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 1bf2_1_A DATA FIRST_RESID 1 DATA SEQUENCE AINSMSLGAS YDAQQANITF RVYSSQATRI VLYLYSAGYG VQESATYTLS DATA SEQUENCE PAGSGVWAVT VPVSSIKAAG ITGAVYYGYR AWGPNWPYAS NWGKGSQAGF DATA SEQUENCE VSDVDANGDR FNPNKLLLDP YAQEVSQDPL NPSNQNGNVF ASGASYRTTD DATA SEQUENCE SGIYAPKGVV LVPSTQSTGT KPTRAQKDDV IYEVHVRGFT EQDTSIPAQY DATA SEQUENCE RGTYYGAGLK ASYLASLGVT AVEFLPVQET QNDANDVVPN SDANQNYWGY DATA SEQUENCE MTENYFSPDR RYAYNKAAGG PTAEFQAMVQ AFHNAGIKVY MDVVYNHTAE DATA SEQUENCE GGTWTSSDPT TATIYSWRGL DNATYYELTS GNQYFYDNTG IGANFNTYNT DATA SEQUENCE VAQNLIVDSL AYWANTMGVD GFRFDLASVL GNScLNGAYT ASAPNcPNGG DATA SEQUENCE YNFDAADSNV AINRILREFT VRPAAGGSGL DLFAEPWAIG GNSYQLGGFP DATA SEQUENCE QGWSEWNGLF RDSLRQAQNE LGSMTIYVTQ DANDFSGSSN LFQSSGRSPW DATA SEQUENCE NSINFIDVHD GMTLKDVYSc NGANNSQAWP YGPSDGGTST NYSWDQGMSA DATA SEQUENCE GTGAAVDQRR AARTGMAFEM LSAGTPLMQG GDEYLRTLQc NNNAYNLDSS DATA SEQUENCE ANWLTYSWTT DQSNFYTFAQ RLIAFRKAHP ALRPSSWYSG SQLTWYQPSG DATA SEQUENCE AVADSNYWNN TSNYAIAYAI NGPSLGDSNS IYVAYNGWSS SVTFTLPAPP DATA SEQUENCE SGTQWYRVTD TcDWNDGAST FVAPGSETLI GGAGTTYGQc GQSLLLLISK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.551 177.584 -0.055 0.000 1.274 1 A CA 0.000 51.998 52.037 -0.066 0.000 0.836 1 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 2 I N 1.023 121.568 120.570 -0.043 0.000 2.336 2 I HA 0.343 4.513 4.170 -0.000 0.000 0.292 2 I C 0.278 176.439 176.117 0.074 0.000 0.991 2 I CA -0.284 61.023 61.300 0.012 0.000 1.227 2 I CB 1.139 39.135 38.000 -0.006 0.000 1.366 2 I HN 0.829 nan 8.210 nan 0.000 0.466 3 N N 2.984 121.765 118.700 0.136 0.000 2.754 3 N HA -0.204 4.536 4.740 -0.000 0.000 0.248 3 N C 1.209 176.762 175.510 0.072 0.000 1.093 3 N CA 0.774 53.913 53.050 0.148 0.000 0.699 3 N CB -0.473 38.106 38.487 0.153 0.000 1.016 3 N HN 0.817 nan 8.380 nan 0.000 0.552 4 S N -1.078 114.651 115.700 0.049 0.000 2.387 4 S HA -0.207 4.263 4.470 -0.000 0.000 0.230 4 S C 1.361 175.965 174.600 0.006 0.000 1.035 4 S CA 1.337 59.547 58.200 0.016 0.000 1.014 4 S CB -0.072 63.129 63.200 0.000 0.000 0.836 4 S HN 0.499 nan 8.310 nan 0.000 0.466 5 M N 0.784 120.384 119.600 -0.001 0.000 2.371 5 M HA 0.303 4.783 4.480 -0.000 0.000 0.246 5 M C 0.206 176.482 176.300 -0.040 0.000 1.103 5 M CA -0.133 55.155 55.300 -0.019 0.000 1.010 5 M CB 0.133 32.717 32.600 -0.026 0.000 1.457 5 M HN 0.119 nan 8.290 nan 0.000 0.486 6 S N 2.018 117.698 115.700 -0.033 0.000 3.559 6 S HA -0.116 4.354 4.470 -0.000 0.000 0.369 6 S C 0.110 174.644 174.600 -0.111 0.000 0.987 6 S CA 0.254 58.428 58.200 -0.043 0.000 1.187 6 S CB -1.598 61.587 63.200 -0.024 0.000 0.914 6 S HN 0.431 nan 8.310 nan 0.000 0.480 7 L N 0.651 121.718 121.223 -0.261 0.000 2.453 7 L HA 0.651 4.991 4.340 -0.000 0.000 0.261 7 L C 1.220 177.904 176.870 -0.309 0.000 1.179 7 L CA 0.484 55.067 54.840 -0.428 0.000 0.813 7 L CB 0.711 42.186 42.059 -0.973 0.000 1.110 7 L HN 0.573 nan 8.230 nan 0.000 0.466 8 G N 0.845 109.567 108.800 -0.130 0.000 2.373 8 G HA2 0.240 4.200 3.960 -0.000 0.000 0.634 8 G HA3 0.240 4.200 3.960 -0.000 0.000 0.634 8 G C -1.466 173.395 174.900 -0.065 0.000 1.267 8 G CA -0.364 44.739 45.100 0.004 0.000 1.008 8 G HN 0.915 nan 8.290 nan 0.000 0.497 9 A N -0.239 122.480 122.820 -0.169 0.000 2.318 9 A HA 1.013 5.332 4.320 -0.000 0.000 0.317 9 A C 0.263 177.546 177.584 -0.500 0.000 1.159 9 A CA 0.697 52.402 52.037 -0.553 0.000 0.799 9 A CB 1.160 19.643 19.000 -0.862 0.000 1.194 9 A HN 2.405 nan 8.150 nan 0.000 0.479 10 S N 1.379 116.743 115.700 -0.561 0.000 2.537 10 S HA 0.694 5.164 4.470 -0.000 0.000 0.270 10 S C -1.113 173.256 174.600 -0.385 0.000 1.142 10 S CA -0.668 57.307 58.200 -0.375 0.000 0.870 10 S CB 0.464 63.557 63.200 -0.178 0.000 1.112 10 S HN 0.479 nan 8.310 nan 0.000 0.466 11 Y N 1.954 122.134 120.300 -0.200 0.000 2.301 11 Y HA 0.357 4.907 4.550 -0.000 0.000 0.328 11 Y C 1.011 176.843 175.900 -0.113 0.000 1.242 11 Y CA 0.051 58.057 58.100 -0.156 0.000 1.323 11 Y CB 0.618 39.012 38.460 -0.110 0.000 1.266 11 Y HN 0.846 nan 8.280 nan 0.000 0.527 12 D N 0.272 120.727 120.400 0.092 0.000 2.411 12 D HA 0.246 4.886 4.640 -0.000 0.000 0.251 12 D C 1.027 177.351 176.300 0.040 0.000 1.201 12 D CA -0.026 53.995 54.000 0.035 0.000 0.996 12 D CB 0.481 41.288 40.800 0.011 0.000 1.101 12 D HN 0.587 nan 8.370 nan 0.000 0.504 13 A N 0.361 123.189 122.820 0.014 0.000 1.915 13 A HA -0.293 4.027 4.320 -0.000 0.000 0.220 13 A C 1.867 179.443 177.584 -0.014 0.000 1.198 13 A CA 2.438 54.476 52.037 0.002 0.000 0.647 13 A CB -0.969 18.031 19.000 -0.001 0.000 0.825 13 A HN 0.700 nan 8.150 nan 0.000 0.456 14 Q N -1.010 118.783 119.800 -0.011 0.000 2.365 14 Q HA 0.066 4.406 4.340 -0.000 0.000 0.203 14 Q C -0.189 175.787 176.000 -0.040 0.000 0.929 14 