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 1a12_1_B DATA FIRST_RESID 21 DATA SEQUENCE KKVKVSHRSH STEPGLVLTL GQGDVGQLGL GENVMERKKP ALVSIPEDVV DATA SEQUENCE QAEAGGMHTV CLSKSGQVYS FGCNDEGALG RDTSVEGSEM VPGKVELQEK DATA SEQUENCE VVQVSAGDSH TAALTDDGRV FLWGSFRDNN GVIGLLEPMK KSMVPVQVQL DATA SEQUENCE DVPVVKVASG NDHLVMLTAD GDLYTLGCGE QGQLGRVPEL FANRGGRQGL DATA SEQUENCE ERLLVPKCVM LKSRGSRGHV RFQDAFCGAY FTFAISHEGH VYGFGLSNYH DATA SEQUENCE QLGTPGTESC FIPQNLTSFK NSTKSWVGFS GGQHHTVCMD SEGKAYSLGR DATA SEQUENCE AEYGRLGLGE GAEEKSIPTL ISRLPAVSSV ACGASVGYAV TKDGRVFAWG DATA SEQUENCE MGTNYQLGTG QDEDAWSPVE MMGKQLENRV VLSVSSGGQH TVLLVKDKEQ DATA SEQUENCE S 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 21 K HA 0.000 nan 4.320 nan 0.000 0.191 21 K C 0.000 176.611 176.600 0.018 0.000 0.988 21 K CA 0.000 56.296 56.287 0.015 0.000 0.838 21 K CB 0.000 32.508 32.500 0.014 0.000 1.064 22 K N 1.154 121.566 120.400 0.021 0.000 4.971 22 K HA -0.167 4.159 4.320 0.010 0.000 0.296 22 K C -0.941 175.675 176.600 0.027 0.000 0.724 22 K CA 0.188 56.490 56.287 0.025 0.000 0.844 22 K CB -1.242 31.272 32.500 0.024 0.000 1.993 22 K HN 0.244 nan 8.250 nan 0.000 0.384 23 V N 3.857 123.789 119.914 0.029 0.000 2.318 23 V HA 0.115 4.241 4.120 0.010 0.000 0.271 23 V C 0.564 176.682 176.094 0.039 0.000 1.030 23 V CA -0.507 61.811 62.300 0.031 0.000 0.844 23 V CB 1.033 32.872 31.823 0.027 0.000 1.015 23 V HN 0.399 nan 8.190 nan 0.000 0.460 24 K N 2.950 123.376 120.400 0.044 0.000 2.107 24 K HA 0.686 5.012 4.320 0.010 0.000 0.251 24 K C -0.262 176.377 176.600 0.065 0.000 1.012 24 K CA -0.466 55.856 56.287 0.057 0.000 0.920 24 K CB 1.783 34.318 32.500 0.058 0.000 1.033 24 K HN 0.584 nan 8.250 nan 0.000 0.478 25 V N -2.452 117.515 119.914 0.089 0.000 2.864 25 V HA 0.728 4.854 4.120 0.010 0.000 0.314 25 V C -0.478 175.701 176.094 0.141 0.000 1.073 25 V CA -0.640 61.722 62.300 0.103 0.000 0.956 25 V CB 1.831 33.719 31.823 0.108 0.000 1.023 25 V HN 0.719 nan 8.190 nan 0.000 0.435 26 S N 0.555 116.309 115.700 0.090 0.000 2.697 26 S HA 0.742 5.218 4.470 0.010 0.000 0.289 26 S C -1.328 173.169 174.600 -0.172 0.000 1.149 26 S CA -0.435 57.778 58.200 0.021 0.000 0.850 26 S CB 1.662 64.877 63.200 0.024 0.000 1.151 26 S HN 1.293 nan 8.310 nan 0.000 0.491 27 H N 0.339 119.037 119.070 -0.620 0.000 3.060 27 H HA 0.302 4.864 4.556 0.011 0.000 0.330 27 H C 0.403 175.534 175.328 -0.329 0.000 1.305 27 H CA -0.371 55.371 56.048 -0.510 0.000 1.209 27 H CB 1.240 30.623 29.762 -0.631 0.000 1.913 27 H HN 0.807 nan 8.280 nan 0.000 0.534 28 R N 0.553 120.665 120.500 -0.648 0.000 2.237 28 R HA -0.055 4.292 4.340 0.010 0.000 0.219 28 R C 1.136 177.389 176.300 -0.078 0.000 1.080 28 R CA 1.571 57.498 56.100 -0.289 0.000 0.995 28 R CB -0.116 30.025 30.300 -0.265 0.000 0.875 28 R HN 0.336 nan 8.270 nan 0.000 0.462 29 S N -0.102 115.641 115.700 0.072 0.000 2.489 29 S HA -0.049 4.427 4.470 0.010 0.000 0.228 29 S C 0.468 175.250 174.600 0.303 0.000 0.995 29 S CA -0.341 58.013 58.200 0.257 0.000 0.934 29 S CB -0.530 62.897 63.200 0.377 0.000 0.771 29 S HN 0.452 nan 8.310 nan 0.000 0.522 30 H N 1.622 120.776 119.070 0.140 0.000 2.732 30 H HA 0.345 4.907 4.556 0.009 0.000 0.351 30 H C -0.200 175.171 175.328 0.072 0.000 1.090 30 H CA -0.308 55.799 56.048 0.098 0.000 1.431 30 H CB 0.644 30.463 29.762 0.096 0.000 1.447 30 H HN 0.207 nan 8.280 nan 0.000 0.582 31 S N 1.073 116.874 115.700 0.168 0.000 2.489 31 S HA 0.130 4.607 4.470 0.010 0.000 0.291 31 S C 0.929 175.580 174.600 0.085 0.000 1.151 31 S CA -0.677 57.586 58.200 0.105 0.000 1.082 31 S CB 1.479 64.723 63.200 0.073 0.000 1.019 31 S HN 0.876 nan 8.310 nan 0.000 0.492 32 T N -1.731 112.866 114.554 0.072 0.000 3.041 32 T HA 0.222 4.578 4.350 0.010 0.000 0.276 32 T C 0.057 174.784 174.700 0.046 0.000 0.948 32 T CA -0.368 61.769 62.100 0.061 0.000 0.885 32 T CB -0.122 68.786 68.868 0.065 0.000 1.175 32 T HN 0.523 nan 8.240 nan 0.000 0.529 33 E N 4.446 124.671 120.200 0.042 0.000 2.223 33 E HA 0.327 4.684 4.350 0.010 0.000 0.282 33 E C -2.431 174.186 176.600 0.029 0.000 1.046 33 E CA -2.374 54.046 56.400 0.033 0.000 0.857 33 E CB 0.823 30.542 29.700 0.032 0.000 1.055 33 E HN 0.187 nan 8.360 nan 0.000 0.409 34 P HA 0.174 nan 4.420 nan 0.000 0.268 34 P C -0.353 176.955 177.300 0.014 0.000 1.204 34 P CA -0.057 63.055 63.100 0.020 0.000 0.768 34 P CB 1.424 33.134 31.700 0.018 0.000 0.842 35 G N 1.831 110.637 108.800 0.010 0.000 2.749 35 G HA2 0.605 4.571 3.960 0.010 0.000 0.300 35 G HA3 0.605 4.571 3.960 0.010 0.000 0.300 35 G C -1.688 173.210 174.900 -0.004 0.000 1.352 35 G CA -0.840 44.263 45.100 0.004 0.000 0.789 35 G HN 0.411 nan 8.290 nan 0.000 0.509 36 L N -0.146 121.073 121.223 -0.008 0.000 2.330 36 L HA 0.672 5.018 4.340 0.010 0.000 0.271 36 L C -0.320 176.544 176.870 -0.009 0.000 1.013 36 L CA -1.214 53.617 54.840 -0.016 0.000 0.816 36 L CB 2.173 44.221 42.059 -0.020 0.000 1.287 36 L HN 0.213 nan 8.230 nan 0.000 0.435 37 V N 3.393 123.302 119.914 -0.008 0.000 2.427 37 V HA 0.453 4.579 4.120 0.010 0.000 0.286 37 V C -0.015 176.082 176.094 0.006 0.000 1.034 37 V CA -0.397 61.912 62.300 0.014 0.000 0.893 37 V CB 1.577 33.435 31.823 0.058 0.000 0.982 37 V HN 0.455 nan 8.190 nan 0.000 0.452 38 L N 4.675 125.903 121.223 0.009 0.000 2.362 38 L HA 0.807 5.153 4.340 0.010 0.000 0.271 38 L C 0.072 176.956 176.870 0.025 0.000 1.002 38 L CA -0.445 54.397 54.840 0.003 0.000 0.818 38 L CB 2.437 44.490 42.059 -0.010 0.000 1.298 38 L HN 0.761 nan 8.230 nan 0.000 0.420 39 T N 0.568 115.143 114.554 0.036 0.000 2.916 39 T HA 0.873 5.229 4.350 0.010 0.000 0.292 39 T C -0.639 174.093 174.700 0.053 0.000 1.055 39 T CA -0.790 61.353 62.100 0.073 0.000 1.009 39 T CB 2.232 71.192 68.868 0.152 0.000 1.118 39 T HN 0.639 nan 8.240 nan 0.000 0.497 40 L N -1.557 119.708 121.223 0.072 0.000 2.600 40 L HA 0.903 5.250 4.340 0.010 0.000 0.257 40 L C 0.189 177.131 176.870 0.120 0.000 1.048 40 L CA -0.641 54.242 54.840 0.073 0.000 0.869 40 L CB 1.324 43.417 42.059 0.058 0.000 1.482 40 L HN 1.384 nan 8.230 nan 0.000 0.408 41 G N 0.498 109.376 108.800 0.129 0.000 2.451 41 G HA2 -0.053 3.913 3.960 0.010 0.000 0.208 41 G HA3 -0.053 3.913 3.960 0.010 0.000 0.208 41 G C -1.212 173.772 174.900 0.140 0.000 1.248 41 G CA -0.388 44.815 45.100 0.171 0.000 0.989 41 G HN 0.812 nan 8.290 nan 0.000 0.559 42 Q N 0.737 120.626 119.800 0.148 0.000 2.299 42 Q HA 0.541 4.887 4.340 0.010 0.000 0.246 42 Q C 0.829 176.862 176.000 0.054 0.000 0.935 42 Q CA 0.496 56.357 55.803 0.097 0.000 0.887 42 Q CB 1.232 30.027 28.738 0.096 0.000 1.223 42 Q HN 1.599 nan 8.270 nan 0.000 0.439 43 G N 1.268 110.083 108.800 0.026 0.000 4.424 43 G HA2 0.124 4.091 3.960 0.010 0.000 0.287 43 G HA3 0.124 4.091 3.960 0.010 0.000 0.287 43 G C -0.042 174.858 174.900 0.001 0.000 1.023 43 G CA -0.350 44.752 45.100 0.003 0.000 0.790 43 G HN 0.474 nan 8.290 nan 0.000 0.468 44 D N 0.349 120.754 120.400 0.007 0.000 2.178 44 D HA -0.090 4.556 4.640 0.010 0.000 0.201 44 D C 2.403 178.708 176.300 0.009 0.000 0.980 44 D CA 1.597 55.603 54.000 0.010 0.000 0.842 44 D CB 0.291 41.101 40.800 0.017 0.000 0.948 44 D HN 0.391 nan 8.370 nan 0.000 0.472 45 V N -3.560 116.357 119.914 0.005 0.000 3.271 45 V HA 0.624 4.750 4.120 0.010 0.000 0.327 45 V C 1.254 177.362 176.094 0.023 0.000 1.389 45 V CA 0.128 62.435 62.300 0.012 0.000 1.156 45 V CB -0.064 31.767 31.823 0.012 0.000 1.103 45 V HN 0.265 nan 8.190 nan 0.000 0.453 46 G N 1.500 110.315 108.800 0.025 0.000 2.157 46 G HA2 -0.296 3.670 3.960 0.010 0.000 0.239 46 G HA3 -0.296 3.670 3.960 0.010 0.000 0.239 46 G C 0.888 175.868 174.900 0.134 0.000 0.982 46 G CA 0.499 45.637 45.100 0.064 0.000 0.650 46 G HN 0.773 nan 8.290 nan 0.000 0.527 47 Q N 0.236 120.053 119.800 0.029 0.000 2.369 47 Q HA 0.123 4.469 4.340 0.010 0.000 0.206 47 Q C 2.376 178.465 176.000 0.148 0.000 0.963 47 Q CA 1.295 57.062 55.803 -0.059 0.000 0.894 47 Q CB -0.235 28.141 28.738 -0.603 0.000 0.965 47 Q HN 0.609 nan 8.270 nan 0.000 0.475 48 L N 0.282 121.581 121.223 0.126 0.000 2.313 48 L HA 0.129 4.475 4.340 0.010 0.000 0.214 48 L C 1.289 178.164 176.870 0.009 0.000 1.119 48 L CA 0.604 55.529 54.840 0.142 0.000 0.809 48 L CB -0.508 41.579 42.059 0.046 0.000 0.933 48 L HN 0.464 nan 8.230 nan 0.000 0.449 49 G N 0.805 109.529 108.800 -0.127 0.000 2.221 49 G HA2 -0.285 3.682 3.960 0.010 0.000 0.265 49 G HA3 -0.285 3.682 3.960 0.010 0.000 0.265 49 G C 0.482 175.121 174.900 -0.435 0.000 1.041 49 G CA 0.246 44.937 45.100 -0.681 0.000 0.807 49 G HN 0.366 nan 8.290 nan 0.000 0.502 50 L N -0.146 120.950 121.223 -0.210 0.000 2.910 50 L HA 0.517 4.863 4.340 0.010 0.000 0.252 50 L C 1.499 178.306 176.870 -0.105 0.000 1.195 50 L CA 0.202 54.953 54.840 -0.149 0.000 1.003 50 L CB -0.148 41.852 42.059 -0.099 0.000 1.328 50 L HN 1.045 nan 8.230 nan 0.000 0.540 51 G N 0.522 109.262 108.800 -0.100 0.000 2.757 51 G HA2 -0.220 3.746 3.960 0.010 0.000 0.638 51 G HA3 -0.220 3.746 3.960 0.010 0.000 0.638 51 G C 0.220 175.096 174.900 -0.041 0.000 1.344 51 G CA -0.272 44.790 45.100 -0.064 0.000 0.855 51 G HN 0.295 nan 8.290 nan 0.000 0.537 52 E N 0.179 120.362 120.200 -0.029 0.000 2.268 52 E HA -0.077 4.279 4.350 0.010 0.000 0.195 52 E C 1.947 178.535 176.600 -0.020 0.000 0.995 52 E CA 0.948 57.337 56.400 -0.019 0.000 0.836 52 E CB -0.033 29.659 29.700 -0.014 0.000 0.763 52 E HN 0.399 nan 8.360 nan 0.000 0.491 53 N N 0.246 118.930 118.700 -0.026 0.000 2.424 53 N HA -0.016 4.731 4.740 0.010 0.000 0.178 53 N C -0.175 175.319 175.510 -0.028 0.000 1.060 53 N CA 0.397 53.431 53.050 -0.025 0.000 0.901 53 N CB 0.886 39.356 38.487 -0.027 0.000 0.979 53 N HN -0.069 nan 8.380 nan 0.000 0.451 54 V N 2.537 122.431 119.914 -0.032 0.000 2.293 54 V HA 0.244 4.370 4.120 0.010 0.000 0.275 54 V C 0.839 176.918 176.094 -0.026 0.000 1.021 54 V CA -0.145 62.135 62.300 -0.034 0.000 0.815 54 V CB 1.400 33.198 31.823 -0.041 0.000 1.025 54 V HN 0.052 nan 8.190 nan 0.000 0.448 55 M N 2.240 121.827 119.600 -0.022 0.000 2.465 55 M HA 0.335 4.821 4.480 0.010 0.000 0.249 55 M C 0.562 176.857 176.300 -0.009 0.000 1.130 55 M CA 0.619 55.912 55.300 -0.012 0.000 1.067 55 M CB 0.065 32.660 32.600 -0.008 0.000 1.394 55 M HN 0.750 nan 8.290 nan 0.000 0.483 56 E N 0.538 120.722 120.200 -0.027 0.000 2.363 56 E HA 0.403 4.760 4.350 0.010 0.000 0.281 56 E C -1.198 175.362 176.600 -0.067 0.000 0.953 56 E CA -0.528 55.849 56.400 -0.039 0.000 0.778 56 E CB 2.246 31.904 29.700 -0.070 0.000 1.220 56 E HN -0.054 nan 8.360 nan 0.000 0.431 57 R N 3.345 123.812 120.500 -0.054 0.000 2.515 57 R HA 0.297 4.643 4.340 0.010 0.000 0.291 57 R C 0.054 176.320 176.300 -0.057 0.000 1.046 57 R CA -0.571 55.490 56.100 -0.064 0.000 0.914 57 R CB 1.631 31.918 30.300 -0.022 0.000 1.191 57 R HN 0.607 nan 8.270 nan 0.000 0.435 58 K N 0.932 121.261 120.400 -0.118 0.000 2.166 58 K HA 0.132 4.459 4.320 0.010 0.000 0.201 58 K C 0.298 176.913 176.600 0.024 0.000 1.052 58 K CA 0.756 56.974 56.287 -0.114 0.000 0.969 58 K CB 0.465 32.826 32.500 -0.232 0.000 0.761 58 K HN 0.140 nan 8.250 nan 0.000 0.459 59 K N 0.592 120.991 120.400 -0.002 0.000 2.395 59 K HA 0.387 4.713 4.320 0.010 0.000 0.247 59 K C -2.827 173.776 176.600 0.006 0.000 0.973 59 K CA -2.582 53.713 56.287 0.013 0.000 0.828 59 K CB 1.366 33.867 32.500 0.001 0.000 1.272 59 K HN -0.276 nan 8.250 nan 0.000 0.439 60 P HA 0.056 nan 4.420 nan 0.000 0.265 60 P C -1.237 176.057 177.300 -0.009 0.000 1.193 60 P CA 0.220 63.321 63.100 0.001 0.000 0.765 60 P CB 0.559 32.256 31.700 -0.005 0.000 0.823 61 A N 3.443 126.256 122.820 -0.011 0.000 2.401 61 A HA 0.569 4.895 4.320 0.010 0.000 0.310 61 A C -0.991 176.576 177.584 -0.029 0.000 1.075 61 A CA -0.787 51.236 52.037 -0.023 0.000 0.746 61 A CB 0.782 19.765 19.000 -0.030 0.000 1.277 61 A HN 0.526 nan 8.150 nan 0.000 0.425 62 L N 2.445 123.646 121.223 -0.037 0.000 2.410 62 L HA 0.424 4.770 4.340 0.010 0.000 0.273 62 L C -0.437 176.390 176.870 -0.071 0.000 1.152 62 L CA 0.484 55.297 54.840 -0.045 0.000 0.855 62 L CB 0.845 42.877 42.059 -0.044 0.000 1.129 62 L HN 0.385 nan 8.230 nan 0.000 0.463 63 V N 5.104 124.969 119.914 -0.081 0.000 2.318 63 V HA 0.305 4.432 4.120 0.010 0.000 0.271 63 V C 0.216 176.228 176.094 -0.137 0.000 1.030 63 V CA -0.454 61.759 62.300 -0.145 0.000 0.844 63 V CB 0.722 32.436 31.823 -0.182 0.000 1.015 63 V HN 0.934 nan 8.190 nan 0.000 0.460 64 S N 6.483 122.100 115.700 -0.138 0.000 2.481 64 S HA 0.673 5.149 4.470 0.010 0.000 0.276 64 S C -0.483 174.022 174.600 -0.159 0.000 1.247 64 S CA -0.426 57.700 58.200 -0.123 0.000 1.053 64 S CB 0.365 63.507 63.200 -0.097 0.000 0.925 64 S HN 0.518 nan 8.310 nan 0.000 0.491 65 I N 3.732 124.195 120.570 -0.178 0.000 2.608 65 I HA 0.348 4.524 4.170 0.010 0.000 0.295 65 I C -1.722 174.266 176.117 -0.215 0.000 1.049 65 I CA -2.506 58.623 61.300 -0.285 0.000 1.063 65 I CB 2.627 40.382 38.000 -0.408 0.000 1.248 65 I HN 0.463 nan 8.210 nan 0.000 0.424 66 P HA 0.154 nan 4.420 nan 0.000 0.256 66 P C -0.476 176.790 177.300 -0.056 0.000 1.335 66 P CA 0.551 63.602 63.100 -0.082 0.000 0.808 66 P CB 0.235 31.922 31.700 -0.021 0.000 1.305 67 E N -0.486 119.658 120.200 -0.094 0.000 2.430 67 E HA 0.254 4.610 4.350 0.010 0.000 0.279 67 E C -1.102 175.466 176.600 -0.053 0.000 1.003 67 E CA -0.939 55.439 56.400 -0.038 0.000 0.801 67 E CB 1.044 30.760 29.700 0.027 0.000 1.313 67 E HN -0.079 nan 8.360 nan 0.000 0.459 68 D N 0.839 121.230 120.400 -0.015 0.000 2.339 68 D HA 0.260 4.907 4.640 0.010 0.000 0.245 68 D C -0.567 175.735 176.300 0.004 0.000 1.115 68 D CA -0.000 53.994 54.000 -0.010 0.000 0.917 68 D CB 1.444 42.247 40.800 0.004 0.000 1.192 68 D HN -0.030 nan 8.370 nan 0.000 0.428 69 V N 1.553 121.470 119.914 0.004 0.000 2.555 69 V HA 0.148 4.274 4.120 0.010 0.000 0.302 69 V C 1.244 177.355 176.094 0.029 0.000 1.038 69 V CA -0.631 61.683 62.300 0.024 0.000 0.887 69 V CB 1.871 33.705 31.823 0.019 0.000 0.991 69 V HN 0.488 nan 8.190 nan 0.000 0.434 70 V N 1.126 121.063 119.914 0.039 0.000 3.565 70 V HA 0.360 4.486 4.120 0.010 0.000 0.260 70 V C 0.333 176.447 176.094 0.032 