -0.355 37.664 38.460 -0.735 0.000 0.981 87 Y HN 0.029 nan 8.280 nan 0.000 0.507 88 L N -0.436 120.616 121.223 -0.285 0.000 2.201 88 L HA -0.090 4.395 4.340 0.241 0.000 0.212 88 L C 2.441 179.140 176.870 -0.284 0.000 1.105 88 L CA 0.988 55.559 54.840 -0.449 0.000 0.775 88 L CB -0.802 41.044 42.059 -0.354 0.000 0.913 88 L HN 0.291 nan 8.230 nan 0.000 0.440 89 A N -0.394 122.332 122.820 -0.157 0.000 2.251 89 A HA 0.306 4.771 4.320 0.241 0.000 0.209 89 A C 1.735 179.288 177.584 -0.053 0.000 1.187 89 A CA 0.697 52.675 52.037 -0.099 0.000 0.823 89 A CB -0.332 18.623 19.000 -0.074 0.000 0.846 89 A HN 0.500 nan 8.150 nan 0.000 0.486 90 G N -0.552 108.231 108.800 -0.027 0.000 2.136 90 G HA2 -0.267 3.838 3.960 0.241 0.000 0.242 90 G HA3 -0.267 3.838 3.960 0.241 0.000 0.242 90 G C 0.494 175.401 174.900 0.012 0.000 0.989 90 G CA 0.617 45.730 45.100 0.021 0.000 0.682 90 G HN 0.606 nan 8.290 nan 0.000 0.522 91 E N -1.356 118.841 120.200 -0.004 0.000 2.250 91 E HA 0.254 4.749 4.350 0.241 0.000 0.192 91 E C 0.903 177.503 176.600 -0.000 0.000 0.986 91 E CA 0.383 56.778 56.400 -0.008 0.000 0.849 91 E CB 0.496 30.183 29.700 -0.023 0.000 0.797 91 E HN 0.467 nan 8.360 nan 0.000 0.482 92 L N 1.368 122.596 121.223 0.009 0.000 2.346 92 L HA 0.326 4.810 4.340 0.241 0.000 0.276 92 L C -0.939 175.977 176.870 0.078 0.000 1.006 92 L CA -0.588 54.259 54.840 0.011 0.000 0.817 92 L CB 1.856 43.875 42.059 -0.067 0.000 1.272 92 L HN -0.238 nan 8.230 nan 0.000 0.421 93 E N 3.024 123.259 120.200 0.057 0.000 2.266 93 E HA 0.634 5.129 4.350 0.241 0.000 0.277 93 E C -1.369 175.264 176.600 0.054 0.000 1.018 93 E CA -0.584 55.861 56.400 0.075 0.000 0.840 93 E CB 1.951 31.676 29.700 0.042 0.000 1.082 93 E HN 0.454 nan 8.360 nan 0.000 0.395 94 V N 2.784 122.732 119.914 0.057 0.000 2.668 94 V HA 0.182 4.447 4.120 0.241 0.000 0.304 94 V C -0.759 175.339 176.094 0.006 0.000 1.071 94 V CA -0.812 61.478 62.300 -0.016 0.000 0.894 94 V CB 1.861 33.544 31.823 -0.234 0.000 1.008 94 V HN 0.673 nan 8.190 nan 0.000 0.425 95 E N 4.613 124.812 120.200 -0.002 0.000 2.028 95 E HA 0.417 4.912 4.350 0.241 0.000 0.266 95 E C -0.819 175.775 176.600 -0.009 0.000 0.962 95 E CA -0.432 55.971 56.400 0.004 0.000 0.784 95 E CB 1.313 31.010 29.700 -0.004 0.000 1.114 95 E HN 0.553 nan 8.360 nan 0.000 0.414 96 L N 3.542 124.778 121.223 0.021 0.000 2.530 96 L HA 0.111 4.595 4.340 0.241 0.000 0.273 96 L C 0.063 176.915 176.870 -0.030 0.000 1.141 96 L CA 0.393 55.245 54.840 0.020 0.000 0.905 96 L CB -0.103 42.041 42.059 0.141 0.000 1.202 96 L HN 0.374 nan 8.230 nan 0.000 0.473 97 T N 4.024 118.542 114.554 -0.060 0.000 2.824 97 T HA 0.372 4.867 4.350 0.241 0.000 0.282 97 T C -2.472 172.163 174.700 -0.107 0.000 0.993 97 T CA -1.694 60.359 62.100 -0.079 0.000 0.967 97 T CB 1.910 70.745 68.868 -0.056 0.000 0.960 97 T HN 0.205 nan 8.240 nan 0.000 0.441 98 P HA 0.080 nan 4.420 nan 0.000 0.265 98 P C 0.829 178.023 177.300 -0.177 0.000 1.193 98 P CA 0.073 63.070 63.100 -0.170 0.000 0.765 98 P CB 0.603 32.203 31.700 -0.165 0.000 0.823 99 Q N 2.944 122.614 119.800 -0.216 0.000 2.045 99 Q HA -0.187 4.297 4.340 0.241 0.000 0.206 99 Q C 2.147 177.796 176.000 -0.584 0.000 0.991 99 Q CA 2.347 58.011 55.803 -0.232 0.000 0.851 99 Q CB -0.803 27.880 28.738 -0.092 0.000 0.911 99 Q HN 0.700 nan 8.270 nan 0.000 0.418 100 G N -0.980 107.001 108.800 -1.365 0.000 2.432 100 G HA2 -0.229 3.875 3.960 0.241 0.000 0.219 100 G HA3 -0.229 3.875 3.960 0.241 0.000 0.219 100 G C 1.301 176.028 174.900 -0.289 0.000 1.135 100 G CA 1.270 45.659 45.100 -1.185 0.000 0.767 100 G HN 0.351 nan 8.290 nan 0.000 0.550 101 T N 0.850 115.308 114.554 -0.159 0.000 2.812 101 T HA -0.049 4.445 4.350 0.241 0.000 0.264 101 T C 2.218 176.979 174.700 0.102 0.000 1.042 101 T CA 0.915 63.048 62.100 0.057 0.000 1.140 101 T CB -0.162 68.735 68.868 0.048 0.000 0.870 101 T HN 0.130 nan 8.240 nan 0.000 0.445 102 L N 1.676 122.927 121.223 0.047 0.000 2.042 102 L HA 0.036 4.520 4.340 0.241 0.000 0.210 102 L C 2.553 179.564 176.870 0.235 0.000 1.076 102 L CA 1.900 56.810 54.840 0.118 0.000 0.749 102 L CB -1.004 41.102 42.059 0.079 0.000 0.893 102 L HN 0.221 nan 8.230 nan 0.000 0.432 103 A N -1.110 121.857 122.820 0.246 0.000 1.930 103 A HA -0.197 4.268 4.320 0.241 0.000 0.217 103 A C 2.249 179.852 177.584 0.031 0.000 1.175 103 A CA 1.566 53.681 52.037 0.130 0.000 0.627 103 A CB -0.587 18.331 19.000 -0.137 0.000 0.815 103 A HN 0.504 nan 8.150 nan 0.000 0.443 104 E N 0.110 120.318 120.200 0.014 0.000 2.152 104 E HA -0.065 4.430 4.350 0.241 0.000 0.192 104 E C 2.113 178.748 176.600 0.060 0.000 0.983 104 E CA 1.021 57.350 56.400 -0.118 0.000 0.818 104 E CB -0.210 29.270 29.700 -0.368 0.000 0.758 104 E HN 0.583 nan 8.360 nan 0.000 0.467 105 R N -0.302 120.389 120.500 0.319 0.000 2.092 105 R HA 0.029 4.514 4.340 0.241 0.000 0.231 105 R C 2.360 178.774 176.300 0.190 0.000 1.119 105 R CA 1.340 57.669 56.100 0.382 0.000 0.970 105 R CB -0.241 30.193 30.300 0.223 0.000 0.864 105 R HN 0.264 nan 8.270 nan 0.000 0.440 106 I N 0.268 120.919 120.570 0.135 0.000 2.286 106 I HA -0.229 4.086 4.170 0.241 0.000 0.245 106 I C 2.765 178.910 176.117 0.046 0.000 1.104 106 I CA 0.868 62.224 61.300 0.093 0.000 1.397 106 I CB -0.203 37.872 38.000 0.125 0.000 1.072 106 I HN 0.096 nan 8.210 nan 0.000 0.417 107 R N 1.542 122.050 120.500 0.014 0.000 2.092 107 R HA -0.125 4.359 4.340 0.241 0.000 0.231 107 R C 2.201 178.493 176.300 -0.014 0.000 1.119 107 R CA 1.686 57.762 56.100 -0.039 0.000 0.970 107 R CB -0.322 29.924 30.300 -0.091 0.000 0.864 107 R HN 0.351 nan 8.270 nan 0.000 0.440 108 A N 0.061 122.901 122.820 0.033 0.000 1.933 108 A HA -0.060 4.405 4.320 0.241 0.000 0.218 108 A C 2.362 179.991 177.584 0.075 0.000 1.175 108 A CA 1.658 53.744 52.037 0.081 0.000 0.628 108 A CB -1.062 18.086 19.000 0.248 0.000 0.814 108 A HN 0.509 nan 8.150 nan 0.000 0.444 109 G N -0.747 108.097 108.800 0.074 0.000 2.432 109 G HA2 0.045 4.149 3.960 0.241 0.000 0.219 109 G HA3 0.045 4.149 3.960 0.241 0.000 0.219 109 G C 1.352 176.278 174.900 0.044 0.000 1.135 109 G CA 1.194 46.328 45.100 0.057 0.000 0.767 109 G HN 0.728 nan 8.290 nan 0.000 0.550 110 G N -0.082 108.733 108.800 0.026 0.000 2.777 110 G HA2 0.320 4.424 3.960 0.241 0.000 0.211 110 G HA3 0.320 4.424 3.960 0.241 0.000 0.211 110 G C 1.364 176.294 174.900 0.050 0.000 1.149 110 G CA 0.994 46.109 45.100 0.024 0.000 0.785 110 G HN 0.592 nan 8.290 nan 0.000 0.536 111 A N -0.360 122.483 122.820 0.038 0.000 2.387 111 A HA 0.526 4.991 4.320 0.241 0.000 0.234 111 A C 1.824 179.436 177.584 0.047 0.000 1.253 111 A CA 0.994 53.058 52.037 0.045 0.000 0.894 111 A CB -0.293 18.717 19.000 0.018 0.000 0.963 111 A HN 1.367 nan 8.150 nan 0.000 0.508 112 G N -1.282 107.549 108.800 0.051 0.000 2.162 112 G HA2 -0.207 3.897 3.960 0.241 0.000 0.260 112 G HA3 -0.207 3.897 3.960 0.241 0.000 0.260 112 G C 0.160 175.088 174.900 0.046 0.000 0.976 112 G CA 0.283 45.411 45.100 0.047 0.000 0.655 112 G HN 0.810 nan 8.290 nan 0.000 0.533 113 V N 2.528 122.475 119.914 0.056 0.000 2.348 113 V HA 0.323 4.587 4.120 0.241 0.000 0.270 113 V C 0.001 176.144 176.094 0.083 0.000 1.037 113 V CA -0.615 61.727 62.300 0.072 0.000 0.872 113 V CB 1.582 33.458 31.823 0.088 0.000 1.002 113 V HN 0.196 nan 8.190 nan 0.000 0.464 114 P HA 0.101 nan 4.420 nan 0.000 0.222 114 P C 0.229 177.525 177.300 -0.006 0.000 1.153 114 P CA 0.821 63.938 63.100 0.027 0.000 0.798 114 P CB 0.825 32.533 31.700 0.014 0.000 0.796 115 A N -0.844 121.975 122.820 -0.001 0.000 2.608 115 A HA 0.659 5.124 4.320 0.241 0.000 0.292 115 A C -1.470 176.088 177.584 -0.043 0.000 1.066 115 A CA -0.614 51.340 52.037 -0.138 0.000 0.676 115 A CB 0.634 19.516 19.000 -0.196 0.000 1.277 115 A HN 0.116 nan 8.150 nan 0.000 0.413 116 F N -1.675 118.170 119.950 -0.175 0.000 2.741 116 F HA 0.832 5.504 4.527 0.241 0.000 0.313 116 F C -1.823 173.822 175.800 -0.259 0.000 1.153 116 F CA -1.493 56.424 58.000 -0.137 0.000 0.931 116 F CB 0.621 39.587 39.000 -0.058 0.000 1.335 116 F HN 0.503 nan 8.300 nan 0.000 0.460 117 Y N -0.001 120.463 120.300 0.274 0.000 2.420 117 Y HA 0.689 5.384 4.550 0.241 0.000 0.334 117 Y C 0.321 176.450 175.900 0.381 0.000 1.094 117 Y CA -0.693 57.539 58.100 0.220 0.000 1.126 117 Y CB 2.110 40.626 38.460 0.094 0.000 1.217 117 Y HN 0.889 nan 8.280 nan 0.000 0.462 118 T N -0.322 114.583 114.554 0.586 0.000 2.982 118 T HA 0.252 4.746 4.350 0.241 0.000 0.321 118 T C 0.346 175.380 174.700 0.557 0.000 1.229 118 T CA -0.237 62.207 62.100 0.573 0.000 1.044 118 T CB 0.886 70.033 68.868 0.464 0.000 1.184 118 T HN 0.677 nan 8.240 nan 0.000 0.477 119 S N 2.166 118.134 115.700 0.448 0.000 2.558 119 S HA 0.133 4.747 4.470 0.241 0.000 0.217 119 S C 0.801 175.475 174.600 0.125 0.000 0.975 119 S CA 0.003 58.234 58.200 0.052 0.000 0.912 119 S CB -0.308 62.695 63.200 -0.328 0.000 0.776 119 S HN 0.719 nan 8.310 nan 0.000 0.526 120 T N 2.584 117.236 114.554 0.163 0.000 2.817 120 T HA 0.480 4.975 4.350 0.241 0.000 0.295 120 T C 1.259 176.012 174.700 0.087 0.000 0.958 120 T CA 0.809 62.974 62.100 0.108 0.000 1.157 120 T CB 0.379 69.302 68.868 0.091 0.000 0.898 120 T HN 0.900 nan 8.240 nan 0.000 0.536 121 G N 2.897 111.728 108.800 0.050 0.000 2.176 121 G HA2 -0.257 3.848 3.960 0.241 0.000 0.232 121 G HA3 -0.257 3.848 3.960 0.241 0.000 0.232 121 G C -0.013 174.925 174.900 0.063 0.000 0.986 121 G CA -0.239 44.869 45.100 0.013 0.000 0.643 121 G HN 0.784 nan 8.290 nan 0.000 0.522 122 Y N 1.290 121.591 120.300 0.001 0.000 2.526 122 Y HA 0.375 5.069 4.550 0.240 0.000 0.330 122 Y C 1.505 177.401 175.900 -0.007 0.000 1.156 122 Y CA 1.118 59.219 58.100 0.001 0.000 1.419 122 Y CB 0.855 39.305 38.460 -0.017 0.000 1.250 122 Y HN 1.370 nan 8.280 nan 0.000 0.540 123 G N 3.137 111.480 108.800 -0.762 0.000 2.179 123 G HA2 -0.273 3.831 3.960 0.241 0.000 0.260 123 G HA3 -0.273 3.831 3.960 0.241 0.000 0.260 123 G C 0.187 174.968 174.900 -0.199 0.000 0.977 123 G CA 0.541 45.314 45.100 -0.545 0.000 0.641 123 G HN 1.158 nan 8.290 nan 0.000 0.533 124 T N -2.719 111.767 114.554 -0.114 0.000 2.841 124 T HA 0.709 5.204 4.350 0.241 0.000 0.276 124 T C 1.607 176.328 174.700 0.034 0.000 1.003 124 T CA -0.191 61.914 62.100 0.010 0.000 0.995 124 T CB 1.195 70.079 68.868 0.025 0.000 1.260 124 T HN 0.238 nan 8.240 nan 0.000 0.581 125 L N 0.659 121.965 121.223 0.139 0.000 2.261 125 L HA -0.079 4.406 4.340 0.241 0.000 0.216 125 L C 2.755 179.671 176.870 0.076 0.000 1.114 125 L CA 0.742 55.666 54.840 0.139 0.000 0.777 125 L CB -0.812 41.411 42.059 0.273 0.000 0.910 125 L HN 0.545 nan 8.230 nan 0.000 0.440 126 V N -0.357 119.576 119.914 0.031 0.000 2.295 126 V HA -0.301 3.963 4.120 0.241 0.000 0.246 126 V C 2.485 178.584 176.094 0.008 0.000 1.049 126 V CA 1.989 64.286 62.300 -0.005 0.000 1.024 126 V CB -0.516 31.274 31.823 -0.055 0.000 0.648 126 V HN 0.546 nan 8.190 nan 0.000 0.447 127 Q N -0.280 119.524 119.800 0.006 0.000 2.008 127 Q HA -0.177 4.307 4.340 0.241 0.000 0.196 127 Q C 2.289 178.293 176.000 0.007 0.000 0.973 127 Q CA 1.397 57.212 55.803 0.020 0.000 0.826 127 Q CB -0.123 28.619 28.738 0.007 0.000 0.894 127 Q HN 0.592 nan 8.270 nan 0.000 0.439 128 E N 0.187 120.377 120.200 -0.017 0.000 2.110 128 E HA -0.006 4.488 4.350 0.241 0.000 0.193 128 E C 0.941 177.547 176.600 0.009 0.000 0.988 128 E CA 1.037 57.430 56.400 -0.011 0.000 0.804 128 E CB -0.213 29.473 29.700 -0.023 0.000 0.745 128 E HN 0.533 nan 8.360 nan 0.000 0.458 129 G N -1.677 107.136 108.800 0.022 0.000 2.603 129 G HA2 0.115 4.220 3.960 0.241 0.000 0.686 129 G HA3 0.115 4.220 3.960 0.241 0.000 0.686 129 G C 0.545 175.467 174.900 0.036 0.000 1.286 129 G CA -0.110 45.006 45.100 0.026 0.000 0.871 129 G HN 0.660 nan 8.290 nan 0.000 0.568 130 G N -1.706 107.112 108.800 0.031 0.000 2.195 130 G HA2 0.116 4.220 3.960 0.241 0.000 0.224 130 G HA3 0.116 4.220 3.960 0.241 0.000 0.224 130 G C 0.883 175.812 174.900 0.047 0.000 0.990 130 G CA 1.417 46.534 45.100 0.029 0.000 0.639 130 G HN 2.318 nan 8.290 nan 0.000 0.514 131 S N 2.923 118.673 115.700 0.083 0.000 2.533 131 S HA 0.486 5.100 4.470 0.241 0.000 0.282 131 S C -1.724 172.916 174.600 0.066 0.000 1.304 131 S CA -0.393 57.888 58.200 0.135 0.000 1.063 131 S CB 0.823 64.131 63.200 0.180 0.000 0.881 131 S HN 0.324 nan 8.310 nan 0.000 0.493 132 P HA 0.122 nan 4.420 nan 0.000 0.269 132 P C 0.316 177.631 177.300 0.024 0.000 1.252 132 P CA 0.096 63.132 63.100 -0.107 0.000 0.780 132 P CB 0.314 31.856 31.700 -0.263 0.000 0.829 133 I N 2.373 122.931 120.570 -0.020 0.000 2.810 133 I HA 0.098 4.412 4.170 0.241 0.000 0.262 133 I C 1.293 177.471 176.117 0.102 0.000 1.131 133 I CA 0.877 62.218 61.300 0.068 0.000 1.453 133 I CB 0.130 38.145 38.000 0.025 0.000 1.161 133 I HN 0.291 nan 8.210 nan 0.000 0.444 134 K N 0.050 120.416 120.400 -0.056 0.000 2.468 134 K HA 0.400 4.865 4.320 0.241 0.000 0.252 134 K C -1.707 174.764 176.600 -0.214 0.000 0.932 134 K CA -0.543 55.715 56.287 -0.049 0.000 0.794 134 K CB 1.996 34.494 32.500 -0.003 0.000 1.241 134 K HN -0.233 nan 8.250 nan 0.000 0.428 135 Y N 0.921 121.164 120.300 -0.095 0.000 2.488 135 Y HA 0.357 5.051 4.550 0.241 0.000 0.325 135 Y C 0.711 176.558 175.900 -0.089 0.000 1.204 135 Y CA -0.529 