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 3epm_1_B DATA FIRST_RESID 15 DATA SEQUENCE STGPIPGSRK VYQAGELFPE LRVPFREVAV HPSANEPPVT IYDPSGPYSD DATA SEQUENCE PAIQIDIEKG LPRTREALVV ARGDVEEVAD PRXXXXXXXX XXXXXXXAPE DATA SEQUENCE FPDTGRKIYR AKPGKLVTQL EYARAGIITA EXEYVAIREN LRREQDRPCV DATA SEQUENCE RDGEDFGASI PDFVTPEFVR QEIARGRAII PANINHGELE PXAIGRNFLV DATA SEQUENCE KINANIGNXX XXXTVADEVD KLVWATRWGA DTVXDLSTGR NIHNIRDWII DATA SEQUENCE RNSSVPIGTV PIYQALEKVN GVAEDLNWEV FRDTLIEQCE QGVDYFTIHA DATA SEQUENCE GVRLPFIPXT AKRVTGIVSR GGSIXAKWCL AHHKENFLYE RFDEICEIXR DATA SEQUENCE AYDVSFSLGD GLRPGSTADA NDEAQFSELR TLGELTKVAW KHGVQVXIEG DATA SEQUENCE PGHVAXHKIK ANXDEQLKHC HEAPFYTLGP LTTDIAPGYD HITSAIGAAX DATA SEQUENCE IGWFGTAXLC YVTPKEHLGL PDRDDVKTGV ITYKLAAHAA DLAKGHPGAA DATA SEQUENCE XWDDAISRAR FEFRWEDQFN LGLDPETARK FH 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 15 S HA 0.000 nan 4.470 nan 0.000 0.327 15 S C 0.000 174.648 174.600 0.079 0.000 1.055 15 S CA 0.000 58.310 58.200 0.183 0.000 1.107 15 S CB 0.000 63.265 63.200 0.108 0.000 0.593 16 T N -0.477 114.121 114.554 0.074 0.000 2.888 16 T HA 0.789 5.139 4.350 0.000 0.000 0.288 16 T C 0.301 175.033 174.700 0.052 0.000 1.063 16 T CA 0.138 62.287 62.100 0.081 0.000 1.010 16 T CB 1.527 70.471 68.868 0.127 0.000 1.214 16 T HN 1.371 nan 8.240 nan 0.000 0.533 17 G N 1.162 109.991 108.800 0.050 0.000 2.712 17 G HA2 0.115 4.075 3.960 0.000 0.000 0.683 17 G HA3 0.115 4.075 3.960 0.000 0.000 0.683 17 G C -3.158 171.740 174.900 -0.003 0.000 1.320 17 G CA -0.674 44.442 45.100 0.027 0.000 0.847 17 G HN 0.847 nan 8.290 nan 0.000 0.553 18 P HA 0.363 nan 4.420 nan 0.000 0.268 18 P C 0.253 177.527 177.300 -0.044 0.000 1.208 18 P CA -0.132 62.953 63.100 -0.025 0.000 0.777 18 P CB 0.349 32.044 31.700 -0.009 0.000 0.875 19 I N 3.742 124.270 120.570 -0.071 0.000 2.337 19 I HA 0.164 4.335 4.170 0.000 0.000 0.291 19 I C -1.875 174.231 176.117 -0.019 0.000 1.046 19 I CA -2.244 59.000 61.300 -0.093 0.000 1.324 19 I CB 0.287 38.200 38.000 -0.146 0.000 1.409 19 I HN 0.171 nan 8.210 nan 0.000 0.494 20 P HA -0.114 nan 4.420 nan 0.000 0.257 20 P C 0.874 178.217 177.300 0.072 0.000 1.144 20 P CA 1.105 64.243 63.100 0.063 0.000 0.761 20 P CB 0.233 31.994 31.700 0.102 0.000 0.734 21 G N 1.876 110.715 108.800 0.064 0.000 2.176 21 G HA2 -0.188 3.772 3.960 0.000 0.000 0.253 21 G HA3 -0.188 3.772 3.960 0.000 0.000 0.253 21 G C 0.201 175.121 174.900 0.034 0.000 0.979 21 G CA 0.230 45.370 45.100 0.066 0.000 0.641 21 G HN 0.887 nan 8.290 nan 0.000 0.530 22 S N -0.897 114.810 115.700 0.012 0.000 2.667 22 S HA 0.895 5.365 4.470 0.000 0.000 0.292 22 S C -0.431 174.154 174.600 -0.025 0.000 1.126 22 S CA -0.019 58.170 58.200 -0.018 0.000 0.881 22 S CB 2.359 65.535 63.200 -0.039 0.000 1.132 22 S HN 1.324 nan 8.310 nan 0.000 0.492 23 R N -0.018 120.457 120.500 -0.041 0.000 2.795 23 R HA 0.653 4.993 4.340 0.000 0.000 0.275 23 R C -1.338 174.917 176.300 -0.075 0.000 0.981 23 R CA -1.003 55.071 56.100 -0.042 0.000 0.917 23 R CB 1.190 31.475 30.300 -0.025 0.000 1.202 23 R HN 0.585 nan 8.270 nan 0.000 0.469 24 K N 1.756 122.104 120.400 -0.087 0.000 2.368 24 K HA 0.228 4.548 4.320 0.000 0.000 0.282 24 K C -0.503 175.977 176.600 -0.200 0.000 1.035 24 K CA -0.298 55.883 56.287 -0.177 0.000 0.973 24 K CB 0.974 33.372 32.500 -0.170 0.000 0.957 24 K HN 0.576 nan 8.250 nan 0.000 0.474 25 V N 1.413 121.149 119.914 -0.298 0.000 3.001 25 V HA 0.657 4.778 4.120 0.000 0.000 0.314 25 V C -1.345 174.528 176.094 -0.369 0.000 1.099 25 V CA -0.975 61.204 62.300 -0.201 0.000 0.989 25 V CB 1.278 33.060 31.823 -0.068 0.000 1.040 25 V HN 0.703 nan 8.190 nan 0.000 0.434 26 Y N 0.718 121.048 120.300 0.051 0.000 2.499 26 Y HA 0.705 5.255 4.550 0.000 0.000 0.347 26 Y C 0.045 175.987 175.900 0.069 0.000 0.987 26 Y CA -0.463 57.669 58.100 0.054 0.000 1.044 26 Y CB 2.261 40.717 38.460 -0.007 0.000 1.245 26 Y HN 0.814 nan 8.280 nan 0.000 0.461 27 Q N 1.564 121.517 119.800 0.255 0.000 2.345 27 Q HA 0.865 5.205 4.340 0.000 0.000 0.268 27 Q C -1.462 174.594 176.000 0.093 0.000 1.054 27 Q CA -1.043 54.850 55.803 0.151 0.000 0.835 27 Q CB 2.058 30.892 28.738 0.160 0.000 1.339 27 Q HN 0.844 nan 8.270 nan 0.000 0.447 28 A N 1.589 124.445 122.820 0.059 0.000 2.325 28 A HA 0.777 5.097 4.320 0.000 0.000 0.333 28 A C 0.017 177.625 177.584 0.039 0.000 1.155 28 A CA -0.082 51.977 52.037 0.035 0.000 0.814 28 A CB 1.204 20.221 19.000 0.028 0.000 1.206 28 A HN 0.796 nan 8.150 nan 0.000 0.482 29 G N -0.081 108.747 108.800 0.047 0.000 2.569 29 G HA2 0.427 4.387 3.960 0.000 0.000 0.249 29 G HA3 0.427 4.387 3.960 0.000 0.000 0.249 29 G C 0.146 175.089 174.900 0.071 0.000 1.216 29 G CA -0.034 45.116 45.100 0.083 0.000 0.845 29 G HN 0.826 nan 8.290 nan 0.000 0.568 30 E N 0.292 120.532 120.200 0.067 0.000 2.192 30 E HA 0.083 4.433 4.350 0.000 0.000 0.196 30 E C 2.635 179.217 176.600 -0.030 0.000 0.922 30 E CA -0.223 56.191 56.400 0.023 0.000 0.924 30 E CB -0.022 29.693 29.700 0.026 0.000 0.911 30 E HN 0.382 nan 8.360 nan 0.000 0.478 31 L N 0.224 121.415 121.223 -0.053 0.000 2.081 31 L HA -0.128 4.212 4.340 0.000 0.000 0.212 31 L C 0.353 176.920 176.870 -0.506 0.000 1.080 31 L CA 1.123 55.797 54.840 -0.276 0.000 0.754 31 L CB -0.107 41.802 42.059 -0.250 0.000 0.893 31 L HN 0.064 nan 8.230 nan 0.000 0.433 32 F N -1.252 118.703 119.950 0.007 0.000 2.564 32 F HA 0.312 4.839 4.527 0.000 0.000 0.368 32 F C -1.728 174.073 175.800 0.002 0.000 1.127 32 F CA -1.951 56.050 58.000 0.003 0.000 1.170 32 F CB 0.638 39.643 39.000 0.009 0.000 1.397 32 F HN -0.249 nan 8.300 nan 0.000 0.493 33 P HA -0.190 nan 4.420 nan 0.000 0.223 33 P C 1.219 178.555 177.300 0.060 0.000 1.144 33 P CA 1.254 64.389 63.100 0.059 0.000 0.783 33 P CB 0.251 31.965 31.700 0.023 0.000 0.771 34 E N -0.717 119.533 120.200 0.084 0.000 2.472 34 E HA 0.022 4.372 4.350 0.000 0.000 0.196 34 E C 0.519 177.146 176.600 0.045 0.000 1.033 34 E CA 0.009 56.437 56.400 0.048 0.000 0.886 34 E CB -0.617 29.108 29.700 0.040 0.000 0.944 34 E HN 0.264 nan 8.360 nan 0.000 0.492 35 L N 2.489 123.761 121.223 0.082 0.000 2.499 35 L HA 0.124 4.464 4.340 0.000 0.000 0.273 35 L C 0.529 177.406 176.870 0.012 0.000 1.195 35 L CA 0.232 55.117 54.840 0.075 0.000 0.882 35 L CB 0.323 42.441 42.059 0.098 0.000 1.133 35 L HN -0.154 nan 8.230 nan 0.000 0.483 36 R N 3.713 124.214 120.500 0.003 0.000 2.358 36 R HA 0.365 4.706 4.340 0.000 0.000 0.309 36 R C -1.016 175.270 176.300 -0.023 0.000 1.026 36 R CA -0.620 55.474 56.100 -0.011 0.000 0.909 36 R CB 1.272 31.501 30.300 -0.118 0.000 1.153 36 R HN 0.292 nan 8.270 nan 0.000 0.515 37 V N 5.075 124.857 119.914 -0.219 0.000 2.498 37 V HA 0.250 4.370 4.120 0.000 0.000 0.279 37 V C -1.906 173.982 176.094 -0.344 0.000 1.048 37 V CA -1.805 60.173 62.300 -0.536 0.000 0.967 37 V CB 1.304 32.699 31.823 -0.713 0.000 0.988 37 V HN 0.463 nan 8.190 nan 0.000 0.473 38 P HA 0.604 nan 4.420 nan 0.000 0.281 38 P C -1.096 175.566 177.300 -1.062 0.000 1.249 38 P CA -0.265 62.442 63.100 -0.655 0.000 0.810 38 P CB 0.641 32.071 31.700 -0.450 0.000 1.008 39 F N -0.779 118.910 119.950 -0.435 0.000 2.713 39 F HA 0.472 4.999 4.527 0.000 0.000 0.311 39 F C 0.227 175.833 175.800 -0.322 0.000 1.141 39 F CA -0.923 56.871 58.000 -0.343 0.000 0.939 39 F CB 1.830 40.669 39.000 -0.268 0.000 1.325 39 F HN 0.185 nan 8.300 nan 0.000 0.453 40 R N 0.906 121.374 120.500 -0.053 0.000 2.778 40 R HA 0.740 5.080 4.340 0.000 0.000 0.277 40 R C -1.497 174.743 176.300 -0.100 0.000 0.977 40 R CA -0.790 55.250 56.100 -0.101 0.000 0.950 40 R CB 2.728 32.958 30.300 -0.117 0.000 1.165 40 R HN 0.743 nan 8.270 nan 0.000 0.474 41 E N 1.920 122.060 120.200 -0.101 0.000 2.248 41 E HA 0.345 4.695 4.350 0.000 0.000 0.267 41 E C -1.597 174.949 176.600 -0.090 0.000 0.877 41 E CA -0.992 55.344 56.400 -0.107 0.000 0.759 41 E CB 2.532 32.179 29.700 -0.087 0.000 1.182 41 E HN 0.415 nan 8.360 nan 0.000 0.418 42 V N 2.973 122.827 119.914 -0.100 0.000 2.407 42 V HA 0.556 4.676 4.120 0.000 0.000 0.291 42 V C -0.129 175.940 176.094 -0.043 0.000 1.018 42 V CA -0.589 61.675 62.300 -0.061 0.000 0.842 42 V CB 1.140 32.925 31.823 -0.063 0.000 0.996 42 V HN 0.765 nan 8.190 nan 0.000 0.426 43 A N 5.007 127.815 122.820 -0.021 0.000 2.303 43 A HA 0.890 5.210 4.320 0.000 0.000 0.317 43 A C -0.139 177.450 177.584 0.008 0.000 1.149 43 A CA -0.422 51.607 52.037 -0.014 0.000 0.822 43 A CB 1.435 20.425 19.000 -0.016 0.000 1.131 43 A HN 1.262 nan 8.150 nan 0.000 0.493 44 V N -0.023 119.898 119.914 0.012 0.000 3.096 44 V HA 0.572 4.692 4.120 0.000 0.000 0.319 44 V C 0.290 176.420 176.094 0.060 0.000 1.103 44 V CA -0.885 61.440 62.300 0.042 0.000 1.016 44 V CB 0.827 32.672 31.823 0.035 0.000 1.090 44 V HN 0.958 nan 8.190 nan 0.000 0.449 45 H N 2.765 121.833 119.070 -0.004 0.000 3.092 45 H HA 0.147 4.704 4.556 0.000 0.000 0.332 45 H C -1.899 173.430 175.328 0.002 0.000 1.029 45 H CA 0.177 56.227 56.048 0.003 0.000 1.376 45 H CB 1.064 30.829 29.762 0.004 0.000 1.329 45 H HN 0.535 nan 8.280 nan 0.000 0.598 46 P HA -0.211 nan 4.420 nan 0.000 0.216 46 P C 1.551 178.818 177.300 -0.054 0.000 1.150 46 P CA 1.973 64.967 63.100 -0.177 0.000 0.837 46 P CB 0.019 31.574 31.700 -0.241 0.000 0.786 47 S N -0.062 115.656 115.700 0.029 0.000 2.402 47 S HA -0.202 4.269 4.470 0.000 0.000 0.233 47 S C 2.004 176.655 174.600 0.085 0.000 1.030 47 S CA 1.372 59.642 58.200 0.117 0.000 1.003 47 S CB -1.350 61.999 63.200 0.248 0.000 0.813 47 S HN 0.140 nan 8.310 nan 0.000 0.477 48 A N 1.562 124.436 122.820 0.090 0.000 2.119 48 A HA 0.105 4.425 4.320 0.000 0.000 0.217 48 A C 1.061 178.664 177.584 0.031 0.000 1.153 48 A CA 0.695 52.767 52.037 0.059 0.000 0.692 48 A CB -0.751 18.284 19.000 0.060 0.000 0.799 48 A HN 0.635 nan 8.150 nan 0.000 0.458 49 N N 0.319 119.031 118.700 0.019 0.000 2.727 49 N HA -0.143 4.597 4.740 0.000 0.000 0.249 49 N C -0.643 174.867 175.510 0.001 0.000 1.048 49 N CA 1.339 54.392 53.050 0.005 0.000 0.714 49 N CB -0.933 37.559 38.487 0.007 0.000 0.959 49 N HN 0.794 nan 8.380 nan 0.000 0.544 50 E N 0.054 120.254 120.200 0.001 0.000 2.207 50 E HA 0.483 4.833 4.350 0.000 0.000 0.270 50 E C -2.149 174.443 176.600 -0.013 0.000 0.927 50 E CA -1.611 54.787 56.400 -0.004 0.000 0.799 50 E CB 1.176 30.878 29.700 0.003 0.000 1.172 50 E HN 0.038 nan 8.360 nan 0.000 0.404 51 P HA 0.212 nan 4.420 nan 0.000 0.274 51 P C -2.590 174.689 177.300 -0.035 0.000 1.246 51 P CA -1.259 61.823 63.100 -0.030 0.000 0.795 51 P CB -0.304 31.376 31.700 -0.034 0.000 1.006 52 P HA 0.091 nan 4.420 nan 0.000 0.271 52 P C -0.763 176.488 177.300 -0.081 0.000 1.218 52 P CA -0.059 63.007 63.100 -0.057 0.000 0.780 52 P CB 0.322 31.985 31.700 -0.062 0.000 0.901 53 V N 3.311 123.166 119.914 -0.098 0.000 2.461 53 V HA 0.154 4.274 4.120 0.000 0.000 0.275 53 V C 0.469 176.434 176.094 -0.216 0.000 1.047 53 V CA 0.134 62.345 62.300 -0.148 0.000 0.955 53 V CB 0.892 32.619 31.823 -0.160 0.000 0.988 53 V HN 0.551 nan 8.190 nan 0.000 0.471 54 T N 7.256 121.676 114.554 -0.222 0.000 2.771 54 T HA 0.603 4.953 4.350 0.000 0.000 0.291 54 T C -0.171 174.361 174.700 -0.280 0.000 0.954 54 T CA 0.042 61.998 62.100 -0.239 0.000 1.045 54 T CB 0.427 69.131 68.868 -0.274 0.000 0.917 54 T HN 0.368 nan 8.240 nan 0.000 0.484 55 I N 2.502 122.915 120.570 -0.261 0.000 2.530 55 I HA 0.330 4.500 4.170 0.000 0.000 0.297 55 I C -0.476 175.633 176.117 -0.015 0.000 1.011 55 I CA -1.262 59.844 61.300 -0.324 0.000 1.107 55 I CB 1.739 39.427 38.000 -0.521 0.000 1.285 55 I HN 0.591 nan 8.210 nan 0.000 0.436 56 Y N 4.634 124.908 120.300 -0.042 0.000 2.544 56 Y HA 0.081 4.631 4.550 0.000 0.000 0.330 56 Y C -0.212 175.668 175.900 -0.033 0.000 1.136 56 Y CA 0.344 58.463 58.100 0.032 0.000 1.417 56 Y CB 0.472 38.966 38.460 0.057 0.000 1.229 56 Y HN 0.464 nan 8.280 nan 0.000 0.532 57 D N 8.348 128.534 120.400 -0.356 0.000 2.473 57 D HA 0.290 4.930 4.640 0.000 0.000 0.253 57 D C -2.393 173.742 176.300 -0.276 0.000 1.233 57 D CA -2.174 51.691 54.000 -0.226 0.000 0.908 57 D CB 1.698 42.360 40.800 -0.230 0.000 1.170 57 D HN 0.308 nan 8.370 nan 0.000 0.558 58 P HA 0.048 nan 4.420 nan 0.000 0.261 58 P C 0.900 178.177 177.300 -0.037 0.000 1.268 58 P CA 0.038 63.115 63.100 -0.038 0.000 0.833 58 P CB 0.306 32.060 31.700 0.090 0.000 1.231 59 S N -0.706 114.956 115.700 -0.064 0.000 2.419 59 S HA 0.094 4.565 4.470 0.000 0.000 0.235 59 S C 1.390 176.015 174.600 0.041 0.000 1.019 59 S CA 0.852 59.027 58.200 -0.040 0.000 0.982 59 S CB -1.536 61.606 63.200 -0.096 0.000 0.789 59 S HN 0.462 nan 8.310 nan 0.000 0.490 60 G N 1.631 110.425 108.800 -0.009 0.000 2.642 60 G HA2 -0.176 3.785 3.960 0.000 0.000 0.231 60 G HA3 -0.176 3.785 3.960 0.000 0.000 0.231 60 G C -2.094 172.799 174.900 -0.012 0.000 1.338 60 G CA -0.311 44.791 45.100 0.004 0.000 0.883 60 G HN 0.277 nan 8.290 nan 0.000 0.570 61 P HA -0.013 nan 4.420 nan 0.000 0.223 61 P C 1.271 178.472 177.300 -0.165 0.000 1.144 61 P CA 1.422 64.439 63.100 -0.138 0.000 0.783 61 P CB -0.144 31.414 31.700 -0.236 0.000 0.771 62 Y N -0.319 119.975 120.300 -0.009 0.000 2.497 62 Y HA -0.080 4.470 4.550 0.000 0.000 0.292 62 Y C 2.048 177.932 175.900 -0.026 0.000 1.137 62 Y CA 1.336 59.430 58.100 -0.010 0.000 1.285 62 Y CB -0.903 37.550 38.460 -0.010 0.000 0.991 62 Y HN 0.079 nan 8.280 nan 0.000 0.556 63 S N -1.739 114.008 115.700 0.078 0.000 2.575 63 S HA 0.109 4.580 4.470 0.000 0.000 0.237 63 S C -0.235 174.362 174.600 -0.004 0.000 0.975 63 S CA -0.514 57.693 58.200 0.011 0.000 0.960 63 S CB 0.034 63.206 63.200 -0.047 0.000 0.822 63 S HN 0.147 nan 8.310 nan 0.000 0.472 64 D N 1.964 122.372 120.400 0.013 0.000 2.440 64 D HA 0.415 5.055 4.640 0.000 0.000 0.239 64 D C -2.090 174.227 176.300 0.028 0.000 1.084 64 D CA -2.170 51.849 54.000 0.031 0.000 0.843 64 D CB 2.228 43.077 40.800 0.081 0.000 1.097 64 D HN -0.056 nan 8.370 nan 0.000 0.531 65 P HA -0.037 nan 4.420 nan 0.000 0.218 65 P C 0.942 178.253 177.300 0.019 0.000 1.149 65 P CA 0.781 63.895 63.100 0.024 0.000 0.817 65 P CB 0.278 31.992 31.700 0.023 0.000 0.785 66 A N -1.078 121.756 122.820 0.024 0.000 2.172 66 A HA -0.027 4.293 4.320 0.000 0.000 0.216 66 A C 1.105 178.686 177.584 -0.005 0.000 1.154 66 A CA 0.668 52.711 52.037 0.010 0.000 0.701 66 A CB -1.024 17.983 19.000 0.012 0.000 0.789 66 A HN 0.168 nan 8.150 nan 0.000 0.465 67 I N 0.414 120.979 120.570 -0.007 0.000 2.339 67 I HA 0.159 4.329 4.170 0.000 0.000 0.290 67 I C -0.225 175.875 176.117 -0.028 0.000 0.994 67 I CA -0.381 60.901 61.300 -0.030 0.000 1.191 67 I CB 1.571 39.541 38.000 -0.050 0.000 1.343 67 I HN 0.212 nan 8.210 nan 0.000 0.458 68 Q N 5.365 125.151 119.800 -0.024 0.000 2.286 68 Q HA 0.390 4.730 4.340 0.000 0.000 0.257 68 Q C -0.701 175.289 176.000 -0.018 0.000 0.941 68 Q CA -0.491 55.306 55.803 -0.009 0.000 0.912 68 Q CB 1.897 30.635 28.738 0.001 0.000 1.192 68 Q HN 0.420 nan 8.270 nan 0.000 0.410 69 I N 2.715 123.289 120.570 0.007 0.000 2.315 69 I HA 0.161 4.331 4.170 0.000 0.000 0.291 69 I C -0.385 175.776 176.117 0.073 0.000 1.006 69 I CA -0.282 61.034 61.300 0.025 0.000 1.265 69 I CB 1.156 39.216 38.000 0.100 0.000 1.387 69 I HN 0.560 nan 8.210 nan 0.000 0.475 70 D N 6.553 127.002 120.400 0.083 0.000 2.421 70 D HA 0.258 4.898 4.640 0.000 0.000 0.254 70 D C 1.142 177.551 176.300 0.182 0.000 1.238 70 D CA -0.488 53.582 54.000 0.117 0.000 0.919 70 D CB 0.889 41.739 40.800 0.082 0.000 1.152 70 D HN 0.500 nan 8.370 nan 0.000 0.552 71 I N 0.107 120.823 120.570 0.243 0.000 2.700 71 I HA -0.059 4.111 4.170 0.000 0.000 0.261 71 I C 0.864 177.280 176.117 0.499 0.000 1.219 71 I CA 0.990 62.503 61.300 0.354 0.000 1.463 71 I CB 0.098 38.313 38.000 0.359 0.000 1.092 71 I HN 0.201 nan 8.210 nan 0.000 0.452 72 E N 1.104 121.543 120.200 0.398 0.000 2.371 72 E HA -0.034 4.316 4.350 0.000 0.000 0.194 72 E C 1.483 178.134 176.600 0.086 0.000 1.012 72 E CA 0.223 56.817 56.400 0.323 0.000 0.860 72 E CB 0.204 30.042 29.700 0.231 0.000 0.811 72 E HN 0.409 nan 8.360 nan 0.000 0.502 73 K N -0.071 120.414 120.400 0.141 0.000 2.334 73 K HA 0.158 4.478 4.320 0.000 0.000 0.195 73 K C 0.880 177.598 176.600 0.197 0.000 1.045 73 K CA 0.714 57.047 56.287 0.077 0.000 1.004 73 K CB 0.471 32.999 32.500 0.046 0.000 0.837 73 K HN 0.176 nan 8.250 nan 0.000 0.510 74 G N 1.387 110.345 108.800 0.265 0.000 2.828 74 G HA2 -0.259 3.701 3.960 0.000 0.000 0.463 74 G HA3 -0.259 3.701 3.960 0.000 0.000 0.463 74 G C -0.399 174.555 174.900 0.089 0.000 