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 3c8h_1_B DATA FIRST_RESID 6 DATA SEQUENCE VGSESWWQSK HGPEWQRLND EXFEVTFWWR DPQGSEEYST IKRVWVYITG DATA SEQUENCE VTDXXXXXXP QSXQRIAGTD VWQWTTQLNA NWRGSYCFIP TERDDIFSAP DATA SEQUENCE SPDRLELREG WRKLLPQAIA DPLNPQSWKG GLGHAVSALE XPQAPLQPGW DATA SEQUENCE DCPQAPEIPA KEIIWKSERL KNSRRVWIFT TGDVXXXERP LAVLLDGEFW DATA SEQUENCE AQSXPVWPVL TSLTHRQQLP PAVYVLIDAI DTTHRAHELP CNADFWLAVQ DATA SEQUENCE QELLPLVKVI APFSDRADRT VVAGQSFGGL SALYAGLHWP ERFGCVLSQS DATA SEQUENCE GSYWWPHRGG QQEGVLLEKL KAGEVSAEGL RIVLEAGIRE PXIXRANQAL DATA SEQUENCE YAQLHPIKES IFWRQVDGGH DALCWRGGLX QGLIDLWQPL 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 6 V HA 0.000 nan 4.120 nan 0.000 0.244 6 V C 0.000 175.533 176.094 -0.935 0.000 1.182 6 V CA 0.000 61.352 62.300 -1.579 0.000 1.235 6 V CB 0.000 31.237 31.823 -0.977 0.000 1.184 7 G N 3.906 112.143 108.800 -0.939 0.000 2.420 7 G HA2 -0.228 3.733 3.960 0.002 0.000 0.221 7 G HA3 -0.228 3.733 3.960 0.002 0.000 0.221 7 G C 0.521 175.513 174.900 0.153 0.000 1.117 7 G CA 0.440 45.448 45.100 -0.154 0.000 0.657 7 G HN 1.982 nan 8.290 nan 0.000 0.512 8 S N 1.219 116.939 115.700 0.034 0.000 2.599 8 S HA 0.242 4.713 4.470 0.002 0.000 0.303 8 S C 1.083 175.841 174.600 0.263 0.000 1.267 8 S CA 1.068 59.344 58.200 0.127 0.000 1.055 8 S CB 1.556 64.801 63.200 0.075 0.000 0.790 8 S HN 0.811 nan 8.310 nan 0.000 0.500 9 E N 3.091 123.422 120.200 0.219 0.000 2.130 9 E HA -0.211 4.140 4.350 0.002 0.000 0.196 9 E C 2.010 178.727 176.600 0.196 0.000 0.998 9 E CA 2.056 58.594 56.400 0.230 0.000 0.806 9 E CB -0.628 29.149 29.700 0.128 0.000 0.738 9 E HN 0.868 nan 8.360 nan 0.000 0.459 10 S N -0.968 114.813 115.700 0.136 0.000 2.383 10 S HA -0.177 4.294 4.470 0.002 0.000 0.227 10 S C 1.988 176.623 174.600 0.059 0.000 1.026 10 S CA 0.880 59.128 58.200 0.080 0.000 0.981 10 S CB -1.159 62.074 63.200 0.055 0.000 0.818 10 S HN 0.577 nan 8.310 nan 0.000 0.472 11 W N 1.305 122.546 121.300 -0.099 0.000 2.338 11 W HA -0.060 4.601 4.660 0.002 0.000 0.304 11 W C 1.780 178.121 176.519 -0.296 0.000 1.212 11 W CA 1.268 58.469 57.345 -0.239 0.000 1.264 11 W CB -0.616 28.642 29.460 -0.336 0.000 1.142 11 W HN 0.315 nan 8.180 nan 0.000 0.512 12 W N 0.345 121.649 121.300 0.006 0.000 2.363 12 W HA -0.190 4.471 4.660 0.002 0.000 0.296 12 W C 2.603 178.917 176.519 -0.341 0.000 1.212 12 W CA 1.483 58.712 57.345 -0.194 0.000 1.260 12 W CB -0.873 28.606 29.460 0.032 0.000 1.131 12 W HN -0.082 nan 8.180 nan 0.000 0.530 13 Q N -0.019 119.767 119.800 -0.024 0.000 2.173 13 Q HA -0.250 4.091 4.340 0.002 0.000 0.208 13 Q C 2.252 178.074 176.000 -0.297 0.000 0.989 13 Q CA 2.564 58.303 55.803 -0.107 0.000 0.872 13 Q CB -0.490 28.221 28.738 -0.046 0.000 0.909 13 Q HN 0.248 nan 8.270 nan 0.000 0.420 14 S N -0.872 114.577 115.700 -0.418 0.000 2.603 14 S HA 0.054 4.526 4.470 0.002 0.000 0.220 14 S C 0.157 174.366 174.600 -0.651 0.000 0.967 14 S CA -0.116 57.798 58.200 -0.477 0.000 0.920 14 S CB 0.261 63.180 63.200 -0.468 0.000 0.773 14 S HN -0.038 nan 8.310 nan 0.000 0.529 15 K N 2.460 122.440 120.400 -0.700 0.000 2.211 15 K HA 0.292 4.613 4.320 0.002 0.000 0.275 15 K C -0.616 175.678 176.600 -0.511 0.000 1.024 15 K CA -0.277 55.682 56.287 -0.546 0.000 0.887 15 K CB 0.629 32.900 32.500 -0.382 0.000 1.084 15 K HN 0.379 nan 8.250 nan 0.000 0.463 16 H N 1.169 120.242 119.070 0.004 0.000 2.535 16 H HA 0.250 4.807 4.556 0.002 0.000 0.232 16 H C 0.823 176.248 175.328 0.162 0.000 1.405 16 H CA -0.012 56.084 56.048 0.079 0.000 1.224 16 H CB 0.678 30.460 29.762 0.033 0.000 1.763 16 H HN 0.972 nan 8.280 nan 0.000 0.529 17 G N 1.777 110.779 108.800 0.336 0.000 2.587 17 G HA2 -0.211 3.750 3.960 0.002 0.000 0.212 17 G HA3 -0.211 3.750 3.960 0.002 0.000 0.212 17 G C -2.753 172.407 174.900 0.432 0.000 1.327 17 G CA -1.274 44.085 45.100 0.432 0.000 0.898 17 G HN 0.201 nan 8.290 nan 0.000 0.551 18 P HA 0.422 nan 4.420 nan 0.000 0.270 18 P C -0.320 177.050 177.300 0.116 0.000 1.223 18 P CA 0.231 63.449 63.100 0.197 0.000 0.785 18 P CB 0.697 32.339 31.700 -0.097 0.000 0.923 19 E N 0.487 120.748 120.200 0.103 0.000 2.222 19 E HA 0.470 4.822 4.350 0.002 0.000 0.267 19 E C -1.327 175.270 176.600 -0.006 0.000 0.884 19 E CA -0.709 55.635 56.400 -0.094 0.000 0.764 19 E CB 0.946 30.755 29.700 0.180 0.000 1.169 19 E HN 0.397 nan 8.360 nan 0.000 0.413 20 W N 2.145 123.483 121.300 0.063 0.000 2.781 20 W HA 0.641 5.302 4.660 0.002 0.000 0.345 20 W C -0.744 175.874 176.519 0.166 0.000 1.085 20 W CA -0.779 56.622 57.345 0.095 0.000 1.198 20 W CB 0.887 30.410 29.460 0.105 0.000 1.423 20 W HN 0.161 nan 8.180 nan 0.000 0.532 21 Q N 1.682 121.710 119.800 0.381 0.000 2.451 21 Q HA 0.390 4.731 4.340 0.002 0.000 0.281 21 Q C -1.169 174.861 176.000 0.050 0.000 1.099 21 Q CA -1.390 54.547 55.803 0.224 0.000 0.806 21 Q CB 2.810 31.593 28.738 0.076 0.000 1.419 21 Q HN 0.770 nan 8.270 nan 0.000 0.427 22 R N 2.160 122.548 120.500 -0.186 0.000 2.296 22 R HA 0.213 4.554 4.340 0.002 0.000 0.323 22 R C 0.650 176.711 176.300 -0.399 0.000 1.067 22 R CA 0.274 55.971 56.100 -0.672 0.000 0.946 22 R CB 0.009 30.024 30.300 -0.475 0.000 0.991 22 R HN 0.699 nan 8.270 nan 0.000 0.448 23 L N 3.299 124.267 121.223 -0.425 0.000 2.121 23 L HA 0.169 4.510 4.340 0.002 0.000 0.200 23 L C 0.344 177.109 176.870 -0.175 0.000 1.077 23 L CA 1.149 55.863 54.840 -0.210 0.000 0.766 23 L CB -0.039 41.939 42.059 -0.135 0.000 0.931 23 L HN 0.898 nan 8.230 nan 0.000 0.452 24 N N -4.353 114.235 118.700 -0.187 0.000 3.277 24 N HA 0.013 4.754 4.740 0.002 0.000 0.278 24 N C -0.070 175.383 175.510 -0.096 0.000 1.544 24 N CA -0.540 52.440 53.050 -0.117 0.000 0.869 24 N CB 0.238 38.687 38.487 -0.063 0.000 1.584 24 N HN -0.252 nan 8.380 nan 0.000 0.564 25 D N -0.621 119.754 120.400 -0.043 0.000 2.322 25 D HA -0.160 4.481 4.640 0.002 0.000 0.210 25 D C -0.202 176.116 176.300 0.030 0.000 0.983 25 D CA 1.268 55.267 54.000 -0.002 0.000 0.902 25 D CB 0.222 41.026 40.800 0.007 0.000 0.905 25 D HN 0.504 nan 8.370 nan 0.000 0.483 29 E N 2.369 122.664 120.200 0.159 0.000 2.146 29 E HA 0.643 4.994 4.350 0.002 0.000 0.282 29 E C -1.820 174.826 176.600 0.076 0.000 0.989 29 E CA -0.390 56.037 56.400 0.045 0.000 0.799 29 E CB 1.381 31.078 29.700 -0.005 0.000 1.088 29 E HN 0.429 nan 8.360 nan 0.000 0.397 30 V N 4.118 123.997 119.914 -0.060 0.000 2.448 30 V HA 0.339 4.460 4.120 0.002 0.000 0.295 30 V C -0.130 175.738 176.094 -0.376 0.000 1.025 30 V CA -0.749 61.458 62.300 -0.155 0.000 0.859 30 V CB 1.778 33.465 31.823 -0.227 0.000 0.988 30 V HN 0.705 nan 8.190 nan 0.000 0.431 31 T N 5.288 119.577 114.554 -0.441 0.000 2.797 31 T HA 0.717 5.068 4.350 0.002 0.000 0.279 31 T C -0.720 173.503 174.700 -0.795 0.000 0.991 31 T CA -0.126 61.602 62.100 -0.620 0.000 0.979 31 T CB 0.865 69.282 68.868 -0.751 0.000 0.943 31 T HN 0.300 nan 8.240 nan 0.000 0.444 32 F N 1.447 121.195 119.950 -0.338 0.000 2.458 32 F HA 0.608 5.137 4.527 0.002 0.000 0.330 32 F C -0.199 175.493 175.800 -0.180 0.000 1.082 32 F CA -1.052 56.951 58.000 0.005 0.000 0.995 32 F CB 1.466 40.676 39.000 0.350 0.000 1.170 32 F HN 0.355 nan 8.300 nan 0.000 0.478 33 W N 2.296 123.968 121.300 0.619 0.000 2.683 33 W HA 0.224 4.885 4.660 0.002 0.000 0.329 33 W C -1.563 175.373 176.519 0.695 0.000 1.037 33 W CA -1.320 56.400 57.345 0.625 0.000 1.232 33 W CB 1.959 31.772 29.460 0.589 0.000 1.390 33 W HN 0.578 nan 8.180 nan 0.000 0.465 34 W N 4.813 126.465 121.300 0.586 0.000 2.702 34 W HA 0.507 5.168 4.660 0.002 0.000 0.331 34 W C -0.659 176.064 176.519 0.339 0.000 1.049 34 W CA -1.264 56.257 57.345 0.293 0.000 1.230 34 W CB 1.138 30.492 29.460 -0.176 0.000 1.408 34 W HN 0.187 nan 8.180 nan 0.000 0.492 35 R N 4.600 124.568 120.500 -0.886 0.000 2.198 35 R HA 0.096 4.438 4.340 0.002 0.000 0.339 35 R C -0.533 174.898 176.300 -1.448 0.000 1.020 35 R CA -0.477 54.938 56.100 -1.143 0.000 0.864 35 R CB 0.568 29.849 30.300 -1.697 0.000 1.105 35 R HN 0.441 nan 8.270 nan 0.000 0.463 36 D N 5.602 125.403 120.400 -0.999 0.000 2.401 36 D HA 0.046 4.688 4.640 0.002 0.000 0.254 36 D C -1.680 174.335 176.300 -0.474 0.000 1.192 36 D CA -1.903 51.541 54.000 -0.927 0.000 0.885 36 D CB 1.681 42.422 40.800 -0.098 0.000 1.147 36 D HN 0.325 nan 8.370 nan 0.000 0.478 37 P HA -0.045 nan 4.420 nan 0.000 0.231 37 P C 0.279 177.535 177.300 -0.072 0.000 1.158 37 P CA 0.875 63.871 63.100 -0.174 0.000 0.763 37 P CB 0.313 31.973 31.700 -0.067 0.000 0.805 38 Q N -1.592 118.194 119.800 -0.023 0.000 2.155 38 Q HA 0.350 4.692 4.340 0.002 0.000 0.220 38 Q C 1.014 177.070 176.000 0.093 0.000 0.819 38 Q CA 0.101 55.934 55.803 0.050 0.000 1.032 38 Q CB 0.520 29.321 28.738 0.104 0.000 1.151 38 Q HN 0.098 nan 8.270 nan 0.000 0.487 39 G N 0.998 109.831 108.800 0.055 0.000 2.509 39 G HA2 -0.345 3.616 3.960 0.002 0.000 0.259 39 G HA3 -0.345 3.616 3.960 0.002 0.000 0.259 39 G C 0.103 175.093 174.900 0.149 0.000 1.169 39 G CA -0.075 45.082 45.100 0.094 0.000 0.953 39 G HN 0.557 nan 8.290 nan 0.000 0.563 40 S N 0.453 116.259 115.700 0.178 0.000 2.671 40 S HA 0.552 5.024 4.470 0.002 0.000 0.272 40 S C 1.495 176.160 174.600 0.109 0.000 1.174 40 S CA 0.816 59.087 58.200 0.120 0.000 1.004 40 S CB 1.539 64.790 63.200 0.084 0.000 1.077 40 S HN 1.318 nan 8.310 nan 0.000 0.553 41 E N 0.523 120.744 120.200 0.035 0.000 2.268 41 E HA -0.193 4.159 4.350 0.002 0.000 0.195 41 E C 1.288 177.862 176.600 -0.044 0.000 0.995 41 E CA 1.115 57.530 56.400 0.023 0.000 0.836 41 E CB -0.703 28.987 29.700 -0.016 0.000 0.763 41 E HN 0.843 nan 8.360 nan 0.000 0.491 42 E N 0.205 120.318 120.200 -0.145 0.000 2.049 42 E HA -0.192 4.159 4.350 0.002 0.000 0.198 42 E C 1.245 177.584 176.600 -0.435 0.000 1.007 42 E CA 1.810 57.965 56.400 -0.407 0.000 0.809 42 E CB -0.298 28.956 29.700 -0.742 0.000 0.749 42 E HN 0.422 nan 8.360 nan 0.000 0.450 43 Y N -0.407 119.915 120.300 0.036 0.000 2.442 43 Y HA 0.249 4.801 4.550 0.002 0.000 0.250 43 Y C 0.893 176.824 175.900 0.053 0.000 1.113 43 Y CA -0.230 57.892 58.100 0.037 0.000 1.273 43 Y CB 0.815 39.292 38.460 0.029 0.000 1.138 43 Y HN -0.164 nan 8.280 nan 0.000 0.522 44 S N 0.357 116.173 115.700 0.194 0.000 2.525 44 S HA 0.147 4.619 4.470 0.002 0.000 0.278 44 S C 1.291 175.979 174.600 0.145 0.000 1.234 44 S CA -0.071 58.237 58.200 0.180 0.000 1.058 44 S CB 0.783 64.119 63.200 0.227 0.000 0.983 44 S HN 0.427 nan 8.310 nan 0.000 0.495 45 T N 2.723 117.353 114.554 0.128 0.000 3.055 45 T HA 0.181 4.532 4.350 0.002 0.000 0.265 45 T C 0.871 175.631 174.700 0.100 0.000 1.111 45 T CA 0.130 62.288 62.100 0.096 0.000 1.118 45 T CB -0.274 68.638 68.868 0.073 0.000 0.909 45 T HN 0.547 nan 8.240 nan 0.000 0.501 46 I N 2.530 123.181 120.570 0.135 0.000 2.505 46 I HA 0.232 4.403 4.170 0.002 0.000 0.287 46 I C 1.000 177.215 176.117 0.164 0.000 1.104 46 I CA 0.038 61.396 61.300 0.097 0.000 1.387 46 I CB 1.090 39.139 38.000 0.082 0.000 1.404 46 I HN 0.061 nan 8.210 nan 0.000 0.528 47 K N 5.276 125.725 120.400 0.082 0.000 2.121 47 K HA 0.171 4.492 4.320 0.002 0.000 0.203 47 K C 0.591 177.255 176.600 0.107 0.000 1.041 47 K CA 0.988 57.357 56.287 0.136 0.000 0.969 47 K CB 0.272 32.820 32.500 0.079 0.000 0.799 47 K HN 0.346 nan 8.250 nan 0.000 0.456 48 R N 0.330 120.741 120.500 -0.147 0.000 2.664 48 R HA 0.448 4.789 4.340 0.002 0.000 0.286 48 R C -1.021 174.820 176.300 -0.765 0.000 0.967 48 R CA -0.775 55.048 56.100 -0.461 0.000 0.933 48 R CB 1.916 31.904 30.300 -0.520 0.000 1.146 48 R HN -0.181 nan 8.270 nan 0.000 0.468 49 V N 3.127 122.458 119.914 -0.971 0.000 2.349 49 V HA 0.310 4.431 4.120 0.002 0.000 0.284 49 V C -0.847 174.816 176.094 -0.718 0.000 1.014 49 V CA -0.930 60.823 62.300 -0.912 0.000 0.826 49 V CB 1.067 32.206 31.823 -1.140 0.000 1.009 49 V HN 0.610 nan 8.190 nan 0.000 0.431 50 W N 3.481 124.634 121.300 -0.244 0.000 2.316 50 W HA 0.619 5.280 4.660 0.002 0.000 0.321 50 W C -0.154 176.302 176.519 -0.105 0.000 1.203 50 W CA -0.667 56.613 57.345 -0.108 0.000 1.214 50 W CB 1.302 30.842 29.460 0.133 0.000 1.169 50 W HN 0.292 nan 8.180 nan 0.000 0.561 51 V N 3.902 123.806 119.914 -0.017 0.000 2.370 51 V HA 0.171 4.293 4.120 0.002 0.000 0.279 51 V C -1.113 174.941 176.094 -0.066 0.000 1.029 51 V CA -1.040 61.194 62.300 -0.109 0.000 0.870 51 V CB 0.470 31.960 31.823 -0.555 0.000 0.984 51 V HN 0.388 nan 8.190 nan 0.000 0.451 52 Y N 6.100 126.300 120.300 -0.167 0.000 2.345 52 Y HA 0.659 5.210 4.550 0.002 0.000 0.331 52 Y C -0.327 175.441 175.900 -0.220 0.000 0.959 