0.000 1.231 70 V CA 0.567 62.888 62.300 0.036 0.000 1.100 70 V CB -0.001 31.846 31.823 0.041 0.000 0.807 70 V HN 0.830 nan 8.190 nan 0.000 0.454 71 Q N 0.216 120.034 119.800 0.030 0.000 2.340 71 Q HA 0.745 5.092 4.340 0.010 0.000 0.276 71 Q C -1.738 174.267 176.000 0.010 0.000 1.048 71 Q CA -0.156 55.657 55.803 0.017 0.000 0.832 71 Q CB 2.458 31.203 28.738 0.012 0.000 1.373 71 Q HN 0.534 nan 8.270 nan 0.000 0.409 72 A N 3.458 126.270 122.820 -0.013 0.000 2.446 72 A HA 0.571 4.897 4.320 0.010 0.000 0.282 72 A C -1.356 176.180 177.584 -0.080 0.000 1.102 72 A CA -0.621 51.397 52.037 -0.030 0.000 0.737 72 A CB 1.378 20.373 19.000 -0.008 0.000 1.212 72 A HN 0.606 nan 8.150 nan 0.000 0.434 73 E N 1.116 121.245 120.200 -0.119 0.000 2.212 73 E HA 0.626 4.982 4.350 0.010 0.000 0.268 73 E C -0.488 175.969 176.600 -0.239 0.000 0.902 73 E CA -0.562 55.737 56.400 -0.169 0.000 0.779 73 E CB 2.313 31.913 29.700 -0.167 0.000 1.172 73 E HN 0.760 nan 8.360 nan 0.000 0.409 74 A N 2.286 124.946 122.820 -0.267 0.000 2.260 74 A HA 0.644 4.970 4.320 0.010 0.000 0.314 74 A C 0.519 177.908 177.584 -0.325 0.000 1.257 74 A CA -0.122 51.728 52.037 -0.312 0.000 0.871 74 A CB 0.737 19.422 19.000 -0.524 0.000 1.166 74 A HN 0.568 nan 8.150 nan 0.000 0.522 75 G N 1.212 109.735 108.800 -0.462 0.000 2.510 75 G HA2 0.423 4.389 3.960 0.010 0.000 0.280 75 G HA3 0.423 4.389 3.960 0.010 0.000 0.280 75 G C 1.085 175.944 174.900 -0.068 0.000 1.386 75 G CA 0.083 44.926 45.100 -0.428 0.000 1.047 75 G HN 1.009 nan 8.290 nan 0.000 0.527 76 G N -0.910 107.923 108.800 0.055 0.000 2.433 76 G HA2 -0.061 3.905 3.960 0.010 0.000 0.216 76 G HA3 -0.061 3.905 3.960 0.010 0.000 0.216 76 G C 1.054 176.050 174.900 0.160 0.000 1.186 76 G CA 0.864 46.025 45.100 0.102 0.000 0.779 76 G HN 0.348 nan 8.290 nan 0.000 0.543 77 M N 1.125 120.830 119.600 0.175 0.000 2.848 77 M HA 0.262 4.748 4.480 0.010 0.000 0.420 77 M C -0.415 175.918 176.300 0.054 0.000 1.304 77 M CA -0.147 55.193 55.300 0.068 0.000 0.844 77 M CB 0.295 32.931 32.600 0.060 0.000 1.451 77 M HN 0.548 nan 8.290 nan 0.000 0.511 78 H N -1.690 117.326 119.070 -0.090 0.000 2.966 78 H HA 0.713 5.276 4.556 0.011 0.000 0.330 78 H C -1.661 173.594 175.328 -0.121 0.000 1.292 78 H CA -0.508 55.459 56.048 -0.134 0.000 1.127 78 H CB 1.164 30.872 29.762 -0.090 0.000 1.863 78 H HN -0.097 nan 8.280 nan 0.000 0.543 79 T N 1.431 115.731 114.554 -0.423 0.000 2.921 79 T HA 0.456 4.812 4.350 0.010 0.000 0.297 79 T C -0.787 173.538 174.700 -0.625 0.000 1.013 79 T CA -0.590 61.148 62.100 -0.604 0.000 0.990 79 T CB 1.685 70.062 68.868 -0.818 0.000 1.023 79 T HN 0.466 nan 8.240 nan 0.000 0.447 80 V N 2.120 121.813 119.914 -0.368 0.000 2.487 80 V HA 0.552 4.678 4.120 0.010 0.000 0.298 80 V C -0.338 175.711 176.094 -0.076 0.000 1.028 80 V CA -0.747 61.462 62.300 -0.151 0.000 0.860 80 V CB 1.520 33.305 31.823 -0.063 0.000 0.991 80 V HN 1.073 nan 8.190 nan 0.000 0.427 81 C N 5.488 124.816 119.300 0.046 0.000 2.507 81 C HA 0.751 5.217 4.460 0.010 0.000 0.319 81 C C -0.335 174.755 174.990 0.166 0.000 1.208 81 C CA -0.684 58.399 59.018 0.108 0.000 1.619 81 C CB 1.294 29.139 27.740 0.175 0.000 2.230 81 C HN 0.777 nan 8.230 nan 0.000 0.492 82 L N 3.604 124.897 121.223 0.117 0.000 2.325 82 L HA 0.609 4.956 4.340 0.010 0.000 0.281 82 L C 0.474 177.418 176.870 0.124 0.000 1.004 82 L CA 0.373 55.286 54.840 0.121 0.000 0.823 82 L CB 1.402 43.497 42.059 0.060 0.000 1.236 82 L HN 0.876 nan 8.230 nan 0.000 0.415 83 S N 3.126 118.930 115.700 0.174 0.000 2.624 83 S HA 0.253 4.730 4.470 0.010 0.000 0.263 83 S C 1.015 175.667 174.600 0.087 0.000 1.287 83 S CA -0.067 58.219 58.200 0.143 0.000 0.990 83 S CB 1.010 64.347 63.200 0.229 0.000 0.950 83 S HN 0.689 nan 8.310 nan 0.000 0.561 84 K N 0.983 121.423 120.400 0.066 0.000 2.211 84 K HA -0.059 4.267 4.320 0.010 0.000 0.203 84 K C 2.001 178.630 176.600 0.048 0.000 1.050 84 K CA 1.778 58.095 56.287 0.050 0.000 0.945 84 K CB -0.760 31.764 32.500 0.039 0.000 0.732 84 K HN 0.737 nan 8.250 nan 0.000 0.451 85 S N -1.552 114.180 115.700 0.054 0.000 2.593 85 S HA 0.195 4.671 4.470 0.010 0.000 0.217 85 S C 1.168 175.788 174.600 0.034 0.000 0.966 85 S CA 0.228 58.453 58.200 0.042 0.000 0.914 85 S CB 0.023 63.248 63.200 0.043 0.000 0.776 85 S HN 0.499 nan 8.310 nan 0.000 0.523 86 G N 0.368 109.192 108.800 0.040 0.000 2.131 86 G HA2 -0.203 3.763 3.960 0.010 0.000 0.201 86 G HA3 -0.203 3.763 3.960 0.010 0.000 0.201 86 G C -0.290 174.614 174.900 0.006 0.000 1.000 86 G CA -0.040 45.073 45.100 0.021 0.000 0.680 86 G HN 0.702 nan 8.290 nan 0.000 0.514 87 Q N 0.692 120.509 119.800 0.029 0.000 2.278 87 Q HA 0.628 4.974 4.340 0.010 0.000 0.257 87 Q C 0.100 176.086 176.000 -0.023 0.000 0.928 87 Q CA -0.597 55.182 55.803 -0.041 0.000 0.932 87 Q CB 1.671 30.380 28.738 -0.049 0.000 1.221 87 Q HN 0.372 nan 8.270 nan 0.000 0.434 88 V N 5.652 125.500 119.914 -0.111 0.000 2.546 88 V HA 0.343 4.470 4.120 0.010 0.000 0.284 88 V C -0.692 175.302 176.094 -0.166 0.000 1.050 88 V CA -0.334 61.956 62.300 -0.017 0.000 0.981 88 V CB 0.303 32.166 31.823 0.067 0.000 0.990 88 V HN 0.717 nan 8.190 nan 0.000 0.474 89 Y N 2.068 122.418 120.300 0.082 0.000 2.485 89 Y HA 0.687 5.243 4.550 0.011 0.000 0.345 89 Y C 0.389 176.363 175.900 0.124 0.000 0.998 89 Y CA -0.505 57.662 58.100 0.112 0.000 1.059 89 Y CB 2.412 40.961 38.460 0.148 0.000 1.234 89 Y HN 0.717 nan 8.280 nan 0.000 0.461 90 S N 2.112 117.996 115.700 0.305 0.000 2.556 90 S HA 0.907 5.383 4.470 0.010 0.000 0.271 90 S C -1.454 173.326 174.600 0.301 0.000 1.135 90 S CA -0.821 57.478 58.200 0.165 0.000 0.858 90 S CB 1.816 65.126 63.200 0.183 0.000 1.114 90 S HN 0.628 nan 8.310 nan 0.000 0.468 91 F N -1.560 118.474 119.950 0.140 0.000 2.665 91 F HA 0.941 5.473 4.527 0.009 0.000 0.308 91 F C 0.185 176.037 175.800 0.086 0.000 1.112 91 F CA -0.022 58.032 58.000 0.089 0.000 0.972 91 F CB 1.143 40.178 39.000 0.057 0.000 1.295 91 F HN 1.375 nan 8.300 nan 0.000 0.440 92 G N -0.433 108.508 108.800 0.236 0.000 2.280 92 G HA2 0.122 4.088 3.960 0.010 0.000 0.277 92 G HA3 0.122 4.088 3.960 0.010 0.000 0.277 92 G C -1.457 173.492 174.900 0.082 0.000 1.288 92 G CA -0.569 44.607 45.100 0.127 0.000 1.075 92 G HN 1.379 nan 8.290 nan 0.000 0.480 93 C N 0.781 120.113 119.300 0.053 0.000 2.629 93 C HA 0.623 5.089 4.460 0.010 0.000 0.410 93 C C 1.332 176.314 174.990 -0.014 0.000 1.339 93 C CA 0.523 59.552 59.018 0.019 0.000 1.810 93 C CB -0.462 27.287 27.740 0.015 0.000 2.549 93 C HN 0.755 nan 8.230 nan 0.000 0.589 94 N N 2.447 121.143 118.700 -0.005 0.000 2.235 94 N HA 0.149 4.895 4.740 0.010 0.000 0.231 94 N C 0.853 176.354 175.510 -0.015 0.000 1.177 94 N CA 0.051 53.091 53.050 -0.016 0.000 0.874 94 N CB 0.004 38.492 38.487 0.001 0.000 1.097 94 N HN 0.696 nan 8.380 nan 0.000 0.518 95 D N 0.224 120.617 120.400 -0.012 0.000 2.178 95 D HA -0.089 4.557 4.640 0.010 0.000 0.201 95 D C 0.970 177.264 176.300 -0.010 0.000 0.980 95 D CA 1.100 55.096 54.000 -0.006 0.000 0.842 95 D CB 0.304 41.105 40.800 0.002 0.000 0.948 95 D HN 0.310 nan 8.370 nan 0.000 0.472 96 E N -0.900 119.287 120.200 -0.022 0.000 2.481 96 E HA 0.222 4.578 4.350 0.010 0.000 0.198 96 E C 1.245 177.830 176.600 -0.024 0.000 1.027 96 E CA 0.332 56.717 56.400 -0.025 0.000 0.900 96 E CB 0.877 30.558 29.700 -0.033 0.000 0.993 96 E HN 0.269 nan 8.360 nan 0.000 0.482 97 G N 1.075 109.865 108.800 -0.016 0.000 2.159 97 G HA2 -0.331 3.635 3.960 0.010 0.000 0.227 97 G HA3 -0.331 3.635 3.960 0.010 0.000 0.227 97 G C 1.200 176.155 174.900 0.091 0.000 0.986 97 G CA 0.505 45.619 45.100 0.023 0.000 0.651 97 G HN 0.394 nan 8.290 nan 0.000 0.523 98 A N -0.087 122.713 122.820 -0.035 0.000 2.019 98 A HA 0.256 4.582 4.320 0.010 0.000 0.219 98 A C 2.349 179.994 177.584 0.103 0.000 1.164 98 A CA 1.750 53.693 52.037 -0.156 0.000 0.644 98 A CB -0.265 18.296 19.000 -0.733 0.000 0.805 98 A HN 0.799 nan 8.150 nan 0.000 0.449 99 L N -1.433 119.854 121.223 0.107 0.000 2.240 99 L HA 0.077 4.424 4.340 0.010 0.000 0.211 99 L C 1.797 178.718 176.870 0.084 0.000 1.106 99 L CA 0.655 55.592 54.840 0.161 0.000 0.793 99 L CB -0.772 41.329 42.059 0.070 0.000 0.927 99 L HN 0.580 nan 8.230 nan 0.000 0.446 100 G N 1.821 110.538 108.800 -0.139 0.000 2.221 100 G HA2 -0.294 3.673 3.960 0.010 0.000 0.265 100 G HA3 -0.294 3.673 3.960 0.010 0.000 0.265 100 G C 0.199 174.802 174.900 -0.494 0.000 1.041 100 G CA 0.672 45.318 45.100 -0.756 0.000 0.807 100 G HN 0.607 nan 8.290 nan 0.000 0.502 101 R N -1.283 119.072 120.500 -0.242 0.000 2.692 101 R HA 0.567 4.913 4.340 0.010 0.000 0.269 101 R C -1.286 174.953 176.300 -0.102 0.000 1.030 101 R CA -0.835 55.158 56.100 -0.178 0.000 0.882 101 R CB 0.764 30.979 30.300 -0.141 0.000 1.250 101 R HN 0.102 nan 8.270 nan 0.000 0.465 102 D N 1.160 121.508 120.400 -0.086 0.000 2.383 102 D HA 0.077 4.723 4.640 0.010 0.000 0.252 102 D C -0.000 176.279 176.300 -0.034 0.000 1.166 102 D CA 0.235 54.202 54.000 -0.055 0.000 0.879 102 D CB 1.014 41.783 40.800 -0.051 0.000 1.164 102 D HN 0.603 nan 8.370 nan 0.000 0.462 103 T N 0.049 114.590 114.554 -0.022 0.000 3.393 103 T HA 0.159 4.516 4.350 0.010 0.000 0.255 103 T C 1.296 175.992 174.700 -0.006 0.000 1.008 103 T CA -0.147 61.949 62.100 -0.007 0.000 1.053 103 T CB 0.056 68.927 68.868 0.005 0.000 1.120 103 T HN 0.271 nan 8.240 nan 0.000 0.538 104 S N 0.526 116.219 115.700 -0.011 0.000 2.387 104 S HA 0.023 4.499 4.470 0.010 0.000 0.226 104 S C 0.913 175.510 174.600 -0.006 0.000 1.026 104 S CA 0.027 58.221 58.200 -0.009 0.000 0.972 104 S CB -0.697 62.495 63.200 -0.013 0.000 0.814 104 S HN 0.445 nan 8.310 nan 0.000 0.477 105 V N 3.572 123.482 119.914 -0.006 0.000 2.493 105 V HA 0.105 4.231 4.120 0.010 0.000 0.292 105 V C 0.651 176.744 176.094 -0.001 0.000 1.016 105 V CA -0.191 62.107 62.300 -0.004 0.000 1.097 105 V CB -0.053 31.767 31.823 -0.004 0.000 0.947 105 V HN 0.534 nan 8.190 nan 0.000 0.479 106 E N 3.877 124.076 120.200 -0.001 0.000 2.529 106 E HA 0.196 4.552 4.350 0.010 0.000 0.259 106 E C 1.332 177.932 176.600 0.001 0.000 0.966 106 E CA 0.873 57.274 56.400 0.001 0.000 0.937 106 E CB 0.165 29.865 29.700 -0.000 0.000 0.923 106 E HN 1.029 nan 8.360 nan 0.000 0.468 107 G N 2.883 111.686 108.800 0.005 0.000 2.199 107 G HA2 -0.387 3.579 3.960 0.010 0.000 0.254 107 G HA3 -0.387 3.579 3.960 0.010 0.000 0.254 107 G C 0.947 175.852 174.900 0.009 0.000 0.982 107 G CA 0.802 45.905 45.100 0.005 0.000 0.632 107 G HN 0.773 nan 8.290 nan 0.000 0.529 108 S N 0.879 116.586 115.700 0.012 0.000 2.474 108 S HA -0.049 4.428 4.470 0.010 0.000 0.235 108 S C 1.832 176.456 174.600 0.039 0.000 0.997 108 S CA 1.648 59.859 58.200 0.018 0.000 0.949 108 S CB -0.133 63.074 63.200 0.012 0.000 0.766 108 S HN 0.878 nan 8.310 nan 0.000 0.517 109 E N 1.094 121.320 120.200 0.044 0.000 2.481 109 E HA 0.022 4.379 4.350 0.010 0.000 0.195 109 E C 1.364 178.024 176.600 0.100 0.000 1.047 109 E CA 0.262 56.709 56.400 0.077 0.000 0.867 109 E CB -0.325 29.411 29.700 0.060 0.000 0.858 109 E HN 0.485 nan 8.360 nan 0.000 0.513 110 M N 1.328 120.961 119.600 0.054 0.000 2.556 110 M HA 0.141 4.628 4.480 0.010 0.000 0.245 110 M C 0.914 177.195 176.300 -0.031 0.000 1.128 110 M CA 0.153 55.471 55.300 0.029 0.000 1.069 110 M CB 0.138 32.738 32.600 0.001 0.000 1.469 110 M HN 0.012 nan 8.290 nan 0.000 0.494 111 V N -2.534 117.365 119.914 -0.026 0.000 3.001 111 V HA 0.674 4.800 4.120 0.010 0.000 0.314 111 V C -2.918 173.160 176.094 -0.027 0.000 1.099 111 V CA -2.714 59.513 62.300 -0.121 0.000 0.989 111 V CB 1.302 33.075 31.823 -0.083 0.000 1.040 111 V HN -0.097 nan 8.190 nan 0.000 0.434 112 P HA 0.420 nan 4.420 nan 0.000 0.265 112 P C 0.011 177.462 177.300 0.251 0.000 1.187 112 P CA 0.840 64.064 63.100 0.206 0.000 0.766 112 P CB 0.513 32.251 31.700 0.063 0.000 0.820 113 G N 1.560 110.558 108.800 0.330 0.000 2.659 113 G HA2 0.456 4.422 3.960 0.010 0.000 0.296 113 G HA3 0.456 4.422 3.960 0.010 0.000 0.296 113 G C -1.342 173.616 174.900 0.097 0.000 1.369 113 G CA -0.839 44.382 45.100 0.202 0.000 0.937 113 G HN 0.242 nan 8.290 nan 0.000 0.485 114 K N 0.133 120.477 120.400 -0.093 0.000 2.270 114 K HA 0.405 4.731 4.320 0.010 0.000 0.276 114 K C -0.263 176.181 176.600 -0.259 0.000 1.023 114 K CA -0.379 55.693 56.287 -0.357 0.000 0.955 114 K CB 1.887 34.168 32.500 -0.365 0.000 0.975 114 K HN 0.165 nan 8.250 nan 0.000 0.471 115 V N 4.005 123.736 119.914 -0.304 0.000 2.364 115 V HA 0.056 4.182 4.120 0.010 0.000 0.272 115 V C 0.041 175.930 176.094 -0.340 0.000 1.036 115 V CA -0.648 61.445 62.300 -0.345 0.000 0.880 115 V CB 0.938 32.529 31.823 -0.388 0.000 0.991 115 V HN 0.640 nan 8.190 nan 0.000 0.460 116 E N 4.858 124.866 120.200 -0.319 0.000 2.180 116 E HA 0.465 4.821 4.350 0.010 0.000 0.283 116 E C -0.873 175.548 176.600 -0.298 0.000 1.061 116 E CA -0.440 55.800 56.400 -0.265 0.000 0.861 116 E CB 1.761 31.337 29.700 -0.206 0.000 1.056 116 E HN 0.266 nan 8.360 nan 0.000 0.407 117 L N 2.414 123.470 121.223 -0.278 0.000 2.434 117 L HA 0.144 4.490 4.340 0.010 0.000 0.260 117 L C 0.974 177.713 176.870 -0.217 0.000 0.983 117 L CA -0.478 54.169 54.840 -0.322 0.000 0.820 117 L CB 2.076 43.888 42.059 -0.411 0.000 1.361 117 L HN 0.355 nan 8.230 nan 0.000 0.410 118 Q N 0.713 120.399 119.800 -0.189 0.000 2.046 118 Q HA 0.007 4.353 4.340 0.010 0.000 0.200 118 Q C -0.003 175.943 176.000 -0.090 0.000 0.975 118 Q CA 1.601 57.337 55.803 -0.111 0.000 0.836 118 Q CB 0.343 29.037 28.738 -0.073 0.000 0.896 118 Q HN 0.506 nan 8.270 nan 0.000 0.428 119 E N 0.836 120.978 120.200 -0.097 0.000 2.318 119 E HA 0.102 4.458 4.350 0.010 0.000 0.265 119 E C -0.742 175.826 176.600 -0.053 0.000 1.069 119 E CA -0.367 56.005 56.400 -0.047 0.000 0.893 119 E CB 0.691 30.392 29.700 0.001 0.000 1.076 119 E HN 0.158 nan 8.360 nan 0.000 0.414 120 K N 1.237 121.626 120.400 -0.018 0.000 2.368 120 K HA 0.151 4.477 4.320 0.010 0.000 0.282 120 K C -0.683 175.915 176.600 -0.002 0.000 1.035 120 K CA -0.239 56.041 56.287 -0.011 0.000 0.973 120 K CB 0.538 33.042 32.500 0.007 0.000 0.957 120 K HN 0.144 nan 8.250 nan 0.000 0.474 121 V N 5.362 