Q CA 0.786 56.574 55.803 -0.025 0.000 0.948 14 Q CB -0.352 28.377 28.738 -0.014 0.000 1.043 14 Q HN 0.763 nan 8.270 nan 0.000 0.505 15 Q N -0.684 119.096 119.800 -0.033 0.000 2.475 15 Q HA -0.240 4.100 4.340 -0.000 0.000 0.280 15 Q C 0.593 176.614 176.000 0.035 0.000 1.234 15 Q CA 0.534 56.306 55.803 -0.053 0.000 0.873 15 Q CB -1.699 26.859 28.738 -0.300 0.000 1.256 15 Q HN 0.612 nan 8.270 nan 0.000 0.475 16 A N -0.558 122.293 122.820 0.051 0.000 2.095 16 A HA 0.214 4.534 4.320 -0.000 0.000 0.212 16 A C 0.441 178.060 177.584 0.058 0.000 1.162 16 A CA 1.107 53.170 52.037 0.044 0.000 0.753 16 A CB 0.432 19.445 19.000 0.020 0.000 0.840 16 A HN 0.469 nan 8.150 nan 0.000 0.468 17 N N -2.033 116.710 118.700 0.071 0.000 2.494 17 N HA 0.639 5.379 4.740 -0.000 0.000 0.270 17 N C -1.411 174.074 175.510 -0.043 0.000 1.285 17 N CA -0.433 52.626 53.050 0.015 0.000 0.812 17 N CB 1.769 40.245 38.487 -0.017 0.000 1.557 17 N HN 0.082 nan 8.380 nan 0.000 0.487 18 I N 0.459 120.920 120.570 -0.182 0.000 2.509 18 I HA 0.438 4.608 4.170 -0.000 0.000 0.293 18 I C -0.639 175.205 176.117 -0.455 0.000 1.020 18 I CA -0.629 60.380 61.300 -0.485 0.000 1.088 18 I CB 2.190 39.740 38.000 -0.751 0.000 1.267 18 I HN 0.349 nan 8.210 nan 0.000 0.430 19 T N 5.605 119.846 114.554 -0.521 0.000 2.779 19 T HA 0.559 4.908 4.350 -0.000 0.000 0.280 19 T C -0.701 173.715 174.700 -0.473 0.000 0.987 19 T CA -0.301 61.610 62.100 -0.315 0.000 0.966 19 T CB 0.612 69.381 68.868 -0.164 0.000 0.933 19 T HN 0.126 nan 8.240 nan 0.000 0.442 20 F N 2.916 122.808 119.950 -0.096 0.000 2.402 20 F HA 0.541 5.068 4.527 -0.000 0.000 0.355 20 F C 0.919 176.757 175.800 0.063 0.000 1.123 20 F CA -0.973 57.012 58.000 -0.026 0.000 1.021 20 F CB 1.183 40.198 39.000 0.024 0.000 1.160 20 F HN 0.171 nan 8.300 nan 0.000 0.451 21 R N 2.299 122.911 120.500 0.187 0.000 2.534 21 R HA 0.831 5.170 4.340 -0.000 0.000 0.301 21 R C -1.608 174.773 176.300 0.135 0.000 0.961 21 R CA -1.061 55.120 56.100 0.135 0.000 0.871 21 R CB 2.881 33.202 30.300 0.036 0.000 1.170 21 R HN 0.499 nan 8.270 nan 0.000 0.446 22 V N 3.431 123.424 119.914 0.131 0.000 3.012 22 V HA 0.364 4.484 4.120 -0.000 0.000 0.307 22 V C -1.773 174.453 176.094 0.220 0.000 1.166 22 V CA -0.802 61.556 62.300 0.097 0.000 0.974 22 V CB 2.269 33.986 31.823 -0.176 0.000 1.040 22 V HN 0.742 nan 8.190 nan 0.000 0.428 23 Y N 4.260 124.644 120.300 0.141 0.000 2.334 23 Y HA 0.768 5.318 4.550 -0.000 0.000 0.328 23 Y C 0.078 176.116 175.900 0.230 0.000 1.130 23 Y CA 0.502 58.731 58.100 0.215 0.000 1.163 23 Y CB 1.797 40.369 38.460 0.187 0.000 1.207 23 Y HN 0.726 nan 8.280 nan 0.000 0.471 24 S N 2.776 118.198 115.700 -0.464 0.000 2.584 24 S HA 0.173 4.643 4.470 -0.000 0.000 0.282 24 S C -0.079 174.296 174.600 -0.375 0.000 1.138 24 S CA -0.118 57.893 58.200 -0.314 0.000 0.987 24 S CB 0.083 63.239 63.200 -0.073 0.000 1.137 24 S HN 0.899 nan 8.310 nan 0.000 0.457 25 S N 3.683 119.125 115.700 -0.431 0.000 2.528 25 S HA 0.113 4.582 4.470 -0.000 0.000 0.219 25 S C 1.015 175.643 174.600 0.048 0.000 0.985 25 S CA 0.120 58.216 58.200 -0.174 0.000 0.914 25 S CB 0.027 63.196 63.200 -0.052 0.000 0.776 25 S HN 0.639 nan 8.310 nan 0.000 0.526 26 Q N 0.597 120.484 119.800 0.145 0.000 2.280 26 Q HA 0.488 4.828 4.340 -0.000 0.000 0.244 26 Q C 0.725 176.754 176.000 0.049 0.000 0.847 26 Q CA 0.445 56.366 55.803 0.197 0.000 0.945 26 Q CB 0.349 29.303 28.738 0.360 0.000 1.115 26 Q HN 0.620 nan 8.270 nan 0.000 0.513 27 A N 0.904 123.720 122.820 -0.006 0.000 2.555 27 A HA 0.159 4.478 4.320 -0.000 0.000 0.233 27 A C 0.922 178.380 177.584 -0.209 0.000 1.060 27 A CA 0.681 52.436 52.037 -0.471 0.000 0.759 27 A CB 0.307 19.012 19.000 -0.492 0.000 0.995 27 A HN 0.181 nan 8.150 nan 0.000 0.506 28 T N 0.795 115.175 114.554 -0.290 0.000 3.023 28 T HA 0.229 4.579 4.350 -0.000 0.000 0.249 28 T C 0.812 175.502 174.700 -0.015 0.000 1.050 28 T CA 0.746 62.821 62.100 -0.042 0.000 1.088 28 T CB -0.005 68.832 68.868 -0.051 0.000 0.946 28 T HN 0.714 nan 8.240 nan 0.000 0.480 29 R N 0.288 120.662 120.500 -0.210 0.000 2.561 29 R HA 0.581 4.921 4.340 -0.000 0.000 0.266 29 R C -2.297 173.870 176.300 -0.222 0.000 1.091 29 R CA -0.506 55.464 56.100 -0.215 0.000 0.927 29 R CB 1.273 31.398 30.300 -0.291 0.000 1.240 29 R HN 0.115 nan 8.270 nan 0.000 0.449 30 I N 4.073 124.440 120.570 -0.338 0.000 2.533 30 I HA 0.438 4.608 4.170 -0.000 0.000 0.290 30 I C -0.938 175.226 176.117 0.079 0.000 1.056 30 I CA -1.059 60.112 61.300 -0.215 0.000 1.057 30 I CB 2.385 40.015 38.000 -0.617 0.000 1.240 30 I HN 0.226 nan 8.210 nan 0.000 0.423 31 V N 6.141 126.223 119.914 0.280 0.000 2.638 31 V HA 0.361 4.481 4.120 -0.000 0.000 0.306 31 V C -0.432 175.950 176.094 0.480 0.000 1.052 31 V CA -0.720 61.788 62.300 