52 Y CA -0.741 57.163 58.100 -0.327 0.000 1.204 52 Y CB 1.166 39.352 38.460 -0.458 0.000 1.135 52 Y HN 0.562 nan 8.280 nan 0.000 0.477 53 I N 5.771 126.065 120.570 -0.461 0.000 2.355 53 I HA 0.211 4.383 4.170 0.002 0.000 0.288 53 I C 0.062 176.005 176.117 -0.291 0.000 0.999 53 I CA -0.745 60.435 61.300 -0.200 0.000 1.163 53 I CB 1.710 39.638 38.000 -0.120 0.000 1.316 53 I HN 0.529 nan 8.210 nan 0.000 0.454 54 T N 5.198 119.685 114.554 -0.111 0.000 2.871 54 T HA 0.187 4.538 4.350 0.002 0.000 0.296 54 T C 1.202 175.937 174.700 0.058 0.000 0.998 54 T CA 1.342 63.389 62.100 -0.088 0.000 1.162 54 T CB 0.665 69.522 68.868 -0.019 0.000 0.947 54 T HN 1.102 nan 8.240 nan 0.000 0.536 55 G N 2.408 111.194 108.800 -0.023 0.000 2.363 55 G HA2 -0.297 3.665 3.960 0.002 0.000 0.238 55 G HA3 -0.297 3.665 3.960 0.002 0.000 0.238 55 G C 0.893 175.829 174.900 0.059 0.000 1.062 55 G CA 0.346 45.485 45.100 0.064 0.000 0.629 55 G HN 0.624 nan 8.290 nan 0.000 0.514 56 V N -0.563 119.357 119.914 0.011 0.000 3.013 56 V HA 0.221 4.342 4.120 0.002 0.000 0.238 56 V C 2.419 178.431 176.094 -0.137 0.000 1.161 56 V CA 2.492 64.755 62.300 -0.061 0.000 1.170 56 V CB 0.619 32.340 31.823 -0.169 0.000 0.917 56 V HN 0.400 nan 8.190 nan 0.000 0.478 57 T N -0.648 113.742 114.554 -0.274 0.000 3.087 57 T HA 0.090 4.441 4.350 0.002 0.000 0.237 57 T C 0.437 174.823 174.700 -0.523 0.000 0.990 57 T CA 0.503 62.391 62.100 -0.353 0.000 1.160 57 T CB -0.081 68.529 68.868 -0.430 0.000 0.923 57 T HN 0.702 nan 8.240 nan 0.000 0.442 66 Q N 0.221 120.134 119.800 0.190 0.000 2.375 66 Q HA 0.774 5.115 4.340 0.002 0.000 0.271 66 Q C -0.252 175.652 176.000 -0.160 0.000 1.074 66 Q CA -0.557 55.311 55.803 0.109 0.000 0.808 66 Q CB 2.658 31.465 28.738 0.115 0.000 1.327 66 Q HN 0.512 nan 8.270 nan 0.000 0.441 70 R N 4.151 124.093 120.500 -0.929 0.000 2.267 70 R HA 0.354 4.695 4.340 0.002 0.000 0.319 70 R C -0.513 175.501 176.300 -0.477 0.000 1.067 70 R CA -0.277 55.177 56.100 -1.076 0.000 0.936 70 R CB 0.287 29.678 30.300 -1.515 0.000 1.006 70 R HN 0.756 nan 8.270 nan 0.000 0.452 71 I N 4.315 124.705 120.570 -0.300 0.000 2.742 71 I HA -0.112 4.059 4.170 0.002 0.000 0.287 71 I C 0.886 176.877 176.117 -0.211 0.000 1.186 71 I CA 0.358 61.538 61.300 -0.200 0.000 1.417 71 I CB 0.593 38.494 38.000 -0.166 0.000 1.377 71 I HN 0.713 nan 8.210 nan 0.000 0.556 72 A N 5.615 128.330 122.820 -0.174 0.000 2.584 72 A HA 0.316 4.638 4.320 0.002 0.000 0.239 72 A C 1.435 178.949 177.584 -0.117 0.000 1.043 72 A CA 0.474 52.423 52.037 -0.146 0.000 0.756 72 A CB -0.421 18.511 19.000 -0.113 0.000 0.963 72 A HN 1.322 nan 8.150 nan 0.000 0.511 73 G N 1.858 110.600 108.800 -0.097 0.000 2.168 73 G HA2 -0.121 3.840 3.960 0.002 0.000 0.257 73 G HA3 -0.121 3.840 3.960 0.002 0.000 0.257 73 G C 0.482 175.359 174.900 -0.038 0.000 0.997 73 G CA 1.477 46.542 45.100 -0.058 0.000 0.708 73 G HN 2.423 nan 8.290 nan 0.000 0.520 74 T N -3.377 111.144 114.554 -0.054 0.000 2.907 74 T HA 0.592 4.943 4.350 0.002 0.000 0.290 74 T C 0.626 175.349 174.700 0.039 0.000 1.066 74 T CA 0.332 62.422 62.100 -0.016 0.000 1.012 74 T CB 1.979 70.804 68.868 -0.071 0.000 1.184 74 T HN 0.182 nan 8.240 nan 0.000 0.522 75 D N -0.053 120.424 120.400 0.129 0.000 2.328 75 D HA 0.083 4.724 4.640 0.002 0.000 0.226 75 D C 0.311 176.804 176.300 0.321 0.000 1.066 75 D CA -0.200 53.903 54.000 0.170 0.000 0.861 75 D CB -0.446 40.400 40.800 0.078 0.000 0.912 75 D HN 0.340 nan 8.370 nan 0.000 0.521 76 V N 1.114 121.238 119.914 0.350 0.000 2.432 76 V HA 0.259 4.380 4.120 0.002 0.000 0.271 76 V C -0.520 175.770 176.094 0.328 0.000 1.046 76 V CA -0.680 61.955 62.300 0.559 0.000 0.945 76 V CB 0.343 32.333 31.823 0.280 0.000 0.992 76 V HN 0.049 nan 8.190 nan 0.000 0.471 77 W N 3.090 124.643 121.300 0.422 0.000 2.627 77 W HA 0.721 5.383 4.660 0.002 0.000 0.339 77 W C 0.053 176.767 176.519 0.325 0.000 1.058 77 W CA -0.389 57.147 57.345 0.318 0.000 1.223 77 W CB 1.368 31.037 29.460 0.347 0.000 1.389 77 W HN 0.464 nan 8.180 nan 0.000 0.541 78 Q N 1.484 121.515 119.800 0.385 0.000 2.416 78 Q HA 0.495 4.836 4.340 0.002 0.000 0.281 78 Q C -2.124 174.014 176.000 0.230 0.000 1.067 78 Q CA -0.787 55.103 55.803 0.145 0.000 0.809 78 Q CB 2.768 31.537 28.738 0.051 0.000 1.418 78 Q HN 0.613 nan 8.270 nan 0.000 0.411 79 W N 1.328 122.577 121.300 -0.084 0.000 3.479 79 W HA 0.512 5.174 4.660 0.002 0.000 0.304 79 W C -1.809 174.728 176.519 0.031 0.000 1.243 79 W CA -0.032 57.319 57.345 0.010 0.000 1.202 79 W CB 1.932 31.427 29.460 0.058 0.000 1.346 79 W HN 0.496 nan 8.180 nan 0.000 0.539 80 T N 3.874 117.928 114.554 -0.833 0.000 2.861 80 T HA 0.710 5.061 4.350 0.002 0.000 0.287 80 T C -0.888 173.147 174.700 -1.108 0.000 1.003 80 T CA -0.418 61.238 62.100 -0.740 0.000 0.977 80 T CB 2.020 70.638 68.868 -0.416 0.000 0.996 80 T HN 0.416 nan 8.240 nan 0.000 0.448 81 T N 1.480 115.576 114.554 -0.763 0.000 2.671 81 T HA 0.483 4.834 4.350 0.002 0.000 0.300 81 T C -1.903 172.626 174.700 -0.284 0.000 1.238 81 T CA -0.615 61.115 62.100 -0.616 0.000 1.020 81 T CB 1.743 70.138 68.868 -0.788 0.000 1.503 81 T HN 0.540 nan 8.240 nan 0.000 0.497 82 Q N 1.392 121.079 119.800 -0.189 0.000 2.330 82 Q HA 0.692 5.033 4.340 0.002 0.000 0.269 82 Q C -1.189 174.736 176.000 -0.125 0.000 1.022 82 Q CA -0.596 55.139 55.803 -0.112 0.000 0.796 82 Q CB 2.269 30.961 28.738 -0.077 0.000 1.271 82 Q HN 0.460 nan 8.270 nan 0.000 0.450 83 L N 1.775 122.935 121.223 -0.105 0.000 2.354 83 L HA 0.453 4.794 4.340 0.002 0.000 0.264 83 L C -0.166 176.700 176.870 -0.007 0.000 1.008 83 L CA -0.963 53.766 54.840 -0.185 0.000 0.819 83 L CB 2.040 43.897 42.059 -0.337 0.000 1.339 83 L HN 0.601 nan 8.230 nan 0.000 0.420 84 N N 0.342 119.064 118.700 0.036 0.000 2.395 84 N HA 0.030 4.771 4.740 0.002 0.000 0.246 84 N C 0.782 176.387 175.510 0.159 0.000 1.246 84 N CA 0.280 53.413 53.050 0.137 0.000 0.879 84 N CB 0.975 39.568 38.487 0.175 0.000 1.098 84 N HN 0.783 nan 8.380 nan 0.000 0.444 85 A N 1.917 124.865 122.820 0.215 0.000 2.121 85 A HA -0.173 4.148 4.320 0.002 0.000 0.218 85 A C 1.365 178.945 177.584 -0.007 0.000 1.154 85 A CA 1.375 53.524 52.037 0.187 0.000 0.679 85 A CB -0.510 18.746 19.000 0.426 0.000 0.795 85 A HN 0.882 nan 8.150 nan 0.000 0.458 86 N N -2.827 115.905 118.700 0.054 0.000 2.236 86 N HA 0.045 4.787 4.740 0.002 0.000 0.196 86 N C -0.056 175.461 175.510 0.011 0.000 1.114 86 N CA -0.520 52.537 53.050 0.012 0.000 0.859 86 N CB -0.415 38.089 38.487 0.028 0.000 0.982 86 N HN 0.529 nan 8.380 nan 0.000 0.493 87 W N 2.014 123.237 121.300 -0.128 0.000 2.216 87 W HA 0.343 5.005 4.660 0.002 0.000 0.326 87 W C 0.385 176.819 176.519 -0.143 0.000 1.319 87 W CA -0.332 56.944 57.345 -0.115 0.000 1.213 87 W CB 0.577 29.979 29.460 -0.096 0.000 1.171 87 W HN -0.072 nan 8.180 nan 0.000 0.557 88 R N 3.772 123.790 120.500 -0.805 0.000 2.725 88 R HA 0.751 5.093 4.340 0.002 0.000 0.277 88 R C -0.737 174.609 176.300 -1.589 0.000 0.987 88 R CA -0.468 55.155 56.100 -0.796 0.000 0.901 88 R CB 1.753 31.780 30.300 -0.455 0.000 1.207 88 R HN 0.747 nan 8.270 nan 0.000 0.463 89 G N 0.794 108.986 108.800 -1.013 0.000 2.361 89 G HA2 0.192 4.154 3.960 0.002 0.000 0.299 89 G HA3 0.192 4.154 3.960 0.002 0.000 0.299 89 G C -1.549 173.416 174.900 0.107 0.000 1.544 89 G CA -0.512 44.189 45.100 -0.665 0.000 0.860 89 G HN 0.649 nan 8.290 nan 0.000 0.610 90 S N -0.798 115.000 115.700 0.163 0.000 2.651 90 S HA 0.919 5.390 4.470 0.002 0.000 0.291 90 S C -0.529 174.216 174.600 0.242 0.000 1.141 90 S CA -0.572 57.753 58.200 0.208 0.000 1.027 90 S CB 1.653 64.898 63.200 0.075 0.000 1.043 90 S HN 1.929 nan 8.310 nan 0.000 0.530 91 Y N -1.937 118.353 120.300 -0.018 0.000 2.615 91 Y HA 0.800 5.351 4.550 0.002 0.000 0.341 91 Y C -0.602 175.154 175.900 -0.240 0.000 1.089 91 Y CA -1.758 56.288 58.100 -0.091 0.000 1.049 91 Y CB 0.475 38.890 38.460 -0.075 0.000 1.296 91 Y HN 1.112 nan 8.280 nan 0.000 0.470 92 C N 0.173 119.344 119.300 -0.216 0.000 3.080 92 C HA 0.815 5.276 4.460 0.002 0.000 0.307 92 C C -1.021 173.860 174.990 -0.181 0.000 1.311 92 C CA -1.262 57.517 59.018 -0.398 0.000 1.533 92 C CB 0.852 28.352 27.740 -0.399 0.000 1.970 92 C HN 0.874 nan 8.230 nan 0.000 0.467 93 F N 0.754 120.614 119.950 -0.150 0.000 2.425 93 F HA 0.676 5.205 4.527 0.002 0.000 0.331 93 F C 0.418 176.063 175.800 -0.260 0.000 1.085 93 F CA -0.991 56.876 58.000 -0.221 0.000 1.028 93 F CB 1.339 40.125 39.000 -0.358 0.000 1.177 93 F HN 0.399 nan 8.300 nan 0.000 0.487 94 I N 3.926 124.494 120.570 -0.003 0.000 2.595 94 I HA 0.242 4.413 4.170 0.002 0.000 0.275 94 I C -2.712 173.294 176.117 -0.185 0.000 1.092 94 I CA -2.020 59.254 61.300 -0.043 0.000 1.145 94 I CB 0.945 39.033 38.000 0.147 0.000 1.276 94 I HN 0.164 nan 8.210 nan 0.000 0.497 95 P HA 0.220 nan 4.420 nan 0.000 0.276 95 P C -0.276 176.866 177.300 -0.264 0.000 1.235 95 P CA 0.033 62.780 63.100 -0.588 0.000 0.772 95 P CB 1.302 32.456 31.700 -0.910 0.000 0.871 96 T N 1.072 115.504 114.554 -0.203 0.000 2.894 96 T HA 0.248 4.599 4.350 0.002 0.000 0.309 96 T C 0.125 174.798 174.700 -0.044 0.000 1.208 96 T CA -0.493 61.564 62.100 -0.071 0.000 1.016 96 T CB 1.063 69.941 68.868 0.016 0.000 1.192 96 T HN 0.265 nan 8.240 nan 0.000 0.491 97 E N 1.254 121.448 120.200 -0.010 0.000 2.465 97 E HA 0.187 4.538 4.350 0.002 0.000 0.191 97 E C 0.593 177.203 176.600 0.017 0.000 1.053 97 E CA -0.056 56.352 56.400 0.014 0.000 0.869 97 E CB 0.478 30.190 29.700 0.020 0.000 0.977 97 E HN 0.172 nan 8.360 nan 0.000 0.483 98 R N 2.214 122.723 120.500 0.015 0.000 2.423 98 R HA 0.022 4.364 4.340 0.002 0.000 0.293 98 R C -0.188 176.141 176.300 0.048 0.000 1.196 98 R CA -0.126 55.982 56.100 0.013 0.000 1.262 98 R CB 0.277 30.567 30.300 -0.017 0.000 1.116 98 R HN 0.065 nan 8.270 nan 0.000 0.566 99 D N 2.019 122.451 120.400 0.053 0.000 2.325 99 D HA -0.114 4.527 4.640 0.002 0.000 0.225 99 D C 0.472 176.821 176.300 0.083 0.000 1.096 99 D CA 0.171 54.225 54.000 0.091 0.000 0.844 99 D CB 0.386 41.229 40.800 0.071 0.000 0.925 99 D HN 0.572 nan 8.370 nan 0.000 0.513 100 D N 0.037 120.454 120.400 0.029 0.000 2.346 100 D HA -0.025 4.617 4.640 0.002 0.000 0.206 100 D C 0.915 177.181 176.300 -0.057 0.000 1.001 100 D CA -0.503 53.495 54.000 -0.004 0.000 0.871 100 D CB 0.135 40.919 40.800 -0.027 0.000 0.943 100 D HN 0.257 nan 8.370 nan 0.000 0.518 101 I N 1.076 121.579 120.570 -0.111 0.000 2.556 101 I HA 0.006 4.177 4.170 0.002 0.000 0.284 101 I C -0.278 175.688 176.117 -0.252 0.000 1.114 101 I CA -0.126 60.963 61.300 -0.352 0.000 1.418 101 I CB -0.240 37.428 38.000 -0.554 0.000 1.394 101 I HN -0.141 nan 8.210 nan 0.000 0.552 102 F N 4.309 124.105 119.950 -0.257 0.000 2.905 102 F HA -0.235 4.293 4.527 0.002 0.000 0.291 102 F C 1.277 177.058 175.800 -0.033 0.000 1.002 102 F CA 0.801 58.652 58.000 -0.249 0.000 0.978 102 F CB -2.300 36.361 39.000 -0.565 0.000 1.036 102 F HN 0.520 nan 8.300 nan 0.000 0.820 103 S N -1.198 114.574 115.700 0.120 0.000 2.502 103 S HA 0.491 4.962 4.470 0.002 0.000 0.228 103 S C 1.319 175.965 174.600 0.076 0.000 1.061 103 S CA 0.352 58.613 58.200 0.102 0.000 0.935 103 S CB 0.214 63.447 63.200 0.055 0.000 0.809 103 S HN 0.659 nan 8.310 nan 0.000 0.510 104 A N 3.076 125.929 122.820 0.055 0.000 2.483 104 A HA 0.326 4.647 4.320 0.002 0.000 0.238 104 A C -0.716 176.894 177.584 0.044 0.000 1.070 104 A CA -0.908 51.153 52.037 0.040 0.000 0.770 104 A CB -0.141 18.874 19.000 0.025 0.000 1.008 104 A HN 0.263 nan 8.150 nan 0.000 0.497 105 P HA -0.059 nan 4.420 nan 0.000 0.213 105 P C 0.560 177.872 177.300 0.020 0.000 1.170 105 P CA 1.414 64.533 63.100 0.032 0.000 0.893 105 P CB 0.263 31.977 31.700 0.024 0.000 0.784 106 S N 0.280 115.986 115.700 0.009 0.000 2.383 106 S HA 0.403 4.874 4.470 0.002 0.000 0.196 106 S C -2.371 172.225 174.600 -0.007 0.000 1.364 106 S CA -1.178 57.018 58.200 -0.006 0.000 1.212 106 S CB 0.156 63.355 63.200 -0.001 0.000 1.171 106 S HN -0.045 nan 8.310 nan 0.000 0.456 107 P HA 0.429 nan 4.420 nan 0.000 0.307 107 P C -0.660 176.640 177.300 0.001 0.000 1.306 107 P CA -0.316 62.786 63.100 0.003 0.000 0.742 107 P CB 0.330 32.046 31.700 0.026 0.000 1.349 108 D N -2.451 117.954 120.400 0.009 0.000 2.440 108 D HA 0.247 4.888 4.640 0.002 0.000 0.258 108 D C 1.162 177.475 176.300 0.021 0.000 1.092 108 D CA -0.886 53.120 54.000 0.010 0.000 1.016 108 D CB 0.956 41.760 40.800 0.007 0.000 1.141 108 D HN 0.099 nan 8.370 nan 0.000 0.552 109 R N -0.230 120.283 120.500 0.021 0.000 2.200 