125.271 119.914 -0.008 0.000 2.509 121 V HA 0.079 4.205 4.120 0.010 0.000 0.284 121 V C 0.989 177.072 176.094 -0.019 0.000 1.047 121 V CA -0.379 61.921 62.300 0.000 0.000 0.952 121 V CB 1.406 33.238 31.823 0.016 0.000 0.988 121 V HN 0.793 nan 8.190 nan 0.000 0.469 122 V N 1.161 121.034 119.914 -0.067 0.000 3.604 122 V HA 0.423 4.549 4.120 0.010 0.000 0.277 122 V C 0.167 176.074 176.094 -0.311 0.000 1.399 122 V CA 0.336 62.540 62.300 -0.160 0.000 1.034 122 V CB -0.036 31.685 31.823 -0.170 0.000 0.824 122 V HN 0.851 nan 8.190 nan 0.000 0.439 123 Q N 0.744 120.403 119.800 -0.234 0.000 2.386 123 Q HA 0.609 4.955 4.340 0.010 0.000 0.274 123 Q C -1.730 174.220 176.000 -0.082 0.000 1.011 123 Q CA -0.402 55.287 55.803 -0.190 0.000 0.867 123 Q CB 3.092 31.652 28.738 -0.296 0.000 1.409 123 Q HN 0.447 nan 8.270 nan 0.000 0.395 124 V N -0.346 119.533 119.914 -0.058 0.000 3.046 124 V HA 1.000 5.126 4.120 0.010 0.000 0.316 124 V C -0.684 175.358 176.094 -0.086 0.000 1.104 124 V CA -0.237 62.027 62.300 -0.060 0.000 1.006 124 V CB 1.777 33.578 31.823 -0.036 0.000 1.058 124 V HN 0.879 nan 8.190 nan 0.000 0.440 125 S N 0.406 116.029 115.700 -0.129 0.000 2.588 125 S HA 0.980 5.456 4.470 0.010 0.000 0.275 125 S C -0.591 173.871 174.600 -0.231 0.000 1.130 125 S CA -0.263 57.849 58.200 -0.147 0.000 0.855 125 S CB 1.701 64.836 63.200 -0.109 0.000 1.116 125 S HN 2.407 nan 8.310 nan 0.000 0.472 126 A N 0.528 123.183 122.820 -0.275 0.000 2.455 126 A HA 0.938 5.264 4.320 0.010 0.000 0.300 126 A C 0.119 177.436 177.584 -0.444 0.000 1.040 126 A CA -0.350 51.458 52.037 -0.383 0.000 0.697 126 A CB 1.254 20.005 19.000 -0.415 0.000 1.265 126 A HN 1.512 nan 8.150 nan 0.000 0.407 127 G N -0.196 108.181 108.800 -0.705 0.000 2.990 127 G HA2 0.444 4.410 3.960 0.010 0.000 0.208 127 G HA3 0.444 4.410 3.960 0.010 0.000 0.208 127 G C 0.323 175.146 174.900 -0.127 0.000 1.334 127 G CA 0.506 45.345 45.100 -0.436 0.000 1.024 127 G HN 0.604 nan 8.290 nan 0.000 0.574 128 D N -0.880 119.529 120.400 0.015 0.000 2.117 128 D HA -0.040 4.606 4.640 0.010 0.000 0.197 128 D C 1.824 178.185 176.300 0.102 0.000 0.987 128 D CA 1.777 55.825 54.000 0.079 0.000 0.829 128 D CB 0.198 41.064 40.800 0.110 0.000 0.961 128 D HN 0.167 nan 8.370 nan 0.000 0.460 129 S N -1.542 114.207 115.700 0.081 0.000 3.009 129 S HA 0.101 4.577 4.470 0.010 0.000 0.254 129 S C -0.321 174.215 174.600 -0.106 0.000 1.004 129 S CA -0.688 57.496 58.200 -0.027 0.000 1.119 129 S CB 0.361 63.567 63.200 0.010 0.000 1.075 129 S HN 0.490 nan 8.310 nan 0.000 0.618 130 H N -0.465 118.507 119.070 -0.164 0.000 2.907 130 H HA 0.750 5.312 4.556 0.011 0.000 0.361 130 H C -1.475 173.699 175.328 -0.257 0.000 1.194 130 H CA -0.524 55.343 56.048 -0.302 0.000 1.152 130 H CB 1.477 30.982 29.762 -0.429 0.000 1.867 130 H HN -0.080 nan 8.280 nan 0.000 0.561 131 T N 0.714 114.966 114.554 -0.503 0.000 2.933 131 T HA 0.671 5.027 4.350 0.010 0.000 0.305 131 T C -0.927 173.243 174.700 -0.883 0.000 1.092 131 T CA -0.355 61.319 62.100 -0.711 0.000 1.008 131 T CB 1.630 69.953 68.868 -0.908 0.000 1.102 131 T HN 0.915 nan 8.240 nan 0.000 0.469 132 A N 1.537 124.022 122.820 -0.558 0.000 2.413 132 A HA 1.006 5.333 4.320 0.010 0.000 0.307 132 A C -0.969 176.450 177.584 -0.275 0.000 1.087 132 A CA -0.868 50.932 52.037 -0.396 0.000 0.750 132 A CB 1.519 20.452 19.000 -0.111 0.000 1.296 132 A HN 1.226 nan 8.150 nan 0.000 0.423 133 A N 0.692 123.476 122.820 -0.062 0.000 2.422 133 A HA 0.669 4.995 4.320 0.010 0.000 0.302 133 A C -1.474 176.200 177.584 0.150 0.000 1.041 133 A CA -0.411 51.681 52.037 0.092 0.000 0.708 133 A CB 1.245 20.413 19.000 0.280 0.000 1.257 133 A HN 1.649 nan 8.150 nan 0.000 0.414 134 L N 2.811 124.078 121.223 0.073 0.000 2.287 134 L HA 0.641 4.987 4.340 0.010 0.000 0.287 134 L C 0.777 177.693 176.870 0.076 0.000 1.022 134 L CA 0.265 55.148 54.840 0.072 0.000 0.814 134 L CB 1.335 43.394 42.059 -0.000 0.000 1.217 134 L HN 0.892 nan 8.230 nan 0.000 0.420 135 T N -0.060 114.580 114.554 0.143 0.000 2.754 135 T HA 0.201 4.557 4.350 0.010 0.000 0.286 135 T C 0.827 175.575 174.700 0.080 0.000 0.997 135 T CA 0.076 62.243 62.100 0.112 0.000 0.982 135 T CB 0.615 69.587 68.868 0.174 0.000 1.027 135 T HN 0.693 nan 8.240 nan 0.000 0.529 136 D N -0.461 119.979 120.400 0.066 0.000 2.371 136 D HA -0.066 4.580 4.640 0.010 0.000 0.221 136 D C 0.663 177.012 176.300 0.082 0.000 0.986 136 D CA 0.507 54.551 54.000 0.074 0.000 0.899 136 D CB -0.484 40.352 40.800 0.060 0.000 0.902 136 D HN 0.772 nan 8.370 nan 0.000 0.530 137 D N -1.484 118.963 120.400 0.078 0.000 2.463 137 D HA 0.309 4.955 4.640 0.010 0.000 0.224 137 D C 1.413 177.752 176.300 0.065 0.000 1.174 137 D CA -0.142 53.900 54.000 0.068 0.000 0.829 137 D CB -0.035 40.800 40.800 0.059 0.000 0.993 137 D HN 0.183 nan 8.370 nan 0.000 0.497 138 G N 0.495 109.341 108.800 0.076 0.000 2.137 138 G HA2 -0.334 3.632 3.960 0.010 0.000 0.237 138 G HA3 -0.334 3.632 3.960 0.010 0.000 0.237 138 G C 0.091 175.009 174.900 0.031 0.000 1.002 138 G CA -0.352 44.782 45.100 0.058 0.000 0.702 138 G HN 0.427 nan 8.290 nan 0.000 0.515 139 R N -0.753 119.781 120.500 0.057 0.000 2.404 139 R HA 0.594 4.941 4.340 0.010 0.000 0.291 139 R C 0.020 176.338 176.300 0.030 0.000 1.025 139 R CA -0.574 55.531 56.100 0.007 0.000 0.991 139 R CB 1.763 32.088 30.300 0.041 0.000 1.053 139 R HN 0.083 nan 8.270 nan 0.000 0.479 140 V N 4.314 124.164 119.914 -0.107 0.000 2.398 140 V HA 0.404 4.530 4.120 0.010 0.000 0.286 140 V C -0.715 175.268 176.094 -0.185 0.000 1.026 140 V CA -0.521 61.752 62.300 -0.045 0.000 0.868 140 V CB 1.024 32.812 31.823 -0.060 0.000 0.982 140 V HN 0.515 nan 8.190 nan 0.000 0.443 141 F N 4.952 124.953 119.950 0.085 0.000 2.480 141 F HA 0.782 5.315 4.527 0.010 0.000 0.329 141 F C -0.226 175.663 175.800 0.149 0.000 1.091 141 F CA -0.764 57.339 58.000 0.172 0.000 0.972 141 F CB 1.896 41.067 39.000 0.284 0.000 1.150 141 F HN 0.313 nan 8.300 nan 0.000 0.467 142 L N 3.731 125.156 121.223 0.336 0.000 2.422 142 L HA 0.718 5.065 4.340 0.010 0.000 0.264 142 L C -1.792 175.261 176.870 0.305 0.000 0.984 142 L CA -0.688 54.220 54.840 0.113 0.000 0.819 142 L CB 1.646 43.724 42.059 0.031 0.000 1.330 142 L HN 0.705 nan 8.230 nan 0.000 0.410 143 W N 3.487 124.788 121.300 0.001 0.000 3.075 143 W HA 0.905 5.571 4.660 0.009 0.000 0.334 143 W C 0.015 176.470 176.519 -0.108 0.000 1.243 143 W CA -0.374 56.941 57.345 -0.050 0.000 1.170 143 W CB 0.429 29.872 29.460 -0.027 0.000 1.452 143 W HN 1.037 nan 8.180 nan 0.000 0.572 144 G N 0.968 109.829 108.800 0.101 0.000 2.464 144 G HA2 0.408 4.374 3.960 0.010 0.000 0.216 144 G HA3 0.408 4.374 3.960 0.010 0.000 0.216 144 G C -0.317 174.485 174.900 -0.163 0.000 1.186 144 G CA 0.357 45.426 45.100 -0.053 0.000 1.010 144 G HN 2.231 nan 8.290 nan 0.000 0.585 145 S N -1.216 114.340 115.700 -0.241 0.000 2.615 145 S HA 0.827 5.303 4.470 0.010 0.000 0.269 145 S C -1.262 173.136 174.600 -0.337 0.000 1.161 145 S CA -0.713 57.309 58.200 -0.297 0.000 0.817 145 S CB 2.021 65.165 63.200 -0.094 0.000 1.131 145 S HN 1.318 nan 8.310 nan 0.000 0.467 146 F N 1.030 120.992 119.950 0.021 0.000 2.507 146 F HA 0.851 5.384 4.527 0.010 0.000 0.327 146 F C 0.619 176.452 175.800 0.054 0.000 1.068 146 F CA -0.670 57.349 58.000 0.030 0.000 0.965 146 F CB 2.003 40.991 39.000 -0.020 0.000 1.192 146 F HN 0.980 nan 8.300 nan 0.000 0.476 147 R N 0.244 120.915 120.500 0.285 0.000 2.799 147 R HA 0.728 5.074 4.340 0.010 0.000 0.270 147 R C -2.002 174.406 176.300 0.180 0.000 1.010 147 R CA -0.974 55.240 56.100 0.189 0.000 0.916 147 R CB 2.231 32.621 30.300 0.150 0.000 1.228 147 R HN 0.582 nan 8.270 nan 0.000 0.469 148 D N -0.023 120.456 120.400 0.133 0.000 2.687 148 D HA 0.213 4.859 4.640 0.010 0.000 0.264 148 D C -0.213 176.138 176.300 0.085 0.000 1.091 148 D CA -0.830 53.232 54.000 0.103 0.000 1.123 148 D CB 0.588 41.437 40.800 0.082 0.000 1.407 148 D HN 0.467 nan 8.370 nan 0.000 0.591 149 N N -0.242 118.489 118.700 0.052 0.000 2.149 149 N HA -0.121 4.625 4.740 0.010 0.000 0.188 149 N C 1.037 176.577 175.510 0.050 0.000 1.019 149 N CA 0.907 53.980 53.050 0.039 0.000 0.857 149 N CB -0.290 38.206 38.487 0.015 0.000 0.997 149 N HN 0.402 nan 8.380 nan 0.000 0.426 150 N N -0.211 118.519 118.700 0.050 0.000 2.290 150 N HA 0.054 4.800 4.740 0.010 0.000 0.179 150 N C 1.094 176.636 175.510 0.053 0.000 1.016 150 N CA 0.919 53.997 53.050 0.047 0.000 0.871 150 N CB 0.576 39.087 38.487 0.041 0.000 0.987 150 N HN 0.265 nan 8.380 nan 0.000 0.431 151 G N -0.879 107.959 108.800 0.063 0.000 2.317 151 G HA2 0.193 4.159 3.960 0.010 0.000 0.293 151 G HA3 0.193 4.159 3.960 0.010 0.000 0.293 151 G C -1.420 173.526 174.900 0.077 0.000 1.287 151 G CA -0.732 44.407 45.100 0.065 0.000 0.850 151 G HN -0.082 nan 8.290 nan 0.000 0.515 152 V N 1.040 120.997 119.914 0.071 0.000 2.763 152 V HA 0.243 4.369 4.120 0.010 0.000 0.306 152 V C 1.711 177.854 176.094 0.081 0.000 1.059 152 V CA 1.071 63.418 62.300 0.079 0.000 1.138 152 V CB 0.906 32.763 31.823 0.056 0.000 0.940 152 V HN 0.832 nan 8.190 nan 0.000 0.489 153 I N 0.797 121.432 120.570 0.109 0.000 4.181 153 I HA 0.702 4.878 4.170 0.010 0.000 0.331 153 I C 0.827 177.010 176.117 0.109 0.000 1.312 153 I CA 0.511 61.874 61.300 0.105 0.000 1.146 153 I CB 0.421 38.490 38.000 0.115 0.000 1.074 153 I HN 0.842 nan 8.210 nan 0.000 0.402 154 G N 1.492 110.359 108.800 0.111 0.000 2.362 154 G HA2 -0.092 3.874 3.960 0.010 0.000 0.517 154 G HA3 -0.092 3.874 3.960 0.010 0.000 0.517 154 G C -0.757 174.206 174.900 0.105 0.000 1.256 154 G CA -0.087 45.065 45.100 0.085 0.000 1.027 154 G HN 0.218 nan 8.290 nan 0.000 0.491 155 L N -1.635 119.630 121.223 0.069 0.000 3.383 155 L HA 0.635 4.981 4.340 0.010 0.000 0.169 155 L C 1.946 178.922 176.870 0.176 0.000 1.161 155 L CA 0.708 55.549 54.840 0.003 0.000 0.847 155 L CB -0.213 41.755 42.059 -0.151 0.000 1.514 155 L HN 0.576 nan 8.230 nan 0.000 0.582 156 L N -0.745 120.528 121.223 0.085 0.000 2.609 156 L HA 0.333 4.679 4.340 0.010 0.000 0.230 156 L C -0.175 176.727 176.870 0.054 0.000 1.087 156 L CA 0.044 54.931 54.840 0.078 0.000 0.874 156 L CB 0.446 42.532 42.059 0.045 0.000 1.114 156 L HN 0.272 nan 8.230 nan 0.000 0.488 157 E N -0.287 119.941 120.200 0.048 0.000 2.312 157 E HA 0.342 4.698 4.350 0.010 0.000 0.267 157 E C -2.508 174.117 176.600 0.041 0.000 0.894 157 E CA -2.254 54.166 56.400 0.034 0.000 0.773 157 E CB 1.942 31.656 29.700 0.022 0.000 1.241 157 E HN -0.231 nan 8.360 nan 0.000 0.432 158 P HA -0.035 nan 4.420 nan 0.000 0.263 158 P C -0.163 177.158 177.300 0.034 0.000 1.195 158 P CA 0.512 63.633 63.100 0.035 0.000 0.762 158 P CB 0.309 32.021 31.700 0.021 0.000 0.799 159 M N -0.041 119.585 119.600 0.043 0.000 2.931 159 M HA -0.224 4.262 4.480 0.010 0.000 0.190 159 M C -0.447 175.871 176.300 0.030 0.000 0.626 159 M CA 1.369 56.691 55.300 0.038 0.000 0.722 159 M CB -2.383 30.235 32.600 0.029 0.000 2.597 159 M HN 0.385 nan 8.290 nan 0.000 0.299 160 K N 2.092 122.508 120.400 0.027 0.000 2.265 160 K HA 0.476 4.803 4.320 0.010 0.000 0.267 160 K C 0.492 177.096 176.600 0.006 0.000 0.994 160 K CA -0.643 55.654 56.287 0.016 0.000 0.860 160 K CB 1.900 34.410 32.500 0.015 0.000 1.099 160 K HN 0.312 nan 8.250 nan 0.000 0.448 161 K N 0.363 120.762 120.400 -0.002 0.000 2.118 161 K HA 0.289 4.615 4.320 0.010 0.000 0.240 161 K C -0.248 176.347 176.600 -0.007 0.000 1.035 161 K CA -0.643 55.631 56.287 -0.022 0.000 0.899 161 K CB 1.103 33.592 32.500 -0.019 0.000 1.085 161 K HN 0.290 nan 8.250 nan 0.000 0.498 162 S N 0.564 116.264 115.700 0.000 0.000 2.561 162 S HA 0.269 4.745 4.470 0.010 0.000 0.303 162 S C 0.584 175.215 174.600 0.052 0.000 1.110 162 S CA -0.976 57.243 58.200 0.032 0.000 1.034 162 S CB 1.003 64.239 63.200 0.059 0.000 1.010 162 S HN 0.655 nan 8.310 nan 0.000 0.482 163 M N 3.402 123.013 119.600 0.019 0.000 2.419 163 M HA 0.114 4.600 4.480 0.010 0.000 0.264 163 M C 0.764 177.032 176.300 -0.053 0.000 1.082 163 M CA 0.693 55.990 55.300 -0.004 0.000 1.119 163 M CB -1.145 31.440 32.600 -0.026 0.000 1.398 163 M HN 0.596 nan 8.290 nan 0.000 0.453 164 V N -1.516 118.376 119.914 -0.036 0.000 2.630 164 V HA 0.571 4.697 4.120 0.010 0.000 0.305 164 V C -2.767 173.316 176.094 -0.019 0.000 1.046 164 V CA -2.623 59.618 62.300 -0.099 0.000 0.934 164 V CB 1.047 32.828 31.823 -0.070 0.000 1.003 164 V HN -0.042 nan 8.190 nan 0.000 0.451 165 P HA 0.267 nan 4.420 nan 0.000 0.263 165 P C -0.751 176.733 177.300 0.306 0.000 1.195 165 P CA 0.287 63.486 63.100 0.166 0.000 0.762 165 P CB 0.772 32.385 31.700 -0.146 0.000 0.799 166 V N 4.190 124.328 119.914 0.372 0.000 2.604 166 V HA 0.286 4.412 4.120 0.010 0.000 0.305 166 V C 0.181 176.321 176.094 0.076 0.000 1.043 166 V CA -0.748 61.684 62.300 0.220 0.000 0.888 166 V CB 1.818 33.709 31.823 0.114 0.000 0.995 166 V HN 0.443 nan 8.190 nan 0.000 0.429 167 Q N 2.287 121.990 119.800 -0.162 0.000 2.296 167 Q HA 0.378 4.724 4.340 0.010 0.000 0.262 167 Q C -0.737 175.093 176.000 -0.283 0.000 0.981 167 Q CA -0.278 55.175 55.803 -0.583 0.000 0.905 167 Q CB 1.404 29.780 28.738 -0.604 0.000 1.186 167 Q HN 0.636 nan 8.270 nan 0.000 0.399 168 V N 4.935 124.688 119.914 -0.269 0.000 2.555 168 V HA -0.010 4.116 4.120 0.010 0.000 0.286 168 V C 0.121 176.119 176.094 -0.160 0.000 1.044 168 V CA -0.243 61.968 62.300 -0.148 0.000 1.026 168 V CB 1.338 33.093 31.823 -0.113 0.000 0.981 168 V HN 0.773 nan 8.190 nan 0.000 0.480 169 Q N 5.588 125.321 119.800 -0.111 0.000 2.348 169 Q HA 0.459 4.805 4.340 0.010 0.000 0.251 169 Q C -0.713 175.210 176.000 -0.129 0.000 1.113 169 Q CA 0.334 56.073 55.803 -0.106 0.000 0.902 169 Q CB 0.856 29.553 28.738 -0.067 0.000 1.333 169 Q HN 0.567 nan 8.270 nan 0.000 0.457 170 L N 1.833 122.960 121.223 -0.160 0.000 2.424 170 L HA 0.295 4.641 4.340 0.010 0.000 0.258 170 L C 0.307 177.082 176.870 -0.158 0.000 0.995 170 L CA -0.511 54.201 54.840 -0.214 0.000 0.821 170 L CB 2.320 44.191 42.059 -0.313 0.000 1.383 170 L HN 0.479 nan 8.230 nan 0.000 0.410 171 D N 0.785 121.095 120.400 -0.151 0.000 2.363 171 D HA 0.091 4.737 4.640 0.010 0.000 0.214 