57.492 58.100 -0.131 0.000 1.229 135 Y CB 1.236 39.552 38.460 -0.240 0.000 1.274 135 Y HN 0.557 nan 8.280 nan 0.000 0.493 136 N N 0.306 119.077 118.700 0.118 0.000 2.476 136 N HA 0.210 5.095 4.740 0.241 0.000 0.276 136 N C 0.271 175.795 175.510 0.022 0.000 1.204 136 N CA -0.455 52.622 53.050 0.044 0.000 0.974 136 N CB 1.069 39.572 38.487 0.027 0.000 1.204 136 N HN 0.549 nan 8.380 nan 0.000 0.543 137 K N 0.022 120.420 120.400 -0.003 0.000 2.439 137 K HA -0.073 4.391 4.320 0.241 0.000 0.197 137 K C 0.421 177.002 176.600 -0.031 0.000 1.041 137 K CA 0.755 57.027 56.287 -0.025 0.000 0.970 137 K CB 0.097 32.584 32.500 -0.022 0.000 0.773 137 K HN 0.528 nan 8.250 nan 0.000 0.479 138 D N -0.516 119.873 120.400 -0.018 0.000 2.342 138 D HA 0.018 4.802 4.640 0.241 0.000 0.221 138 D C 1.088 177.373 176.300 -0.025 0.000 1.101 138 D CA 0.644 54.631 54.000 -0.021 0.000 0.837 138 D CB 0.434 41.227 40.800 -0.012 0.000 0.938 138 D HN 0.239 nan 8.370 nan 0.000 0.508 139 G N 0.622 109.403 108.800 -0.032 0.000 2.253 139 G HA2 -0.317 3.788 3.960 0.241 0.000 0.251 139 G HA3 -0.317 3.788 3.960 0.241 0.000 0.251 139 G C 0.507 175.438 174.900 0.052 0.000 0.998 139 G CA 0.498 45.568 45.100 -0.050 0.000 0.621 139 G HN 0.783 nan 8.290 nan 0.000 0.524 140 S N 0.108 115.851 115.700 0.072 0.000 2.645 140 S HA 0.713 5.328 4.470 0.241 0.000 0.266 140 S C 0.471 175.150 174.600 0.131 0.000 1.258 140 S CA -0.707 57.548 58.200 0.091 0.000 0.990 140 S CB 1.428 64.648 63.200 0.035 0.000 0.967 140 S HN 0.577 nan 8.310 nan 0.000 0.556 141 I N 1.793 122.384 120.570 0.035 0.000 2.396 141 I HA 0.232 4.546 4.170 0.241 0.000 0.289 141 I C 1.250 177.321 176.117 -0.076 0.000 1.056 141 I CA -0.452 60.782 61.300 -0.109 0.000 1.365 141 I CB 0.998 38.900 38.000 -0.164 0.000 1.407 141 I HN 0.928 nan 8.210 nan 0.000 0.509 142 A N 7.894 130.662 122.820 -0.087 0.000 1.903 142 A HA 0.273 4.738 4.320 0.241 0.000 0.213 142 A C 0.929 178.482 177.584 -0.053 0.000 1.185 142 A CA 0.925 52.934 52.037 -0.047 0.000 0.628 142 A CB 0.151 19.135 19.000 -0.026 0.000 0.830 142 A HN 0.642 nan 8.150 nan 0.000 0.446 143 I N -0.375 120.147 120.570 -0.080 0.000 2.500 143 I HA 0.541 4.856 4.170 0.241 0.000 0.286 143 I C -0.290 175.785 176.117 -0.070 0.000 1.063 143 I CA -0.553 60.714 61.300 -0.056 0.000 1.062 143 I CB 1.938 39.919 38.000 -0.030 0.000 1.223 143 I HN 0.183 nan 8.210 nan 0.000 0.435 144 A N 4.180 126.971 122.820 -0.048 0.000 2.320 144 A HA 0.791 5.255 4.320 0.241 0.000 0.334 144 A C 0.151 177.729 177.584 -0.010 0.000 1.147 144 A CA -0.542 51.474 52.037 -0.035 0.000 0.820 144 A CB 1.289 20.271 19.000 -0.030 0.000 1.218 144 A HN 0.751 nan 8.150 nan 0.000 0.482 145 S N 1.525 117.229 115.700 0.007 0.000 2.585 145 S HA 0.381 4.996 4.470 0.241 0.000 0.273 145 S C -0.120 174.485 174.600 0.009 0.000 1.339 145 S CA -0.489 57.718 58.200 0.012 0.000 1.028 145 S CB 0.428 63.643 63.200 0.025 0.000 0.906 145 S HN 0.542 nan 8.310 nan 0.000 0.528 146 K N 1.951 122.354 120.400 0.004 0.000 2.098 146 K HA 0.487 4.952 4.320 0.241 0.000 0.261 146 K C -2.428 174.176 176.600 0.007 0.000 0.987 146 K CA -2.447 53.842 56.287 0.004 0.000 0.916 146 K CB 0.092 32.592 32.500 0.000 0.000 1.039 146 K HN 0.534 nan 8.250 nan 0.000 0.455 147 P HA 0.103 nan 4.420 nan 0.000 0.268 147 P C -0.285 177.026 177.300 0.018 0.000 1.205 147 P CA -0.097 63.012 63.100 0.016 0.000 0.771 147 P CB 0.704 32.414 31.700 0.018 0.000 0.858 148 R N 1.421 121.937 120.500 0.027 0.000 2.543 148 R HA 0.295 4.780 4.340 0.241 0.000 0.268 148 R C 0.456 176.793 176.300 0.062 0.000 1.067 148 R CA -0.730 55.387 56.100 0.028 0.000 1.142 148 R CB 0.576 30.893 30.300 0.029 0.000 1.110 148 R HN 0.571 nan 8.270 nan 0.000 0.549 149 E N 0.871 121.108 120.200 0.062 0.000 2.289 149 E HA 0.186 4.680 4.350 0.241 0.000 0.278 149 E C -0.855 175.863 176.600 0.197 0.000 1.032 149 E CA -0.362 56.103 56.400 0.109 0.000 0.854 149 E CB 1.056 30.811 29.700 0.092 0.000 1.046 149 E HN 0.126 nan 8.360 nan 0.000 0.409 150 V N 5.018 125.060 119.914 0.214 0.000 2.483 150 V HA 0.529 4.794 4.120 0.241 0.000 0.295 150 V C -0.057 176.168 176.094 0.217 0.000 1.035 150 V CA -0.560 61.906 62.300 0.276 0.000 0.896 150 V CB 1.647 33.657 31.823 0.311 0.000 0.986 150 V HN 0.668 nan 8.190 nan 0.000 0.447 151 R N 2.466 123.079 120.500 0.189 0.000 2.626 151 R HA 0.422 4.907 4.340 0.241 0.000 0.274 151 R C -0.921 175.213 176.300 -0.277 0.000 1.031 151 R CA -0.605 55.434 56.100 -0.103 0.000 0.898 151 R CB 2.085 32.236 30.300 -0.248 0.000 1.222 151 R HN 0.878 nan 8.270 nan 0.000 0.455 152 E N 3.663 123.552 120.200 -0.518 0.000 2.283 152 E HA 0.277 4.772 4.350 0.241 0.000 0.278 152 E C -1.523 174.654 176.600 -0.705 0.000 1.027 152 E CA -0.337 55.718 56.400 -0.575 0.000 0.843 152 E CB 0.687 30.043 29.700 -0.573 0.000 1.062 152 E HN 0.363 nan 8.360 nan 0.000 0.401 153 F N 3.124 123.058 119.950 -0.027 0.000 2.671 153 F HA 0.233 4.906 4.527 0.242 0.000 0.332 153 F C -0.411 175.412 175.800 0.037 0.000 1.189 153 F CA -1.000 56.969 58.000 -0.053 0.000 0.988 153 F CB 1.362 40.220 39.000 -0.237 0.000 1.258 153 F HN 0.579 nan 8.300 nan 0.000 0.471 154 N N 1.961 120.740 118.700 0.132 0.000 2.725 154 N HA -0.140 4.745 4.740 0.241 0.000 0.251 154 N C 0.969 176.514 175.510 0.058 0.000 1.031 154 N CA 1.299 54.398 53.050 0.082 0.000 0.720 154 N CB -0.963 37.581 38.487 0.095 0.000 0.930 154 N HN 1.207 nan 8.380 nan 0.000 0.543 155 G N -1.594 107.204 108.800 -0.003 0.000 2.179 155 G HA2 -0.378 3.726 3.960 0.241 0.000 0.260 155 G HA3 -0.378 3.726 3.960 0.241 0.000 0.260 155 G C -0.078 174.795 174.900 -0.044 0.000 0.977 155 G CA 0.668 45.752 45.100 -0.026 0.000 0.641 155 G HN 0.744 nan 8.290 nan 0.000 0.533 156 Q N -0.250 119.527 119.800 -0.040 0.000 2.394 156 Q HA 0.632 5.116 4.340 0.241 0.000 0.273 156 Q C -0.838 174.952 176.000 -0.349 0.000 1.089 156 Q CA -0.914 54.796 55.803 -0.156 0.000 0.812 156 Q CB 1.186 29.815 28.738 -0.181 0.000 1.353 156 Q HN 0.489 nan 8.270 nan 0.000 0.438 157 H N 1.574 120.279 119.070 -0.609 0.000 2.473 157 H HA 0.482 5.182 4.556 0.241 0.000 0.327 157 H C -1.151 173.681 175.328 -0.827 0.000 1.105 157 H CA 0.164 55.825 56.048 -0.644 0.000 1.280 157 H CB 0.628 29.755 29.762 -1.059 0.000 1.450 157 H HN 0.364 nan 8.280 nan 0.000 0.492 158 F N 1.408 121.377 119.950 0.031 0.000 2.620 158 F HA 0.469 5.140 4.527 0.241 0.000 0.320 158 F C 0.027 176.019 175.800 0.320 0.000 1.069 158 F CA -1.268 56.856 58.000 0.207 0.000 0.953 158 F CB 1.323 40.528 39.000 0.342 0.000 1.322 158 F HN 0.368 nan 8.300 nan 0.000 0.479 159 I N 0.529 121.397 120.570 0.497 0.000 2.603 159 I HA 0.640 4.955 4.170 0.241 0.000 0.300 159 I C -1.289 174.928 176.117 0.166 0.000 1.017 159 I CA -1.210 60.292 61.300 0.336 0.000 1.098 159 I CB 1.967 40.099 38.000 0.221 0.000 1.279 159 I HN 0.422 nan 8.210 nan 0.000 0.437 160 L N 4.639 125.839 121.223 -0.038 0.000 2.319 160 L HA 0.402 4.886 4.340 0.241 0.000 0.280 160 L C -0.298 176.341 176.870 -0.385 0.000 1.099 160 L CA 0.715 55.281 54.840 -0.458 0.000 0.828 160 L CB 0.175 41.981 42.059 -0.422 0.000 1.150 160 L HN 0.583 nan 8.230 nan 0.000 0.442 161 E N 4.530 124.348 120.200 -0.636 0.000 2.210 161 E HA 0.339 4.833 4.350 0.241 0.000 0.266 161 E C -0.949 175.236 176.600 -0.693 0.000 0.883 161 E CA -0.545 55.481 56.400 -0.623 0.000 0.761 161 E CB 1.748 31.014 29.700 -0.724 0.000 1.156 161 E HN 0.605 nan 8.360 nan 0.000 0.412 162 E N 0.816 120.794 120.200 -0.370 0.000 2.277 162 E HA 0.475 4.970 4.350 0.241 0.000 0.274 162 E C -0.267 176.250 176.600 -0.139 0.000 1.022 162 E CA -0.662 55.594 56.400 -0.240 0.000 0.853 162 E CB 1.396 31.014 29.700 -0.137 0.000 1.086 162 E HN 0.531 nan 8.360 nan 0.000 0.397 163 A N 2.887 125.679 122.820 -0.047 0.000 2.507 163 A HA 0.151 4.616 4.320 0.241 0.000 0.235 163 A C -0.089 177.516 177.584 0.034 0.000 1.070 163 A CA 0.289 52.356 52.037 0.050 0.000 0.768 163 A CB 0.096 19.135 19.000 0.065 0.000 1.011 163 A HN 0.556 nan 8.150 nan 0.000 0.502 164 I N 1.031 121.637 120.570 0.061 0.000 2.406 164 I HA 0.481 4.796 4.170 0.241 0.000 0.290 164 I C 0.238 176.384 176.117 0.047 0.000 0.999 164 I CA -0.307 61.020 61.300 0.046 0.000 1.124 164 I CB 1.713 39.743 38.000 0.051 0.000 1.289 164 I HN 0.834 nan 8.210 nan 0.000 0.441 165 R N 4.002 124.526 120.500 0.040 0.000 2.750 165 R HA 0.776 5.261 4.340 0.241 0.000 0.281 165 R C -0.763 175.563 176.300 0.043 0.000 0.972 165 R CA -0.471 55.654 56.100 0.041 0.000 0.912 165 R CB 2.136 32.459 30.300 0.039 0.000 1.187 165 R HN 0.728 nan 8.270 nan 0.000 0.464 166 G N 0.648 109.476 108.800 0.048 0.000 2.511 166 G HA2 0.204 4.309 3.960 0.241 0.000 0.318 166 G HA3 0.204 4.309 3.960 0.241 0.000 0.318 166 G C -0.480 174.463 174.900 0.072 0.000 1.210 166 G CA -0.535 44.604 45.100 0.065 0.000 0.969 166 G HN 0.708 nan 8.290 nan 0.000 0.484 167 D N -0.595 119.879 120.400 0.123 0.000 2.137 167 D HA 0.046 4.831 4.640 0.241 0.000 0.202 167 D C -0.172 176.190 176.300 0.103 0.000 0.970 167 D CA 1.321 55.412 54.000 0.152 0.000 0.837 167 D CB 0.237 41.201 40.800 0.273 0.000 0.981 167 D HN 0.163 nan 8.370 nan 0.000 0.475 168 F N -0.445 119.522 119.950 0.030 0.000 2.588 168 F HA 0.552 5.228 4.527 0.248 0.000 0.314 168 F C -0.475 175.334 175.800 0.014 0.000 1.069 168 F CA -1.190 56.825 58.000 0.025 0.000 0.931 168 F CB 2.080 41.087 39.000 0.011 0.000 1.260 168 F HN -0.289 nan 8.300 nan 0.000 0.465 169 A N 3.009 125.931 122.820 0.170 0.000 2.359 169 A HA 0.794 5.259 4.320 0.241 0.000 0.303 169 A C -1.638 176.012 177.584 0.110 0.000 1.066 169 A CA -0.569 51.529 52.037 0.102 0.000 0.730 169 A CB 0.884 19.906 19.000 0.037 0.000 1.211 169 A HN 0.722 nan 8.150 nan 0.000 0.439 170 L N 3.506 124.785 121.223 0.093 0.000 2.277 170 L HA 0.494 4.979 4.340 0.241 0.000 0.284 170 L C -0.787 176.132 176.870 0.081 0.000 1.028 170 L CA -0.639 54.248 54.840 0.079 0.000 0.835 170 L CB 1.109 43.197 42.059 0.050 0.000 1.215 170 L HN 0.428 nan 8.230 nan 0.000 0.425 171 V N 2.800 122.772 119.914 0.097 0.000 2.628 171 V HA 0.438 4.703 4.120 0.241 0.000 0.306 171 V C -0.132 176.060 176.094 0.164 0.000 1.045 171 V CA -0.828 61.556 62.300 0.139 0.000 0.905 171 V CB 2.337 34.256 31.823 0.160 0.000 0.997 171 V HN 0.550 nan 8.190 nan 0.000 0.436 172 K N 3.428 123.952 120.400 0.208 0.000 2.235 172 K HA 0.844 5.309 4.320 0.241 0.000 0.266 172 K C -0.555 176.211 176.600 0.276 0.000 0.980 172 K CA 0.030 56.440 56.287 0.206 0.000 0.849 172 K CB 1.408 34.015 32.500 0.179 0.000 1.098 172 K HN 0.893 nan 8.250 nan 0.000 0.445 173 A N 3.224 126.127 122.820 0.139 0.000 2.483 173 A HA 0.596 5.061 4.320 0.241 0.000 0.286 173 A C -0.667 176.946 177.584 0.049 0.000 1.207 173 A CA -0.722 51.291 52.037 -0.041 0.000 0.764 173 A CB 0.188 18.970 19.000 -0.364 0.000 1.341 173 A HN 0.910 nan 8.150 nan 0.000 0.428 174 W N 0.335 121.493 121.300 -0.237 0.000 2.783 174 W HA 0.395 5.194 4.660 0.233 0.000 0.287 174 W C -0.057 176.406 176.519 -0.093 0.000 1.085 174 W CA 0.870 58.130 57.345 -0.143 0.000 1.646 174 W CB 0.033 29.428 29.460 -0.108 0.000 1.135 174 W HN 0.520 nan 8.180 nan 0.000 0.548 175 K N -0.018 120.278 120.400 -0.174 0.000 2.435 175 K HA 0.665 5.130 4.320 0.241 0.000 0.251 175 K C -1.284 175.305 176.600 -0.019 0.000 0.954 175 K CA -0.782 55.386 56.287 -0.198 0.000 0.820 175 K CB 2.277 34.572 32.500 -0.340 0.000 1.292 175 K HN -0.116 nan 8.250 nan 0.000 0.436 176 A N 1.698 124.562 122.820 0.073 0.000 2.449 176 A HA 0.473 4.938 4.320 0.241 0.000 0.302 176 A C -1.307 176.352 177.584 0.125 0.000 1.048 176 A CA -0.866 51.249 52.037 0.131 0.000 0.708 176 A CB 0.983 19.999 19.000 0.027 0.000 1.274 176 A HN 0.801 nan 8.150 nan 0.000 0.410 177 D N 0.779 121.269 120.400 0.149 0.000 2.451 177 D HA 0.214 4.998 4.640 0.241 0.000 0.259 177 D C 0.630 176.982 176.300 0.085 0.000 1.201 177 D CA -0.414 53.546 54.000 -0.067 0.000 1.028 177 D CB 0.321 41.001 40.800 -0.201 0.000 1.095 177 D HN 0.507 nan 8.370 nan 0.000 0.539 178 Q N -0.824 119.009 119.800 0.055 0.000 2.488 178 Q HA 0.040 4.525 4.340 0.241 0.000 0.211 178 Q C 1.359 177.507 176.000 0.245 0.000 0.967 178 Q CA 0.907 56.797 55.803 0.145 0.000 0.926 178 Q CB -0.081 28.651 28.738 -0.011 0.000 0.992 178 Q HN 0.592 nan 8.270 nan 0.000 0.506 179 A N 0.039 122.969 122.820 0.184 0.000 2.147 179 A HA 0.334 4.799 4.320 0.241 0.000 0.211 179 A C 1.558 179.271 177.584 0.216 0.000 1.160 179 A CA 0.861 53.008 52.037 0.183 0.000 0.781 179 A CB 0.184 19.242 19.000 0.097 0.000 0.842 179 A HN 0.418 nan 8.150 nan 0.000 0.475 180 G N -0.892 108.015 108.800 0.179 0.000 2.175 180 G HA2 -0.169 3.936 3.960 0.241 0.000 0.182 180 G HA3 -0.169 3.936 3.960 0.241 0.000 0.182 180 G C -0.330 174.593 174.900 0.039 0.000 1.003 180 G CA -0.116 45.000 45.100 0.027 0.000 0.666 180 G HN 0.364 nan 8.290 nan 0.000 0.506 181 N N 0.501 119.263 118.700 0.104 0.000 2.488 181 N HA 0.498 5.383 4.740 0.241 0.000 0.274 181 N C 0.045 175.607 175.510 0.086 0.000 1.111 181 N CA 0.149 53.267 53.050 0.113 0.000 0.974 181 N CB 2.064 40.666 38.487 0.191 0.000 1.089 181 N HN 0.146 nan 8.380 nan 0.000 0.465 182 V N 1.008 120.883 119.914 -0.066 0.000 2.715 182 V HA 0.581 4.846 4.120 0.241 0.000 0.310 182 V C 0.422 176.216 176.094 -0.501 0.000 1.054 