109 R HA -0.079 4.262 4.340 0.002 0.000 0.234 109 R C 1.550 177.874 176.300 0.042 0.000 1.127 109 R CA 0.963 57.084 56.100 0.034 0.000 0.989 109 R CB -0.474 29.839 30.300 0.023 0.000 0.869 109 R HN 0.631 nan 8.270 nan 0.000 0.459 110 L N 0.001 121.239 121.223 0.025 0.000 2.162 110 L HA -0.092 4.249 4.340 0.002 0.000 0.205 110 L C 1.847 178.725 176.870 0.013 0.000 1.086 110 L CA 1.306 56.155 54.840 0.015 0.000 0.778 110 L CB -0.215 41.845 42.059 0.002 0.000 0.928 110 L HN 0.170 nan 8.230 nan 0.000 0.446 111 E N -0.619 119.590 120.200 0.015 0.000 2.479 111 E HA -0.023 4.329 4.350 0.002 0.000 0.193 111 E C 1.796 178.414 176.600 0.030 0.000 1.049 111 E CA 0.060 56.454 56.400 -0.009 0.000 0.870 111 E CB 0.063 29.750 29.700 -0.022 0.000 0.944 111 E HN 0.180 nan 8.360 nan 0.000 0.492 112 L N 0.971 122.260 121.223 0.110 0.000 2.044 112 L HA 0.017 4.358 4.340 0.002 0.000 0.205 112 L C 2.355 179.361 176.870 0.227 0.000 1.075 112 L CA 1.396 56.361 54.840 0.208 0.000 0.747 112 L CB -0.607 41.580 42.059 0.215 0.000 0.903 112 L HN -0.017 nan 8.230 nan 0.000 0.435 113 R N -0.217 120.382 120.500 0.165 0.000 2.133 113 R HA -0.239 4.102 4.340 0.002 0.000 0.245 113 R C 2.315 178.650 176.300 0.059 0.000 1.137 113 R CA 1.729 57.904 56.100 0.125 0.000 0.947 113 R CB -0.384 29.948 30.300 0.053 0.000 0.865 113 R HN 0.219 nan 8.270 nan 0.000 0.437 114 E N -1.104 119.085 120.200 -0.019 0.000 2.072 114 E HA -0.021 4.331 4.350 0.002 0.000 0.190 114 E C 1.888 178.357 176.600 -0.219 0.000 0.982 114 E CA 1.424 57.766 56.400 -0.096 0.000 0.803 114 E CB -0.507 29.131 29.700 -0.103 0.000 0.755 114 E HN 0.422 nan 8.360 nan 0.000 0.453 115 G N -0.365 108.216 108.800 -0.365 0.000 2.433 115 G HA2 -0.261 3.700 3.960 0.002 0.000 0.216 115 G HA3 -0.261 3.700 3.960 0.002 0.000 0.216 115 G C 1.305 175.802 174.900 -0.672 0.000 1.186 115 G CA 0.838 45.393 45.100 -0.908 0.000 0.779 115 G HN 0.345 nan 8.290 nan 0.000 0.543 116 W N 0.266 121.494 121.300 -0.120 0.000 2.436 116 W HA 0.166 4.828 4.660 0.002 0.000 0.284 116 W C 2.795 179.212 176.519 -0.170 0.000 1.225 116 W CA 0.329 57.609 57.345 -0.108 0.000 1.271 116 W CB 0.024 29.499 29.460 0.025 0.000 1.114 116 W HN 0.036 nan 8.180 nan 0.000 0.559 117 R N 1.275 121.813 120.500 0.064 0.000 2.083 117 R HA -0.204 4.138 4.340 0.002 0.000 0.237 117 R C 1.767 178.030 176.300 -0.061 0.000 1.137 117 R CA 1.705 57.802 56.100 -0.005 0.000 0.951 117 R CB -0.172 30.114 30.300 -0.023 0.000 0.851 117 R HN 0.050 nan 8.270 nan 0.000 0.434 118 K N 0.091 120.414 120.400 -0.128 0.000 2.062 118 K HA -0.013 4.308 4.320 0.002 0.000 0.205 118 K C 2.013 178.530 176.600 -0.138 0.000 1.051 118 K CA 0.966 57.164 56.287 -0.147 0.000 0.941 118 K CB -0.060 32.313 32.500 -0.212 0.000 0.719 118 K HN 0.151 nan 8.250 nan 0.000 0.440 119 L N 0.103 121.226 121.223 -0.168 0.000 2.095 119 L HA -0.062 4.279 4.340 0.002 0.000 0.204 119 L C 2.026 178.851 176.870 -0.075 0.000 1.080 119 L CA 0.685 55.447 54.840 -0.129 0.000 0.759 119 L CB -0.285 41.664 42.059 -0.183 0.000 0.914 119 L HN 0.146 nan 8.230 nan 0.000 0.439 120 L N 0.063 121.244 121.223 -0.071 0.000 2.129 120 L HA -0.194 4.148 4.340 0.002 0.000 0.212 120 L C -0.382 176.426 176.870 -0.104 0.000 1.087 120 L CA 1.311 56.064 54.840 -0.145 0.000 0.757 120 L CB -1.590 40.370 42.059 -0.166 0.000 0.896 120 L HN 0.241 nan 8.230 nan 0.000 0.434 121 P HA -0.179 nan 4.420 nan 0.000 0.226 121 P C 1.077 178.348 177.300 -0.049 0.000 1.146 121 P CA 1.203 64.278 63.100 -0.042 0.000 0.773 121 P CB 0.037 31.714 31.700 -0.039 0.000 0.772 122 Q N -1.394 118.367 119.800 -0.066 0.000 2.319 122 Q HA 0.264 4.606 4.340 0.002 0.000 0.202 122 Q C 0.630 176.574 176.000 -0.093 0.000 0.896 122 Q CA -0.342 55.421 55.803 -0.066 0.000 0.942 122 Q CB 0.052 28.754 28.738 -0.061 0.000 1.083 122 Q HN 0.098 nan 8.270 nan 0.000 0.510 123 A N 1.701 124.443 122.820 -0.129 0.000 2.565 123 A HA 0.279 4.600 4.320 0.002 0.000 0.237 123 A C 0.171 177.669 177.584 -0.144 0.000 1.053 123 A CA 0.267 52.188 52.037 -0.194 0.000 0.755 123 A CB -0.384 18.387 19.000 -0.381 0.000 0.980 123 A HN 0.488 nan 8.150 nan 0.000 0.506 124 I N -1.271 119.209 120.570 -0.151 0.000 3.042 124 I HA 0.846 5.017 4.170 0.002 0.000 0.310 124 I C 0.105 176.103 176.117 -0.198 0.000 1.117 124 I CA -1.211 60.018 61.300 -0.119 0.000 1.003 124 I CB 2.122 40.099 38.000 -0.038 0.000 1.228 124 I HN 0.686 nan 8.210 nan 0.000 0.443 125 A N 1.833 124.535 122.820 -0.197 0.000 2.322 125 A HA 0.283 4.604 4.320 0.002 0.000 0.269 125 A C -0.292 177.178 177.584 -0.189 0.000 1.094 125 A CA -0.257 51.594 52.037 -0.311 0.000 0.807 125 A CB 0.318 19.143 19.000 -0.291 0.000 1.047 125 A HN 0.822 nan 8.150 nan 0.000 0.487 126 D N 1.618 121.830 120.400 -0.313 0.000 2.368 126 D HA 0.139 4.780 4.640 0.002 0.000 0.268 126 D C -1.672 174.735 176.300 0.178 0.000 1.298 126 D CA -1.324 52.705 54.000 0.049 0.000 0.938 126 D CB 0.742 41.631 40.800 0.147 0.000 1.101 126 D HN 0.107 nan 8.370 nan 0.000 0.509 127 P HA -0.005 nan 4.420 nan 0.000 0.239 127 P C 0.978 178.389 177.300 0.186 0.000 1.184 127 P CA 0.642 63.858 63.100 0.192 0.000 0.760 127 P CB 0.239 32.056 31.700 0.194 0.000 0.884 128 L N -2.562 118.819 121.223 0.262 0.000 2.556 128 L HA 0.177 4.518 4.340 0.002 0.000 0.226 128 L C 0.851 177.880 176.870 0.265 0.000 1.089 128 L CA -0.001 54.993 54.840 0.256 0.000 0.864 128 L CB -0.127 42.123 42.059 0.317 0.000 1.067 128 L HN -0.125 nan 8.230 nan 0.000 0.477 129 N N 1.080 119.936 118.700 0.259 0.000 2.437 129 N HA 0.142 4.883 4.740 0.002 0.000 0.243 129 N C -1.876 173.738 175.510 0.173 0.000 1.041 129 N CA -1.816 51.382 53.050 0.246 0.000 0.940 129 N CB 1.519 40.170 38.487 0.274 0.000 1.133 129 N HN -0.143 nan 8.380 nan 0.000 0.506 130 P HA -0.079 nan 4.420 nan 0.000 0.222 130 P C -0.039 177.345 177.300 0.141 0.000 1.147 130 P CA 1.007 64.187 63.100 0.135 0.000 0.790 130 P CB 0.298 32.069 31.700 0.119 0.000 0.780 131 Q N 0.313 120.216 119.800 0.172 0.000 3.181 131 Q HA 0.219 4.560 4.340 0.002 0.000 0.293 131 Q C -0.420 175.726 176.000 0.243 0.000 1.406 131 Q CA 0.251 56.185 55.803 0.218 0.000 1.026 131 Q CB -0.130 28.750 28.738 0.236 0.000 1.630 131 Q HN 0.182 nan 8.270 nan 0.000 0.553 132 S N 0.956 116.765 115.700 0.182 0.000 2.634 132 S HA 0.775 5.246 4.470 0.002 0.000 0.296 132 S C -1.014 173.702 174.600 0.192 0.000 1.104 132 S CA -0.815 57.401 58.200 0.027 0.000 0.920 132 S CB 1.315 64.446 63.200 -0.114 0.000 1.111 132 S HN 0.532 nan 8.310 nan 0.000 0.493 133 W N 0.199 121.432 121.300 -0.113 0.000 3.146 133 W HA 0.568 5.229 4.660 0.002 0.000 0.319 133 W C -1.447 174.997 176.519 -0.125 0.000 1.258 133 W CA -0.926 56.334 57.345 -0.143 0.000 1.189 133 W CB 0.755 30.081 29.460 -0.222 0.000 1.412 133 W HN 0.551 nan 8.180 nan 0.000 0.567 134 K N 2.418 122.834 120.400 0.028 0.000 2.278 134 K HA 0.409 4.731 4.320 0.002 0.000 0.289 134 K C 0.300 176.964 176.600 0.106 0.000 1.080 134 K CA 0.217 56.491 56.287 -0.022 0.000 0.934 134 K CB -0.088 32.409 32.500 -0.006 0.000 1.093 134 K HN 0.795 nan 8.250 nan 0.000 0.459 135 G N 2.060 110.866 108.800 0.011 0.000 2.528 135 G HA2 0.250 4.212 3.960 0.002 0.000 0.289 135 G HA3 0.250 4.212 3.960 0.002 0.000 0.289 135 G C 0.898 175.868 174.900 0.117 0.000 1.192 135 G CA -0.426 44.819 45.100 0.241 0.000 0.921 135 G HN 0.698 nan 8.290 nan 0.000 0.512 136 G N -0.749 108.142 108.800 0.151 0.000 2.448 136 G HA2 -0.064 3.897 3.960 0.002 0.000 0.218 136 G HA3 -0.064 3.897 3.960 0.002 0.000 0.218 136 G C 1.237 176.095 174.900 -0.070 0.000 1.135 136 G CA 0.233 45.352 45.100 0.032 0.000 0.784 136 G HN 0.404 nan 8.290 nan 0.000 0.543 137 L N 0.677 121.793 121.223 -0.179 0.000 2.783 137 L HA 0.433 4.774 4.340 0.002 0.000 0.236 137 L C 1.705 178.393 176.870 -0.304 0.000 1.225 137 L CA 0.912 55.617 54.840 -0.225 0.000 1.026 137 L CB 0.154 42.071 42.059 -0.237 0.000 1.314 137 L HN 0.294 nan 8.230 nan 0.000 0.489 138 G N -1.077 107.584 108.800 -0.230 0.000 2.241 138 G HA2 -0.281 3.681 3.960 0.002 0.000 0.244 138 G HA3 -0.281 3.681 3.960 0.002 0.000 0.244 138 G C 0.374 175.197 174.900 -0.127 0.000 0.998 138 G CA 0.379 45.391 45.100 -0.147 0.000 0.621 138 G HN 0.627 nan 8.290 nan 0.000 0.519 139 H N -0.290 118.725 119.070 -0.091 0.000 2.621 139 H HA 0.832 5.389 4.556 0.002 0.000 0.360 139 H C 0.289 175.506 175.328 -0.184 0.000 1.163 139 H CA -0.512 55.455 56.048 -0.135 0.000 1.194 139 H CB 1.717 31.377 29.762 -0.171 0.000 1.649 139 H HN 0.657 nan 8.280 nan 0.000 0.532 140 A N 1.657 124.455 122.820 -0.038 0.000 2.351 140 A HA 0.519 4.840 4.320 0.002 0.000 0.257 140 A C 0.306 177.695 177.584 -0.324 0.000 1.087 140 A CA 0.019 51.929 52.037 -0.211 0.000 0.798 140 A CB 0.358 19.244 19.000 -0.189 0.000 1.033 140 A HN 0.756 nan 8.150 nan 0.000 0.488 141 V N -1.456 118.049 119.914 -0.682 0.000 3.114 141 V HA 0.860 4.981 4.120 0.002 0.000 0.308 141 V C -0.255 175.150 176.094 -1.149 0.000 1.168 141 V CA -0.588 61.194 62.300 -0.864 0.000 1.015 141 V CB 1.531 32.869 31.823 -0.808 0.000 1.050 141 V HN 0.844 nan 8.190 nan 0.000 0.433 142 S N 0.844 115.930 115.700 -1.023 0.000 2.568 142 S HA 0.914 5.385 4.470 0.002 0.000 0.302 142 S C 0.014 174.368 174.600 -0.411 0.000 1.082 142 S CA -0.098 57.647 58.200 -0.758 0.000 1.009 142 S CB 1.720 64.405 63.200 -0.858 0.000 1.069 142 S HN 1.573 nan 8.310 nan 0.000 0.500 143 A N 2.127 125.013 122.820 0.110 0.000 2.304 143 A HA 0.771 5.092 4.320 0.002 0.000 0.301 143 A C -0.902 176.947 177.584 0.442 0.000 1.132 143 A CA -0.505 51.737 52.037 0.342 0.000 0.819 143 A CB 0.322 19.551 19.000 0.381 0.000 1.094 143 A HN 0.782 nan 8.150 nan 0.000 0.492 144 L N 2.378 123.847 121.223 0.410 0.000 2.457 144 L HA 0.407 4.748 4.340 0.002 0.000 0.266 144 L C -0.677 176.302 176.870 0.183 0.000 0.979 144 L CA -0.037 55.030 54.840 0.378 0.000 0.857 144 L CB 1.371 43.765 42.059 0.560 0.000 1.213 144 L HN 1.000 nan 8.230 nan 0.000 0.418 148 Q N 0.571 120.289 119.800 -0.137 0.000 2.201 148 Q HA 0.603 4.944 4.340 0.002 0.000 0.236 148 Q C 0.094 176.060 176.000 -0.057 0.000 0.857 148 Q CA -0.205 55.573 55.803 -0.041 0.000 1.025 148 Q CB 1.017 29.771 28.738 0.026 0.000 1.124 148 Q HN 0.303 nan 8.270 nan 0.000 0.473 149 A N 1.946 124.707 122.820 -0.100 0.000 2.331 149 A HA 0.477 4.799 4.320 0.002 0.000 0.283 149 A C -2.233 175.305 177.584 -0.077 0.000 1.142 149 A CA -1.325 50.650 52.037 -0.102 0.000 0.812 149 A CB 0.056 18.967 19.000 -0.148 0.000 1.074 149 A HN 0.049 nan 8.150 nan 0.000 0.497 150 P HA 0.164 nan 4.420 nan 0.000 0.264 150 P C -0.675 176.598 177.300 -0.045 0.000 1.193 150 P CA 0.216 63.286 63.100 -0.050 0.000 0.763 150 P CB 0.170 31.836 31.700 -0.057 0.000 0.810 151 L N 3.209 124.421 121.223 -0.019 0.000 2.499 151 L HA 0.064 4.405 4.340 0.002 0.000 0.273 151 L C 0.901 177.780 176.870 0.015 0.000 1.195 151 L CA 0.073 54.914 54.840 0.002 0.000 0.882 151 L CB -0.438 41.630 42.059 0.014 0.000 1.133 151 L HN 0.327 nan 8.230 nan 0.000 0.483 152 Q N 4.188 124.016 119.800 0.046 0.000 2.274 152 Q HA 0.361 4.703 4.340 0.002 0.000 0.256 152 Q C -2.330 173.784 176.000 0.189 0.000 0.927 152 Q CA -2.277 53.594 55.803 0.112 0.000 0.939 152 Q CB 0.642 29.443 28.738 0.106 0.000 1.201 152 Q HN 0.360 nan 8.270 nan 0.000 0.426 153 P HA -0.134 nan 4.420 nan 0.000 0.260 153 P C 0.817 178.121 177.300 0.007 0.000 1.172 153 P CA 1.471 64.603 63.100 0.053 0.000 0.760 153 P CB 0.400 32.107 31.700 0.012 0.000 0.773 154 G N 1.828 110.597 108.800 -0.051 0.000 2.383 154 G HA2 -0.294 3.667 3.960 0.002 0.000 0.229 154 G HA3 -0.294 3.667 3.960 0.002 0.000 0.229 154 G C 0.918 175.711 174.900 -0.179 0.000 1.089 154 G CA 0.033 45.017 45.100 -0.192 0.000 0.640 154 G HN 0.487 nan 8.290 nan 0.000 0.510 155 W N 2.309 123.582 121.300 -0.044 0.000 2.518 155 W HA 0.222 4.883 4.660 0.002 0.000 0.273 155 W C 2.316 178.818 176.519 -0.030 0.000 1.247 155 W CA 1.112 58.427 57.345 -0.050 0.000 1.288 155 W CB 0.170 29.592 29.460 -0.064 0.000 1.107 155 W HN 0.502 nan 8.180 nan 0.000 0.586 156 D N -0.422 120.085 120.400 0.178 0.000 2.339 156 D HA -0.028 4.613 4.640 0.002 0.000 0.217 156 D C 0.584 176.927 176.300 0.072 0.000 1.050 156 D CA 0.293 54.361 54.000 0.114 0.000 0.856 156 D CB -0.600 40.252 40.800 0.087 0.000 0.922 156 D HN 0.240 nan 8.370 nan 0.000 0.518 157 C N -0.709 118.620 119.300 0.048 0.000 3.421 157 C HA 0.472 4.933 4.460 0.002 0.000 0.194 157 C C -3.009 171.984 174.990 0.004 0.000 1.418 157 C CA -2.123 56.913 59.018 0.030 0.000 1.226 157 C CB -0.667 