171 D C -0.175 176.083 176.300 -0.071 0.000 1.093 171 D CA 0.119 54.068 54.000 -0.085 0.000 0.837 171 D CB 0.964 41.735 40.800 -0.048 0.000 0.948 171 D HN 0.072 nan 8.370 nan 0.000 0.507 172 V N 0.373 120.225 119.914 -0.103 0.000 2.888 172 V HA 0.473 4.599 4.120 0.010 0.000 0.309 172 V C -2.784 173.272 176.094 -0.063 0.000 1.114 172 V CA -2.082 60.182 62.300 -0.059 0.000 0.940 172 V CB 2.332 34.133 31.823 -0.036 0.000 1.021 172 V HN -0.219 nan 8.190 nan 0.000 0.426 173 P HA 0.219 nan 4.420 nan 0.000 0.268 173 P C -0.942 176.353 177.300 -0.008 0.000 1.204 173 P CA 0.143 63.238 63.100 -0.009 0.000 0.768 173 P CB 0.638 32.349 31.700 0.018 0.000 0.842 174 V N 3.878 123.785 119.914 -0.012 0.000 2.539 174 V HA 0.124 4.250 4.120 0.010 0.000 0.292 174 V C 1.401 177.504 176.094 0.016 0.000 1.045 174 V CA -0.120 62.172 62.300 -0.013 0.000 0.945 174 V CB 1.664 33.467 31.823 -0.033 0.000 0.993 174 V HN 0.489 nan 8.190 nan 0.000 0.464 175 V N 1.090 120.991 119.914 -0.021 0.000 3.621 175 V HA 0.450 4.576 4.120 0.010 0.000 0.263 175 V C 0.414 176.427 176.094 -0.134 0.000 1.272 175 V CA 0.434 62.709 62.300 -0.041 0.000 1.080 175 V CB -0.223 31.559 31.823 -0.068 0.000 0.816 175 V HN 0.761 nan 8.190 nan 0.000 0.451 176 K N 1.214 121.505 120.400 -0.182 0.000 2.543 176 K HA 0.617 4.943 4.320 0.010 0.000 0.255 176 K C -1.411 175.133 176.600 -0.094 0.000 0.934 176 K CA -0.450 55.739 56.287 -0.163 0.000 0.810 176 K CB 2.916 35.173 32.500 -0.406 0.000 1.315 176 K HN 0.212 nan 8.250 nan 0.000 0.433 177 V N -0.040 119.841 119.914 -0.055 0.000 2.667 177 V HA 1.007 5.133 4.120 0.010 0.000 0.308 177 V C -0.756 175.296 176.094 -0.070 0.000 1.048 177 V CA -0.623 61.642 62.300 -0.058 0.000 0.928 177 V CB 1.269 33.068 31.823 -0.040 0.000 1.004 177 V HN 0.875 nan 8.190 nan 0.000 0.444 178 A N 2.723 125.492 122.820 -0.084 0.000 2.520 178 A HA 0.885 5.211 4.320 0.010 0.000 0.298 178 A C -0.464 177.041 177.584 -0.132 0.000 1.051 178 A CA -0.516 51.464 52.037 -0.096 0.000 0.690 178 A CB 2.003 20.941 19.000 -0.102 0.000 1.281 178 A HN 1.012 nan 8.150 nan 0.000 0.402 179 S N 0.005 115.617 115.700 -0.147 0.000 2.513 179 S HA 0.781 5.257 4.470 0.010 0.000 0.299 179 S C 0.489 174.900 174.600 -0.316 0.000 1.087 179 S CA -0.026 58.070 58.200 -0.173 0.000 1.012 179 S CB 1.826 65.017 63.200 -0.015 0.000 1.044 179 S HN 1.318 nan 8.310 nan 0.000 0.485 180 G N 1.289 109.747 108.800 -0.571 0.000 2.583 180 G HA2 0.270 4.236 3.960 0.010 0.000 0.280 180 G HA3 0.270 4.236 3.960 0.010 0.000 0.280 180 G C 0.581 175.395 174.900 -0.144 0.000 1.376 180 G CA -0.477 44.382 45.100 -0.402 0.000 1.043 180 G HN 0.576 nan 8.290 nan 0.000 0.538 181 N N 0.139 118.730 118.700 -0.182 0.000 2.104 181 N HA -0.040 4.706 4.740 0.010 0.000 0.190 181 N C 0.517 176.146 175.510 0.200 0.000 1.024 181 N CA 1.291 54.288 53.050 -0.089 0.000 0.853 181 N CB 0.229 38.533 38.487 -0.305 0.000 1.008 181 N HN 0.442 nan 8.380 nan 0.000 0.424 182 D N -0.782 119.773 120.400 0.259 0.000 2.785 182 D HA 0.051 4.697 4.640 0.010 0.000 0.324 182 D C -0.624 175.695 176.300 0.033 0.000 1.523 182 D CA -0.128 54.074 54.000 0.337 0.000 0.789 182 D CB 0.440 41.424 40.800 0.307 0.000 1.171 182 D HN 0.428 nan 8.370 nan 0.000 0.447 183 H N -1.012 117.960 119.070 -0.163 0.000 3.016 183 H HA 0.571 5.134 4.556 0.011 0.000 0.362 183 H C -1.810 173.396 175.328 -0.204 0.000 1.233 183 H CA -0.955 54.847 56.048 -0.411 0.000 1.124 183 H CB 1.865 31.475 29.762 -0.253 0.000 1.850 183 H HN -0.060 nan 8.280 nan 0.000 0.549 184 L N 2.570 123.630 121.223 -0.273 0.000 2.362 184 L HA 0.559 4.906 4.340 0.010 0.000 0.275 184 L C -0.914 175.910 176.870 -0.076 0.000 0.998 184 L CA -0.718 54.038 54.840 -0.139 0.000 0.820 184 L CB 1.501 43.546 42.059 -0.024 0.000 1.270 184 L HN 0.656 nan 8.230 nan 0.000 0.415 185 V N 2.790 122.658 119.914 -0.077 0.000 2.628 185 V HA 0.745 4.872 4.120 0.010 0.000 0.306 185 V C -0.540 175.538 176.094 -0.026 0.000 1.045 185 V CA -0.695 61.592 62.300 -0.021 0.000 0.905 185 V CB 1.914 33.722 31.823 -0.024 0.000 0.997 185 V HN 0.856 nan 8.190 nan 0.000 0.436 186 M N 5.244 124.853 119.600 0.015 0.000 2.151 186 M HA 0.499 4.985 4.480 0.010 0.000 0.290 186 M C -1.352 174.975 176.300 0.045 0.000 0.965 186 M CA -0.447 54.860 55.300 0.012 0.000 0.930 186 M CB 2.035 34.643 32.600 0.014 0.000 1.560 186 M HN 0.715 nan 8.290 nan 0.000 0.438 187 L N 4.366 125.580 121.223 -0.016 0.000 2.257 187 L HA 0.545 4.892 4.340 0.010 0.000 0.290 187 L C 0.390 177.273 176.870 0.023 0.000 1.044 187 L CA 0.202 55.047 54.840 0.008 0.000 0.810 187 L CB 1.247 43.261 42.059 -0.075 0.000 1.193 187 L HN 0.809 nan 8.230 nan 0.000 0.425 188 T N 1.793 116.408 114.554 0.102 0.000 2.849 188 T HA 0.476 4.832 4.350 0.010 0.000 0.284 188 T C 1.323 176.072 174.700 0.082 0.000 1.004 188 T CA -0.144 62.002 62.100 0.077 0.000 1.021 188 T CB 1.155 70.097 68.868 0.123 0.000 1.013 188 T HN 0.729 nan 8.240 nan 0.000 0.527 189 A N 0.594 123.454 122.820 0.067 0.000 2.024 189 A HA -0.043 4.283 4.320 0.010 0.000 0.220 189 A C 1.748 179.396 177.584 0.106 0.000 1.164 189 A CA 1.426 53.512 52.037 0.082 0.000 0.643 189 A CB -0.802 18.236 19.000 0.063 0.000 0.806 189 A HN 0.856 nan 8.150 nan 0.000 0.451 190 D N -1.410 119.057 120.400 0.112 0.000 2.340 190 D HA 0.284 4.930 4.640 0.010 0.000 0.220 190 D C 1.327 177.731 176.300 0.172 0.000 1.039 190 D CA 1.057 55.132 54.000 0.125 0.000 0.866 190 D CB 0.052 40.914 40.800 0.105 0.000 0.913 190 D HN 0.582 nan 8.370 nan 0.000 0.523 191 G N 0.927 109.837 108.800 0.185 0.000 2.141 191 G HA2 -0.221 3.746 3.960 0.010 0.000 0.242 191 G HA3 -0.221 3.746 3.960 0.010 0.000 0.242 191 G C -0.230 174.762 174.900 0.154 0.000 0.982 191 G CA -0.304 44.894 45.100 0.163 0.000 0.662 191 G HN 0.206 nan 8.290 nan 0.000 0.527 192 D N -0.138 120.388 120.400 0.210 0.000 2.302 192 D HA 0.475 5.121 4.640 0.010 0.000 0.248 192 D C 0.140 176.592 176.300 0.254 0.000 1.094 192 D CA -0.162 53.992 54.000 0.256 0.000 0.897 192 D CB 1.856 42.842 40.800 0.310 0.000 1.200 192 D HN 0.177 nan 8.370 nan 0.000 0.429 193 L N 3.719 125.038 121.223 0.159 0.000 2.276 193 L HA 0.277 4.623 4.340 0.010 0.000 0.286 193 L C -1.508 175.328 176.870 -0.056 0.000 1.024 193 L CA -0.505 54.365 54.840 0.050 0.000 0.826 193 L CB 0.303 42.272 42.059 -0.151 0.000 1.211 193 L HN 0.193 nan 8.230 nan 0.000 0.422 194 Y N 2.629 122.917 120.300 -0.020 0.000 2.342 194 Y HA 0.674 5.230 4.550 0.010 0.000 0.334 194 Y C 0.657 176.535 175.900 -0.035 0.000 1.067 194 Y CA -0.417 57.664 58.100 -0.031 0.000 1.128 194 Y CB 1.946 40.390 38.460 -0.026 0.000 1.200 194 Y HN 0.664 nan 8.280 nan 0.000 0.464 195 T N 2.299 116.894 114.554 0.068 0.000 2.900 195 T HA 0.851 5.207 4.350 0.010 0.000 0.295 195 T C -1.155 173.545 174.700 0.000 0.000 1.044 195 T CA -0.835 61.288 62.100 0.037 0.000 0.995 195 T CB 1.602 70.492 68.868 0.036 0.000 1.072 195 T HN 0.572 nan 8.240 nan 0.000 0.473 196 L N -1.076 120.114 121.223 -0.054 0.000 2.622 196 L HA 1.008 5.354 4.340 0.010 0.000 0.258 196 L C 0.107 176.750 176.870 -0.378 0.000 0.996 196 L CA -0.032 54.729 54.840 -0.131 0.000 0.858 196 L CB 1.397 43.421 42.059 -0.058 0.000 1.449 196 L HN 1.485 nan 8.230 nan 0.000 0.411 197 G N -0.923 107.585 108.800 -0.486 0.000 2.297 197 G HA2 -0.025 3.941 3.960 0.010 0.000 0.209 197 G HA3 -0.025 3.941 3.960 0.010 0.000 0.209 197 G C -0.713 173.930 174.900 -0.427 0.000 1.267 197 G CA -0.342 44.163 45.100 -0.993 0.000 1.127 197 G HN 1.277 nan 8.290 nan 0.000 0.498 198 C N 1.648 120.744 119.300 -0.341 0.000 2.648 198 C HA 0.596 5.062 4.460 0.010 0.000 0.419 198 C C 1.747 176.688 174.990 -0.083 0.000 1.352 198 C CA 1.409 60.370 59.018 -0.095 0.000 1.816 198 C CB -0.292 27.460 27.740 0.019 0.000 2.598 198 C HN 1.883 nan 8.230 nan 0.000 0.598 199 G N 3.634 112.421 108.800 -0.021 0.000 3.863 199 G HA2 0.123 4.089 3.960 0.010 0.000 0.290 199 G HA3 0.123 4.089 3.960 0.010 0.000 0.290 199 G C 0.902 175.854 174.900 0.087 0.000 1.018 199 G CA 0.066 45.169 45.100 0.005 0.000 0.824 199 G HN 0.889 nan 8.290 nan 0.000 0.507 200 E N 0.038 120.282 120.200 0.074 0.000 2.153 200 E HA -0.111 4.245 4.350 0.010 0.000 0.194 200 E C 1.647 178.307 176.600 0.101 0.000 0.988 200 E CA 0.874 57.349 56.400 0.124 0.000 0.811 200 E CB 0.293 30.034 29.700 0.068 0.000 0.746 200 E HN 0.268 nan 8.360 nan 0.000 0.466 201 Q N -1.319 118.423 119.800 -0.096 0.000 2.247 201 Q HA 0.166 4.512 4.340 0.010 0.000 0.211 201 Q C 0.789 176.329 176.000 -0.765 0.000 0.861 201 Q CA 0.672 56.291 55.803 -0.308 0.000 0.949 201 Q CB 1.664 30.308 28.738 -0.156 0.000 1.115 201 Q HN 0.382 nan 8.270 nan 0.000 0.507 202 G N 2.162 110.522 108.800 -0.733 0.000 2.131 202 G HA2 -0.280 3.686 3.960 0.010 0.000 0.223 202 G HA3 -0.280 3.686 3.960 0.010 0.000 0.223 202 G C 0.831 175.607 174.900 -0.207 0.000 0.990 202 G CA 0.517 45.186 45.100 -0.717 0.000 0.671 202 G HN 0.402 nan 8.290 nan 0.000 0.521 203 Q N 0.048 119.727 119.800 -0.202 0.000 2.435 203 Q HA 0.153 4.499 4.340 0.010 0.000 0.207 203 Q C 2.315 178.288 176.000 -0.045 0.000 0.956 203 Q CA 1.095 56.759 55.803 -0.232 0.000 0.917 203 Q CB -0.170 28.148 28.738 -0.700 0.000 0.997 203 Q HN 0.610 nan 8.270 nan 0.000 0.497 204 L N 0.173 121.380 121.223 -0.026 0.000 2.270 204 L HA 0.144 4.490 4.340 0.010 0.000 0.210 204 L C 1.362 178.155 176.870 -0.129 0.000 1.104 204 L CA 0.661 55.504 54.840 0.004 0.000 0.804 204 L CB -0.485 41.546 42.059 -0.046 0.000 0.937 204 L HN 0.460 nan 8.230 nan 0.000 0.450 205 G N 1.709 110.353 108.800 -0.260 0.000 2.160 205 G HA2 -0.324 3.643 3.960 0.010 0.000 0.251 205 G HA3 -0.324 3.643 3.960 0.010 0.000 0.251 205 G C 0.719 175.331 174.900 -0.480 0.000 1.008 205 G CA 0.730 45.337 45.100 -0.823 0.000 0.724 205 G HN 0.634 nan 8.290 nan 0.000 0.514 206 R N -2.300 118.068 120.500 -0.219 0.000 2.478 206 R HA 0.495 4.841 4.340 0.010 0.000 0.377 206 R C -0.535 175.743 176.300 -0.036 0.000 0.853 206 R CA -0.195 55.815 56.100 -0.151 0.000 1.113 206 R CB 0.347 30.541 30.300 -0.178 0.000 1.725 206 R HN 0.405 nan 8.270 nan 0.000 0.524 207 V N 2.499 122.436 119.914 0.039 0.000 2.531 207 V HA 0.463 4.589 4.120 0.010 0.000 0.301 207 V C -2.387 173.806 176.094 0.164 0.000 1.034 207 V CA -2.290 60.097 62.300 0.145 0.000 0.865 207 V CB 2.472 34.394 31.823 0.166 0.000 0.995 207 V HN 0.044 nan 8.190 nan 0.000 0.424 208 P HA 0.121 nan 4.420 nan 0.000 0.270 208 P C 0.860 177.921 177.300 -0.399 0.000 1.223 208 P CA -0.065 62.951 63.100 -0.139 0.000 0.785 208 P CB 0.808 32.359 31.700 -0.249 0.000 0.923 209 E N 0.591 120.304 120.200 -0.812 0.000 2.160 209 E HA -0.195 4.161 4.350 0.010 0.000 0.195 209 E C 1.398 177.593 176.600 -0.675 0.000 0.991 209 E CA 1.066 56.673 56.400 -1.321 0.000 0.810 209 E CB -0.345 28.650 29.700 -1.175 0.000 0.742 209 E HN 0.221 nan 8.360 nan 0.000 0.466 210 L N -0.233 120.628 121.223 -0.604 0.000 2.129 210 L HA -0.189 4.157 4.340 0.010 0.000 0.212 210 L C 1.424 177.996 176.870 -0.497 0.000 1.087 210 L CA 1.431 55.901 54.840 -0.616 0.000 0.757 210 L CB -0.419 41.076 42.059 -0.940 0.000 0.896 210 L HN 0.187 nan 8.230 nan 0.000 0.434 211 F N -1.173 118.695 119.950 -0.137 0.000 2.684 211 F HA 0.422 4.955 4.527 0.010 0.000 0.298 211 F C 1.817 177.599 175.800 -0.029 0.000 1.120 211 F CA -0.251 57.708 58.000 -0.069 0.000 1.332 211 F CB -1.254 37.716 39.000 -0.051 0.000 0.986 211 F HN -0.055 nan 8.300 nan 0.000 0.524 212 A N 0.085 122.946 122.820 0.069 0.000 1.930 212 A HA -0.181 4.145 4.320 0.010 0.000 0.217 212 A C 1.457 179.113 177.584 0.120 0.000 1.175 212 A CA 1.182 53.305 52.037 0.143 0.000 0.627 212 A CB -0.525 18.547 19.000 0.120 0.000 0.815 212 A HN 0.283 nan 8.150 nan 0.000 0.443 213 N N 0.068 118.816 118.700 0.081 0.000 2.868 213 N HA 0.203 4.950 4.740 0.010 0.000 0.252 213 N C -0.046 175.508 175.510 0.073 0.000 1.130 213 N CA -0.088 53.004 53.050 0.069 0.000 1.026 213 N CB -0.692 37.822 38.487 0.045 0.000 1.335 213 N HN 0.333 nan 8.380 nan 0.000 0.516 214 R N 1.607 122.150 120.500 0.072 0.000 3.704 214 R HA -0.114 4.232 4.340 0.010 0.000 0.400 214 R C 0.759 177.086 176.300 0.045 0.000 1.089 214 R CA 0.472 56.605 56.100 0.055 0.000 0.966 214 R CB -1.991 28.337 30.300 0.046 0.000 1.633 214 R HN 0.681 nan 8.270 nan 0.000 0.511 215 G N -0.863 107.975 108.800 0.063 0.000 2.162 215 G HA2 -0.222 3.745 3.960 0.010 0.000 0.260 215 G HA3 -0.222 3.745 3.960 0.010 0.000 0.260 215 G C 0.989 175.932 174.900 0.072 0.000 0.976 215 G CA 0.836 45.947 45.100 0.019 0.000 0.655 215 G HN 1.294 nan 8.290 nan 0.000 0.533 216 G N 0.103 109.014 108.800 0.185 0.000 2.672 216 G HA2 -0.406 3.560 3.960 0.010 0.000 0.324 216 G HA3 -0.406 3.560 3.960 0.010 0.000 0.324 216 G C 0.842 175.832 174.900 0.150 0.000 1.286 216 G CA 1.108 46.359 45.100 0.253 0.000 1.004 216 G HN 1.138 nan 8.290 nan 0.000 0.548 217 R N 0.935 121.575 120.500 0.233 0.000 2.391 217 R HA 0.228 4.574 4.340 0.010 0.000 0.249 217 R C 1.483 177.761 176.300 -0.036 0.000 0.957 217 R CA 0.723 56.890 56.100 0.111 0.000 1.093 217 R CB 0.248 30.654 30.300 0.177 0.000 1.156 217 R HN 0.574 nan 8.270 nan 0.000 0.526 218 Q N -0.176 119.510 119.800 -0.191 0.000 2.063 218 Q HA 0.152 4.498 4.340 0.010 0.000 0.258 218 Q C -0.438 175.421 176.000 -0.234 0.000 0.855 218 Q CA -0.010 55.618 55.803 -0.291 0.000 1.057 218 Q CB 1.161 29.517 28.738 -0.636 0.000 1.267 218 Q HN 0.389 nan 8.270 nan 0.000 0.419 219 G N 0.681 109.402 108.800 -0.132 0.000 2.916 219 G HA2 -0.302 3.664 3.960 0.010 0.000 0.533 219 G HA3 -0.302 3.664 3.960 0.010 0.000 0.533 219 G C 0.104 174.959 174.900 -0.075 0.000 1.516 219 G CA -0.150 44.904 45.100 -0.075 0.000 0.944 219 G HN 0.277 nan 8.290 nan 0.000 0.555 220 L N 1.086 122.288 121.223 -0.035 0.000 2.156 220 L HA 0.076 4.422 4.340 0.010 0.000 0.208 220 L C 2.965 179.820 176.870 -0.024 0.000 1.095 220 L CA 2.680 57.511 54.840 -0.016 0.000 0.770 220 L CB -0.755 41.310 42.059 0.009 0.000 0.914 220 L HN 0.813 nan 8.230 nan 0.000 0.439 221 E N -0.537 119.644 120.200 -0.031 0.000 2.209 221 E HA -0.304 4.052 4.350 0.010 0.000 0.196 221 E C 2.161 178.737 176.600 -0.040 0.000 0.993 