1.394 74 G CA -0.513 44.710 45.100 0.205 0.000 0.862 74 G HN 0.105 nan 8.290 nan 0.000 0.540 75 L N 0.915 122.158 121.223 0.033 0.000 2.472 75 L HA 0.377 4.717 4.340 0.000 0.000 0.260 75 L C -1.535 175.317 176.870 -0.031 0.000 1.209 75 L CA -1.576 53.237 54.840 -0.045 0.000 0.817 75 L CB 0.283 42.287 42.059 -0.093 0.000 1.106 75 L HN 0.379 nan 8.230 nan 0.000 0.479 76 P HA 0.071 nan 4.420 nan 0.000 0.267 76 P C -0.770 176.496 177.300 -0.057 0.000 1.209 76 P CA -0.012 63.059 63.100 -0.048 0.000 0.763 76 P CB 0.284 31.947 31.700 -0.061 0.000 0.816 77 R N 2.066 122.541 120.500 -0.042 0.000 4.576 77 R HA 0.036 4.376 4.340 0.000 0.000 0.185 77 R C 0.909 177.164 176.300 -0.075 0.000 1.837 77 R CA 0.151 56.216 56.100 -0.058 0.000 1.520 77 R CB -0.766 29.520 30.300 -0.024 0.000 1.403 77 R HN 0.557 nan 8.270 nan 0.000 0.831 78 T N -2.228 112.272 114.554 -0.090 0.000 2.996 78 T HA -0.190 4.160 4.350 0.000 0.000 0.271 78 T C 1.676 176.312 174.700 -0.107 0.000 1.126 78 T CA 0.895 62.943 62.100 -0.086 0.000 1.103 78 T CB -0.007 68.815 68.868 -0.077 0.000 0.870 78 T HN 0.380 nan 8.240 nan 0.000 0.528 79 R N 0.463 120.879 120.500 -0.141 0.000 2.279 79 R HA 0.231 4.571 4.340 0.000 0.000 0.195 79 R C 2.307 178.509 176.300 -0.163 0.000 0.905 79 R CA 0.112 56.106 56.100 -0.177 0.000 1.044 79 R CB 0.067 30.225 30.300 -0.237 0.000 1.056 79 R HN 0.459 nan 8.270 nan 0.000 0.535 80 E N 0.574 120.695 120.200 -0.133 0.000 2.086 80 E HA -0.260 4.090 4.350 0.000 0.000 0.200 80 E C 1.670 178.177 176.600 -0.155 0.000 1.012 80 E CA 1.740 58.056 56.400 -0.142 0.000 0.812 80 E CB -0.088 29.572 29.700 -0.066 0.000 0.743 80 E HN 0.457 nan 8.360 nan 0.000 0.453 81 A N 0.715 123.473 122.820 -0.105 0.000 1.908 81 A HA -0.191 4.129 4.320 0.000 0.000 0.218 81 A C 2.192 179.716 177.584 -0.100 0.000 1.181 81 A CA 1.333 53.320 52.037 -0.083 0.000 0.627 81 A CB -0.686 18.283 19.000 -0.052 0.000 0.818 81 A HN 0.292 nan 8.150 nan 0.000 0.445 82 L N -0.572 120.576 121.223 -0.125 0.000 2.141 82 L HA -0.150 4.191 4.340 0.000 0.000 0.209 82 L C 2.489 179.255 176.870 -0.174 0.000 1.094 82 L CA 0.893 55.643 54.840 -0.151 0.000 0.763 82 L CB -0.400 41.529 42.059 -0.217 0.000 0.908 82 L HN 0.274 nan 8.230 nan 0.000 0.437 83 V N -1.293 118.505 119.914 -0.194 0.000 2.270 83 V HA -0.224 3.896 4.120 0.000 0.000 0.245 83 V C 2.352 178.336 176.094 -0.182 0.000 1.043 83 V CA 1.407 63.586 62.300 -0.201 0.000 1.014 83 V CB -0.315 31.363 31.823 -0.242 0.000 0.645 83 V HN 0.149 nan 8.190 nan 0.000 0.447 84 V N 0.478 120.260 119.914 -0.220 0.000 2.392 84 V HA -0.282 3.838 4.120 0.000 0.000 0.249 84 V C 2.738 178.790 176.094 -0.070 0.000 1.059 84 V CA 2.025 64.228 62.300 -0.163 0.000 1.051 84 V CB -1.037 30.694 31.823 -0.154 0.000 0.658 84 V HN 0.568 nan 8.190 nan 0.000 0.455 85 A N -0.150 122.633 122.820 -0.062 0.000 1.978 85 A HA -0.236 4.084 4.320 0.000 0.000 0.220 85 A C 2.284 179.862 177.584 -0.011 0.000 1.170 85 A CA 1.648 53.671 52.037 -0.023 0.000 0.636 85 A CB -0.491 18.503 19.000 -0.010 0.000 0.810 85 A HN 0.560 nan 8.150 nan 0.000 0.448 86 R N -1.314 119.167 120.500 -0.032 0.000 2.235 86 R HA 0.051 4.391 4.340 0.000 0.000 0.213 86 R C 1.477 177.794 176.300 0.028 0.000 1.059 86 R CA 0.550 56.645 56.100 -0.009 0.000 0.997 86 R CB -0.410 29.857 30.300 -0.056 0.000 0.884 86 R HN 0.700 nan 8.270 nan 0.000 0.462 87 G N 1.610 110.419 108.800 0.015 0.000 2.233 87 G HA2 -0.272 3.688 3.960 0.000 0.000 0.270 87 G HA3 -0.272 3.688 3.960 0.000 0.000 0.270 87 G C 0.263 175.191 174.900 0.047 0.000 1.011 87 G CA 0.737 45.855 45.100 0.031 0.000 0.762 87 G HN 0.347 nan 8.290 nan 0.000 0.511 88 D N -0.676 119.760 120.400 0.061 0.000 2.339 88 D HA 0.196 4.836 4.640 0.000 0.000 0.217 88 D C 1.436 177.767 176.300 0.051 0.000 1.050 88 D CA 1.129 55.172 54.000 0.072 0.000 0.856 88 D CB 0.698 41.579 40.800 0.136 0.000 0.922 88 D HN 0.745 nan 8.370 nan 0.000 0.518 89 V N -1.486 118.460 119.914 0.053 0.000 3.126 89 V HA 0.719 4.839 4.120 0.000 0.000 0.314 89 V C -0.856 175.321 176.094 0.138 0.000 1.138 89 V CA -0.937 61.413 62.300 0.084 0.000 1.034 89 V CB 2.815 34.693 31.823 0.093 0.000 1.075 89 V HN 0.039 nan 8.190 nan 0.000 0.442 90 E N -0.067 120.238 120.200 0.174 0.000 2.408 90 E HA 0.527 4.877 4.350 0.000 0.000 0.275 90 E C -1.149 175.524 176.600 0.123 0.000 0.935 90 E CA -0.918 55.569 56.400 0.144 0.000 0.775 90 E CB 2.394 32.133 29.700 0.066 0.000 1.277 90 E HN 0.754 nan 8.360 nan 0.000 0.455 91 E N 0.680 120.883 120.200 0.004 0.000 2.398 91 E HA 0.155 4.505 4.350 0.000 0.000 0.263 91 E C -0.470 176.085 176.600 -0.076 0.000 1.046 91 E CA -0.354 55.947 56.400 -0.165 0.000 0.908 91 E CB 1.387 30.971 29.700 -0.193 0.000 0.963 91 E HN 0.227 nan 8.360 nan 0.000 0.431 92 V N 3.314 123.176 119.914 -0.086 0.000 2.432 92 V HA 0.041 4.161 4.120 0.000 0.000 0.271 92 V C 1.158 177.232 176.094 -0.034 0.000 1.046 92 V CA 0.422 62.708 62.300 -0.024 0.000 0.945 92 V CB 0.755 32.588 31.823 0.016 0.000 0.992 92 V HN 0.920 nan 8.190 nan 0.000 0.471 93 A N 4.124 126.933 122.820 -0.018 0.000 1.863 93 A HA -0.183 4.137 4.320 0.000 0.000 0.218 93 A C 1.088 178.660 177.584 -0.021 0.000 1.233 93 A CA 2.134 54.160 52.037 -0.018 0.000 0.655 93 A CB -0.181 18.814 19.000 -0.008 0.000 0.839 93 A HN 0.768 nan 8.150 nan 0.000 0.454 94 D N -0.982 119.410 120.400 -0.013 0.000 2.476 94 D HA 0.530 5.170 4.640 0.000 0.000 0.251 94 D C -2.848 173.446 176.300 -0.011 0.000 1.291 94 D CA -1.283 52.708 54.000 -0.015 0.000 0.939 94 D CB 1.351 42.143 40.800 -0.013 0.000 1.221 94 D HN 0.103 nan 8.370 nan 0.000 0.567 95 P HA 0.438 nan 4.420 nan 0.000 0.278 95 P C 0.111 177.397 177.300 -0.023 0.000 1.266 95 P CA -0.628 62.465 63.100 -0.012 0.000 0.807 95 P CB 1.154 32.845 31.700 -0.015 0.000 1.094 113 P HA 0.336 nan 4.420 nan 0.000 0.267 113 P C -0.244 177.346 177.300 0.483 0.000 1.200 113 P CA 0.050 63.322 63.100 0.288 0.000 0.772 113 P CB 0.562 32.438 31.700 0.293 0.000 0.855 114 E N 1.154 121.552 120.200 0.330 0.000 2.249 114 E HA 0.231 4.581 4.350 0.000 0.000 0.280 114 E C -1.028 175.652 176.600 0.133 0.000 1.016 114 E CA -0.712 55.825 56.400 0.229 0.000 0.830 114 E CB 0.367 30.133 29.700 0.110 0.000 1.081 114 E HN 0.325 nan 8.360 nan 0.000 0.395 115 F N 5.919 125.695 119.950 -0.289 0.000 2.472 115 F HA 0.297 4.824 4.527 0.000 0.000 0.364 115 F C -1.896 173.699 175.800 -0.341 0.000 1.090 115 F CA -2.246 55.341 58.000 -0.689 0.000 1.188 115 F CB 0.826 39.205 39.000 -1.036 0.000 1.105 115 F HN 0.380 nan 8.300 nan 0.000 0.536 116 P HA 0.023 nan 4.420 nan 0.000 0.263 116 P C -0.694 176.200 177.300 -0.676 0.000 1.345 116 P CA 0.444 63.174 63.100 -0.616 0.000 1.119 116 P CB 0.204 31.596 31.700 -0.513 0.000 1.363 117 D N 1.007 121.213 120.400 -0.323 0.000 2.427 117 D HA -0.025 4.615 4.640 0.000 0.000 0.224 117 D C 1.469 177.716 176.300 -0.088 0.000 1.157 117 D CA 0.322 54.245 54.000 -0.128 0.000 0.828 117 D CB 0.141 40.961 40.800 0.034 0.000 0.974 117 D HN 0.240 nan 8.370 nan 0.000 0.498 118 T N -3.688 110.792 114.554 -0.125 0.000 2.821 118 T HA -0.059 4.292 4.350 0.000 0.000 0.267 118 T C 1.991 176.655 174.700 -0.061 0.000 1.046 118 T CA 1.074 63.125 62.100 -0.083 0.000 1.139 118 T CB -0.329 68.488 68.868 -0.086 0.000 0.871 118 T HN 0.076 nan 8.240 nan 0.000 0.454 119 G N 0.894 109.657 108.800 -0.063 0.000 2.848 119 G HA2 0.065 4.025 3.960 0.000 0.000 0.208 119 G HA3 0.065 4.025 3.960 0.000 0.000 0.208 119 G C 0.714 175.610 174.900 -0.007 0.000 1.152 119 G CA -0.510 44.570 45.100 -0.035 0.000 0.789 119 G HN 0.599 nan 8.290 nan 0.000 0.531 120 R N 0.888 121.389 120.500 0.000 0.000 2.265 120 R HA 0.370 4.710 4.340 0.000 0.000 0.328 120 R C -0.324 175.971 176.300 -0.008 0.000 0.969 120 R CA -0.616 55.503 56.100 0.031 0.000 0.832 120 R CB 0.570 30.910 30.300 0.067 0.000 1.139 120 R HN 0.006 nan 8.270 nan 0.000 0.457 121 K N 4.452 124.835 120.400 -0.028 0.000 2.237 121 K HA 0.237 4.557 4.320 0.000 0.000 0.270 121 K C -0.117 176.301 176.600 -0.302 0.000 1.015 121 K CA -0.158 55.996 56.287 -0.221 0.000 0.949 121 K CB 1.070 33.353 32.500 -0.363 0.000 0.976 121 K HN 0.487 nan 8.250 nan 0.000 0.472 122 I N 3.295 123.659 120.570 -0.343 0.000 2.354 122 I HA 0.220 4.390 4.170 0.000 0.000 0.292 122 I C -0.756 175.195 176.117 -0.276 0.000 0.989 122 I CA -0.804 60.387 61.300 -0.182 0.000 1.188 122 I CB 0.569 38.533 38.000 -0.059 0.000 1.342 122 I HN 0.440 nan 8.210 nan 0.000 0.457 123 Y N 5.354 125.711 120.300 0.094 0.000 2.487 123 Y HA 0.681 5.231 4.550 0.000 0.000 0.337 123 Y C 0.108 176.103 175.900 0.158 0.000 1.076 123 Y CA -0.785 57.373 58.100 0.096 0.000 1.115 123 Y CB 1.637 40.137 38.460 0.068 0.000 1.235 123 Y HN 0.453 nan 8.280 nan 0.000 0.468 124 R N 0.962 121.591 120.500 0.214 0.000 2.740 124 R HA 0.807 5.147 4.340 0.000 0.000 0.273 124 R C -1.101 175.171 176.300 -0.047 0.000 0.998 124 R CA -0.995 55.096 56.100 -0.016 0.000 0.900 124 R CB 1.568 31.834 30.300 -0.057 0.000 1.223 124 R HN 0.882 nan 8.270 nan 0.000 0.466 125 A N 2.900 125.617 122.820 -0.171 0.000 2.555 125 A HA 0.111 4.431 4.320 0.000 0.000 0.233 125 A C -0.318 177.234 177.584 -0.054 0.000 1.060 125 A CA 0.333 52.315 52.037 -0.092 0.000 0.759 125 A CB 0.170 19.091 19.000 -0.131 0.000 0.995 125 A HN 0.695 nan 8.150 nan 0.000 0.506 126 K N 2.110 122.502 120.400 -0.015 0.000 2.326 126 K HA 0.243 4.563 4.320 0.000 0.000 0.275 126 K C -2.459 174.129 176.600 -0.019 0.000 1.018 126 K CA -1.243 55.041 56.287 -0.005 0.000 0.962 126 K CB 0.082 32.590 32.500 0.012 0.000 0.953 126 K HN 0.413 nan 8.250 nan 0.000 0.475 127 P HA -0.093 nan 4.420 nan 0.000 0.261 127 P C 0.490 177.783 177.300 -0.011 0.000 1.183 127 P CA 0.985 64.077 63.100 -0.013 0.000 0.761 127 P CB 0.410 32.108 31.700 -0.003 0.000 0.785 128 G N 1.593 110.385 108.800 -0.014 0.000 2.184 128 G HA2 -0.224 3.737 3.960 0.000 0.000 0.264 128 G HA3 -0.224 3.737 3.960 0.000 0.000 0.264 128 G C 0.234 175.121 174.900 -0.022 0.000 0.975 128 G CA -0.075 45.017 45.100 -0.013 0.000 0.642 128 G HN 0.491 nan 8.290 nan 0.000 0.536 129 K N -0.074 120.308 120.400 -0.029 0.000 2.106 129 K HA 0.647 4.967 4.320 0.000 0.000 0.246 129 K C 0.720 177.273 176.600 -0.079 0.000 0.987 129 K CA -0.709 55.555 56.287 -0.037 0.000 0.904 129 K CB 1.314 33.805 32.500 -0.015 0.000 1.071 129 K HN 0.206 nan 8.250 nan 0.000 0.453 130 L N 1.794 122.941 121.223 -0.126 0.000 2.350 130 L HA 0.199 4.539 4.340 0.000 0.000 0.275 130 L C 1.098 177.755 176.870 -0.355 0.000 1.099 130 L CA -0.333 54.337 54.840 -0.283 0.000 0.808 130 L CB 0.945 42.757 42.059 -0.412 0.000 1.149 130 L HN 0.478 nan 8.230 nan 0.000 0.442 131 V N -1.788 117.909 119.914 -0.363 0.000 3.245 131 V HA 0.060 4.181 4.120 0.000 0.000 0.246 131 V C 0.814 176.926 176.094 0.029 0.000 1.487 131 V CA 0.167 62.403 62.300 -0.107 0.000 1.154 131 V CB 0.431 32.250 31.823 -0.006 0.000 0.971 131 V HN 0.790 nan 8.190 nan 0.000 0.443 132 T N -1.174 113.321 114.554 -0.100 0.000 2.913 132 T HA 0.219 4.569 4.350 0.000 0.000 0.297 132 T C 1.059 175.845 174.700 0.143 0.000 1.029 132 T CA -0.059 62.065 62.100 0.041 0.000 1.104 132 T CB 1.375 70.258 68.868 0.026 0.000 0.964 132 T HN 0.213 nan 8.240 nan 0.000 0.532 133 Q N 0.828 120.755 119.800 0.212 0.000 2.133 133 Q HA -0.128 4.212 4.340 0.000 0.000 0.208 133 Q C 1.997 178.094 176.000 0.161 0.000 0.991 133 Q CA 1.257 57.197 55.803 0.229 0.000 0.867 133 Q CB -0.824 27.978 28.738 0.106 0.000 0.911 133 Q HN 0.757 nan 8.270 nan 0.000 0.417 134 L N 1.383 122.659 121.223 0.089 0.000 1.956 134 L HA -0.215 4.125 4.340 0.000 0.000 0.216 134 L C 2.027 178.901 176.870 0.007 0.000 1.073 134 L CA 2.088 56.952 54.840 0.041 0.000 0.762 134 L CB -0.957 41.138 42.059 0.060 0.000 0.889 134 L HN 0.195 nan 8.230 nan 0.000 0.433 135 E N -1.509 118.664 120.200 -0.045 0.000 2.108 135 E HA -0.306 4.044 4.350 0.000 0.000 0.203 135 E C 2.112 178.637 176.600 -0.125 0.000 1.022 135 E CA 2.308 58.628 56.400 -0.133 0.000 0.823 135 E CB -0.413 29.130 29.700 -0.261 0.000 0.744 135 E HN 0.594 nan 8.360 nan 0.000 0.456 136 Y N 0.171 120.475 120.300 0.005 0.000 2.145 136 Y HA -0.204 4.346 4.550 0.000 0.000 0.286 136 Y C 2.412 178.314 175.900 0.003 0.000 1.145 136 Y CA 1.054 59.158 58.100 0.007 0.000 1.148 136 Y CB -0.830 37.635 38.460 0.009 0.000 0.981 136 Y HN 0.061 nan 8.280 nan 0.000 0.507 137 A N 0.399 123.314 122.820 0.160 0.000 1.917 137 A HA -0.237 4.083 4.320 0.000 0.000 0.219 137 A C 2.313 179.915 177.584 0.030 0.000 1.182 137 A CA 1.868 53.950 52.037 0.076 0.000 0.633 137 A CB -0.616 18.406 19.000 0.036 0.000 0.819 137 A HN 0.389 nan 8.150 nan 0.000 0.448 138 R N -0.804 119.699 120.500 0.005 0.000 2.120 138 R HA -0.064 4.276 4.340 0.000 0.000 0.234 138 R C 1.988 178.286 176.300 -0.003 0.000 1.123 138 R CA 1.113 57.200 56.100 -0.021 0.000 0.975 138 R CB -0.388 29.889 30.300 -0.039 0.000 0.866 138 R HN 0.500 nan 8.270 nan 0.000 0.446 139 A N -0.060 122.772 122.820 0.019 0.000 2.259 139 A HA 0.229 4.549 4.320 0.000 0.000 0.208 139 A C 1.283 178.894 177.584 0.046 0.000 1.201 139 A CA 0.725 52.779 52.037 0.029 0.000 0.824 139 A CB -0.101 18.922 19.000 0.037 0.000 0.838 139 A HN 0.450 nan 8.150 nan 0.000 0.485 140 G N -0.916 107.910 108.800 0.044 0.000 2.162 140 G HA2 -0.247 3.713 3.960 0.000 0.000 0.260 140 G HA3 -0.247 3.713 3.960 0.000 0.000 0.260 140 G C 0.159 175.096 174.900 0.062 0.000 0.976 140 G CA 0.414 45.539 45.100 0.043 0.000 0.655 140 G HN 0.484 nan 8.290 nan 0.000 0.533 141 I N 1.139 121.767 120.570 0.096 0.000 2.428 141 I HA 0.407 4.577 4.170 0.000 0.000 0.289 141 I C 0.793 176.971 176.117 0.101 0.000 1.019 141 I CA -0.678 60.687 61.300 0.109 0.000 1.351 141 I CB 1.037 39.139 38.000 0.171 0.000 1.412 141 I HN 0.003 nan 8.210 nan 0.000 0.513 142 I N 5.639 126.265 120.570 0.094 0.000 2.359 142 I HA 0.260 4.431 4.170 0.000 0.000 0.294 142 I C 0.463 176.674 176.117 0.157 0.000 0.987 142 I CA -0.286 61.084 61.300 0.116 0.000 1.225 142 I CB 1.619 39.700 38.000 0.135 0.000 1.366 142 I HN 0.585 nan 8.210 nan 0.000 0.466 143 T N 2.030 116.625 114.554 0.068 0.000 2.949 143 T HA 0.564 4.914 4.350 0.000 0.000 0.287 143 T C 1.044 175.576 174.700 -0.280 0.000 1.034 143 T CA -0.214 61.834 62.100 -0.087 0.000 1.018 143 T CB 1.921 70.602 68.868 -0.312 0.000 1.135 143 T HN 0.582 nan 8.240 nan 0.000 0.532 144 A N 0.937 123.186 122.820 -0.952 0.000 1.873 144 A HA -0.029 4.291 4.320 0.000 0.000 0.218 144 A C 1.171 178.487 177.584 -0.446 0.000 1.193 144 A CA 1.548 52.805 52.037 -1.299 0.000 0.629 144 A CB -1.344 16.987 19.000 -1.116 0.000 0.826 144 A HN 0.944 nan 8.150 nan 0.000 0.447 148 Y N 1.746 122.031 120.300 -0.025 0.000 2.114 148 Y HA -0.274 4.276 4.550 0.000 0.000 0.282 148 Y C 2.149 178.023 175.900 -0.043 0.000 1.165 148 Y CA 2.406 60.476 58.100 -0.049 0.000 1.148 148 Y CB 0.027 38.420 38.460 -0.111 0.000 0.972 148 Y HN -0.029 nan 8.280 nan 0.000 0.504 149 V N -0.249 119.768 119.914 0.172 0.000 2.270 149 V HA -0.313 3.807 4.120 0.000 0.000 0.245 149 V C 2.594 178.700 176.094 0.020 0.000 1.043 149 V CA 1.685 64.026 62.300 0.070 0.000 1.014 149 V CB -1.391 30.404 31.823 -0.047 0.000 0.645 149 V HN 0.566 nan 8.190 nan 0.000 0.447 150 A N -0.036 122.797 122.820 0.021 0.000 1.927 150 A HA -0.271 4.049 4.320 0.000 0.000 0.220 150 A C 2.135 179.713 177.584 -0.011 0.000 1.185 150 A CA 2.453 54.501 52.037 0.017 0.000 0.639 150 A CB -0.655 18.373 19.000 0.047 0.000 0.820 150 A HN 0.553 nan 8.150 nan 0.000 0.451 151 I N -1.647 118.936 120.570 0.021 0.000 2.163 151 I HA -0.231 3.939 4.170 0.000 0.000 0.240 151 I C 2.710 178.941 176.117 0.190 0.000 1.081 151 I CA 1.644 62.979 61.300 0.058 0.000 1.353 151 I CB -0.399 37.618 38.000 0.030 0.000 1.054 151 I HN 0.311 nan 8.210 nan 0.000 0.407 152 R N 0.915 121.486 120.500 0.118 0.000 2.103 152 R HA -0.198 4.142 4.340 0.000 0.000 0.242 152 R C 2.046 178.570 176.300 0.374 0.000 1.142 152 R CA 1.582 57.762 56.100 0.134 0.000 0.960 152 R CB -0.088 30.189 30.300 -0.038 0.000 0.858 152 R HN 0.351 nan 8.270 nan 0.000 0.439 153 E N -0.337 120.017 120.200 0.256 0.000 2.418 153 E HA -0.118 4.232 4.350 0.000 0.000 0.197 153 E C 0.958 177.687 176.600 0.215 0.000 1.026 153 E CA 0.764 57.321 56.400 0.263 0.000 0.862 153 E CB -0.094 29.724 29.700 0.196 0.000 0.799 153 E HN 0.515 nan 8.360 nan 0.000 0.518 154 N N 0.244 119.019 118.700 0.125 0.000 2.424 154 N HA 0.093 4.833 4.740 0.000 0.000 0.178 154 N C 0.251 175.795 175.510 0.056 0.000 1.060 154 N CA -0.069 52.990 