0.347 0.000 0.885 31 V CB 2.239 34.308 31.823 0.410 0.000 0.999 31 V HN 0.464 nan 8.190 nan 0.000 0.424 32 L N 5.318 126.750 121.223 0.349 0.000 2.367 32 L HA 0.496 4.836 4.340 -0.000 0.000 0.275 32 L C -1.226 175.717 176.870 0.122 0.000 1.129 32 L CA 0.476 55.437 54.840 0.201 0.000 0.839 32 L CB 0.334 42.372 42.059 -0.035 0.000 1.133 32 L HN 0.554 nan 8.230 nan 0.000 0.453 33 Y N 5.366 125.647 120.300 -0.031 0.000 2.341 33 Y HA 0.575 5.125 4.550 -0.000 0.000 0.338 33 Y C -0.483 175.364 175.900 -0.088 0.000 0.965 33 Y CA -0.635 57.423 58.100 -0.071 0.000 1.108 33 Y CB 1.616 40.092 38.460 0.026 0.000 1.180 33 Y HN 0.442 nan 8.280 nan 0.000 0.458 34 L N 4.737 125.864 121.223 -0.159 0.000 2.329 34 L HA 0.557 4.897 4.340 -0.000 0.000 0.279 34 L C -1.281 175.474 176.870 -0.191 0.000 1.014 34 L CA -0.932 53.895 54.840 -0.021 0.000 0.814 34 L CB 1.274 43.350 42.059 0.029 0.000 1.257 34 L HN 0.541 nan 8.230 nan 0.000 0.424 35 Y N -0.614 119.790 120.300 0.173 0.000 2.536 35 Y HA 0.217 4.767 4.550 -0.000 0.000 0.347 35 Y C 0.958 176.996 175.900 0.230 0.000 1.000 35 Y CA -0.850 57.342 58.100 0.153 0.000 1.051 35 Y CB 2.139 40.661 38.460 0.104 0.000 1.259 35 Y HN 0.588 nan 8.280 nan 0.000 0.468 36 S N -0.069 115.820 115.700 0.315 0.000 2.478 36 S HA 0.561 5.031 4.470 -0.000 0.000 0.222 36 S C 0.497 175.270 174.600 0.287 0.000 1.008 36 S CA 0.422 58.797 58.200 0.291 0.000 0.928 36 S CB 0.108 63.409 63.200 0.168 0.000 0.781 36 S HN 0.689 nan 8.310 nan 0.000 0.518 37 A N -0.007 122.861 122.820 0.081 0.000 2.498 37 A HA 0.772 5.092 4.320 -0.000 0.000 0.298 37 A C 0.932 178.186 177.584 -0.551 0.000 1.075 37 A CA -0.375 51.494 52.037 -0.279 0.000 0.714 37 A CB 0.889 19.826 19.000 -0.105 0.000 1.299 37 A HN 0.257 nan 8.150 nan 0.000 0.407 38 G N -0.808 107.450 108.800 -0.903 0.000 2.484 38 G HA2 0.233 4.193 3.960 -0.000 0.000 0.218 38 G HA3 0.233 4.193 3.960 -0.000 0.000 0.218 38 G C 0.161 174.892 174.900 -0.282 0.000 1.130 38 G CA 1.173 45.903 45.100 -0.617 0.000 0.784 38 G HN 0.771 nan 8.290 nan 0.000 0.543 39 Y N -1.459 118.660 120.300 -0.302 0.000 2.492 39 Y HA 0.464 5.014 4.550 -0.000 0.000 0.346 39 Y C 0.847 176.648 175.900 -0.165 0.000 0.997 39 Y CA -0.334 57.641 58.100 -0.208 0.000 1.025 39 Y CB 1.942 40.319 38.460 -0.139 0.000 1.263 39 Y HN 0.316 nan 8.280 nan 0.000 0.454 40 G N 2.241 110.516 108.800 -0.876 0.000 2.205 40 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.261 40 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.261 40 G C -0.504 174.234 174.900 -0.270 0.000 0.980 40 G CA 0.358 45.145 45.100 -0.521 0.000 0.632 40 G HN 1.456 nan 8.290 nan 0.000 0.533 41 V N -2.740 117.066 119.914 -0.181 0.000 2.815 41 V HA 0.874 4.994 4.120 -0.000 0.000 0.314 41 V C 0.209 176.357 176.094 0.089 0.000 1.064 41 V CA -1.373 60.908 62.300 -0.032 0.000 0.952 41 V CB 1.915 33.762 31.823 0.040 0.000 1.020 41 V HN 0.224 nan 8.190 nan 0.000 0.439 42 Q N 1.984 121.831 119.800 0.078 0.000 2.382 42 Q HA 0.263 4.603 4.340 -0.000 0.000 0.229 42 Q C 0.208 176.246 176.000 0.062 0.000 1.006 42 Q CA -0.268 55.607 55.803 0.120 0.000 0.916 42 Q CB 0.917 29.673 28.738 0.029 0.000 1.235 42 Q HN 1.010 nan 8.270 nan 0.000 0.512 43 E N 0.074 120.160 120.200 -0.191 0.000 2.398 43 E HA 0.042 4.391 4.350 -0.000 0.000 0.263 43 E C -0.324 176.106 176.600 -0.282 0.000 1.046 43 E CA 0.135 56.148 56.400 -0.645 0.000 0.908 43 E CB 0.733 30.017 29.700 -0.693 0.000 0.963 43 E HN 0.362 nan 8.360 nan 0.000 0.431 44 S N 0.783 116.338 115.700 -0.242 0.000 2.470 44 S HA 0.313 4.782 4.470 -0.000 0.000 0.222 44 S C 0.319 174.825 174.600 -0.156 0.000 1.024 44 S CA 0.452 58.577 58.200 -0.125 0.000 0.931 44 S CB 0.190 63.364 63.200 -0.043 0.000 0.791 44 S HN 0.800 nan 8.310 nan 0.000 0.513 45 A N 0.770 123.455 122.820 -0.225 0.000 2.610 45 A HA 0.678 4.998 4.320 -0.000 0.000 0.291 45 A C -0.766 176.562 177.584 -0.426 0.000 1.086 45 A CA -0.671 51.193 52.037 -0.290 0.000 0.677 45 A CB 1.059 19.959 19.000 -0.166 0.000 1.278 45 A HN 0.202 nan 8.150 nan 0.000 0.414 46 T N -1.614 112.585 114.554 -0.593 0.000 2.933 46 T HA 0.752 5.102 4.350 -0.000 0.000 0.305 46 T C -1.484 172.828 174.700 -0.646 0.000 1.092 46 T CA -0.464 61.279 62.100 -0.595 0.000 1.008 46 T CB 1.139 69.582 68.868 -0.708 0.000 1.102 46 T HN 0.709 nan 8.240 nan 0.000 0.469 47 Y N 0.097 120.292 120.300 -0.175 0.000 2.386 47 Y HA 0.500 5.050 4.550 -0.000 0.000 0.334 47 Y C 0.428 176.316 175.900 -0.020 0.000 1.002 47 Y CA -0.957 57.091 58.100 -0.086 0.000 1.068 47 Y CB 2.345 40.755 38.460 -0.082 0.000 1.203 47 Y HN 0.737 nan 8.280 nan 0.000 0.443 48 T N 4.892 119.517 114.554 0.119 0.000 2.814 48 T HA 0.345 4.695 4.350 -0.000 0.000 0.297 48 T C 0.025 174.826 174.700 0.168 0.000 0.956 48 T CA -0.315 61.847 