221 E CA 1.038 57.423 56.400 -0.026 0.000 0.819 221 E CB -0.633 29.052 29.700 -0.026 0.000 0.745 221 E HN 0.513 nan 8.360 nan 0.000 0.477 222 R N 0.748 121.206 120.500 -0.070 0.000 2.092 222 R HA -0.002 4.344 4.340 0.010 0.000 0.231 222 R C 2.578 178.839 176.300 -0.065 0.000 1.119 222 R CA 0.816 56.865 56.100 -0.086 0.000 0.970 222 R CB -0.094 30.115 30.300 -0.152 0.000 0.864 222 R HN 0.207 nan 8.270 nan 0.000 0.440 223 L N 0.260 121.449 121.223 -0.056 0.000 2.156 223 L HA -0.101 4.245 4.340 0.010 0.000 0.208 223 L C 1.981 178.821 176.870 -0.051 0.000 1.095 223 L CA 0.862 55.672 54.840 -0.049 0.000 0.770 223 L CB -0.141 41.896 42.059 -0.036 0.000 0.914 223 L HN 0.248 nan 8.230 nan 0.000 0.439 224 L N -0.949 120.262 121.223 -0.020 0.000 2.529 224 L HA 0.118 4.464 4.340 0.010 0.000 0.223 224 L C 0.518 177.400 176.870 0.021 0.000 1.113 224 L CA -0.215 54.633 54.840 0.013 0.000 0.861 224 L CB 0.325 42.420 42.059 0.060 0.000 1.012 224 L HN -0.043 nan 8.230 nan 0.000 0.461 225 V N 0.638 120.554 119.914 0.004 0.000 2.644 225 V HA 0.249 4.375 4.120 0.010 0.000 0.295 225 V C -2.151 173.958 176.094 0.027 0.000 1.053 225 V CA -1.594 60.713 62.300 0.012 0.000 0.987 225 V CB 1.269 33.093 31.823 0.002 0.000 1.006 225 V HN -0.035 nan 8.190 nan 0.000 0.472 226 P HA 0.288 nan 4.420 nan 0.000 0.271 226 P C -0.832 176.606 177.300 0.230 0.000 1.233 226 P CA 0.003 63.179 63.100 0.127 0.000 0.764 226 P CB 0.306 32.053 31.700 0.079 0.000 0.825 227 K N 2.017 122.517 120.400 0.166 0.000 2.469 227 K HA 0.440 4.766 4.320 0.010 0.000 0.254 227 K C -0.904 175.541 176.600 -0.259 0.000 0.939 227 K CA -0.805 55.494 56.287 0.019 0.000 0.812 227 K CB 2.258 34.730 32.500 -0.047 0.000 1.301 227 K HN 0.372 nan 8.250 nan 0.000 0.433 228 C N 2.205 121.147 119.300 -0.596 0.000 2.536 228 C HA 0.304 4.771 4.460 0.010 0.000 0.396 228 C C 0.443 175.178 174.990 -0.424 0.000 1.279 228 C CA -0.427 58.099 59.018 -0.821 0.000 2.148 228 C CB -0.045 27.125 27.740 -0.950 0.000 2.584 228 C HN 0.512 nan 8.230 nan 0.000 0.579 229 V N 8.444 128.156 119.914 -0.337 0.000 2.521 229 V HA 0.258 4.384 4.120 0.010 0.000 0.286 229 V C 0.360 176.334 176.094 -0.200 0.000 1.034 229 V CA 0.472 62.617 62.300 -0.260 0.000 1.045 229 V CB 0.845 32.507 31.823 -0.268 0.000 0.974 229 V HN 0.787 nan 8.190 nan 0.000 0.480 230 M N 7.297 126.770 119.600 -0.211 0.000 2.018 230 M HA 0.533 5.019 4.480 0.010 0.000 0.311 230 M C -0.979 175.249 176.300 -0.119 0.000 0.928 230 M CA -0.057 55.114 55.300 -0.216 0.000 0.911 230 M CB 1.102 33.548 32.600 -0.258 0.000 1.447 230 M HN 0.417 nan 8.290 nan 0.000 0.407 231 L N 2.203 123.388 121.223 -0.063 0.000 2.341 231 L HA 0.564 4.910 4.340 0.010 0.000 0.267 231 L C 0.706 177.572 176.870 -0.006 0.000 1.009 231 L CA -0.942 53.871 54.840 -0.044 0.000 0.819 231 L CB 1.992 44.003 42.059 -0.080 0.000 1.323 231 L HN 0.628 nan 8.230 nan 0.000 0.425 232 K N 1.294 121.698 120.400 0.007 0.000 2.449 232 K HA -0.298 4.028 4.320 0.010 0.000 0.110 232 K C -0.063 176.550 176.600 0.020 0.000 1.308 232 K CA 2.015 58.315 56.287 0.022 0.000 0.716 232 K CB -0.727 31.798 32.500 0.042 0.000 0.474 232 K HN 0.911 nan 8.250 nan 0.000 1.048 233 S N -1.236 114.476 115.700 0.020 0.000 2.810 233 S HA 0.179 4.655 4.470 0.010 0.000 0.155 233 S C -0.923 173.701 174.600 0.040 0.000 0.649 233 S CA -0.397 57.809 58.200 0.010 0.000 0.817 233 S CB 0.482 63.684 63.200 0.003 0.000 1.488 233 S HN 0.570 nan 8.310 nan 0.000 0.504 234 R N 2.221 122.765 120.500 0.072 0.000 4.750 234 R HA 0.502 4.848 4.340 0.010 0.000 0.163 234 R C 0.774 177.130 176.300 0.094 0.000 2.099 234 R CA 1.294 57.461 56.100 0.112 0.000 1.621 234 R CB -1.283 29.139 30.300 0.203 0.000 1.341 234 R HN 1.027 nan 8.270 nan 0.000 0.819 235 G N -1.658 107.179 108.800 0.061 0.000 2.795 235 G HA2 0.226 4.192 3.960 0.010 0.000 0.127 235 G HA3 0.226 4.192 3.960 0.010 0.000 0.127 235 G C -1.237 173.683 174.900 0.033 0.000 1.203 235 G CA -0.269 44.857 45.100 0.045 0.000 1.145 235 G HN 0.095 nan 8.290 nan 0.000 0.580 236 S N 0.626 116.340 115.700 0.023 0.000 2.407 236 S HA 0.694 5.170 4.470 0.010 0.000 0.166 236 S C -0.364 174.245 174.600 0.014 0.000 1.445 236 S CA -0.345 57.867 58.200 0.019 0.000 1.260 236 S CB 0.360 63.571 63.200 0.018 0.000 1.401 236 S HN 0.590 nan 8.310 nan 0.000 0.379 237 R N 0.104 120.611 120.500 0.012 0.000 7.755 237 R HA 0.372 4.718 4.340 0.010 0.000 0.258 237 R C -0.507 175.793 176.300 -0.000 0.000 0.806 237 R CA 0.246 56.351 56.100 0.009 0.000 1.918 237 R CB -0.577 29.727 30.300 0.007 0.000 1.192 237 R HN 0.740 nan 8.270 nan 0.000 0.923 238 G N 2.013 110.815 108.800 0.004 0.000 2.361 238 G HA2 0.100 4.066 3.960 0.010 0.000 0.331 238 G HA3 0.100 4.066 3.960 0.010 0.000 0.331 238 G C -1.922 172.989 174.900 0.019 0.000 1.324 238 G CA -0.555 44.534 45.100 -0.018 0.000 0.984 238 G HN 0.743 nan 8.290 nan 0.000 0.586 239 H N -0.877 118.161 119.070 -0.053 0.000 2.495 239 H HA 0.691 5.253 4.556 0.010 0.000 0.348 239 H C -0.001 175.240 175.328 -0.144 0.000 1.113 239 H CA -0.689 55.308 56.048 -0.085 0.000 1.195 239 H CB 1.660 31.376 29.762 -0.077 0.000 1.521 239 H HN 0.510 nan 8.280 nan 0.000 0.509 240 V N 4.057 123.905 119.914 -0.110 0.000 2.720 240 V HA -0.039 4.087 4.120 0.010 0.000 0.307 240 V C 0.822 176.584 176.094 -0.553 0.000 1.071 240 V CA 0.649 62.731 62.300 -0.364 0.000 1.199 240 V CB -0.289 31.235 31.823 -0.497 0.000 0.900 240 V HN 0.759 nan 8.190 nan 0.000 0.494 241 R N 3.130 123.219 120.500 -0.685 0.000 2.832 241 R HA 0.706 5.052 4.340 0.010 0.000 0.271 241 R C -1.392 174.177 176.300 -1.219 0.000 0.996 241 R CA -0.601 55.045 56.100 -0.757 0.000 0.977 241 R CB 1.889 31.943 30.300 -0.409 0.000 1.168 241 R HN 0.533 nan 8.270 nan 0.000 0.482 242 F N 0.290 119.896 119.950 -0.573 0.000 2.546 242 F HA 0.209 4.742 4.527 0.010 0.000 0.320 242 F C 1.262 176.916 175.800 -0.242 0.000 1.076 242 F CA -0.685 57.099 58.000 -0.361 0.000 0.928 242 F CB 2.048 40.976 39.000 -0.120 0.000 1.189 242 F HN 0.519 nan 8.300 nan 0.000 0.465 243 Q N -0.520 119.397 119.800 0.195 0.000 2.384 243 Q HA 0.252 4.598 4.340 0.010 0.000 0.207 243 Q C -0.635 175.523 176.000 0.263 0.000 0.904 243 Q CA 0.380 56.371 55.803 0.312 0.000 0.933 243 Q CB 1.012 29.963 28.738 0.354 0.000 1.077 243 Q HN 0.572 nan 8.270 nan 0.000 0.522 244 D N -0.832 119.694 120.400 0.211 0.000 2.710 244 D HA 0.662 5.308 4.640 0.010 0.000 0.276 244 D C -1.916 174.325 176.300 -0.098 0.000 1.267 244 D CA -0.218 53.812 54.000 0.051 0.000 0.772 244 D CB 2.186 43.048 40.800 0.104 0.000 1.299 244 D HN 0.147 nan 8.370 nan 0.000 0.421 245 A N 0.589 123.147 122.820 -0.436 0.000 2.604 245 A HA 0.773 5.099 4.320 0.010 0.000 0.295 245 A C -1.856 175.333 177.584 -0.658 0.000 1.067 245 A CA -0.573 51.241 52.037 -0.371 0.000 0.683 245 A CB 0.958 19.813 19.000 -0.241 0.000 1.281 245 A HN 0.288 nan 8.150 nan 0.000 0.407 246 F N -0.641 119.299 119.950 -0.017 0.000 2.643 246 F HA 0.684 5.216 4.527 0.009 0.000 0.314 246 F C -0.060 175.721 175.800 -0.032 0.000 1.096 246 F CA -0.670 57.347 58.000 0.029 0.000 0.953 246 F CB 2.036 41.129 39.000 0.155 0.000 1.345 246 F HN 0.679 nan 8.300 nan 0.000 0.468 247 C N 0.601 119.983 119.300 0.136 0.000 2.634 247 C HA 0.895 5.361 4.460 0.010 0.000 0.313 247 C C 0.598 175.494 174.990 -0.157 0.000 1.198 247 C CA -0.743 58.236 59.018 -0.064 0.000 1.605 247 C CB 1.208 28.816 27.740 -0.221 0.000 2.196 247 C HN 1.045 nan 8.230 nan 0.000 0.486 248 G N 0.417 108.895 108.800 -0.537 0.000 2.753 248 G HA2 0.552 4.518 3.960 0.010 0.000 0.285 248 G HA3 0.552 4.518 3.960 0.010 0.000 0.285 248 G C 0.870 175.181 174.900 -0.981 0.000 1.344 248 G CA 0.270 44.749 45.100 -1.034 0.000 1.050 248 G HN 1.014 nan 8.290 nan 0.000 0.532 249 A N -1.292 120.977 122.820 -0.919 0.000 1.908 249 A HA 0.030 4.357 4.320 0.010 0.000 0.218 249 A C 1.200 178.281 177.584 -0.838 0.000 1.181 249 A CA 1.523 53.109 52.037 -0.752 0.000 0.627 249 A CB -0.435 18.153 19.000 -0.686 0.000 0.818 249 A HN 0.593 nan 8.150 nan 0.000 0.445 250 Y N -1.655 118.503 120.300 -0.237 0.000 2.721 250 Y HA 0.438 4.995 4.550 0.011 0.000 0.251 250 Y C -0.507 175.389 175.900 -0.006 0.000 1.136 250 Y CA -1.375 56.712 58.100 -0.022 0.000 1.142 250 Y CB 0.233 38.765 38.460 0.119 0.000 1.212 250 Y HN 0.340 nan 8.280 nan 0.000 0.565 251 F N -3.129 116.756 119.950 -0.108 0.000 2.713 251 F HA 0.853 5.386 4.527 0.010 0.000 0.311 251 F C -0.795 174.768 175.800 -0.395 0.000 1.141 251 F CA -1.544 56.262 58.000 -0.324 0.000 0.939 251 F CB 1.240 40.036 39.000 -0.339 0.000 1.325 251 F HN -0.322 nan 8.300 nan 0.000 0.453 252 T N 1.316 115.509 114.554 -0.601 0.000 2.912 252 T HA 0.661 5.017 4.350 0.010 0.000 0.299 252 T C -1.662 172.380 174.700 -1.098 0.000 1.052 252 T CA -0.493 61.142 62.100 -0.774 0.000 0.996 252 T CB 1.489 69.770 68.868 -0.978 0.000 1.070 252 T HN 0.461 nan 8.240 nan 0.000 0.465 253 F N 1.560 121.227 119.950 -0.472 0.000 2.482 253 F HA 0.730 5.264 4.527 0.011 0.000 0.331 253 F C 0.306 175.892 175.800 -0.355 0.000 1.115 253 F CA -0.846 56.830 58.000 -0.539 0.000 0.955 253 F CB 1.682 40.124 39.000 -0.930 0.000 1.136 253 F HN 0.693 nan 8.300 nan 0.000 0.452 254 A N 4.754 127.526 122.820 -0.081 0.000 2.353 254 A HA 0.786 5.112 4.320 0.010 0.000 0.299 254 A C -0.888 176.862 177.584 0.278 0.000 1.089 254 A CA -0.576 51.419 52.037 -0.070 0.000 0.736 254 A CB 0.605 19.297 19.000 -0.514 0.000 1.195 254 A HN 0.729 nan 8.150 nan 0.000 0.447 255 I N 3.094 123.872 120.570 0.347 0.000 2.315 255 I HA 0.239 4.416 4.170 0.010 0.000 0.291 255 I C 1.072 177.517 176.117 0.546 0.000 1.006 255 I CA -0.272 61.301 61.300 0.455 0.000 1.265 255 I CB 1.555 39.791 38.000 0.393 0.000 1.387 255 I HN 0.768 nan 8.210 nan 0.000 0.475 256 S N 3.560 119.559 115.700 0.497 0.000 2.608 256 S HA 0.114 4.590 4.470 0.010 0.000 0.261 256 S C 1.073 175.724 174.600 0.084 0.000 1.314 256 S CA -0.201 58.058 58.200 0.098 0.000 0.992 256 S CB 0.444 63.696 63.200 0.087 0.000 0.935 256 S HN 0.661 nan 8.310 nan 0.000 0.564 257 H N -0.155 118.892 119.070 -0.037 0.000 2.457 257 H HA -0.071 4.491 4.556 0.010 0.000 0.297 257 H C 2.060 177.367 175.328 -0.034 0.000 1.092 257 H CA 1.609 57.645 56.048 -0.020 0.000 1.309 257 H CB 0.111 29.838 29.762 -0.058 0.000 1.382 257 H HN 0.759 nan 8.280 nan 0.000 0.535 258 E N -0.439 119.779 120.200 0.030 0.000 2.285 258 E HA -0.047 4.309 4.350 0.010 0.000 0.194 258 E C 1.212 177.699 176.600 -0.189 0.000 0.997 258 E CA 0.531 56.857 56.400 -0.123 0.000 0.845 258 E CB 0.358 29.905 29.700 -0.254 0.000 0.782 258 E HN 0.635 nan 8.360 nan 0.000 0.491 259 G N 0.572 109.333 108.800 -0.065 0.000 2.168 259 G HA2 -0.199 3.767 3.960 0.010 0.000 0.197 259 G HA3 -0.199 3.767 3.960 0.010 0.000 0.197 259 G C -0.309 174.678 174.900 0.144 0.000 0.997 259 G CA 0.027 45.159 45.100 0.053 0.000 0.658 259 G HN 0.398 nan 8.290 nan 0.000 0.513 260 H N -0.312 118.899 119.070 0.235 0.000 2.582 260 H HA 0.488 5.051 4.556 0.011 0.000 0.345 260 H C 0.072 175.519 175.328 0.199 0.000 1.104 260 H CA -0.633 55.517 56.048 0.169 0.000 1.390 260 H CB 1.860 31.667 29.762 0.076 0.000 1.461 260 H HN 0.083 nan 8.280 nan 0.000 0.551 261 V N 4.496 124.528 119.914 0.198 0.000 2.364 261 V HA 0.067 4.193 4.120 0.010 0.000 0.272 261 V C -0.621 175.445 176.094 -0.046 0.000 1.036 261 V CA -0.397 61.947 62.300 0.074 0.000 0.880 261 V CB -0.398 31.326 31.823 -0.166 0.000 0.991 261 V HN 0.607 nan 8.190 nan 0.000 0.460 262 Y N 2.601 122.987 120.300 0.143 0.000 2.342 262 Y HA 0.704 5.260 4.550 0.010 0.000 0.334 262 Y C 0.810 176.728 175.900 0.031 0.000 1.067 262 Y CA -0.294 57.908 58.100 0.170 0.000 1.128 262 Y CB 2.032 40.688 38.460 0.326 0.000 1.200 262 Y HN 0.685 nan 8.280 nan 0.000 0.464 263 G N 2.898 111.778 108.800 0.133 0.000 2.495 263 G HA2 0.671 4.637 3.960 0.010 0.000 0.318 263 G HA3 0.671 4.637 3.960 0.010 0.000 0.318 263 G C -1.754 173.164 174.900 0.030 0.000 1.257 263 G CA -0.670 44.323 45.100 -0.179 0.000 0.962 263 G HN 0.474 nan 8.290 nan 0.000 0.483 264 F N -0.172 119.636 119.950 -0.236 0.000 2.619 264 F HA 0.911 5.444 4.527 0.011 0.000 0.308 264 F C 0.390 176.050 175.800 -0.233 0.000 1.097 264 F CA -0.905 56.978 58.000 -0.195 0.000 0.953 264 F CB 1.599 40.510 39.000 -0.149 0.000 1.287 264 F HN 1.329 nan 8.300 nan 0.000 0.446 265 G N 0.813 109.552 108.800 -0.101 0.000 2.298 265 G HA2 0.270 4.236 3.960 0.010 0.000 0.309 265 G HA3 0.270 4.236 3.960 0.010 0.000 0.309 265 G C -2.105 172.699 174.900 -0.160 0.000 1.279 265 G CA -0.770 44.236 45.100 -0.156 0.000 1.042 265 G HN 1.071 nan 8.290 nan 0.000 0.480 266 L N 0.657 121.862 121.223 -0.029 0.000 2.453 266 L HA 0.663 5.009 4.340 0.010 0.000 0.272 266 L C 1.179 177.959 176.870 -0.149 0.000 1.182 266 L CA 1.525 56.342 54.840 -0.038 0.000 0.858 266 L CB 1.548 43.697 42.059 0.151 0.000 1.120 266 L HN 1.083 nan 8.230 nan 0.000 0.474 267 S N 2.268 117.878 115.700 -0.150 0.000 2.949 267 S HA 0.160 4.636 4.470 0.010 0.000 0.246 267 S C 0.740 175.213 174.600 -0.213 0.000 0.899 267 S CA -0.122 57.968 58.200 -0.182 0.000 1.091 267 S CB -0.582 62.520 63.200 -0.164 0.000 1.199 267 S HN 0.885 nan 8.310 nan 0.000 0.507 268 N N 0.751 119.341 118.700 -0.182 0.000 2.453 268 N HA -0.047 4.699 4.740 0.010 0.000 0.183 268 N C 0.243 175.401 175.510 -0.586 0.000 1.041 268 N CA 0.966 53.799 53.050 -0.362 0.000 0.900 268 N CB -0.430 37.850 38.487 -0.346 0.000 0.961 268 N HN 0.590 nan 8.380 nan 0.000 0.443 269 Y N -1.040 119.158 120.300 -0.169 0.000 2.716 269 Y HA 0.256 4.813 4.550 0.011 0.000 0.260 269 Y C -0.281 175.648 175.900 0.048 0.000 1.141 269 Y CA -0.720 57.334 58.100 -0.077 0.000 1.168 269 Y CB -0.457 37.995 38.460 -0.014 0.000 1.189 269 Y HN 0.064 nan 8.280 nan 0.000 0.549 270 H N -1.059 118.037 119.070 0.044 0.000 2.992 270 H HA -0.231 4.331 4.556 0.010 0.000 0.266 270 H C 1.728 177.068 175.328 0.020 0.000 1.200 270 H CA 0.845 56.905 56.048 0.019 0.000 1.135 270 H CB -1.042 28.740 29.762 0.033 0.000 1.282 270 H HN 0.527 nan 8.280 nan 0.000 0.351 271 Q N 0.782 120.609 119.800 0.045 0.000 2.369 271 Q HA -0.041 4.305 4.340 0.010 0.000 0.206 