182 V CA -0.702 61.450 62.300 -0.246 0.000 0.928 182 V CB 1.979 33.647 31.823 -0.258 0.000 1.007 182 V HN 0.825 nan 8.190 nan 0.000 0.437 183 T N 0.087 114.237 114.554 -0.673 0.000 2.916 183 T HA 0.805 5.300 4.350 0.241 0.000 0.292 183 T C -1.111 173.339 174.700 -0.416 0.000 1.055 183 T CA -0.520 61.142 62.100 -0.729 0.000 1.009 183 T CB 1.693 69.948 68.868 -1.022 0.000 1.118 183 T HN 0.173 nan 8.240 nan 0.000 0.497 184 F N 0.273 120.493 119.950 0.451 0.000 2.522 184 F HA 0.659 5.310 4.527 0.207 0.000 0.324 184 F C 0.645 176.590 175.800 0.242 0.000 1.077 184 F CA -1.199 56.986 58.000 0.308 0.000 0.944 184 F CB 2.136 41.233 39.000 0.162 0.000 1.175 184 F HN 0.531 nan 8.300 nan 0.000 0.468 185 R N 3.214 123.799 120.500 0.141 0.000 2.229 185 R HA 0.368 4.853 4.340 0.241 0.000 0.332 185 R C -0.004 176.034 176.300 -0.437 0.000 0.989 185 R CA -0.206 55.699 56.100 -0.325 0.000 0.842 185 R CB 0.408 30.118 30.300 -0.983 0.000 1.119 185 R HN 0.804 nan 8.270 nan 0.000 0.456 186 K N 0.699 120.708 120.400 -0.650 0.000 1.931 186 K HA -0.309 4.155 4.320 0.241 0.000 0.126 186 K C 0.734 176.667 176.600 -1.111 0.000 1.372 186 K CA 1.826 57.219 56.287 -1.491 0.000 0.483 186 K CB -1.429 30.419 32.500 -1.087 0.000 0.562 186 K HN 0.730 nan 8.250 nan 0.000 0.923 187 S N 0.577 115.794 115.700 -0.806 0.000 2.650 187 S HA 0.195 4.809 4.470 0.241 0.000 0.219 187 S C 1.523 175.982 174.600 -0.236 0.000 0.960 187 S CA 0.639 58.601 58.200 -0.397 0.000 0.925 187 S CB 0.260 63.320 63.200 -0.232 0.000 0.775 187 S HN 0.595 nan 8.310 nan 0.000 0.525 188 A N 1.552 124.240 122.820 -0.219 0.000 2.206 188 A HA 0.174 4.638 4.320 0.241 0.000 0.211 188 A C 2.132 179.694 177.584 -0.036 0.000 1.158 188 A CA 0.522 52.514 52.037 -0.075 0.000 0.761 188 A CB -0.512 18.445 19.000 -0.072 0.000 0.801 188 A HN 0.597 nan 8.150 nan 0.000 0.473 189 R N 0.782 121.197 120.500 -0.142 0.000 2.092 189 R HA -0.214 4.271 4.340 0.241 0.000 0.226 189 R C 1.696 177.805 176.300 -0.318 0.000 1.140 189 R CA 2.111 58.007 56.100 -0.341 0.000 0.910 189 R CB -0.469 29.612 30.300 -0.364 0.000 0.822 189 R HN 0.688 nan 8.270 nan 0.000 0.433 190 N N -1.318 117.228 118.700 -0.258 0.000 1.320 190 N HA -0.359 4.525 4.740 0.241 0.000 0.139 190 N C 0.935 176.297 175.510 -0.247 0.000 0.550 190 N CA 2.582 55.514 53.050 -0.198 0.000 1.036 190 N CB -1.627 36.890 38.487 0.050 0.000 1.344 190 N HN 0.272 nan 8.380 nan 0.000 0.468 191 F N 0.283 120.198 119.950 -0.058 0.000 2.615 191 F HA 0.254 4.923 4.527 0.237 0.000 0.297 191 F C 2.204 177.935 175.800 -0.115 0.000 1.124 191 F CA 0.268 58.235 58.000 -0.054 0.000 1.451 191 F CB -0.323 38.689 39.000 0.020 0.000 1.103 191 F HN 0.270 nan 8.300 nan 0.000 0.569 192 N N 0.750 119.442 118.700 -0.014 0.000 2.094 192 N HA -0.215 4.670 4.740 0.241 0.000 0.191 192 N C 2.097 177.475 175.510 -0.220 0.000 1.023 192 N CA 1.279 54.288 53.050 -0.068 0.000 0.857 192 N CB -0.579 37.893 38.487 -0.024 0.000 1.013 192 N HN 0.343 nan 8.380 nan 0.000 0.426 193 L N 1.904 122.784 121.223 -0.572 0.000 1.976 193 L HA -0.062 4.423 4.340 0.241 0.000 0.209 193 L C -0.715 176.021 176.870 -0.222 0.000 1.071 193 L CA 1.520 56.077 54.840 -0.471 0.000 0.746 193 L CB -1.217 40.500 42.059 -0.570 0.000 0.890 193 L HN 0.111 nan 8.230 nan 0.000 0.432 194 P HA -0.195 nan 4.420 nan 0.000 0.217 194 P C 1.756 178.999 177.300 -0.095 0.000 1.150 194 P CA 1.777 64.787 63.100 -0.150 0.000 0.832 194 P CB -0.136 31.485 31.700 -0.132 0.000 0.787 195 M N -0.953 118.632 119.600 -0.026 0.000 2.279 195 M HA -0.113 4.512 4.480 0.241 0.000 0.264 195 M C 2.392 178.675 176.300 -0.029 0.000 1.062 195 M CA 1.164 56.471 55.300 0.012 0.000 1.099 195 M CB -1.041 31.599 32.600 0.067 0.000 1.394 195 M HN 0.035 nan 8.290 nan 0.000 0.426 196 C N 1.055 120.322 119.300 -0.055 0.000 2.472 196 C HA -0.058 4.547 4.460 0.241 0.000 0.278 196 C C 2.111 176.997 174.990 -0.173 0.000 1.447 196 C CA 0.933 59.910 59.018 -0.068 0.000 1.773 196 C CB -0.934 26.815 27.740 0.016 0.000 1.793 196 C HN 0.445 nan 8.230 nan 0.000 0.544 197 K N -0.254 119.997 120.400 -0.248 0.000 2.360 197 K HA 0.267 4.731 4.320 0.241 0.000 0.196 197 K C 1.197 177.751 176.600 -0.077 0.000 1.049 197 K CA 0.624 56.729 56.287 -0.302 0.000 1.049 197 K CB 0.297 32.446 32.500 -0.585 0.000 0.881 197 K HN 0.276 nan 8.250 nan 0.000 0.542 198 A N 1.212 124.001 122.820 -0.050 0.000 2.545 198 A HA 0.542 5.007 4.320 0.241 0.000 0.277 198 A C 0.191 177.786 177.584 0.019 0.000 1.301 198 A CA -0.268 51.771 52.037 0.002 0.000 0.935 198 A CB 0.204 19.211 19.000 0.011 0.000 1.093 198 A HN 0.183 nan 8.150 nan 0.000 0.519 199 A N -0.752 122.073 122.820 0.008 0.000 2.413 199 A HA 0.646 5.111 4.320 0.241 0.000 0.307 199 A C 0.659 178.257 177.584 0.025 0.000 1.087 199 A CA -0.411 51.630 52.037 0.007 0.000 0.750 199 A CB 0.832 19.825 19.000 -0.012 0.000 1.296 199 A HN 0.087 nan 8.150 nan 0.000 0.423 200 E N 0.523 120.722 120.200 -0.002 0.000 2.110 200 E HA -0.054 4.440 4.350 0.241 0.000 0.193 200 E C -0.089 176.535 176.600 0.041 0.000 0.988 200 E CA 1.517 57.923 56.400 0.010 0.000 0.804 200 E CB -0.023 29.645 29.700 -0.054 0.000 0.745 200 E HN 0.610 nan 8.360 nan 0.000 0.458 201 T N 1.485 115.931 114.554 -0.180 0.000 2.890 201 T HA 0.264 4.759 4.350 0.241 0.000 0.295 201 T C -0.355 174.208 174.700 -0.229 0.000 0.993 201 T CA -0.639 61.356 62.100 -0.174 0.000 0.979 201 T CB 1.723 70.062 68.868 -0.881 0.000 0.967 201 T HN 0.028 nan 8.240 nan 0.000 0.441 202 T N 0.353 114.795 114.554 -0.186 0.000 2.829 202 T HA 0.717 5.211 4.350 0.241 0.000 0.282 202 T C -0.244 174.417 174.700 -0.065 0.000 0.990 202 T CA -0.734 61.257 62.100 -0.182 0.000 1.028 202 T CB 1.045 69.725 68.868 -0.313 0.000 0.951 202 T HN 0.281 nan 8.240 nan 0.000 0.460 203 V N 3.622 123.545 119.914 0.015 0.000 2.444 203 V HA 0.529 4.794 4.120 0.241 0.000 0.294 203 V C -0.299 175.813 176.094 0.030 0.000 1.022 203 V CA -0.826 61.489 62.300 0.025 0.000 0.850 203 V CB 1.589 33.450 31.823 0.064 0.000 0.992 203 V HN 0.901 nan 8.190 nan 0.000 0.426 204 V N 4.995 124.919 119.914 0.016 0.000 2.495 204 V HA 0.511 4.775 4.120 0.241 0.000 0.298 204 V C -0.112 176.011 176.094 0.048 0.000 1.031 204 V CA -0.644 61.679 62.300 0.038 0.000 0.871 204 V CB 1.939 33.770 31.823 0.013 0.000 0.988 204 V HN 1.054 nan 8.190 nan 0.000 0.432 205 E N 4.528 124.784 120.200 0.093 0.000 2.158 205 E HA 0.726 5.221 4.350 0.241 0.000 0.271 205 E C -0.820 175.882 176.600 0.171 0.000 0.911 205 E CA -0.713 55.771 56.400 0.140 0.000 0.767 205 E CB 2.203 32.009 29.700 0.177 0.000 1.120 205 E HN 0.488 nan 8.360 nan 0.000 0.405 206 V N 0.182 120.195 119.914 0.166 0.000 3.103 206 V HA 0.404 4.669 4.120 0.241 0.000 0.318 206 V C 0.504 176.727 176.094 0.215 0.000 1.114 206 V CA -0.731 61.649 62.300 0.133 0.000 1.020 206 V CB 1.685 33.541 31.823 0.055 0.000 1.085 206 V HN 0.853 nan 8.190 nan 0.000 0.446 207 E N -0.149 120.137 120.200 0.143 0.000 2.276 207 E HA 0.235 4.730 4.350 0.241 0.000 0.193 207 E C -0.113 176.578 176.600 0.151 0.000 0.983 207 E CA 0.501 57.010 56.400 0.183 0.000 0.861 207 E CB 0.489 30.252 29.700 0.104 0.000 0.817 207 E HN 0.840 nan 8.360 nan 0.000 0.485 208 E N 0.140 120.377 120.200 0.062 0.000 2.383 208 E HA 0.446 4.941 4.350 0.241 0.000 0.275 208 E C -1.121 175.474 176.600 -0.008 0.000 0.918 208 E CA -0.472 55.934 56.400 0.010 0.000 0.764 208 E CB 2.640 32.298 29.700 -0.071 0.000 1.252 208 E HN -0.075 nan 8.360 nan 0.000 0.449 209 I N 2.557 123.128 120.570 0.003 0.000 2.389 209 I HA 0.325 4.640 4.170 0.241 0.000 0.288 209 I C -0.238 175.849 176.117 -0.051 0.000 0.999 209 I CA -0.964 60.345 61.300 0.014 0.000 1.129 209 I CB 1.427 39.476 38.000 0.081 0.000 1.288 209 I HN 0.290 nan 8.210 nan 0.000 0.444 210 V N 2.165 122.008 119.914 -0.119 0.000 3.096 210 V HA 0.571 4.836 4.120 0.241 0.000 0.319 210 V C -0.117 175.853 176.094 -0.208 0.000 1.103 210 V CA -0.870 61.304 62.300 -0.210 0.000 1.016 210 V CB 1.771 33.365 31.823 -0.382 0.000 1.090 210 V HN 0.490 nan 8.190 nan 0.000 0.449 211 D N 1.169 121.442 120.400 -0.213 0.000 2.357 211 D HA 0.281 5.065 4.640 0.241 0.000 0.242 211 D C 0.038 176.208 176.300 -0.218 0.000 1.153 211 D CA -0.075 53.822 54.000 -0.172 0.000 0.918 211 D CB 1.023 41.740 40.800 -0.137 0.000 1.181 211 D HN 0.383 nan 8.370 nan 0.000 0.435 212 I N 0.847 121.332 120.570 -0.141 0.000 2.587 212 I HA 0.144 4.459 4.170 0.241 0.000 0.284 212 I C 1.651 177.690 176.117 -0.129 0.000 1.134 212 I CA 0.578 61.805 61.300 -0.121 0.000 1.410 212 I CB -0.194 37.771 38.000 -0.059 0.000 1.392 212 I HN 0.776 nan 8.210 nan 0.000 0.545 213 G N 4.346 113.057 108.800 -0.149 0.000 2.255 213 G HA2 -0.237 3.868 3.960 0.241 0.000 0.196 213 G HA3 -0.237 3.868 3.960 0.241 0.000 0.196 213 G C 0.988 175.795 174.900 -0.154 0.000 0.998 213 G CA 0.221 45.254 45.100 -0.111 0.000 0.656 213 G HN 0.484 nan 8.290 nan 0.000 0.490 214 S N 0.076 115.589 115.700 -0.313 0.000 2.453 214 S HA 0.337 4.952 4.470 0.241 0.000 0.231 214 S C 0.533 174.969 174.600 -0.273 0.000 1.005 214 S CA 0.659 58.635 58.200 -0.373 0.000 0.949 214 S CB -0.087 62.755 63.200 -0.597 0.000 0.774 214 S HN 0.377 nan 8.310 nan 0.000 0.510 215 F N 1.017 120.925 119.950 -0.071 0.000 2.470 215 F HA 0.698 5.366 4.527 0.236 0.000 0.329 215 F C 0.426 176.204 175.800 -0.037 0.000 1.072 215 F CA -2.458 55.500 58.000 -0.070 0.000 0.989 215 F CB 0.498 39.441 39.000 -0.095 0.000 1.193 215 F HN -0.129 nan 8.300 nan 0.000 0.481 216 A N 3.657 126.589 122.820 0.187 0.000 2.401 216 A HA 0.420 4.885 4.320 0.241 0.000 0.259 216 A C -1.477 176.170 177.584 0.105 0.000 1.103 216 A CA -1.227 50.874 52.037 0.107 0.000 0.789 216 A CB -0.059 18.991 19.000 0.083 0.000 1.035 216 A HN 0.586 nan 8.150 nan 0.000 0.491 217 P HA -0.198 nan 4.420 nan 0.000 0.217 217 P C 0.493 177.831 177.300 0.064 0.000 1.148 217 P CA 1.477 64.620 63.100 0.072 0.000 0.828 217 P CB 0.251 31.982 31.700 0.051 0.000 0.783 218 E N -0.355 119.881 120.200 0.060 0.000 2.482 218 E HA -0.044 4.451 4.350 0.241 0.000 0.196 218 E C 0.552 177.195 176.600 0.072 0.000 1.047 218 E CA 0.599 57.034 56.400 0.058 0.000 0.869 218 E CB -0.335 29.394 29.700 0.048 0.000 0.836 218 E HN 0.361 nan 8.360 nan 0.000 0.520 219 D N 0.231 120.674 120.400 0.072 0.000 2.670 219 D HA 0.147 4.931 4.640 0.241 0.000 0.255 219 D C -0.264 176.022 176.300 -0.024 0.000 1.286 219 D CA -0.042 54.007 54.000 0.082 0.000 0.830 219 D CB 0.451 41.300 40.800 0.081 0.000 1.065 219 D HN 0.161 nan 8.370 nan 0.000 0.486 220 I N 0.946 121.513 120.570 -0.005 0.000 2.297 220 I HA 0.111 4.425 4.170 0.241 0.000 0.291 220 I C 1.508 177.667 176.117 0.071 0.000 1.033 220 I CA -0.434 60.795 61.300 -0.118 0.000 1.253 220 I CB 0.886 38.876 38.000 -0.017 0.000 1.396 220 I HN -0.001 nan 8.210 nan 0.000 0.476 221 H N 6.088 125.141 119.070 -0.028 0.000 2.357 221 H HA 0.090 4.784 4.556 0.230 0.000 0.301 221 H C 0.090 175.520 175.328 0.171 0.000 1.082 221 H CA 0.551 56.667 56.048 0.114 0.000 1.342 221 H CB 0.473 30.395 29.762 0.267 0.000 1.389 221 H HN 0.315 nan 8.280 nan 0.000 0.511 222 I N 1.413 122.134 120.570 0.252 0.000 2.476 222 I HA 0.231 4.546 4.170 0.241 0.000 0.281 222 I C -2.577 173.658 176.117 0.197 0.000 1.040 222 I CA -2.722 58.738 61.300 0.267 0.000 1.094 222 I CB 1.743 39.926 38.000 0.305 0.000 1.219 222 I HN -0.180 nan 8.210 nan 0.000 0.450 223 P HA 0.131 nan 4.420 nan 0.000 0.269 223 P C 0.788 178.145 177.300 0.095 0.000 1.209 223 P CA -0.303 62.873 63.100 0.125 0.000 0.776 223 P CB 0.645 32.390 31.700 0.075 0.000 0.876 224 K N 2.964 123.396 120.400 0.052 0.000 2.127 224 K HA -0.221 4.244 4.320 0.241 0.000 0.208 224 K C 1.752 178.360 176.600 0.014 0.000 1.047 224 K CA 1.664 57.975 56.287 0.040 0.000 0.927 224 K CB -1.076 31.452 32.500 0.047 0.000 0.716 224 K HN 0.325 nan 8.250 nan 0.000 0.450 225 I N 0.516 121.039 120.570 -0.078 0.000 2.399 225 I HA -0.302 4.013 4.170 0.241 0.000 0.254 225 I C 1.345 177.396 176.117 -0.111 0.000 1.146 225 I CA 1.426 62.635 61.300 -0.152 0.000 1.412 225 I CB 0.032 37.842 38.000 -0.317 0.000 1.076 225 I HN 0.164 nan 8.210 nan 0.000 0.432 226 Y N -0.121 120.211 120.300 0.053 0.000 2.517 226 Y HA 0.147 4.703 4.550 0.011 0.000 0.281 226 Y C 0.965 176.784 175.900 -0.136 0.000 1.125 226 Y CA -0.027 58.064 58.100 -0.015 0.000 1.283 226 Y CB -0.275 38.179 38.460 -0.011 0.000 1.042 226 Y HN -0.169 nan 8.280 nan 0.000 0.547 227 V N 1.497 121.468 119.914 0.094 0.000 2.322 227 V HA 0.048 4.312 4.120 0.241 0.000 0.258 227 V C 0.518 176.665 176.094 0.087 0.000 1.074 227 V CA -0.149 62.157 62.300 0.010 0.000 0.909 227 V CB -0.094 31.725 31.823 -0.008 0.000 1.090 227 V HN 0.482 nan 8.190 nan 0.000 0.486 228 H N 3.394 122.475 119.070 0.017 0.000 2.343 228 H HA 0.213 4.929 4.556 0.266 0.000 0.303 228 H C 0.736 176.087 175.328 0.040 0.000 1.068 228 H CA 0.434 56.491 56.048 0.015 0.000 1.359 228 H CB 0.425 30.183 29.762 -0.007 0.000 1.402 228 H HN 0.422 nan 8.280 nan 0.000 0.515 229 R N 0.867 121.454 120.500 0.147 0.000 2.621 229 R HA 0.455 4.939 4.340 0.241 0.000 0.292 229 R C -1.822 174.490 176.300 0.020 0.000 0.969 229 R CA -0.901 55.277 56.100 0.131 0.000 0.887 229 R CB 2.754 33.051 30.300 -0.006 0.000 1.180 229 R HN -0.015 nan 8.270 nan 0.000 0.450 