62.100 0.103 0.000 1.123 48 T CB 0.152 69.034 68.868 0.024 0.000 0.902 48 T HN 0.240 nan 8.240 nan 0.000 0.528 49 L N 2.626 123.980 121.223 0.218 0.000 2.468 49 L HA 0.461 4.800 4.340 -0.000 0.000 0.254 49 L C 0.647 177.731 176.870 0.357 0.000 1.171 49 L CA 0.195 55.209 54.840 0.290 0.000 0.809 49 L CB 1.081 43.342 42.059 0.338 0.000 1.155 49 L HN 0.580 nan 8.230 nan 0.000 0.473 50 S N 0.525 116.383 115.700 0.263 0.000 2.521 50 S HA 0.510 4.979 4.470 -0.000 0.000 0.295 50 S C -2.608 171.880 174.600 -0.186 0.000 1.098 50 S CA -1.136 57.106 58.200 0.070 0.000 0.999 50 S CB 1.887 65.095 63.200 0.014 0.000 1.034 50 S HN 0.304 nan 8.310 nan 0.000 0.483 51 P HA 0.142 nan 4.420 nan 0.000 0.262 51 P C -0.464 176.582 177.300 -0.425 0.000 1.199 51 P CA 0.116 62.666 63.100 -0.918 0.000 0.763 51 P CB 0.410 31.579 31.700 -0.884 0.000 0.790 52 A N 3.882 126.504 122.820 -0.330 0.000 2.465 52 A HA 0.571 4.891 4.320 -0.000 0.000 0.255 52 A C 0.835 178.335 177.584 -0.140 0.000 1.274 52 A CA 0.306 52.244 52.037 -0.165 0.000 0.920 52 A CB -0.843 18.108 19.000 -0.082 0.000 1.033 52 A HN 0.707 nan 8.150 nan 0.000 0.516 53 G N -1.237 107.447 108.800 -0.193 0.000 2.705 53 G HA2 0.199 4.159 3.960 -0.000 0.000 0.686 53 G HA3 0.199 4.159 3.960 -0.000 0.000 0.686 53 G C 0.344 175.207 174.900 -0.062 0.000 1.285 53 G CA -0.194 44.831 45.100 -0.124 0.000 0.800 53 G HN 1.501 nan 8.290 nan 0.000 0.611 54 S N -1.248 114.437 115.700 -0.025 0.000 3.561 54 S HA 0.097 4.567 4.470 -0.000 0.000 0.318 54 S C 2.849 177.537 174.600 0.147 0.000 1.181 54 S CA 2.082 60.315 58.200 0.055 0.000 0.916 54 S CB -1.412 61.823 63.200 0.057 0.000 0.966 54 S HN 2.981 nan 8.310 nan 0.000 0.550 55 G N -1.083 107.730 108.800 0.023 0.000 2.179 55 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 55 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 55 G C 0.264 175.193 174.900 0.050 0.000 0.977 55 G CA 0.426 45.496 45.100 -0.051 0.000 0.641 55 G HN 2.070 nan 8.290 nan 0.000 0.533 56 V N -2.829 117.138 119.914 0.088 0.000 2.509 56 V HA 0.866 4.986 4.120 -0.000 0.000 0.284 56 V C -0.004 176.088 176.094 -0.003 0.000 1.047 56 V CA -1.580 60.820 62.300 0.166 0.000 0.952 56 V CB 1.070 32.969 31.823 0.127 0.000 0.988 56 V HN 0.298 nan 8.190 nan 0.000 0.469 57 W N 2.651 123.943 121.300 -0.012 0.000 2.666 57 W HA 0.870 5.529 4.660 -0.000 0.000 0.334 57 W C 0.067 176.591 176.519 0.009 0.000 1.051 57 W CA -0.046 57.288 57.345 -0.019 0.000 1.224 57 W CB 2.176 31.605 29.460 -0.052 0.000 1.405 57 W HN 1.016 nan 8.180 nan 0.000 0.513 58 A N 1.665 124.607 122.820 0.204 0.000 2.556 58 A HA 0.887 5.207 4.320 -0.000 0.000 0.294 58 A C -1.889 175.791 177.584 0.159 0.000 1.091 58 A CA -0.862 51.274 52.037 0.165 0.000 0.704 58 A CB 2.140 21.190 19.000 0.083 0.000 1.300 58 A HN 0.752 nan 8.150 nan 0.000 0.406 59 V N 0.206 120.221 119.914 0.168 0.000 3.000 59 V HA 0.707 4.827 4.120 -0.000 0.000 0.300 59 V C -1.178 174.992 176.094 0.127 0.000 1.251 59 V CA -0.109 62.271 62.300 0.133 0.000 0.972 59 V CB 2.487 34.391 31.823 0.136 0.000 1.065 59 V HN 1.108 nan 8.190 nan 0.000 0.431 60 T N 5.234 119.818 114.554 0.050 0.000 2.786 60 T HA 0.650 5.000 4.350 -0.000 0.000 0.283 60 T C -0.800 173.871 174.700 -0.047 0.000 0.992 60 T CA -0.327 61.780 62.100 0.012 0.000 0.954 60 T CB 1.436 70.296 68.868 -0.012 0.000 0.934 60 T HN 0.581 nan 8.240 nan 0.000 0.440 61 V N 6.318 126.195 119.914 -0.062 0.000 2.417 61 V HA 0.413 4.533 4.120 -0.000 0.000 0.291 61 V C -2.358 173.689 176.094 -0.078 0.000 1.024 61 V CA -2.441 59.754 62.300 -0.174 0.000 0.861 61 V CB 1.553 33.163 31.823 -0.356 0.000 0.985 61 V HN 0.659 nan 8.190 nan 0.000 0.436 62 P HA 0.190 nan 4.420 nan 0.000 0.276 62 P C 0.938 178.251 177.300 0.022 0.000 1.230 62 P CA -0.078 63.023 63.100 0.000 0.000 0.776 62 P CB 1.079 32.788 31.700 0.016 0.000 0.888 63 V N 2.375 122.319 119.914 0.050 0.000 2.407 63 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 63 V C 2.282 178.416 176.094 0.066 0.000 1.055 63 V CA 2.730 65.078 62.300 0.080 0.000 1.049 63 V CB -1.432 30.462 31.823 0.119 0.000 0.662 63 V HN 0.691 nan 8.190 nan 0.000 0.455 64 S N -0.179 115.552 115.700 0.052 0.000 2.383 64 S HA -0.218 4.252 4.470 -0.000 0.000 0.229 64 S C 2.013 176.647 174.600 0.056 0.000 1.030 64 S CA 1.772 60.000 58.200 0.047 0.000 1.002 64 S CB -0.591 62.631 63.200 0.037 0.000 0.829 64 S HN 0.533 nan 8.310 nan 0.000 0.467 65 S N 1.850 117.590 115.700 0.066 0.000 2.402 65 S HA 0.169 4.639 4.470 -0.000 0.000 0.229 65 S C 1.746 176.415 174.600 0.115 0.000 1.021 65 S CA 1.124 59.383 58.200 0.097 0.000 0.974 65 S CB -0.470 62.810 63.200 0.134 0.000 0.800 65 S HN 0.524 nan 8.310 nan 0.000 0.484 66 I N 1.331 121.962 120.570 0.101 0.000 2.202 66 I HA -0.164 4.006 4.170 -0.000 