271 Q C 1.776 177.723 176.000 -0.088 0.000 0.963 271 Q CA 1.303 57.082 55.803 -0.040 0.000 0.894 271 Q CB 0.031 28.651 28.738 -0.197 0.000 0.965 271 Q HN 0.696 nan 8.270 nan 0.000 0.475 272 L N 0.379 121.523 121.223 -0.131 0.000 2.492 272 L HA 0.110 4.457 4.340 0.010 0.000 0.223 272 L C 0.758 177.797 176.870 0.281 0.000 1.132 272 L CA 0.661 55.484 54.840 -0.027 0.000 0.850 272 L CB -0.232 41.716 42.059 -0.185 0.000 0.966 272 L HN 0.542 nan 8.230 nan 0.000 0.454 273 G N 1.086 110.028 108.800 0.236 0.000 2.204 273 G HA2 -0.239 3.727 3.960 0.010 0.000 0.244 273 G HA3 -0.239 3.727 3.960 0.010 0.000 0.244 273 G C 0.196 175.191 174.900 0.157 0.000 1.062 273 G CA 0.326 45.562 45.100 0.228 0.000 0.798 273 G HN 0.377 nan 8.290 nan 0.000 0.496 274 T N -3.032 111.603 114.554 0.135 0.000 2.918 274 T HA 0.741 5.097 4.350 0.010 0.000 0.286 274 T C -1.154 173.646 174.700 0.167 0.000 1.026 274 T CA -1.401 60.766 62.100 0.111 0.000 1.031 274 T CB 2.963 71.872 68.868 0.069 0.000 1.046 274 T HN -0.113 nan 8.240 nan 0.000 0.479 275 P HA 0.143 nan 4.420 nan 0.000 0.217 275 P C 0.889 178.320 177.300 0.219 0.000 1.151 275 P CA 0.720 63.893 63.100 0.121 0.000 0.828 275 P CB -0.152 31.581 31.700 0.055 0.000 0.788 276 G N -1.455 107.424 108.800 0.131 0.000 2.552 276 G HA2 0.403 4.369 3.960 0.010 0.000 0.318 276 G HA3 0.403 4.369 3.960 0.010 0.000 0.318 276 G C 0.391 175.228 174.900 -0.104 0.000 1.240 276 G CA 0.016 45.148 45.100 0.054 0.000 1.002 276 G HN 0.083 nan 8.290 nan 0.000 0.493 277 T N -2.169 112.267 114.554 -0.198 0.000 3.044 277 T HA 0.256 4.613 4.350 0.010 0.000 0.260 277 T C 0.254 174.839 174.700 -0.191 0.000 1.019 277 T CA -0.215 61.692 62.100 -0.322 0.000 0.921 277 T CB 0.332 68.945 68.868 -0.425 0.000 1.053 277 T HN 0.309 nan 8.240 nan 0.000 0.533 278 E N 2.388 122.526 120.200 -0.104 0.000 2.390 278 E HA 0.362 4.718 4.350 0.010 0.000 0.261 278 E C -0.092 176.480 176.600 -0.046 0.000 1.076 278 E CA -0.092 56.277 56.400 -0.050 0.000 0.905 278 E CB 0.956 30.656 29.700 -0.001 0.000 0.984 278 E HN 0.235 nan 8.360 nan 0.000 0.427 279 S N 0.695 116.384 115.700 -0.019 0.000 2.576 279 S HA 0.108 4.584 4.470 0.010 0.000 0.276 279 S C -0.177 174.359 174.600 -0.107 0.000 1.339 279 S CA -0.537 57.586 58.200 -0.129 0.000 1.039 279 S CB 0.359 63.411 63.200 -0.245 0.000 0.902 279 S HN 0.434 nan 8.310 nan 0.000 0.516 280 C N 3.836 123.019 119.300 -0.194 0.000 2.223 280 C HA 0.406 4.872 4.460 0.010 0.000 0.324 280 C C 0.982 175.897 174.990 -0.125 0.000 1.196 280 C CA -0.642 58.341 59.018 -0.057 0.000 1.628 280 C CB -1.669 26.066 27.740 -0.008 0.000 2.229 280 C HN 0.931 nan 8.230 nan 0.000 0.486 281 F N 1.272 121.229 119.950 0.011 0.000 2.387 281 F HA 0.293 4.827 4.527 0.011 0.000 0.294 281 F C 1.165 176.936 175.800 -0.048 0.000 1.093 281 F CA 0.487 58.480 58.000 -0.011 0.000 1.420 281 F CB 0.019 39.000 39.000 -0.031 0.000 1.086 281 F HN 0.378 nan 8.300 nan 0.000 0.531 282 I N 1.625 122.279 120.570 0.140 0.000 2.336 282 I HA 0.261 4.437 4.170 0.010 0.000 0.292 282 I C -2.274 173.873 176.117 0.051 0.000 0.991 282 I CA -2.197 59.125 61.300 0.036 0.000 1.227 282 I CB 1.005 39.033 38.000 0.048 0.000 1.366 282 I HN -0.316 nan 8.210 nan 0.000 0.466 283 P HA -0.047 nan 4.420 nan 0.000 0.263 283 P C -0.892 176.582 177.300 0.289 0.000 1.175 283 P CA 0.220 63.425 63.100 0.174 0.000 0.761 283 P CB 0.398 32.126 31.700 0.047 0.000 0.794 284 Q N 2.736 122.724 119.800 0.314 0.000 2.316 284 Q HA 0.234 4.580 4.340 0.010 0.000 0.264 284 Q C -0.387 175.677 176.000 0.108 0.000 0.987 284 Q CA -0.867 55.058 55.803 0.204 0.000 0.852 284 Q CB 0.873 29.680 28.738 0.115 0.000 1.287 284 Q HN 0.275 nan 8.270 nan 0.000 0.448 285 N N 4.580 123.222 118.700 -0.096 0.000 2.416 285 N HA 0.065 4.811 4.740 0.010 0.000 0.271 285 N C -0.985 174.416 175.510 -0.183 0.000 1.245 285 N CA 0.256 53.016 53.050 -0.484 0.000 0.940 285 N CB 0.195 38.412 38.487 -0.450 0.000 1.175 285 N HN 0.585 nan 8.380 nan 0.000 0.483 286 L N 3.372 124.532 121.223 -0.104 0.000 2.407 286 L HA 0.086 4.432 4.340 0.010 0.000 0.282 286 L C 1.897 178.825 176.870 0.097 0.000 1.110 286 L CA -0.305 54.580 54.840 0.076 0.000 0.863 286 L CB 0.256 42.461 42.059 0.242 0.000 1.207 286 L HN 0.566 nan 8.230 nan 0.000 0.454 287 T N -3.232 111.350 114.554 0.047 0.000 3.055 287 T HA -0.113 4.244 4.350 0.010 0.000 0.265 287 T C 1.760 176.480 174.700 0.033 0.000 1.111 287 T CA 0.728 62.846 62.100 0.030 0.000 1.118 287 T CB -0.064 68.805 68.868 0.001 0.000 0.909 287 T HN 0.660 nan 8.240 nan 0.000 0.501 288 S N 0.461 116.168 115.700 0.012 0.000 2.507 288 S HA 0.083 4.559 4.470 0.010 0.000 0.235 288 S C 0.982 175.396 174.600 -0.310 0.000 0.988 288 S CA 0.087 58.195 58.200 -0.154 0.000 0.944 288 S CB -0.840 62.215 63.200 -0.241 0.000 0.762 288 S HN 0.550 nan 8.310 nan 0.000 0.526 289 F N 1.413 121.345 119.950 -0.030 0.000 2.654 289 F HA 0.432 4.964 4.527 0.010 0.000 0.303 289 F C 0.758 176.722 175.800 0.273 0.000 1.099 289 F CA -0.743 57.260 58.000 0.004 0.000 1.270 289 F CB 0.316 39.142 39.000 -0.291 0.000 1.024 289 F HN -0.085 nan 8.300 nan 0.000 0.548 290 K N 1.112 121.696 120.400 0.306 0.000 2.350 290 K HA 0.005 4.331 4.320 0.010 0.000 0.279 290 K C 0.301 177.055 176.600 0.256 0.000 1.027 290 K CA -0.421 56.028 56.287 0.270 0.000 0.969 290 K CB 0.456 33.041 32.500 0.141 0.000 0.954 290 K HN -0.085 nan 8.250 nan 0.000 0.474 291 N N 2.083 120.925 118.700 0.238 0.000 2.399 291 N HA -0.118 4.629 4.740 0.010 0.000 0.297 291 N C 0.165 175.724 175.510 0.081 0.000 1.219 291 N CA 0.400 53.537 53.050 0.145 0.000 1.154 291 N CB -0.077 38.484 38.487 0.124 0.000 1.464 291 N HN 0.439 nan 8.380 nan 0.000 0.495 292 S N 1.133 116.873 115.700 0.067 0.000 2.378 292 S HA -0.173 4.303 4.470 0.010 0.000 0.221 292 S C 1.176 175.768 174.600 -0.013 0.000 1.037 292 S CA 2.122 60.336 58.200 0.023 0.000 1.069 292 S CB -0.245 62.963 63.200 0.012 0.000 1.006 292 S HN 0.836 nan 8.310 nan 0.000 0.423 293 T N -2.578 111.936 114.554 -0.065 0.000 3.852 293 T HA 0.153 4.509 4.350 0.010 0.000 0.302 293 T C -0.529 174.070 174.700 -0.169 0.000 0.887 293 T CA -0.585 61.466 62.100 -0.081 0.000 0.826 293 T CB -0.228 68.606 68.868 -0.056 0.000 1.185 293 T HN 0.207 nan 8.240 nan 0.000 0.787 294 K N 2.360 122.580 120.400 -0.300 0.000 2.267 294 K HA 0.618 4.944 4.320 0.010 0.000 0.282 294 K C -0.287 175.890 176.600 -0.704 0.000 1.078 294 K CA -0.295 55.628 56.287 -0.606 0.000 0.903 294 K CB 1.507 33.354 32.500 -1.088 0.000 1.111 294 K HN 0.133 nan 8.250 nan 0.000 0.475 295 S N 3.454 118.894 115.700 -0.434 0.000 2.448 295 S HA 0.167 4.643 4.470 0.010 0.000 0.279 295 S C -0.790 173.656 174.600 -0.257 0.000 1.195 295 S CA -0.858 57.194 58.200 -0.248 0.000 1.051 295 S CB 0.116 63.267 63.200 -0.083 0.000 0.948 295 S HN 0.449 nan 8.310 nan 0.000 0.493 296 W N 4.978 126.328 121.300 0.083 0.000 2.485 296 W HA 0.338 5.004 4.660 0.011 0.000 0.315 296 W C 1.211 177.779 176.519 0.082 0.000 1.304 296 W CA -0.782 56.581 57.345 0.030 0.000 1.345 296 W CB 0.674 30.220 29.460 0.142 0.000 1.368 296 W HN 0.589 nan 8.180 nan 0.000 0.497 297 V N 1.818 121.834 119.914 0.170 0.000 3.605 297 V HA 0.618 4.744 4.120 0.010 0.000 0.284 297 V C 0.512 176.653 176.094 0.078 0.000 1.386 297 V CA 0.267 62.675 62.300 0.180 0.000 1.053 297 V CB 0.130 32.024 31.823 0.118 0.000 0.857 297 V HN 0.474 nan 8.190 nan 0.000 0.436 298 G N -0.189 108.444 108.800 -0.279 0.000 2.760 298 G HA2 0.638 4.604 3.960 0.010 0.000 0.296 298 G HA3 0.638 4.604 3.960 0.010 0.000 0.296 298 G C -1.847 172.515 174.900 -0.897 0.000 1.427 298 G CA -0.458 44.313 45.100 -0.549 0.000 1.109 298 G HN 0.074 nan 8.290 nan 0.000 0.553 299 F N 1.100 120.392 119.950 -1.096 0.000 2.576 299 F HA 0.819 5.353 4.527 0.011 0.000 0.313 299 F C 0.501 176.149 175.800 -0.254 0.000 1.078 299 F CA -0.517 57.091 58.000 -0.654 0.000 0.921 299 F CB 3.013 41.540 39.000 -0.787 0.000 1.232 299 F HN 0.711 nan 8.300 nan 0.000 0.459 300 S N 0.551 116.300 115.700 0.081 0.000 2.588 300 S HA 0.973 5.449 4.470 0.010 0.000 0.269 300 S C -0.940 173.728 174.600 0.114 0.000 1.157 300 S CA -0.679 57.573 58.200 0.086 0.000 0.824 300 S CB 1.930 65.148 63.200 0.030 0.000 1.126 300 S HN 1.293 nan 8.310 nan 0.000 0.464 301 G N -0.688 108.111 108.800 -0.001 0.000 2.691 301 G HA2 0.635 4.601 3.960 0.010 0.000 0.298 301 G HA3 0.635 4.601 3.960 0.010 0.000 0.298 301 G C -0.172 174.632 174.900 -0.159 0.000 1.471 301 G CA -0.097 45.003 45.100 -0.001 0.000 0.912 301 G HN 1.069 nan 8.290 nan 0.000 0.553 302 G N -0.567 108.085 108.800 -0.247 0.000 2.630 302 G HA2 0.423 4.389 3.960 0.010 0.000 0.223 302 G HA3 0.423 4.389 3.960 0.010 0.000 0.223 302 G C 0.932 175.900 174.900 0.114 0.000 1.434 302 G CA 0.046 45.133 45.100 -0.022 0.000 1.057 302 G HN 0.653 nan 8.290 nan 0.000 0.570 303 Q N -1.097 118.760 119.800 0.094 0.000 2.050 303 Q HA -0.093 4.253 4.340 0.010 0.000 0.202 303 Q C 1.374 177.504 176.000 0.217 0.000 0.980 303 Q CA 1.709 57.553 55.803 0.069 0.000 0.840 303 Q CB -0.066 28.463 28.738 -0.348 0.000 0.898 303 Q HN 0.750 nan 8.270 nan 0.000 0.424 304 H N -1.208 118.095 119.070 0.389 0.000 2.916 304 H HA 0.166 4.729 4.556 0.010 0.000 0.262 304 H C -0.388 175.100 175.328 0.268 0.000 1.178 304 H CA -0.473 55.739 56.048 0.274 0.000 1.090 304 H CB 0.493 30.252 29.762 -0.005 0.000 1.657 304 H HN 0.257 nan 8.280 nan 0.000 0.601 305 H N -1.375 117.851 119.070 0.260 0.000 2.980 305 H HA 0.553 5.115 4.556 0.010 0.000 0.367 305 H C -1.373 174.146 175.328 0.319 0.000 1.206 305 H CA -0.971 55.205 56.048 0.213 0.000 1.126 305 H CB 1.727 31.578 29.762 0.148 0.000 1.838 305 H HN -0.088 nan 8.280 nan 0.000 0.552 306 T N 1.581 116.245 114.554 0.183 0.000 2.876 306 T HA 0.480 4.836 4.350 0.010 0.000 0.289 306 T C -0.720 174.089 174.700 0.181 0.000 1.014 306 T CA -0.598 61.622 62.100 0.200 0.000 0.986 306 T CB 1.708 70.784 68.868 0.347 0.000 1.021 306 T HN 0.440 nan 8.240 nan 0.000 0.458 307 V N 2.762 122.757 119.914 0.135 0.000 2.483 307 V HA 0.618 4.744 4.120 0.010 0.000 0.297 307 V C 0.120 176.233 176.094 0.032 0.000 1.027 307 V CA -0.831 61.574 62.300 0.175 0.000 0.855 307 V CB 1.061 33.047 31.823 0.272 0.000 0.995 307 V HN 1.233 nan 8.190 nan 0.000 0.424 308 C N 4.029 123.316 119.300 -0.021 0.000 3.108 308 C HA 1.015 5.481 4.460 0.010 0.000 0.321 308 C C -0.449 174.534 174.990 -0.012 0.000 1.357 308 C CA -1.001 57.831 59.018 -0.310 0.000 1.562 308 C CB 1.619 28.833 27.740 -0.876 0.000 2.003 308 C HN 1.029 nan 8.230 nan 0.000 0.460 309 M N 1.051 120.603 119.600 -0.081 0.000 2.520 309 M HA 0.703 5.190 4.480 0.010 0.000 0.283 309 M C -1.586 174.791 176.300 0.129 0.000 1.237 309 M CA -0.251 55.143 55.300 0.157 0.000 0.885 309 M CB 2.091 34.725 32.600 0.056 0.000 1.727 309 M HN 0.850 nan 8.290 nan 0.000 0.468 310 D N 1.006 121.451 120.400 0.075 0.000 2.564 310 D HA 0.427 5.073 4.640 0.010 0.000 0.273 310 D C 0.604 176.846 176.300 -0.097 0.000 1.192 310 D CA -0.232 53.646 54.000 -0.204 0.000 1.080 310 D CB 0.637 41.128 40.800 -0.516 0.000 1.160 310 D HN 0.750 nan 8.370 nan 0.000 0.607 311 S N -2.212 113.406 115.700 -0.135 0.000 2.593 311 S HA 0.043 4.519 4.470 0.010 0.000 0.217 311 S C 0.398 174.964 174.600 -0.057 0.000 0.966 311 S CA -0.152 58.008 58.200 -0.066 0.000 0.914 311 S CB -0.583 62.581 63.200 -0.060 0.000 0.776 311 S HN 0.521 nan 8.310 nan 0.000 0.523 312 E N 0.919 121.078 120.200 -0.068 0.000 2.585 312 E HA 0.386 4.742 4.350 0.010 0.000 0.206 312 E C 0.677 177.253 176.600 -0.040 0.000 1.007 312 E CA -0.158 56.212 56.400 -0.050 0.000 1.028 312 E CB 0.265 29.930 29.700 -0.059 0.000 1.087 312 E HN 0.558 nan 8.360 nan 0.000 0.455 313 G N 2.035 110.818 108.800 -0.029 0.000 2.176 313 G HA2 -0.325 3.641 3.960 0.010 0.000 0.252 313 G HA3 -0.325 3.641 3.960 0.010 0.000 0.252 313 G C -0.034 174.835 174.900 -0.052 0.000 1.024 313 G CA 0.301 45.383 45.100 -0.030 0.000 0.755 313 G HN 0.179 nan 8.290 nan 0.000 0.507 314 K N -0.127 120.248 120.400 -0.042 0.000 2.259 314 K HA 0.762 5.088 4.320 0.010 0.000 0.252 314 K C 0.114 176.675 176.600 -0.065 0.000 0.936 314 K CA -0.070 56.141 56.287 -0.127 0.000 0.810 314 K CB 2.059 34.442 32.500 -0.194 0.000 1.143 314 K HN 0.501 nan 8.250 nan 0.000 0.427 315 A N 2.555 125.263 122.820 -0.186 0.000 2.340 315 A HA 0.725 5.051 4.320 0.010 0.000 0.331 315 A C -1.534 175.934 177.584 -0.194 0.000 1.140 315 A CA -0.506 51.520 52.037 -0.018 0.000 0.801 315 A CB 0.477 19.503 19.000 0.043 0.000 1.234 315 A HN 0.614 nan 8.150 nan 0.000 0.469 316 Y N 0.100 120.442 120.300 0.070 0.000 2.576 316 Y HA 0.657 5.213 4.550 0.010 0.000 0.346 316 Y C 0.593 176.529 175.900 0.060 0.000 1.018 316 Y CA -0.598 57.536 58.100 0.057 0.000 1.050 316 Y CB 2.374 40.904 38.460 0.117 0.000 1.280 316 Y HN 0.822 nan 8.280 nan 0.000 0.474 317 S N 2.429 118.250 115.700 0.202 0.000 2.599 317 S HA 0.980 5.457 4.470 0.010 0.000 0.287 317 S C -1.265 173.425 174.600 0.151 0.000 1.105 317 S CA -0.835 57.481 58.200 0.193 0.000 0.899 317 S CB 2.025 65.345 63.200 0.201 0.000 1.100 317 S HN 0.832 nan 8.310 nan 0.000 0.482 318 L N -1.986 119.342 121.223 0.175 0.000 2.622 318 L HA 0.966 5.312 4.340 0.010 0.000 0.258 318 L C 0.082 177.066 176.870 0.191 0.000 0.996 318 L CA -0.534 54.393 54.840 0.144 0.000 0.858 318 L CB 1.188 43.311 42.059 0.106 0.000 1.449 318 L HN 1.440 nan 8.230 nan 0.000 0.411 319 G N 0.777 109.683 108.800 0.177 0.000 2.378 319 G HA2 -0.098 3.869 3.960 0.010 0.000 0.198 319 G HA3 -0.098 3.869 3.960 0.010 0.000 0.198 319 G C -1.142 173.862 174.900 0.175 0.000 1.223 319 G CA -0.251 44.977 45.100 0.214 0.000 1.088 319 G HN 0.990 nan 8.290 nan 0.000 0.530 320 R N 0.818 121.385 120.500 0.112 0.000 2.442 320 R HA 0.518 4.865 4.340 0.010 0.000 0.291 320 R C 1.475 177.718 176.300 -0.095 0.000 1.069 320 R CA 0.891 56.939 56.100 -0.087 0.000 1.022 320 R CB 0.696 30.689 30.300 -0.512 0.000 0.976 320 R HN 1.145 nan 8.270 nan 0.000 0.443 321 A N 4.219 126.989 122.820 -0.083 0.000 2.081 321 A HA 0.024 4.350 4.320 0.010 0.000 0.214 321 A C 0.161 177.583 177.584 -0.270 0.000 1.158 321 A CA 0.203 52.191 