230 L N 2.521 123.764 121.223 0.034 0.000 2.408 230 L HA 0.641 5.126 4.340 0.241 0.000 0.268 230 L C -1.560 175.354 176.870 0.073 0.000 0.986 230 L CA -0.822 53.987 54.840 -0.051 0.000 0.820 230 L CB 2.252 44.130 42.059 -0.302 0.000 1.303 230 L HN 0.444 nan 8.230 nan 0.000 0.411 231 V N 4.578 124.535 119.914 0.072 0.000 2.925 231 V HA 0.532 4.796 4.120 0.241 0.000 0.311 231 V C -0.988 175.177 176.094 0.120 0.000 1.104 231 V CA -0.809 61.566 62.300 0.124 0.000 0.954 231 V CB 2.198 34.077 31.823 0.095 0.000 1.022 231 V HN 0.894 nan 8.190 nan 0.000 0.427 232 K N 4.564 125.046 120.400 0.136 0.000 2.276 232 K HA 0.556 5.021 4.320 0.241 0.000 0.285 232 K C 0.396 177.077 176.600 0.136 0.000 1.062 232 K CA 0.083 56.459 56.287 0.149 0.000 0.918 232 K CB 0.803 33.386 32.500 0.137 0.000 1.055 232 K HN 1.036 nan 8.250 nan 0.000 0.477 233 G N 3.636 112.562 108.800 0.210 0.000 2.224 233 G HA2 -0.117 3.987 3.960 0.241 0.000 0.239 233 G HA3 -0.117 3.987 3.960 0.241 0.000 0.239 233 G C 0.128 174.966 174.900 -0.103 0.000 1.240 233 G CA -0.126 44.975 45.100 0.002 0.000 0.896 233 G HN 0.888 nan 8.290 nan 0.000 0.496 234 E N 0.692 120.782 120.200 -0.183 0.000 2.385 234 E HA 0.079 4.573 4.350 0.241 0.000 0.194 234 E C 0.916 177.427 176.600 -0.149 0.000 1.013 234 E CA 0.570 56.905 56.400 -0.108 0.000 0.866 234 E CB 0.346 30.006 29.700 -0.067 0.000 0.832 234 E HN 0.537 nan 8.360 nan 0.000 0.500 235 K N -0.068 120.129 120.400 -0.337 0.000 2.557 235 K HA 0.279 4.744 4.320 0.241 0.000 0.261 235 K C -2.172 174.151 176.600 -0.461 0.000 0.932 235 K CA -0.604 55.537 56.287 -0.243 0.000 0.829 235 K CB 1.304 33.734 32.500 -0.116 0.000 1.358 235 K HN -0.174 nan 8.250 nan 0.000 0.430 236 Y N 2.037 122.392 120.300 0.092 0.000 2.317 236 Y HA 0.213 4.906 4.550 0.238 0.000 0.325 236 Y C 0.456 176.423 175.900 0.111 0.000 1.066 236 Y CA -0.701 57.468 58.100 0.115 0.000 1.203 236 Y CB 2.115 40.638 38.460 0.105 0.000 1.127 236 Y HN 0.708 nan 8.280 nan 0.000 0.451 237 E N 1.897 122.279 120.200 0.304 0.000 2.060 237 E HA -0.023 4.472 4.350 0.241 0.000 0.189 237 E C -0.045 176.619 176.600 0.107 0.000 0.974 237 E CA 0.412 56.910 56.400 0.164 0.000 0.808 237 E CB 0.150 29.918 29.700 0.114 0.000 0.768 237 E HN 0.462 nan 8.360 nan 0.000 0.453 238 K N 1.588 122.116 120.400 0.213 0.000 3.653 238 K HA -0.194 4.271 4.320 0.241 0.000 0.275 238 K C -0.752 175.810 176.600 -0.063 0.000 0.962 238 K CA 0.174 56.535 56.287 0.123 0.000 0.773 238 K CB -1.052 31.496 32.500 0.080 0.000 1.463 238 K HN 0.166 nan 8.250 nan 0.000 0.450 239 R N 0.437 120.745 120.500 -0.319 0.000 2.694 239 R HA 0.293 4.778 4.340 0.241 0.000 0.268 239 R C 0.700 176.893 176.300 -0.178 0.000 1.061 239 R CA -0.002 55.864 56.100 -0.390 0.000 1.133 239 R CB 0.481 30.291 30.300 -0.817 0.000 1.020 239 R HN 0.241 nan 8.270 nan 0.000 0.475 240 I N 1.304 121.796 120.570 -0.131 0.000 2.378 240 I HA 0.062 4.377 4.170 0.241 0.000 0.291 240 I C 1.344 177.425 176.117 -0.060 0.000 0.992 240 I CA -0.212 61.049 61.300 -0.065 0.000 1.154 240 I CB 1.850 39.820 38.000 -0.049 0.000 1.315 240 I HN 0.753 nan 8.210 nan 0.000 0.448 241 E N 5.666 125.849 120.200 -0.028 0.000 2.015 241 E HA 0.004 4.498 4.350 0.241 0.000 0.191 241 E C 0.211 176.799 176.600 -0.021 0.000 0.991 241 E CA 1.097 57.487 56.400 -0.018 0.000 0.802 241 E CB 0.450 30.154 29.700 0.007 0.000 0.759 241 E HN 0.476 nan 8.360 nan 0.000 0.447 242 R N 0.678 121.167 120.500 -0.018 0.000 2.435 242 R HA 0.275 4.760 4.340 0.241 0.000 0.308 242 R C -1.349 174.921 176.300 -0.050 0.000 0.975 242 R CA -0.599 55.481 56.100 -0.033 0.000 0.867 242 R CB 1.538 31.822 30.300 -0.027 0.000 1.171 242 R HN 0.046 nan 8.270 nan 0.000 0.470 243 L N 2.906 124.093 121.223 -0.061 0.000 2.401 243 L HA 0.203 4.687 4.340 0.241 0.000 0.283 243 L C -0.583 176.219 176.870 -0.113 0.000 1.151 243 L CA 0.418 55.218 54.840 -0.067 0.000 0.942 243 L CB 0.630 42.657 42.059 -0.054 0.000 1.283 243 L HN 0.494 nan 8.230 nan 0.000 0.442 244 S N 3.553 119.156 115.700 -0.162 0.000 2.411 244 S HA 0.640 5.254 4.470 0.241 0.000 0.294 244 S C -0.153 174.325 174.600 -0.203 0.000 1.115 244 S CA -0.598 57.400 58.200 -0.337 0.000 1.071 244 S CB 0.956 63.734 63.200 -0.703 0.000 0.967 244 S HN 0.329 nan 8.310 nan 0.000 0.488 245 V N 3.796 123.626 119.914 -0.140 0.000 3.074 245 V HA 0.686 4.951 4.120 0.241 0.000 0.314 245 V C 0.116 176.220 176.094 0.016 0.000 1.117 245 V CA -1.215 61.072 62.300 -0.022 0.000 1.014 245 V CB 2.171 33.982 31.823 -0.020 0.000 1.057 245 V HN 0.914 nan 8.190 nan 0.000 0.438 246 R N 1.228 121.762 120.500 0.057 0.000 3.029 246 R HA 0.764 5.248 4.340 0.241 0.000 0.239 246 R C -0.782 175.535 176.300 0.028 0.000 1.351 246 R CA -0.919 55.216 56.100 0.058 0.000 1.052 246 R CB 1.996 32.349 30.300 0.088 0.000 1.354 246 R HN 0.609 nan 8.270 nan 0.000 0.499 262 V N 2.105 121.930 119.914 -0.148 0.000 2.252 262 V HA -0.256 4.008 4.120 0.241 0.000 0.249 262 V C 2.450 178.462 176.094 -0.137 0.000 1.056 262 V CA 2.516 64.709 62.300 -0.179 0.000 1.022 262 V CB -0.435 31.319 31.823 -0.116 0.000 0.641 262 V HN 0.342 nan 8.190 nan 0.000 0.445 263 R N -0.035 120.421 120.500 -0.072 0.000 2.096 263 R HA -0.218 4.266 4.340 0.241 0.000 0.235 263 R C 2.353 178.636 176.300 -0.028 0.000 1.127 263 R CA 2.063 58.143 56.100 -0.032 0.000 0.968 263 R CB -0.348 29.951 30.300 -0.000 0.000 0.861 263 R HN 0.696 nan 8.270 nan 0.000 0.440 264 E N 0.352 120.529 120.200 -0.040 0.000 2.110 264 E HA -0.231 4.263 4.350 0.241 0.000 0.193 264 E C 2.024 178.574 176.600 -0.083 0.000 0.988 264 E CA 1.125 57.507 56.400 -0.030 0.000 0.804 264 E CB 0.078 29.761 29.700 -0.029 0.000 0.745 264 E HN 0.343 nan 8.360 nan 0.000 0.458 265 R N 0.104 120.509 120.500 -0.159 0.000 2.081 265 R HA -0.086 4.399 4.340 0.241 0.000 0.235 265 R C 2.484 178.717 176.300 -0.112 0.000 1.131 265 R CA 1.625 57.594 56.100 -0.217 0.000 0.960 265 R CB -0.217 29.753 30.300 -0.550 0.000 0.856 265 R HN 0.287 nan 8.270 nan 0.000 0.436 266 I N 0.297 120.813 120.570 -0.090 0.000 2.252 266 I HA -0.272 4.042 4.170 0.241 0.000 0.245 266 I C 2.105 178.221 176.117 -0.001 0.000 1.102 266 I CA 1.303 62.582 61.300 -0.034 0.000 1.385 266 I CB -0.269 37.721 38.000 -0.018 0.000 1.064 266 I HN 0.141 nan 8.210 nan 0.000 0.414 267 I N 0.760 121.340 120.570 0.018 0.000 2.226 267 I HA -0.282 4.032 4.170 0.241 0.000 0.245 267 I C 2.422 178.558 176.117 0.032 0.000 1.100 267 I CA 1.557 62.907 61.300 0.082 0.000 1.374 267 I CB -0.360 37.741 38.000 0.168 0.000 1.057 267 I HN 0.155 nan 8.210 nan 0.000 0.413 268 K N 0.070 120.412 120.400 -0.096 0.000 2.217 268 K HA -0.154 4.310 4.320 0.241 0.000 0.202 268 K C 2.210 178.768 176.600 -0.069 0.000 1.051 268 K CA 0.701 56.868 56.287 -0.200 0.000 0.952 268 K CB -0.012 32.336 32.500 -0.253 0.000 0.736 268 K HN 0.041 nan 8.250 nan 0.000 0.453 269 R N 1.257 121.746 120.500 -0.017 0.000 2.080 269 R HA 0.078 4.562 4.340 0.241 0.000 0.222 269 R C 1.861 178.151 176.300 -0.016 0.000 1.107 269 R CA 1.457 57.557 56.100 0.000 0.000 0.980 269 R CB -0.667 29.646 30.300 0.020 0.000 0.879 269 R HN 0.093 nan 8.270 nan 0.000 0.439 270 A N 0.632 123.445 122.820 -0.012 0.000 1.978 270 A HA -0.069 4.396 4.320 0.241 0.000 0.220 270 A C 2.304 179.839 177.584 -0.083 0.000 1.170 270 A CA 1.796 53.804 52.037 -0.049 0.000 0.636 270 A CB -1.004 17.993 19.000 -0.006 0.000 0.810 270 A HN 0.465 nan 8.150 nan 0.000 0.448 271 A N -0.505 122.362 122.820 0.078 0.000 2.070 271 A HA 0.059 4.524 4.320 0.241 0.000 0.220 271 A C 1.869 179.563 177.584 0.183 0.000 1.159 271 A CA 1.179 53.377 52.037 0.268 0.000 0.656 271 A CB -0.493 18.713 19.000 0.343 0.000 0.800 271 A HN 0.488 nan 8.150 nan 0.000 0.453 272 L N -0.426 120.820 121.223 0.037 0.000 2.599 272 L HA 0.003 4.488 4.340 0.241 0.000 0.230 272 L C 1.697 178.542 176.870 -0.040 0.000 1.141 272 L CA 0.165 55.018 54.840 0.022 0.000 0.877 272 L CB -0.206 41.855 42.059 0.003 0.000 1.009 272 L HN 0.295 nan 8.230 nan 0.000 0.447 273 E N 0.077 120.170 120.200 -0.178 0.000 2.371 273 E HA 0.036 4.531 4.350 0.241 0.000 0.194 273 E C 0.285 176.755 176.600 -0.217 0.000 1.012 273 E CA 0.262 56.518 56.400 -0.239 0.000 0.860 273 E CB 0.118 29.601 29.700 -0.362 0.000 0.811 273 E HN 0.202 nan 8.360 nan 0.000 0.502 274 F N 1.864 121.818 119.950 0.007 0.000 2.471 274 F HA 0.143 4.814 4.527 0.240 0.000 0.353 274 F C 1.029 176.817 175.800 -0.020 0.000 1.113 274 F CA 0.084 58.079 58.000 -0.010 0.000 1.262 274 F CB 0.555 39.547 39.000 -0.014 0.000 1.146 274 F HN -0.233 nan 8.300 nan 0.000 0.578 275 E N -0.035 120.267 120.200 0.171 0.000 2.392 275 E HA 0.230 4.724 4.350 0.241 0.000 0.269 275 E C -1.685 174.923 176.600 0.013 0.000 0.924 275 E CA -1.208 55.233 56.400 0.068 0.000 0.784 275 E CB 1.684 31.409 29.700 0.042 0.000 1.292 275 E HN 0.401 nan 8.360 nan 0.000 0.447 276 D N -0.279 120.110 120.400 -0.018 0.000 2.417 276 D HA 0.270 5.054 4.640 0.241 0.000 0.250 276 D C 0.858 177.106 176.300 -0.087 0.000 1.166 276 D CA 1.756 55.716 54.000 -0.066 0.000 0.881 276 D CB 0.475 41.247 40.800 -0.046 0.000 1.164 276 D HN 0.638 nan 8.370 nan 0.000 0.467 277 G N 3.443 112.139 108.800 -0.174 0.000 2.159 277 G HA2 -0.315 3.790 3.960 0.241 0.000 0.256 277 G HA3 -0.315 3.790 3.960 0.241 0.000 0.256 277 G C 0.501 175.252 174.900 -0.249 0.000 0.977 277 G CA 0.394 45.386 45.100 -0.181 0.000 0.652 277 G HN 0.621 nan 8.290 nan 0.000 0.531 278 M N 0.350 119.830 119.600 -0.200 0.000 2.243 278 M HA 0.612 5.237 4.480 0.241 0.000 0.341 278 M C -0.474 175.701 176.300 -0.209 0.000 1.130 278 M CA -0.344 54.884 55.300 -0.119 0.000 1.162 278 M CB 0.397 33.013 32.600 0.027 0.000 1.497 278 M HN 0.094 nan 8.290 nan 0.000 0.456 279 Y N 3.350 123.734 120.300 0.139 0.000 2.331 279 Y HA 0.683 5.378 4.550 0.242 0.000 0.338 279 Y C 0.005 175.975 175.900 0.117 0.000 0.976 279 Y CA -0.496 57.688 58.100 0.139 0.000 1.137 279 Y CB 1.463 39.984 38.460 0.101 0.000 1.172 279 Y HN 0.782 nan 8.280 nan 0.000 0.478 280 A N 3.195 126.165 122.820 0.251 0.000 2.515 280 A HA 0.623 5.087 4.320 0.241 0.000 0.296 280 A C -1.426 176.257 177.584 0.166 0.000 1.094 280 A CA -0.887 51.274 52.037 0.207 0.000 0.718 280 A CB 1.790 20.951 19.000 0.269 0.000 1.307 280 A HN 0.636 nan 8.150 nan 0.000 0.408 281 N N 1.369 120.147 118.700 0.130 0.000 2.399 281 N HA 0.573 5.457 4.740 0.241 0.000 0.280 281 N C -1.655 173.917 175.510 0.103 0.000 1.008 281 N CA -0.207 52.899 53.050 0.094 0.000 0.894 281 N CB 1.015 39.536 38.487 0.057 0.000 1.273 281 N HN 0.611 nan 8.380 nan 0.000 0.486 282 L N 1.656 122.943 121.223 0.107 0.000 2.346 282 L HA 0.618 5.103 4.340 0.241 0.000 0.274 282 L C 1.238 178.162 176.870 0.090 0.000 1.007 282 L CA -1.181 53.727 54.840 0.113 0.000 0.818 282 L CB 1.823 43.976 42.059 0.157 0.000 1.284 282 L HN 0.417 nan 8.230 nan 0.000 0.424 283 G N 1.731 110.581 108.800 0.084 0.000 2.537 283 G HA2 0.516 4.621 3.960 0.241 0.000 0.273 283 G HA3 0.516 4.621 3.960 0.241 0.000 0.273 283 G C 0.006 174.954 174.900 0.080 0.000 1.189 283 G CA -0.764 44.381 45.100 0.076 0.000 0.881 283 G HN 0.684 nan 8.290 nan 0.000 0.535 284 I N -0.536 120.079 120.570 0.075 0.000 2.754 284 I HA 0.576 4.890 4.170 0.241 0.000 0.285 284 I C 0.980 177.145 176.117 0.079 0.000 1.166 284 I CA 0.345 61.695 61.300 0.083 0.000 1.417 284 I CB 0.489 38.535 38.000 0.078 0.000 1.382 284 I HN 1.115 nan 8.210 nan 0.000 0.588 285 G N 4.168 113.020 108.800 0.087 0.000 2.715 285 G HA2 -0.227 3.878 3.960 0.241 0.000 0.221 285 G HA3 -0.227 3.878 3.960 0.241 0.000 0.221 285 G C 0.340 175.292 174.900 0.087 0.000 1.204 285 G CA -0.026 45.122 45.100 0.079 0.000 1.063 285 G HN 0.671 nan 8.290 nan 0.000 0.586 286 I N 2.610 123.228 120.570 0.079 0.000 2.127 286 I HA -0.117 4.197 4.170 0.241 0.000 0.241 286 I C 0.091 176.272 176.117 0.107 0.000 1.075 286 I CA 2.442 63.795 61.300 0.087 0.000 1.334 286 I CB -1.112 36.928 38.000 0.066 0.000 1.040 286 I HN 0.320 nan 8.210 nan 0.000 0.405 287 P HA -0.205 nan 4.420 nan 0.000 0.214 287 P C 1.870 179.271 177.300 0.167 0.000 1.163 287 P CA 1.318 64.489 63.100 0.118 0.000 0.889 287 P CB -0.003 31.753 31.700 0.094 0.000 0.790 288 L N -1.114 120.186 121.223 0.128 0.000 2.083 288 L HA -0.123 4.361 4.340 0.241 0.000 0.209 288 L C 2.204 179.123 176.870 0.082 0.000 1.083 288 L CA 1.634 56.535 54.840 0.101 0.000 0.752 288 L CB -1.291 40.816 42.059 0.080 0.000 0.899 288 L HN -0.115 nan 8.230 nan 0.000 0.433 289 L N -0.988 120.297 121.223 0.102 0.000 2.131 289 L HA -0.189 4.295 4.340 0.241 0.000 0.210 289 L C 2.566 179.512 176.870 0.127 0.000 1.092 289 L CA 1.033 55.925 54.840 0.088 0.000 0.759 289 L CB -0.812 41.320 42.059 0.122 0.000 0.903 289 L HN 0.354 nan 8.230 nan 0.000 0.435 290 A N -0.005 122.959 122.820 0.240 0.000 1.969 290 A HA -0.177 4.287 4.320 0.241 0.000 0.218 290 A C 2.479 180.280 177.584 0.361 0.000 1.169 290 A CA 1.574 53.854 52.037 0.405 0.000 0.635 290 A CB -0.560 18.680 19.000 0.400 0.000 0.810 290 A HN 0.517 nan 8.150 nan 0.000 0.445 291 S N 0.542 116.339 115.700 0.162 0.000 2.469 291 S HA -0.158 4.456 4.470 0.241 0.000 0.238 291 S C 1.466 175.935 174.600 -0.219 0.000 0.998 291 S CA 1.191 59.273 58.200 -0.197 0.000 0.957 291 S CB -0.610 62.444 63.200 -0.244 0.000 0.764 291 S HN 