53.050 0.016 0.000 0.901 154 N CB 0.277 38.666 38.487 -0.164 0.000 0.979 154 N HN -0.031 nan 8.380 nan 0.000 0.451 155 L N 0.587 121.851 121.223 0.069 0.000 3.843 155 L HA -0.337 4.003 4.340 0.000 0.000 0.411 155 L C -0.289 176.336 176.870 -0.407 0.000 1.205 155 L CA 0.113 54.856 54.840 -0.161 0.000 0.945 155 L CB -1.605 40.471 42.059 0.029 0.000 1.929 155 L HN 0.396 nan 8.230 nan 0.000 0.934 156 R N -2.073 118.170 120.500 -0.429 0.000 3.770 156 R HA -0.156 4.185 4.340 0.000 0.000 0.305 156 R C 0.652 176.890 176.300 -0.103 0.000 1.184 156 R CA 1.114 57.032 56.100 -0.303 0.000 0.823 156 R CB -1.123 28.904 30.300 -0.455 0.000 1.285 156 R HN 0.516 nan 8.270 nan 0.000 0.499 157 R N 1.287 121.794 120.500 0.011 0.000 2.641 157 R HA 0.072 4.413 4.340 0.000 0.000 0.269 157 R C 0.387 176.751 176.300 0.106 0.000 1.074 157 R CA -0.282 55.864 56.100 0.077 0.000 1.133 157 R CB 0.437 30.827 30.300 0.149 0.000 1.029 157 R HN -0.017 nan 8.270 nan 0.000 0.488 158 E N 1.750 121.957 120.200 0.012 0.000 2.105 158 E HA -0.046 4.305 4.350 0.000 0.000 0.285 158 E C 0.605 177.089 176.600 -0.194 0.000 1.055 158 E CA 0.209 56.567 56.400 -0.070 0.000 0.843 158 E CB 1.144 30.802 29.700 -0.070 0.000 1.067 158 E HN 0.438 nan 8.360 nan 0.000 0.398 159 Q N 3.387 122.892 119.800 -0.492 0.000 2.248 159 Q HA -0.247 4.093 4.340 0.000 0.000 0.208 159 Q C 0.570 176.328 176.000 -0.403 0.000 0.984 159 Q CA 1.568 56.854 55.803 -0.860 0.000 0.875 159 Q CB 0.229 28.093 28.738 -1.457 0.000 0.910 159 Q HN 0.630 nan 8.270 nan 0.000 0.433 160 D N 0.661 120.904 120.400 -0.262 0.000 2.286 160 D HA -0.168 4.472 4.640 0.000 0.000 0.197 160 D C 0.186 176.413 176.300 -0.122 0.000 1.015 160 D CA 1.336 55.242 54.000 -0.157 0.000 0.871 160 D CB -0.129 40.604 40.800 -0.112 0.000 1.044 160 D HN 0.076 nan 8.370 nan 0.000 0.459 161 R N 1.531 121.974 120.500 -0.094 0.000 2.351 161 R HA 0.214 4.554 4.340 0.000 0.000 0.321 161 R C -1.938 174.330 176.300 -0.053 0.000 1.182 161 R CA -0.887 55.175 56.100 -0.062 0.000 1.011 161 R CB 0.227 30.500 30.300 -0.045 0.000 1.048 161 R HN 0.231 nan 8.270 nan 0.000 0.490 162 P HA 0.053 nan 4.420 nan 0.000 0.272 162 P C -0.450 176.842 177.300 -0.013 0.000 1.223 162 P CA -0.320 62.761 63.100 -0.031 0.000 0.784 162 P CB 0.850 32.530 31.700 -0.033 0.000 0.923 163 C N 1.482 120.783 119.300 0.002 0.000 2.370 163 C HA 0.336 4.796 4.460 0.000 0.000 0.354 163 C C 0.850 175.839 174.990 -0.002 0.000 1.218 163 C CA -0.598 58.424 59.018 0.006 0.000 2.154 163 C CB 1.203 28.957 27.740 0.024 0.000 2.391 163 C HN 0.472 nan 8.230 nan 0.000 0.540 164 V N 5.056 124.968 119.914 -0.004 0.000 2.530 164 V HA 0.382 4.502 4.120 0.000 0.000 0.282 164 V C 0.059 176.149 176.094 -0.008 0.000 1.048 164 V CA -0.110 62.185 62.300 -0.009 0.000 0.997 164 V CB 0.553 32.369 31.823 -0.011 0.000 0.987 164 V HN 0.777 nan 8.190 nan 0.000 0.477 165 R N 4.689 125.182 120.500 -0.012 0.000 2.298 165 R HA 0.399 4.739 4.340 0.000 0.000 0.310 165 R C -0.821 175.471 176.300 -0.012 0.000 1.068 165 R CA -0.236 55.857 56.100 -0.012 0.000 0.957 165 R CB 0.742 31.032 30.300 -0.018 0.000 1.003 165 R HN 0.848 nan 8.270 nan 0.000 0.454 166 D N 1.348 121.742 120.400 -0.010 0.000 2.476 166 D HA 0.564 5.204 4.640 0.000 0.000 0.251 166 D C -0.345 175.946 176.300 -0.014 0.000 1.291 166 D CA -0.057 53.934 54.000 -0.014 0.000 0.939 166 D CB 1.106 41.895 40.800 -0.020 0.000 1.221 166 D HN 0.682 nan 8.370 nan 0.000 0.567 167 G N 2.155 110.951 108.800 -0.007 0.000 2.336 167 G HA2 0.434 4.394 3.960 0.000 0.000 0.286 167 G HA3 0.434 4.394 3.960 0.000 0.000 0.286 167 G C -1.666 173.252 174.900 0.030 0.000 1.269 167 G CA -0.696 44.410 45.100 0.011 0.000 0.873 167 G HN 0.332 nan 8.290 nan 0.000 0.494 168 E N 0.143 120.404 120.200 0.101 0.000 2.378 168 E HA 0.456 4.806 4.350 0.000 0.000 0.282 168 E C -0.828 175.764 176.600 -0.014 0.000 0.910 168 E CA -0.359 56.025 56.400 -0.027 0.000 0.816 168 E CB 1.194 30.844 29.700 -0.084 0.000 1.359 168 E HN 0.500 nan 8.360 nan 0.000 0.397 169 D N 3.748 124.115 120.400 -0.056 0.000 2.424 169 D HA 0.076 4.716 4.640 0.000 0.000 0.220 169 D C -0.208 176.186 176.300 0.156 0.000 1.150 169 D CA -0.575 53.500 54.000 0.124 0.000 0.831 169 D CB -0.736 40.137 40.800 0.122 0.000 0.981 169 D HN 0.406 nan 8.370 nan 0.000 0.500 170 F N 1.026 120.981 119.950 0.007 0.000 3.004 170 F HA -0.081 4.447 4.527 0.000 0.000 0.264 170 F C 1.630 177.409 175.800 -0.036 0.000 0.979 170 F CA 0.817 58.782 58.000 -0.057 0.000 0.896 170 F CB -1.771 37.150 39.000 -0.133 0.000 0.813 170 F HN 0.389 nan 8.300 nan 0.000 0.804 171 G N -1.444 107.404 108.800 0.079 0.000 2.132 171 G HA2 0.091 4.052 3.960 0.000 0.000 0.234 171 G HA3 0.091 4.052 3.960 0.000 0.000 0.234 171 G C 0.398 175.334 174.900 0.061 0.000 0.989 171 G CA -0.084 45.049 45.100 0.055 0.000 0.676 171 G HN 1.488 nan 8.290 nan 0.000 0.522 172 A N -0.368 122.499 122.820 0.078 0.000 2.296 172 A HA 0.766 5.086 4.320 0.000 0.000 0.264 172 A C 0.951 178.563 177.584 0.048 0.000 1.097 172 A CA 0.775 52.855 52.037 0.071 0.000 0.811 172 A CB 0.632 19.689 19.000 0.094 0.000 1.072 172 A HN 1.079 nan 8.150 nan 0.000 0.495 173 S N 0.553 116.284 115.700 0.051 0.000 2.078 173 S HA 0.337 4.807 4.470 0.000 0.000 0.168 173 S C -0.417 174.206 174.600 0.038 0.000 1.542 173 S CA -0.172 58.068 58.200 0.066 0.000 1.223 173 S CB -0.455 62.816 63.200 0.118 0.000 1.152 173 S HN 0.478 nan 8.310 nan 0.000 0.452 174 I N 3.343 123.884 120.570 -0.048 0.000 2.371 174 I HA 0.281 4.451 4.170 0.000 0.000 0.290 174 I C -2.196 173.779 176.117 -0.237 0.000 1.028 174 I CA -2.139 59.059 61.300 -0.171 0.000 1.345 174 I CB 0.714 38.620 38.000 -0.158 0.000 1.407 174 I HN 0.156 nan 8.210 nan 0.000 0.501 175 P HA 0.170 nan 4.420 nan 0.000 0.277 175 P C -0.242 176.928 177.300 -0.216 0.000 1.240 175 P CA -0.347 62.539 63.100 -0.357 0.000 0.798 175 P CB 0.775 32.096 31.700 -0.632 0.000 0.979 176 D N -0.232 120.112 120.400 -0.094 0.000 2.310 176 D HA 0.018 4.658 4.640 0.000 0.000 0.212 176 D C -0.124 176.228 176.300 0.086 0.000 0.965 176 D CA 1.366 55.353 54.000 -0.022 0.000 0.879 176 D CB -0.214 40.591 40.800 0.008 0.000 0.921 176 D HN 0.275 nan 8.370 nan 0.000 0.510 177 F N -0.374 119.495 119.950 -0.134 0.000 2.639 177 F HA 0.272 4.800 4.527 0.000 0.000 0.320 177 F C -1.445 174.288 175.800 -0.111 0.000 1.128 177 F CA -1.009 56.940 58.000 -0.085 0.000 1.037 177 F CB 1.148 40.120 39.000 -0.047 0.000 1.288 177 F HN -0.439 nan 8.300 nan 0.000 0.463 178 V N 4.616 124.164 119.914 -0.610 0.000 2.432 178 V HA 0.489 4.609 4.120 0.000 0.000 0.275 178 V C 0.102 176.012 176.094 -0.306 0.000 1.043 178 V CA 0.032 62.113 62.300 -0.366 0.000 0.925 178 V CB 1.345 33.091 31.823 -0.129 0.000 0.985 178 V HN 0.844 nan 8.190 nan 0.000 0.466 179 T N 2.876 117.433 114.554 0.004 0.000 2.940 179 T HA 0.488 4.838 4.350 0.000 0.000 0.288 179 T C -2.016 172.794 174.700 0.183 0.000 1.033 179 T CA -2.191 59.977 62.100 0.114 0.000 1.033 179 T CB 2.198 71.180 68.868 0.190 0.000 1.079 179 T HN 0.325 nan 8.240 nan 0.000 0.496 180 P HA -0.101 nan 4.420 nan 0.000 0.215 180 P C 1.444 178.843 177.300 0.164 0.000 1.153 180 P CA 1.010 64.203 63.100 0.154 0.000 0.853 180 P CB 0.128 31.913 31.700 0.142 0.000 0.788 181 E N -0.802 119.493 120.200 0.159 0.000 2.085 181 E HA -0.215 4.136 4.350 0.000 0.000 0.194 181 E C 1.750 178.446 176.600 0.160 0.000 0.994 181 E CA 1.223 57.705 56.400 0.137 0.000 0.801 181 E CB -1.255 28.519 29.700 0.123 0.000 0.743 181 E HN 0.198 nan 8.360 nan 0.000 0.453 182 F N -0.271 119.733 119.950 0.091 0.000 2.216 182 F HA -0.135 4.392 4.527 0.000 0.000 0.300 182 F C 1.864 177.756 175.800 0.153 0.000 1.085 182 F CA 1.199 59.261 58.000 0.103 0.000 1.326 182 F CB -0.051 39.012 39.000 0.105 0.000 1.027 182 F HN -0.047 nan 8.300 nan 0.000 0.497 183 V N 0.985 121.077 119.914 0.297 0.000 2.427 183 V HA -0.237 3.883 4.120 0.000 0.000 0.248 183 V C 2.588 178.721 176.094 0.065 0.000 1.051 183 V CA 2.041 64.477 62.300 0.228 0.000 1.048 183 V CB -0.777 31.157 31.823 0.184 0.000 0.666 183 V HN 0.318 nan 8.190 nan 0.000 0.456 184 R N -0.049 120.480 120.500 0.050 0.000 2.081 184 R HA -0.208 4.132 4.340 0.000 0.000 0.235 184 R C 2.396 178.670 176.300 -0.042 0.000 1.131 184 R CA 1.915 58.027 56.100 0.020 0.000 0.960 184 R CB -0.190 30.134 30.300 0.040 0.000 0.856 184 R HN 0.594 nan 8.270 nan 0.000 0.436 185 Q N -0.034 119.707 119.800 -0.097 0.000 2.030 185 Q HA -0.190 4.150 4.340 0.000 0.000 0.204 185 Q C 2.080 177.954 176.000 -0.210 0.000 0.986 185 Q CA 1.776 57.479 55.803 -0.166 0.000 0.843 185 Q CB -0.057 28.547 28.738 -0.224 0.000 0.904 185 Q HN 0.335 nan 8.270 nan 0.000 0.420 186 E N 0.468 120.494 120.200 -0.290 0.000 2.077 186 E HA -0.160 4.191 4.350 0.000 0.000 0.193 186 E C 2.047 178.597 176.600 -0.084 0.000 0.989 186 E CA 0.930 57.201 56.400 -0.214 0.000 0.800 186 E CB -0.141 29.453 29.700 -0.176 0.000 0.746 186 E HN 0.453 nan 8.360 nan 0.000 0.452 187 I N 1.031 121.579 120.570 -0.038 0.000 2.252 187 I HA -0.237 3.933 4.170 0.000 0.000 0.245 187 I C 2.534 178.590 176.117 -0.102 0.000 1.102 187 I CA 0.918 62.203 61.300 -0.025 0.000 1.385 187 I CB -0.407 37.601 38.000 0.012 0.000 1.064 187 I HN -0.010 nan 8.210 nan 0.000 0.414 188 A N 1.939 124.691 122.820 -0.113 0.000 1.908 188 A HA -0.215 4.105 4.320 0.000 0.000 0.218 188 A C 2.258 179.685 177.584 -0.262 0.000 1.181 188 A CA 1.809 53.755 52.037 -0.152 0.000 0.627 188 A CB -0.619 18.315 19.000 -0.110 0.000 0.818 188 A HN 0.556 nan 8.150 nan 0.000 0.445 189 R N -1.309 119.035 120.500 -0.260 0.000 2.310 189 R HA 0.313 4.653 4.340 0.000 0.000 0.202 189 R C 1.106 177.104 176.300 -0.504 0.000 0.933 189 R CA 0.678 56.578 56.100 -0.333 0.000 1.054 189 R CB -0.561 29.617 30.300 -0.203 0.000 0.985 189 R HN 0.805 nan 8.270 nan 0.000 0.489 190 G N 2.161 110.678 108.800 -0.472 0.000 2.153 190 G HA2 -0.364 3.596 3.960 0.000 0.000 0.252 190 G HA3 -0.364 3.596 3.960 0.000 0.000 0.252 190 G C 0.692 175.600 174.900 0.012 0.000 0.994 190 G CA 0.523 45.393 45.100 -0.383 0.000 0.698 190 G HN 0.483 nan 8.290 nan 0.000 0.521 191 R N -0.117 120.373 120.500 -0.016 0.000 2.359 191 R HA 0.630 4.971 4.340 0.000 0.000 0.231 191 R C 0.794 177.166 176.300 0.120 0.000 0.913 191 R CA 1.169 57.307 56.100 0.063 0.000 1.075 191 R CB 0.003 30.302 30.300 -0.001 0.000 1.087 191 R HN 1.113 nan 8.270 nan 0.000 0.515 192 A N 0.573 123.477 122.820 0.139 0.000 2.605 192 A HA 0.525 4.845 4.320 0.000 0.000 0.294 192 A C -1.395 176.280 177.584 0.151 0.000 1.062 192 A CA -0.906 51.265 52.037 0.222 0.000 0.682 192 A CB 0.971 20.220 19.000 0.416 0.000 1.278 192 A HN 0.322 nan 8.150 nan 0.000 0.410 193 I N -1.521 119.123 120.570 0.124 0.000 2.722 193 I HA 0.743 4.913 4.170 0.000 0.000 0.295 193 I C -1.290 174.835 176.117 0.014 0.000 1.161 193 I CA -0.825 60.519 61.300 0.072 0.000 1.032 193 I CB 2.168 40.217 38.000 0.081 0.000 1.244 193 I HN 0.449 nan 8.210 nan 0.000 0.421 194 I N 5.229 125.800 120.570 0.002 0.000 2.412 194 I HA 0.379 4.549 4.170 0.000 0.000 0.279 194 I C -2.357 173.747 176.117 -0.022 0.000 1.063 194 I CA -1.745 59.536 61.300 -0.031 0.000 1.193 194 I CB 1.147 39.120 38.000 -0.044 0.000 1.370 194 I HN 0.326 nan 8.210 nan 0.000 0.479 195 P HA 0.123 nan 4.420 nan 0.000 0.264 195 P C -0.339 176.965 177.300 0.007 0.000 1.229 195 P CA 0.094 63.195 63.100 0.002 0.000 0.780 195 P CB 0.706 32.414 31.700 0.014 0.000 0.808 196 A N 3.298 126.118 122.820 -0.001 0.000 3.399 196 A HA 0.198 4.518 4.320 0.000 0.000 0.262 196 A C 0.012 177.595 177.584 -0.002 0.000 1.145 196 A CA -0.616 51.412 52.037 -0.014 0.000 0.916 196 A CB -0.847 18.117 19.000 -0.060 0.000 1.360 196 A HN 0.499 nan 8.150 nan 0.000 0.628 197 N N 1.436 120.136 118.700 0.001 0.000 2.292 197 N HA 0.006 4.746 4.740 0.000 0.000 0.258 197 N C 1.558 177.095 175.510 0.045 0.000 1.261 197 N CA 0.625 53.681 53.050 0.009 0.000 0.845 197 N CB 0.362 38.816 38.487 -0.055 0.000 1.064 197 N HN 0.683 nan 8.380 nan 0.000 0.471 198 I N 0.856 121.468 120.570 0.070 0.000 2.567 198 I HA -0.166 4.004 4.170 0.000 0.000 0.257 198 I C 0.381 176.536 176.117 0.064 0.000 1.184 198 I CA 1.247 62.571 61.300 0.039 0.000 1.451 198 I CB -0.258 37.771 38.000 0.049 0.000 1.089 198 I HN 0.485 nan 8.210 nan 0.000 0.441 199 N N 0.577 119.351 118.700 0.124 0.000 2.449 199 N HA -0.051 4.689 4.740 0.000 0.000 0.191 199 N C 0.240 175.828 175.510 0.130 0.000 1.161 199 N CA 0.474 53.611 53.050 0.145 0.000 0.863 199 N CB -0.480 38.075 38.487 0.113 0.000 0.980 199 N HN 0.618 nan 8.380 nan 0.000 0.458 200 H N -0.536 118.513 119.070 -0.036 0.000 2.432 200 H HA 0.241 4.797 4.556 0.000 0.000 0.226 200 H C 1.017 176.300 175.328 -0.074 0.000 1.634 200 H CA -0.478 55.532 56.048 -0.063 0.000 1.253 200 H CB 0.047 29.758 29.762 -0.085 0.000 1.584 200 H HN 0.118 nan 8.280 nan 0.000 0.545 201 G N 1.573 110.337 108.800 -0.060 0.000 2.559 201 G HA2 -0.198 3.762 3.960 0.000 0.000 0.216 201 G HA3 -0.198 3.762 3.960 0.000 0.000 0.216 201 G C 1.152 175.920 174.900 -0.220 0.000 1.126 201 G CA 0.105 45.123 45.100 -0.137 0.000 0.778 201 G HN 0.479 nan 8.290 nan 0.000 0.543 202 E N -0.723 119.296 120.200 -0.302 0.000 2.427 202 E HA 0.090 4.441 4.350 0.000 0.000 0.196 202 E C 0.884 177.243 176.600 -0.402 0.000 1.028 202 E CA -0.370 55.854 56.400 -0.293 0.000 0.864 202 E CB 0.081 29.674 29.700 -0.178 0.000 0.813 202 E HN 0.398 nan 8.360 nan 0.000 0.514 203 L N 1.833 122.689 121.223 -0.613 0.000 2.410 203 L HA 0.076 4.416 4.340 0.000 0.000 0.273 203 L C -0.397 176.250 176.870 -0.370 0.000 1.152 203 L CA 0.169 54.702 54.840 -0.512 0.000 0.855 203 L CB 0.668 42.427 42.059 -0.500 0.000 1.129 203 L HN -0.087 nan 8.230 nan 0.000 0.463 204 E N 7.098 127.129 120.200 -0.281 0.000 2.001 204 E HA 0.281 4.631 4.350 0.000 0.000 0.279 204 E C -2.126 174.267 176.600 -0.344 0.000 1.045 204 E CA -1.738 54.466 56.400 -0.328 0.000 0.833 204 E CB 0.321 29.971 29.700 -0.082 0.000 1.077 204 E HN 0.574 nan 8.360 nan 0.000 0.397 208 I N 1.769 122.332 120.570 -0.012 0.000 2.362 208 I HA 0.727 4.897 4.170 0.000 0.000 0.289 208 I C 0.622 176.880 176.117 0.236 0.000 0.994 208 I CA -0.182 61.164 61.300 0.076 0.000 1.158 208 I CB 2.086 40.078 38.000 -0.012 0.000 1.315 208 I HN 1.085 nan 8.210 nan 0.000 0.451 209 G N 4.362 113.373 108.800 0.351 0.000 2.429 209 G HA2 0.141 4.101 3.960 0.000 0.000 0.300 209 G HA3 0.141 4.101 3.960 0.000 0.000 0.300 209 G C -0.064 174.997 174.900 0.268 0.000 1.598 209 G CA -0.791 44.532 45.100 0.372 0.000 0.863 209 G HN 0.658 nan 8.290 nan 0.000 0.614 210 R N 0.379 120.978 120.500 0.167 0.000 2.133 210 R HA -0.117 4.223 4.340 0.000 0.000 0.247 210 R C 1.212 177.545 176.300 0.055 0.000 1.151 210 R CA 1.803 57.980 56.100 0.129 0.000 0.971 210 R CB -0.036 30.333 30.300 0.116 0.000 0.866 210 R HN 0.443 nan 8.270 nan 0.000 0.447 211 N N -0.394 118.229 118.700 -0.129 0.000 2.370 211 N HA 0.027 4.767 4.740 0.000 0.000 0.198 211 N C -0.875 174.320 175.510 -0.526 0.000 1.156 211 N CA 0.492 53.358 53.050 -0.306 0.000 0.839 211 N CB 0.308 38.627 38.487 -0.280 0.000 0.989 211 N HN 0.025 nan 8.380 nan 0.000 0.468 212 F N -0.385 119.696 119.950 0.219 0.000 2.740 212 F HA 0.460 4.987 4.527 0.000 0.000 0.357 212 F C 0.570 176.473 175.800 0.171 0.000 1.141 212 F CA -1.006 57.124 58.000 0.217 0.000 1.044 212 F CB 0.295 39.390 39.000 0.159 0.000 1.430 212 F HN -0.328 nan 8.300 nan 0.000 0.518 213 L N 1.989 123.376 121.223 0.273 0.000 2.455 213 L HA 0.179 4.519 4.340 0.000 0.000 0.272 213 L C -0.454 176.427 176.870 0.019 0.000 1.174 213 L CA -0.497 54.325 54.840 -0.030 0.000 0.869 213 L CB 0.244 42.176 42.059 -0.211 0.000 1.130 213 L HN 0.202 nan 8.230 nan 0.000 0.474 214 V N 4.533 124.461 119.914 0.024 0.000 2.540 214 V HA 0.011 4.131 4.120 0.000 0.000 0.297 214 V C 0.533 176.638 176.094 0.018 0.000 1.024 214 V CA -0.132 62.202 62.300 0.057 0.000 1.105 214 V CB 0.069 31.935 31.823 0.072 0.000 0.938 214 V HN 0.574 nan 8.190 nan 0.000 0.482 215 K N 5.600 126.019 120.400 0.030 0.000 2.123 215 K HA 0.685 5.005 4.320 0.000 0.000 0.248 215 K C -0.255 176.390 176.600 0.075 0.000 0.969 215 K CA -0.541 55.751 56.287 0.008 0.000 0.882 215 K CB 2.470 34.958 32.500 -0.021 0.000 1.080 215 K HN 0.763 nan 8.250 nan 0.000 0.441 216 I N -1.891 118.726 120.570 0.079 0.000 2.892 216 I HA 0.514 4.684 4.170 0.000 0.000 0.306 216 I C -1.062 175.090 176.117 0.059 0.000 1.078 216 I CA -0.905 60.470 61.300 0.125 0.000 1.032 216 I CB 2.460 40.565 38.000 