52.037 -0.082 0.000 0.724 321 A CB -0.066 18.984 19.000 0.082 0.000 0.826 321 A HN 0.847 nan 8.150 nan 0.000 0.463 322 E N -0.559 119.455 120.200 -0.311 0.000 2.502 322 E HA 0.076 4.432 4.350 0.010 0.000 0.261 322 E C -0.507 175.688 176.600 -0.675 0.000 0.974 322 E CA 0.204 56.309 56.400 -0.493 0.000 0.936 322 E CB -0.110 29.185 29.700 -0.675 0.000 0.926 322 E HN 0.427 nan 8.360 nan 0.000 0.459 323 Y N 0.779 120.799 120.300 -0.466 0.000 4.668 323 Y HA -0.268 4.288 4.550 0.010 0.000 0.234 323 Y C 1.179 176.393 175.900 -1.144 0.000 1.056 323 Y CA 1.030 58.789 58.100 -0.568 0.000 2.025 323 Y CB -2.266 36.028 38.460 -0.277 0.000 1.613 323 Y HN 0.912 nan 8.280 nan 0.000 0.653 324 G N -0.330 107.357 108.800 -1.855 0.000 2.157 324 G HA2 -0.405 3.561 3.960 0.010 0.000 0.248 324 G HA3 -0.405 3.561 3.960 0.010 0.000 0.248 324 G C 1.178 175.794 174.900 -0.472 0.000 0.979 324 G CA 0.607 44.836 45.100 -1.451 0.000 0.650 324 G HN 0.814 nan 8.290 nan 0.000 0.529 325 R N 0.138 120.401 120.500 -0.395 0.000 2.285 325 R HA 0.223 4.569 4.340 0.010 0.000 0.213 325 R C 2.040 178.393 176.300 0.089 0.000 1.068 325 R CA 1.327 57.289 56.100 -0.229 0.000 1.004 325 R CB -0.331 29.588 30.300 -0.635 0.000 0.873 325 R HN 0.462 nan 8.270 nan 0.000 0.467 326 L N 0.419 121.658 121.223 0.026 0.000 2.341 326 L HA 0.198 4.544 4.340 0.010 0.000 0.214 326 L C 1.198 177.980 176.870 -0.147 0.000 1.115 326 L CA 0.693 55.587 54.840 0.090 0.000 0.820 326 L CB -0.242 41.838 42.059 0.035 0.000 0.944 326 L HN 0.587 nan 8.230 nan 0.000 0.452 327 G N 0.731 109.332 108.800 -0.332 0.000 2.176 327 G HA2 -0.281 3.685 3.960 0.010 0.000 0.252 327 G HA3 -0.281 3.685 3.960 0.010 0.000 0.252 327 G C 0.548 175.168 174.900 -0.467 0.000 1.024 327 G CA 0.230 44.822 45.100 -0.847 0.000 0.755 327 G HN 0.353 nan 8.290 nan 0.000 0.507 328 L N -0.021 121.090 121.223 -0.186 0.000 2.700 328 L HA 0.509 4.855 4.340 0.010 0.000 0.234 328 L C 1.470 178.331 176.870 -0.015 0.000 1.156 328 L CA 0.315 55.093 54.840 -0.103 0.000 0.946 328 L CB -0.219 41.813 42.059 -0.044 0.000 1.216 328 L HN 1.069 nan 8.230 nan 0.000 0.493 329 G N 0.249 109.078 108.800 0.048 0.000 2.663 329 G HA2 -0.142 3.824 3.960 0.010 0.000 0.686 329 G HA3 -0.142 3.824 3.960 0.010 0.000 0.686 329 G C -0.607 174.397 174.900 0.175 0.000 1.288 329 G CA -1.037 44.116 45.100 0.089 0.000 0.836 329 G HN 0.044 nan 8.290 nan 0.000 0.584 330 E N 0.196 120.415 120.200 0.032 0.000 2.415 330 E HA 0.398 4.754 4.350 0.010 0.000 0.262 330 E C 1.465 177.926 176.600 -0.232 0.000 1.038 330 E CA 1.161 57.417 56.400 -0.240 0.000 0.921 330 E CB 0.602 30.128 29.700 -0.290 0.000 0.950 330 E HN 2.327 nan 8.360 nan 0.000 0.438 331 G N 1.277 109.803 108.800 -0.456 0.000 2.155 331 G HA2 -0.313 3.653 3.960 0.010 0.000 0.257 331 G HA3 -0.313 3.653 3.960 0.010 0.000 0.257 331 G C 0.517 175.401 174.900 -0.026 0.000 0.983 331 G CA 0.329 45.288 45.100 -0.235 0.000 0.676 331 G HN 0.816 nan 8.290 nan 0.000 0.528 332 A N -0.373 122.528 122.820 0.136 0.000 2.483 332 A HA 0.569 4.896 4.320 0.010 0.000 0.238 332 A C 0.532 178.229 177.584 0.189 0.000 1.070 332 A CA 0.694 52.841 52.037 0.184 0.000 0.770 332 A CB 0.324 19.474 19.000 0.249 0.000 1.008 332 A HN 0.568 nan 8.150 nan 0.000 0.497 333 E N 0.449 120.712 120.200 0.106 0.000 2.281 333 E HA 0.287 4.643 4.350 0.010 0.000 0.262 333 E C -0.704 175.937 176.600 0.069 0.000 0.933 333 E CA -0.878 55.573 56.400 0.084 0.000 0.809 333 E CB 1.495 31.224 29.700 0.047 0.000 1.242 333 E HN 0.807 nan 8.360 nan 0.000 0.418 334 E N 1.709 121.952 120.200 0.071 0.000 2.608 334 E HA -0.097 4.259 4.350 0.010 0.000 0.259 334 E C -0.797 175.822 176.600 0.032 0.000 0.951 334 E CA 0.459 56.908 56.400 0.082 0.000 0.945 334 E CB 0.426 30.209 29.700 0.138 0.000 0.916 334 E HN 0.079 nan 8.360 nan 0.000 0.477 335 K N 2.087 122.514 120.400 0.044 0.000 2.207 335 K HA 0.196 4.522 4.320 0.010 0.000 0.255 335 K C -0.006 176.587 176.600 -0.012 0.000 0.941 335 K CA -0.477 55.809 56.287 -0.001 0.000 0.825 335 K CB 1.932 34.445 32.500 0.023 0.000 1.119 335 K HN 0.527 nan 8.250 nan 0.000 0.430 336 S N 0.251 115.894 115.700 -0.095 0.000 2.578 336 S HA 0.254 4.731 4.470 0.010 0.000 0.231 336 S C 0.682 175.245 174.600 -0.061 0.000 0.994 336 S CA -0.505 57.650 58.200 -0.075 0.000 0.956 336 S CB -0.628 62.415 63.200 -0.261 0.000 0.870 336 S HN 0.593 nan 8.310 nan 0.000 0.494 337 I N -2.017 118.496 120.570 -0.096 0.000 2.865 337 I HA 0.635 4.811 4.170 0.010 0.000 0.302 337 I C -3.087 172.911 176.117 -0.197 0.000 1.140 337 I CA -3.110 58.074 61.300 -0.193 0.000 1.021 337 I CB 2.044 39.946 38.000 -0.163 0.000 1.233 337 I HN -0.298 nan 8.210 nan 0.000 0.427 338 P HA 0.055 nan 4.420 nan 0.000 0.262 338 P C -0.601 176.728 177.300 0.049 0.000 1.199 338 P CA 0.397 63.345 63.100 -0.254 0.000 0.763 338 P CB 0.391 31.666 31.700 -0.709 0.000 0.790 339 T N 4.763 119.418 114.554 0.169 0.000 2.786 339 T HA 0.248 4.604 4.350 0.010 0.000 0.283 339 T C 0.166 174.958 174.700 0.153 0.000 0.992 339 T CA -0.611 61.587 62.100 0.163 0.000 0.954 339 T CB 0.781 69.682 68.868 0.055 0.000 0.934 339 T HN 0.218 nan 8.240 nan 0.000 0.440 340 L N 4.576 125.847 121.223 0.080 0.000 2.540 340 L HA 0.274 4.620 4.340 0.010 0.000 0.276 340 L C -0.247 176.461 176.870 -0.270 0.000 1.212 340 L CA 0.364 55.006 54.840 -0.330 0.000 0.893 340 L CB -0.101 41.771 42.059 -0.312 0.000 1.138 340 L HN 0.618 nan 8.230 nan 0.000 0.491 341 I N 5.426 125.782 120.570 -0.357 0.000 2.268 341 I HA 0.078 4.254 4.170 0.010 0.000 0.290 341 I C 1.299 177.224 176.117 -0.319 0.000 1.125 341 I CA 0.068 61.168 61.300 -0.334 0.000 1.236 341 I CB 0.242 37.993 38.000 -0.415 0.000 1.469 341 I HN 0.886 nan 8.210 nan 0.000 0.512 342 S N 4.562 120.111 115.700 -0.251 0.000 2.428 342 S HA -0.092 4.384 4.470 0.010 0.000 0.230 342 S C 1.748 176.227 174.600 -0.201 0.000 1.014 342 S CA 0.470 58.543 58.200 -0.211 0.000 0.957 342 S CB -0.157 62.952 63.200 -0.152 0.000 0.784 342 S HN 0.613 nan 8.310 nan 0.000 0.499 343 R N 0.582 120.954 120.500 -0.214 0.000 2.339 343 R HA 0.288 4.634 4.340 0.010 0.000 0.199 343 R C -0.136 176.009 176.300 -0.258 0.000 1.018 343 R CA 0.159 56.146 56.100 -0.188 0.000 1.036 343 R CB -0.424 29.783 30.300 -0.155 0.000 0.899 343 R HN 0.432 nan 8.270 nan 0.000 0.473 344 L N 0.936 121.963 121.223 -0.327 0.000 2.360 344 L HA 0.365 4.711 4.340 0.010 0.000 0.271 344 L C -1.866 174.797 176.870 -0.345 0.000 1.057 344 L CA -2.396 52.163 54.840 -0.467 0.000 0.803 344 L CB 0.659 42.472 42.059 -0.411 0.000 1.207 344 L HN -0.193 nan 8.230 nan 0.000 0.445 345 P HA 0.076 nan 4.420 nan 0.000 0.274 345 P C -0.792 176.418 177.300 -0.149 0.000 1.264 345 P CA -0.483 62.501 63.100 -0.192 0.000 0.795 345 P CB 0.348 31.972 31.700 -0.128 0.000 1.064 346 A N 0.223 122.994 122.820 -0.082 0.000 2.540 346 A HA 0.256 4.582 4.320 0.010 0.000 0.239 346 A C -0.070 177.490 177.584 -0.040 0.000 1.061 346 A CA 0.058 52.060 52.037 -0.060 0.000 0.758 346 A CB -0.523 18.457 19.000 -0.033 0.000 0.991 346 A HN 0.300 nan 8.150 nan 0.000 0.502 347 V N 2.857 122.751 119.914 -0.033 0.000 2.532 347 V HA 0.399 4.525 4.120 0.010 0.000 0.295 347 V C 1.201 177.309 176.094 0.022 0.000 1.041 347 V CA 0.489 62.788 62.300 -0.000 0.000 0.926 347 V CB 1.644 33.468 31.823 0.002 0.000 0.992 347 V HN 1.210 nan 8.190 nan 0.000 0.457 348 S N 1.589 117.316 115.700 0.044 0.000 2.564 348 S HA 0.231 4.707 4.470 0.010 0.000 0.231 348 S C 0.591 175.225 174.600 0.058 0.000 1.067 348 S CA 0.392 58.621 58.200 0.047 0.000 0.908 348 S CB 0.393 63.623 63.200 0.050 0.000 0.809 348 S HN 0.995 nan 8.310 nan 0.000 0.491 349 S N 0.429 116.171 115.700 0.069 0.000 2.570 349 S HA 0.783 5.259 4.470 0.010 0.000 0.270 349 S C -0.943 173.708 174.600 0.085 0.000 1.149 349 S CA -0.308 57.934 58.200 0.071 0.000 0.837 349 S CB 1.537 64.778 63.200 0.070 0.000 1.124 349 S HN 1.160 nan 8.310 nan 0.000 0.465 350 V N -2.061 117.896 119.914 0.072 0.000 3.040 350 V HA 1.086 5.213 4.120 0.010 0.000 0.312 350 V C -0.233 175.900 176.094 0.065 0.000 1.115 350 V CA -0.536 61.821 62.300 0.094 0.000 0.998 350 V CB 0.908 32.792 31.823 0.101 0.000 1.042 350 V HN 2.012 nan 8.190 nan 0.000 0.433 351 A N 0.747 123.612 122.820 0.075 0.000 2.610 351 A HA 0.880 5.207 4.320 0.010 0.000 0.291 351 A C -1.019 176.609 177.584 0.074 0.000 1.086 351 A CA -0.375 51.691 52.037 0.048 0.000 0.677 351 A CB 1.578 20.577 19.000 -0.002 0.000 1.278 351 A HN 1.343 nan 8.150 nan 0.000 0.414 352 C N 0.009 119.331 119.300 0.036 0.000 2.634 352 C HA 0.906 5.373 4.460 0.010 0.000 0.313 352 C C 1.055 176.076 174.990 0.051 0.000 1.198 352 C CA 0.077 59.119 59.018 0.041 0.000 1.605 352 C CB 1.438 29.113 27.740 -0.108 0.000 2.196 352 C HN 1.300 nan 8.230 nan 0.000 0.486 353 G N 0.442 109.310 108.800 0.112 0.000 2.753 353 G HA2 0.544 4.510 3.960 0.010 0.000 0.285 353 G HA3 0.544 4.510 3.960 0.010 0.000 0.285 353 G C 0.915 175.868 174.900 0.088 0.000 1.344 353 G CA 0.302 45.441 45.100 0.064 0.000 1.050 353 G HN 1.022 nan 8.290 nan 0.000 0.532 354 A N -0.699 122.154 122.820 0.054 0.000 1.892 354 A HA 0.069 4.395 4.320 0.010 0.000 0.218 354 A C 1.896 179.557 177.584 0.129 0.000 1.188 354 A CA 2.481 54.557 52.037 0.066 0.000 0.631 354 A CB -0.313 18.715 19.000 0.047 0.000 0.822 354 A HN 0.666 nan 8.150 nan 0.000 0.447 355 S N -1.721 114.024 115.700 0.076 0.000 2.952 355 S HA 0.408 4.885 4.470 0.010 0.000 0.251 355 S C -0.296 174.197 174.600 -0.178 0.000 1.021 355 S CA 0.164 58.348 58.200 -0.027 0.000 1.067 355 S CB 0.461 63.668 63.200 0.012 0.000 1.002 355 S HN 0.761 nan 8.310 nan 0.000 0.574 356 V N -1.683 118.163 119.914 -0.114 0.000 3.040 356 V HA 1.070 5.196 4.120 0.010 0.000 0.312 356 V C -0.076 175.807 176.094 -0.351 0.000 1.115 356 V CA -0.774 61.331 62.300 -0.326 0.000 0.998 356 V CB 1.490 33.118 31.823 -0.325 0.000 1.042 356 V HN 0.191 nan 8.190 nan 0.000 0.433 357 G N 0.588 108.795 108.800 -0.989 0.000 2.563 357 G HA2 0.778 4.744 3.960 0.010 0.000 0.302 357 G HA3 0.778 4.744 3.960 0.010 0.000 0.302 357 G C -2.183 171.457 174.900 -2.100 0.000 1.301 357 G CA -0.749 43.644 45.100 -1.178 0.000 0.965 357 G HN 0.742 nan 8.290 nan 0.000 0.480 358 Y N -0.710 118.954 120.300 -1.059 0.000 2.562 358 Y HA 0.707 5.263 4.550 0.010 0.000 0.345 358 Y C 0.173 175.967 175.900 -0.176 0.000 1.045 358 Y CA -0.810 56.899 58.100 -0.650 0.000 1.028 358 Y CB 2.831 41.123 38.460 -0.281 0.000 1.297 358 Y HN 0.850 nan 8.280 nan 0.000 0.463 359 A N 1.365 124.372 122.820 0.312 0.000 2.398 359 A HA 0.752 5.078 4.320 0.010 0.000 0.301 359 A C -1.761 176.000 177.584 0.296 0.000 1.041 359 A CA -0.706 51.526 52.037 0.325 0.000 0.711 359 A CB 0.961 20.188 19.000 0.378 0.000 1.240 359 A HN 0.470 nan 8.150 nan 0.000 0.420 360 V N 2.809 122.840 119.914 0.196 0.000 2.432 360 V HA 0.509 4.636 4.120 0.010 0.000 0.275 360 V C 0.939 177.118 176.094 0.142 0.000 1.043 360 V CA 0.091 62.492 62.300 0.168 0.000 0.925 360 V CB 1.288 33.172 31.823 0.102 0.000 0.985 360 V HN 1.067 nan 8.190 nan 0.000 0.466 361 T N 1.684 116.336 114.554 0.163 0.000 2.902 361 T HA 0.356 4.712 4.350 0.010 0.000 0.280 361 T C 0.906 175.653 174.700 0.079 0.000 0.992 361 T CA -0.722 61.441 62.100 0.106 0.000 1.015 361 T CB 1.258 70.206 68.868 0.133 0.000 1.044 361 T HN 0.536 nan 8.240 nan 0.000 0.520 362 K N 0.270 120.699 120.400 0.050 0.000 2.209 362 K HA -0.084 4.242 4.320 0.010 0.000 0.204 362 K C 1.330 177.957 176.600 0.046 0.000 1.048 362 K CA 1.498 57.809 56.287 0.040 0.000 0.940 362 K CB -0.155 32.359 32.500 0.024 0.000 0.729 362 K HN 0.793 nan 8.250 nan 0.000 0.451 363 D N -1.000 119.433 120.400 0.056 0.000 2.328 363 D HA 0.037 4.684 4.640 0.010 0.000 0.226 363 D C 0.781 177.121 176.300 0.067 0.000 1.066 363 D CA 0.497 54.532 54.000 0.057 0.000 0.861 363 D CB 0.266 41.101 40.800 0.059 0.000 0.912 363 D HN 0.193 nan 8.370 nan 0.000 0.521 364 G N 0.015 108.861 108.800 0.077 0.000 2.130 364 G HA2 -0.273 3.693 3.960 0.010 0.000 0.216 364 G HA3 -0.273 3.693 3.960 0.010 0.000 0.216 364 G C 0.104 175.055 174.900 0.085 0.000 0.999 364 G CA -0.261 44.881 45.100 0.071 0.000 0.686 364 G HN 0.450 nan 8.290 nan 0.000 0.515 365 R N -1.296 119.285 120.500 0.135 0.000 2.782 365 R HA 0.814 5.160 4.340 0.010 0.000 0.258 365 R C -0.649 175.773 176.300 0.203 0.000 1.055 365 R CA -0.638 55.550 56.100 0.147 0.000 1.065 365 R CB 2.317 32.745 30.300 0.212 0.000 1.172 365 R HN 0.373 nan 8.270 nan 0.000 0.510 366 V N 2.131 122.122 119.914 0.127 0.000 2.686 366 V HA 0.533 4.659 4.120 0.010 0.000 0.306 366 V C -1.696 174.482 176.094 0.140 0.000 1.065 366 V CA -0.592 61.833 62.300 0.209 0.000 0.894 366 V CB 1.509 33.396 31.823 0.106 0.000 1.004 366 V HN 0.499 nan 8.190 nan 0.000 0.424 367 F N 4.585 124.656 119.950 0.202 0.000 2.508 367 F HA 0.914 5.445 4.527 0.007 0.000 0.325 367 F C 0.496 176.450 175.800 0.257 0.000 1.090 367 F CA -0.135 58.014 58.000 0.250 0.000 0.945 367 F CB 2.222 41.401 39.000 0.298 0.000 1.156 367 F HN 0.717 nan 8.300 nan 0.000 0.463 368 A N 2.341 125.354 122.820 0.322 0.000 2.469 368 A HA 0.926 5.252 4.320 0.010 0.000 0.299 368 A C -2.001 175.639 177.584 0.093 0.000 1.098 368 A CA -0.638 51.328 52.037 -0.118 0.000 0.737 368 A CB 1.315 20.260 19.000 -0.093 0.000 1.312 368 A HN 0.917 nan 8.150 nan 0.000 0.414 369 W N -0.575 120.553 121.300 -0.288 0.000 3.059 369 W HA 0.711 5.376 4.660 0.008 0.000 0.329 369 W C 0.078 176.432 176.519 -0.275 0.000 1.246 369 W CA -0.364 56.863 57.345 -0.195 0.000 1.190 369 W CB 0.273 29.664 29.460 -0.115 0.000 1.423 369 W HN 2.198 nan 8.180 nan 0.000 0.571 370 G N 0.396 109.179 108.800 -0.028 0.000 2.384 370 G HA2 -0.001 3.965 3.960 0.010 0.000 0.204 370 G HA3 -0.001 3.965 3.960 0.010 0.000 0.204 370 G C -1.055 173.733 174.900 -0.185 0.000 1.237 370 G CA -0.650 44.337 45.100 -0.189 0.000 1.060 370 G HN 1.171 nan 8.290 nan 0.000 0.514 371 M N 2.145 121.643 119.600 -0.170 0.000 2.268 371 M HA 0.431 4.917 4.480 0.010 0.000 0.349 371 M C 1.513 177.716 176.300 -0.163 0.000 1.485 371 M CA 1.141 56.346 55.300 -0.159 0.000 1.094 371 M CB 0.560 33.082 32.600 -0.130 0.000 1.843 371 