0.585 nan 8.310 nan 0.000 0.514 292 N N 0.890 119.456 118.700 -0.224 0.000 2.396 292 N HA 0.073 4.957 4.740 0.241 0.000 0.180 292 N C 0.202 175.438 175.510 -0.456 0.000 1.028 292 N CA 0.819 53.633 53.050 -0.395 0.000 0.893 292 N CB -0.344 37.811 38.487 -0.552 0.000 0.967 292 N HN 0.516 nan 8.380 nan 0.000 0.440 293 F N 0.672 120.618 119.950 -0.007 0.000 2.660 293 F HA 0.352 5.024 4.527 0.241 0.000 0.302 293 F C 0.804 176.603 175.800 -0.002 0.000 1.103 293 F CA -0.493 57.514 58.000 0.013 0.000 1.340 293 F CB -0.132 38.902 39.000 0.057 0.000 1.048 293 F HN -0.185 nan 8.300 nan 0.000 0.551 294 I N -0.062 120.525 120.570 0.028 0.000 2.588 294 I HA -0.002 4.313 4.170 0.241 0.000 0.283 294 I C 1.079 177.174 176.117 -0.037 0.000 1.119 294 I CA -0.232 61.039 61.300 -0.048 0.000 1.419 294 I CB 0.761 38.588 38.000 -0.288 0.000 1.394 294 I HN -0.061 nan 8.210 nan 0.000 0.562 295 S N 6.804 122.499 115.700 -0.009 0.000 2.560 295 S HA 0.116 4.731 4.470 0.241 0.000 0.284 295 S C -1.531 173.039 174.600 -0.050 0.000 1.327 295 S CA -0.907 57.285 58.200 -0.013 0.000 1.055 295 S CB 0.783 63.982 63.200 -0.001 0.000 0.868 295 S HN 0.380 nan 8.310 nan 0.000 0.506 296 P HA 0.074 nan 4.420 nan 0.000 0.229 296 P C 0.531 177.799 177.300 -0.054 0.000 1.160 296 P CA 0.558 63.625 63.100 -0.055 0.000 0.777 296 P CB 0.101 31.777 31.700 -0.041 0.000 0.814 297 N N -1.075 117.600 118.700 -0.042 0.000 2.398 297 N HA 0.053 4.937 4.740 0.241 0.000 0.188 297 N C 0.546 176.026 175.510 -0.051 0.000 1.122 297 N CA 0.311 53.338 53.050 -0.039 0.000 0.866 297 N CB 0.152 38.624 38.487 -0.024 0.000 0.970 297 N HN 0.290 nan 8.380 nan 0.000 0.462 298 M N 0.672 120.232 119.600 -0.068 0.000 2.436 298 M HA 0.226 4.850 4.480 0.241 0.000 0.331 298 M C -1.074 175.138 176.300 -0.146 0.000 1.135 298 M CA -0.261 54.986 55.300 -0.089 0.000 0.987 298 M CB 1.552 34.112 32.600 -0.068 0.000 1.687 298 M HN -0.247 nan 8.290 nan 0.000 0.445 299 T N 4.173 118.614 114.554 -0.188 0.000 2.770 299 T HA 0.534 5.029 4.350 0.241 0.000 0.297 299 T C -0.839 173.591 174.700 -0.451 0.000 0.997 299 T CA -0.540 61.373 62.100 -0.313 0.000 0.949 299 T CB 0.708 69.391 68.868 -0.308 0.000 0.941 299 T HN 0.471 nan 8.240 nan 0.000 0.457 300 V N 4.891 124.524 119.914 -0.468 0.000 2.444 300 V HA 0.307 4.572 4.120 0.241 0.000 0.294 300 V C -0.356 175.464 176.094 -0.457 0.000 1.022 300 V CA -1.013 61.025 62.300 -0.438 0.000 0.850 300 V CB 1.166 32.764 31.823 -0.375 0.000 0.992 300 V HN 0.828 nan 8.190 nan 0.000 0.426 301 H N 5.621 124.565 119.070 -0.210 0.000 2.761 301 H HA 0.426 5.127 4.556 0.242 0.000 0.284 301 H C -0.372 174.961 175.328 0.010 0.000 1.105 301 H CA -0.237 55.745 56.048 -0.111 0.000 1.352 301 H CB 1.140 30.808 29.762 -0.157 0.000 1.423 301 H HN 0.444 nan 8.280 nan 0.000 0.464 302 L N 3.129 124.404 121.223 0.086 0.000 2.276 302 L HA 0.234 4.718 4.340 0.241 0.000 0.286 302 L C 0.698 177.620 176.870 0.087 0.000 1.061 302 L CA -0.262 54.620 54.840 0.069 0.000 0.807 302 L CB 1.162 43.214 42.059 -0.012 0.000 1.177 302 L HN 0.418 nan 8.230 nan 0.000 0.429 303 Q N 2.109 121.968 119.800 0.098 0.000 2.266 303 Q HA 0.404 4.888 4.340 0.241 0.000 0.261 303 Q C -1.286 174.721 176.000 0.011 0.000 0.985 303 Q CA -0.263 55.582 55.803 0.071 0.000 0.873 303 Q CB 2.368 31.162 28.738 0.092 0.000 1.306 303 Q HN 0.597 nan 8.270 nan 0.000 0.447 304 S N 1.387 117.063 115.700 -0.039 0.000 2.502 304 S HA 0.146 4.761 4.470 0.241 0.000 0.304 304 S C 0.751 175.245 174.600 -0.177 0.000 1.097 304 S CA -0.569 57.576 58.200 -0.091 0.000 1.045 304 S CB 0.939 64.075 63.200 -0.106 0.000 1.019 304 S HN 0.688 nan 8.310 nan 0.000 0.481 305 E N 3.535 123.605 120.200 -0.217 0.000 2.338 305 E HA -0.166 4.329 4.350 0.241 0.000 0.197 305 E C 0.745 177.098 176.600 -0.412 0.000 1.007 305 E CA 0.866 57.023 56.400 -0.404 0.000 0.849 305 E CB -0.472 29.018 29.700 -0.351 0.000 0.774 305 E HN 0.728 nan 8.360 nan 0.000 0.506 306 N N 1.198 119.571 118.700 -0.545 0.000 2.521 306 N HA -0.002 4.883 4.740 0.241 0.000 0.188 306 N C 0.867 176.063 175.510 -0.524 0.000 1.146 306 N CA 0.906 53.452 53.050 -0.840 0.000 0.893 306 N CB 0.363 37.858 38.487 -1.654 0.000 0.975 306 N HN 0.310 nan 8.380 nan 0.000 0.451 307 G N 0.164 108.695 108.800 -0.449 0.000 2.245 307 G HA2 -0.077 4.028 3.960 0.241 0.000 0.130 307 G HA3 -0.077 4.028 3.960 0.241 0.000 0.130 307 G C -0.663 173.599 174.900 -1.063 0.000 1.040 307 G CA -0.348 44.334 45.100 -0.697 0.000 0.713 307 G HN 0.319 nan 8.290 nan 0.000 0.488 308 I N -0.262 119.879 120.570 -0.715 0.000 2.619 308 I HA 0.669 4.984 4.170 0.241 0.000 0.292 308 I C -0.772 175.215 176.117 -0.217 0.000 1.100 308 I CA -1.319 59.680 61.300 -0.502 0.000 1.043 308 I CB 2.169 40.048 38.000 -0.201 0.000 1.239 308 I HN 0.061 nan 8.210 nan 0.000 0.420 309 L N 5.278 126.417 121.223 -0.141 0.000 2.372 309 L HA 0.826 5.310 4.340 0.241 0.000 0.274 309 L C 0.246 177.096 176.870 -0.033 0.000 0.988 309 L CA 0.250 55.123 54.840 0.054 0.000 0.833 309 L CB 1.469 43.649 42.059 0.202 0.000 1.236 309 L HN 0.842 nan 8.230 nan 0.000 0.410 310 G N 4.378 113.183 108.800 0.008 0.000 2.186 310 G HA2 -0.140 3.965 3.960 0.241 0.000 0.130 310 G HA3 -0.140 3.965 3.960 0.241 0.000 0.130 310 G C -0.115 174.752 174.900 -0.054 0.000 1.031 310 G CA -0.238 44.857 45.100 -0.007 0.000 0.697 310 G HN 0.605 nan 8.290 nan 0.000 0.494 311 L N 0.579 121.771 121.223 -0.051 0.000 2.559 311 L HA 0.404 4.888 4.340 0.241 0.000 0.282 311 L C 1.492 178.310 176.870 -0.087 0.000 1.232 311 L CA 1.013 55.812 54.840 -0.067 0.000 0.885 311 L CB 0.450 42.471 42.059 -0.062 0.000 1.131 311 L HN 0.350 nan 8.230 nan 0.000 0.498 312 G N 3.325 112.071 108.800 -0.090 0.000 2.938 312 G HA2 0.647 4.752 3.960 0.241 0.000 0.258 312 G HA3 0.647 4.752 3.960 0.241 0.000 0.258 312 G C -2.611 172.193 174.900 -0.159 0.000 1.356 312 G CA -0.812 44.223 45.100 -0.108 0.000 1.052 312 G HN 0.438 nan 8.290 nan 0.000 0.550 313 P HA 0.199 nan 4.420 nan 0.000 0.277 313 P C -0.894 176.287 177.300 -0.200 0.000 1.276 313 P CA -0.413 62.535 63.100 -0.254 0.000 0.788 313 P CB 0.515 32.116 31.700 -0.166 0.000 1.114 314 Y N -0.119 120.162 120.300 -0.030 0.000 2.457 314 Y HA 0.133 4.827 4.550 0.240 0.000 0.341 314 Y C -1.270 174.619 175.900 -0.019 0.000 1.240 314 Y CA -1.788 56.300 58.100 -0.020 0.000 1.437 314 Y CB -1.179 37.270 38.460 -0.019 0.000 1.328 314 Y HN 0.302 nan 8.280 nan 0.000 0.588 315 P HA 0.169 nan 4.420 nan 0.000 0.277 315 P C -0.625 176.712 177.300 0.061 0.000 1.240 315 P CA -0.225 62.922 63.100 0.079 0.000 0.798 315 P CB 1.154 32.890 31.700 0.060 0.000 0.979 316 L N 1.285 122.530 121.223 0.036 0.000 2.475 316 L HA 0.128 4.613 4.340 0.241 0.000 0.253 316 L C 2.593 179.473 176.870 0.017 0.000 1.198 316 L CA -0.186 54.668 54.840 0.024 0.000 0.814 316 L CB -0.202 41.866 42.059 0.015 0.000 1.134 316 L HN 0.509 nan 8.230 nan 0.000 0.478 317 Q N 1.366 121.172 119.800 0.010 0.000 2.096 317 Q HA -0.258 4.227 4.340 0.241 0.000 0.208 317 Q C 1.412 177.415 176.000 0.005 0.000 0.993 317 Q CA 2.286 58.092 55.803 0.004 0.000 0.862 317 Q CB -0.131 28.608 28.738 0.002 0.000 0.915 317 Q HN 0.804 nan 8.270 nan 0.000 0.416 318 N N -0.534 118.170 118.700 0.006 0.000 2.515 318 N HA -0.105 4.780 4.740 0.241 0.000 0.191 318 N C 0.275 175.790 175.510 0.007 0.000 1.182 318 N CA 0.658 53.712 53.050 0.006 0.000 0.879 318 N CB 0.218 38.709 38.487 0.008 0.000 0.984 318 N HN 0.438 nan 8.380 nan 0.000 0.453 319 E N -0.081 120.125 120.200 0.009 0.000 2.473 319 E HA 0.138 4.632 4.350 0.241 0.000 0.204 319 E C -0.245 176.360 176.600 0.008 0.000 0.994 319 E CA -0.231 56.175 56.400 0.011 0.000 0.945 319 E CB 1.017 30.727 29.700 0.016 0.000 0.990 319 E HN 0.071 nan 8.360 nan 0.000 0.493 320 V N 2.900 122.818 119.914 0.007 0.000 2.539 320 V HA -0.059 4.206 4.120 0.241 0.000 0.300 320 V C 0.049 176.136 176.094 -0.011 0.000 1.019 320 V CA 0.729 63.031 62.300 0.002 0.000 1.160 320 V CB 0.205 32.025 31.823 -0.004 0.000 0.901 320 V HN 0.127 nan 8.190 nan 0.000 0.481 321 D N 3.755 124.145 120.400 -0.016 0.000 2.788 321 D HA 0.492 5.276 4.640 0.241 0.000 0.247 321 D C 0.584 176.860 176.300 -0.040 0.000 1.236 321 D CA -0.160 53.816 54.000 -0.040 0.000 0.898 321 D CB 2.241 43.005 40.800 -0.059 0.000 1.401 321 D HN 0.484 nan 8.370 nan 0.000 0.549 322 A N 3.294 126.088 122.820 -0.044 0.000 2.125 322 A HA -0.126 4.339 4.320 0.241 0.000 0.219 322 A C 1.255 178.817 177.584 -0.037 0.000 1.156 322 A CA 1.076 53.095 52.037 -0.030 0.000 0.671 322 A CB 0.074 19.060 19.000 -0.024 0.000 0.794 322 A HN 0.499 nan 8.150 nan 0.000 0.459 323 D N -1.410 118.936 120.400 -0.090 0.000 2.339 323 D HA 0.140 4.924 4.640 0.241 0.000 0.217 323 D C -0.289 175.922 176.300 -0.148 0.000 1.050 323 D CA 0.295 54.214 54.000 -0.136 0.000 0.856 323 D CB 0.473 41.125 40.800 -0.245 0.000 0.922 323 D HN 0.317 nan 8.370 nan 0.000 0.518 324 L N 2.033 123.203 121.223 -0.089 0.000 2.366 324 L HA 0.382 4.867 4.340 0.241 0.000 0.266 324 L C -0.656 176.222 176.870 0.013 0.000 1.010 324 L CA -0.722 54.085 54.840 -0.055 0.000 0.879 324 L CB 0.362 42.402 42.059 -0.032 0.000 1.228 324 L HN -0.105 nan 8.230 nan 0.000 0.439 325 I N 1.079 121.671 120.570 0.037 0.000 2.934 325 I HA 0.727 5.042 4.170 0.241 0.000 0.306 325 I C -0.544 175.630 176.117 0.096 0.000 1.110 325 I CA -0.913 60.442 61.300 0.092 0.000 1.019 325 I CB 2.093 40.176 38.000 0.138 0.000 1.227 325 I HN 0.516 nan 8.210 nan 0.000 0.434 326 N N 2.848 121.624 118.700 0.126 0.000 2.476 326 N HA 0.417 5.301 4.740 0.241 0.000 0.287 326 N C 0.764 176.392 175.510 0.196 0.000 1.262 326 N CA -0.178 52.934 53.050 0.104 0.000 0.980 326 N CB 0.473 39.023 38.487 0.105 0.000 1.163 326 N HN 0.812 nan 8.380 nan 0.000 0.592 327 A N -1.208 121.711 122.820 0.165 0.000 2.070 327 A HA 0.091 4.555 4.320 0.241 0.000 0.220 327 A C 1.730 179.473 177.584 0.265 0.000 1.159 327 A CA 1.423 53.645 52.037 0.308 0.000 0.656 327 A CB -1.421 17.691 19.000 0.187 0.000 0.800 327 A HN 0.796 nan 8.150 nan 0.000 0.453 328 G N -1.331 107.566 108.800 0.162 0.000 3.181 328 G HA2 0.286 4.391 3.960 0.241 0.000 0.219 328 G HA3 0.286 4.391 3.960 0.241 0.000 0.219 328 G C 0.537 175.496 174.900 0.098 0.000 1.182 328 G CA 0.276 45.434 45.100 0.096 0.000 0.791 328 G HN 0.435 nan 8.290 nan 0.000 0.537 329 K N -0.336 120.155 120.400 0.153 0.000 3.129 329 K HA -0.181 4.284 4.320 0.241 0.000 0.273 329 K C -0.006 176.647 176.600 0.088 0.000 1.123 329 K CA 0.965 57.325 56.287 0.121 0.000 0.800 329 K CB -1.509 31.021 32.500 0.050 0.000 1.238 329 K HN 0.597 nan 8.250 nan 0.000 0.492 330 E N 0.523 120.786 120.200 0.104 0.000 2.204 330 E HA 0.241 4.735 4.350 0.241 0.000 0.276 330 E C 0.124 176.784 176.600 0.100 0.000 0.974 330 E CA -0.547 55.895 56.400 0.071 0.000 0.815 330 E CB 1.143 30.899 29.700 0.093 0.000 1.119 330 E HN 0.266 nan 8.360 nan 0.000 0.393 331 T N -0.686 113.901 114.554 0.056 0.000 2.901 331 T HA 0.351 4.845 4.350 0.241 0.000 0.301 331 T C 0.407 175.202 174.700 0.160 0.000 1.012 331 T CA -0.754 61.390 62.100 0.074 0.000 1.135 331 T CB 0.389 69.275 68.868 0.030 0.000 0.936 331 T HN 0.301 nan 8.240 nan 0.000 0.539 332 V N -0.305 119.689 119.914 0.133 0.000 3.087 332 V HA 0.997 5.261 4.120 0.241 0.000 0.311 332 V C -0.041 176.095 176.094 0.071 0.000 1.333 332 V CA -0.583 61.799 62.300 0.137 0.000 1.054 332 V CB 1.405 33.283 31.823 0.091 0.000 1.123 332 V HN 1.314 nan 8.190 nan 0.000 0.473 333 T N -1.333 113.242 114.554 0.035 0.000 2.812 333 T HA 0.857 5.351 4.350 0.241 0.000 0.294 333 T C -0.573 174.126 174.700 -0.002 0.000 1.159 333 T CA -0.098 62.015 62.100 0.022 0.000 1.008 333 T CB 1.425 70.298 68.868 0.008 0.000 1.289 333 T HN 2.177 nan 8.240 nan 0.000 0.514 334 V N -0.775 119.136 119.914 -0.006 0.000 3.046 334 V HA 0.828 5.092 4.120 0.241 0.000 0.316 334 V C -0.655 175.408 176.094 -0.052 0.000 1.104 334 V CA -1.371 60.899 62.300 -0.050 0.000 1.006 334 V CB 1.254 33.014 31.823 -0.105 0.000 1.058 334 V HN 1.017 nan 8.190 nan 0.000 0.440 335 L N 2.314 123.499 121.223 -0.063 0.000 2.375 335 L HA 0.573 5.058 4.340 0.241 0.000 0.268 335 L C -2.106 174.736 176.870 -0.047 0.000 1.058 335 L CA -1.938 52.873 54.840 -0.048 0.000 0.803 335 L CB 1.753 43.785 42.059 -0.044 0.000 1.212 335 L HN 0.521 nan 8.230 nan 0.000 0.451 336 P HA 0.024 nan 4.420 nan 0.000 0.265 336 P C 0.577 177.862 177.300 -0.025 0.000 1.193 336 P CA 0.624 63.708 63.100 -0.027 0.000 0.765 336 P CB 0.920 32.612 31.700 -0.014 0.000 0.823 337 G N 1.079 109.857 108.800 -0.037 0.000 2.179 337 G HA2 -0.093 4.011 3.960 0.241 0.000 0.220 337 G HA3 -0.093 4.011 3.960 0.241 0.000 0.220 337 G C 0.361 175.221 174.900 -0.066 0.000 0.990 337 G CA 0.065 45.145 45.100 -0.035 0.000 0.646 337 G HN 0.878 nan 8.290 nan 0.000 0.517 338 A N -0.035 122.721 122.820 -0.107 0.000 2.346 338 A HA 0.852 5.317 4.320 0.241 0.000 0.252 338 A C 0.768 178.189 177.584 -0.272 0.000 1.089 338 A CA 1.025 52.950 52.037 -0.186 0.000 0.797 338 A CB 0.650 19.500 19.000 -0.251 0.000 1.047 338 A HN 2.033 nan 8.150 nan 0.000 0.494 339 S N -0.948 114.549 115.700 -0.338 0.000 2.588 339 S HA 0.748 5.363 4.470 0.241 0.000 0.275 339 S C -1.371 172.891 174.600 -0.563 0.000 1.130 339 S CA -0.654 57.348 58.200 -0.330 0.000 