27.091 27.740 0.029 0.000 1.875 157 C HN -0.160 nan 8.230 nan 0.000 0.561 158 P HA 0.270 nan 4.420 nan 0.000 0.266 158 P C -0.423 176.870 177.300 -0.011 0.000 1.195 158 P CA 0.953 64.030 63.100 -0.038 0.000 0.768 158 P CB 0.521 32.211 31.700 -0.018 0.000 0.838 159 Q N 1.638 121.429 119.800 -0.015 0.000 2.339 159 Q HA 0.578 4.919 4.340 0.002 0.000 0.268 159 Q C -0.787 175.216 176.000 0.005 0.000 1.027 159 Q CA -0.598 55.203 55.803 -0.003 0.000 0.759 159 Q CB 1.110 29.847 28.738 -0.001 0.000 1.244 159 Q HN 0.548 nan 8.270 nan 0.000 0.464 160 A N 5.369 128.193 122.820 0.006 0.000 2.580 160 A HA 0.215 4.536 4.320 0.002 0.000 0.244 160 A C -2.063 175.538 177.584 0.028 0.000 1.045 160 A CA -0.560 51.490 52.037 0.022 0.000 0.761 160 A CB -0.538 18.469 19.000 0.012 0.000 0.962 160 A HN 0.537 nan 8.150 nan 0.000 0.512 161 P HA 0.104 nan 4.420 nan 0.000 0.267 161 P C 0.413 177.744 177.300 0.052 0.000 1.200 161 P CA 0.006 63.182 63.100 0.126 0.000 0.772 161 P CB 0.580 32.424 31.700 0.240 0.000 0.855 162 E N 1.580 121.792 120.200 0.020 0.000 2.021 162 E HA -0.034 4.317 4.350 0.002 0.000 0.189 162 E C 0.092 176.687 176.600 -0.009 0.000 0.980 162 E CA 0.932 57.324 56.400 -0.012 0.000 0.803 162 E CB -0.218 29.461 29.700 -0.035 0.000 0.766 162 E HN 0.343 nan 8.360 nan 0.000 0.449 163 I N 2.135 122.691 120.570 -0.023 0.000 2.339 163 I HA 0.242 4.413 4.170 0.002 0.000 0.290 163 I C -2.446 173.686 176.117 0.026 0.000 0.994 163 I CA -2.804 58.477 61.300 -0.031 0.000 1.191 163 I CB 0.960 38.908 38.000 -0.087 0.000 1.343 163 I HN -0.158 nan 8.210 nan 0.000 0.458 164 P HA 0.254 nan 4.420 nan 0.000 0.271 164 P C -0.387 176.921 177.300 0.012 0.000 1.216 164 P CA -0.468 62.635 63.100 0.005 0.000 0.776 164 P CB 0.602 32.263 31.700 -0.065 0.000 0.881 165 A N 2.630 125.399 122.820 -0.085 0.000 2.531 165 A HA 0.114 4.435 4.320 0.002 0.000 0.236 165 A C 0.509 178.070 177.584 -0.039 0.000 1.062 165 A CA 0.191 52.202 52.037 -0.044 0.000 0.760 165 A CB -0.377 18.075 19.000 -0.913 0.000 0.995 165 A HN 0.493 nan 8.150 nan 0.000 0.501 166 K N 1.277 121.712 120.400 0.058 0.000 2.249 166 K HA 0.286 4.607 4.320 0.002 0.000 0.280 166 K C -0.080 176.553 176.600 0.055 0.000 1.033 166 K CA 0.050 56.363 56.287 0.043 0.000 0.946 166 K CB 0.624 33.140 32.500 0.026 0.000 1.005 166 K HN 0.722 nan 8.250 nan 0.000 0.469 167 E N 6.260 126.453 120.200 -0.011 0.000 2.129 167 E HA 0.230 4.581 4.350 0.002 0.000 0.268 167 E C -0.487 176.014 176.600 -0.166 0.000 0.900 167 E CA -0.812 55.467 56.400 -0.202 0.000 0.755 167 E CB 0.639 30.209 29.700 -0.217 0.000 1.117 167 E HN 0.653 nan 8.360 nan 0.000 0.410 168 I N 2.137 122.593 120.570 -0.190 0.000 3.133 168 I HA 0.552 4.724 4.170 0.002 0.000 0.311 168 I C -0.851 175.190 176.117 -0.127 0.000 1.072 168 I CA -1.190 60.043 61.300 -0.112 0.000 1.015 168 I CB 1.573 39.537 38.000 -0.060 0.000 1.233 168 I HN 0.548 nan 8.210 nan 0.000 0.473 169 I N 1.899 122.439 120.570 -0.050 0.000 2.441 169 I HA 0.235 4.406 4.170 0.002 0.000 0.295 169 I C -1.498 174.685 176.117 0.110 0.000 0.994 169 I CA -0.430 60.863 61.300 -0.012 0.000 1.144 169 I CB 2.171 40.156 38.000 -0.024 0.000 1.314 169 I HN 0.636 nan 8.210 nan 0.000 0.445 170 W N 8.056 129.297 121.300 -0.099 0.000 2.299 170 W HA 0.349 5.011 4.660 0.003 0.000 0.319 170 W C -0.416 176.064 176.519 -0.066 0.000 1.008 170 W CA -1.571 55.727 57.345 -0.077 0.000 1.384 170 W CB 0.633 30.044 29.460 -0.081 0.000 1.220 170 W HN 0.315 nan 8.180 nan 0.000 0.402 171 K N 4.718 125.143 120.400 0.042 0.000 2.310 171 K HA 0.280 4.601 4.320 0.002 0.000 0.290 171 K C -0.165 176.310 176.600 -0.209 0.000 1.077 171 K CA 0.022 56.236 56.287 -0.122 0.000 0.922 171 K CB 0.593 33.077 32.500 -0.028 0.000 1.057 171 K HN 0.287 nan 8.250 nan 0.000 0.479 172 S N 3.146 118.559 115.700 -0.479 0.000 2.457 172 S HA 0.055 4.526 4.470 0.002 0.000 0.289 172 S C 0.817 175.305 174.600 -0.186 0.000 1.163 172 S CA -0.563 57.365 58.200 -0.455 0.000 1.078 172 S CB 1.422 64.097 63.200 -0.876 0.000 0.987 172 S HN 0.843 nan 8.310 nan 0.000 0.482 173 E N 3.853 124.017 120.200 -0.059 0.000 2.076 173 E HA -0.050 4.301 4.350 0.002 0.000 0.190 173 E C 2.043 178.624 176.600 -0.032 0.000 0.979 173 E CA 0.442 56.825 56.400 -0.028 0.000 0.807 173 E CB -0.018 29.690 29.700 0.012 0.000 0.761 173 E HN 0.751 nan 8.360 nan 0.000 0.454 174 R N -0.159 120.327 120.500 -0.022 0.000 2.092 174 R HA -0.084 4.257 4.340 0.002 0.000 0.231 174 R C 1.701 177.974 176.300 -0.045 0.000 1.119 174 R CA 0.893 56.984 56.100 -0.013 0.000 0.970 174 R CB 0.089 30.398 30.300 0.015 0.000 0.864 174 R HN 0.171 nan 8.270 nan 0.000 0.440 175 L N 0.880 122.036 121.223 -0.112 0.000 2.554 175 L HA 0.178 4.519 4.340 0.002 0.000 0.225 175 L C 0.389 177.189 176.870 -0.117 0.000 1.104 175 L CA 0.879 55.641 54.840 -0.131 0.000 0.866 175 L CB -0.124 41.789 42.059 -0.243 0.000 1.047 175 L HN 0.093 nan 8.230 nan 0.000 0.468 176 K N 1.434 121.762 120.400 -0.120 0.000 3.071 176 K HA -0.241 4.080 4.320 0.002 0.000 0.262 176 K C -0.517 176.031 176.600 -0.086 0.000 0.977 176 K CA 0.810 57.045 56.287 -0.087 0.000 0.721 176 K CB -1.555 30.916 32.500 -0.048 0.000 1.293 176 K HN 0.701 nan 8.250 nan 0.000 0.475 177 N N -2.525 116.084 118.700 -0.152 0.000 2.825 177 N HA 0.450 5.192 4.740 0.002 0.000 0.253 177 N C -1.285 174.081 175.510 -0.240 0.000 1.426 177 N CA -0.971 51.994 53.050 -0.141 0.000 0.851 177 N CB 1.670 40.111 38.487 -0.077 0.000 1.470 177 N HN -0.094 nan 8.380 nan 0.000 0.517 178 S N -0.736 114.848 115.700 -0.194 0.000 2.578 178 S HA 0.815 5.286 4.470 0.002 0.000 0.301 178 S C -0.979 173.512 174.600 -0.181 0.000 1.091 178 S CA -0.936 57.145 58.200 -0.197 0.000 1.032 178 S CB 0.871 64.004 63.200 -0.112 0.000 1.064 178 S HN 0.756 nan 8.310 nan 0.000 0.508 179 R N 1.450 121.870 120.500 -0.134 0.000 2.594 179 R HA 0.403 4.744 4.340 0.002 0.000 0.265 179 R C -1.460 174.824 176.300 -0.028 0.000 1.070 179 R CA -0.845 55.209 56.100 -0.077 0.000 0.909 179 R CB 1.024 31.286 30.300 -0.064 0.000 1.243 179 R HN 0.571 nan 8.270 nan 0.000 0.455 180 R N 1.196 121.627 120.500 -0.114 0.000 2.784 180 R HA 0.406 4.747 4.340 0.002 0.000 0.266 180 R C -0.309 175.799 176.300 -0.322 0.000 1.044 180 R CA -0.278 55.635 56.100 -0.311 0.000 1.151 180 R CB 0.724 30.682 30.300 -0.570 0.000 1.037 180 R HN 0.369 nan 8.270 nan 0.000 0.478 181 V N 1.371 121.019 119.914 -0.443 0.000 2.971 181 V HA 0.327 4.448 4.120 0.002 0.000 0.309 181 V C -1.035 174.863 176.094 -0.326 0.000 1.130 181 V CA -0.844 61.329 62.300 -0.211 0.000 0.964 181 V CB 2.349 34.168 31.823 -0.007 0.000 1.029 181 V HN 0.680 nan 8.190 nan 0.000 0.427 182 W N 4.709 126.142 121.300 0.221 0.000 2.362 182 W HA 0.595 5.256 4.660 0.002 0.000 0.316 182 W C -0.777 175.913 176.519 0.285 0.000 1.024 182 W CA -0.555 56.955 57.345 0.275 0.000 1.270 182 W CB 1.640 31.395 29.460 0.493 0.000 1.273 182 W HN 0.389 nan 8.180 nan 0.000 0.424 183 I N 4.352 125.127 120.570 0.341 0.000 2.304 183 I HA 0.318 4.489 4.170 0.002 0.000 0.291 183 I C -0.603 175.718 176.117 0.340 0.000 1.018 183 I CA -0.465 61.008 61.300 0.289 0.000 1.260 183 I CB 0.675 38.759 38.000 0.141 0.000 1.390 183 I HN 0.168 nan 8.210 nan 0.000 0.475 184 F N 5.340 125.436 119.950 0.244 0.000 2.557 184 F HA 0.514 5.043 4.527 0.002 0.000 0.316 184 F C -0.545 175.414 175.800 0.264 0.000 1.141 184 F CA -0.163 57.956 58.000 0.198 0.000 0.922 184 F CB 1.711 40.913 39.000 0.338 0.000 1.194 184 F HN 0.273 nan 8.300 nan 0.000 0.443 185 T N 2.791 117.032 114.554 -0.522 0.000 2.855 185 T HA 0.292 4.644 4.350 0.002 0.000 0.281 185 T C 0.622 174.990 174.700 -0.554 0.000 1.007 185 T CA -0.297 61.588 62.100 -0.360 0.000 1.009 185 T CB 1.611 70.365 68.868 -0.191 0.000 0.983 185 T HN 0.655 nan 8.240 nan 0.000 0.455 186 T N -0.853 113.565 114.554 -0.228 0.000 3.092 186 T HA 0.459 4.811 4.350 0.002 0.000 0.258 186 T C 0.766 175.427 174.700 -0.065 0.000 1.031 186 T CA -0.384 61.651 62.100 -0.109 0.000 0.925 186 T CB 0.266 69.215 68.868 0.135 0.000 1.036 186 T HN 0.676 nan 8.240 nan 0.000 0.544 187 G N -0.824 107.919 108.800 -0.096 0.000 2.658 187 G HA2 0.517 4.479 3.960 0.002 0.000 0.292 187 G HA3 0.517 4.479 3.960 0.002 0.000 0.292 187 G C -0.586 174.266 174.900 -0.079 0.000 1.320 187 G CA -0.435 44.621 45.100 -0.074 0.000 0.933 187 G HN -0.002 nan 8.290 nan 0.000 0.476 188 D N -1.431 118.933 120.400 -0.060 0.000 2.615 188 D HA 0.152 4.793 4.640 0.002 0.000 0.259 188 D C 0.703 176.971 176.300 -0.054 0.000 0.999 188 D CA 0.782 54.748 54.000 -0.055 0.000 0.938 188 D CB 1.359 42.134 40.800 -0.042 0.000 1.121 188 D HN 0.249 nan 8.370 nan 0.000 0.487 194 R N 2.233 122.659 120.500 -0.123 0.000 2.347 194 R HA 0.208 4.550 4.340 0.002 0.000 0.304 194 R C -2.271 173.938 176.300 -0.152 0.000 1.072 194 R CA -1.157 54.836 56.100 -0.178 0.000 0.980 194 R CB 0.190 30.402 30.300 -0.146 0.000 0.986 194 R HN 0.002 nan 8.270 nan 0.000 0.448 195 P HA -0.072 nan 4.420 nan 0.000 0.270 195 P C -0.838 176.372 177.300 -0.150 0.000 1.223 195 P CA -0.298 62.663 63.100 -0.231 0.000 0.785 195 P CB 0.654 32.008 31.700 -0.577 0.000 0.923 196 L N 1.457 122.671 121.223 -0.014 0.000 2.343 196 L HA 0.681 5.023 4.340 0.002 0.000 0.275 196 L C -0.718 176.206 176.870 0.090 0.000 1.056 196 L CA -0.634 54.100 54.840 -0.178 0.000 0.804 196 L CB 1.006 42.686 42.059 -0.632 0.000 1.203 196 L HN 0.495 nan 8.230 nan 0.000 0.440 197 A N 4.678 127.529 122.820 0.051 0.000 2.385 197 A HA 0.674 4.995 4.320 0.002 0.000 0.290 197 A C -1.392 176.283 177.584 0.151 0.000 1.094 197 A CA -0.537 51.608 52.037 0.180 0.000 0.729 197 A CB 1.157 20.343 19.000 0.310 0.000 1.194 197 A HN 0.479 nan 8.150 nan 0.000 0.442 198 V N 3.265 123.262 119.914 0.138 0.000 2.432 198 V HA 0.395 4.517 4.120 0.002 0.000 0.275 198 V C -0.477 175.711 176.094 0.158 0.000 1.043 198 V CA -0.270 62.125 62.300 0.158 0.000 0.925 198 V CB 1.080 33.013 31.823 0.184 0.000 0.985 198 V HN 0.721 nan 8.190 nan 0.000 0.466 199 L N 6.108 127.444 121.223 0.189 0.000 2.305 199 L HA 0.524 4.865 4.340 0.002 0.000 0.284 199 L C -0.131 176.879 176.870 0.234 0.000 1.013 199 L CA 0.247 55.188 54.840 0.169 0.000 0.819 199 L CB 1.485 43.630 42.059 0.143 0.000 1.227 199 L HN 0.466 nan 8.230 nan 0.000 0.417 200 L N 2.931 124.277 121.223 0.205 0.000 2.439 200 L HA 0.366 4.707 4.340 0.002 0.000 0.259 200 L C 0.204 177.202 176.870 0.214 0.000 1.129 200 L CA -0.741 54.209 54.840 0.183 0.000 0.803 200 L CB 0.437 42.560 42.059 0.107 0.000 1.161 200 L HN 0.630 nan 8.230 nan 0.000 0.462 201 D N 1.562 122.050 120.400 0.146 0.000 2.699 201 D HA -0.152 4.490 4.640 0.002 0.000 0.239 201 D C 1.115 177.525 176.300 0.185 0.000 1.136 201 D CA 0.925 54.986 54.000 0.102 0.000 0.668 201 D CB -0.650 40.130 40.800 -0.034 0.000 1.060 201 D HN 0.993 nan 8.370 nan 0.000 0.429 202 G N 0.432 109.404 108.800 0.287 0.000 2.448 202 G HA2 -0.192 3.769 3.960 0.002 0.000 0.218 202 G HA3 -0.192 3.769 3.960 0.002 0.000 0.218 202 G C 1.416 176.394 174.900 0.129 0.000 1.135 202 G CA 0.876 46.184 45.100 0.346 0.000 0.784 202 G HN 0.361 nan 8.290 nan 0.000 0.543 203 E N 0.158 120.480 120.200 0.203 0.000 2.338 203 E HA -0.021 4.330 4.350 0.002 0.000 0.197 203 E C 1.740 178.240 176.600 -0.167 0.000 1.007 203 E CA 0.178 56.590 56.400 0.019 0.000 0.849 203 E CB -0.548 29.306 29.700 0.257 0.000 0.774 203 E HN 0.454 nan 8.360 nan 0.000 0.506 204 F N -0.189 119.566 119.950 -0.326 0.000 2.098 204 F HA 0.020 4.549 4.527 0.002 0.000 0.294 204 F C 1.185 176.607 175.800 -0.629 0.000 1.107 204 F CA 1.165 58.836 58.000 -0.548 0.000 1.234 204 F CB -0.082 38.426 39.000 -0.820 0.000 1.002 204 F HN -0.031 nan 8.300 nan 0.000 0.472 205 W N -0.561 120.651 121.300 -0.147 0.000 3.180 205 W HA 0.247 4.908 4.660 0.002 0.000 0.254 205 W C 2.025 178.070 176.519 -0.790 0.000 1.318 205 W CA 0.483 57.605 57.345 -0.372 0.000 1.608 205 W CB -0.392 28.913 29.460 -0.259 0.000 1.124 205 W HN 0.049 nan 8.180 nan 0.000 0.694 206 A N -0.305 122.109 122.820 -0.677 0.000 1.901 206 A HA -0.021 4.300 4.320 0.002 0.000 0.210 206 A C 1.836 179.073 177.584 -0.578 0.000 1.208 206 A CA 1.043 52.509 52.037 -0.951 0.000 0.644 206 A CB -0.092 17.636 19.000 -2.120 0.000 0.863 206 A HN 0.280 nan 8.150 nan 0.000 0.454 207 Q N -1.271 118.228 119.800 -0.502 0.000 2.548 207 Q HA 0.256 4.598 4.340 0.002 0.000 0.230 207 Q C 0.798 176.616 176.000 -0.304 0.000 0.899 207 Q CA 0.179 55.816 55.803 -0.277 0.000 0.936 207 Q CB 0.621 29.262 28.738 -0.161 0.000 1.114 207 Q HN 0.505 