M HN 1.014 nan 8.290 nan 0.000 0.460 372 G N 2.252 110.947 108.800 -0.176 0.000 2.777 372 G HA2 -0.050 3.916 3.960 0.010 0.000 0.211 372 G HA3 -0.050 3.916 3.960 0.010 0.000 0.211 372 G C 1.020 175.761 174.900 -0.264 0.000 1.149 372 G CA 0.470 45.457 45.100 -0.187 0.000 0.785 372 G HN 0.802 nan 8.290 nan 0.000 0.536 373 T N 1.863 116.271 114.554 -0.243 0.000 2.699 373 T HA -0.168 4.189 4.350 0.010 0.000 0.268 373 T C 1.929 176.502 174.700 -0.211 0.000 1.036 373 T CA 1.217 63.171 62.100 -0.244 0.000 1.147 373 T CB -0.155 68.608 68.868 -0.175 0.000 0.862 373 T HN 0.267 nan 8.240 nan 0.000 0.446 374 N N 0.354 118.996 118.700 -0.098 0.000 2.383 374 N HA 0.051 4.797 4.740 0.010 0.000 0.192 374 N C -0.375 175.238 175.510 0.171 0.000 1.141 374 N CA 0.089 53.167 53.050 0.047 0.000 0.851 374 N CB -0.183 38.343 38.487 0.065 0.000 0.976 374 N HN 0.462 nan 8.380 nan 0.000 0.465 375 Y N -0.096 120.213 120.300 0.016 0.000 3.929 375 Y HA -0.280 4.276 4.550 0.010 0.000 0.225 375 Y C 1.229 177.153 175.900 0.040 0.000 1.200 375 Y CA 0.274 58.388 58.100 0.023 0.000 1.791 375 Y CB -2.607 35.867 38.460 0.023 0.000 1.561 375 Y HN 0.220 nan 8.280 nan 0.000 0.657 376 Q N -0.194 119.680 119.800 0.124 0.000 2.389 376 Q HA 0.048 4.395 4.340 0.010 0.000 0.204 376 Q C 1.879 177.979 176.000 0.168 0.000 0.944 376 Q CA 0.848 56.736 55.803 0.142 0.000 0.908 376 Q CB 0.088 28.903 28.738 0.128 0.000 1.002 376 Q HN 0.680 nan 8.270 nan 0.000 0.493 377 L N -0.902 120.376 121.223 0.092 0.000 2.313 377 L HA 0.062 4.408 4.340 0.010 0.000 0.214 377 L C 1.302 178.238 176.870 0.111 0.000 1.119 377 L CA 0.696 55.578 54.840 0.069 0.000 0.809 377 L CB -0.266 41.794 42.059 0.001 0.000 0.933 377 L HN 0.416 nan 8.230 nan 0.000 0.449 378 G N 0.236 109.107 108.800 0.118 0.000 2.147 378 G HA2 -0.327 3.639 3.960 0.010 0.000 0.244 378 G HA3 -0.327 3.639 3.960 0.010 0.000 0.244 378 G C 0.883 175.828 174.900 0.074 0.000 1.005 378 G CA 0.684 45.841 45.100 0.096 0.000 0.713 378 G HN 0.400 nan 8.290 nan 0.000 0.515 379 T N -3.144 111.459 114.554 0.081 0.000 3.043 379 T HA 0.399 4.756 4.350 0.010 0.000 0.263 379 T C 2.493 177.243 174.700 0.085 0.000 1.094 379 T CA 1.776 63.915 62.100 0.066 0.000 1.127 379 T CB 0.223 69.125 68.868 0.057 0.000 0.905 379 T HN 2.181 nan 8.240 nan 0.000 0.490 380 G N 0.484 109.367 108.800 0.137 0.000 2.194 380 G HA2 -0.173 3.794 3.960 0.010 0.000 0.236 380 G HA3 -0.173 3.794 3.960 0.010 0.000 0.236 380 G C -0.059 175.001 174.900 0.267 0.000 0.987 380 G CA 0.037 45.229 45.100 0.155 0.000 0.635 380 G HN 0.669 nan 8.290 nan 0.000 0.520 381 Q N 0.145 120.082 119.800 0.228 0.000 2.445 381 Q HA 0.517 4.863 4.340 0.010 0.000 0.281 381 Q C -0.134 175.793 176.000 -0.121 0.000 1.101 381 Q CA -0.095 55.806 55.803 0.163 0.000 0.833 381 Q CB 1.554 30.332 28.738 0.066 0.000 1.416 381 Q HN 0.392 nan 8.270 nan 0.000 0.451 382 D N -0.795 119.415 120.400 -0.317 0.000 2.424 382 D HA 0.045 4.692 4.640 0.010 0.000 0.220 382 D C -0.411 175.726 176.300 -0.271 0.000 1.150 382 D CA -0.070 53.573 54.000 -0.594 0.000 0.831 382 D CB 0.602 40.932 40.800 -0.784 0.000 0.981 382 D HN 0.204 nan 8.370 nan 0.000 0.500 383 E N 1.099 121.217 120.200 -0.135 0.000 2.343 383 E HA 0.161 4.517 4.350 0.010 0.000 0.269 383 E C 0.058 176.634 176.600 -0.041 0.000 1.047 383 E CA -0.407 55.959 56.400 -0.058 0.000 0.874 383 E CB 1.062 30.764 29.700 0.002 0.000 1.033 383 E HN 0.167 nan 8.360 nan 0.000 0.409 384 D N 0.517 120.919 120.400 0.003 0.000 2.357 384 D HA 0.330 4.976 4.640 0.010 0.000 0.242 384 D C -0.474 175.886 176.300 0.101 0.000 1.153 384 D CA 0.003 54.011 54.000 0.013 0.000 0.918 384 D CB 0.785 41.620 40.800 0.059 0.000 1.181 384 D HN 0.393 nan 8.370 nan 0.000 0.435 385 A N 0.987 123.840 122.820 0.055 0.000 2.340 385 A HA 0.326 4.653 4.320 0.010 0.000 0.297 385 A C -0.330 177.334 177.584 0.134 0.000 1.195 385 A CA -0.794 51.333 52.037 0.149 0.000 0.769 385 A CB 0.243 19.319 19.000 0.126 0.000 1.163 385 A HN 0.593 nan 8.150 nan 0.000 0.472 386 W N 2.002 123.339 121.300 0.062 0.000 2.905 386 W HA 0.197 4.863 4.660 0.010 0.000 0.251 386 W C 0.590 177.100 176.519 -0.015 0.000 1.305 386 W CA 0.467 57.834 57.345 0.037 0.000 1.465 386 W CB 0.351 29.820 29.460 0.015 0.000 1.122 386 W HN 0.529 nan 8.180 nan 0.000 0.659 387 S N -0.518 115.292 115.700 0.184 0.000 2.536 387 S HA 0.436 4.912 4.470 0.010 0.000 0.298 387 S C -2.578 172.084 174.600 0.104 0.000 1.083 387 S CA -1.415 56.816 58.200 0.051 0.000 0.995 387 S CB 1.771 65.005 63.200 0.058 0.000 1.058 387 S HN -0.418 nan 8.310 nan 0.000 0.488 388 P HA 0.149 nan 4.420 nan 0.000 0.262 388 P C -1.292 176.234 177.300 0.377 0.000 1.182 388 P CA -0.030 63.256 63.100 0.311 0.000 0.761 388 P CB 0.322 32.114 31.700 0.154 0.000 0.795 389 V N 3.210 123.344 119.914 0.366 0.000 2.531 389 V HA 0.225 4.351 4.120 0.010 0.000 0.301 389 V C 0.286 176.363 176.094 -0.029 0.000 1.034 389 V CA -0.786 61.623 62.300 0.181 0.000 0.865 389 V CB 1.593 33.484 31.823 0.113 0.000 0.995 389 V HN 0.500 nan 8.190 nan 0.000 0.424 390 E N 4.941 124.916 120.200 -0.375 0.000 2.366 390 E HA 0.204 4.561 4.350 0.010 0.000 0.266 390 E C -0.389 176.014 176.600 -0.328 0.000 1.015 390 E CA -0.375 55.518 56.400 -0.846 0.000 0.906 390 E CB 0.618 29.736 29.700 -0.971 0.000 0.979 390 E HN 0.579 nan 8.360 nan 0.000 0.443 391 M N 5.203 124.661 119.600 -0.237 0.000 2.200 391 M HA 0.188 4.674 4.480 0.010 0.000 0.355 391 M C 0.111 176.356 176.300 -0.091 0.000 1.283 391 M CA 0.695 55.943 55.300 -0.087 0.000 1.124 391 M CB 0.822 33.413 32.600 -0.016 0.000 1.625 391 M HN 0.560 nan 8.290 nan 0.000 0.463 392 M N 0.720 120.288 119.600 -0.053 0.000 2.828 392 M HA 0.869 5.355 4.480 0.010 0.000 0.284 392 M C 0.176 176.465 176.300 -0.019 0.000 1.166 392 M CA -0.729 54.546 55.300 -0.041 0.000 0.770 392 M CB 2.370 34.945 32.600 -0.041 0.000 1.741 392 M HN 0.832 nan 8.290 nan 0.000 0.443 393 G N 0.195 108.986 108.800 -0.015 0.000 2.423 393 G HA2 -0.066 3.900 3.960 0.010 0.000 0.684 393 G HA3 -0.066 3.900 3.960 0.010 0.000 0.684 393 G C -0.344 174.550 174.900 -0.010 0.000 1.309 393 G CA -0.738 44.356 45.100 -0.009 0.000 0.950 393 G HN 0.549 nan 8.290 nan 0.000 0.587 394 K N -0.174 120.220 120.400 -0.010 0.000 2.032 394 K HA -0.108 4.219 4.320 0.010 0.000 0.209 394 K C 2.416 179.010 176.600 -0.011 0.000 1.048 394 K CA 2.026 58.306 56.287 -0.010 0.000 0.927 394 K CB -0.274 32.219 32.500 -0.012 0.000 0.712 394 K HN 0.620 nan 8.250 nan 0.000 0.441 395 Q N 0.199 119.992 119.800 -0.013 0.000 2.472 395 Q HA 0.038 4.385 4.340 0.010 0.000 0.208 395 Q C 1.889 177.881 176.000 -0.012 0.000 0.958 395 Q CA 0.519 56.314 55.803 -0.013 0.000 0.932 395 Q CB 0.208 28.937 28.738 -0.015 0.000 1.007 395 Q HN 0.339 nan 8.270 nan 0.000 0.508 396 L N 0.283 121.499 121.223 -0.012 0.000 2.616 396 L HA 0.124 4.470 4.340 0.010 0.000 0.229 396 L C 0.415 177.280 176.870 -0.009 0.000 1.110 396 L CA -0.026 54.807 54.840 -0.011 0.000 0.884 396 L CB 0.348 42.398 42.059 -0.016 0.000 1.115 396 L HN 0.073 nan 8.230 nan 0.000 0.481 397 E N 1.599 121.794 120.200 -0.009 0.000 2.415 397 E HA -0.040 4.316 4.350 0.010 0.000 0.263 397 E C -0.069 176.529 176.600 -0.003 0.000 0.995 397 E CA -0.080 56.317 56.400 -0.006 0.000 0.915 397 E CB 0.199 29.896 29.700 -0.006 0.000 0.951 397 E HN 0.157 nan 8.360 nan 0.000 0.449 398 N N 2.561 121.261 118.700 -0.000 0.000 2.740 398 N HA -0.211 4.535 4.740 0.010 0.000 0.248 398 N C -0.957 174.554 175.510 0.003 0.000 1.062 398 N CA 1.126 54.177 53.050 0.002 0.000 0.704 398 N CB -0.689 37.798 38.487 0.001 0.000 0.968 398 N HN 0.490 nan 8.380 nan 0.000 0.547 399 R N -0.834 119.669 120.500 0.004 0.000 2.707 399 R HA 0.594 4.940 4.340 0.010 0.000 0.272 399 R C -0.413 175.894 176.300 0.010 0.000 1.011 399 R CA -0.888 55.215 56.100 0.005 0.000 0.893 399 R CB 2.109 32.409 30.300 0.000 0.000 1.233 399 R HN 0.002 nan 8.270 nan 0.000 0.464 400 V N -0.553 119.370 119.914 0.014 0.000 2.513 400 V HA 0.567 4.694 4.120 0.010 0.000 0.299 400 V C 0.027 176.134 176.094 0.021 0.000 1.035 400 V CA -0.882 61.431 62.300 0.022 0.000 0.889 400 V CB 1.699 33.537 31.823 0.025 0.000 0.988 400 V HN 0.394 nan 8.190 nan 0.000 0.440 401 V N 5.771 125.701 119.914 0.027 0.000 2.530 401 V HA 0.246 4.372 4.120 0.010 0.000 0.282 401 V C 1.049 177.160 176.094 0.028 0.000 1.048 401 V CA -0.035 62.279 62.300 0.023 0.000 0.997 401 V CB 1.060 32.899 31.823 0.028 0.000 0.987 401 V HN 0.910 nan 8.190 nan 0.000 0.477 402 L N 3.307 124.541 121.223 0.019 0.000 2.316 402 L HA 0.223 4.569 4.340 0.010 0.000 0.207 402 L C 0.876 177.759 176.870 0.021 0.000 1.070 402 L CA 0.617 55.471 54.840 0.023 0.000 0.820 402 L CB 0.343 42.415 42.059 0.020 0.000 0.992 402 L HN 0.848 nan 8.230 nan 0.000 0.466 403 S N -1.720 113.982 115.700 0.004 0.000 2.615 403 S HA 0.619 5.095 4.470 0.010 0.000 0.269 403 S C -1.215 173.353 174.600 -0.055 0.000 1.161 403 S CA -0.746 57.447 58.200 -0.010 0.000 0.817 403 S CB 2.567 65.763 63.200 -0.007 0.000 1.131 403 S HN -0.172 nan 8.310 nan 0.000 0.467 404 V N 0.589 120.449 119.914 -0.090 0.000 2.808 404 V HA 0.880 5.006 4.120 0.010 0.000 0.308 404 V C -0.900 175.055 176.094 -0.231 0.000 1.099 404 V CA 0.154 62.329 62.300 -0.209 0.000 0.920 404 V CB 1.833 33.479 31.823 -0.294 0.000 1.014 404 V HN 1.313 nan 8.190 nan 0.000 0.425 405 S N 4.007 119.530 115.700 -0.294 0.000 2.569 405 S HA 0.872 5.348 4.470 0.010 0.000 0.280 405 S C -1.117 173.273 174.600 -0.352 0.000 1.111 405 S CA -0.060 57.985 58.200 -0.258 0.000 0.887 405 S CB 2.037 65.119 63.200 -0.196 0.000 1.095 405 S HN 1.306 nan 8.310 nan 0.000 0.476 406 S N 1.209 116.739 115.700 -0.284 0.000 2.541 406 S HA 0.782 5.259 4.470 0.010 0.000 0.271 406 S C 0.023 174.475 174.600 -0.247 0.000 1.133 406 S CA 0.015 58.041 58.200 -0.290 0.000 0.876 406 S CB 1.160 64.308 63.200 -0.086 0.000 1.105 406 S HN 1.080 nan 8.310 nan 0.000 0.470 407 G N 1.826 110.431 108.800 -0.325 0.000 3.247 407 G HA2 0.543 4.510 3.960 0.010 0.000 0.163 407 G HA3 0.543 4.510 3.960 0.010 0.000 0.163 407 G C 1.015 175.904 174.900 -0.018 0.000 1.206 407 G CA 0.154 45.160 45.100 -0.157 0.000 0.918 407 G HN 1.011 nan 8.290 nan 0.000 0.625 408 G N -0.924 107.924 108.800 0.080 0.000 2.404 408 G HA2 0.055 4.022 3.960 0.010 0.000 0.214 408 G HA3 0.055 4.022 3.960 0.010 0.000 0.214 408 G C 1.266 176.228 174.900 0.103 0.000 1.189 408 G CA 1.068 46.221 45.100 0.088 0.000 0.789 408 G HN 0.487 nan 8.290 nan 0.000 0.533 409 Q N -0.535 119.370 119.800 0.175 0.000 2.103 409 Q HA 0.148 4.495 4.340 0.010 0.000 0.219 409 Q C -0.300 175.833 176.000 0.222 0.000 0.784 409 Q CA -0.316 55.581 55.803 0.158 0.000 1.014 409 Q CB 1.067 29.880 28.738 0.125 0.000 1.183 409 Q HN 0.762 nan 8.270 nan 0.000 0.469 410 H N -1.915 117.176 119.070 0.034 0.000 2.949 410 H HA 0.670 5.232 4.556 0.010 0.000 0.356 410 H C -1.157 174.173 175.328 0.003 0.000 1.212 410 H CA -0.732 55.335 56.048 0.032 0.000 1.136 410 H CB 1.688 31.470 29.762 0.033 0.000 1.869 410 H HN -0.211 nan 8.280 nan 0.000 0.556 411 T N 1.204 115.668 114.554 -0.150 0.000 2.952 411 T HA 0.440 4.796 4.350 0.010 0.000 0.305 411 T C -0.854 173.737 174.700 -0.181 0.000 1.064 411 T CA -0.607 61.328 62.100 -0.275 0.000 1.008 411 T CB 1.749 70.487 68.868 -0.217 0.000 1.078 411 T HN 0.477 nan 8.240 nan 0.000 0.459 412 V N 4.041 123.813 119.914 -0.236 0.000 2.444 412 V HA 0.549 4.676 4.120 0.010 0.000 0.294 412 V C -0.477 175.534 176.094 -0.138 0.000 1.022 412 V CA -0.790 61.443 62.300 -0.112 0.000 0.850 412 V CB 1.336 33.111 31.823 -0.082 0.000 0.992 412 V HN 0.704 nan 8.190 nan 0.000 0.426 413 L N 4.751 125.923 121.223 -0.085 0.000 2.334 413 L HA 0.651 4.998 4.340 0.010 0.000 0.272 413 L C -0.743 176.104 176.870 -0.039 0.000 1.020 413 L CA -0.789 54.002 54.840 -0.082 0.000 0.812 413 L CB 1.938 43.955 42.059 -0.070 0.000 1.264 413 L HN 0.453 nan 8.230 nan 0.000 0.439 414 L N 3.356 124.560 121.223 -0.033 0.000 2.333 414 L HA 0.725 5.072 4.340 0.010 0.000 0.280 414 L C -0.517 176.349 176.870 -0.007 0.000 1.004 414 L CA -0.367 54.466 54.840 -0.012 0.000 0.820 414 L CB 1.721 43.777 42.059 -0.005 0.000 1.247 414 L HN 0.383 nan 8.230 nan 0.000 0.416 415 V N 1.729 121.641 119.914 -0.004 0.000 3.102 415 V HA 0.738 4.864 4.120 0.010 0.000 0.312 415 V C -1.015 175.081 176.094 0.002 0.000 1.135 415 V CA -0.891 61.409 62.300 -0.001 0.000 1.022 415 V CB 1.978 33.798 31.823 -0.004 0.000 1.056 415 V HN 0.837 nan 8.190 nan 0.000 0.436 416 K N 0.775 121.178 120.400 0.005 0.000 2.464 416 K HA 0.365 4.692 4.320 0.010 0.000 0.253 416 K C -1.241 175.362 176.600 0.004 0.000 0.933 416 K CA -0.622 55.668 56.287 0.005 0.000 0.801 416 K CB 2.195 34.702 32.500 0.010 0.000 1.271 416 K HN 0.949 nan 8.250 nan 0.000 0.430 417 D N 3.090 123.491 120.400 0.002 0.000 2.487 417 D HA -0.059 4.587 4.640 0.010 0.000 0.243 417 D C 0.180 176.483 176.300 0.005 0.000 1.154 417 D CA 0.590 54.591 54.000 0.002 0.000 0.876 417 D CB 0.886 41.686 40.800 -0.000 0.000 1.161 417 D HN 0.343 nan 8.370 nan 0.000 0.478 418 K N 3.542 123.946 120.400 0.006 0.000 2.989 418 K HA -0.077 4.249 4.320 0.010 0.000 0.264 418 K C -0.372 176.233 176.600 0.009 0.000 1.228 418 K CA -0.268 56.025 56.287 0.009 0.000 1.186 418 K CB -0.216 32.290 32.500 0.010 0.000 1.409 418 K HN 0.280 nan 8.250 nan 0.000 0.271 419 E N 1.580 121.785 120.200 0.008 0.000 1.178 419 E HA -0.243 4.113 4.350 0.010 0.000 0.367 419 E C -0.623 175.982 176.600 0.008 0.000 0.601 419 E CA 1.163 57.568 56.400 0.008 0.000 1.383 419 E CB 0.075 29.781 29.700 0.010 0.000 0.322 419 E HN 0.449 nan 8.360 nan 0.000 0.379 420 Q N 1.983 121.787 119.800 0.006 0.000 2.695 420 Q HA 0.212 4.558 4.340 0.010 0.000 0.246 420 Q C -0.185 175.818 176.000 0.005 0.000 0.961 420 Q CA -0.365 55.441 55.803 0.006 0.000 0.708 420 Q CB 1.519 30.260 28.738 0.005 0.000 1.282 420 Q HN 0.490 nan 8.270 nan 0.000 0.482 421 S N 0.000 115.703 115.700 0.006 0.000 2.498 421 S HA 0.000 4.476 4.470 0.010 0.000 0.327 421 S CA 0.000 58.203 58.200 0.005 0.000 1.107 421 S CB 0.000 63.203 63.200 0.005 0.000 0.593 421 S HN 0.000 nan 8.310 nan 0.000 0.517