0.855 339 S CB 0.847 64.030 63.200 -0.028 0.000 1.116 339 S HN 0.534 nan 8.310 nan 0.000 0.472 340 Y N 0.791 120.959 120.300 -0.220 0.000 2.549 340 Y HA 0.853 5.547 4.550 0.241 0.000 0.339 340 Y C -0.295 175.371 175.900 -0.391 0.000 1.053 340 Y CA -1.261 56.541 58.100 -0.497 0.000 1.105 340 Y CB 1.602 39.877 38.460 -0.309 0.000 1.258 340 Y HN 0.888 nan 8.280 nan 0.000 0.478 341 F N -2.268 117.659 119.950 -0.038 0.000 2.744 341 F HA 0.564 5.232 4.527 0.236 0.000 0.311 341 F C -0.463 175.212 175.800 -0.208 0.000 1.144 341 F CA -1.800 56.110 58.000 -0.151 0.000 0.938 341 F CB 0.129 39.029 39.000 -0.166 0.000 1.292 341 F HN 0.386 nan 8.300 nan 0.000 0.444 342 S N 0.157 115.844 115.700 -0.022 0.000 2.580 342 S HA 0.160 4.775 4.470 0.241 0.000 0.261 342 S C 0.800 175.321 174.600 -0.132 0.000 1.366 342 S CA 0.128 58.225 58.200 -0.171 0.000 0.996 342 S CB 0.887 63.952 63.200 -0.226 0.000 0.902 342 S HN 0.735 nan 8.310 nan 0.000 0.566 343 S N 1.345 116.852 115.700 -0.322 0.000 2.402 343 S HA -0.107 4.507 4.470 0.241 0.000 0.229 343 S C 1.693 176.197 174.600 -0.160 0.000 1.021 343 S CA 1.165 59.150 58.200 -0.358 0.000 0.974 343 S CB -0.618 61.968 63.200 -1.023 0.000 0.800 343 S HN 0.909 nan 8.310 nan 0.000 0.484 344 D N 1.365 121.637 120.400 -0.213 0.000 2.149 344 D HA -0.129 4.655 4.640 0.241 0.000 0.201 344 D C 1.797 178.047 176.300 -0.084 0.000 0.972 344 D CA 0.934 54.867 54.000 -0.113 0.000 0.835 344 D CB -0.513 40.198 40.800 -0.150 0.000 0.966 344 D HN 0.321 nan 8.370 nan 0.000 0.476 345 E N 1.243 121.374 120.200 -0.115 0.000 2.072 345 E HA -0.159 4.336 4.350 0.241 0.000 0.191 345 E C 2.074 178.524 176.600 -0.249 0.000 0.985 345 E CA 1.431 57.722 56.400 -0.183 0.000 0.801 345 E CB -0.448 29.150 29.700 -0.170 0.000 0.750 345 E HN 0.142 nan 8.360 nan 0.000 0.452 346 S N -1.251 114.391 115.700 -0.097 0.000 2.356 346 S HA -0.123 4.492 4.470 0.241 0.000 0.223 346 S C 1.606 176.017 174.600 -0.315 0.000 1.032 346 S CA 1.261 59.379 58.200 -0.137 0.000 1.005 346 S CB -0.465 62.695 63.200 -0.066 0.000 0.867 346 S HN 0.374 nan 8.310 nan 0.000 0.449 347 F N 1.382 121.285 119.950 -0.077 0.000 2.710 347 F HA 0.357 5.026 4.527 0.237 0.000 0.298 347 F C 2.270 178.034 175.800 -0.061 0.000 1.137 347 F CA 0.395 58.365 58.000 -0.051 0.000 1.444 347 F CB -0.417 38.560 39.000 -0.037 0.000 1.111 347 F HN 0.277 nan 8.300 nan 0.000 0.580 348 A N -0.341 122.487 122.820 0.012 0.000 1.929 348 A HA -0.144 4.320 4.320 0.241 0.000 0.216 348 A C 2.225 179.815 177.584 0.010 0.000 1.176 348 A CA 1.188 53.211 52.037 -0.022 0.000 0.628 348 A CB -0.567 18.372 19.000 -0.102 0.000 0.816 348 A HN 0.374 nan 8.150 nan 0.000 0.444 349 M N -0.543 119.002 119.600 -0.091 0.000 2.077 349 M HA -0.066 4.558 4.480 0.241 0.000 0.261 349 M C 1.891 178.234 176.300 0.071 0.000 1.070 349 M CA 1.823 57.083 55.300 -0.067 0.000 1.125 349 M CB -0.233 32.163 32.600 -0.339 0.000 1.339 349 M HN 0.404 nan 8.290 nan 0.000 0.409 350 I N -0.797 119.758 120.570 -0.027 0.000 2.353 350 I HA -0.245 4.069 4.170 0.241 0.000 0.248 350 I C 2.595 178.753 176.117 0.069 0.000 1.119 350 I CA 0.981 62.284 61.300 0.006 0.000 1.417 350 I CB -0.423 37.544 38.000 -0.054 0.000 1.078 350 I HN 0.331 nan 8.210 nan 0.000 0.421 351 R N 0.962 121.526 120.500 0.107 0.000 2.148 351 R HA -0.066 4.419 4.340 0.241 0.000 0.223 351 R C 2.055 178.384 176.300 0.048 0.000 1.088 351 R CA 1.204 57.368 56.100 0.108 0.000 0.985 351 R CB -0.213 30.166 30.300 0.131 0.000 0.880 351 R HN 0.378 nan 8.270 nan 0.000 0.451 352 G N -0.935 107.877 108.800 0.019 0.000 2.920 352 G HA2 0.074 4.179 3.960 0.241 0.000 0.208 352 G HA3 0.074 4.179 3.960 0.241 0.000 0.208 352 G C 0.751 175.427 174.900 -0.373 0.000 1.159 352 G CA 0.378 45.399 45.100 -0.132 0.000 0.784 352 G HN 0.501 nan 8.290 nan 0.000 0.535 353 G N 0.005 108.680 108.800 -0.207 0.000 2.176 353 G HA2 -0.274 3.831 3.960 0.241 0.000 0.252 353 G HA3 -0.274 3.831 3.960 0.241 0.000 0.252 353 G C 0.833 175.583 174.900 -0.250 0.000 1.024 353 G CA 0.504 45.495 45.100 -0.182 0.000 0.755 353 G HN 0.591 nan 8.290 nan 0.000 0.507 354 H N -1.170 117.858 119.070 -0.070 0.000 2.470 354 H HA 0.125 4.826 4.556 0.242 0.000 0.289 354 H C 1.533 176.805 175.328 -0.093 0.000 1.033 354 H CA 1.024 57.002 56.048 -0.118 0.000 1.331 354 H CB 0.317 29.954 29.762 -0.207 0.000 1.414 354 H HN 0.334 nan 8.280 nan 0.000 0.545 355 V N 2.930 122.875 119.914 0.051 0.000 2.508 355 V HA -0.044 4.221 4.120 0.241 0.000 0.281 355 V C 0.657 176.814 176.094 0.105 0.000 1.041 355 V CA 0.121 62.477 62.300 0.093 0.000 1.016 355 V CB 1.127 32.991 31.823 0.068 0.000 0.984 355 V HN 0.389 nan 8.190 nan 0.000 0.478 356 N N 3.506 122.306 118.700 0.167 0.000 2.376 356 N HA 0.110 4.995 4.740 0.241 0.000 0.177 356 N C -0.119 175.445 175.510 0.090 0.000 1.024 356 N CA 0.307 53.432 53.050 0.125 0.000 0.893 356 N CB 0.208 38.785 38.487 0.151 0.000 0.980 356 N HN 0.513 nan 8.380 nan 0.000 0.439 357 L N -0.187 121.097 121.223 0.102 0.000 2.436 357 L HA 0.467 4.951 4.340 0.241 0.000 0.268 357 L C -1.415 175.498 176.870 0.072 0.000 0.974 357 L CA -0.310 54.571 54.840 0.068 0.000 0.826 357 L CB 2.284 44.372 42.059 0.048 0.000 1.291 357 L HN -0.248 nan 8.230 nan 0.000 0.406 358 T N 6.170 120.754 114.554 0.050 0.000 2.791 358 T HA 0.571 5.066 4.350 0.241 0.000 0.288 358 T C -0.691 174.031 174.700 0.036 0.000 0.999 358 T CA -0.124 62.009 62.100 0.055 0.000 0.952 358 T CB 0.757 69.660 68.868 0.059 0.000 0.938 358 T HN 0.662 nan 8.240 nan 0.000 0.444 359 M N 6.390 126.013 119.600 0.039 0.000 2.253 359 M HA 0.757 5.381 4.480 0.241 0.000 0.314 359 M C -1.530 174.797 176.300 0.046 0.000 1.019 359 M CA -0.770 54.542 55.300 0.019 0.000 0.932 359 M CB 0.932 33.519 32.600 -0.023 0.000 1.606 359 M HN 0.677 nan 8.290 nan 0.000 0.430 360 L N 1.554 122.804 121.223 0.045 0.000 2.630 360 L HA 0.992 5.477 4.340 0.241 0.000 0.258 360 L C -0.497 176.404 176.870 0.053 0.000 1.072 360 L CA -1.116 53.758 54.840 0.057 0.000 0.885 360 L CB 1.246 43.345 42.059 0.066 0.000 1.502 360 L HN 0.679 nan 8.230 nan 0.000 0.406 361 G N -0.486 108.349 108.800 0.059 0.000 2.580 361 G HA2 0.752 4.857 3.960 0.241 0.000 0.278 361 G HA3 0.752 4.857 3.960 0.241 0.000 0.278 361 G C -0.802 174.134 174.900 0.059 0.000 1.212 361 G CA -0.001 45.132 45.100 0.055 0.000 0.939 361 G HN 1.263 nan 8.290 nan 0.000 0.513 362 A N -0.433 122.418 122.820 0.052 0.000 2.608 362 A HA 0.576 5.041 4.320 0.241 0.000 0.292 362 A C 0.280 177.888 177.584 0.040 0.000 1.066 362 A CA -0.521 51.549 52.037 0.054 0.000 0.676 362 A CB 0.939 19.968 19.000 0.048 0.000 1.277 362 A HN 0.549 nan 8.150 nan 0.000 0.413 363 M N -0.281 119.342 119.600 0.039 0.000 2.534 363 M HA 0.180 4.804 4.480 0.241 0.000 0.263 363 M C 0.122 176.428 176.300 0.011 0.000 1.152 363 M CA 1.135 56.449 55.300 0.022 0.000 1.145 363 M CB 0.368 32.978 32.600 0.016 0.000 1.333 363 M HN 0.703 nan 8.290 nan 0.000 0.477 364 Q N -0.045 119.765 119.800 0.016 0.000 2.386 364 Q HA 0.526 5.010 4.340 0.241 0.000 0.274 364 Q C -1.600 174.403 176.000 0.004 0.000 1.011 364 Q CA -0.534 55.271 55.803 0.003 0.000 0.867 364 Q CB 3.594 32.335 28.738 0.006 0.000 1.409 364 Q HN -0.066 nan 8.270 nan 0.000 0.395 365 V N 1.369 121.269 119.914 -0.023 0.000 2.656 365 V HA 0.561 4.826 4.120 0.241 0.000 0.307 365 V C -0.115 175.947 176.094 -0.054 0.000 1.051 365 V CA -0.564 61.720 62.300 -0.027 0.000 0.893 365 V CB 1.994 33.792 31.823 -0.041 0.000 0.999 365 V HN 0.926 nan 8.190 nan 0.000 0.426 366 S N 3.346 119.024 115.700 -0.037 0.000 2.707 366 S HA 0.395 5.009 4.470 0.241 0.000 0.276 366 S C 1.077 175.600 174.600 -0.129 0.000 1.179 366 S CA -0.259 57.907 58.200 -0.057 0.000 0.992 366 S CB 1.321 64.525 63.200 0.008 0.000 1.030 366 S HN 0.729 nan 8.310 nan 0.000 0.554 367 K N -0.309 119.962 120.400 -0.215 0.000 2.044 367 K HA -0.158 4.307 4.320 0.241 0.000 0.210 367 K C 0.732 177.046 176.600 -0.477 0.000 1.049 367 K CA 1.751 57.783 56.287 -0.425 0.000 0.927 367 K CB -0.410 31.715 32.500 -0.626 0.000 0.713 367 K HN 0.777 nan 8.250 nan 0.000 0.443 368 Y N -0.645 119.641 120.300 -0.024 0.000 2.470 368 Y HA 0.238 4.933 4.550 0.241 0.000 0.284 368 Y C 1.148 177.047 175.900 -0.001 0.000 1.188 368 Y CA 0.307 58.403 58.100 -0.008 0.000 1.269 368 Y CB 0.852 39.311 38.460 -0.001 0.000 1.094 368 Y HN 0.372 nan 8.280 nan 0.000 0.518 369 G N -0.584 108.255 108.800 0.066 0.000 2.163 369 G HA2 -0.232 3.872 3.960 0.241 0.000 0.213 369 G HA3 -0.232 3.872 3.960 0.241 0.000 0.213 369 G C -0.359 174.577 174.900 0.061 0.000 0.991 369 G CA -0.322 44.813 45.100 0.058 0.000 0.653 369 G HN 0.230 nan 8.290 nan 0.000 0.518 370 D N 0.008 120.447 120.400 0.064 0.000 2.382 370 D HA 0.521 5.306 4.640 0.241 0.000 0.245 370 D C 0.280 176.610 176.300 0.051 0.000 1.120 370 D CA 0.150 54.186 54.000 0.061 0.000 0.890 370 D CB 1.813 42.649 40.800 0.060 0.000 1.201 370 D HN 0.325 nan 8.370 nan 0.000 0.433 371 L N 1.035 122.297 121.223 0.066 0.000 2.362 371 L HA 0.675 5.159 4.340 0.241 0.000 0.271 371 L C -1.343 175.592 176.870 0.108 0.000 1.002 371 L CA -0.774 54.110 54.840 0.074 0.000 0.818 371 L CB 1.855 43.961 42.059 0.079 0.000 1.298 371 L HN 0.373 nan 8.230 nan 0.000 0.420 372 A N 3.533 126.415 122.820 0.102 0.000 2.410 372 A HA 0.658 5.122 4.320 0.241 0.000 0.289 372 A C -0.563 177.096 177.584 0.125 0.000 1.200 372 A CA -0.265 51.847 52.037 0.127 0.000 0.751 372 A CB 0.209 19.246 19.000 0.063 0.000 1.161 372 A HN 0.816 nan 8.150 nan 0.000 0.459 373 N N 0.940 119.767 118.700 0.212 0.000 2.193 373 N HA -0.009 4.876 4.740 0.241 0.000 0.236 373 N C 0.336 176.003 175.510 0.261 0.000 1.347 373 N CA 0.157 53.316 53.050 0.180 0.000 0.812 373 N CB -0.066 38.513 38.487 0.154 0.000 1.297 373 N HN 0.784 nan 8.380 nan 0.000 0.499 374 W N -0.121 121.216 121.300 0.063 0.000 2.835 374 W HA 0.561 5.366 4.660 0.242 0.000 0.278 374 W C -0.625 175.949 176.519 0.093 0.000 1.075 374 W CA -0.290 57.105 57.345 0.083 0.000 1.439 374 W CB 0.322 29.832 29.460 0.084 0.000 0.927 374 W HN -0.053 nan 8.180 nan 0.000 0.604 375 M N 1.642 120.792 119.600 -0.750 0.000 2.371 375 M HA 0.492 5.116 4.480 0.241 0.000 0.287 375 M C -2.210 173.840 176.300 -0.417 0.000 1.149 375 M CA -0.533 54.328 55.300 -0.733 0.000 0.929 375 M CB 2.662 34.371 32.600 -1.486 0.000 1.683 375 M HN -0.125 nan 8.290 nan 0.000 0.470 376 I N 5.561 125.990 120.570 -0.235 0.000 2.420 376 I HA 0.379 4.694 4.170 0.241 0.000 0.282 376 I C -2.284 173.765 176.117 -0.114 0.000 1.019 376 I CA -1.954 59.261 61.300 -0.142 0.000 1.130 376 I CB 1.705 39.657 38.000 -0.079 0.000 1.262 376 I HN 0.423 nan 8.210 nan 0.000 0.454 377 P HA -0.027 nan 4.420 nan 0.000 0.261 377 P C 1.015 178.291 177.300 -0.040 0.000 1.173 377 P CA 0.929 63.992 63.100 -0.062 0.000 0.760 377 P CB 0.529 32.198 31.700 -0.052 0.000 0.783 378 G N 2.880 111.666 108.800 -0.023 0.000 2.196 378 G HA2 -0.349 3.756 3.960 0.241 0.000 0.268 378 G HA3 -0.349 3.756 3.960 0.241 0.000 0.268 378 G C 0.801 175.666 174.900 -0.058 0.000 0.975 378 G CA 0.920 45.993 45.100 -0.044 0.000 0.648 378 G HN 0.582 nan 8.290 nan 0.000 0.538 379 K N -1.987 118.384 120.400 -0.048 0.000 2.550 379 K HA 0.510 4.974 4.320 0.241 0.000 0.205 379 K C -0.230 176.355 176.600 -0.026 0.000 1.429 379 K CA 0.096 56.359 56.287 -0.041 0.000 0.997 379 K CB 1.027 33.505 32.500 -0.036 0.000 1.328 379 K HN 0.301 nan 8.250 nan 0.000 0.546 380 L N 1.267 122.477 121.223 -0.022 0.000 2.580 380 L HA 0.348 4.833 4.340 0.241 0.000 0.266 380 L C -2.041 174.838 176.870 0.014 0.000 0.955 380 L CA -0.587 54.257 54.840 0.006 0.000 0.886 380 L CB 2.334 44.397 42.059 0.007 0.000 1.263 380 L HN -0.188 nan 8.230 nan 0.000 0.406 381 V N 5.236 125.206 119.914 0.092 0.000 2.439 381 V HA 0.458 4.722 4.120 0.241 0.000 0.277 381 V C 0.290 176.518 176.094 0.222 0.000 1.008 381 V CA -0.476 61.921 62.300 0.162 0.000 0.846 381 V CB 1.052 33.051 31.823 0.294 0.000 1.031 381 V HN 0.771 nan 8.190 nan 0.000 0.441 382 K N 2.489 122.992 120.400 0.171 0.000 2.438 382 K HA 0.573 5.038 4.320 0.241 0.000 0.206 382 K C 0.716 177.360 176.600 0.073 0.000 1.081 382 K CA 0.339 56.642 56.287 0.026 0.000 1.053 382 K CB 1.690 34.137 32.500 -0.088 0.000 0.908 382 K HN 0.995 nan 8.250 nan 0.000 0.556 383 G N 1.948 110.959 108.800 0.352 0.000 2.587 383 G HA2 -0.163 3.941 3.960 0.241 0.000 0.686 383 G HA3 -0.163 3.941 3.960 0.241 0.000 0.686 383 G C 0.151 175.370 174.900 0.532 0.000 1.236 383 G CA -0.332 45.009 45.100 0.402 0.000 0.820 383 G HN 0.015 nan 8.290 nan 0.000 0.645 384 M N 0.844 120.569 119.600 0.207 0.000 2.509 384 M HA 0.375 5.000 4.480 0.241 0.000 0.250 384 M C 1.521 177.845 176.300 0.039 0.000 1.132 384 M CA 1.898 57.204 55.300 0.010 0.000 1.080 384 M CB -1.367 30.805 32.600 -0.713 0.000 1.408 384 M HN 2.750 nan 8.290 nan 0.000 0.484 385 G N 1.550 110.401 108.800 0.084 0.000 2.596 385 G HA2 -0.315 3.790 3.960 0.241 0.000 0.295 385 G HA3 -0.315 3.790 3.960 0.241 0.000 0.295 385 G C 0.629 175.560 174.900 0.053 0.000 1.240 385 G CA 0.418 45.564 45.100 0.077 0.000 0.985 385 G HN 0.819 nan 8.290 nan 0.000 0.555 386 G N -0.049 108.843 108.800 0.153 0.000 3.189 386 G HA2 0.549 4.653 3.960 0.241 0.000 0.225 386 G HA3 0.549 4.653 3.960 0.241 0.000 0.225 386 