0.000 0.242 66 I C 2.302 178.470 176.117 0.086 0.000 1.091 66 I CA 1.158 62.521 61.300 0.105 0.000 1.368 66 I CB -0.208 37.850 38.000 0.097 0.000 1.058 66 I HN 0.171 nan 8.210 nan 0.000 0.410 67 K N 0.906 121.351 120.400 0.074 0.000 2.148 67 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 67 K C 2.214 178.845 176.600 0.051 0.000 1.050 67 K CA 1.315 57.638 56.287 0.061 0.000 0.942 67 K CB -0.219 32.312 32.500 0.052 0.000 0.724 67 K HN 0.291 nan 8.250 nan 0.000 0.446 68 A N 1.347 124.198 122.820 0.050 0.000 1.969 68 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 68 A C 2.234 179.838 177.584 0.033 0.000 1.169 68 A CA 1.632 53.692 52.037 0.039 0.000 0.635 68 A CB -0.467 18.557 19.000 0.040 0.000 0.810 68 A HN 0.311 nan 8.150 nan 0.000 0.445 69 A N -2.001 120.844 122.820 0.043 0.000 2.206 69 A HA 0.391 4.710 4.320 -0.000 0.000 0.211 69 A C 1.770 179.368 177.584 0.023 0.000 1.158 69 A CA 1.384 53.436 52.037 0.024 0.000 0.761 69 A CB -0.696 18.322 19.000 0.030 0.000 0.801 69 A HN 1.797 nan 8.150 nan 0.000 0.473 70 G N -1.438 107.385 108.800 0.037 0.000 2.184 70 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.206 70 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.206 70 G C 0.072 175.007 174.900 0.058 0.000 0.995 70 G CA -0.032 45.092 45.100 0.040 0.000 0.651 70 G HN 0.407 nan 8.290 nan 0.000 0.511 71 I N 3.002 123.615 120.570 0.072 0.000 2.282 71 I HA 0.312 4.481 4.170 -0.000 0.000 0.290 71 I C 1.630 177.800 176.117 0.089 0.000 1.090 71 I CA 0.417 61.775 61.300 0.096 0.000 1.231 71 I CB 1.187 39.257 38.000 0.117 0.000 1.434 71 I HN 0.231 nan 8.210 nan 0.000 0.487 72 T N 0.314 114.917 114.554 0.082 0.000 3.022 72 T HA 0.237 4.587 4.350 -0.000 0.000 0.250 72 T C 0.999 175.741 174.700 0.070 0.000 1.060 72 T CA 0.146 62.287 62.100 0.069 0.000 1.013 72 T CB 0.470 69.370 68.868 0.053 0.000 0.982 72 T HN 0.525 nan 8.240 nan 0.000 0.508 73 G N 1.477 110.329 108.800 0.087 0.000 3.022 73 G HA2 0.630 4.590 3.960 -0.000 0.000 0.157 73 G HA3 0.630 4.590 3.960 -0.000 0.000 0.157 73 G C 0.059 175.003 174.900 0.073 0.000 1.468 73 G CA -0.467 44.682 45.100 0.082 0.000 1.058 73 G HN 0.608 nan 8.290 nan 0.000 0.581 74 A N -1.081 121.765 122.820 0.043 0.000 2.445 74 A HA 0.478 4.798 4.320 -0.000 0.000 0.242 74 A C -0.097 177.406 177.584 -0.134 0.000 1.075 74 A CA -0.129 51.862 52.037 -0.077 0.000 0.777 74 A CB 0.430 19.297 19.000 -0.221 0.000 1.013 74 A HN 0.676 nan 8.150 nan 0.000 0.493 75 V N 3.571 123.421 119.914 -0.107 0.000 2.368 75 V HA 0.205 4.325 4.120 -0.000 0.000 0.266 75 V C -0.818 175.252 176.094 -0.041 0.000 1.045 75 V CA -0.012 62.287 62.300 -0.002 0.000 0.899 75 V CB -0.392 31.471 31.823 0.067 0.000 1.006 75 V HN 0.680 nan 8.190 nan 0.000 0.470 76 Y N 5.897 126.350 120.300 0.256 0.000 2.323 76 Y HA 0.634 5.184 4.550 -0.000 0.000 0.331 76 Y C 0.050 176.180 175.900 0.383 0.000 1.092 76 Y CA -0.475 57.784 58.100 0.265 0.000 1.150 76 Y CB 1.238 39.801 38.460 0.172 0.000 1.200 76 Y HN 0.718 nan 8.280 nan 0.000 0.472 77 Y N -0.259 120.186 120.300 0.242 0.000 2.615 77 Y HA 0.985 5.535 4.550 -0.000 0.000 0.341 77 Y C -0.581 175.330 175.900 0.018 0.000 1.089 77 Y CA -1.909 56.273 58.100 0.136 0.000 1.049 77 Y CB 1.533 39.991 38.460 -0.003 0.000 1.296 77 Y HN 0.723 nan 8.280 nan 0.000 0.470 78 G N 0.089 108.847 108.800 -0.070 0.000 2.608 78 G HA2 0.538 4.498 3.960 -0.000 0.000 0.291 78 G HA3 0.538 4.498 3.960 -0.000 0.000 0.291 78 G C -2.646 172.088 174.900 -0.277 0.000 1.425 78 G CA -1.020 43.936 45.100 -0.239 0.000 0.787 78 G HN 0.593 nan 8.290 nan 0.000 0.484 79 Y N -0.535 119.818 120.300 0.088 0.000 2.602 79 Y HA 0.790 5.340 4.550 -0.000 0.000 0.342 79 Y C 0.569 176.431 175.900 -0.063 0.000 1.029 79 Y CA -0.935 57.212 58.100 0.077 0.000 1.080 79 Y CB 2.350 40.844 38.460 0.057 0.000 1.284 79 Y HN 0.311 nan 8.280 nan 0.000 0.485 80 R N 1.168 121.728 120.500 0.101 0.000 2.502 80 R HA 0.839 5.178 4.340 -0.000 0.000 0.300 80 R C -1.391 174.706 176.300 -0.338 0.000 0.984 80 R CA -0.920 55.013 56.100 -0.278 0.000 0.882 80 R CB 1.987 32.027 30.300 -0.433 0.000 1.180 80 R HN 0.749 nan 8.270 nan 0.000 0.444 81 A N 3.238 125.780 122.820 -0.464 0.000 2.374 81 A HA 0.723 5.043 4.320 -0.000 0.000 0.317 81 A C -1.313 175.977 177.584 -0.490 0.000 1.094 81 A CA -0.630 51.231 52.037 -0.294 0.000 0.765 81 A CB 1.365 20.367 19.000 0.003 0.000 1.268 81 A HN 0.611 nan 8.150 nan 0.000 0.438 82 W N 0.726 121.787 121.300 -0.397 0.000 2.719 82 W HA 0.655 5.314 4.660 -0.000 0.000 0.352 82 W C 0.286 176.275 176.519 -0.883 0.000 1.085 82 W CA -0.218 56.870 57.345 -0.430 0.000 1.187 82 W CB 2.571 31.866 29.460 -0.275 0.000 1.417 82 W HN 1.130 nan 8.180 nan 0.000 0.557 83 G N 0.398 108.916 108.800 -0.469 0.000 2.606 83 G HA2 0.336 4.296 