0.175 0.000 1.229 216 I HN 0.522 nan 8.210 nan 0.000 0.435 217 N N 3.340 122.078 118.700 0.063 0.000 2.296 217 N HA 0.768 5.508 4.740 0.000 0.000 0.294 217 N C -1.272 174.136 175.510 -0.170 0.000 1.033 217 N CA -0.409 52.655 53.050 0.023 0.000 0.839 217 N CB 2.191 40.794 38.487 0.194 0.000 1.395 217 N HN 0.986 nan 8.380 nan 0.000 0.479 218 A N 2.589 125.235 122.820 -0.290 0.000 2.340 218 A HA 0.546 4.866 4.320 0.000 0.000 0.331 218 A C -0.795 176.686 177.584 -0.171 0.000 1.140 218 A CA -0.847 50.812 52.037 -0.631 0.000 0.801 218 A CB 0.713 19.286 19.000 -0.713 0.000 1.234 218 A HN 0.791 nan 8.150 nan 0.000 0.469 219 N N 0.775 119.480 118.700 0.008 0.000 2.487 219 N HA 0.563 5.303 4.740 0.000 0.000 0.292 219 N C -0.941 174.637 175.510 0.114 0.000 1.108 219 N CA -0.224 52.903 53.050 0.129 0.000 0.956 219 N CB 1.519 40.136 38.487 0.216 0.000 1.176 219 N HN 0.415 nan 8.380 nan 0.000 0.484 220 I N -0.159 120.465 120.570 0.089 0.000 2.828 220 I HA 0.648 4.818 4.170 0.000 0.000 0.302 220 I C 0.703 176.863 176.117 0.072 0.000 1.101 220 I CA -0.465 60.880 61.300 0.074 0.000 1.031 220 I CB 1.186 39.214 38.000 0.046 0.000 1.231 220 I HN 0.658 nan 8.210 nan 0.000 0.427 221 G N 3.569 112.403 108.800 0.057 0.000 2.465 221 G HA2 0.054 4.014 3.960 0.000 0.000 0.681 221 G HA3 0.054 4.014 3.960 0.000 0.000 0.681 221 G C -1.582 173.339 174.900 0.035 0.000 1.340 221 G CA -0.816 44.312 45.100 0.047 0.000 0.884 221 G HN 0.558 nan 8.290 nan 0.000 0.650 229 V N 0.652 120.354 119.914 -0.353 0.000 2.261 229 V HA 0.131 4.251 4.120 0.000 0.000 0.246 229 V C 3.188 179.062 176.094 -0.367 0.000 1.047 229 V CA 2.235 64.202 62.300 -0.556 0.000 1.015 229 V CB -2.122 28.942 31.823 -1.265 0.000 0.642 229 V HN 1.329 nan 8.190 nan 0.000 0.446 230 A N 0.838 123.477 122.820 -0.302 0.000 1.927 230 A HA -0.316 4.004 4.320 0.000 0.000 0.220 230 A C 1.907 179.420 177.584 -0.118 0.000 1.185 230 A CA 2.542 54.482 52.037 -0.163 0.000 0.639 230 A CB -1.026 17.900 19.000 -0.122 0.000 0.820 230 A HN 0.634 nan 8.150 nan 0.000 0.451 231 D N -0.678 119.647 120.400 -0.125 0.000 2.183 231 D HA -0.069 4.572 4.640 0.000 0.000 0.203 231 D C 1.962 178.214 176.300 -0.080 0.000 0.969 231 D CA 0.961 54.903 54.000 -0.097 0.000 0.842 231 D CB -0.223 40.521 40.800 -0.093 0.000 0.957 231 D HN 0.433 nan 8.370 nan 0.000 0.484 232 E N 0.422 120.569 120.200 -0.088 0.000 2.046 232 E HA -0.063 4.287 4.350 0.000 0.000 0.190 232 E C 2.431 179.013 176.600 -0.030 0.000 0.982 232 E CA 0.308 56.677 56.400 -0.052 0.000 0.800 232 E CB -0.332 29.337 29.700 -0.052 0.000 0.756 232 E HN 0.131 nan 8.360 nan 0.000 0.449 233 V N 1.951 121.846 119.914 -0.033 0.000 2.407 233 V HA -0.249 3.872 4.120 0.000 0.000 0.248 233 V C 2.162 178.220 176.094 -0.060 0.000 1.055 233 V CA 1.979 64.272 62.300 -0.011 0.000 1.049 233 V CB -0.549 31.299 31.823 0.040 0.000 0.662 233 V HN 0.167 nan 8.190 nan 0.000 0.455 234 D N 0.378 120.740 120.400 -0.064 0.000 2.123 234 D HA -0.189 4.451 4.640 0.000 0.000 0.196 234 D C 2.217 178.514 176.300 -0.005 0.000 0.992 234 D CA 1.346 55.306 54.000 -0.066 0.000 0.833 234 D CB -0.110 40.643 40.800 -0.077 0.000 0.954 234 D HN 0.394 nan 8.370 nan 0.000 0.455 235 K N -0.232 120.172 120.400 0.007 0.000 2.147 235 K HA -0.124 4.196 4.320 0.000 0.000 0.205 235 K C 2.271 178.935 176.600 0.107 0.000 1.049 235 K CA 0.713 57.046 56.287 0.077 0.000 0.936 235 K CB -0.175 32.355 32.500 0.050 0.000 0.722 235 K HN 0.290 nan 8.250 nan 0.000 0.446 236 L N 0.507 121.749 121.223 0.032 0.000 2.209 236 L HA -0.066 4.274 4.340 0.000 0.000 0.207 236 L C 2.050 178.899 176.870 -0.034 0.000 1.094 236 L CA 0.614 55.459 54.840 0.009 0.000 0.790 236 L CB 0.058 42.114 42.059 -0.005 0.000 0.932 236 L HN -0.175 nan 8.230 nan 0.000 0.447 237 V N -0.424 119.416 119.914 -0.123 0.000 2.407 237 V HA -0.301 3.819 4.120 0.000 0.000 0.248 237 V C 2.151 178.224 176.094 -0.034 0.000 1.055 237 V CA 2.316 64.466 62.300 -0.250 0.000 1.049 237 V CB -0.799 30.717 31.823 -0.511 0.000 0.662 237 V HN 0.717 nan 8.190 nan 0.000 0.455 238 W N 0.693 121.922 121.300 -0.118 0.000 2.379 238 W HA -0.196 4.464 4.660 0.000 0.000 0.307 238 W C 2.462 179.025 176.519 0.073 0.000 1.200 238 W CA 1.618 58.955 57.345 -0.013 0.000 1.297 238 W CB -0.127 29.374 29.460 0.068 0.000 1.140 238 W HN 0.298 nan 8.180 nan 0.000 0.507 239 A N 0.717 123.618 122.820 0.136 0.000 1.902 239 A HA -0.277 4.043 4.320 0.000 0.000 0.217 239 A C 1.900 179.453 177.584 -0.052 0.000 1.181 239 A CA 3.076 55.123 52.037 0.017 0.000 0.623 239 A CB -1.479 17.519 19.000 -0.003 0.000 0.818 239 A HN 0.427 nan 8.150 nan 0.000 0.443 240 T N -2.452 112.067 114.554 -0.059 0.000 2.951 240 T HA -0.110 4.240 4.350 0.000 0.000 0.268 240 T C 1.918 176.535 174.700 -0.138 0.000 1.073 240 T CA 1.189 63.252 62.100 -0.063 0.000 1.134 240 T CB -0.331 68.522 68.868 -0.024 0.000 0.884 240 T HN 0.510 nan 8.240 nan 0.000 0.479 241 R N -0.176 120.155 120.500 -0.281 0.000 2.105 241 R HA -0.061 4.279 4.340 0.000 0.000 0.239 241 R C 1.506 177.432 176.300 -0.624 0.000 1.135 241 R CA 1.629 57.410 56.100 -0.532 0.000 0.967 241 R CB -0.320 29.486 30.300 -0.824 0.000 0.861 241 R HN 0.616 nan 8.270 nan 0.000 0.442 242 W N -1.864 119.289 121.300 -0.245 0.000 3.278 242 W HA 0.325 4.985 4.660 0.000 0.000 0.308 242 W C 1.098 177.567 176.519 -0.082 0.000 1.253 242 W CA 0.207 57.426 57.345 -0.210 0.000 1.759 242 W CB 1.132 30.392 29.460 -0.333 0.000 1.093 242 W HN 0.391 nan 8.180 nan 0.000 0.648 243 G N -0.660 108.202 108.800 0.104 0.000 2.672 243 G HA2 -0.005 3.955 3.960 0.000 0.000 0.197 243 G HA3 -0.005 3.955 3.960 0.000 0.000 0.197 243 G C 0.207 175.161 174.900 0.090 0.000 0.995 243 G CA -0.521 44.652 45.100 0.122 0.000 0.754 243 G HN 0.261 nan 8.290 nan 0.000 0.505 244 A N 1.097 123.937 122.820 0.034 0.000 2.537 244 A HA 0.457 4.777 4.320 0.000 0.000 0.260 244 A C 1.162 178.764 177.584 0.029 0.000 1.082 244 A CA 1.041 53.073 52.037 -0.009 0.000 0.765 244 A CB 0.141 19.087 19.000 -0.090 0.000 1.019 244 A HN 0.242 nan 8.150 nan 0.000 0.507 245 D N 0.870 121.297 120.400 0.046 0.000 2.249 245 D HA 0.005 4.645 4.640 0.000 0.000 0.205 245 D C 1.059 177.388 176.300 0.050 0.000 0.962 245 D CA 1.895 55.939 54.000 0.073 0.000 0.860 245 D CB 0.231 41.067 40.800 0.061 0.000 0.955 245 D HN 0.759 nan 8.370 nan 0.000 0.505 246 T N -2.406 112.166 114.554 0.030 0.000 2.816 246 T HA 0.614 4.964 4.350 0.000 0.000 0.299 246 T C -0.566 174.157 174.700 0.039 0.000 1.230 246 T CA -0.759 61.373 62.100 0.054 0.000 1.007 246 T CB 2.272 71.189 68.868 0.082 0.000 1.289 246 T HN -0.208 nan 8.240 nan 0.000 0.508 250 L N 1.862 123.164 121.223 0.133 0.000 2.848 250 L HA 0.331 4.671 4.340 0.000 0.000 0.240 250 L C 0.483 177.476 176.870 0.204 0.000 1.232 250 L CA -0.199 54.788 54.840 0.246 0.000 1.031 250 L CB 0.310 42.519 42.059 0.249 0.000 1.338 250 L HN 0.258 nan 8.230 nan 0.000 0.509 251 S N 0.600 116.382 115.700 0.137 0.000 2.549 251 S HA 0.218 4.689 4.470 0.000 0.000 0.283 251 S C 0.540 175.189 174.600 0.083 0.000 1.320 251 S CA -0.083 58.166 58.200 0.082 0.000 1.058 251 S CB 0.701 63.936 63.200 0.058 0.000 0.882 251 S HN 0.470 nan 8.310 nan 0.000 0.498 252 T N 0.273 114.834 114.554 0.012 0.000 2.930 252 T HA 0.880 5.230 4.350 0.000 0.000 0.290 252 T C 0.293 174.994 174.700 0.001 0.000 1.052 252 T CA 0.054 62.144 62.100 -0.016 0.000 1.017 252 T CB 1.555 70.354 68.868 -0.115 0.000 1.137 252 T HN 1.180 nan 8.240 nan 0.000 0.511 253 G N 1.407 110.212 108.800 0.009 0.000 2.428 253 G HA2 0.076 4.036 3.960 0.000 0.000 0.202 253 G HA3 0.076 4.036 3.960 0.000 0.000 0.202 253 G C -0.805 174.111 174.900 0.026 0.000 1.247 253 G CA -0.507 44.600 45.100 0.013 0.000 1.020 253 G HN 1.017 nan 8.290 nan 0.000 0.529 254 R N 0.751 121.266 120.500 0.025 0.000 2.543 254 R HA 0.577 4.917 4.340 0.000 0.000 0.268 254 R C 0.866 177.191 176.300 0.043 0.000 1.067 254 R CA 0.112 56.231 56.100 0.032 0.000 1.142 254 R CB -0.170 30.146 30.300 0.026 0.000 1.110 254 R HN 1.104 nan 8.270 nan 0.000 0.549 255 N N -0.605 118.128 118.700 0.055 0.000 2.863 255 N HA -0.210 4.530 4.740 0.000 0.000 0.245 255 N C 1.233 176.796 175.510 0.089 0.000 1.001 255 N CA 0.792 53.887 53.050 0.076 0.000 0.901 255 N CB -1.061 37.466 38.487 0.066 0.000 1.124 255 N HN 0.821 nan 8.380 nan 0.000 0.582 256 I N -2.243 118.375 120.570 0.080 0.000 2.335 256 I HA -0.269 3.901 4.170 0.000 0.000 0.251 256 I C 2.216 178.379 176.117 0.078 0.000 1.129 256 I CA 1.574 62.918 61.300 0.073 0.000 1.402 256 I CB -0.429 37.614 38.000 0.071 0.000 1.069 256 I HN 0.301 nan 8.210 nan 0.000 0.424 257 H N 1.867 120.945 119.070 0.014 0.000 2.343 257 H HA -0.086 4.470 4.556 0.000 0.000 0.303 257 H C 1.828 177.168 175.328 0.020 0.000 1.068 257 H CA 1.911 57.957 56.048 -0.003 0.000 1.359 257 H CB 0.107 29.855 29.762 -0.023 0.000 1.402 257 H HN 0.373 nan 8.280 nan 0.000 0.515 258 N N 0.782 119.588 118.700 0.176 0.000 2.166 258 N HA -0.106 4.634 4.740 0.000 0.000 0.186 258 N C 2.216 177.852 175.510 0.210 0.000 1.019 258 N CA 0.893 54.045 53.050 0.171 0.000 0.856 258 N CB -0.312 38.290 38.487 0.192 0.000 0.993 258 N HN 0.410 nan 8.380 nan 0.000 0.426 259 I N 0.408 121.092 120.570 0.190 0.000 2.252 259 I HA -0.185 3.985 4.170 0.000 0.000 0.245 259 I C 2.434 178.645 176.117 0.157 0.000 1.102 259 I CA 0.733 62.174 61.300 0.234 0.000 1.385 259 I CB -0.137 37.925 38.000 0.104 0.000 1.064 259 I HN 0.087 nan 8.210 nan 0.000 0.414 260 R N 0.801 121.302 120.500 0.003 0.000 2.200 260 R HA -0.202 4.138 4.340 0.000 0.000 0.234 260 R C 1.724 177.920 176.300 -0.172 0.000 1.127 260 R CA 1.407 57.446 56.100 -0.101 0.000 0.989 260 R CB -0.175 30.008 30.300 -0.194 0.000 0.869 260 R HN 0.341 nan 8.270 nan 0.000 0.459 261 D N -0.446 119.837 120.400 -0.194 0.000 2.104 261 D HA -0.200 4.440 4.640 0.000 0.000 0.194 261 D C 1.513 177.476 176.300 -0.562 0.000 0.994 261 D CA 1.268 55.048 54.000 -0.367 0.000 0.830 261 D CB -0.325 40.282 40.800 -0.322 0.000 0.959 261 D HN 0.299 nan 8.370 nan 0.000 0.452 262 W N 1.034 122.127 121.300 -0.345 0.000 2.358 262 W HA -0.024 4.636 4.660 0.000 0.000 0.303 262 W C 2.479 178.846 176.519 -0.252 0.000 1.208 262 W CA 0.247 57.394 57.345 -0.331 0.000 1.274 262 W CB -0.559 28.839 29.460 -0.103 0.000 1.138 262 W HN -0.033 nan 8.180 nan 0.000 0.515 263 I N -0.150 120.441 120.570 0.035 0.000 2.163 263 I HA -0.307 3.863 4.170 0.000 0.000 0.240 263 I C 2.202 178.281 176.117 -0.064 0.000 1.081 263 I CA 1.385 62.683 61.300 -0.004 0.000 1.353 263 I CB -0.662 37.327 38.000 -0.017 0.000 1.054 263 I HN -0.103 nan 8.210 nan 0.000 0.407 264 I N 0.273 120.745 120.570 -0.163 0.000 2.226 264 I HA -0.250 3.921 4.170 0.000 0.000 0.245 264 I C 2.421 178.490 176.117 -0.079 0.000 1.100 264 I CA 1.153 62.325 61.300 -0.213 0.000 1.374 264 I CB -0.575 37.214 38.000 -0.351 0.000 1.057 264 I HN 0.219 nan 8.210 nan 0.000 0.413 265 R N 0.998 121.361 120.500 -0.229 0.000 2.285 265 R HA -0.022 4.318 4.340 0.000 0.000 0.213 265 R C 0.978 177.248 176.300 -0.050 0.000 1.068 265 R CA 0.690 56.659 56.100 -0.218 0.000 1.004 265 R CB -0.527 29.346 30.300 -0.711 0.000 0.873 265 R HN 0.496 nan 8.270 nan 0.000 0.467 266 N N -0.315 118.395 118.700 0.016 0.000 2.171 266 N HA -0.005 4.735 4.740 0.000 0.000 0.212 266 N C -0.302 175.347 175.510 0.232 0.000 1.184 266 N CA 0.061 53.207 53.050 0.160 0.000 0.888 266 N CB 0.965 39.590 38.487 0.230 0.000 1.038 266 N HN -0.082 nan 8.380 nan 0.000 0.517 267 S N 0.361 116.169 115.700 0.181 0.000 2.499 267 S HA 0.250 4.721 4.470 0.000 0.000 0.279 267 S C 1.206 175.896 174.600 0.150 0.000 1.219 267 S CA -0.516 57.802 58.200 0.196 0.000 1.062 267 S CB 0.827 64.129 63.200 0.170 0.000 0.978 267 S HN 0.286 nan 8.310 nan 0.000 0.489 268 S N 3.111 118.873 115.700 0.104 0.000 2.535 268 S HA 0.181 4.651 4.470 0.000 0.000 0.214 268 S C 0.510 175.104 174.600 -0.009 0.000 0.980 268 S CA 0.049 58.244 58.200 -0.010 0.000 0.907 268 S CB -0.479 62.719 63.200 -0.003 0.000 0.790 268 S HN 0.780 nan 8.310 nan 0.000 0.510 269 V N -1.317 118.638 119.914 0.068 0.000 2.713 269 V HA 0.665 4.786 4.120 0.000 0.000 0.307 269 V C -3.158 173.020 176.094 0.140 0.000 1.052 269 V CA -3.150 59.193 62.300 0.070 0.000 0.967 269 V CB 0.693 32.553 31.823 0.063 0.000 1.019 269 V HN -0.108 nan 8.190 nan 0.000 0.459 270 P HA 0.224 nan 4.420 nan 0.000 0.265 270 P C -0.684 176.672 177.300 0.092 0.000 1.193 270 P CA 0.263 63.456 63.100 0.155 0.000 0.765 270 P CB 0.211 32.006 31.700 0.158 0.000 0.823 271 I N 2.401 122.938 120.570 -0.055 0.000 2.412 271 I HA 0.544 4.714 4.170 0.000 0.000 0.296 271 I C 1.008 176.874 176.117 -0.419 0.000 0.987 271 I CA -0.191 60.996 61.300 -0.188 0.000 1.180 271 I CB 1.174 39.016 38.000 -0.264 0.000 1.340 271 I HN 0.386 nan 8.210 nan 0.000 0.455 272 G N 3.312 111.774 108.800 -0.563 0.000 2.569 272 G HA2 0.820 4.780 3.960 0.000 0.000 0.300 272 G HA3 0.820 4.780 3.960 0.000 0.000 0.300 272 G C -0.776 173.864 174.900 -0.433 0.000 1.269 272 G CA -0.351 44.129 45.100 -1.034 0.000 0.959 272 G HN 0.697 nan 8.290 nan 0.000 0.478 273 T N -3.386 110.993 114.554 -0.292 0.000 2.754 273 T HA 0.614 4.965 4.350 0.000 0.000 0.296 273 T C -1.324 173.323 174.700 -0.088 0.000 1.205 273 T CA -0.658 61.376 62.100 -0.110 0.000 1.009 273 T CB 1.592 70.425 68.868 -0.058 0.000 1.368 273 T HN 0.791 nan 8.240 nan 0.000 0.509 274 V N 2.351 122.136 119.914 -0.214 0.000 2.284 274 V HA 0.353 4.473 4.120 0.000 0.000 0.274 274 V C -1.846 174.054 176.094 -0.323 0.000 1.023 274 V CA -1.836 60.250 62.300 -0.357 0.000 0.808 274 V CB 0.815 32.119 31.823 -0.866 0.000 1.035 274 V HN 0.735 nan 8.190 nan 0.000 0.445 275 P HA -0.148 nan 4.420 nan 0.000 0.217 275 P C 1.752 178.937 177.300 -0.191 0.000 1.148 275 P CA 0.872 63.732 63.100 -0.400 0.000 0.828 275 P CB 0.355 31.561 31.700 -0.825 0.000 0.783 276 I N -1.630 118.956 120.570 0.026 0.000 2.335 276 I HA -0.270 3.900 4.170 0.000 0.000 0.251 276 I C 1.878 178.149 176.117 0.256 0.000 1.129 276 I CA 1.550 62.987 61.300 0.228 0.000 1.402 276 I CB -0.806 37.360 38.000 0.277 0.000 1.069 276 I HN -0.088 nan 8.210 nan 0.000 0.424 277 Y N 0.076 120.421 120.300 0.075 0.000 2.181 277 Y HA -0.252 4.298 4.550 0.000 0.000 0.288 277 Y C 2.677 178.594 175.900 0.028 0.000 1.146 277 Y CA 1.580 59.715 58.100 0.058 0.000 1.164 277 Y CB -1.390 37.102 38.460 0.054 0.000 0.982 277 Y HN 0.382 nan 8.280 nan 0.000 0.515 278 Q N -0.094 119.795 119.800 0.148 0.000 2.123 278 Q HA -0.054 4.286 4.340 0.000 0.000 0.199 278 Q C 2.291 178.303 176.000 0.021 0.000 0.966 278 Q CA 1.285 57.123 55.803 0.057 0.000 0.845 278 Q CB -0.193 28.544 28.738 -0.001 0.000 0.907 278 Q HN 0.343 nan 8.270 nan 0.000 0.439 279 A N 0.528 123.352 122.820 0.006 0.000 2.015 279 A HA -0.123 4.197 4.320 0.000 0.000 0.219 279 A C 1.925 179.563 177.584 0.090 0.000 1.163 279 A CA 1.058 53.111 52.037 0.026 0.000 0.646 279 A CB -0.540 18.514 19.000 0.090 0.000 0.806 279 A HN 0.499 nan 8.150 nan 0.000 0.448 280 L N -0.840 120.458 121.223 0.125 0.000 2.217 280 L HA -0.016 4.324 4.340 0.000 0.000 0.211 280 L C 1.874 178.795 176.870 0.086 0.000 1.107 280 L CA 1.728 56.644 54.840 0.126 0.000 0.783 280 L CB -0.250 41.898 42.059 0.149 0.000 0.919 280 L HN 0.249 nan 8.230 nan 0.000 0.442 281 E N -0.134 120.106 120.200 0.067 0.000 2.299 281 E HA -0.088 4.263 4.350 0.000 0.000 0.193 281 E C 1.958 178.578 176.600 0.033 0.000 0.998 281 E CA 0.425 56.853 56.400 0.046 0.000 0.851 281 E CB 0.061 29.785 29.700 0.041 0.000 0.795 281 E HN 0.543 nan 8.360 nan 0.000 0.492 282 K N 0.630 121.045 120.400 0.025 0.000 2.280 282 K HA -0.061 4.259 4.320 0.000 0.000 0.202 282 K C 1.494 178.109 176.600 0.024 0.000 1.047 282 K CA 1.075 57.367 56.287 0.010 0.000 0.942 282 K CB 0.178 32.671 32.500 -0.012 0.000 0.739 282 K HN 0.035 nan 8.250 nan 0.000 0.457 283 V N -1.075 118.867 119.914 0.046 0.000 2.843 283 V HA 0.236 4.356 4.120 0.000 0.000 0.366 283 V C -0.708 175.420 176.094 0.057 0.000 1.283 283 V CA -0.793 61.540 62.300 0.055 0.000 1.303 283 V CB -0.532 31.337 31.823 0.077 0.000 1.418 283 V HN 0.216 nan 8.190 nan 0.000 0.598 284 N N 1.999 120.725 118.700 0.044 0.000 2.710 284 N HA -0.221 4.519 4.740 0.000 0.000 0.249 284 N C 1.305 176.842 175.510 0.045 0.000 1.059 284 N CA 1.711 54.784 53.050 0.039 0.000 0.720 284 N CB -1.498 37.009 38.487 0.033 0.000 0.983 284 N HN 1.693 nan 8.380 nan 0.000 0.544 285 G N -2.829 106.004 108.800 0.055 0.000 2.159 285 G HA2 -0.312 3.648 3.960 0.000 0.000 0.256 285 G