G C 1.671 176.692 174.900 0.201 0.000 1.159 386 G CA 1.722 46.969 45.100 0.244 0.000 0.763 386 G HN 1.678 nan 8.290 nan 0.000 0.549 387 A N 1.010 123.892 122.820 0.104 0.000 1.940 387 A HA -0.059 4.406 4.320 0.241 0.000 0.219 387 A C 2.314 179.930 177.584 0.052 0.000 1.176 387 A CA 1.460 53.547 52.037 0.084 0.000 0.631 387 A CB -0.309 18.738 19.000 0.078 0.000 0.814 387 A HN 0.408 nan 8.150 nan 0.000 0.446 388 M N -0.718 118.869 119.600 -0.021 0.000 2.319 388 M HA -0.106 4.518 4.480 0.241 0.000 0.265 388 M C 1.150 177.471 176.300 0.036 0.000 1.068 388 M CA 1.277 56.555 55.300 -0.037 0.000 1.118 388 M CB -0.462 32.055 32.600 -0.139 0.000 1.395 388 M HN 0.402 nan 8.290 nan 0.000 0.435 389 D N 0.509 120.959 120.400 0.084 0.000 2.162 389 D HA -0.021 4.763 4.640 0.241 0.000 0.203 389 D C 2.059 178.477 176.300 0.198 0.000 0.967 389 D CA 1.056 55.158 54.000 0.170 0.000 0.840 389 D CB 0.040 41.009 40.800 0.281 0.000 0.972 389 D HN 0.353 nan 8.370 nan 0.000 0.482 390 L N 1.038 122.377 121.223 0.193 0.000 2.201 390 L HA -0.104 4.381 4.340 0.241 0.000 0.212 390 L C 2.110 179.038 176.870 0.097 0.000 1.105 390 L CA 0.699 55.622 54.840 0.139 0.000 0.775 390 L CB -0.006 42.129 42.059 0.127 0.000 0.913 390 L HN 0.005 nan 8.230 nan 0.000 0.440 391 V N -5.157 114.809 119.914 0.088 0.000 3.319 391 V HA 0.167 4.431 4.120 0.241 0.000 0.317 391 V C 1.794 177.927 176.094 0.065 0.000 1.411 391 V CA 0.462 62.804 62.300 0.070 0.000 1.112 391 V CB 0.106 31.968 31.823 0.066 0.000 1.031 391 V HN 0.340 nan 8.190 nan 0.000 0.448 392 S N -0.548 115.196 115.700 0.075 0.000 2.496 392 S HA 0.110 4.725 4.470 0.241 0.000 0.224 392 S C 1.164 175.795 174.600 0.050 0.000 0.996 392 S CA 0.746 58.986 58.200 0.067 0.000 0.927 392 S CB -0.120 63.133 63.200 0.089 0.000 0.774 392 S HN 0.627 nan 8.310 nan 0.000 0.524 393 S N 0.264 115.995 115.700 0.051 0.000 2.554 393 S HA 0.702 5.317 4.470 0.241 0.000 0.278 393 S C 0.933 175.547 174.600 0.022 0.000 1.242 393 S CA -0.209 58.011 58.200 0.033 0.000 1.051 393 S CB 1.255 64.466 63.200 0.020 0.000 0.986 393 S HN 0.488 nan 8.310 nan 0.000 0.502 394 A N 4.340 127.169 122.820 0.014 0.000 2.123 394 A HA 0.185 4.650 4.320 0.241 0.000 0.214 394 A C 1.780 179.370 177.584 0.010 0.000 1.152 394 A CA 0.508 52.553 52.037 0.013 0.000 0.728 394 A CB -0.158 18.849 19.000 0.011 0.000 0.814 394 A HN 0.861 nan 8.150 nan 0.000 0.464 395 K N -0.138 120.261 120.400 -0.001 0.000 2.459 395 K HA 0.042 4.506 4.320 0.241 0.000 0.193 395 K C -0.327 176.275 176.600 0.002 0.000 1.030 395 K CA 0.471 56.752 56.287 -0.010 0.000 1.026 395 K CB 0.147 32.620 32.500 -0.045 0.000 0.809 395 K HN 0.296 nan 8.250 nan 0.000 0.504 396 T N 1.705 116.266 114.554 0.012 0.000 2.795 396 T HA 0.129 4.624 4.350 0.241 0.000 0.282 396 T C -0.421 174.298 174.700 0.031 0.000 0.980 396 T CA -0.519 61.597 62.100 0.027 0.000 1.012 396 T CB 1.680 70.568 68.868 0.032 0.000 0.936 396 T HN 0.000 nan 8.240 nan 0.000 0.457 397 K N 3.298 123.718 120.400 0.033 0.000 2.312 397 K HA 0.368 4.832 4.320 0.241 0.000 0.287 397 K C -0.907 175.708 176.600 0.026 0.000 1.062 397 K CA -0.408 55.895 56.287 0.027 0.000 0.934 397 K CB 0.342 32.853 32.500 0.020 0.000 1.027 397 K HN 0.317 nan 8.250 nan 0.000 0.478 398 V N 5.587 125.517 119.914 0.027 0.000 2.370 398 V HA 0.262 4.526 4.120 0.241 0.000 0.283 398 V C -0.461 175.645 176.094 0.020 0.000 1.023 398 V CA -0.835 61.482 62.300 0.029 0.000 0.857 398 V CB 1.467 33.313 31.823 0.040 0.000 0.985 398 V HN 0.512 nan 8.190 nan 0.000 0.443 399 V N 5.894 125.812 119.914 0.008 0.000 2.495 399 V HA 0.490 4.754 4.120 0.241 0.000 0.298 399 V C -0.122 175.977 176.094 0.009 0.000 1.031 399 V CA -0.631 61.668 62.300 -0.002 0.000 0.871 399 V CB 2.084 33.883 31.823 -0.040 0.000 0.988 399 V HN 0.580 nan 8.190 nan 0.000 0.432 400 V N 3.984 123.910 119.914 0.020 0.000 2.472 400 V HA 0.620 4.885 4.120 0.241 0.000 0.290 400 V C 0.311 176.420 176.094 0.024 0.000 1.037 400 V CA -0.324 61.993 62.300 0.027 0.000 0.908 400 V CB 2.216 34.058 31.823 0.031 0.000 0.985 400 V HN 1.038 nan 8.190 nan 0.000 0.454 401 T N 3.665 118.234 114.554 0.026 0.000 2.815 401 T HA 0.839 5.333 4.350 0.241 0.000 0.289 401 T C -0.753 173.965 174.700 0.029 0.000 1.000 401 T CA -0.671 61.444 62.100 0.025 0.000 0.958 401 T CB 1.174 70.056 68.868 0.024 0.000 0.944 401 T HN 0.795 nan 8.240 nan 0.000 0.442 402 M N 0.301 119.917 119.600 0.027 0.000 2.643 402 M HA 0.605 5.229 4.480 0.241 0.000 0.276 402 M C -1.295 175.020 176.300 0.025 0.000 1.200 402 M CA -1.015 54.299 55.300 0.024 0.000 0.863 402 M CB 1.528 34.138 32.600 0.017 0.000 1.711 402 M HN 0.378 nan 8.290 nan 0.000 0.492 403 E N 0.620 120.834 120.200 0.024 0.000 2.418 403 E HA -0.017 4.478 4.350 0.241 0.000 0.261 403 E C 0.061 176.696 176.600 0.058 0.000 1.070 403 E CA 0.310 56.732 56.400 0.037 0.000 0.931 403 E CB 0.653 30.370 29.700 0.028 0.000 0.954 403 E HN 0.731 nan 8.360 nan 0.000 0.439 404 H N 0.619 119.699 119.070 0.016 0.000 2.363 404 H HA 0.017 4.718 4.556 0.241 0.000 0.301 404 H C -0.046 175.321 175.328 0.064 0.000 1.074 404 H CA 1.274 57.351 56.048 0.048 0.000 1.354 404 H CB 0.515 30.305 29.762 0.046 0.000 1.397 404 H HN 0.191 nan 8.280 nan 0.000 0.516 405 S N -1.254 114.534 115.700 0.147 0.000 2.634 405 S HA 0.743 5.358 4.470 0.241 0.000 0.296 405 S C -0.715 173.917 174.600 0.053 0.000 1.104 405 S CA -0.483 57.781 58.200 0.107 0.000 0.920 405 S CB 2.097 65.387 63.200 0.150 0.000 1.111 405 S HN 0.506 nan 8.310 nan 0.000 0.493 406 A N 1.153 123.991 122.820 0.030 0.000 2.263 406 A HA 0.716 5.181 4.320 0.241 0.000 0.318 406 A C -0.202 177.384 177.584 0.003 0.000 1.111 406 A CA -0.592 51.452 52.037 0.011 0.000 0.901 406 A CB 0.191 19.191 19.000 0.001 0.000 1.280 406 A HN 0.546 nan 8.150 nan 0.000 0.503 407 K N -0.193 120.206 120.400 -0.002 0.000 2.524 407 K HA 0.211 4.675 4.320 0.241 0.000 0.279 407 K C 1.153 177.744 176.600 -0.016 0.000 0.993 407 K CA 1.558 57.841 56.287 -0.006 0.000 1.030 407 K CB -0.059 32.436 32.500 -0.007 0.000 0.891 407 K HN 1.716 nan 8.250 nan 0.000 0.488 408 G N 3.026 111.818 108.800 -0.014 0.000 2.148 408 G HA2 -0.368 3.736 3.960 0.241 0.000 0.254 408 G HA3 -0.368 3.736 3.960 0.241 0.000 0.254 408 G C 0.409 175.290 174.900 -0.032 0.000 0.981 408 G CA 0.821 45.907 45.100 -0.023 0.000 0.670 408 G HN 0.870 nan 8.290 nan 0.000 0.528 409 N N -2.053 116.637 118.700 -0.018 0.000 2.782 409 N HA -0.084 4.800 4.740 0.241 0.000 0.251 409 N C 0.678 176.141 175.510 -0.078 0.000 1.101 409 N CA 2.019 55.062 53.050 -0.010 0.000 0.764 409 N CB -1.280 37.209 38.487 0.002 0.000 1.122 409 N HN 2.019 nan 8.380 nan 0.000 0.561 410 A N 0.425 123.188 122.820 -0.095 0.000 2.462 410 A HA 0.316 4.781 4.320 0.241 0.000 0.243 410 A C 0.194 177.717 177.584 -0.102 0.000 1.076 410 A CA -0.089 51.843 52.037 -0.175 0.000 0.773 410 A CB 0.148 19.090 19.000 -0.097 0.000 1.010 410 A HN 0.435 nan 8.150 nan 0.000 0.493 411 H N 1.356 120.432 119.070 0.011 0.000 2.790 411 H HA 0.140 4.841 4.556 0.241 0.000 0.358 411 H C 0.484 175.792 175.328 -0.033 0.000 1.103 411 H CA 0.329 56.374 56.048 -0.005 0.000 1.426 411 H CB 0.780 30.539 29.762 -0.004 0.000 1.424 411 H HN 0.736 nan 8.280 nan 0.000 0.599 412 K N 1.354 121.791 120.400 0.061 0.000 2.425 412 K HA 0.292 4.757 4.320 0.241 0.000 0.201 412 K C 0.186 176.752 176.600 -0.056 0.000 1.128 412 K CA 0.268 56.549 56.287 -0.010 0.000 1.000 412 K CB 1.003 33.481 32.500 -0.037 0.000 0.961 412 K HN 0.374 nan 8.250 nan 0.000 0.555 413 I N 3.487 123.993 120.570 -0.106 0.000 2.355 413 I HA 0.320 4.635 4.170 0.241 0.000 0.288 413 I C -0.152 175.884 176.117 -0.135 0.000 0.999 413 I CA -0.566 60.632 61.300 -0.170 0.000 1.163 413 I CB 1.190 39.006 38.000 -0.306 0.000 1.316 413 I HN 0.007 nan 8.210 nan 0.000 0.454 414 M N 2.654 122.189 119.600 -0.108 0.000 3.079 414 M HA 0.530 5.154 4.480 0.241 0.000 0.277 414 M C 0.278 176.525 176.300 -0.089 0.000 1.317 414 M CA -0.682 54.569 55.300 -0.081 0.000 0.793 414 M CB 1.704 34.300 32.600 -0.006 0.000 1.690 414 M HN 0.242 nan 8.290 nan 0.000 0.451 415 E N 1.459 121.623 120.200 -0.060 0.000 2.038 415 E HA 0.012 4.507 4.350 0.241 0.000 0.195 415 E C -0.356 176.238 176.600 -0.010 0.000 1.000 415 E CA 1.846 58.218 56.400 -0.048 0.000 0.803 415 E CB 0.444 30.136 29.700 -0.014 0.000 0.750 415 E HN 0.433 nan 8.360 nan 0.000 0.448 416 K N -0.430 119.975 120.400 0.007 0.000 2.464 416 K HA 0.313 4.777 4.320 0.241 0.000 0.253 416 K C -1.006 175.603 176.600 0.015 0.000 0.933 416 K CA -0.785 55.516 56.287 0.024 0.000 0.801 416 K CB 1.607 34.126 32.500 0.031 0.000 1.271 416 K HN 0.075 nan 8.250 nan 0.000 0.430 417 C N 1.717 121.028 119.300 0.018 0.000 2.644 417 C HA 0.130 4.734 4.460 0.241 0.000 0.417 417 C C 2.003 177.001 174.990 0.013 0.000 1.304 417 C CA -0.136 58.891 59.018 0.016 0.000 2.035 417 C CB -0.222 27.533 27.740 0.025 0.000 2.673 417 C HN 0.875 nan 8.230 nan 0.000 0.602 418 T N -0.276 114.282 114.554 0.006 0.000 3.022 418 T HA 0.235 4.729 4.350 0.241 0.000 0.250 418 T C 0.273 174.965 174.700 -0.014 0.000 1.060 418 T CA 0.211 62.310 62.100 -0.001 0.000 1.013 418 T CB -0.039 68.828 68.868 -0.002 0.000 0.982 418 T HN 0.527 nan 8.240 nan 0.000 0.508 419 L N 1.749 122.962 121.223 -0.017 0.000 2.334 419 L HA 0.499 4.984 4.340 0.241 0.000 0.275 419 L C -2.467 174.381 176.870 -0.035 0.000 1.036 419 L CA -2.829 51.983 54.840 -0.047 0.000 0.807 419 L CB 1.000 43.027 42.059 -0.054 0.000 1.231 419 L HN -0.139 nan 8.230 nan 0.000 0.438 420 P HA -0.017 nan 4.420 nan 0.000 0.263 420 P C -0.550 176.838 177.300 0.147 0.000 1.175 420 P CA 0.299 63.394 63.100 -0.007 0.000 0.761 420 P CB 0.322 31.906 31.700 -0.194 0.000 0.794 421 L N 2.541 123.907 121.223 0.237 0.000 2.436 421 L HA 0.129 4.614 4.340 0.241 0.000 0.265 421 L C 1.583 178.693 176.870 0.400 0.000 1.168 421 L CA 0.185 55.178 54.840 0.255 0.000 0.815 421 L CB 0.320 42.456 42.059 0.129 0.000 1.109 421 L HN 0.426 nan 8.230 nan 0.000 0.462 422 T N 0.102 114.824 114.554 0.281 0.000 3.046 422 T HA 0.190 4.685 4.350 0.241 0.000 0.242 422 T C 0.469 175.203 174.700 0.057 0.000 1.018 422 T CA 0.488 62.677 62.100 0.148 0.000 1.131 422 T CB 0.577 69.553 68.868 0.181 0.000 0.904 422 T HN 0.773 nan 8.240 nan 0.000 0.459 423 G N 0.686 109.535 108.800 0.082 0.000 2.718 423 G HA2 0.594 4.698 3.960 0.241 0.000 0.295 423 G HA3 0.594 4.698 3.960 0.241 0.000 0.295 423 G C -1.842 173.095 174.900 0.063 0.000 1.421 423 G CA -0.685 44.452 45.100 0.063 0.000 0.902 423 G HN 0.131 nan 8.290 nan 0.000 0.501 424 K N 0.746 121.182 120.400 0.061 0.000 2.235 424 K HA 0.410 4.874 4.320 0.241 0.000 0.266 424 K C 0.057 176.703 176.600 0.077 0.000 0.980 424 K CA -0.360 55.960 56.287 0.056 0.000 0.849 424 K CB 0.676 33.187 32.500 0.019 0.000 1.098 424 K HN 0.603 nan 8.250 nan 0.000 0.445 425 Q N 2.076 121.923 119.800 0.078 0.000 2.439 425 Q HA -0.245 4.239 4.340 0.241 0.000 0.325 425 Q C 0.259 176.302 176.000 0.072 0.000 1.372 425 Q CA 0.640 56.495 55.803 0.086 0.000 0.909 425 Q CB -2.209 26.577 28.738 0.079 0.000 1.167 425 Q HN 0.841 nan 8.270 nan 0.000 0.418 426 C N -4.811 114.529 119.300 0.066 0.000 3.559 426 C HA 0.471 5.076 4.460 0.241 0.000 0.314 426 C C 0.842 175.863 174.990 0.052 0.000 1.419 426 C CA -0.447 58.606 59.018 0.058 0.000 1.775 426 C CB -0.141 27.634 27.740 0.060 0.000 2.430 426 C HN 0.286 nan 8.230 nan 0.000 0.686 427 V N 3.581 123.526 119.914 0.052 0.000 2.498 427 V HA 0.241 4.506 4.120 0.241 0.000 0.279 427 V C 0.404 176.523 176.094 0.043 0.000 1.048 427 V CA 0.559 62.885 62.300 0.044 0.000 0.967 427 V CB 0.953 32.798 31.823 0.036 0.000 0.988 427 V HN 0.465 nan 8.190 nan 0.000 0.473 428 N N 2.845 121.569 118.700 0.039 0.000 2.388 428 N HA 0.184 5.069 4.740 0.241 0.000 0.176 428 N C 0.514 176.049 175.510 0.043 0.000 1.062 428 N CA 0.010 53.084 53.050 0.040 0.000 0.895 428 N CB 0.480 38.986 38.487 0.033 0.000 1.018 428 N HN 0.638 nan 8.380 nan 0.000 0.456 429 R N 0.558 121.083 120.500 0.041 0.000 2.604 429 R HA 0.439 4.923 4.340 0.241 0.000 0.270 429 R C -2.071 174.264 176.300 0.058 0.000 1.052 429 R CA -0.465 55.665 56.100 0.051 0.000 0.902 429 R CB 1.155 31.471 30.300 0.026 0.000 1.233 429 R HN -0.085 nan 8.270 nan 0.000 0.455 430 I N 5.296 125.927 120.570 0.103 0.000 2.406 430 I HA 0.422 4.737 4.170 0.241 0.000 0.290 430 I C -0.371 175.809 176.117 0.104 0.000 0.999 430 I CA -0.820 60.548 61.300 0.113 0.000 1.124 430 I CB 2.039 40.140 38.000 0.168 0.000 1.289 430 I HN 0.449 nan 8.210 nan 0.000 0.441 431 I N 5.700 126.306 120.570 0.060 0.000 2.411 431 I HA 0.333 4.648 4.170 0.241 0.000 0.284 431 I C 0.275 176.420 176.117 0.046 0.000 1.012 431 I CA -0.221 61.099 61.300 0.033 0.000 1.119 431 I CB 1.846 39.849 38.000 0.005 0.000 1.261 431 I HN 0.648 nan 8.210 nan 0.000 0.448 432 T N 1.077 115.670 114.554 0.065 0.000 2.841 432 T HA 0.287 4.782 4.350 0.241 0.000 0.276 432 T C 0.897 175.611 174.700 0.022 0.000 1.003 432 T CA -0.570 61.580 62.100 0.083 0.000 0.995 432 T CB 1.692 70.699 68.868 0.232 0.000 1.260 432 T HN 0.596 nan 8.240 nan 0.000 0.581 433 E N 0.327 120.517 120.200 -0.016 0.000 2.427 433 E HA -0.000 4.494 4.350 0.241 0.000 0.196 433 E C 1.094 177.577 176.600 -0.196 0.000 1.028 433 E CA 0.670 56.971 