nan 8.270 nan 0.000 0.606 211 V N 1.125 120.505 119.914 -0.889 0.000 3.650 211 V HA 0.025 4.146 4.120 0.002 0.000 0.271 211 V C 1.095 176.720 176.094 -0.782 0.000 1.281 211 V CA 0.378 62.224 62.300 -0.757 0.000 1.120 211 V CB -0.316 31.113 31.823 -0.657 0.000 0.856 211 V HN 0.650 nan 8.190 nan 0.000 0.443 212 W N 1.103 122.086 121.300 -0.528 0.000 2.311 212 W HA -0.134 4.527 4.660 0.002 0.000 0.326 212 W C -0.023 176.293 176.519 -0.337 0.000 1.239 212 W CA 1.454 58.379 57.345 -0.700 0.000 1.258 212 W CB -2.289 26.714 29.460 -0.761 0.000 1.165 212 W HN 0.258 nan 8.180 nan 0.000 0.466 213 P HA -0.171 nan 4.420 nan 0.000 0.219 213 P C 1.568 178.770 177.300 -0.164 0.000 1.146 213 P CA 1.649 64.717 63.100 -0.053 0.000 0.808 213 P CB -0.208 31.454 31.700 -0.062 0.000 0.779 214 V N -0.970 118.712 119.914 -0.387 0.000 2.453 214 V HA -0.180 3.941 4.120 0.002 0.000 0.247 214 V C 2.368 178.266 176.094 -0.328 0.000 1.048 214 V CA 1.502 63.475 62.300 -0.545 0.000 1.049 214 V CB -1.163 29.942 31.823 -1.196 0.000 0.672 214 V HN 0.057 nan 8.190 nan 0.000 0.457 215 L N -0.352 120.724 121.223 -0.245 0.000 2.044 215 L HA -0.114 4.227 4.340 0.002 0.000 0.205 215 L C 2.667 179.585 176.870 0.080 0.000 1.075 215 L CA 1.750 56.545 54.840 -0.075 0.000 0.747 215 L CB -1.307 40.703 42.059 -0.082 0.000 0.903 215 L HN 0.294 nan 8.230 nan 0.000 0.435 216 T N -0.666 113.971 114.554 0.138 0.000 2.592 216 T HA -0.321 4.031 4.350 0.002 0.000 0.267 216 T C 2.141 176.900 174.700 0.098 0.000 1.060 216 T CA 2.133 64.315 62.100 0.136 0.000 1.167 216 T CB -0.466 68.476 68.868 0.123 0.000 0.863 216 T HN 0.392 nan 8.240 nan 0.000 0.431 217 S N 0.833 116.561 115.700 0.046 0.000 2.359 217 S HA -0.079 4.392 4.470 0.002 0.000 0.223 217 S C 2.045 176.691 174.600 0.076 0.000 1.039 217 S CA 1.292 59.529 58.200 0.061 0.000 1.042 217 S CB -0.589 62.606 63.200 -0.008 0.000 0.915 217 S HN 0.461 nan 8.310 nan 0.000 0.439 218 L N 0.566 121.806 121.223 0.029 0.000 2.275 218 L HA -0.022 4.320 4.340 0.002 0.000 0.215 218 L C 2.511 179.438 176.870 0.094 0.000 1.119 218 L CA 1.295 56.156 54.840 0.036 0.000 0.790 218 L CB -0.458 41.603 42.059 0.004 0.000 0.919 218 L HN 0.399 nan 8.230 nan 0.000 0.443 219 T N -3.137 111.498 114.554 0.136 0.000 3.010 219 T HA -0.126 4.225 4.350 0.002 0.000 0.252 219 T C 1.790 176.587 174.700 0.160 0.000 1.047 219 T CA 0.382 62.581 62.100 0.165 0.000 1.140 219 T CB -0.207 68.767 68.868 0.176 0.000 0.885 219 T HN 0.392 nan 8.240 nan 0.000 0.464 220 H N 1.848 120.950 119.070 0.054 0.000 2.457 220 H HA -0.017 4.540 4.556 0.002 0.000 0.297 220 H C 1.750 177.097 175.328 0.032 0.000 1.092 220 H CA 1.004 57.075 56.048 0.038 0.000 1.309 220 H CB 0.257 30.037 29.762 0.029 0.000 1.382 220 H HN 0.260 nan 8.280 nan 0.000 0.535 221 R N 0.471 120.958 120.500 -0.021 0.000 2.334 221 R HA 0.007 4.348 4.340 0.002 0.000 0.216 221 R C 0.241 176.518 176.300 -0.040 0.000 0.905 221 R CA 0.601 56.650 56.100 -0.084 0.000 1.064 221 R CB 0.315 30.585 30.300 -0.051 0.000 1.046 221 R HN 0.426 nan 8.270 nan 0.000 0.508 222 Q N 0.574 120.390 119.800 0.027 0.000 2.454 222 Q HA -0.239 4.103 4.340 0.002 0.000 0.307 222 Q C -0.390 175.573 176.000 -0.061 0.000 1.430 222 Q CA 0.795 56.645 55.803 0.079 0.000 0.786 222 Q CB -2.058 26.732 28.738 0.086 0.000 1.115 222 Q HN 0.488 nan 8.270 nan 0.000 0.389 223 Q N 0.087 119.863 119.800 -0.041 0.000 2.378 223 Q HA 0.352 4.693 4.340 0.002 0.000 0.216 223 Q C 0.471 176.519 176.000 0.079 0.000 0.892 223 Q CA 0.500 56.211 55.803 -0.154 0.000 0.931 223 Q CB 0.684 29.371 28.738 -0.084 0.000 1.086 223 Q HN 0.563 nan 8.270 nan 0.000 0.528 224 L N 1.373 122.781 121.223 0.310 0.000 2.354 224 L HA 0.499 4.840 4.340 0.002 0.000 0.269 224 L C -2.472 174.680 176.870 0.469 0.000 1.005 224 L CA -2.344 52.797 54.840 0.502 0.000 0.819 224 L CB 1.726 44.045 42.059 0.433 0.000 1.311 224 L HN -0.175 nan 8.230 nan 0.000 0.423 225 P HA 0.280 nan 4.420 nan 0.000 0.276 225 P C -2.642 174.587 177.300 -0.119 0.000 1.261 225 P CA -1.666 61.361 63.100 -0.122 0.000 0.800 225 P CB -0.151 31.254 31.700 -0.492 0.000 1.066 226 P HA 0.348 nan 4.420 nan 0.000 0.271 226 P C -0.954 176.196 177.300 -0.249 0.000 1.220 226 P CA 0.493 63.522 63.100 -0.117 0.000 0.768 226 P CB 0.259 31.903 31.700 -0.093 0.000 0.848 227 A N 2.585 125.260 122.820 -0.242 0.000 2.602 227 A HA 0.623 4.945 4.320 0.002 0.000 0.290 227 A C -1.336 176.033 177.584 -0.357 0.000 1.114 227 A CA -0.569 51.211 52.037 -0.428 0.000 0.683 227 A CB 1.091 19.606 19.000 -0.807 0.000 1.281 227 A HN 0.246 nan 8.150 nan 0.000 0.416 228 V N 1.022 120.730 119.914 -0.344 0.000 2.394 228 V HA 0.419 4.540 4.120 0.002 0.000 0.282 228 V C -1.310 174.626 176.094 -0.263 0.000 1.031 228 V CA -0.161 62.027 62.300 -0.186 0.000 0.881 228 V CB 0.533 32.330 31.823 -0.043 0.000 0.982 228 V HN 0.674 nan 8.190 nan 0.000 0.451 229 Y N 3.184 123.602 120.300 0.197 0.000 2.342 229 Y HA 0.560 5.111 4.550 0.002 0.000 0.338 229 Y C 0.062 176.121 175.900 0.265 0.000 0.965 229 Y CA -0.819 57.441 58.100 0.267 0.000 1.159 229 Y CB 1.879 40.583 38.460 0.407 0.000 1.157 229 Y HN 0.374 nan 8.280 nan 0.000 0.486 230 V N 5.960 126.050 119.914 0.292 0.000 2.328 230 V HA 0.283 4.404 4.120 0.002 0.000 0.278 230 V C -0.601 175.674 176.094 0.303 0.000 1.021 230 V CA -0.676 61.774 62.300 0.249 0.000 0.838 230 V CB 0.873 32.743 31.823 0.079 0.000 0.999 230 V HN 0.465 nan 8.190 nan 0.000 0.447 231 L N 6.607 128.083 121.223 0.422 0.000 2.265 231 L HA 0.548 4.889 4.340 0.002 0.000 0.289 231 L C -0.165 177.007 176.870 0.505 0.000 1.033 231 L CA 0.119 55.235 54.840 0.461 0.000 0.814 231 L CB 1.320 43.693 42.059 0.524 0.000 1.203 231 L HN 0.474 nan 8.230 nan 0.000 0.423 232 I N 2.738 123.544 120.570 0.394 0.000 2.330 232 I HA 0.184 4.355 4.170 0.002 0.000 0.289 232 I C 0.035 176.376 176.117 0.373 0.000 1.001 232 I CA -0.841 60.673 61.300 0.357 0.000 1.193 232 I CB 1.289 39.472 38.000 0.305 0.000 1.345 232 I HN 0.494 nan 8.210 nan 0.000 0.461 233 D N 5.245 125.874 120.400 0.381 0.000 2.531 233 D HA 0.009 4.651 4.640 0.002 0.000 0.239 233 D C 0.900 177.318 176.300 0.197 0.000 1.144 233 D CA 0.352 54.548 54.000 0.328 0.000 0.869 233 D CB 1.348 42.276 40.800 0.214 0.000 1.160 233 D HN 0.663 nan 8.370 nan 0.000 0.484 234 A N 4.038 126.947 122.820 0.148 0.000 2.218 234 A HA 0.172 4.493 4.320 0.002 0.000 0.209 234 A C 1.828 179.426 177.584 0.023 0.000 1.168 234 A CA 0.584 52.662 52.037 0.067 0.000 0.804 234 A CB -0.489 18.536 19.000 0.041 0.000 0.834 234 A HN 0.833 nan 8.150 nan 0.000 0.482 235 I N -1.935 118.642 120.570 0.010 0.000 4.833 235 I HA -0.419 3.752 4.170 0.002 0.000 0.040 235 I C 0.244 176.342 176.117 -0.032 0.000 0.633 235 I CA 2.040 63.288 61.300 -0.087 0.000 0.488 235 I CB -1.188 36.602 38.000 -0.349 0.000 0.496 235 I HN 0.639 nan 8.210 nan 0.000 0.152 236 D N -1.778 118.631 120.400 0.016 0.000 2.768 236 D HA 0.344 4.985 4.640 0.002 0.000 0.327 236 D C 0.240 176.595 176.300 0.091 0.000 1.302 236 D CA 0.114 54.156 54.000 0.070 0.000 0.897 236 D CB 0.493 41.347 40.800 0.089 0.000 1.420 236 D HN 0.064 nan 8.370 nan 0.000 0.494 237 T N -0.568 114.025 114.554 0.065 0.000 2.720 237 T HA -0.125 4.226 4.350 0.002 0.000 0.268 237 T C 1.608 176.324 174.700 0.027 0.000 1.037 237 T CA 2.461 64.587 62.100 0.043 0.000 1.144 237 T CB -0.558 68.324 68.868 0.024 0.000 0.864 237 T HN 0.563 nan 8.240 nan 0.000 0.444 238 T N 0.641 115.209 114.554 0.024 0.000 2.770 238 T HA -0.071 4.281 4.350 0.002 0.000 0.263 238 T C 1.756 176.375 174.700 -0.134 0.000 1.039 238 T CA 1.291 63.334 62.100 -0.095 0.000 1.142 238 T CB -0.429 68.398 68.868 -0.067 0.000 0.868 238 T HN 0.510 nan 8.240 nan 0.000 0.435 239 H N 0.626 119.681 119.070 -0.026 0.000 2.387 239 H HA 0.058 4.616 4.556 0.003 0.000 0.299 239 H C 2.486 177.769 175.328 -0.075 0.000 1.099 239 H CA 1.401 57.446 56.048 -0.005 0.000 1.315 239 H CB -0.016 29.741 29.762 -0.007 0.000 1.380 239 H HN 0.125 nan 8.280 nan 0.000 0.513 240 R N 0.269 120.796 120.500 0.046 0.000 2.115 240 R HA 0.002 4.343 4.340 0.002 0.000 0.226 240 R C 2.093 178.335 176.300 -0.098 0.000 1.100 240 R CA 0.897 56.975 56.100 -0.036 0.000 0.980 240 R CB -0.040 30.279 30.300 0.032 0.000 0.875 240 R HN 0.344 nan 8.270 nan 0.000 0.445 241 A N -0.710 122.067 122.820 -0.071 0.000 2.067 241 A HA -0.074 4.247 4.320 0.002 0.000 0.217 241 A C 1.350 178.751 177.584 -0.305 0.000 1.156 241 A CA 0.925 52.891 52.037 -0.119 0.000 0.683 241 A CB -0.342 18.666 19.000 0.013 0.000 0.808 241 A HN 0.481 nan 8.150 nan 0.000 0.455 242 H N -1.578 117.398 119.070 -0.157 0.000 2.451 242 H HA 0.115 4.672 4.556 0.002 0.000 0.294 242 H C 1.960 177.124 175.328 -0.274 0.000 1.028 242 H CA 1.043 56.983 56.048 -0.179 0.000 1.349 242 H CB 0.342 30.028 29.762 -0.127 0.000 1.444 242 H HN 0.524 nan 8.280 nan 0.000 0.538 243 E N 0.346 120.422 120.200 -0.206 0.000 2.102 243 E HA -0.001 4.351 4.350 0.002 0.000 0.190 243 E C 1.849 178.025 176.600 -0.705 0.000 0.971 243 E CA 0.240 56.401 56.400 -0.398 0.000 0.821 243 E CB 0.392 29.852 29.700 -0.400 0.000 0.777 243 E HN 0.319 nan 8.360 nan 0.000 0.460 244 L N 0.889 121.698 121.223 -0.689 0.000 2.095 244 L HA 0.027 4.368 4.340 0.002 0.000 0.204 244 L C -1.417 175.022 176.870 -0.719 0.000 1.080 244 L CA 0.253 54.683 54.840 -0.683 0.000 0.759 244 L CB -1.178 40.584 42.059 -0.495 0.000 0.914 244 L HN -0.053 nan 8.230 nan 0.000 0.439 245 P HA 0.099 nan 4.420 nan 0.000 0.273 245 P C -0.025 176.544 177.300 -1.219 0.000 1.319 245 P CA -0.117 62.105 63.100 -1.463 0.000 0.885 245 P CB 0.068 30.259 31.700 -2.514 0.000 1.015 246 C N 1.623 120.316 119.300 -1.012 0.000 4.165 246 C HA -0.169 4.292 4.460 0.002 0.000 0.299 246 C C 0.882 175.309 174.990 -0.939 0.000 1.445 246 C CA 0.146 58.314 59.018 -1.417 0.000 2.029 246 C CB -2.937 24.253 27.740 -0.917 0.000 1.288 246 C HN 0.650 nan 8.230 nan 0.000 0.752 247 N N 0.294 118.712 118.700 -0.469 0.000 2.527 247 N HA 0.531 5.272 4.740 0.002 0.000 0.236 247 N C 0.737 176.421 175.510 0.290 0.000 0.999 247 N CA 0.404 53.400 53.050 -0.090 0.000 0.935 247 N CB 1.238 39.654 38.487 -0.120 0.000 1.132 247 N HN 0.467 nan 8.380 nan 0.000 0.511 248 A N 3.205 126.281 122.820 0.426 0.000 1.940 248 A HA -0.135 4.187 4.320 0.002 0.000 0.219 248 A C 1.549 179.409 177.584 0.460 0.000 1.176 248 A CA 1.240 53.698 52.037 0.701 0.000 0.631 248 A CB -0.148 19.227 19.000 0.624 0.000 0.814 248 A HN 0.684 nan 8.150 nan 0.000 0.446 249 D N -1.738 118.832 120.400 0.283 0.000 2.348 249 D HA -0.059 4.582 4.640 0.002 0.000 0.216 249 D C 1.369 177.745 176.300 0.127 0.000 0.970 249 D CA 0.724 54.829 54.000 0.176 0.000 0.889 249 D CB -0.076 40.793 40.800 0.115 0.000 0.912 249 D HN 0.564 nan 8.370 nan 0.000 0.524 250 F N -0.896 119.050 119.950 -0.007 0.000 2.219 250 F HA -0.033 4.495 4.527 0.002 0.000 0.294 250 F C 1.669 177.331 175.800 -0.231 0.000 1.086 250 F CA 0.807 58.706 58.000 -0.167 0.000 1.330 250 F CB -0.291 38.512 39.000 -0.329 0.000 1.047 250 F HN -0.119 nan 8.300 nan 0.000 0.495 251 W N 0.455 121.777 121.300 0.038 0.000 2.770 251 W HA 0.093 4.755 4.660 0.002 0.000 0.256 251 W C 1.863 178.070 176.519 -0.521 0.000 1.291 251 W CA 0.332 57.505 57.345 -0.286 0.000 1.396 251 W CB -0.092 29.158 29.460 -0.349 0.000 1.114 251 W HN 0.009 nan 8.180 nan 0.000 0.637 252 L N -0.469 120.674 121.223 -0.133 0.000 2.209 252 L HA -0.012 4.330 4.340 0.002 0.000 0.207 252 L C 2.585 179.424 176.870 -0.051 0.000 1.094 252 L CA 0.940 55.720 54.840 -0.101 0.000 0.790 252 L CB -0.916 41.182 42.059 0.066 0.000 0.932 252 L HN -0.042 nan 8.230 nan 0.000 0.447 253 A N 0.165 122.953 122.820 -0.053 0.000 1.898 253 A HA -0.153 4.169 4.320 0.002 0.000 0.216 253 A C 2.341 179.986 177.584 0.100 0.000 1.181 253 A CA 1.709 53.784 52.037 0.062 0.000 0.620 253 A CB -0.779 18.233 19.000 0.020 0.000 0.819 253 A HN 0.285 nan 8.150 nan 0.000 0.442 254 V N -1.737 118.079 119.914 -0.164 0.000 2.548 254 V HA -0.233 3.888 4.120 0.002 0.000 0.249 254 V C 1.978 177.974 176.094 -0.164 0.000 1.055 254 V CA 2.359 64.466 62.300 -0.322 0.000 1.065 254 V CB -0.838 30.735 31.823 -0.416 0.000 0.681 254 V HN 0.616 nan 8.190 nan 0.000 0.462 255 Q N -0.306 119.460 119.800 -0.057 0.000 2.137 255 Q HA -0.077 4.265 4.340 0.002 0.000 0.198 255 Q C 2.374 178.346 176.000 -0.048 0.000 0.960 255 Q CA 1.842 57.626 55.803 -0.032 0.000 0.847 255 Q CB -0.039 28.643 28.738 -0.094 0.000 0.915 255 Q HN 0.742 nan 8.270 nan 0.000 0.448 256 Q N -0.356 119.421 119.800 -0.038 