HA3 -0.312 3.648 3.960 0.000 0.000 0.256 285 G C -0.040 174.903 174.900 0.071 0.000 0.977 285 G CA 0.285 45.418 45.100 0.056 0.000 0.652 285 G HN 0.505 nan 8.290 nan 0.000 0.531 286 V N 1.067 121.031 119.914 0.085 0.000 2.318 286 V HA 0.616 4.736 4.120 0.000 0.000 0.271 286 V C 1.513 177.695 176.094 0.145 0.000 1.030 286 V CA 0.337 62.697 62.300 0.100 0.000 0.844 286 V CB 0.797 32.673 31.823 0.088 0.000 1.015 286 V HN 0.730 nan 8.190 nan 0.000 0.460 287 A N 3.427 126.343 122.820 0.160 0.000 1.972 287 A HA -0.114 4.206 4.320 0.000 0.000 0.219 287 A C 1.950 179.735 177.584 0.335 0.000 1.169 287 A CA 1.388 53.565 52.037 0.233 0.000 0.635 287 A CB -0.226 18.901 19.000 0.211 0.000 0.810 287 A HN 0.794 nan 8.150 nan 0.000 0.446 288 E N 0.434 120.778 120.200 0.241 0.000 2.209 288 E HA -0.151 4.199 4.350 0.000 0.000 0.196 288 E C 0.787 177.585 176.600 0.330 0.000 0.993 288 E CA 1.363 57.907 56.400 0.240 0.000 0.819 288 E CB -0.146 29.655 29.700 0.167 0.000 0.745 288 E HN 0.554 nan 8.360 nan 0.000 0.477 289 D N -0.634 119.928 120.400 0.269 0.000 2.339 289 D HA 0.070 4.711 4.640 0.000 0.000 0.217 289 D C 0.175 176.612 176.300 0.228 0.000 1.050 289 D CA 0.036 54.172 54.000 0.228 0.000 0.856 289 D CB 0.106 40.994 40.800 0.148 0.000 0.922 289 D HN 0.148 nan 8.370 nan 0.000 0.518 290 L N 1.125 122.525 121.223 0.295 0.000 2.476 290 L HA 0.119 4.460 4.340 0.000 0.000 0.264 290 L C 0.552 177.450 176.870 0.046 0.000 1.224 290 L CA 0.080 55.035 54.840 0.192 0.000 0.821 290 L CB 0.279 42.463 42.059 0.208 0.000 1.101 290 L HN 0.120 nan 8.230 nan 0.000 0.488 291 N N -1.714 116.848 118.700 -0.230 0.000 3.355 291 N HA -0.009 4.731 4.740 0.000 0.000 0.238 291 N C -0.081 175.144 175.510 -0.475 0.000 1.466 291 N CA -0.926 51.794 53.050 -0.550 0.000 0.882 291 N CB -0.079 38.344 38.487 -0.106 0.000 1.406 291 N HN 0.707 nan 8.380 nan 0.000 0.500 292 W N 0.312 121.287 121.300 -0.541 0.000 2.374 292 W HA -0.081 4.579 4.660 0.000 0.000 0.288 292 W C 0.404 176.983 176.519 0.100 0.000 1.218 292 W CA 1.924 59.227 57.345 -0.071 0.000 1.245 292 W CB 0.161 29.615 29.460 -0.010 0.000 1.126 292 W HN 0.705 nan 8.180 nan 0.000 0.545 293 E N 0.685 120.813 120.200 -0.121 0.000 2.006 293 E HA -0.229 4.121 4.350 0.000 0.000 0.192 293 E C 2.337 178.813 176.600 -0.208 0.000 0.993 293 E CA 2.642 58.922 56.400 -0.200 0.000 0.808 293 E CB -1.178 28.492 29.700 -0.049 0.000 0.764 293 E HN 0.189 nan 8.360 nan 0.000 0.449 294 V N -0.468 119.390 119.914 -0.094 0.000 2.392 294 V HA -0.256 3.864 4.120 0.000 0.000 0.249 294 V C 2.105 178.131 176.094 -0.114 0.000 1.059 294 V CA 1.858 64.110 62.300 -0.080 0.000 1.051 294 V CB -0.771 31.046 31.823 -0.011 0.000 0.658 294 V HN 0.214 nan 8.190 nan 0.000 0.455 295 F N 1.700 121.530 119.950 -0.200 0.000 2.075 295 F HA -0.070 4.457 4.527 0.000 0.000 0.297 295 F C 2.782 178.313 175.800 -0.449 0.000 1.113 295 F CA 2.498 60.360 58.000 -0.230 0.000 1.218 295 F CB -0.379 38.604 39.000 -0.029 0.000 0.984 295 F HN 0.081 nan 8.300 nan 0.000 0.472 296 R N 0.398 120.532 120.500 -0.610 0.000 2.096 296 R HA -0.216 4.124 4.340 0.000 0.000 0.240 296 R C 1.890 177.928 176.300 -0.436 0.000 1.139 296 R CA 2.321 57.992 56.100 -0.715 0.000 0.952 296 R CB -0.634 29.127 30.300 -0.898 0.000 0.854 296 R HN 0.271 nan 8.270 nan 0.000 0.436 297 D N -0.616 119.573 120.400 -0.352 0.000 2.144 297 D HA -0.115 4.526 4.640 0.000 0.000 0.199 297 D C 1.773 177.897 176.300 -0.294 0.000 0.984 297 D CA 1.712 55.557 54.000 -0.259 0.000 0.834 297 D CB -0.400 40.282 40.800 -0.196 0.000 0.955 297 D HN 0.294 nan 8.370 nan 0.000 0.465 298 T N 1.227 115.555 114.554 -0.377 0.000 2.746 298 T HA -0.058 4.292 4.350 0.000 0.000 0.267 298 T C 2.228 176.644 174.700 -0.473 0.000 1.039 298 T CA 0.467 62.324 62.100 -0.406 0.000 1.142 298 T CB -0.240 68.343 68.868 -0.476 0.000 0.866 298 T HN 0.118 nan 8.240 nan 0.000 0.444 299 L N 0.384 121.228 121.223 -0.631 0.000 2.012 299 L HA -0.101 4.239 4.340 0.000 0.000 0.210 299 L C 2.486 179.189 176.870 -0.278 0.000 1.073 299 L CA 1.463 55.956 54.840 -0.579 0.000 0.748 299 L CB -0.599 41.168 42.059 -0.485 0.000 0.891 299 L HN 0.287 nan 8.230 nan 0.000 0.431 300 I N -0.515 119.920 120.570 -0.225 0.000 2.315 300 I HA -0.256 3.914 4.170 0.000 0.000 0.248 300 I C 2.409 178.420 176.117 -0.176 0.000 1.117 300 I CA 1.145 62.349 61.300 -0.160 0.000 1.404 300 I CB -0.316 37.633 38.000 -0.085 0.000 1.071 300 I HN 0.301 nan 8.210 nan 0.000 0.419 301 E N 0.803 120.911 120.200 -0.154 0.000 2.021 301 E HA -0.295 4.055 4.350 0.000 0.000 0.200 301 E C 2.238 178.856 176.600 0.029 0.000 1.015 301 E CA 1.557 57.915 56.400 -0.070 0.000 0.824 301 E CB -0.167 29.441 29.700 -0.154 0.000 0.762 301 E HN 0.515 nan 8.360 nan 0.000 0.454 302 Q N -0.125 119.685 119.800 0.016 0.000 2.135 302 Q HA -0.180 4.161 4.340 0.000 0.000 0.204 302 Q C 2.461 178.431 176.000 -0.050 0.000 0.981 302 Q CA 1.276 57.089 55.803 0.017 0.000 0.856 302 Q CB -0.279 28.494 28.738 0.058 0.000 0.902 302 Q HN 0.367 nan 8.270 nan 0.000 0.425 303 C N 0.959 120.188 119.300 -0.117 0.000 2.413 303 C HA -0.141 4.319 4.460 0.000 0.000 0.277 303 C C 2.311 176.950 174.990 -0.584 0.000 1.265 303 C CA 0.956 59.715 59.018 -0.431 0.000 1.752 303 C CB -0.673 26.587 27.740 -0.800 0.000 1.998 303 C HN 0.524 nan 8.230 nan 0.000 0.489 304 E N -0.473 119.465 120.200 -0.437 0.000 2.158 304 E HA -0.191 4.159 4.350 0.000 0.000 0.191 304 E C 2.209 178.744 176.600 -0.108 0.000 0.982 304 E CA 0.469 56.730 56.400 -0.232 0.000 0.823 304 E CB -0.218 29.407 29.700 -0.125 0.000 0.766 304 E HN 0.642 nan 8.360 nan 0.000 0.468 305 Q N -0.403 119.332 119.800 -0.108 0.000 2.167 305 Q HA -0.112 4.229 4.340 0.000 0.000 0.202 305 Q C 0.972 176.881 176.000 -0.151 0.000 0.970 305 Q CA 1.414 57.147 55.803 -0.117 0.000 0.855 305 Q CB 0.264 28.894 28.738 -0.179 0.000 0.911 305 Q HN 0.360 nan 8.270 nan 0.000 0.438 306 G N -0.754 107.943 108.800 -0.172 0.000 2.198 306 G HA2 -0.166 3.794 3.960 0.000 0.000 0.156 306 G HA3 -0.166 3.794 3.960 0.000 0.000 0.156 306 G C -0.173 174.548 174.900 -0.299 0.000 1.012 306 G CA -0.033 44.956 45.100 -0.185 0.000 0.692 306 G HN 0.193 nan 8.290 nan 0.000 0.492 307 V N 1.701 121.440 119.914 -0.293 0.000 2.644 307 V HA 0.074 4.194 4.120 0.000 0.000 0.305 307 V C 1.267 177.120 176.094 -0.402 0.000 1.053 307 V CA 1.279 63.370 62.300 -0.347 0.000 1.186 307 V CB 0.964 32.652 31.823 -0.224 0.000 0.895 307 V HN 0.370 nan 8.190 nan 0.000 0.490 308 D N 2.722 122.909 120.400 -0.354 0.000 2.346 308 D HA 0.110 4.750 4.640 0.000 0.000 0.206 308 D C -0.098 176.106 176.300 -0.161 0.000 1.001 308 D CA 1.004 54.894 54.000 -0.183 0.000 0.871 308 D CB 0.572 41.383 40.800 0.017 0.000 0.943 308 D HN 0.758 nan 8.370 nan 0.000 0.518 309 Y N -1.824 118.235 120.300 -0.402 0.000 2.604 309 Y HA 0.502 5.052 4.550 0.000 0.000 0.331 309 Y C -1.950 173.751 175.900 -0.331 0.000 1.158 309 Y CA -1.598 56.254 58.100 -0.412 0.000 1.056 309 Y CB 0.256 38.607 38.460 -0.182 0.000 1.330 309 Y HN -0.399 nan 8.280 nan 0.000 0.457 310 F N 0.920 120.874 119.950 0.006 0.000 2.469 310 F HA 0.630 5.157 4.527 0.000 0.000 0.332 310 F C 0.165 176.030 175.800 0.109 0.000 1.103 310 F CA -1.279 56.686 58.000 -0.058 0.000 0.979 310 F CB 2.381 41.304 39.000 -0.128 0.000 1.137 310 F HN 0.556 nan 8.300 nan 0.000 0.463 311 T N 5.094 119.797 114.554 0.249 0.000 2.728 311 T HA 0.541 4.891 4.350 0.000 0.000 0.296 311 T C -0.016 174.673 174.700 -0.019 0.000 0.940 311 T CA -0.179 61.999 62.100 0.129 0.000 1.013 311 T CB -0.146 68.748 68.868 0.042 0.000 0.912 311 T HN 0.258 nan 8.240 nan 0.000 0.484 312 I N 3.877 124.485 120.570 0.062 0.000 2.411 312 I HA 0.229 4.399 4.170 0.000 0.000 0.284 312 I C -0.111 175.978 176.117 -0.046 0.000 1.012 312 I CA -0.800 60.542 61.300 0.070 0.000 1.119 312 I CB 1.471 39.711 38.000 0.400 0.000 1.261 312 I HN 0.743 nan 8.210 nan 0.000 0.448 313 H N 5.111 124.249 119.070 0.114 0.000 3.332 313 H HA 0.198 4.754 4.556 0.000 0.000 0.235 313 H C 1.396 176.753 175.328 0.048 0.000 1.633 313 H CA -0.089 56.007 56.048 0.080 0.000 1.288 313 H CB 0.222 30.020 29.762 0.060 0.000 1.547 313 H HN 0.744 nan 8.280 nan 0.000 0.622 314 A N 0.694 123.593 122.820 0.132 0.000 2.209 314 A HA 0.003 4.323 4.320 0.000 0.000 0.212 314 A C 2.392 180.039 177.584 0.104 0.000 1.158 314 A CA 1.022 53.130 52.037 0.119 0.000 0.742 314 A CB -0.186 18.914 19.000 0.166 0.000 0.790 314 A HN 0.635 nan 8.150 nan 0.000 0.472 315 G N -1.152 107.709 108.800 0.102 0.000 3.088 315 G HA2 0.319 4.279 3.960 0.000 0.000 0.217 315 G HA3 0.319 4.279 3.960 0.000 0.000 0.217 315 G C 0.234 175.253 174.900 0.199 0.000 1.159 315 G CA 0.163 45.327 45.100 0.106 0.000 0.760 315 G HN 0.193 nan 8.290 nan 0.000 0.550 316 V N 2.545 122.559 119.914 0.166 0.000 2.287 316 V HA 0.242 4.362 4.120 0.000 0.000 0.246 316 V C 0.468 176.620 176.094 0.096 0.000 1.165 316 V CA -0.249 62.165 62.300 0.189 0.000 1.088 316 V CB -0.556 31.344 31.823 0.127 0.000 1.242 316 V HN 0.251 nan 8.190 nan 0.000 0.497 317 R N 2.335 122.861 120.500 0.045 0.000 2.457 317 R HA 0.304 4.644 4.340 0.000 0.000 0.284 317 R C 1.041 177.143 176.300 -0.331 0.000 1.024 317 R CA -0.946 54.937 56.100 -0.362 0.000 1.025 317 R CB 1.051 30.804 30.300 -0.912 0.000 1.063 317 R HN 0.370 nan 8.270 nan 0.000 0.493 318 L N 4.365 125.449 121.223 -0.231 0.000 2.030 318 L HA -0.195 4.145 4.340 0.000 0.000 0.222 318 L C -0.917 175.838 176.870 -0.192 0.000 1.082 318 L CA 2.247 56.995 54.840 -0.154 0.000 0.785 318 L CB -1.061 40.938 42.059 -0.100 0.000 0.895 318 L HN 0.595 nan 8.230 nan 0.000 0.439 319 P HA -0.138 nan 4.420 nan 0.000 0.220 319 P C 1.490 178.725 177.300 -0.109 0.000 1.148 319 P CA 1.356 64.303 63.100 -0.256 0.000 0.803 319 P CB -0.148 31.323 31.700 -0.381 0.000 0.782 320 F N -0.878 119.048 119.950 -0.040 0.000 2.234 320 F HA 0.005 4.532 4.527 0.000 0.000 0.296 320 F C 2.280 178.068 175.800 -0.020 0.000 1.089 320 F CA 0.030 58.011 58.000 -0.031 0.000 1.343 320 F CB -1.696 37.282 39.000 -0.037 0.000 1.040 320 F HN -0.166 nan 8.300 nan 0.000 0.498 321 I N -0.118 120.536 120.570 0.140 0.000 2.145 321 I HA -0.218 3.952 4.170 0.000 0.000 0.244 321 I C -1.109 175.042 176.117 0.057 0.000 1.075 321 I CA 0.724 62.072 61.300 0.080 0.000 1.332 321 I CB -2.122 35.898 38.000 0.033 0.000 1.033 321 I HN 0.039 nan 8.210 nan 0.000 0.410 325 A N 2.696 125.521 122.820 0.008 0.000 1.930 325 A HA 0.154 4.474 4.320 0.000 0.000 0.215 325 A C 2.098 179.681 177.584 -0.002 0.000 1.176 325 A CA 1.186 53.225 52.037 0.004 0.000 0.632 325 A CB -0.335 18.670 19.000 0.009 0.000 0.819 325 A HN 0.561 nan 8.150 nan 0.000 0.445 326 K N 0.331 120.729 120.400 -0.004 0.000 2.522 326 K HA 0.098 4.418 4.320 0.000 0.000 0.194 326 K C 0.250 176.840 176.600 -0.016 0.000 1.026 326 K CA -0.142 56.139 56.287 -0.009 0.000 1.119 326 K CB -0.043 32.453 32.500 -0.007 0.000 0.856 326 K HN 0.362 nan 8.250 nan 0.000 0.513 327 R N 0.325 120.814 120.500 -0.019 0.000 2.707 327 R HA 0.138 4.478 4.340 0.000 0.000 0.270 327 R C 1.323 177.605 176.300 -0.030 0.000 1.083 327 R CA -0.330 55.753 56.100 -0.029 0.000 1.182 327 R CB 0.924 31.204 30.300 -0.032 0.000 1.084 327 R HN -0.155 nan 8.270 nan 0.000 0.528 328 V N -0.066 119.824 119.914 -0.039 0.000 2.599 328 V HA -0.132 3.988 4.120 0.000 0.000 0.245 328 V C 1.795 177.858 176.094 -0.052 0.000 1.046 328 V CA 2.098 64.373 62.300 -0.042 0.000 1.065 328 V CB -0.032 31.764 31.823 -0.045 0.000 0.703 328 V HN 1.016 nan 8.190 nan 0.000 0.464 329 T N -3.741 110.774 114.554 -0.065 0.000 3.010 329 T HA 0.511 4.861 4.350 0.000 0.000 0.257 329 T C 1.195 175.864 174.700 -0.051 0.000 1.020 329 T CA 0.755 62.811 62.100 -0.073 0.000 0.938 329 T CB 0.919 69.714 68.868 -0.121 0.000 1.049 329 T HN 0.887 nan 8.240 nan 0.000 0.522 330 G N 2.252 111.028 108.800 -0.039 0.000 2.528 330 G HA2 -0.202 3.758 3.960 0.000 0.000 0.262 330 G HA3 -0.202 3.758 3.960 0.000 0.000 0.262 330 G C -0.434 174.456 174.900 -0.017 0.000 1.200 330 G CA -0.192 44.895 45.100 -0.023 0.000 0.951 330 G HN 0.656 nan 8.290 nan 0.000 0.566 331 I N 1.788 122.355 120.570 -0.006 0.000 2.315 331 I HA 0.389 4.559 4.170 0.000 0.000 0.291 331 I C 1.431 177.550 176.117 0.004 0.000 1.006 331 I CA 0.070 61.371 61.300 0.002 0.000 1.265 331 I CB 1.565 39.572 38.000 0.010 0.000 1.387 331 I HN 0.768 nan 8.210 nan 0.000 0.475 332 V N 1.657 121.577 119.914 0.011 0.000 3.477 332 V HA 0.197 4.317 4.120 0.000 0.000 0.297 332 V C 0.697 176.817 176.094 0.044 0.000 1.433 332 V CA -0.227 62.088 62.300 0.025 0.000 1.052 332 V CB 0.472 32.312 31.823 0.027 0.000 0.895 332 V HN 0.636 nan 8.190 nan 0.000 0.438 333 S N 0.870 116.587 115.700 0.030 0.000 2.545 333 S HA 0.362 4.832 4.470 0.000 0.000 0.275 333 S C 1.094 175.698 174.600 0.008 0.000 1.299 333 S CA -0.134 58.082 58.200 0.027 0.000 1.048 333 S CB 1.291 64.482 63.200 -0.015 0.000 0.938 333 S HN 0.567 nan 8.310 nan 0.000 0.496 334 R N 3.192 123.732 120.500 0.067 0.000 2.092 334 R HA -0.016 4.324 4.340 0.000 0.000 0.231 334 R C 2.163 178.517 176.300 0.091 0.000 1.119 334 R CA 1.679 57.829 56.100 0.083 0.000 0.970 334 R CB -0.916 29.444 30.300 0.101 0.000 0.864 334 R HN 0.829 nan 8.270 nan 0.000 0.440 335 G N -0.857 107.943 108.800 0.000 0.000 2.403 335 G HA2 -0.160 3.801 3.960 0.000 0.000 0.216 335 G HA3 -0.160 3.801 3.960 0.000 0.000 0.216 335 G C 1.400 175.991 174.900 -0.514 0.000 1.154 335 G CA 0.600 45.498 45.100 -0.338 0.000 0.784 335 G HN 0.489 nan 8.290 nan 0.000 0.538 336 G N 0.878 109.379 108.800 -0.497 0.000 2.421 336 G HA2 -0.166 3.795 3.960 0.000 0.000 0.216 336 G HA3 -0.166 3.795 3.960 0.000 0.000 0.216 336 G C 2.121 176.985 174.900 -0.059 0.000 1.171 336 G CA 1.448 46.426 45.100 -0.202 0.000 0.775 336 G HN 0.400 nan 8.290 nan 0.000 0.543 337 S N 0.516 116.197 115.700 -0.033 0.000 2.359 337 S HA -0.017 4.453 4.470 0.000 0.000 0.224 337 S C 1.472 176.101 174.600 0.048 0.000 1.035 337 S CA 0.342 58.552 58.200 0.016 0.000 1.018 337 S CB -0.213 62.999 63.200 0.020 0.000 0.876 337 S HN 0.348 nan 8.310 nan 0.000 0.448 341 K N -0.912 119.559 120.400 0.118 0.000 2.074 341 K HA -0.236 4.084 4.320 0.000 0.000 0.209 341 K C 1.675 178.368 176.600 0.156 0.000 1.048 341 K CA 2.204 58.561 56.287 0.116 0.000 0.926 341 K CB -0.233 32.340 32.500 0.121 0.000 0.713 341 K HN 0.644 nan 8.250 nan 0.000 0.444 342 W N 0.672 121.993 121.300 0.035 0.000 2.381 342 W HA -0.222 4.438 4.660 0.000 0.000 0.301 342 W C 2.137 178.660 176.519 0.007 0.000 1.205 342 W CA 1.015 58.370 57.345 0.017 0.000 1.285 342 W CB -0.337 29.145 29.460 0.036 0.000 1.133 342 W HN 0.051 nan 8.180 nan 0.000 0.521 343 C N 0.081 119.550 119.300 0.282 0.000 2.429 343 C HA -0.147 4.313 4.460 0.000 0.000 0.277 343 C C 2.640 177.538 174.990 -0.153 0.000 1.262 343 C CA 1.039 60.120 59.018 0.105 0.000 1.733 343 C CB -1.433 26.389 27.740 0.137 0.000 2.010 343 C HN 0.297 nan 8.230 nan 0.000 0.483 344 L N 0.435 121.577 121.223 -0.134 0.000 2.395 344 L HA 0.012 4.352 4.340 0.000 0.000 0.218 344 L C 2.575 179.352 176.870 -0.156 0.000 1.130 344 L CA 1.054 55.751 54.840 -0.239 0.000 0.826 344 L CB -0.523 41.467 42.059 -0.116 0.000 0.941 344 L HN 0.312 nan 8.230 nan 0.000 0.451 345 A N -1.680 121.085 122.820 -0.093 0.000 2.095 345 A HA -0.026 4.294 4.320 0.000 0.000 0.212 345 A C 1.863 179.413 177.584 -0.055 0.000 1.162 345 A CA 0.498 52.517 52.037 -0.029 0.000 0.753 345 A CB -0.275 18.734 19.000 0.016 0.000 0.840 345 A HN 0.403 nan 8.150 nan 0.000 0.468 346 H N -2.917 115.937 119.070 -0.358 0.000 2.740 346 H HA 0.096 4.652 4.556 0.000 0.000 0.265 346 H C -0.107 175.126 175.328 -0.158 0.000 0.978 346 H CA 0.139 55.960 56.048 -0.379 0.000 1.198 346 H CB 0.196 29.448 29.762 -0.851 0.000 1.467 346 H HN 0.580 nan 8.280 nan 0.000 0.511 347 H N 0.510 119.527 119.070 -0.088 0.000 2.845 347 H HA -0.139 4.418 4.556 0.000 0.000 0.296 347 H C 0.072 175.392 175.328 -0.013 0.000 1.116 347 H CA 0.770 56.791 56.048 -0.044 0.000 1.162 347 H CB -0.367 29.371 29.762 -0.041 0.000 1.338 347 H HN 0.320 nan 8.280 nan 0.000 0.370 348 K N 1.179 121.607 120.400 0.046 0.000 2.109 348 K HA 0.238 4.558 4.320 0.000 0.000 0.243 348 K C 0.718 177.444 176.600 0.210 0.000 1.006 348 K CA -0.577 55.789 56.287 0.133 0.000 0.917 348 K CB 1.246 33.860 32.500 0.190 0.000 1.081 348 K HN 0.137 nan 8.250 nan 0.000 0.468 349 E N 0.854 121.199 120.200 0.240 0.000 2.390 349 E HA -0.049 4.302 4.350 0.000 0.000 0.261 349 E C -0.360 176.465 176.600 0.375 0.000 1.076 