56.400 -0.166 0.000 0.864 433 E CB -0.068 29.500 29.700 -0.219 0.000 0.813 433 E HN 0.744 nan 8.360 nan 0.000 0.514 434 K N 0.117 120.476 120.400 -0.069 0.000 2.329 434 K HA 0.391 4.856 4.320 0.241 0.000 0.198 434 K C 0.820 177.395 176.600 -0.041 0.000 1.085 434 K CA 0.761 57.004 56.287 -0.074 0.000 0.961 434 K CB 0.992 33.330 32.500 -0.271 0.000 0.971 434 K HN 0.136 nan 8.250 nan 0.000 0.502 435 A N 0.754 123.520 122.820 -0.090 0.000 2.602 435 A HA 0.595 5.060 4.320 0.241 0.000 0.290 435 A C -1.482 175.921 177.584 -0.301 0.000 1.114 435 A CA -0.621 51.250 52.037 -0.277 0.000 0.683 435 A CB 1.658 20.291 19.000 -0.612 0.000 1.281 435 A HN -0.103 nan 8.150 nan 0.000 0.416 436 V N 0.524 120.196 119.914 -0.403 0.000 2.495 436 V HA 0.668 4.933 4.120 0.241 0.000 0.298 436 V C -1.354 174.486 176.094 -0.423 0.000 1.031 436 V CA -0.235 61.907 62.300 -0.262 0.000 0.871 436 V CB 1.188 32.933 31.823 -0.131 0.000 0.988 436 V HN 0.659 nan 8.190 nan 0.000 0.432 437 F N 1.595 121.513 119.950 -0.054 0.000 2.520 437 F HA 0.548 5.219 4.527 0.241 0.000 0.322 437 F C 0.143 175.921 175.800 -0.037 0.000 1.103 437 F CA -0.809 57.151 58.000 -0.067 0.000 0.926 437 F CB 1.749 40.694 39.000 -0.091 0.000 1.154 437 F HN 0.373 nan 8.300 nan 0.000 0.453 438 D N 1.709 122.218 120.400 0.183 0.000 2.175 438 D HA 0.555 5.340 4.640 0.241 0.000 0.248 438 D C -0.891 175.474 176.300 0.108 0.000 1.047 438 D CA 0.020 54.084 54.000 0.107 0.000 0.883 438 D CB 2.042 42.887 40.800 0.076 0.000 1.180 438 D HN 0.121 nan 8.370 nan 0.000 0.438 439 V N 2.154 122.113 119.914 0.074 0.000 2.495 439 V HA 0.371 4.636 4.120 0.241 0.000 0.298 439 V C -0.414 175.718 176.094 0.064 0.000 1.031 439 V CA -0.840 61.491 62.300 0.052 0.000 0.871 439 V CB 2.027 33.870 31.823 0.034 0.000 0.988 439 V HN 0.471 nan 8.190 nan 0.000 0.432 440 D N 1.980 122.428 120.400 0.079 0.000 2.502 440 D HA 0.414 5.198 4.640 0.241 0.000 0.249 440 D C 1.202 177.599 176.300 0.163 0.000 1.092 440 D CA -0.749 53.311 54.000 0.101 0.000 0.839 440 D CB 1.580 42.438 40.800 0.098 0.000 1.264 440 D HN 0.566 nan 8.370 nan 0.000 0.511 441 R N 2.507 123.090 120.500 0.138 0.000 2.241 441 R HA -0.027 4.458 4.340 0.241 0.000 0.224 441 R C 0.786 177.168 176.300 0.136 0.000 1.101 441 R CA 0.799 56.994 56.100 0.158 0.000 0.995 441 R CB 0.016 30.364 30.300 0.080 0.000 0.870 441 R HN 0.192 nan 8.270 nan 0.000 0.463 442 K N 1.089 121.567 120.400 0.131 0.000 2.367 442 K HA 0.048 4.512 4.320 0.241 0.000 0.198 442 K C 1.659 178.369 176.600 0.184 0.000 1.132 442 K CA 1.136 57.457 56.287 0.057 0.000 0.941 442 K CB 0.449 32.964 32.500 0.024 0.000 1.052 442 K HN 0.390 nan 8.250 nan 0.000 0.507 443 K N -0.308 120.226 120.400 0.224 0.000 2.348 443 K HA 0.212 4.676 4.320 0.241 0.000 0.194 443 K C 0.840 177.566 176.600 0.210 0.000 1.052 443 K CA 0.721 57.135 56.287 0.212 0.000 1.004 443 K CB 0.629 33.200 32.500 0.119 0.000 0.873 443 K HN 0.057 nan 8.250 nan 0.000 0.523 444 G N 1.207 110.107 108.800 0.167 0.000 2.418 444 G HA2 -0.122 3.983 3.960 0.241 0.000 0.206 444 G HA3 -0.122 3.983 3.960 0.241 0.000 0.206 444 G C -1.258 173.609 174.900 -0.056 0.000 1.202 444 G CA -0.518 44.513 45.100 -0.116 0.000 1.061 444 G HN 0.085 nan 8.290 nan 0.000 0.563 445 L N 0.710 121.877 121.223 -0.093 0.000 2.334 445 L HA 0.648 5.133 4.340 0.241 0.000 0.277 445 L C 0.203 177.163 176.870 0.151 0.000 1.075 445 L CA -0.504 54.321 54.840 -0.024 0.000 0.804 445 L CB 1.707 43.612 42.059 -0.256 0.000 1.174 445 L HN 0.587 nan 8.230 nan 0.000 0.438 446 T N 3.509 118.199 114.554 0.227 0.000 2.840 446 T HA 0.297 4.791 4.350 0.241 0.000 0.287 446 T C -0.476 174.392 174.700 0.281 0.000 0.991 446 T CA -0.429 61.817 62.100 0.243 0.000 0.964 446 T CB 1.489 70.443 68.868 0.143 0.000 0.954 446 T HN 0.247 nan 8.240 nan 0.000 0.438 447 L N 6.365 127.733 121.223 0.241 0.000 2.433 447 L HA 0.382 4.866 4.340 0.241 0.000 0.284 447 L C 0.939 177.764 176.870 -0.075 0.000 1.120 447 L CA 0.144 54.934 54.840 -0.082 0.000 0.879 447 L CB -0.513 41.475 42.059 -0.119 0.000 1.232 447 L HN 0.766 nan 8.230 nan 0.000 0.454 448 I N 0.058 120.553 120.570 -0.124 0.000 3.854 448 I HA 0.389 4.703 4.170 0.241 0.000 0.312 448 I C 0.062 176.117 176.117 -0.103 0.000 1.273 448 I CA -0.010 61.246 61.300 -0.073 0.000 1.298 448 I CB 0.175 38.154 38.000 -0.036 0.000 1.071 448 I HN 0.486 nan 8.210 nan 0.000 0.428 449 E N 1.531 121.628 120.200 -0.172 0.000 2.356 449 E HA 0.604 5.098 4.350 0.241 0.000 0.275 449 E C -1.889 174.603 176.600 -0.181 0.000 0.904 449 E CA -0.809 55.505 56.400 -0.142 0.000 0.757 449 E CB 3.353 32.989 29.700 -0.106 0.000 1.232 449 E HN 0.071 nan 8.360 nan 0.000 0.442 450 L N 1.928 123.078 121.223 -0.123 0.000 2.431 450 L HA 0.433 4.917 4.340 0.241 0.000 0.266 450 L C -1.364 175.482 176.870 -0.039 0.000 0.978 450 L CA -0.476 54.306 54.840 -0.096 0.000 0.822 450 L CB 1.555 43.558 42.059 -0.094 0.000 1.310 450 L HN 0.680 nan 8.230 nan 0.000 0.409 451 W N 5.531 126.756 121.300 -0.126 0.000 2.251 451 W HA 0.182 4.987 4.660 0.241 0.000 0.327 451 W C 0.213 176.688 176.519 -0.074 0.000 1.361 451 W CA -0.065 57.224 57.345 -0.093 0.000 1.234 451 W CB 0.778 30.184 29.460 -0.089 0.000 1.212 451 W HN 0.860 nan 8.180 nan 0.000 0.557 452 E N 3.448 123.096 120.200 -0.921 0.000 2.442 452 E HA 0.262 4.756 4.350 0.241 0.000 0.262 452 E C 0.948 177.366 176.600 -0.303 0.000 1.004 452 E CA 0.686 56.746 56.400 -0.566 0.000 0.928 452 E CB 0.541 29.870 29.700 -0.618 0.000 0.937 452 E HN 0.741 nan 8.360 nan 0.000 0.446 453 G N 2.577 111.302 108.800 -0.126 0.000 2.217 453 G HA2 -0.267 3.837 3.960 0.241 0.000 0.246 453 G HA3 -0.267 3.837 3.960 0.241 0.000 0.246 453 G C 0.081 175.003 174.900 0.036 0.000 0.990 453 G CA 0.256 45.348 45.100 -0.012 0.000 0.627 453 G HN 0.444 nan 8.290 nan 0.000 0.522 454 L N 1.316 122.563 121.223 0.041 0.000 2.334 454 L HA 0.757 5.241 4.340 0.241 0.000 0.272 454 L C 0.959 177.840 176.870 0.017 0.000 1.020 454 L CA -0.310 54.561 54.840 0.052 0.000 0.812 454 L CB 1.990 44.103 42.059 0.090 0.000 1.264 454 L HN 0.363 nan 8.230 nan 0.000 0.439 455 T N -2.355 112.214 114.554 0.025 0.000 2.942 455 T HA 0.346 4.840 4.350 0.241 0.000 0.289 455 T C 0.908 175.640 174.700 0.053 0.000 1.044 455 T CA -0.807 61.310 62.100 0.029 0.000 1.023 455 T CB 1.714 70.600 68.868 0.030 0.000 1.123 455 T HN 0.168 nan 8.240 nan 0.000 0.512 456 V N 0.846 120.806 119.914 0.077 0.000 2.594 456 V HA -0.116 4.148 4.120 0.241 0.000 0.253 456 V C 2.428 178.634 176.094 0.186 0.000 1.069 456 V CA 2.321 64.716 62.300 0.159 0.000 1.082 456 V CB -1.011 30.917 31.823 0.175 0.000 0.680 456 V HN 1.053 nan 8.190 nan 0.000 0.469 457 D N 0.096 120.561 120.400 0.108 0.000 2.117 457 D HA -0.177 4.607 4.640 0.241 0.000 0.198 457 D C 1.856 178.213 176.300 0.096 0.000 0.982 457 D CA 1.207 55.261 54.000 0.090 0.000 0.828 457 D CB -0.117 40.715 40.800 0.053 0.000 0.967 457 D HN 0.401 nan 8.370 nan 0.000 0.464 458 D N -0.057 120.387 120.400 0.073 0.000 2.149 458 D HA -0.135 4.649 4.640 0.241 0.000 0.198 458 D C 2.003 178.333 176.300 0.051 0.000 0.990 458 D CA 0.622 54.652 54.000 0.051 0.000 0.839 458 D CB 0.097 40.912 40.800 0.026 0.000 0.948 458 D HN 0.330 nan 8.370 nan 0.000 0.460 459 I N 1.116 121.734 120.570 0.081 0.000 2.406 459 I HA -0.142 4.173 4.170 0.241 0.000 0.249 459 I C 2.173 178.481 176.117 0.318 0.000 1.122 459 I CA 0.822 62.182 61.300 0.101 0.000 1.431 459 I CB -0.723 37.325 38.000 0.080 0.000 1.087 459 I HN -0.054 nan 8.210 nan 0.000 0.424 460 K N 1.456 122.075 120.400 0.365 0.000 2.152 460 K HA -0.178 4.286 4.320 0.241 0.000 0.206 460 K C 1.767 178.464 176.600 0.161 0.000 1.048 460 K CA 1.381 57.839 56.287 0.284 0.000 0.933 460 K CB -0.129 32.435 32.500 0.107 0.000 0.721 460 K HN 0.444 nan 8.250 nan 0.000 0.447 461 K N -0.505 119.982 120.400 0.144 0.000 2.404 461 K HA 0.149 4.613 4.320 0.241 0.000 0.194 461 K C 0.771 177.498 176.600 0.211 0.000 1.023 461 K CA 0.571 56.943 56.287 0.141 0.000 1.094 461 K CB 0.691 33.257 32.500 0.110 0.000 0.841 461 K HN -0.192 nan 8.250 nan 0.000 0.523 462 S N 0.513 116.345 115.700 0.220 0.000 2.650 462 S HA 0.134 4.749 4.470 0.241 0.000 0.240 462 S C -0.602 174.220 174.600 0.369 0.000 1.007 462 S CA -0.421 57.979 58.200 0.333 0.000 0.984 462 S CB 0.988 64.330 63.200 0.237 0.000 0.910 462 S HN 0.258 nan 8.310 nan 0.000 0.509 463 T N 0.327 114.935 114.554 0.089 0.000 2.848 463 T HA 0.426 4.921 4.350 0.241 0.000 0.285 463 T C 1.136 175.518 174.700 -0.531 0.000 0.995 463 T CA -0.604 61.448 62.100 -0.081 0.000 0.970 463 T CB 1.724 70.732 68.868 0.234 0.000 0.976 463 T HN 0.156 nan 8.240 nan 0.000 0.441 464 G N 0.792 109.219 108.800 -0.622 0.000 2.744 464 G HA2 0.151 4.256 3.960 0.241 0.000 0.211 464 G HA3 0.151 4.256 3.960 0.241 0.000 0.211 464 G C 0.718 175.497 174.900 -0.202 0.000 1.143 464 G CA 0.448 45.249 45.100 -0.499 0.000 0.788 464 G HN 0.948 nan 8.290 nan 0.000 0.534 465 C N -0.730 118.477 119.300 -0.155 0.000 3.259 465 C HA 0.738 5.343 4.460 0.241 0.000 0.328 465 C C -0.413 174.535 174.990 -0.071 0.000 1.425 465 C CA -1.241 57.712 59.018 -0.108 0.000 1.465 465 C CB 1.730 29.389 27.740 -0.136 0.000 1.890 465 C HN 0.362 nan 8.230 nan 0.000 0.450 466 D N 0.170 120.502 120.400 -0.114 0.000 2.348 466 D HA 0.664 5.449 4.640 0.241 0.000 0.249 466 D C -0.691 175.546 176.300 -0.105 0.000 1.110 466 D CA 0.132 54.005 54.000 -0.213 0.000 0.967 466 D CB 1.459 42.142 40.800 -0.195 0.000 1.139 466 D HN 0.822 nan 8.370 nan 0.000 0.466 467 F N -2.728 117.194 119.950 -0.046 0.000 2.693 467 F HA 0.671 5.342 4.527 0.241 0.000 0.309 467 F C -1.051 174.771 175.800 0.037 0.000 1.129 467 F CA -1.471 56.517 58.000 -0.021 0.000 0.948 467 F CB 0.958 39.970 39.000 0.020 0.000 1.315 467 F HN 0.522 nan 8.300 nan 0.000 0.447 468 A N 0.907 123.908 122.820 0.302 0.000 2.271 468 A HA 0.774 5.239 4.320 0.241 0.000 0.288 468 A C -1.047 176.744 177.584 0.345 0.000 1.094 468 A CA -0.723 51.441 52.037 0.212 0.000 0.828 468 A CB 1.018 20.102 19.000 0.140 0.000 1.091 468 A HN 0.870 nan 8.150 nan 0.000 0.493 469 V N 1.522 121.571 119.914 0.224 0.000 2.407 469 V HA 0.322 4.586 4.120 0.241 0.000 0.291 469 V C 0.642 176.803 176.094 0.112 0.000 1.018 469 V CA -0.463 61.959 62.300 0.204 0.000 0.842 469 V CB 1.220 33.152 31.823 0.181 0.000 0.996 469 V HN 1.005 nan 8.190 nan 0.000 0.426 470 S N 7.428 123.180 115.700 0.087 0.000 2.552 470 S HA 0.118 4.732 4.470 0.241 0.000 0.289 470 S C -0.613 174.008 174.600 0.036 0.000 1.304 470 S CA -0.497 57.734 58.200 0.052 0.000 1.063 470 S CB 0.838 64.056 63.200 0.031 0.000 0.848 470 S HN 0.714 nan 8.310 nan 0.000 0.499 471 P HA -0.007 nan 4.420 nan 0.000 0.230 471 P C 0.058 177.363 177.300 0.009 0.000 1.158 471 P CA 0.917 64.028 63.100 0.020 0.000 0.769 471 P CB 0.078 31.790 31.700 0.018 0.000 0.807 472 K N -0.093 120.311 120.400 0.006 0.000 2.570 472 K HA 0.162 4.627 4.320 0.241 0.000 0.210 472 K C 0.373 176.965 176.600 -0.013 0.000 1.048 472 K CA -0.781 55.503 56.287 -0.004 0.000 1.167 472 K CB -0.197 32.300 32.500 -0.004 0.000 0.892 472 K HN 0.036 nan 8.250 nan 0.000 0.480 473 L N 2.751 123.967 121.223 -0.011 0.000 2.601 473 L HA 0.037 4.521 4.340 0.241 0.000 0.277 473 L C -0.152 176.693 176.870 -0.040 0.000 1.219 473 L CA 0.632 55.456 54.840 -0.027 0.000 0.915 473 L CB -0.034 42.015 42.059 -0.016 0.000 1.160 473 L HN 0.195 nan 8.230 nan 0.000 0.494 474 I N 3.651 124.188 120.570 -0.056 0.000 3.002 474 I HA 0.700 5.014 4.170 0.241 0.000 0.310 474 I C -2.486 173.576 176.117 -0.091 0.000 1.087 474 I CA -2.516 58.744 61.300 -0.067 0.000 1.017 474 I CB 2.077 40.041 38.000 -0.060 0.000 1.226 474 I HN 0.419 nan 8.210 nan 0.000 0.443 475 P HA 0.056 nan 4.420 nan 0.000 0.269 475 P C -0.475 176.735 177.300 -0.150 0.000 1.209 475 P CA -0.201 62.799 63.100 -0.165 0.000 0.776 475 P CB 0.750 32.324 31.700 -0.210 0.000 0.876 476 M N 2.688 122.202 119.600 -0.143 0.000 2.284 476 M HA -0.046 4.578 4.480 0.241 0.000 0.351 476 M C 0.601 176.865 176.300 -0.061 0.000 1.443 476 M CA 0.599 55.871 55.300 -0.046 0.000 1.031 476 M CB 0.015 32.696 32.600 0.135 0.000 1.893 476 M HN 0.334 nan 8.290 nan 0.000 0.456 477 Q N 3.062 122.844 119.800 -0.030 0.000 2.471 477 Q HA 0.224 4.708 4.340 0.241 0.000 0.223 477 Q C -0.885 175.123 176.000 0.012 0.000 1.045 477 Q CA -0.229 55.556 55.803 -0.030 0.000 0.956 477 Q CB 0.734 29.456 28.738 -0.027 0.000 1.249 477 Q HN 0.561 nan 8.270 nan 0.000 0.549 478 Q N 0.497 120.292 119.800 -0.007 0.000 2.295 478 Q HA 0.249 4.733 4.340 0.241 0.000 0.268 478 Q C -1.396 174.578 176.000 -0.042 0.000 1.010 478 Q CA -0.437 55.363 55.803 -0.005 0.000 0.856 478 Q CB 2.252 31.006 28.738 0.027 0.000 1.349 478 Q HN 0.522 nan 8.270 nan 0.000 0.412 479 V N 2.745 122.613 119.914 -0.076 0.000 2.673 479 V HA 0.118 4.383 4.120 0.241 0.000 0.303 479 V C 0.113 176.157 176.094 -0.083 0.000 1.046 479 V CA 0.924 63.185 62.300 -0.066 0.000 1.126 479 V CB 0.921 32.703 31.823 -0.068 0.000 0.934 479 V HN 0.831 nan 8.190 nan 0.000 0.487 480 T N 0.000 114.536 114.554 -0.030 0.000 3.816 480 T HA 0.000 4.495 4.350 0.241 0.000 0.228 480 T CA 0.000 62.089 62.100 -0.018 0.000 1.349 480 T CB 0.000 68.866 68.868 -0.003 0.000 0.612 480 T HN 0.000 nan 8.240 nan 0.000 0.658