3.960 -0.000 0.000 0.300 83 G HA3 0.336 4.296 3.960 -0.000 0.000 0.300 83 G C -2.639 172.219 174.900 -0.070 0.000 1.360 83 G CA -0.773 43.898 45.100 -0.716 0.000 0.783 83 G HN 0.009 nan 8.290 nan 0.000 0.484 84 P HA -0.134 nan 4.420 nan 0.000 0.217 84 P C 1.438 178.803 177.300 0.107 0.000 1.151 84 P CA 1.923 65.071 63.100 0.081 0.000 0.849 84 P CB 0.020 31.777 31.700 0.095 0.000 0.787 85 N N -3.742 115.073 118.700 0.192 0.000 2.467 85 N HA -0.092 4.648 4.740 -0.000 0.000 0.184 85 N C 0.147 175.753 175.510 0.160 0.000 1.106 85 N CA 0.101 53.225 53.050 0.123 0.000 0.892 85 N CB -0.168 38.417 38.487 0.163 0.000 0.969 85 N HN 0.087 nan 8.380 nan 0.000 0.454 86 W N 1.258 122.600 121.300 0.069 0.000 1.896 86 W HA 0.412 5.072 4.660 -0.000 0.000 0.302 86 W C -3.268 173.360 176.519 0.181 0.000 1.016 86 W CA -2.185 55.233 57.345 0.122 0.000 1.200 86 W CB 0.563 30.136 29.460 0.188 0.000 1.226 86 W HN -0.076 nan 8.180 nan 0.000 0.308 87 P HA 0.005 nan 4.420 nan 0.000 0.273 87 P C -0.759 176.777 177.300 0.394 0.000 1.250 87 P CA 0.148 63.426 63.100 0.298 0.000 0.793 87 P CB 0.676 32.458 31.700 0.136 0.000 1.011 88 Y N 0.996 121.266 120.300 -0.049 0.000 2.402 88 Y HA 0.426 4.976 4.550 -0.000 0.000 0.333 88 Y C -0.358 175.483 175.900 -0.097 0.000 1.076 88 Y CA -0.753 57.102 58.100 -0.410 0.000 1.299 88 Y CB -0.279 37.669 38.460 -0.853 0.000 1.197 88 Y HN 0.358 nan 8.280 nan 0.000 0.517 89 A N 4.354 126.817 122.820 -0.596 0.000 2.287 89 A HA 0.410 4.730 4.320 -0.000 0.000 0.317 89 A C 0.915 178.029 177.584 -0.785 0.000 1.220 89 A CA -0.102 51.672 52.037 -0.438 0.000 0.835 89 A CB 0.383 19.376 19.000 -0.012 0.000 1.180 89 A HN 1.013 nan 8.150 nan 0.000 0.500 90 S N 2.087 117.396 115.700 -0.653 0.000 2.462 90 S HA -0.193 4.277 4.470 -0.000 0.000 0.243 90 S C 1.004 175.561 174.600 -0.072 0.000 1.003 90 S CA 1.532 59.521 58.200 -0.352 0.000 0.970 90 S CB -0.451 62.681 63.200 -0.114 0.000 0.762 90 S HN 0.867 nan 8.310 nan 0.000 0.510 91 N N -0.543 118.138 118.700 -0.031 0.000 2.230 91 N HA 0.025 4.765 4.740 -0.000 0.000 0.202 91 N C -0.003 175.589 175.510 0.136 0.000 1.119 91 N CA -0.529 52.553 53.050 0.054 0.000 0.851 91 N CB -0.487 38.022 38.487 0.035 0.000 0.990 91 N HN 0.678 nan 8.380 nan 0.000 0.497 92 W N 1.862 123.186 121.300 0.041 0.000 2.158 92 W HA 0.483 5.142 4.660 -0.000 0.000 0.339 92 W C 0.135 176.790 176.519 0.226 0.000 1.294 92 W CA 0.497 57.959 57.345 0.195 0.000 1.231 92 W CB 0.737 30.406 29.460 0.347 0.000 1.143 92 W HN 0.111 nan 8.180 nan 0.000 0.571 93 G N 3.514 111.711 108.800 -1.004 0.000 2.690 93 G HA2 0.315 4.275 3.960 -0.000 0.000 0.291 93 G HA3 0.315 4.275 3.960 -0.000 0.000 0.291 93 G C -1.544 172.416 174.900 -1.567 0.000 1.403 93 G CA -1.255 43.234 45.100 -1.018 0.000 0.864 93 G HN 0.422 nan 8.290 nan 0.000 0.480 94 K N 0.179 119.991 120.400 -0.980 0.000 2.466 94 K HA 0.324 4.644 4.320 -0.000 0.000 0.278 94 K C 1.216 177.650 176.600 -0.277 0.000 1.048 94 K CA 1.584 57.578 56.287 -0.488 0.000 1.088 94 K CB 0.469 32.884 32.500 -0.141 0.000 0.884 94 K HN 1.419 nan 8.250 nan 0.000 0.478 95 G N 1.627 110.367 108.800 -0.099 0.000 2.141 95 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.242 95 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.242 95 G C 0.063 174.969 174.900 0.011 0.000 0.982 95 G CA 0.306 45.405 45.100 -0.003 0.000 0.662 95 G HN 0.602 nan 8.290 nan 0.000 0.527 96 S N -1.154 114.525 115.700 -0.035 0.000 2.651 96 S HA 0.614 5.084 4.470 -0.000 0.000 0.291 96 S C 0.944 175.806 174.600 0.436 0.000 1.141 96 S CA 0.380 58.618 58.200 0.063 0.000 1.027 96 S CB 1.819 64.915 63.200 -0.173 0.000 1.043 96 S HN 0.368 nan 8.310 nan 0.000 0.530 97 Q N 1.776 121.783 119.800 0.344 0.000 2.319 97 Q HA 0.360 4.700 4.340 -0.000 0.000 0.202 97 Q C 0.382 176.618 176.000 0.392 0.000 0.896 97 Q CA -0.203 55.820 55.803 0.368 0.000 0.942 97 Q CB 0.143 28.909 28.738 0.047 0.000 1.083 97 Q HN 0.857 nan 8.270 nan 0.000 0.510 98 A N 0.067 123.175 122.820 0.479 0.000 2.553 98 A HA 0.330 4.650 4.320 -0.000 0.000 0.258 98 A C 1.157 179.053 177.584 0.520 0.000 1.069 98 A CA 0.999 53.284 52.037 0.415 0.000 0.767 98 A CB -0.665 18.558 19.000 0.371 0.000 0.997 98 A HN 0.628 nan 8.150 nan 0.000 0.512 99 G N 1.727 110.672 108.800 0.242 0.000 2.213 99 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.226 99 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.226 99 G C 0.206 175.038 174.900 -0.113 0.000 0.992 99 G CA 0.103 45.314 45.100 0.184 0.000 0.632 99 G HN 1.514 nan 8.290 nan 0.000 0.511 100 F N 1.543 121.065 119.950 -0.714 0.000 2.607 100 F HA 0.422 4.949 4.527 -0.000 0.000 0.374 100 F C 1.256 176.770 175.800 -0.475 0.000 1.104 100 F CA 1.177 58.477 58.000 -1.167 0.000 1.296 100 F CB 1.067 39.260 39.000 -1.345 