349 E CA 0.008 56.542 56.400 0.223 0.000 0.905 349 E CB 0.348 30.145 29.700 0.161 0.000 0.984 349 E HN 0.439 nan 8.360 nan 0.000 0.427 350 N N 3.223 122.072 118.700 0.249 0.000 2.256 350 N HA -0.170 4.570 4.740 0.000 0.000 0.277 350 N C 0.490 176.033 175.510 0.056 0.000 1.362 350 N CA 0.376 53.512 53.050 0.142 0.000 0.861 350 N CB 0.024 38.531 38.487 0.033 0.000 1.136 350 N HN 0.575 nan 8.380 nan 0.000 0.492 351 F N 3.257 123.051 119.950 -0.261 0.000 2.546 351 F HA 0.036 4.563 4.527 0.000 0.000 0.298 351 F C 0.945 176.626 175.800 -0.197 0.000 1.120 351 F CA 0.311 58.164 58.000 -0.245 0.000 1.456 351 F CB -0.099 38.671 39.000 -0.384 0.000 1.088 351 F HN 0.416 nan 8.300 nan 0.000 0.572 352 L N -0.751 120.064 121.223 -0.680 0.000 2.156 352 L HA -0.150 4.191 4.340 0.000 0.000 0.208 352 L C 2.409 179.265 176.870 -0.023 0.000 1.095 352 L CA 1.229 55.808 54.840 -0.436 0.000 0.770 352 L CB -0.846 40.924 42.059 -0.482 0.000 0.914 352 L HN 0.279 nan 8.230 nan 0.000 0.439 353 Y N 0.834 121.072 120.300 -0.103 0.000 2.337 353 Y HA -0.117 4.434 4.550 0.000 0.000 0.293 353 Y C 2.576 178.473 175.900 -0.006 0.000 1.123 353 Y CA 1.146 59.222 58.100 -0.040 0.000 1.201 353 Y CB 0.154 38.571 38.460 -0.071 0.000 1.011 353 Y HN 0.078 nan 8.280 nan 0.000 0.545 354 E N 0.287 120.481 120.200 -0.009 0.000 2.047 354 E HA -0.110 4.240 4.350 0.000 0.000 0.191 354 E C 1.572 178.076 176.600 -0.161 0.000 0.987 354 E CA 0.893 57.245 56.400 -0.080 0.000 0.799 354 E CB -0.077 29.645 29.700 0.037 0.000 0.752 354 E HN 0.365 nan 8.360 nan 0.000 0.449 355 R N 0.169 120.553 120.500 -0.192 0.000 2.356 355 R HA 0.085 4.425 4.340 0.000 0.000 0.234 355 R C 1.634 177.807 176.300 -0.212 0.000 0.929 355 R CA -0.276 55.590 56.100 -0.389 0.000 1.084 355 R CB -0.966 28.797 30.300 -0.894 0.000 1.105 355 R HN 0.149 nan 8.270 nan 0.000 0.515 356 F N 2.357 122.172 119.950 -0.226 0.000 2.154 356 F HA -0.254 4.273 4.527 0.000 0.000 0.301 356 F C 1.491 177.229 175.800 -0.105 0.000 1.087 356 F CA 1.742 59.663 58.000 -0.132 0.000 1.274 356 F CB 0.215 39.091 39.000 -0.207 0.000 1.009 356 F HN 0.066 nan 8.300 nan 0.000 0.485 357 D N -0.088 120.261 120.400 -0.084 0.000 2.117 357 D HA -0.173 4.467 4.640 0.000 0.000 0.198 357 D C 1.883 178.022 176.300 -0.268 0.000 0.982 357 D CA 1.621 55.498 54.000 -0.205 0.000 0.828 357 D CB -0.320 40.479 40.800 -0.001 0.000 0.967 357 D HN 0.528 nan 8.370 nan 0.000 0.464 358 E N 0.353 120.457 120.200 -0.161 0.000 2.347 358 E HA -0.041 4.309 4.350 0.000 0.000 0.196 358 E C 2.165 178.832 176.600 0.111 0.000 1.008 358 E CA 0.193 56.571 56.400 -0.037 0.000 0.852 358 E CB 0.159 29.806 29.700 -0.088 0.000 0.783 358 E HN 0.367 nan 8.360 nan 0.000 0.505 359 I N 0.316 120.915 120.570 0.050 0.000 2.333 359 I HA -0.211 3.959 4.170 0.000 0.000 0.246 359 I C 2.159 178.258 176.117 -0.030 0.000 1.106 359 I CA 0.393 61.776 61.300 0.138 0.000 1.411 359 I CB -0.172 37.918 38.000 0.150 0.000 1.082 359 I HN 0.200 nan 8.210 nan 0.000 0.420 360 C N 0.827 119.989 119.300 -0.230 0.000 2.422 360 C HA -0.121 4.339 4.460 0.000 0.000 0.279 360 C C 2.632 177.555 174.990 -0.113 0.000 1.305 360 C CA 0.778 59.677 59.018 -0.198 0.000 1.757 360 C CB -1.046 26.429 27.740 -0.443 0.000 1.962 360 C HN 0.486 nan 8.230 nan 0.000 0.499 361 E N 0.399 120.525 120.200 -0.123 0.000 2.150 361 E HA -0.020 4.330 4.350 0.000 0.000 0.193 361 E C 0.777 177.406 176.600 0.048 0.000 0.985 361 E CA 0.458 56.856 56.400 -0.002 0.000 0.814 361 E CB 0.018 29.733 29.700 0.025 0.000 0.752 361 E HN 0.631 nan 8.360 nan 0.000 0.466 365 A N 0.443 123.203 122.820 -0.099 0.000 2.259 365 A HA 0.283 4.603 4.320 0.000 0.000 0.208 365 A C 0.224 177.428 177.584 -0.634 0.000 1.201 365 A CA 0.452 52.272 52.037 -0.363 0.000 0.824 365 A CB -0.352 18.354 19.000 -0.491 0.000 0.838 365 A HN 0.473 nan 8.150 nan 0.000 0.485 366 Y N -2.887 117.417 120.300 0.008 0.000 2.532 366 Y HA 0.191 4.741 4.550 0.000 0.000 0.282 366 Y C 0.367 176.257 175.900 -0.016 0.000 1.013 366 Y CA -0.382 57.720 58.100 0.003 0.000 1.159 366 Y CB 0.701 39.157 38.460 -0.007 0.000 1.393 366 Y HN 0.303 nan 8.280 nan 0.000 0.580 367 D N 0.925 121.384 120.400 0.099 0.000 2.809 367 D HA -0.129 4.511 4.640 0.000 0.000 0.234 367 D C -0.838 175.457 176.300 -0.009 0.000 1.111 367 D CA 0.290 54.318 54.000 0.048 0.000 0.726 367 D CB -1.071 39.765 40.800 0.061 0.000 1.089 367 D HN 0.017 nan 8.370 nan 0.000 0.436 368 V N 0.550 120.422 119.914 -0.070 0.000 2.811 368 V HA 0.409 4.529 4.120 0.000 0.000 0.302 368 V C 1.206 177.183 176.094 -0.194 0.000 1.063 368 V CA -0.062 62.082 62.300 -0.260 0.000 1.088 368 V CB 1.734 33.226 31.823 -0.552 0.000 0.982 368 V HN 0.279 nan 8.190 nan 0.000 0.485 369 S N 2.711 118.321 115.700 -0.151 0.000 2.593 369 S HA 0.644 5.114 4.470 0.000 0.000 0.297 369 S C -0.571 174.029 174.600 -0.001 0.000 1.112 369 S CA -0.366 57.824 58.200 -0.016 0.000 1.043 369 S CB 1.074 64.303 63.200 0.049 0.000 1.054 369 S HN 0.447 nan 8.310 nan 0.000 0.516 370 F N 1.612 121.645 119.950 0.138 0.000 2.399 370 F HA 0.302 4.829 4.527 0.000 0.000 0.342 370 F C 1.099 177.005 175.800 0.177 0.000 1.106 370 F CA 0.097 58.210 58.000 0.188 0.000 1.196 370 F CB 1.074 40.196 39.000 0.204 0.000 1.163 370 F HN 0.406 nan 8.300 nan 0.000 0.547 371 S N 5.531 121.521 115.700 0.484 0.000 2.406 371 S HA 0.408 4.878 4.470 0.000 0.000 0.224 371 S C -0.548 174.259 174.600 0.346 0.000 1.426 371 S CA -0.735 57.687 58.200 0.369 0.000 1.179 371 S CB -0.228 63.212 63.200 0.400 0.000 1.042 371 S HN 0.468 nan 8.310 nan 0.000 0.479 372 L N 4.172 125.569 121.223 0.290 0.000 2.638 372 L HA 0.241 4.581 4.340 0.000 0.000 0.273 372 L C 1.366 178.327 176.870 0.152 0.000 1.147 372 L CA -0.367 54.579 54.840 0.177 0.000 0.941 372 L CB -0.345 41.747 42.059 0.055 0.000 1.251 372 L HN 0.595 nan 8.230 nan 0.000 0.479 373 G N 2.262 111.115 108.800 0.089 0.000 2.503 373 G HA2 0.297 4.257 3.960 0.000 0.000 0.257 373 G HA3 0.297 4.257 3.960 0.000 0.000 0.257 373 G C -0.271 174.759 174.900 0.216 0.000 1.214 373 G CA -0.524 44.637 45.100 0.102 0.000 0.839 373 G HN 0.765 nan 8.290 nan 0.000 0.559 374 D N 0.859 121.402 120.400 0.239 0.000 2.514 374 D HA 0.191 4.831 4.640 0.000 0.000 0.267 374 D C 1.288 177.700 176.300 0.188 0.000 1.165 374 D CA -0.521 53.591 54.000 0.187 0.000 0.958 374 D CB 0.601 41.488 40.800 0.144 0.000 0.992 374 D HN 0.401 nan 8.370 nan 0.000 0.506 375 G N 0.805 109.730 108.800 0.209 0.000 2.501 375 G HA2 -0.178 3.782 3.960 0.000 0.000 0.220 375 G HA3 -0.178 3.782 3.960 0.000 0.000 0.220 375 G C 1.041 175.969 174.900 0.047 0.000 1.114 375 G CA 0.172 45.312 45.100 0.066 0.000 0.757 375 G HN 0.509 nan 8.290 nan 0.000 0.559 376 L N 1.050 122.306 121.223 0.055 0.000 2.783 376 L HA 0.239 4.579 4.340 0.000 0.000 0.236 376 L C 1.040 177.922 176.870 0.021 0.000 1.225 376 L CA -0.619 54.235 54.840 0.023 0.000 1.026 376 L CB -0.160 41.890 42.059 -0.015 0.000 1.314 376 L HN 0.280 nan 8.230 nan 0.000 0.489 377 R N -0.008 120.520 120.500 0.047 0.000 2.590 377 R HA 0.292 4.632 4.340 0.000 0.000 0.274 377 R C -2.570 173.753 176.300 0.038 0.000 1.061 377 R CA -1.553 54.580 56.100 0.055 0.000 1.081 377 R CB -0.690 29.656 30.300 0.078 0.000 0.984 377 R HN -0.141 nan 8.270 nan 0.000 0.448 378 P HA 0.086 nan 4.420 nan 0.000 0.271 378 P C 0.072 177.385 177.300 0.022 0.000 1.220 378 P CA -0.028 63.080 63.100 0.012 0.000 0.768 378 P CB 1.241 32.951 31.700 0.017 0.000 0.848 379 G N 1.068 109.802 108.800 -0.110 0.000 3.277 379 G HA2 0.282 4.242 3.960 0.000 0.000 0.243 379 G HA3 0.282 4.242 3.960 0.000 0.000 0.243 379 G C -0.144 174.344 174.900 -0.687 0.000 1.107 379 G CA 0.028 44.929 45.100 -0.332 0.000 0.771 379 G HN 0.603 nan 8.290 nan 0.000 0.544 380 S N -1.710 113.758 115.700 -0.385 0.000 2.537 380 S HA 0.384 4.854 4.470 0.000 0.000 0.270 380 S C 1.061 175.639 174.600 -0.037 0.000 1.142 380 S CA 0.463 58.509 58.200 -0.255 0.000 0.870 380 S CB 1.210 64.311 63.200 -0.165 0.000 1.112 380 S HN 0.210 nan 8.310 nan 0.000 0.466 381 T N 0.524 115.112 114.554 0.057 0.000 2.778 381 T HA -0.122 4.228 4.350 0.000 0.000 0.269 381 T C 2.077 176.791 174.700 0.023 0.000 1.050 381 T CA 1.541 63.685 62.100 0.073 0.000 1.137 381 T CB -1.016 67.905 68.868 0.088 0.000 0.860 381 T HN 1.172 nan 8.240 nan 0.000 0.468 382 A N 2.227 125.049 122.820 0.003 0.000 1.978 382 A HA -0.120 4.200 4.320 0.000 0.000 0.220 382 A C 1.987 179.554 177.584 -0.030 0.000 1.170 382 A CA 1.672 53.704 52.037 -0.008 0.000 0.636 382 A CB -0.515 18.476 19.000 -0.015 0.000 0.810 382 A HN 0.492 nan 8.150 nan 0.000 0.448 383 D N -0.268 120.106 120.400 -0.042 0.000 2.339 383 D HA 0.327 4.968 4.640 0.000 0.000 0.217 383 D C 0.834 177.082 176.300 -0.086 0.000 1.050 383 D CA 0.676 54.639 54.000 -0.062 0.000 0.856 383 D CB -0.220 40.542 40.800 -0.062 0.000 0.922 383 D HN 0.440 nan 8.370 nan 0.000 0.518 384 A N 0.818 123.594 122.820 -0.073 0.000 2.483 384 A HA 0.053 4.374 4.320 0.000 0.000 0.238 384 A C 0.873 178.328 177.584 -0.216 0.000 1.070 384 A CA 0.006 51.981 52.037 -0.104 0.000 0.770 384 A CB -0.303 18.660 19.000 -0.063 0.000 1.008 384 A HN 0.408 nan 8.150 nan 0.000 0.497 385 N N -0.530 117.962 118.700 -0.346 0.000 2.681 385 N HA -0.229 4.511 4.740 0.000 0.000 0.250 385 N C -0.298 174.691 175.510 -0.868 0.000 1.133 385 N CA 0.882 53.459 53.050 -0.788 0.000 0.732 385 N CB -0.950 37.280 38.487 -0.429 0.000 1.107 385 N HN 0.971 nan 8.380 nan 0.000 0.559 386 D N 0.535 120.619 120.400 -0.526 0.000 2.411 386 D HA 0.063 4.703 4.640 0.000 0.000 0.251 386 D C 1.009 177.113 176.300 -0.328 0.000 1.201 386 D CA -0.266 53.531 54.000 -0.338 0.000 0.996 386 D CB 0.534 41.225 40.800 -0.181 0.000 1.101 386 D HN 0.160 nan 8.370 nan 0.000 0.504 387 E N -0.143 119.966 120.200 -0.153 0.000 2.097 387 E HA -0.276 4.074 4.350 0.000 0.000 0.196 387 E C 1.893 178.446 176.600 -0.079 0.000 1.000 387 E CA 1.539 57.902 56.400 -0.061 0.000 0.804 387 E CB -0.252 29.438 29.700 -0.016 0.000 0.740 387 E HN 0.574 nan 8.360 nan 0.000 0.454 388 A N 0.858 123.616 122.820 -0.104 0.000 1.877 388 A HA -0.241 4.079 4.320 0.000 0.000 0.216 388 A C 2.126 179.591 177.584 -0.197 0.000 1.186 388 A CA 1.666 53.621 52.037 -0.135 0.000 0.620 388 A CB -0.594 18.366 19.000 -0.067 0.000 0.822 388 A HN 0.381 nan 8.150 nan 0.000 0.443 389 Q N -1.907 117.810 119.800 -0.139 0.000 2.167 389 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 389 Q C 1.469 177.523 176.000 0.091 0.000 0.970 389 Q CA 1.198 56.962 55.803 -0.065 0.000 0.855 389 Q CB -0.119 28.565 28.738 -0.090 0.000 0.911 389 Q HN 0.594 nan 8.270 nan 0.000 0.438 390 F N -0.115 119.754 119.950 -0.136 0.000 2.512 390 F HA 0.059 4.587 4.527 0.000 0.000 0.296 390 F C 2.410 178.091 175.800 -0.198 0.000 1.110 390 F CA 0.428 58.358 58.000 -0.116 0.000 1.446 390 F CB -0.298 38.665 39.000 -0.063 0.000 1.092 390 F HN 0.016 nan 8.300 nan 0.000 0.554 391 S N -0.556 115.055 115.700 -0.150 0.000 2.395 391 S HA -0.153 4.317 4.470 0.000 0.000 0.225 391 S C 1.972 176.155 174.600 -0.694 0.000 1.027 391 S CA 0.883 58.838 58.200 -0.409 0.000 0.965 391 S CB -0.159 62.719 63.200 -0.537 0.000 0.812 391 S HN 0.454 nan 8.310 nan 0.000 0.482 392 E N 0.867 120.615 120.200 -0.754 0.000 2.106 392 E HA -0.125 4.226 4.350 0.000 0.000 0.192 392 E C 2.039 178.536 176.600 -0.173 0.000 0.984 392 E CA 0.683 56.795 56.400 -0.479 0.000 0.806 392 E CB -0.119 29.400 29.700 -0.301 0.000 0.750 392 E HN 0.297 nan 8.360 nan 0.000 0.458 393 L N 1.360 122.523 121.223 -0.100 0.000 2.046 393 L HA -0.127 4.213 4.340 0.000 0.000 0.208 393 L C 2.294 179.109 176.870 -0.092 0.000 1.077 393 L CA 1.688 56.499 54.840 -0.048 0.000 0.747 393 L CB -0.259 41.798 42.059 -0.003 0.000 0.896 393 L HN 0.011 nan 8.230 nan 0.000 0.432 394 R N -1.507 118.919 120.500 -0.124 0.000 2.115 394 R HA -0.097 4.243 4.340 0.000 0.000 0.230 394 R C 2.003 178.240 176.300 -0.105 0.000 1.111 394 R CA 1.683 57.685 56.100 -0.163 0.000 0.976 394 R CB -0.561 29.588 30.300 -0.251 0.000 0.870 394 R HN 0.412 nan 8.270 nan 0.000 0.445 395 T N 1.536 116.048 114.554 -0.069 0.000 2.777 395 T HA -0.050 4.300 4.350 0.000 0.000 0.266 395 T C 1.836 176.499 174.700 -0.063 0.000 1.040 395 T CA 0.938 63.029 62.100 -0.016 0.000 1.141 395 T CB -0.101 68.814 68.868 0.078 0.000 0.868 395 T HN 0.134 nan 8.240 nan 0.000 0.444 396 L N 0.848 122.025 121.223 -0.078 0.000 2.131 396 L HA 0.020 4.360 4.340 0.000 0.000 0.210 396 L C 2.964 179.747 176.870 -0.145 0.000 1.092 396 L CA 1.157 55.931 54.840 -0.110 0.000 0.759 396 L CB -1.001 41.026 42.059 -0.054 0.000 0.903 396 L HN 0.336 nan 8.230 nan 0.000 0.435 397 G N -0.025 108.699 108.800 -0.126 0.000 2.421 397 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 397 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 397 G C 1.406 176.281 174.900 -0.041 0.000 1.171 397 G CA 0.585 45.605 45.100 -0.132 0.000 0.775 397 G HN 0.412 nan 8.290 nan 0.000 0.543 398 E N 0.267 120.436 120.200 -0.051 0.000 2.038 398 E HA -0.092 4.258 4.350 0.000 0.000 0.195 398 E C 2.574 179.077 176.600 -0.163 0.000 1.000 398 E CA 0.881 57.250 56.400 -0.051 0.000 0.803 398 E CB -0.298 29.386 29.700 -0.028 0.000 0.750 398 E HN 0.369 nan 8.360 nan 0.000 0.448 399 L N 0.875 121.939 121.223 -0.264 0.000 2.079 399 L HA -0.202 4.138 4.340 0.000 0.000 0.210 399 L C 2.580 179.194 176.870 -0.427 0.000 1.081 399 L CA 1.198 55.724 54.840 -0.524 0.000 0.752 399 L CB -0.877 40.715 42.059 -0.779 0.000 0.896 399 L HN 0.215 nan 8.230 nan 0.000 0.433 400 T N -0.275 114.046 114.554 -0.389 0.000 2.607 400 T HA -0.219 4.132 4.350 0.000 0.000 0.267 400 T C 1.963 176.177 174.700 -0.811 0.000 1.049 400 T CA 1.330 63.081 62.100 -0.581 0.000 1.162 400 T CB -0.128 68.403 68.868 -0.562 0.000 0.863 400 T HN 0.241 nan 8.240 nan 0.000 0.424 401 K N 0.502 120.564 120.400 -0.565 0.000 2.034 401 K HA -0.110 4.211 4.320 0.000 0.000 0.214 401 K C 2.357 178.898 176.600 -0.099 0.000 1.051 401 K CA 1.212 57.299 56.287 -0.334 0.000 0.931 401 K CB -0.890 31.493 32.500 -0.196 0.000 0.715 401 K HN 0.226 nan 8.250 nan 0.000 0.446 402 V N 1.409 121.286 119.914 -0.063 0.000 2.287 402 V HA -0.276 3.844 4.120 0.000 0.000 0.248 402 V C 2.501 178.763 176.094 0.281 0.000 1.053 402 V CA 2.006 64.375 62.300 0.114 0.000 1.027 402 V CB -0.799 31.102 31.823 0.129 0.000 0.646 402 V HN 0.368 nan 8.190 nan 0.000 0.447 403 A N -0.617 122.345 122.820 0.237 0.000 1.908 403 A HA -0.250 4.070 4.320 0.000 0.000 0.218 403 A C 1.968 179.770 177.584 0.364 0.000 1.181 403 A CA 2.098 54.325 52.037 0.316 0.000 0.627 403 A CB -0.752 18.364 19.000 0.192 0.000 0.818 403 A HN 0.656 nan 8.150 nan 0.000 0.445 404 W N 0.391 121.801 121.300 0.184 0.000 2.358 404 W HA -0.089 4.571 4.660 0.000 0.000 0.303 404 W C 2.096 178.665 176.519 0.083 0.000 1.208 404 W CA 1.324 58.741 57.345 0.119 0.000 1.274 404 W CB -0.789 28.711 29.460 0.067 0.000 1.138 404 W HN 0.267 nan 8.180 nan 0.000 0.515 405 K N -0.498 120.070 120.400 0.281 0.000 2.103 405 K HA -0.160 4.160 4.320 0.000 0.000 0.207 405 K C 1.431 178.036 176.600 0.008 0.000 1.048 405 K CA 1.183 57.525 56.287 0.090 0.000 0.930 405 K CB -0.893 31.602 32.500 -0.008 0.000 0.716 405 K HN 0.363 nan 8.250 nan 0.000 0.444 406 H N -0.226 118.932 119.070 0.147 0.000 2.556 406 H HA 0.039 4.595 4.556 0.000 0.000 0.268 406 H C 0.702 176.097 175.328 0.112 0.000 0.996 406 H CA 0.838 56.954 56.048 0.114 0.000 1.157 406 H CB 0.146 29.977 29.762 0.116 0.000 1.355 406 H HN 0.390 nan 8.280 nan 0.000 0.597 407 G N 1.224 110.161 108.800 0.229 0.000 2.272 407 G HA2 -0.244 3.716 3.960 0.000 0.000 0.280 407 G HA3 -0.244 3.716 3.960 0.000 0.000 0.280 407 G C -0.183 174.836 174.900 0.198 0.000 1.067 407 G CA 0.406 45.607 45.100 0.169 0.000 0.902 407 G HN 0.229 nan 8.290 nan 0.000 0.500 408 V N -0.054 120.045 119.914 0.308 0.000 2.604 408 V HA 0.443 4.563 4.120 0.000 0.000 0.305 408 V C 0.576 176.909 176.094 0.399 0.000 1.043 408 V CA -0.883 61.599 62.300 0.303 0.000 0.888 408 V CB 1.928 33.947 31.823 0.327 0.000 0.995 408 V HN 0.476 nan 8.190 nan 0.000 0.429 409 Q N 1.854 121.835 119.800 0.302 0.000 2.332 409 Q HA 0.550 4.891 4.340 0.000 0.000 0.263 409 Q C -0.694 175.536 176.000 0.384 0.000 0.979 409 Q CA -0.003 55.990 55.803 0.318 0.000 0.885 409 Q CB 1.649 30.499 28.738 0.186 0.000 1.218 409 Q HN 0.604 nan 8.270 nan 0.000 0.405 413 E N 2.772 123.163 120.200 0.319 0.000 2.277 413 E HA 0.682 5.033 4.350 0.000 0.000 0.274 413 E C 0.159 176.886 176.600 0.211 0.000 1.022 413 E CA -0.465 56.051 56.400 0.193 0.000 0.853 413 E CB 2.514 32.288 29.700 0.123 0.000 1.086 413 E HN 0.806 nan 8.360 nan 0.000 0.397 414 G N 1.843 110.612 108.800 -0.051 0.000 3.176 414 G HA2 0.491 4.451 3.960 0.000 0.000 0.272 414 G HA3 0.491 4.451 3.960 0.000 0.000 0.272 414 G C -2.762 172.109 174.900 -0.049 0.000 1.349 414 G CA -1.286 43.819 45.100 0.008 0.000 0.953 414 G HN 0.252 nan 8.290 nan 0.000 0.559 415 P HA 0.436 nan 4.420 nan 0.000 0.270 415 P C 0.596 177.881 177.300 -0.024 0.000 1.227 415 P CA 1.301 64.421 63.100 0.033 0.000 0.788 415 P CB 0.782 32.522 31.700 0.067 0.000 0.926 416 G N -0.388 108.420 108.800 0.013 0.000 2.422 416 G HA2 -0.077 3.884 3.960 0.000 0.000 0.607 416 G HA3 -0.077 3.884 3.960 0.000 0.000 0.607 416 G C -1.467 173.493 174.900 0.100 0.000 1.270 416 G CA -0.830 44.337 45.100 0.112 0.000 0.992 416 G HN 0.658 nan 8.290 nan 0.000 0.499 417 H N -0.487 118.603 119.070 0.032 0.000 2.552 417 H HA 0.546 5.102 4.556 0.000 0.000 0.311 417 H C -0.593 174.740 175.328 0.009 0.000 1.071 417 H CA -0.184 55.884 56.048 0.033 0.000 1.307 417 H CB 1.579 31.365 29.762 0.040 0.000 1.416 417 H HN 0.440 nan 8.280 nan 0.000 0.464 418 V N 2.403 122.363 119.914 0.076 0.000 2.655 418 V HA 0.291 4.411 4.120 0.000 0.000 0.301 418 V C 0.312 176.411 176.094 0.008 0.000 1.082 418 V CA -0.983 61.333 62.300 0.026 0.000 0.899 418 V CB 1.451 33.283 31.823 0.016 0.000 1.014 418 V HN 0.948 nan 8.190 nan 0.000 0.429 422 K N 0.965 121.143 120.400 -0.371 0.000 2.358 422 K HA 0.323 4.644 4.320 0.000 0.000 0.197 422 K C 1.007 177.583 176.600 -0.040 0.000 1.025 422 K CA 0.435 56.579 56.287 -0.238 0.000 1.104 422 K CB 0.763 33.062 32.500 -0.335 0.000 0.855 422 K HN 0.311 nan 8.250 nan 0.000 0.531 423 I N 1.100 121.690 120.570 0.033 0.000 2.233 423 I HA -0.251 3.919 4.170 0.000 0.000 0.243 423 I C 2.355 178.576 176.117 0.174 0.000 1.093 423 I CA 1.141 62.526 61.300 0.142 0.000 1.380 423 I CB 0.002 38.121 38.000 0.198 0.000 1.067 423 I HN -0.000 nan 8.210 nan 0.000 0.413 424 K N 1.472 121.910 120.400 0.063 0.000 2.057 424 K HA -0.139 4.181 4.320 0.000 0.000 0.207 424 K C 2.089 178.575 176.600 -0.190 0.000 1.049 424 K CA 1.615 57.714 56.287 -0.313 0.000 0.931 424 K CB -0.388 31.703 32.500 -0.681 0.000 0.714 424 K HN 0.273 nan 8.250 nan 0.000 0.440 425 A N 0.709 123.476 122.820 -0.090 0.000 1.903 425 A HA -0.239 4.081 4.320 0.000 0.000 0.219 425 A C 1.329 178.918 177.584 0.007 0.000 1.191 425 A CA 1.729 53.746 52.037 -0.034 0.000 0.638 425 A CB -1.047 17.982 19.000 0.049 0.000 0.823 425 A HN 0.583 nan 8.150 nan 0.000 0.451 429 E N 1.189 121.151 120.200 -0.396 0.000 2.051 429 E HA -0.166 4.184 4.350 0.000 0.000 0.192 429 E C 1.805 178.055 176.600 -0.583 0.000 0.991 429 E CA 0.994 57.037 56.400 -0.594 0.000 0.799 429 E CB 0.080 29.332 29.700 -0.747 0.000 0.748 429 E HN 0.306 nan 8.360 nan 0.000 0.449 430 Q N 0.646 120.149 119.800 -0.494 0.000 2.079 430 Q HA -0.090 4.250 4.340 0.000 0.000 0.200 430 Q C 2.439 178.180 176.000 -0.430 0.000 0.974 430 Q CA 0.718 56.196 55.803 -0.542 0.000 0.840 430 Q CB -0.111 28.044 28.738 -0.972 0.000 0.898 430 Q HN 0.301 nan 8.270 nan 0.000 0.430 431 L N 0.525 121.534 121.223 -0.357 0.000 2.083 431 L HA -0.182 4.158 4.340 0.000 0.000 0.209 431 L C 2.740 179.466 176.870 -0.240 0.000 1.083 431 L CA 1.252 55.951 54.840 -0.234 0.000 0.752 431 L CB -0.424 41.531 42.059 -0.173 0.000 0.899 431 L HN 0.167 nan 8.230 nan 0.000 0.433 432 K N -0.519 119.672 120.400 -0.349 0.000 1.967 432 K HA -0.151 4.169 4.320 0.000 0.000 0.212 432 K C 2.103 178.498 176.600 -0.340 0.000 1.044 432 K CA 1.273 57.341 56.287 -0.366 0.000 0.942 432 K CB -0.010 32.138 32.500 -0.586 0.000 0.726 432 K HN 0.308 nan 8.250 nan 0.000 0.440 433 H N -1.209 117.657 119.070 -0.340 0.000 2.551 433 H HA 0.067 4.623 4.556 0.000 0.000 0.266 433 H C 1.238 176.189 175.328 -0.629 0.000 0.977 433 H CA 0.333 56.133 56.048 -0.414 0.000 1.163 433 H CB -0.077 29.496 29.762 -0.316 0.000 1.381 433 H HN 0.212 nan 8.280 nan 0.000 0.581 434 C N 0.611 119.627 119.300 -0.474 0.000 3.104 434 C HA 0.103 4.563 4.460 0.000 0.000 0.284 434 C C 0.374 175.213 174.990 -0.250 0.000 1.326 434 C CA -0.255 58.517 59.018 -0.409 0.000 1.725 434 C CB -0.818 26.781 27.740 -0.234 0.000 2.156 434 C HN 0.676 nan 8.230 nan 0.000 0.638 435 H N 0.686 119.782 119.070 0.043 0.000 2.862 435 H HA -0.165 4.391 4.556 0.000 0.000 0.290 435 H C 0.707 176.161 175.328 0.210 0.000 1.211 435 H CA 1.312 57.456 56.048 0.160 0.000 1.140 435 H CB -2.108 27.831 29.762 0.296 0.000 1.341 435 H HN 0.731 nan 8.280 nan 0.000 0.392 436 E N -3.076 117.204 120.200 0.133 0.000 3.413 436 E HA -0.160 4.190 4.350 0.000 0.000 0.300 436 E C 0.507 177.215 176.600 0.179 0.000 0.891 436 E CA 0.561 57.028 56.400 0.113 0.000 1.050 436 E CB -1.062 28.702 29.700 0.106 0.000 1.534 436 E HN 0.700 nan 8.360 nan 0.000 0.436 437 A N 1.080 124.041 122.820 0.236 0.000 2.425 437 A HA 0.392 4.712 4.320 0.000 0.000 0.242 437 A C -2.148 175.564 177.584 0.214 0.000 1.077 437 A CA -0.778 51.433 52.037 0.289 0.000 0.781 437 A CB 0.080 19.263 19.000 0.304 0.000 1.020 437 A HN -0.118 nan 8.150 nan 0.000 0.494 438 P HA 0.023 nan 4.420 nan 0.000 0.261 438 P C -0.783 176.714 177.300 0.329 0.000 1.173 438 P CA 0.565 63.810 63.100 0.242 0.000 0.760 438 P CB 0.049 31.867 31.700 0.196 0.000 0.783 439 F N 4.908 124.943 119.950 0.143 0.000 2.404 439 F HA 0.399 4.926 4.527 0.000 0.000 0.339 439 F C -0.583 175.356 175.800 0.232 0.000 1.105 439 F CA -1.228 56.866 58.000 0.157 0.000 1.087 439 F CB 0.572 39.643 39.000 0.119 0.000 1.143 439 F HN 0.230 nan 8.300 nan 0.000 0.491 440 Y N 5.389 125.664 120.300 -0.041 0.000 2.594 440 Y HA 0.339 4.889 4.550 0.000 0.000 0.338 440 Y C -0.542 175.207 175.900 -0.252 0.000 1.019 440 Y CA -1.332 56.704 58.100 -0.107 0.000 1.306 440 Y CB 0.321 38.786 38.460 0.008 0.000 1.094 440 Y HN 0.625 nan 8.280 nan 0.000 0.534 441 T N 2.295 116.621 114.554 -0.380 0.000 2.934 441 T HA 0.543 4.893 4.350 0.000 0.000 0.283 441 T C -0.728 173.796 174.700 -0.294 0.000 1.005 441 T CA -0.890 60.949 62.100 -0.436 0.000 1.041 441 T CB 1.963 70.588 68.868 -0.406 0.000 1.042 441 T HN 0.561 nan 8.240 nan 0.000 0.505 442 L N 2.123 123.211 121.223 -0.225 0.000 2.313 442 L HA 0.658 4.998 4.340 0.000 0.000 0.273 442 L C 0.566 177.418 176.870 -0.030 0.000 1.028 442 L CA 1.185 55.954 54.840 -0.118 0.000 0.871 442 L CB -0.170 41.813 42.059 -0.127 0.000 1.242 442 L HN 1.336 nan 8.230 nan 0.000 0.434 443 G N 4.772 113.622 108.800 0.084 0.000 2.578 443 G HA2 -0.186 3.774 3.960 0.000 0.000 0.232 443 G HA3 -0.186 3.774 3.960 0.000 0.000 0.232 443 G C -2.917 171.992 174.900 0.014 0.000 1.176 443 G CA -0.340 44.807 45.100 0.078 0.000 0.968 443 G HN 0.549 nan 8.290 nan 0.000 0.583 444 P HA 0.510 nan 4.420 nan 0.000 0.284 444 P C 0.271 177.527 177.300 -0.073 0.000 1.253 444 P CA -0.663 62.410 63.100 -0.044 0.000 0.800 444 P CB 0.728 32.418 31.700 -0.016 0.000 0.961 445 L N 2.935 124.057 121.223 -0.168 0.000 2.559 445 L HA 0.014 4.354 4.340 0.000 0.000 0.274 445 L C 1.527 178.342 176.870 -0.092 0.000 1.205 445 L CA 1.094 55.811 54.840 -0.204 0.000 0.907 445 L CB -0.140 41.583 42.059 -0.561 0.000 1.153 445 L HN 0.558 nan 8.230 nan 0.000 0.490 446 T N -1.834 112.700 114.554 -0.034 0.000 3.060 446 T HA 0.066 4.416 4.350 0.000 0.000 0.249 446 T C 0.716 175.441 174.700 0.042 0.000 1.079 446 T CA 0.093 62.199 62.100 0.010 0.000 1.013 446 T CB 0.296 69.170 68.868 0.010 0.000 0.975 446 T HN 0.638 nan 8.240 nan 0.000 0.518 447 T N -0.100 114.483 114.554 0.048 0.000 2.886 447 T HA 0.315 4.665 4.350 0.000 0.000 0.330 447 T C -1.253 173.518 174.700 0.118 0.000 1.488 447 T CA -0.619 61.528 62.100 0.079 0.000 1.054 447 T CB 1.614 70.513 68.868 0.051 0.000 1.348 447 T HN -0.111 nan 8.240 nan 0.000 0.489 448 D N 2.121 122.601 120.400 0.134 0.000 2.349 448 D HA 0.145 4.785 4.640 0.000 0.000 0.214 448 D C 1.666 178.028 176.300 0.104 0.000 1.063 448 D CA 0.315 54.411 54.000 0.161 0.000 0.847 448 D CB 0.286 41.159 40.800 0.121 0.000 0.933 448 D HN 0.737 nan 8.370 nan 0.000 0.513 449 I N -2.242 118.373 120.570 0.075 0.000 3.749 449 I HA 0.349 4.520 4.170 0.000 0.000 0.314 449 I C 0.570 176.723 176.117 0.060 0.000 1.278 449 I CA -0.120 61.211 61.300 0.052 0.000 1.158 449 I CB 0.170 38.188 38.000 0.029 0.000 1.018 449 I HN -0.223 nan 8.210 nan 0.000 0.435 450 A N 1.791 124.670 122.820 0.098 0.000 3.253 450 A HA 0.594 4.914 4.320 0.000 0.000 0.290 450 A C -2.715 175.012 177.584 0.239 0.000 0.950 450 A CA -1.145 50.968 52.037 0.127 0.000 0.986 450 A CB -0.384 18.657 19.000 0.068 0.000 1.104 450 A HN 0.137 nan 8.150 nan 0.000 0.481 451 P HA 0.339 nan 4.420 nan 0.000 0.264 451 P C 1.107 178.549 177.300 0.236 0.000 1.193 451 P CA 1.936 65.166 63.100 0.215 0.000 0.763 451 P CB 0.862 32.655 31.700 0.154 0.000 0.810 452 G N 1.690 110.575 108.800 0.140 0.000 2.179 452 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 452 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 452 G C 0.099 174.811 174.900 -0.315 0.000 0.990 452 G CA -0.276 44.778 45.100 -0.078 0.000 0.646 452 G HN 0.523 nan 8.290 nan 0.000 0.517 453 Y N -0.102 120.291 120.300 0.155 0.000 2.863 453 Y HA 0.268 4.818 4.550 0.000 0.000 0.254 453 Y C 1.235 177.176 175.900 0.069 0.000 1.124 453 Y CA -0.290 57.902 58.100 0.154 0.000 1.203 453 Y CB 0.632 39.114 38.460 0.038 0.000 1.269 453 Y HN 0.115 nan 8.280 nan 0.000 0.586 454 D N 0.292 120.838 120.400 0.244 0.000 2.310 454 D HA -0.150 4.491 4.640 0.000 0.000 0.212 454 D C 2.046 178.413 176.300 0.112 0.000 0.965 454 D CA 1.291 55.368 54.000 0.130 0.000 0.879 454 D CB -0.024 40.815 40.800 0.066 0.000 0.921 454 D HN 0.608 nan 8.370 nan 0.000 0.510 455 H N 0.495 119.581 119.070 0.027 0.000 2.421 455 H HA -0.053 4.503 4.556 0.000 0.000 0.298 455 H C 2.159 177.539 175.328 0.087 0.000 1.087 455 H CA 0.667 56.759 56.048 0.073 0.000 1.330 455 H CB -0.709 29.076 29.762 0.039 0.000 1.388 455 H HN 0.200 nan 8.280 nan 0.000 0.526 456 I N 1.855 122.134 120.570 -0.484 0.000 2.233 456 I HA -0.179 3.991 4.170 0.000 0.000 0.243 456 I C 2.666 178.706 176.117 -0.128 0.000 1.093 456 I CA 1.702 62.815 61.300 -0.311 0.000 1.380 456 I CB -0.697 37.122 38.000 -0.303 0.000 1.067 456 I HN 0.346 nan 8.210 nan 0.000 0.413 457 T N -1.014 113.498 114.554 -0.069 0.000 2.867 457 T HA -0.124 4.226 4.350 0.000 0.000 0.268 457 T C 1.916 176.590 174.700 -0.044 0.000 1.057 457 T CA 1.450 63.528 62.100 -0.037 0.000 1.136 457 T CB -0.582 68.286 68.868 -0.000 0.000 0.874 457 T HN 0.461 nan 8.240 nan 0.000 0.466 458 S N 1.450 117.134 115.700 -0.026 0.000 2.478 458 S HA 0.422 4.893 4.470 0.000 0.000 0.222 458 S C 2.359 176.914 174.600 -0.075 0.000 1.008 458 S CA 0.300 58.497 58.200 -0.004 0.000 0.928 458 S CB -0.492 62.767 63.200 0.098 0.000 0.781 458 S HN 0.658 nan 8.310 nan 0.000 0.518 459 A N 1.996 124.731 122.820 -0.142 0.000 1.968 459 A HA 0.200 4.520 4.320 0.000 0.000 0.217 459 A C 2.064 179.524 177.584 -0.207 0.000 1.169 459 A CA 1.016 52.875 52.037 -0.296 0.000 0.638 459 A CB -0.717 18.143 19.000 -0.234 0.000 0.812 459 A HN 0.552 nan 8.150 nan 0.000 0.446 460 I N -0.254 120.238 120.570 -0.130 0.000 2.142 460 I HA -0.190 3.980 4.170 0.000 0.000 0.240 460 I C 2.712 178.776 176.117 -0.090 0.000 1.078 460 I CA 1.320 62.564 61.300 -0.094 0.000 1.343 460 I CB -0.599 37.366 38.000 -0.057 0.000 1.046 460 I HN 0.364 nan 8.210 nan 0.000 0.405 461 G N 0.191 108.945 108.800 -0.077 0.000 2.408 461 G HA2 -0.178 3.783 3.960 0.000 0.000 0.217 461 G HA3 -0.178 3.783 3.960 0.000 0.000 0.217 461 G C 1.844 176.688 174.900 -0.093 0.000 1.150 461 G CA 0.778 45.839 45.100 -0.065 0.000 0.776 461 G HN 0.486 nan 8.290 nan 0.000 0.542 462 A N 1.093 123.838 122.820 -0.124 0.000 1.873 462 A HA 0.497 4.817 4.320 0.000 0.000 0.215 462 A C 2.058 179.557 177.584 -0.142 0.000 1.186 462 A CA 1.469 53.425 52.037 -0.136 0.000 0.616 462 A CB -0.854 17.978 19.000 -0.280 0.000 0.823 462 A HN 0.905 nan 8.150 nan 0.000 0.442 466 G N 0.889 109.688 108.800 -0.001 0.000 2.408 466 G HA2 -0.292 3.668 3.960 0.000 0.000 0.217 466 G HA3 -0.292 3.668 3.960 0.000 0.000 0.217 466 G C 1.137 176.148 174.900 0.185 0.000 1.150 466 G CA 1.023 46.178 45.100 0.091 0.000 0.776 466 G HN 0.525 nan 8.290 nan 0.000 0.542 467 W N 1.491 122.734 121.300 -0.094 0.000 2.335 467 W HA 0.031 4.691 4.660 0.000 0.000 0.311 467 W C 2.166 178.817 176.519 0.219 0.000 1.213 467 W CA 0.858 58.216 57.345 0.022 0.000 1.274 467 W CB -0.889 28.515 29.460 -0.094 0.000 1.148 467 W HN 0.241 nan 8.180 nan 0.000 0.498 468 F N -0.660 119.276 119.950 -0.024 0.000 2.365 468 F HA 0.074 4.601 4.527 0.000 0.000 0.300 468 F C 2.184 177.926 175.800 -0.097 0.000 1.090 468 F CA 0.815 58.597 58.000 -0.363 0.000 1.408 468 F CB -0.383 38.383 39.000 -0.390 0.000 1.060 468 F HN 0.148 nan 8.300 nan 0.000 0.534 469 G N -0.388 108.552 108.800 0.234 0.000 3.288 469 G HA2 -0.144 3.817 3.960 0.000 0.000 0.219 469 G HA3 -0.144 3.817 3.960 0.000 0.000 0.219 469 G C -0.038 175.003 174.900 0.235 0.000 0.944 469 G CA -0.519 44.708 45.100 0.212 0.000 0.854 469 G HN 0.060 nan 8.290 nan 0.000 0.632 470 T N 2.094 116.797 114.554 0.249 0.000 2.916 470 T HA 0.555 4.905 4.350 0.000 0.000 0.303 470 T C 0.946 175.770 174.700 0.207 0.000 1.025 470 T CA 0.798 63.051 62.100 0.255 0.000 1.142 470 T CB 1.593 70.551 68.868 0.150 0.000 0.947 470 T HN 0.998 nan 8.240 nan 0.000 0.544 474 C N 3.706 123.117 119.300 0.186 0.000 2.632 474 C HA 0.351 4.811 4.460 0.000 0.000 0.415 474 C C 0.608 175.540 174.990 -0.098 0.000 1.332 474 C CA -0.317 58.767 59.018 0.109 0.000 1.874 474 C CB -0.498 27.216 27.740 -0.043 0.000 2.596 474 C HN 0.730 nan 8.230 nan 0.000 0.590 475 Y N 4.760 124.786 120.300 -0.456 0.000 2.281 475 Y HA 0.689 5.239 4.550 0.000 0.000 0.337 475 Y C -0.562 174.965 175.900 -0.622 0.000 1.304 475 Y CA -1.141 56.311 58.100 -1.079 0.000 1.465 475 Y CB 0.518 38.546 38.460 -0.721 0.000 1.350 475 Y HN 0.372 nan 8.280 nan 0.000 0.575 476 V N 1.996 121.406 119.914 -0.840 0.000 2.623 476 V HA 0.280 4.400 4.120 0.000 0.000 0.304 476 V C -0.101 175.678 176.094 -0.524 0.000 1.054 476 V CA -0.518 61.475 62.300 -0.511 0.000 0.882 476 V CB 1.855 33.596 31.823 -0.136 0.000 1.002 476 V HN 1.042 nan 8.190 nan 0.000 0.424 477 T N 2.238 116.457 114.554 -0.558 0.000 2.927 477 T HA 0.468 4.818 4.350 0.000 0.000 0.281 477 T C -1.903 172.634 174.700 -0.271 0.000 0.998 477 T CA -2.049 59.793 62.100 -0.430 0.000 1.019 477 T CB 1.924 70.550 68.868 -0.403 0.000 1.061 477 T HN 0.370 nan 8.240 nan 0.000 0.518 478 P HA -0.084 nan 4.420 nan 0.000 0.217 478 P C 0.857 178.065 177.300 -0.152 0.000 1.151 478 P CA 1.289 64.206 63.100 -0.306 0.000 0.849 478 P CB 0.016 31.435 31.700 -0.468 0.000 0.787 479 K N -0.317 119.990 120.400 -0.155 0.000 2.589 479 K HA 0.025 4.345 4.320 0.000 0.000 0.204 479 K C 0.328 176.881 176.600 -0.077 0.000 1.029 479 K CA -0.009 56.221 56.287 -0.095 0.000 1.177 479 K CB -0.244 32.207 32.500 -0.083 0.000 0.902 479 K HN 0.173 nan 8.250 nan 0.000 0.501 480 E N 0.689 120.824 120.200 -0.108 0.000 2.344 480 E HA -0.028 4.323 4.350 0.000 0.000 0.270 480 E C -0.436 176.106 176.600 -0.097 0.000 1.021 480 E CA 0.605 56.901 56.400 -0.173 0.000 0.887 480 E CB 0.121 29.650 29.700 -0.286 0.000 0.997 480 E HN 0.279 nan 8.360 nan 0.000 0.429 481 H N 1.367 120.452 119.070 0.025 0.000 3.636 481 H HA -0.204 4.353 4.556 0.000 0.000 0.179 481 H C 0.504 175.845 175.328 0.022 0.000 0.968 481 H CA 0.899 56.969 56.048 0.036 0.000 1.220 481 H CB -0.996 28.802 29.762 0.060 0.000 1.023 481 H HN 0.438 nan 8.280 nan 0.000 0.366 482 L N -1.963 119.322 121.223 0.104 0.000 2.664 482 L HA 0.479 4.819 4.340 0.000 0.000 0.198 482 L C 1.390 178.277 176.870 0.027 0.000 1.057 482 L CA 0.646 55.523 54.840 0.061 0.000 0.871 482 L CB 1.060 43.145 42.059 0.044 0.000 1.364 482 L HN 0.262 nan 8.230 nan 0.000 0.483 483 G N -0.433 108.371 108.800 0.008 0.000 2.664 483 G HA2 0.496 4.456 3.960 0.000 0.000 0.303 483 G HA3 0.496 4.456 3.960 0.000 0.000 0.303 483 G C -1.855 173.038 174.900 -0.012 0.000 1.243 483 G CA -0.633 44.465 45.100 -0.002 0.000 0.826 483 G HN -0.118 nan 8.290 nan 0.000 0.498 484 L N 1.458 122.673 121.223 -0.013 0.000 2.309 484 L HA 0.433 4.773 4.340 0.000 0.000 0.282 484 L C -2.205 174.654 176.870 -0.018 0.000 1.036 484 L CA -1.710 53.124 54.840 -0.011 0.000 0.806 484 L CB 1.963 44.019 42.059 -0.005 0.000 1.220 484 L HN 0.221 nan 8.230 nan 0.000 0.429 