0.000 2.349 256 Q HA -0.019 4.323 4.340 0.002 0.000 0.209 256 Q C 1.331 177.331 176.000 -0.001 0.000 0.920 256 Q CA 0.590 56.387 55.803 -0.010 0.000 0.901 256 Q CB 0.546 29.293 28.738 0.015 0.000 1.021 256 Q HN 0.326 nan 8.270 nan 0.000 0.519 257 E N 0.101 120.307 120.200 0.010 0.000 2.110 257 E HA -0.042 4.309 4.350 0.002 0.000 0.193 257 E C 1.632 178.097 176.600 -0.226 0.000 0.950 257 E CA 0.225 56.643 56.400 0.030 0.000 0.840 257 E CB 0.180 30.090 29.700 0.350 0.000 0.809 257 E HN 0.046 nan 8.360 nan 0.000 0.465 258 L N 1.325 122.223 121.223 -0.541 0.000 2.049 258 L HA -0.020 4.322 4.340 0.002 0.000 0.203 258 L C 2.057 178.695 176.870 -0.386 0.000 1.074 258 L CA 1.368 55.692 54.840 -0.859 0.000 0.749 258 L CB -0.342 40.855 42.059 -1.436 0.000 0.907 258 L HN 0.095 nan 8.230 nan 0.000 0.439 259 L N -0.204 120.894 121.223 -0.208 0.000 1.989 259 L HA -0.173 4.169 4.340 0.002 0.000 0.211 259 L C -0.008 176.898 176.870 0.059 0.000 1.071 259 L CA 1.479 56.332 54.840 0.022 0.000 0.749 259 L CB -2.383 39.762 42.059 0.144 0.000 0.890 259 L HN 0.229 nan 8.230 nan 0.000 0.431 260 P HA -0.238 nan 4.420 nan 0.000 0.216 260 P C 1.828 179.105 177.300 -0.038 0.000 1.157 260 P CA 1.430 64.511 63.100 -0.032 0.000 0.880 260 P CB -0.051 31.624 31.700 -0.042 0.000 0.791 261 L N -1.074 120.107 121.223 -0.070 0.000 2.141 261 L HA -0.085 4.256 4.340 0.002 0.000 0.209 261 L C 2.012 178.860 176.870 -0.037 0.000 1.094 261 L CA 1.749 56.549 54.840 -0.066 0.000 0.763 261 L CB -1.012 40.983 42.059 -0.108 0.000 0.908 261 L HN -0.192 nan 8.230 nan 0.000 0.437 262 V N -0.349 119.559 119.914 -0.011 0.000 2.591 262 V HA -0.192 3.929 4.120 0.002 0.000 0.249 262 V C 2.570 178.753 176.094 0.148 0.000 1.053 262 V CA 1.700 64.040 62.300 0.068 0.000 1.068 262 V CB -0.517 31.362 31.823 0.094 0.000 0.689 262 V HN 0.502 nan 8.190 nan 0.000 0.462 263 K N -0.106 120.369 120.400 0.125 0.000 2.283 263 K HA -0.086 4.235 4.320 0.002 0.000 0.202 263 K C 1.847 178.408 176.600 -0.066 0.000 1.048 263 K CA 0.889 57.145 56.287 -0.051 0.000 0.948 263 K CB 0.011 32.353 32.500 -0.264 0.000 0.742 263 K HN 0.314 nan 8.250 nan 0.000 0.458 264 V N 0.832 120.724 119.914 -0.036 0.000 2.548 264 V HA -0.158 3.963 4.120 0.002 0.000 0.249 264 V C 1.962 178.043 176.094 -0.023 0.000 1.055 264 V CA 1.390 63.667 62.300 -0.038 0.000 1.065 264 V CB -0.178 31.626 31.823 -0.033 0.000 0.681 264 V HN 0.331 nan 8.190 nan 0.000 0.462 265 I N -0.654 119.915 120.570 -0.002 0.000 2.810 265 I HA 0.248 4.420 4.170 0.002 0.000 0.262 265 I C 0.966 177.090 176.117 0.010 0.000 1.131 265 I CA 0.829 62.130 61.300 0.002 0.000 1.453 265 I CB 0.186 38.191 38.000 0.008 0.000 1.161 265 I HN 0.264 nan 8.210 nan 0.000 0.444 266 A N 1.868 124.713 122.820 0.041 0.000 2.599 266 A HA 0.579 4.901 4.320 0.002 0.000 0.281 266 A C -2.731 174.916 177.584 0.103 0.000 1.137 266 A CA -1.057 51.009 52.037 0.048 0.000 0.767 266 A CB 0.305 19.335 19.000 0.050 0.000 1.266 266 A HN -0.142 nan 8.150 nan 0.000 0.420 267 P HA 0.535 nan 4.420 nan 0.000 0.271 267 P C -0.675 176.638 177.300 0.022 0.000 1.216 267 P CA 0.200 63.263 63.100 -0.063 0.000 0.776 267 P CB 0.303 31.938 31.700 -0.110 0.000 0.881 268 F N -1.086 118.818 119.950 -0.078 0.000 2.664 268 F HA 0.704 5.232 4.527 0.002 0.000 0.329 268 F C 0.151 175.899 175.800 -0.087 0.000 1.090 268 F CA -1.588 56.356 58.000 -0.093 0.000 0.978 268 F CB 0.480 39.431 39.000 -0.082 0.000 1.378 268 F HN 0.129 nan 8.300 nan 0.000 0.495 269 S N -0.195 115.568 115.700 0.103 0.000 2.585 269 S HA 0.156 4.627 4.470 0.002 0.000 0.273 269 S C 0.157 174.805 174.600 0.080 0.000 1.339 269 S CA -0.368 57.840 58.200 0.012 0.000 1.028 269 S CB 0.226 63.422 63.200 -0.006 0.000 0.906 269 S HN 0.676 nan 8.310 nan 0.000 0.528 270 D N 2.147 122.534 120.400 -0.022 0.000 2.368 270 D HA 0.112 4.753 4.640 0.002 0.000 0.218 270 D C 0.004 176.309 176.300 0.008 0.000 1.112 270 D CA 0.054 54.049 54.000 -0.008 0.000 0.834 270 D CB 0.204 40.954 40.800 -0.082 0.000 0.953 270 D HN 0.479 nan 8.370 nan 0.000 0.505 271 R N 0.751 121.263 120.500 0.020 0.000 2.401 271 R HA 0.322 4.663 4.340 0.002 0.000 0.299 271 R C 1.122 177.445 176.300 0.038 0.000 1.064 271 R CA -0.140 55.970 56.100 0.017 0.000 1.000 271 R CB 1.018 31.326 30.300 0.013 0.000 0.973 271 R HN -0.074 nan 8.270 nan 0.000 0.438 272 A N 3.411 126.244 122.820 0.021 0.000 1.972 272 A HA -0.214 4.108 4.320 0.002 0.000 0.219 272 A C 1.401 179.032 177.584 0.078 0.000 1.169 272 A CA 1.812 53.867 52.037 0.029 0.000 0.635 272 A CB -0.289 18.720 19.000 0.015 0.000 0.810 272 A HN 0.838 nan 8.150 nan 0.000 0.446 273 D N -0.187 120.257 120.400 0.073 0.000 2.371 273 D HA -0.133 4.508 4.640 0.002 0.000 0.221 273 D C 1.289 177.679 176.300 0.149 0.000 0.986 273 D CA 1.040 55.097 54.000 0.096 0.000 0.899 273 D CB -0.366 40.474 40.800 0.067 0.000 0.902 273 D HN 0.730 nan 8.370 nan 0.000 0.530 274 R N -1.203 119.395 120.500 0.164 0.000 2.629 274 R HA 0.278 4.619 4.340 0.002 0.000 0.408 274 R C -0.580 175.928 176.300 0.346 0.000 1.057 274 R CA -0.530 55.727 56.100 0.261 0.000 1.119 274 R CB -0.226 30.121 30.300 0.079 0.000 1.403 274 R HN -0.197 nan 8.270 nan 0.000 0.576 275 T N 1.554 116.268 114.554 0.267 0.000 2.756 275 T HA 0.375 4.727 4.350 0.002 0.000 0.290 275 T C -0.452 174.417 174.700 0.282 0.000 0.985 275 T CA -0.382 61.877 62.100 0.265 0.000 0.955 275 T CB 1.838 70.815 68.868 0.182 0.000 0.930 275 T HN -0.019 nan 8.240 nan 0.000 0.451 276 V N 4.353 124.417 119.914 0.251 0.000 2.547 276 V HA 0.567 4.689 4.120 0.002 0.000 0.299 276 V C 0.120 176.266 176.094 0.086 0.000 1.040 276 V CA -0.922 61.432 62.300 0.090 0.000 0.913 276 V CB 1.741 33.477 31.823 -0.146 0.000 0.992 276 V HN 0.757 nan 8.190 nan 0.000 0.449 277 V N 1.505 121.420 119.914 0.001 0.000 2.384 277 V HA 0.949 5.071 4.120 0.002 0.000 0.287 277 V C 0.094 176.159 176.094 -0.049 0.000 1.020 277 V CA -0.736 61.535 62.300 -0.049 0.000 0.850 277 V CB 1.040 32.724 31.823 -0.232 0.000 0.987 277 V HN 1.012 nan 8.190 nan 0.000 0.436 278 A N 3.491 126.298 122.820 -0.022 0.000 2.331 278 A HA 1.037 5.359 4.320 0.002 0.000 0.320 278 A C 0.216 177.786 177.584 -0.024 0.000 1.138 278 A CA 0.054 52.050 52.037 -0.068 0.000 0.790 278 A CB 1.417 20.333 19.000 -0.139 0.000 1.206 278 A HN 1.756 nan 8.150 nan 0.000 0.470 279 G N 0.454 109.212 108.800 -0.069 0.000 2.660 279 G HA2 0.589 4.550 3.960 0.002 0.000 0.290 279 G HA3 0.589 4.550 3.960 0.002 0.000 0.290 279 G C -1.840 172.927 174.900 -0.222 0.000 1.432 279 G CA -0.591 44.464 45.100 -0.076 0.000 0.807 279 G HN 0.700 nan 8.290 nan 0.000 0.485 280 Q N 0.014 119.623 119.800 -0.317 0.000 2.323 280 Q HA 0.608 4.949 4.340 0.002 0.000 0.271 280 Q C 0.499 176.184 176.000 -0.525 0.000 1.048 280 Q CA 0.039 55.443 55.803 -0.665 0.000 0.792 280 Q CB 2.357 30.376 28.738 -1.198 0.000 1.280 280 Q HN 1.733 nan 8.270 nan 0.000 0.441 281 S N 1.327 116.775 115.700 -0.420 0.000 4.157 281 S HA -0.359 4.113 4.470 0.002 0.000 0.552 281 S C 0.977 175.560 174.600 -0.029 0.000 1.867 281 S CA 1.474 59.611 58.200 -0.105 0.000 4.248 281 S CB -1.306 61.910 63.200 0.026 0.000 0.222 281 S HN 0.474 nan 8.310 nan 0.000 0.457 282 F N 3.514 123.347 119.950 -0.195 0.000 2.186 282 F HA 0.275 4.803 4.527 0.002 0.000 0.299 282 F C 2.905 178.532 175.800 -0.288 0.000 1.090 282 F CA 1.283 59.115 58.000 -0.280 0.000 1.307 282 F CB -1.493 37.363 39.000 -0.239 0.000 1.019 282 F HN 0.708 nan 8.300 nan 0.000 0.489 283 G N -1.228 107.546 108.800 -0.045 0.000 2.712 283 G HA2 0.041 4.002 3.960 0.002 0.000 0.212 283 G HA3 0.041 4.002 3.960 0.002 0.000 0.212 283 G C 1.900 176.753 174.900 -0.078 0.000 1.142 283 G CA 0.657 45.715 45.100 -0.070 0.000 0.789 283 G HN 0.496 nan 8.290 nan 0.000 0.535 284 G N 1.043 109.752 108.800 -0.151 0.000 2.411 284 G HA2 -0.007 3.954 3.960 0.002 0.000 0.213 284 G HA3 -0.007 3.954 3.960 0.002 0.000 0.213 284 G C 1.669 176.472 174.900 -0.161 0.000 1.166 284 G CA 0.836 45.845 45.100 -0.152 0.000 0.802 284 G HN 0.381 nan 8.290 nan 0.000 0.533 285 L N 1.468 122.490 121.223 -0.335 0.000 1.990 285 L HA -0.086 4.255 4.340 0.002 0.000 0.213 285 L C 2.747 179.547 176.870 -0.116 0.000 1.072 285 L CA 2.884 57.495 54.840 -0.383 0.000 0.755 285 L CB -1.007 40.745 42.059 -0.511 0.000 0.889 285 L HN 0.221 nan 8.230 nan 0.000 0.432 286 S N -0.627 115.004 115.700 -0.114 0.000 2.370 286 S HA -0.223 4.248 4.470 0.002 0.000 0.226 286 S C 2.147 176.851 174.600 0.173 0.000 1.033 286 S CA 1.529 59.788 58.200 0.099 0.000 1.011 286 S CB -0.689 62.574 63.200 0.105 0.000 0.852 286 S HN 0.754 nan 8.310 nan 0.000 0.457 287 A N 2.096 124.961 122.820 0.075 0.000 1.865 287 A HA -0.001 4.321 4.320 0.002 0.000 0.217 287 A C 2.313 179.850 177.584 -0.079 0.000 1.191 287 A CA 1.602 53.609 52.037 -0.050 0.000 0.623 287 A CB -1.124 17.863 19.000 -0.023 0.000 0.826 287 A HN 0.576 nan 8.150 nan 0.000 0.444 288 L N -1.548 119.707 121.223 0.054 0.000 2.043 288 L HA -0.222 4.119 4.340 0.002 0.000 0.212 288 L C 2.509 179.454 176.870 0.125 0.000 1.075 288 L CA 2.674 57.592 54.840 0.130 0.000 0.752 288 L CB -0.729 41.511 42.059 0.303 0.000 0.891 288 L HN 0.654 nan 8.230 nan 0.000 0.432 289 Y N 0.589 120.892 120.300 0.006 0.000 2.181 289 Y HA -0.255 4.297 4.550 0.002 0.000 0.288 289 Y C 2.456 178.341 175.900 -0.026 0.000 1.146 289 Y CA 1.760 59.875 58.100 0.025 0.000 1.164 289 Y CB -0.355 38.091 38.460 -0.024 0.000 0.982 289 Y HN 0.231 nan 8.280 nan 0.000 0.515 290 A N 0.179 122.818 122.820 -0.301 0.000 1.908 290 A HA -0.132 4.189 4.320 0.002 0.000 0.218 290 A C 2.477 180.037 177.584 -0.040 0.000 1.181 290 A CA 1.838 53.574 52.037 -0.502 0.000 0.627 290 A CB -1.700 16.370 19.000 -1.550 0.000 0.818 290 A HN 0.598 nan 8.150 nan 0.000 0.445 291 G N -0.341 108.424 108.800 -0.059 0.000 2.408 291 G HA2 -0.076 3.885 3.960 0.002 0.000 0.217 291 G HA3 -0.076 3.885 3.960 0.002 0.000 0.217 291 G C 1.498 176.402 174.900 0.007 0.000 1.150 291 G CA 0.963 46.091 45.100 0.046 0.000 0.776 291 G HN 0.447 nan 8.290 nan 0.000 0.542 292 L N -0.730 120.470 121.223 -0.038 0.000 2.217 292 L HA 0.074 4.415 4.340 0.002 0.000 0.211 292 L C 2.455 179.107 176.870 -0.364 0.000 1.107 292 L CA 0.872 55.625 54.840 -0.144 0.000 0.783 292 L CB -0.209 41.786 42.059 -0.106 0.000 0.919 292 L HN 0.181 nan 8.230 nan 0.000 0.442 293 H N -2.671 116.126 119.070 -0.455 0.000 2.557 293 H HA 0.108 4.665 4.556 0.002 0.000 0.281 293 H C 0.144 174.934 175.328 -0.896 0.000 0.990 293 H CA 0.465 55.996 56.048 -0.861 0.000 1.278 293 H CB 0.498 29.325 29.762 -1.559 0.000 1.451 293 H HN 0.164 nan 8.280 nan 0.000 0.516 294 W N 1.055 122.376 121.300 0.035 0.000 1.683 294 W HA 0.253 4.914 4.660 0.002 0.000 0.295 294 W C -2.440 174.099 176.519 0.034 0.000 0.865 294 W CA -1.659 55.718 57.345 0.053 0.000 2.079 294 W CB 0.712 30.252 29.460 0.133 0.000 2.263 294 W HN 0.157 nan 8.180 nan 0.000 0.427 295 P HA -0.156 nan 4.420 nan 0.000 0.229 295 P C 1.553 178.885 177.300 0.053 0.000 1.160 295 P CA 1.583 64.731 63.100 0.080 0.000 0.777 295 P CB 0.218 31.923 31.700 0.008 0.000 0.814 296 E N -0.123 120.102 120.200 0.042 0.000 2.481 296 E HA -0.080 4.272 4.350 0.002 0.000 0.195 296 E C 1.709 178.281 176.600 -0.048 0.000 1.047 296 E CA 0.619 57.023 56.400 0.008 0.000 0.867 296 E CB -0.091 29.619 29.700 0.016 0.000 0.858 296 E HN 0.124 nan 8.360 nan 0.000 0.513 297 R N -0.012 120.411 120.500 -0.128 0.000 2.310 297 R HA 0.244 4.585 4.340 0.002 0.000 0.199 297 R C -0.347 175.618 176.300 -0.559 0.000 0.891 297 R CA 0.437 56.279 56.100 -0.429 0.000 1.060 297 R CB 0.365 30.235 30.300 -0.717 0.000 1.188 297 R HN 0.038 nan 8.270 nan 0.000 0.607 298 F N -0.265 119.734 119.950 0.082 0.000 2.552 298 F HA 0.448 4.976 4.527 0.002 0.000 0.369 298 F C 0.937 176.759 175.800 0.038 0.000 1.112 298 F CA -0.799 57.229 58.000 0.046 0.000 1.129 298 F CB 2.242 41.236 39.000 -0.010 0.000 1.360 298 F HN 0.114 nan 8.300 nan 0.000 0.473 299 G N 0.518 109.426 108.800 0.181 0.000 3.126 299 G HA2 0.115 4.077 3.960 0.002 0.000 0.224 299 G HA3 0.115 4.077 3.960 0.002 0.000 0.224 299 G C -0.264 174.709 174.900 0.122 0.000 1.142 299 G CA 0.183 45.359 45.100 0.127 0.000 0.759 299 G HN 0.548 nan 8.290 nan 0.000 0.550 300 C N 0.870 120.252 119.300 0.137 0.000 2.319 300 C HA 0.699 5.160 4.460 0.002 0.000 0.323 300 C C -0.192 174.824 174.990 0.044 0.000 1.277 300 C CA -0.792 58.277 59.018 0.084 0.000 1.517 300 C CB 0.808 28.587 27.740 0.065 0.000 2.206 300 C HN 0.057 nan 8.230 nan 0.000 0.486 301 V N 