0.000 1.085 100 F HN -0.038 nan 8.300 nan 0.000 0.584 101 V N 2.865 122.066 119.914 -1.188 0.000 3.029 101 V HA 0.216 4.336 4.120 -0.000 0.000 0.230 101 V C -0.001 175.397 176.094 -1.159 0.000 1.254 101 V CA 0.918 62.731 62.300 -0.813 0.000 1.276 101 V CB 0.358 31.959 31.823 -0.370 0.000 1.080 101 V HN 0.876 nan 8.190 nan 0.000 0.495 102 S N -1.587 113.397 115.700 -1.192 0.000 2.567 102 S HA 0.340 4.810 4.470 -0.000 0.000 0.270 102 S C -0.319 174.165 174.600 -0.193 0.000 1.152 102 S CA -0.516 57.264 58.200 -0.701 0.000 0.835 102 S CB 1.662 64.703 63.200 -0.264 0.000 1.115 102 S HN 0.154 nan 8.310 nan 0.000 0.459 103 D N 0.040 120.564 120.400 0.206 0.000 2.178 103 D HA 0.041 4.681 4.640 -0.000 0.000 0.202 103 D C 0.497 176.900 176.300 0.172 0.000 0.974 103 D CA 1.559 55.755 54.000 0.328 0.000 0.841 103 D CB 0.378 41.327 40.800 0.248 0.000 0.953 103 D HN 0.372 nan 8.370 nan 0.000 0.478 104 V N 1.589 121.545 119.914 0.070 0.000 2.777 104 V HA 0.188 4.308 4.120 -0.000 0.000 0.306 104 V C -1.658 174.434 176.094 -0.005 0.000 1.112 104 V CA -0.817 61.500 62.300 0.028 0.000 0.917 104 V CB 2.373 34.177 31.823 -0.031 0.000 1.018 104 V HN -0.030 nan 8.190 nan 0.000 0.426 105 D N 5.296 125.705 120.400 0.015 0.000 2.478 105 D HA 0.563 5.202 4.640 -0.000 0.000 0.263 105 D C 1.124 177.421 176.300 -0.004 0.000 1.153 105 D CA 0.049 54.050 54.000 0.003 0.000 1.038 105 D CB 1.702 42.520 40.800 0.029 0.000 1.120 105 D HN 0.649 nan 8.370 nan 0.000 0.564 106 A N -0.205 122.614 122.820 -0.002 0.000 2.024 106 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 106 A C 1.797 179.385 177.584 0.007 0.000 1.164 106 A CA 1.716 53.752 52.037 -0.001 0.000 0.643 106 A CB -1.019 17.983 19.000 0.004 0.000 0.806 106 A HN 0.754 nan 8.150 nan 0.000 0.451 107 N N -1.244 117.469 118.700 0.023 0.000 2.412 107 N HA 0.126 4.865 4.740 -0.000 0.000 0.184 107 N C 1.035 176.562 175.510 0.028 0.000 1.101 107 N CA 1.019 54.088 53.050 0.032 0.000 0.881 107 N CB 0.115 38.633 38.487 0.052 0.000 0.969 107 N HN 0.531 nan 8.380 nan 0.000 0.459 108 G N 0.914 109.722 108.800 0.014 0.000 2.176 108 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.232 108 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.232 108 G C -0.601 174.316 174.900 0.028 0.000 0.986 108 G CA -0.100 44.996 45.100 -0.005 0.000 0.643 108 G HN 0.419 nan 8.290 nan 0.000 0.522 109 D N 0.051 120.492 120.400 0.069 0.000 2.399 109 D HA 0.415 5.054 4.640 -0.000 0.000 0.241 109 D C 1.129 177.457 176.300 0.046 0.000 1.133 109 D CA 0.191 54.236 54.000 0.075 0.000 0.890 109 D CB 0.632 41.604 40.800 0.286 0.000 1.201 109 D HN 0.381 nan 8.370 nan 0.000 0.432 110 R N 1.344 121.788 120.500 -0.093 0.000 2.661 110 R HA 0.139 4.479 4.340 -0.000 0.000 0.429 110 R C -0.376 175.905 176.300 -0.032 0.000 1.044 110 R CA -0.602 55.500 56.100 0.004 0.000 1.065 110 R CB 0.176 30.503 30.300 0.044 0.000 1.377 110 R HN 0.251 nan 8.270 nan 0.000 0.600 111 F N 1.525 121.539 119.950 0.106 0.000 2.602 111 F HA 0.030 4.557 4.527 -0.000 0.000 0.367 111 F C 1.075 176.856 175.800 -0.032 0.000 1.126 111 F CA 0.457 58.461 58.000 0.006 0.000 1.321 111 F CB 0.304 39.303 39.000 -0.002 0.000 1.094 111 F HN 0.034 nan 8.300 nan 0.000 0.594 112 N N 4.558 123.173 118.700 -0.142 0.000 2.629 112 N HA 0.184 4.923 4.740 -0.000 0.000 0.277 112 N C -2.224 172.814 175.510 -0.787 0.000 1.188 112 N CA -1.732 50.979 53.050 -0.564 0.000 0.835 112 N CB 1.716 40.072 38.487 -0.219 0.000 1.420 112 N HN 0.081 nan 8.380 nan 0.000 0.542 113 P HA -0.061 nan 4.420 nan 0.000 0.225 113 P C 0.347 177.264 177.300 -0.639 0.000 1.148 113 P CA 0.798 63.058 63.100 -1.399 0.000 0.779 113 P CB 0.520 30.772 31.700 -2.414 0.000 0.780 114 N N -0.101 118.380 118.700 -0.364 0.000 2.494 114 N HA -0.014 4.726 4.740 -0.000 0.000 0.182 114 N C 0.375 175.848 175.510 -0.061 0.000 1.076 114 N CA 0.774 53.821 53.050 -0.005 0.000 0.908 114 N CB 0.034 38.559 38.487 0.064 0.000 0.967 114 N HN 0.219 nan 8.380 nan 0.000 0.449 115 K N 1.620 121.935 120.400 -0.142 0.000 2.263 115 K HA 0.205 4.525 4.320 -0.000 0.000 0.272 115 K C -0.076 176.482 176.600 -0.070 0.000 1.033 115 K CA -0.484 55.777 56.287 -0.042 0.000 0.884 115 K CB 1.696 34.202 32.500 0.011 0.000 1.107 115 K HN 0.001 nan 8.250 nan 0.000 0.460 116 L N 5.018 126.223 121.223 -0.030 0.000 2.410 116 L HA 0.202 4.541 4.340 -0.000 0.000 0.273 116 L C -0.559 176.317 176.870 0.009 0.000 1.152 116 L CA -0.117 54.686 54.840 -0.062 0.000 0.855 116 L CB 0.167 42.186 42.059 -0.067 0.000 1.129 116 L HN 0.516 nan 8.230 nan 0.000 0.463 117 L N 5.681 126.910 121.223 0.009 0.000 2.317 117 L HA 0.363 4.703 4.340 -0.000 0.000 0.281 117 L C -0.263 176.611 176.870 0.007 0.000 1.024 117 L CA -0.829 54.037 54.840 0.044 0.000 0.810 117 L CB 1.759 43.863 