485 P HA 0.105 nan 4.420 nan 0.000 0.276 485 P C -1.129 176.175 177.300 0.006 0.000 1.243 485 P CA -0.440 62.652 63.100 -0.013 0.000 0.768 485 P CB 0.478 32.182 31.700 0.007 0.000 0.856 486 D N 2.222 122.618 120.400 -0.007 0.000 2.447 486 D HA 0.081 4.721 4.640 0.000 0.000 0.265 486 D C 1.347 177.660 176.300 0.022 0.000 1.250 486 D CA -0.607 53.387 54.000 -0.009 0.000 1.046 486 D CB 0.570 41.352 40.800 -0.030 0.000 1.095 486 D HN 0.323 nan 8.370 nan 0.000 0.555 487 R N -0.276 120.207 120.500 -0.028 0.000 2.096 487 R HA -0.166 4.174 4.340 0.000 0.000 0.235 487 R C 0.835 177.268 176.300 0.221 0.000 1.127 487 R CA 1.370 57.455 56.100 -0.025 0.000 0.968 487 R CB -0.484 29.559 30.300 -0.429 0.000 0.861 487 R HN 0.332 nan 8.270 nan 0.000 0.440 488 D N 1.158 121.621 120.400 0.106 0.000 2.117 488 D HA -0.138 4.502 4.640 0.000 0.000 0.197 488 D C 1.439 177.781 176.300 0.070 0.000 0.987 488 D CA 1.372 55.442 54.000 0.117 0.000 0.829 488 D CB -0.341 40.481 40.800 0.037 0.000 0.961 488 D HN 0.309 nan 8.370 nan 0.000 0.460 489 D N 0.239 120.651 120.400 0.021 0.000 2.104 489 D HA -0.114 4.527 4.640 0.000 0.000 0.194 489 D C 2.276 178.581 176.300 0.008 0.000 0.994 489 D CA 0.510 54.479 54.000 -0.051 0.000 0.830 489 D CB -0.334 40.418 40.800 -0.079 0.000 0.959 489 D HN 0.083 nan 8.370 nan 0.000 0.452 490 V N 1.136 121.139 119.914 0.148 0.000 2.490 490 V HA -0.230 3.890 4.120 0.000 0.000 0.250 490 V C 2.480 178.725 176.094 0.252 0.000 1.061 490 V CA 1.473 63.947 62.300 0.291 0.000 1.064 490 V CB -0.368 31.702 31.823 0.411 0.000 0.670 490 V HN 0.174 nan 8.190 nan 0.000 0.461 491 K N -0.189 120.311 120.400 0.167 0.000 2.025 491 K HA -0.162 4.158 4.320 0.000 0.000 0.207 491 K C 2.159 178.665 176.600 -0.156 0.000 1.049 491 K CA 1.898 58.083 56.287 -0.169 0.000 0.933 491 K CB -0.278 32.027 32.500 -0.325 0.000 0.714 491 K HN 0.528 nan 8.250 nan 0.000 0.438 492 T N -0.095 114.400 114.554 -0.098 0.000 2.803 492 T HA -0.112 4.238 4.350 0.000 0.000 0.269 492 T C 1.759 176.459 174.700 0.000 0.000 1.052 492 T CA 1.275 63.323 62.100 -0.087 0.000 1.136 492 T CB -0.433 68.344 68.868 -0.152 0.000 0.864 492 T HN 0.475 nan 8.240 nan 0.000 0.467 493 G N 1.127 109.937 108.800 0.017 0.000 2.394 493 G HA2 -0.121 3.839 3.960 0.000 0.000 0.214 493 G HA3 -0.121 3.839 3.960 0.000 0.000 0.214 493 G C 1.683 176.804 174.900 0.369 0.000 1.176 493 G CA 0.713 45.855 45.100 0.070 0.000 0.786 493 G HN 0.438 nan 8.290 nan 0.000 0.533 494 V N 1.602 121.743 119.914 0.378 0.000 2.261 494 V HA -0.139 3.981 4.120 0.000 0.000 0.246 494 V C 2.796 179.016 176.094 0.210 0.000 1.047 494 V CA 1.116 63.581 62.300 0.275 0.000 1.015 494 V CB -0.414 31.494 31.823 0.142 0.000 0.642 494 V HN 0.222 nan 8.190 nan 0.000 0.446 495 I N 0.491 121.119 120.570 0.096 0.000 2.208 495 I HA -0.232 3.938 4.170 0.000 0.000 0.245 495 I C 2.579 178.764 176.117 0.114 0.000 1.097 495 I CA 1.970 63.306 61.300 0.059 0.000 1.363 495 I CB -1.775 36.184 38.000 -0.069 0.000 1.051 495 I HN 0.331 nan 8.210 nan 0.000 0.413 496 T N -0.182 114.475 114.554 0.171 0.000 2.759 496 T HA -0.217 4.133 4.350 0.000 0.000 0.269 496 T C 1.911 176.714 174.700 0.172 0.000 1.042 496 T CA 1.529 63.741 62.100 0.187 0.000 1.140 496 T CB -0.369 68.676 68.868 0.296 0.000 0.864 496 T HN 0.298 nan 8.240 nan 0.000 0.455 497 Y N 0.668 121.036 120.300 0.113 0.000 2.365 497 Y HA 0.071 4.621 4.550 0.000 0.000 0.293 497 Y C 2.547 178.500 175.900 0.089 0.000 1.119 497 Y CA 0.299 58.465 58.100 0.110 0.000 1.203 497 Y CB 0.147 38.705 38.460 0.163 0.000 1.026 497 Y HN -0.080 nan 8.280 nan 0.000 0.549 498 K N 0.581 121.115 120.400 0.223 0.000 2.032 498 K HA -0.194 4.126 4.320 0.000 0.000 0.209 498 K C 2.055 178.711 176.600 0.095 0.000 1.048 498 K CA 1.658 58.038 56.287 0.155 0.000 0.927 498 K CB -0.873 31.723 32.500 0.159 0.000 0.712 498 K HN 0.372 nan 8.250 nan 0.000 0.441 499 L N -0.628 120.624 121.223 0.048 0.000 2.141 499 L HA 0.082 4.422 4.340 0.000 0.000 0.209 499 L C 2.150 179.011 176.870 -0.016 0.000 1.094 499 L CA 1.930 56.770 54.840 0.000 0.000 0.763 499 L CB -0.881 41.157 42.059 -0.035 0.000 0.908 499 L HN -0.000 nan 8.230 nan 0.000 0.437 500 A N 0.444 123.224 122.820 -0.066 0.000 1.902 500 A HA 0.038 4.358 4.320 0.000 0.000 0.217 500 A C 2.526 180.063 177.584 -0.079 0.000 1.181 500 A CA 1.823 53.776 52.037 -0.141 0.000 0.623 500 A CB -1.189 17.615 19.000 -0.327 0.000 0.818 500 A HN 0.632 nan 8.150 nan 0.000 0.443 501 A N -1.225 121.589 122.820 -0.009 0.000 1.969 501 A HA -0.119 4.201 4.320 0.000 0.000 0.218 501 A C 2.002 179.604 177.584 0.030 0.000 1.169 501 A CA 2.027 54.081 52.037 0.029 0.000 0.635 501 A CB -0.750 18.297 19.000 0.078 0.000 0.810 501 A HN 0.757 nan 8.150 nan 0.000 0.445 502 H N -0.013 119.025 119.070 -0.054 0.000 2.333 502 H HA 0.137 4.693 4.556 0.000 0.000 0.302 502 H C 2.167 177.434 175.328 -0.101 0.000 1.075 502 H CA 1.677 57.680 56.048 -0.076 0.000 1.348 502 H CB -0.314 29.366 29.762 -0.137 0.000 1.393 502 H HN 0.351 nan 8.280 nan 0.000 0.509 503 A N 0.891 123.597 122.820 -0.190 0.000 1.948 503 A HA -0.157 4.163 4.320 0.000 0.000 0.220 503 A C 2.587 179.999 177.584 -0.286 0.000 1.177 503 A CA 1.976 53.852 52.037 -0.268 0.000 0.636 503 A CB -1.361 17.528 19.000 -0.185 0.000 0.815 503 A HN 0.628 nan 8.150 nan 0.000 0.449 504 A N -0.274 122.437 122.820 -0.181 0.000 1.898 504 A HA -0.144 4.176 4.320 0.000 0.000 0.216 504 A C 1.802 179.346 177.584 -0.067 0.000 1.181 504 A CA 1.721 53.699 52.037 -0.099 0.000 0.620 504 A CB -0.513 18.491 19.000 0.007 0.000 0.819 504 A HN 0.456 nan 8.150 nan 0.000 0.442 505 D N -0.052 120.288 120.400 -0.100 0.000 2.117 505 D HA -0.131 4.509 4.640 0.000 0.000 0.197 505 D C 1.933 178.180 176.300 -0.088 0.000 0.987 505 D CA 0.804 54.770 54.000 -0.057 0.000 0.829 505 D CB -0.340 40.391 40.800 -0.116 0.000 0.961 505 D HN 0.394 nan 8.370 nan 0.000 0.460 506 L N 0.561 121.614 121.223 -0.283 0.000 2.012 506 L HA -0.210 4.130 4.340 0.000 0.000 0.210 506 L C 2.284 179.041 176.870 -0.189 0.000 1.073 506 L CA 1.484 56.167 54.840 -0.261 0.000 0.748 506 L CB -0.221 41.609 42.059 -0.382 0.000 0.891 506 L HN -0.015 nan 8.230 nan 0.000 0.431 507 A N -0.541 122.112 122.820 -0.279 0.000 1.968 507 A HA -0.176 4.144 4.320 0.000 0.000 0.217 507 A C 2.094 179.640 177.584 -0.063 0.000 1.169 507 A CA 1.147 52.947 52.037 -0.394 0.000 0.638 507 A CB -0.242 18.136 19.000 -1.037 0.000 0.812 507 A HN 0.365 nan 8.150 nan 0.000 0.446 508 K N -1.056 119.410 120.400 0.110 0.000 2.504 508 K HA 0.130 4.450 4.320 0.000 0.000 0.195 508 K C 1.060 177.741 176.600 0.136 0.000 1.036 508 K CA 0.483 56.926 56.287 0.261 0.000 0.984 508 K CB -0.198 32.474 32.500 0.286 0.000 0.788 508 K HN 0.657 nan 8.250 nan 0.000 0.488 509 G N 1.928 110.770 108.800 0.070 0.000 2.147 509 G HA2 -0.301 3.659 3.960 0.000 0.000 0.244 509 G HA3 -0.301 3.659 3.960 0.000 0.000 0.244 509 G C -0.168 174.771 174.900 0.065 0.000 1.005 509 G CA 0.002 45.128 45.100 0.043 0.000 0.713 509 G HN 0.526 nan 8.290 nan 0.000 0.515 510 H N 1.142 120.223 119.070 0.018 0.000 3.094 510 H HA 0.078 4.634 4.556 0.000 0.000 0.320 510 H C -0.609 174.742 175.328 0.038 0.000 1.000 510 H CA -0.101 55.967 56.048 0.032 0.000 1.413 510 H CB 0.974 30.764 29.762 0.047 0.000 1.405 510 H HN 0.102 nan 8.280 nan 0.000 0.586 511 P HA -0.118 nan 4.420 nan 0.000 0.217 511 P C 1.162 178.578 177.300 0.192 0.000 1.148 511 P CA 1.954 65.087 63.100 0.055 0.000 0.828 511 P CB 0.093 31.767 31.700 -0.044 0.000 0.783 512 G N -1.468 107.561 108.800 0.381 0.000 2.887 512 G HA2 0.141 4.101 3.960 0.000 0.000 0.211 512 G HA3 0.141 4.101 3.960 0.000 0.000 0.211 512 G C 1.458 176.526 174.900 0.281 0.000 1.152 512 G CA 0.581 45.853 45.100 0.287 0.000 0.769 512 G HN 0.287 nan 8.290 nan 0.000 0.541 513 A N 1.172 124.162 122.820 0.283 0.000 1.873 513 A HA 0.546 4.866 4.320 0.000 0.000 0.215 513 A C 2.003 179.756 177.584 0.282 0.000 1.186 513 A CA 1.347 53.560 52.037 0.292 0.000 0.616 513 A CB -0.755 18.287 19.000 0.070 0.000 0.823 513 A HN 0.744 nan 8.150 nan 0.000 0.442 517 D N 1.084 121.593 120.400 0.182 0.000 2.097 517 D HA -0.162 4.478 4.640 0.000 0.000 0.195 517 D C 1.435 177.756 176.300 0.035 0.000 0.989 517 D CA 2.441 56.462 54.000 0.035 0.000 0.827 517 D CB -0.012 40.821 40.800 0.054 0.000 0.966 517 D HN 0.015 nan 8.370 nan 0.000 0.456 518 D N -0.425 120.010 120.400 0.059 0.000 2.183 518 D HA -0.021 4.619 4.640 0.000 0.000 0.203 518 D C 1.880 178.196 176.300 0.027 0.000 0.969 518 D CA 0.870 54.882 54.000 0.021 0.000 0.842 518 D CB -0.313 40.495 40.800 0.014 0.000 0.957 518 D HN 0.185 nan 8.370 nan 0.000 0.484 519 A N 0.857 123.724 122.820 0.079 0.000 1.898 519 A HA -0.096 4.224 4.320 0.000 0.000 0.216 519 A C 2.154 179.773 177.584 0.058 0.000 1.181 519 A CA 0.577 52.660 52.037 0.076 0.000 0.620 519 A CB -0.524 18.547 19.000 0.119 0.000 0.819 519 A HN 0.185 nan 8.150 nan 0.000 0.442 520 I N -0.173 120.445 120.570 0.080 0.000 2.546 520 I HA -0.114 4.056 4.170 0.000 0.000 0.255 520 I C 2.035 178.129 176.117 -0.039 0.000 1.163 520 I CA 1.374 62.691 61.300 0.029 0.000 1.457 520 I CB -0.354 37.657 38.000 0.017 0.000 1.092 520 I HN 0.247 nan 8.210 nan 0.000 0.434 521 S N 0.363 116.040 115.700 -0.039 0.000 2.406 521 S HA -0.014 4.456 4.470 0.000 0.000 0.224 521 S C 1.941 176.503 174.600 -0.065 0.000 1.030 521 S CA 0.508 58.670 58.200 -0.064 0.000 0.958 521 S CB -0.002 63.161 63.200 -0.063 0.000 0.811 521 S HN 0.410 nan 8.310 nan 0.000 0.489 522 R N 1.287 121.758 120.500 -0.049 0.000 2.091 522 R HA -0.048 4.292 4.340 0.000 0.000 0.238 522 R C 2.538 178.815 176.300 -0.039 0.000 1.136 522 R CA 1.315 57.400 56.100 -0.024 0.000 0.959 522 R CB -0.499 29.790 30.300 -0.018 0.000 0.856 522 R HN 0.387 nan 8.270 nan 0.000 0.437 523 A N 1.054 123.823 122.820 -0.084 0.000 1.908 523 A HA -0.202 4.118 4.320 0.000 0.000 0.218 523 A C 2.133 179.533 177.584 -0.307 0.000 1.181 523 A CA 1.318 53.259 52.037 -0.161 0.000 0.627 523 A CB -0.484 18.430 19.000 -0.144 0.000 0.818 523 A HN 0.215 nan 8.150 nan 0.000 0.445 524 R N -1.951 118.370 120.500 -0.298 0.000 2.091 524 R HA -0.160 4.180 4.340 0.000 0.000 0.238 524 R C 1.977 177.959 176.300 -0.531 0.000 1.136 524 R CA 1.831 57.666 56.100 -0.443 0.000 0.959 524 R CB -0.420 29.717 30.300 -0.272 0.000 0.856 524 R HN 0.584 nan 8.270 nan 0.000 0.437 525 F N 1.542 121.205 119.950 -0.479 0.000 2.234 525 F HA -0.096 4.431 4.527 0.000 0.000 0.299 525 F C 1.265 176.678 175.800 -0.645 0.000 1.087 525 F CA 1.427 59.120 58.000 -0.511 0.000 1.340 525 F CB 0.205 39.030 39.000 -0.291 0.000 1.031 525 F HN 0.023 nan 8.300 nan 0.000 0.500 526 E N -0.833 119.075 120.200 -0.486 0.000 2.474 526 E HA 0.018 4.368 4.350 0.000 0.000 0.195 526 E C -0.119 176.306 176.600 -0.292 0.000 1.039 526 E CA 0.096 56.263 56.400 -0.390 0.000 0.881 526 E CB -0.034 29.597 29.700 -0.115 0.000 0.970 526 E HN 0.358 nan 8.360 nan 0.000 0.486 527 F N 0.262 119.970 119.950 -0.403 0.000 3.034 527 F HA -0.268 4.259 4.527 0.000 0.000 0.286 527 F C 0.211 175.730 175.800 -0.469 0.000 0.804 527 F CA 0.416 58.093 58.000 -0.538 0.000 1.161 527 F CB -2.013 36.891 39.000 -0.160 0.000 1.317 527 F HN 0.063 nan 8.300 nan 0.000 0.453 528 R N -0.001 120.318 120.500 -0.302 0.000 3.688 528 R HA 0.043 4.383 4.340 0.000 0.000 0.194 528 R C 0.753 176.863 176.300 -0.315 0.000 1.677 528 R CA -0.108 55.862 56.100 -0.217 0.000 1.351 528 R CB -0.483 29.721 30.300 -0.160 0.000 1.338 528 R HN 0.442 nan 8.270 nan 0.000 0.731 529 W N 0.886 122.014 121.300 -0.285 0.000 2.342 529 W HA -0.170 4.491 4.660 0.000 0.000 0.297 529 W C 1.846 177.746 176.519 -1.033 0.000 1.213 529 W CA 0.654 57.613 57.345 -0.643 0.000 1.251 529 W CB 0.096 29.223 29.460 -0.555 0.000 1.136 529 W HN 0.362 nan 8.180 nan 0.000 0.526 530 E N 0.112 120.123 120.200 -0.316 0.000 2.150 530 E HA -0.162 4.188 4.350 0.000 0.000 0.193 530 E C 1.488 178.009 176.600 -0.131 0.000 0.985 530 E CA 1.363 57.657 56.400 -0.176 0.000 0.814 530 E CB -0.560 29.161 29.700 0.036 0.000 0.752 530 E HN 0.351 nan 8.360 nan 0.000 0.466 531 D N 0.470 120.788 120.400 -0.137 0.000 2.183 531 D HA -0.125 4.515 4.640 0.000 0.000 0.203 531 D C 1.937 178.191 176.300 -0.076 0.000 0.969 531 D CA 0.638 54.602 54.000 -0.060 0.000 0.842 531 D CB -0.163 40.613 40.800 -0.041 0.000 0.957 531 D HN 0.269 nan 8.370 nan 0.000 0.484 532 Q N -0.258 119.408 119.800 -0.223 0.000 2.050 532 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 532 Q C 1.806 177.830 176.000 0.040 0.000 0.980 532 Q CA 1.160 56.868 55.803 -0.159 0.000 0.840 532 Q CB -0.073 28.484 28.738 -0.300 0.000 0.898 532 Q HN 0.116 nan 8.270 nan 0.000 0.424 533 F N 1.477 121.471 119.950 0.073 0.000 2.069 533 F HA -0.183 4.344 4.527 0.000 0.000 0.298 533 F C 2.102 177.953 175.800 0.085 0.000 1.113 533 F CA 1.103 59.147 58.000 0.074 0.000 1.214 533 F CB -1.185 37.858 39.000 0.072 0.000 0.978 533 F HN 0.212 nan 8.300 nan 0.000 0.474 534 N N 0.363 119.213 118.700 0.249 0.000 2.381 534 N HA -0.088 4.652 4.740 0.000 0.000 0.182 534 N C 1.775 177.390 175.510 0.175 0.000 1.025 534 N CA 0.725 53.883 53.050 0.181 0.000 0.888 534 N CB -0.470 38.092 38.487 0.126 0.000 0.965 534 N HN 0.302 nan 8.380 nan 0.000 0.438 535 L N -0.067 121.272 121.223 0.194 0.000 2.591 535 L HA 0.183 4.523 4.340 0.000 0.000 0.228 535 L C 1.301 178.432 176.870 0.435 0.000 1.133 535 L CA -0.325 54.699 54.840 0.306 0.000 0.880 535 L CB -0.284 41.944 42.059 0.280 0.000 1.033 535 L HN 0.022 nan 8.230 nan 0.000 0.450 536 G N -0.771 108.195 108.800 0.277 0.000 2.537 536 G HA2 0.335 4.296 3.960 0.000 0.000 0.273 536 G HA3 0.335 4.296 3.960 0.000 0.000 0.273 536 G C 0.712 175.759 174.900 0.246 0.000 1.189 536 G CA -0.591 44.631 45.100 0.203 0.000 0.881 536 G HN 0.041 nan 8.290 nan 0.000 0.535 537 L N -0.645 120.671 121.223 0.155 0.000 2.376 537 L HA 0.092 4.432 4.340 0.000 0.000 0.219 537 L C 0.693 177.672 176.870 0.181 0.000 1.133 537 L CA 0.824 55.778 54.840 0.190 0.000 0.816 537 L CB 0.154 42.264 42.059 0.086 0.000 0.933 537 L HN 0.421 nan 8.230 nan 0.000 0.449 538 D N -1.575 118.881 120.400 0.093 0.000 2.586 538 D HA 0.167 4.807 4.640 0.000 0.000 0.254 538 D C -1.979 174.334 176.300 0.021 0.000 1.248 538 D CA -1.597 52.422 54.000 0.031 0.000 0.843 538 D CB 1.054 41.735 40.800 -0.198 0.000 1.332 538 D HN -0.211 nan 8.370 nan 0.000 0.523 539 P HA -0.101 nan 4.420 nan 0.000 0.215 539 P C 1.094 178.394 177.300 0.001 0.000 1.153 539 P CA 1.037 64.203 63.100 0.110 0.000 0.853 539 P CB 0.482 32.286 31.700 0.174 0.000 0.788 540 E N -1.077 119.141 120.200 0.030 0.000 2.085 540 E HA -0.143 4.207 4.350 0.000 0.000 0.194 540 E C 1.923 178.436 176.600 -0.146 0.000 0.994 540 E CA 1.570 57.961 56.400 -0.015 0.000 0.801 540 E CB -0.631 29.116 29.700 0.079 0.000 0.743 540 E HN 0.227 nan 8.360 nan 0.000 0.453 541 T N 0.545 114.957 114.554 -0.236 0.000 2.737 541 T HA -0.130 4.221 4.350 0.000 0.000 0.265 541 T C 1.943 176.222 174.700 -0.703 0.000 1.038 541 T CA 1.152 62.948 62.100 -0.507 0.000 1.144 541 T CB -0.223 68.287 68.868 -0.597 0.000 0.866 541 T HN 0.261 nan 8.240 nan 0.000 0.434 542 A N 1.713 124.251 122.820 -0.471 0.000 1.883 542 A HA -0.157 4.163 4.320 0.000 0.000 0.217 542 A C 2.275 179.485 177.584 -0.624 0.000 1.186 542 A CA 2.008 53.814 52.037 -0.385 0.000 0.624 542 A CB -0.614 18.330 19.000 -0.092 0.000 0.822 542 A HN 0.439 nan 8.150 nan 0.000 0.444 543 R N -0.258 119.745 120.500 -0.829 0.000 2.092 543 R HA -0.137 4.203 4.340 0.000 0.000 0.231 543 R C 2.268 178.360 176.300 -0.346 0.000 1.119 543 R CA 1.803 57.309 56.100 -0.989 0.000 0.970 543 R CB -0.243 29.717 30.300 -0.567 0.000 0.864 543 R HN 0.566 nan 8.270 nan 0.000 0.440 544 K N -0.351 119.947 120.400 -0.171 0.000 2.026 544 K HA -0.142 4.179 4.320 0.000 0.000 0.208 544 K C 1.762 178.484 176.600 0.203 0.000 1.048 544 K CA 1.417 57.726 56.287 0.036 0.000 0.929 544 K CB -0.127 32.430 32.500 0.094 0.000 0.713 544 K HN 0.087 nan 8.250 nan 0.000 0.439 545 F N 0.889 120.798 119.950 -0.068 0.000 2.269 545 F HA -0.081 4.446 4.527 0.000 0.000 0.301 545 F C 1.649 177.449 175.800 0.000 0.000 1.082 545 F CA 0.720 58.707 58.000 -0.022 0.000 1.360 545 F CB -1.254 37.749 39.000 0.004 0.000 1.041 545 F HN 0.220 nan 8.300 nan 0.000 0.512 546 H N 0.000 119.119 119.070 0.082 0.000 2.539 546 H HA 0.000 4.556 4.556 0.000 0.000 0.296 546 H CA 0.000 56.067 56.048 0.031 0.000 1.023 546 H CB 0.000 29.778 29.762 0.027 0.000 1.292 546 H HN 0.000 nan 8.280 nan 0.000 0.496