5.074 125.002 119.914 0.024 0.000 2.487 301 V HA 0.486 4.607 4.120 0.002 0.000 0.298 301 V C -0.666 175.415 176.094 -0.022 0.000 1.028 301 V CA -0.450 61.851 62.300 0.002 0.000 0.860 301 V CB 1.716 33.560 31.823 0.036 0.000 0.991 301 V HN 0.609 nan 8.190 nan 0.000 0.427 302 L N 5.080 126.265 121.223 -0.063 0.000 2.337 302 L HA 0.584 4.925 4.340 0.002 0.000 0.269 302 L C 0.029 176.852 176.870 -0.078 0.000 1.018 302 L CA 0.223 55.007 54.840 -0.094 0.000 0.876 302 L CB 1.191 43.150 42.059 -0.167 0.000 1.236 302 L HN 0.627 nan 8.230 nan 0.000 0.436 303 S N 4.812 120.495 115.700 -0.028 0.000 2.420 303 S HA 0.538 5.009 4.470 0.002 0.000 0.313 303 S C -0.513 174.049 174.600 -0.064 0.000 1.079 303 S CA -0.449 57.746 58.200 -0.008 0.000 1.104 303 S CB 0.280 63.571 63.200 0.151 0.000 0.969 303 S HN 0.705 nan 8.310 nan 0.000 0.471 304 Q N 2.914 122.602 119.800 -0.187 0.000 2.322 304 Q HA 0.386 4.728 4.340 0.002 0.000 0.265 304 Q C 0.097 175.926 176.000 -0.286 0.000 0.985 304 Q CA -0.708 54.932 55.803 -0.271 0.000 0.849 304 Q CB 1.654 30.097 28.738 -0.492 0.000 1.274 304 Q HN 0.854 nan 8.270 nan 0.000 0.449 305 S N 0.465 116.128 115.700 -0.061 0.000 3.549 305 S HA -0.204 4.268 4.470 0.002 0.000 0.366 305 S C 0.550 175.191 174.600 0.069 0.000 1.012 305 S CA 0.316 58.577 58.200 0.102 0.000 1.141 305 S CB -1.577 61.793 63.200 0.284 0.000 0.910 305 S HN 0.922 nan 8.310 nan 0.000 0.471 306 G N 0.851 109.658 108.800 0.012 0.000 2.432 306 G HA2 0.387 4.348 3.960 0.002 0.000 0.239 306 G HA3 0.387 4.348 3.960 0.002 0.000 0.239 306 G C 0.119 174.878 174.900 -0.235 0.000 1.291 306 G CA -0.433 44.518 45.100 -0.248 0.000 0.863 306 G HN 0.520 nan 8.290 nan 0.000 0.560 307 S N 1.519 117.051 115.700 -0.280 0.000 4.139 307 S HA 0.111 4.583 4.470 0.002 0.000 0.215 307 S C -0.130 174.223 174.600 -0.412 0.000 1.390 307 S CA -0.311 57.775 58.200 -0.190 0.000 0.885 307 S CB -0.223 62.906 63.200 -0.119 0.000 1.560 307 S HN 0.553 nan 8.310 nan 0.000 0.449 308 Y N 0.978 121.318 120.300 0.066 0.000 2.470 308 Y HA 0.090 4.641 4.550 0.002 0.000 0.302 308 Y C 1.586 177.608 175.900 0.203 0.000 1.194 308 Y CA -0.896 57.271 58.100 0.111 0.000 1.271 308 Y CB -0.357 38.209 38.460 0.176 0.000 1.092 308 Y HN 0.773 nan 8.280 nan 0.000 0.513 309 W N -2.327 119.176 121.300 0.337 0.000 2.640 309 W HA -0.017 4.644 4.660 0.002 0.000 0.268 309 W C 0.368 177.057 176.519 0.283 0.000 1.263 309 W CA -0.929 56.587 57.345 0.284 0.000 1.344 309 W CB -1.182 28.410 29.460 0.220 0.000 1.093 309 W HN 0.163 nan 8.180 nan 0.000 0.603 310 W N 6.900 127.854 121.300 -0.577 0.000 2.435 310 W HA -0.036 4.625 4.660 0.002 0.000 0.337 310 W C -1.719 174.649 176.519 -0.251 0.000 1.300 310 W CA -0.472 56.502 57.345 -0.617 0.000 1.298 310 W CB 0.634 29.637 29.460 -0.763 0.000 1.217 310 W HN -0.205 nan 8.180 nan 0.000 0.565 311 P HA 0.056 nan 4.420 nan 0.000 0.289 311 P C -0.889 176.181 177.300 -0.382 0.000 1.599 311 P CA 0.140 62.469 63.100 -1.285 0.000 1.239 311 P CB 0.334 30.830 31.700 -2.007 0.000 1.581 312 H N 1.310 120.501 119.070 0.200 0.000 2.690 312 H HA 0.228 4.785 4.556 0.002 0.000 0.289 312 H C 1.323 176.846 175.328 0.325 0.000 1.089 312 H CA -0.192 55.984 56.048 0.213 0.000 1.299 312 H CB 1.008 30.843 29.762 0.120 0.000 1.405 312 H HN 0.193 nan 8.280 nan 0.000 0.463 313 R N 1.380 122.004 120.500 0.206 0.000 2.316 313 R HA 0.027 4.368 4.340 0.002 0.000 0.202 313 R C 1.788 177.993 176.300 -0.159 0.000 1.029 313 R CA 0.724 56.695 56.100 -0.214 0.000 1.018 313 R CB -0.083 30.061 30.300 -0.260 0.000 0.888 313 R HN 0.472 nan 8.270 nan 0.000 0.471 314 G N 0.929 109.735 108.800 0.011 0.000 2.404 314 G HA2 0.023 3.985 3.960 0.002 0.000 0.215 314 G HA3 0.023 3.985 3.960 0.002 0.000 0.215 314 G C 1.287 176.185 174.900 -0.004 0.000 1.174 314 G CA 0.879 45.978 45.100 -0.001 0.000 0.780 314 G HN 0.569 nan 8.290 nan 0.000 0.537 315 G N -0.964 107.871 108.800 0.059 0.000 2.175 315 G HA2 -0.313 3.648 3.960 0.002 0.000 0.244 315 G HA3 -0.313 3.648 3.960 0.002 0.000 0.244 315 G C 1.070 176.012 174.900 0.070 0.000 0.982 315 G CA 1.098 46.246 45.100 0.079 0.000 0.641 315 G HN 0.528 nan 8.290 nan 0.000 0.527 316 Q N 0.050 119.881 119.800 0.052 0.000 2.016 316 Q HA 0.131 4.472 4.340 0.002 0.000 0.200 316 Q C 1.528 177.524 176.000 -0.008 0.000 0.978 316 Q CA 2.097 57.907 55.803 0.012 0.000 0.833 316 Q CB 0.034 28.765 28.738 -0.010 0.000 0.895 316 Q HN 0.868 nan 8.270 nan 0.000 0.427 317 Q N -0.516 119.263 119.800 -0.036 0.000 2.389 317 Q HA 0.375 4.717 4.340 0.002 0.000 0.277 317 Q C -1.306 174.703 176.000 0.015 0.000 1.082 317 Q CA -0.922 54.835 55.803 -0.077 0.000 0.810 317 Q CB 1.523 30.122 28.738 -0.233 0.000 1.374 317 Q HN -0.120 nan 8.270 nan 0.000 0.422 318 E N 0.948 121.184 120.200 0.060 0.000 2.492 318 E HA 0.205 4.556 4.350 0.002 0.000 0.266 318 E C 0.395 177.152 176.600 0.263 0.000 1.047 318 E CA 1.016 57.507 56.400 0.152 0.000 0.968 318 E CB 0.144 29.913 29.700 0.115 0.000 0.960 318 E HN 0.699 nan 8.360 nan 0.000 0.452 319 G N 0.627 109.615 108.800 0.312 0.000 2.554 319 G HA2 0.022 3.983 3.960 0.002 0.000 0.238 319 G HA3 0.022 3.983 3.960 0.002 0.000 0.238 319 G C 0.963 176.030 174.900 0.279 0.000 1.259 319 G CA -0.543 44.759 45.100 0.337 0.000 0.843 319 G HN 0.422 nan 8.290 nan 0.000 0.582 320 V N 2.141 122.196 119.914 0.234 0.000 2.324 320 V HA -0.181 3.941 4.120 0.002 0.000 0.250 320 V C 2.839 179.070 176.094 0.229 0.000 1.060 320 V CA 2.268 64.693 62.300 0.209 0.000 1.042 320 V CB -0.483 31.434 31.823 0.158 0.000 0.650 320 V HN 0.626 nan 8.190 nan 0.000 0.450 321 L N -0.771 120.615 121.223 0.272 0.000 2.012 321 L HA -0.178 4.164 4.340 0.002 0.000 0.210 321 L C 2.193 179.189 176.870 0.210 0.000 1.073 321 L CA 2.050 57.054 54.840 0.274 0.000 0.748 321 L CB -0.575 41.687 42.059 0.338 0.000 0.891 321 L HN 0.278 nan 8.230 nan 0.000 0.431 322 L N -0.850 120.491 121.223 0.195 0.000 2.012 322 L HA -0.253 4.088 4.340 0.002 0.000 0.210 322 L C 2.585 179.520 176.870 0.109 0.000 1.073 322 L CA 1.606 56.523 54.840 0.128 0.000 0.748 322 L CB -0.539 41.596 42.059 0.127 0.000 0.891 322 L HN 0.333 nan 8.230 nan 0.000 0.431 323 E N -0.090 120.186 120.200 0.126 0.000 2.086 323 E HA -0.303 4.048 4.350 0.002 0.000 0.200 323 E C 2.176 178.830 176.600 0.090 0.000 1.012 323 E CA 1.622 58.082 56.400 0.101 0.000 0.812 323 E CB -0.008 29.759 29.700 0.112 0.000 0.743 323 E HN 0.450 nan 8.360 nan 0.000 0.453 324 K N 0.098 120.567 120.400 0.115 0.000 2.148 324 K HA -0.094 4.227 4.320 0.002 0.000 0.204 324 K C 2.208 178.848 176.600 0.066 0.000 1.050 324 K CA 0.659 57.008 56.287 0.103 0.000 0.942 324 K CB -0.012 32.580 32.500 0.154 0.000 0.724 324 K HN 0.132 nan 8.250 nan 0.000 0.446 325 L N 0.808 122.070 121.223 0.065 0.000 2.109 325 L HA -0.144 4.197 4.340 0.002 0.000 0.207 325 L C 2.169 179.051 176.870 0.019 0.000 1.086 325 L CA 1.239 56.098 54.840 0.032 0.000 0.760 325 L CB -0.189 41.889 42.059 0.032 0.000 0.910 325 L HN 0.072 nan 8.230 nan 0.000 0.437 326 K N 0.198 120.615 120.400 0.029 0.000 2.057 326 K HA -0.078 4.243 4.320 0.002 0.000 0.206 326 K C 2.092 178.702 176.600 0.016 0.000 1.050 326 K CA 1.305 57.603 56.287 0.019 0.000 0.935 326 K CB -0.253 32.261 32.500 0.024 0.000 0.715 326 K HN 0.234 nan 8.250 nan 0.000 0.439 327 A N 0.648 123.483 122.820 0.025 0.000 2.172 327 A HA 0.059 4.380 4.320 0.002 0.000 0.216 327 A C 1.396 178.986 177.584 0.011 0.000 1.154 327 A CA 1.024 53.074 52.037 0.021 0.000 0.701 327 A CB -0.704 18.315 19.000 0.032 0.000 0.789 327 A HN 0.455 nan 8.150 nan 0.000 0.465 328 G N -0.608 108.195 108.800 0.005 0.000 2.221 328 G HA2 -0.275 3.686 3.960 0.002 0.000 0.265 328 G HA3 -0.275 3.686 3.960 0.002 0.000 0.265 328 G C 0.310 175.200 174.900 -0.016 0.000 1.041 328 G CA 0.633 45.727 45.100 -0.010 0.000 0.807 328 G HN 0.655 nan 8.290 nan 0.000 0.502 329 E N -1.295 118.902 120.200 -0.005 0.000 2.474 329 E HA 0.335 4.687 4.350 0.002 0.000 0.194 329 E C 1.072 177.640 176.600 -0.052 0.000 1.041 329 E CA 0.778 57.173 56.400 -0.009 0.000 0.874 329 E CB 0.579 30.296 29.700 0.028 0.000 0.914 329 E HN 0.983 nan 8.360 nan 0.000 0.498 330 V N -2.725 117.144 119.914 -0.074 0.000 3.232 330 V HA 0.714 4.835 4.120 0.002 0.000 0.303 330 V C -0.717 175.306 176.094 -0.119 0.000 1.311 330 V CA -0.867 61.329 62.300 -0.174 0.000 1.061 330 V CB 1.986 33.636 31.823 -0.288 0.000 1.085 330 V HN 0.003 nan 8.190 nan 0.000 0.447 331 S N 0.510 116.121 115.700 -0.147 0.000 2.638 331 S HA 0.876 5.347 4.470 0.002 0.000 0.274 331 S C -0.135 174.408 174.600 -0.094 0.000 1.157 331 S CA -0.240 57.904 58.200 -0.093 0.000 0.826 331 S CB 1.661 64.814 63.200 -0.078 0.000 1.139 331 S HN 2.496 nan 8.310 nan 0.000 0.474 332 A N 1.127 123.913 122.820 -0.056 0.000 3.003 332 A HA 0.467 4.788 4.320 0.002 0.000 0.301 332 A C 0.353 177.919 177.584 -0.030 0.000 1.280 332 A CA -0.539 51.476 52.037 -0.036 0.000 0.973 332 A CB -0.974 18.020 19.000 -0.009 0.000 1.110 332 A HN 0.816 nan 8.150 nan 0.000 0.590 333 E N -0.840 119.334 120.200 -0.043 0.000 2.301 333 E HA 0.514 4.865 4.350 0.002 0.000 0.275 333 E C 0.672 177.260 176.600 -0.021 0.000 1.030 333 E CA -0.273 56.107 56.400 -0.032 0.000 0.852 333 E CB 0.847 30.522 29.700 -0.040 0.000 1.060 333 E HN 0.801 nan 8.360 nan 0.000 0.401 334 G N 2.468 111.265 108.800 -0.006 0.000 2.132 334 G HA2 -0.214 3.748 3.960 0.002 0.000 0.228 334 G HA3 -0.214 3.748 3.960 0.002 0.000 0.228 334 G C -0.275 174.644 174.900 0.031 0.000 1.000 334 G CA 0.157 45.263 45.100 0.009 0.000 0.693 334 G HN 0.402 nan 8.290 nan 0.000 0.515 335 L N -0.867 120.377 121.223 0.035 0.000 2.381 335 L HA 0.735 5.076 4.340 0.002 0.000 0.268 335 L C 0.411 177.326 176.870 0.074 0.000 0.997 335 L CA -1.122 53.753 54.840 0.059 0.000 0.818 335 L CB 2.113 44.204 42.059 0.054 0.000 1.310 335 L HN 0.066 nan 8.230 nan 0.000 0.416 336 R N 2.761 123.323 120.500 0.102 0.000 2.445 336 R HA 0.713 5.054 4.340 0.002 0.000 0.308 336 R C -1.005 175.388 176.300 0.154 0.000 0.961 336 R CA -0.526 55.661 56.100 0.145 0.000 0.862 336 R CB 2.417 32.830 30.300 0.188 0.000 1.144 336 R HN 0.611 nan 8.270 nan 0.000 0.447 337 I N 0.240 120.926 120.570 0.193 0.000 2.582 337 I HA 0.462 4.633 4.170 0.002 0.000 0.292 337 I C -1.156 175.107 176.117 0.242 0.000 1.066 337 I CA -0.992 60.410 61.300 0.171 0.000 1.053 337 I CB 2.085 40.173 38.000 0.147 0.000 1.241 337 I HN 0.233 nan 8.210 nan 0.000 0.421 338 V N 7.393 127.393 119.914 0.144 0.000 2.432 338 V HA 0.349 4.470 4.120 0.002 0.000 0.275 338 V C 0.062 176.211 176.094 0.093 0.000 1.043 338 V CA -0.440 61.934 62.300 0.123 0.000 0.925 338 V CB 1.253 33.044 31.823 -0.052 0.000 0.985 338 V HN 0.604 nan 8.190 nan 0.000 0.466 339 L N 5.773 127.062 121.223 0.110 0.000 2.433 339 L HA 0.487 4.828 4.340 0.002 0.000 0.256 339 L C 0.119 176.872 176.870 -0.195 0.000 1.063 339 L CA -0.217 54.673 54.840 0.084 0.000 0.922 339 L CB 1.233 43.477 42.059 0.310 0.000 1.238 339 L HN 0.910 nan 8.230 nan 0.000 0.466 340 E N 3.569 123.651 120.200 -0.198 0.000 2.212 340 E HA 0.853 5.204 4.350 0.002 0.000 0.270 340 E C -1.236 175.217 176.600 -0.246 0.000 0.956 340 E CA -0.723 55.484 56.400 -0.321 0.000 0.825 340 E CB 2.544 32.126 29.700 -0.197 0.000 1.167 340 E HN 0.443 nan 8.360 nan 0.000 0.400 341 A N 1.922 124.567 122.820 -0.292 0.000 2.574 341 A HA 0.667 4.989 4.320 0.002 0.000 0.297 341 A C -0.330 177.216 177.584 -0.063 0.000 1.062 341 A CA -0.409 51.566 52.037 -0.103 0.000 0.686 341 A CB 1.565 20.513 19.000 -0.086 0.000 1.285 341 A HN 0.748 nan 8.150 nan 0.000 0.403 342 G N 0.206 109.033 108.800 0.045 0.000 2.420 342 G HA2 0.486 4.448 3.960 0.002 0.000 0.284 342 G HA3 0.486 4.448 3.960 0.002 0.000 0.284 342 G C 0.859 175.780 174.900 0.036 0.000 1.177 342 G CA 0.002 45.116 45.100 0.024 0.000 0.841 342 G HN 1.354 nan 8.290 nan 0.000 0.527 343 I N -0.524 120.057 120.570 0.018 0.000 2.716 343 I HA 0.090 4.261 4.170 0.002 0.000 0.259 343 I C 1.900 178.044 176.117 0.045 0.000 1.172 343 I CA 0.067 61.392 61.300 0.041 0.000 1.478 343 I CB -0.005 38.018 38.000 0.038 0.000 1.104 343 I HN 0.266 nan 8.210 nan 0.000 0.439 344 R N 2.514 123.032 120.500 0.030 0.000 2.339 344 R HA -0.000 4.341 4.340 0.002 0.000 0.199 344 R C -0.124 176.199 176.300 0.038 0.000 1.018 344 R CA 0.515 56.636 56.100 0.035 0.000 1.036 344 R CB -0.487 29.827 30.300 0.024 0.000 0.899 344 R HN 0.703 nan 8.270 nan 0.000 0.473 345 E N 1.088 121.324 120.200 0.059 0.000 2.489 345 E HA 0.310 4.661 4.350 0.002 0.000 0.232 345 E C -2.537 174.121 176.600 0.096 0.000 0.990 345 E CA -2.131 54.319 56.400 0.084 0.000 0.768 345 E CB 1.062 30.854 29.700 0.153 0.000 1.270 345 E HN -0.099 nan 8.360 nan 0.000 0.423 351 A N 1.747 124.723 122.820 0.260 0.000 1.930 351 A HA 0.069 4.391 4.320 0.002 0.000 0.215 351 A C 1.736 179.493 177.584 0.288 0.000 1.176 351 A CA 1.144 53.356 52.037 0.291 0.000 0.632 351 A CB -0.491 18.746 19.000 0.395 0.000 0.819 351 A HN 0.364 nan 8.150 nan 0.000 0.445 352 N N -0.174 118.738 118.700 0.353 0.000 2.270 352 N HA -0.135 4.606 4.740 0.002 0.000 0.181 352 N C 1.863 177.623 175.510 0.417 0.000 1.016 352 N CA 1.299 54.584 53.050 0.392 0.000 0.870 352 N CB -0.178 38.587 38.487 0.463 0.000 0.979 352 N HN 0.643 nan 8.380 nan 0.000 0.431 353 Q N 0.640 120.667 119.800 0.378 0.000 2.119 353 Q HA -0.000 4.341 4.340 0.002 0.000 0.201 353 Q C 2.156 178.212 176.000 0.092 0.000 0.972 353 Q CA 1.236 57.141 55.803 0.170 0.000 0.847 353 Q CB -0.099 28.746 28.738 0.177 0.000 0.903 353 Q HN 0.325 nan 8.270 nan 0.000 0.433 354 A N 1.204 124.093 122.820 0.115 0.000 1.902 354 A HA -0.191 4.131 4.320 0.002 0.000 0.217 354 A C 2.084 179.687 177.584 0.032 0.000 1.181 354 A CA 1.324 53.402 52.037 0.069 0.000 0.623 354 A CB -0.622 18.437 19.000 0.098 0.000 0.818 354 A HN 0.357 nan 8.150 nan 0.000 0.443 355 L N -1.563 119.675 121.223 0.024 0.000 2.046 355 L HA -0.135 4.207 4.340 0.002 0.000 0.208 355 L C 2.272 179.142 176.870 0.000 0.000 1.077 355 L CA 2.350 57.152 54.840 -0.063 0.000 0.747 355 L CB -0.999 40.878 42.059 -0.303 0.000 0.896 355 L HN 0.526 nan 8.230 nan 0.000 0.432 356 Y N 0.038 120.266 120.300 -0.120 0.000 2.114 356 Y HA -0.344 4.207 4.550 0.002 0.000 0.282 356 Y C 2.447 178.244 175.900 -0.172 0.000 1.165 356 Y CA 1.993 59.967 58.100 -0.209 0.000 1.148 356 Y CB -0.229 37.865 38.460 -0.609 0.000 0.972 356 Y HN 0.331 nan 8.280 nan 0.000 0.504 357 A N 0.002 122.705 122.820 -0.194 0.000 1.883 357 A HA -0.263 4.058 4.320 0.002 0.000 0.217 357 A C 2.042 179.536 177.584 -0.151 0.000 1.186 357 A CA 1.816 53.719 52.037 -0.223 0.000 0.624 357 A CB -0.770 18.152 19.000 -0.130 0.000 0.822 357 A HN 0.535 nan 8.150 nan 0.000 0.444 358 Q N -0.489 119.258 119.800 -0.088 0.000 2.234 358 Q HA -0.041 4.300 4.340 0.002 0.000 0.206 358 Q C 1.647 177.614 176.000 -0.054 0.000 0.980 358 Q CA 0.942 56.713 55.803 -0.053 0.000 0.869 358 Q CB -0.308 28.413 28.738 -0.028 0.000 0.912 358 Q HN 0.727 nan 8.270 nan 0.000 0.436 359 L N -0.411 120.757 121.223 -0.093 0.000 2.611 359 L HA -0.009 4.332 4.340 0.002 0.000 0.229 359 L C 1.792 178.584 176.870 -0.131 0.000 1.137 359 L CA -0.077 54.711 54.840 -0.086 0.000 0.901 359 L CB -0.334 41.701 42.059 -0.040 0.000 1.098 359 L HN 0.212 nan 8.230 nan 0.000 0.456 360 H N 2.089 121.011 119.070 -0.246 0.000 2.292 360 H HA -0.191 4.366 4.556 0.002 0.000 0.292 360 H C -0.621 174.609 175.328 -0.163 0.000 1.100 360 H CA 2.441 58.339 56.048 -0.251 0.000 1.238 360 H CB -0.909 28.729 29.762 -0.207 0.000 1.355 360 H HN 0.129 nan 8.280 nan 0.000 0.484 361 P HA -0.124 nan 4.420 nan 0.000 0.217 361 P C 0.467 177.645 177.300 -0.203 0.000 1.148 361 P CA 1.289 64.252 63.100 -0.228 0.000 0.828 361 P CB 0.184 31.824 31.700 -0.100 0.000 0.783 362 I N -1.129 119.350 120.570 -0.152 0.000 3.736 362 I HA 0.133 4.305 4.170 0.002 0.000 0.338 362 I C 1.305 177.367 176.117 -0.093 0.000 1.558 362 I CA -0.067 61.173 61.300 -0.100 0.000 1.147 362 I CB -0.517 37.454 38.000 -0.049 0.000 1.275 362 I HN -0.025 nan 8.210 nan 0.000 0.454 363 K N 0.939 121.242 120.400 -0.161 0.000 2.211 363 K HA -0.181 4.141 4.320 0.002 0.000 0.203 363 K C 1.686 178.247 176.600 -0.065 0.000 1.050 363 K CA 0.812 57.031 56.287 -0.113 0.000 0.945 363 K CB 0.316 32.694 32.500 -0.203 0.000 0.732 363 K HN 0.245 nan 8.250 nan 0.000 0.451 364 E N 0.977 121.120 120.200 -0.095 0.000 2.130 364 E HA -0.142 4.210 4.350 0.002 0.000 0.196 364 E C 0.623 177.172 176.600 -0.085 0.000 0.998 364 E CA 1.380 57.730 56.400 -0.083 0.000 0.806 364 E CB 0.112 29.765 29.700 -0.077 0.000 0.738 364 E HN -0.017 nan 8.360 nan 0.000 0.459 365 S N -0.534 115.134 115.700 -0.054 0.000 2.561 365 S HA 0.318 4.789 4.470 0.002 0.000 0.245 365 S C -0.220 174.391 174.600 0.018 0.000 1.001 365 S CA -0.352 57.831 58.200 -0.028 0.000 1.002 365 S CB 0.200 63.409 63.200 0.015 0.000 0.805 365 S HN 0.166 nan 8.310 nan 0.000 0.458 366 I N 1.887 122.461 120.570 0.007 0.000 2.411 366 I HA 0.359 4.530 4.170 0.002 0.000 0.284 366 I C -1.104 175.064 176.117 0.086 0.000 1.012 366 I CA -0.733 60.651 61.300 0.141 0.000 1.119 366 I CB 1.156 39.329 38.000 0.288 0.000 1.261 366 I HN 0.072 nan 8.210 nan 0.000 0.448 367 F N 5.919 125.953 119.950 0.139 0.000 2.487 367 F HA 0.034 4.562 4.527 0.002 0.000 0.364 367 F C 0.367 176.249 175.800 0.136 0.000 1.126 367 F CA -0.050 58.020 58.000 0.116 0.000 1.135 367 F CB 0.199 39.230 39.000 0.051 0.000 1.127 367 F HN 0.532 nan 8.300 nan 0.000 0.559 368 W N 6.884 128.206 121.300 0.037 0.000 2.308 368 W HA 0.360 5.021 4.660 0.002 0.000 0.311 368 W C -0.731 175.749 176.519 -0.066 0.000 1.088 368 W CA -0.940 56.324 57.345 -0.135 0.000 1.309 368 W CB 0.695 29.866 29.460 -0.481 0.000 1.229 368 W HN 0.396 nan 8.180 nan 0.000 0.427 369 R N 5.396 125.535 120.500 -0.603 0.000 2.423 369 R HA 0.078 4.419 4.340 0.002 0.000 0.293 369 R C -0.180 175.704 176.300 -0.694 0.000 1.196 369 R CA -0.527 55.288 56.100 -0.475 0.000 1.262 369 R CB 1.215 31.370 30.300 -0.243 0.000 1.116 369 R HN 0.575 nan 8.270 nan 0.000 0.566 370 Q N 2.454 121.820 119.800 -0.724 0.000 2.300 370 Q HA 0.173 4.514 4.340 0.002 0.000 0.262 370 Q C -0.760 175.124 176.000 -0.192 0.000 1.109 370 Q CA 0.037 55.592 55.803 -0.413 0.000 0.905 370 Q CB 0.749 29.417 28.738 -0.115 0.000 1.280 370 Q HN 0.227 nan 8.270 nan 0.000 0.426 371 V N 4.193 124.010 119.914 -0.161 0.000 2.667 371 V HA 0.056 4.177 4.120 0.002 0.000 0.308 371 V C 0.604 176.655 176.094 -0.071 0.000 1.048 371 V CA -0.592 61.645 62.300 -0.104 0.000 0.928 371 V CB 1.872 33.636 31.823 -0.100 0.000 1.004 371 V HN 0.856 nan 8.190 nan 0.000 0.444 372 D N 2.740 123.098 120.400 -0.070 0.000 2.133 372 D HA -0.093 4.548 4.640 0.002 0.000 0.195 372 D C 1.304 177.547 176.300 -0.095 0.000 0.997 372 D CA 1.659 55.619 54.000 -0.066 0.000 0.840 372 D CB -0.079 40.675 40.800 -0.077 0.000 0.947 372 D HN 0.715 nan 8.370 nan 0.000 0.452 373 G N -0.933 107.779 108.800 -0.146 0.000 2.479 373 G HA2 0.408 4.369 3.960 0.002 0.000 0.275 373 G HA3 0.408 4.369 3.960 0.002 0.000 0.275 373 G C 0.490 175.312 174.900 -0.130 0.000 1.421 373 G CA 0.190 45.166 45.100 -0.206 0.000 1.059 373 G HN 0.375 nan 8.290 nan 0.000 0.535 374 G N -2.629 106.068 108.800 -0.172 0.000 3.247 374 G HA2 0.384 4.346 3.960 0.002 0.000 0.199 374 G HA3 0.384 4.346 3.960 0.002 0.000 0.199 374 G C -0.833 173.975 174.900 -0.152 0.000 1.172 374 G CA -0.513 44.535 45.100 -0.086 0.000 0.844 374 G HN 0.661 nan 8.290 nan 0.000 0.619 375 H N 0.817 119.773 119.070 -0.189 0.000 2.998 375 H HA 0.440 4.997 4.556 0.002 0.000 0.241 375 H C -1.136 173.755 175.328 -0.728 0.000 1.852 375 H CA 0.084 55.976 56.048 -0.260 0.000 1.419 375 H CB -0.194 29.550 29.762 -0.030 0.000 1.793 375 H HN 0.210 nan 8.280 nan 0.000 0.553 376 D N 1.827 121.415 120.400 -1.353 0.000 2.736 376 D HA 0.195 4.836 4.640 0.002 0.000 0.243 376 D C 0.734 176.262 176.300 -1.287 0.000 1.304 376 D CA -0.198 53.184 54.000 -1.030 0.000 0.934 376 D CB 1.103 41.583 40.800 -0.533 0.000 1.382 376 D HN 0.416 nan 8.370 nan 0.000 0.571 377 A N 3.356 125.646 122.820 -0.884 0.000 2.076 377 A HA -0.140 4.181 4.320 0.002 0.000 0.220 377 A C 1.838 179.317 177.584 -0.175 0.000 1.160 377 A CA 0.948 52.808 52.037 -0.294 0.000 0.653 377 A CB -0.232 18.672 19.000 -0.160 0.000 0.801 377 A HN 0.546 nan 8.150 nan 0.000 0.455 378 L N -1.006 120.060 121.223 -0.261 0.000 2.313 378 L HA -0.046 4.296 4.340 0.002 0.000 0.214 378 L C 2.185 178.861 176.870 -0.323 0.000 1.119 378 L CA 1.648 56.307 54.840 -0.301 0.000 0.809 378 L CB -0.399 41.578 42.059 -0.137 0.000 0.933 378 L HN 0.457 nan 8.230 nan 0.000 0.449 379 C N -1.908 117.184 119.300 -0.347 0.000 2.500 379 C HA -0.066 4.395 4.460 0.002 0.000 0.279 379 C C 2.350 177.282 174.990 -0.096 0.000 1.288 379 C CA -0.333 58.515 59.018 -0.283 0.000 1.710 379 C CB -1.304 26.229 27.740 -0.346 0.000 2.052 379 C HN 0.702 nan 8.230 nan 0.000 0.488 380 W N 2.549 123.759 121.300 -0.151 0.000 2.321 380 W HA -0.180 4.482 4.660 0.002 0.000 0.306 380 W C 2.619 179.093 176.519 -0.076 0.000 1.217 380 W CA 1.804 59.095 57.345 -0.090 0.000 1.257 380 W CB -1.196 28.248 29.460 -0.027 0.000 1.145 380 W HN 0.513 nan 8.180 nan 0.000 0.509 381 R N -0.094 120.471 120.500 0.108 0.000 2.103 381 R HA -0.119 4.222 4.340 0.002 0.000 0.242 381 R C 2.427 178.738 176.300 0.019 0.000 1.142 381 R CA 1.962 58.009 56.100 -0.087 0.000 0.960 381 R CB -1.658 28.099 30.300 -0.905 0.000 0.858 381 R HN 0.077 nan 8.270 nan 0.000 0.439 382 G N 0.594 109.342 108.800 -0.087 0.000 2.552 382 G HA2 -0.248 3.713 3.960 0.002 0.000 0.216 382 G HA3 -0.248 3.713 3.960 0.002 0.000 0.216 382 G C 1.662 176.576 174.900 0.023 0.000 1.240 382 G CA 0.785 45.891 45.100 0.010 0.000 0.796 382 G HN 0.493 nan 8.290 nan 0.000 0.568 383 G N 0.310 109.104 108.800 -0.010 0.000 2.462 383 G HA2 0.044 4.005 3.960 0.002 0.000 0.220 383 G HA3 0.044 4.005 3.960 0.002 0.000 0.220 383 G C 0.985 175.827 174.900 -0.095 0.000 1.121 383 G CA 0.728 45.798 45.100 -0.049 0.000 0.758 383 G HN 0.462 nan 8.290 nan 0.000 0.559 387 G N 1.648 110.330 108.800 -0.196 0.000 2.421 387 G HA2 -0.191 3.770 3.960 0.002 0.000 0.216 387 G HA3 -0.191 3.770 3.960 0.002 0.000 0.216 387 G C 1.081 175.776 174.900 -0.342 0.000 1.171 387 G CA 1.239 46.171 45.100 -0.280 0.000 0.775 387 G HN 0.245 nan 8.290 nan 0.000 0.543 388 L N 0.706 121.732 121.223 -0.328 0.000 2.043 388 L HA -0.042 4.299 4.340 0.002 0.000 0.212 388 L C 2.839 179.579 176.870 -0.217 0.000 1.075 388 L CA 1.106 55.683 54.840 -0.437 0.000 0.752 388 L CB -0.798 41.068 42.059 -0.322 0.000 0.891 388 L HN 0.232 nan 8.230 nan 0.000 0.432 389 I N -0.808 119.710 120.570 -0.087 0.000 2.286 389 I HA -0.294 3.877 4.170 0.002 0.000 0.248 389 I C 1.960 178.067 176.117 -0.017 0.000 1.115 389 I CA 1.296 62.611 61.300 0.025 0.000 1.392 389 I CB -0.230 37.759 38.000 -0.018 0.000 1.065 389 I HN 0.316 nan 8.210 nan 0.000 0.418 390 D N 0.003 120.273 120.400 -0.216 0.000 2.213 390 D HA -0.057 4.584 4.640 0.002 0.000 0.205 390 D C 2.138 178.187 176.300 -0.418 0.000 0.961 390 D CA 0.733 54.491 54.000 -0.402 0.000 0.853 390 D CB 0.144 40.444 40.800 -0.833 0.000 0.967 390 D HN 0.144 nan 8.370 nan 0.000 0.496 391 L N 0.116 121.106 121.223 -0.388 0.000 2.017 391 L HA -0.124 4.218 4.340 0.002 0.000 0.208 391 L C 1.803 178.714 176.870 0.069 0.000 1.073 391 L CA 1.208 55.926 54.840 -0.204 0.000 0.745 391 L CB -0.952 40.890 42.059 -0.361 0.000 0.894 391 L HN 0.216 nan 8.230 nan 0.000 0.432 392 W N -0.664 120.663 121.300 0.045 0.000 3.345 392 W HA 0.110 4.771 4.660 0.002 0.000 0.282 392 W C 2.326 178.969 176.519 0.207 0.000 1.302 392 W CA -0.192 57.212 57.345 0.097 0.000 1.724 392 W CB -0.748 28.773 29.460 0.102 0.000 1.104 392 W HN 0.342 nan 8.180 nan 0.000 0.694 393 Q N 1.293 121.340 119.800 0.413 0.000 2.061 393 Q HA -0.164 4.177 4.340 0.002 0.000 0.204 393 Q C -0.520 175.750 176.000 0.449 0.000 0.984 393 Q CA 2.403 58.475 55.803 0.448 0.000 0.846 393 Q CB -1.160 27.750 28.738 0.285 0.000 0.902 393 Q HN 0.001 nan 8.270 nan 0.000 0.421 394 P HA -0.129 nan 4.420 nan 0.000 0.223 394 P C 0.455 177.859 177.300 0.172 0.000 1.144 394 P CA 0.794 64.030 63.100 0.227 0.000 0.783 394 P CB 0.067 31.842 31.700 0.125 0.000 0.771 395 L N -2.458 118.835 121.223 0.118 0.000 2.362 395 L HA -0.027 4.314 4.340 0.002 0.000 0.219 395 L C 0.937 177.714 176.870 -0.155 0.000 1.134 395 L CA 1.136 55.921 54.840 -0.091 0.000 0.807 395 L CB -1.310 40.583 42.059 -0.276 0.000 0.927 395 L HN -0.072 nan 8.230 nan 0.000 0.447 396 F N -1.092 118.961 119.950 0.171 0.000 2.606 396 F HA 0.271 4.799 4.527 0.002 0.000 0.347 396 F C 0.624 176.516 175.800 0.153 0.000 1.207 396 F CA -0.313 57.765 58.000 0.131 0.000 1.306 396 F CB -0.426 38.626 39.000 0.086 0.000 1.657 396 F HN 0.038 nan 8.300 nan 0.000 0.606 397 H N 0.000 119.139 119.070 0.115 0.000 2.539 397 H HA 0.000 4.557 4.556 0.002 0.000 0.296 397 H CA 0.000 56.098 56.048 0.084 0.000 1.023 397 H CB 0.000 29.798 29.762 0.061 0.000 1.292 397 H HN 0.000 nan 8.280 nan 0.000 0.496