42.059 0.075 0.000 1.240 117 L HN 0.473 nan 8.230 nan 0.000 0.427 118 L N 2.566 123.766 121.223 -0.039 0.000 2.319 118 L HA 0.275 4.615 4.340 -0.000 0.000 0.280 118 L C 0.021 176.821 176.870 -0.116 0.000 1.099 118 L CA 0.076 54.833 54.840 -0.138 0.000 0.828 118 L CB 0.739 42.708 42.059 -0.150 0.000 1.150 118 L HN 0.479 nan 8.230 nan 0.000 0.442 119 D N 6.466 126.826 120.400 -0.066 0.000 2.450 119 D HA 0.084 4.724 4.640 -0.000 0.000 0.247 119 D C -1.840 174.468 176.300 0.012 0.000 1.162 119 D CA -1.585 52.499 54.000 0.140 0.000 0.879 119 D CB 1.476 42.478 40.800 0.336 0.000 1.163 119 D HN 0.416 nan 8.370 nan 0.000 0.472 120 P HA -0.097 nan 4.420 nan 0.000 0.225 120 P C 0.180 177.591 177.300 0.185 0.000 1.148 120 P CA 0.961 64.044 63.100 -0.028 0.000 0.779 120 P CB 0.023 31.767 31.700 0.074 0.000 0.780 121 Y N -1.112 119.204 120.300 0.027 0.000 2.468 121 Y HA 0.390 4.940 4.550 -0.000 0.000 0.268 121 Y C 1.188 176.872 175.900 -0.360 0.000 1.177 121 Y CA -0.934 56.963 58.100 -0.337 0.000 1.265 121 Y CB -0.851 37.434 38.460 -0.292 0.000 1.103 121 Y HN -0.186 nan 8.280 nan 0.000 0.522 122 A N 0.414 123.233 122.820 -0.002 0.000 2.520 122 A HA 0.045 4.365 4.320 -0.000 0.000 0.245 122 A C 0.967 178.519 177.584 -0.053 0.000 1.072 122 A CA -0.114 51.935 52.037 0.021 0.000 0.761 122 A CB 0.291 19.267 19.000 -0.039 0.000 1.004 122 A HN 0.575 nan 8.150 nan 0.000 0.499 123 Q N 0.499 120.260 119.800 -0.066 0.000 2.403 123 Q HA 0.116 4.456 4.340 -0.000 0.000 0.203 123 Q C -0.201 175.823 176.000 0.040 0.000 0.932 123 Q CA 0.683 56.437 55.803 -0.081 0.000 0.945 123 Q CB 0.415 29.060 28.738 -0.155 0.000 1.045 123 Q HN 0.838 nan 8.270 nan 0.000 0.511 124 E N -0.289 119.944 120.200 0.056 0.000 2.375 124 E HA 0.338 4.688 4.350 -0.000 0.000 0.280 124 E C -1.751 174.884 176.600 0.059 0.000 0.972 124 E CA -0.422 56.024 56.400 0.078 0.000 0.782 124 E CB 2.676 32.429 29.700 0.088 0.000 1.229 124 E HN -0.155 nan 8.360 nan 0.000 0.439 125 V N 2.306 122.253 119.914 0.055 0.000 2.555 125 V HA 0.119 4.239 4.120 -0.000 0.000 0.302 125 V C 1.182 177.308 176.094 0.053 0.000 1.038 125 V CA -0.058 62.253 62.300 0.018 0.000 0.887 125 V CB 1.625 33.428 31.823 -0.032 0.000 0.991 125 V HN 0.922 nan 8.190 nan 0.000 0.434 126 S N 3.009 118.751 115.700 0.071 0.000 2.355 126 S HA -0.045 4.425 4.470 -0.000 0.000 0.222 126 S C 0.609 175.209 174.600 0.000 0.000 1.031 126 S CA 0.931 59.180 58.200 0.082 0.000 0.993 126 S CB -0.051 63.156 63.200 0.013 0.000 0.859 126 S HN 0.931 nan 8.310 nan 0.000 0.453 127 Q N 0.321 120.095 119.800 -0.042 0.000 2.575 127 Q HA 0.421 4.761 4.340 -0.000 0.000 0.290 127 Q C -2.333 173.604 176.000 -0.104 0.000 0.963 127 Q CA -0.789 54.976 55.803 -0.063 0.000 0.783 127 Q CB 0.466 29.168 28.738 -0.060 0.000 1.467 127 Q HN 0.154 nan 8.270 nan 0.000 0.402 128 D N 1.632 121.961 120.400 -0.120 0.000 2.358 128 D HA 0.247 4.887 4.640 -0.000 0.000 0.244 128 D C -1.606 174.575 176.300 -0.198 0.000 1.163 128 D CA -1.533 52.358 54.000 -0.182 0.000 0.945 128 D CB 0.589 41.304 40.800 -0.141 0.000 1.152 128 D HN 0.261 nan 8.370 nan 0.000 0.451 129 P HA -0.118 nan 4.420 nan 0.000 0.216 129 P C -0.061 177.236 177.300 -0.005 0.000 1.157 129 P CA 1.051 63.907 63.100 -0.407 0.000 0.880 129 P CB 0.261 31.458 31.700 -0.839 0.000 0.791 130 L N 0.009 121.206 121.223 -0.042 0.000 2.282 130 L HA 0.356 4.696 4.340 -0.000 0.000 0.288 130 L C 0.440 177.291 176.870 -0.031 0.000 1.033 130 L CA -0.256 54.590 54.840 0.010 0.000 0.807 130 L CB 0.547 42.607 42.059 0.002 0.000 1.209 130 L HN 0.076 nan 8.230 nan 0.000 0.423 131 N N 1.988 120.663 118.700 -0.041 0.000 3.243 131 N HA 0.571 5.311 4.740 -0.000 0.000 0.280 131 N C -2.660 172.792 175.510 -0.098 0.000 1.545 131 N CA -1.388 51.610 53.050 -0.087 0.000 0.854 131 N CB 0.651 39.053 38.487 -0.142 0.000 1.612 131 N HN 0.049 nan 8.380 nan 0.000 0.577 132 P HA 0.059 nan 4.420 nan 0.000 0.226 132 P C 0.294 177.520 177.300 -0.123 0.000 1.153 132 P CA 1.044 64.084 63.100 -0.101 0.000 0.777 132 P CB 0.190 31.835 31.700 -0.092 0.000 0.794 133 S N -1.687 113.884 115.700 -0.215 0.000 2.470 133 S HA 0.062 4.532 4.470 -0.000 0.000 0.222 133 S C 0.782 175.352 174.600 -0.051 0.000 1.024 133 S CA 0.207 58.282 58.200 -0.209 0.000 0.931 133 S CB -0.357 62.517 63.200 -0.543 0.000 0.791 133 S HN 0.175 nan 8.310 nan 0.000 0.513 134 N N 1.288 119.968 118.700 -0.033 0.000 2.478 134 N HA 0.179 4.919 4.740 -0.000 0.000 0.291 134 N C -0.581 174.942 175.510 0.022 0.000 1.090 134 N CA -0.360 52.727 53.050 0.062 0.000 0.911 134 N CB 1.069 39.688 38.487 0.221 0.000 1.546 134 N HN -0.127 nan 8.380 nan 0.000 0.500 135 Q N 1.244 121.041 119.800 -0.004 0.000 2.135 135 Q HA 0.223 4.563 4.340 -0.000 0.000 0.222 135 Q C -0.578 175.412 176.000 -0.016 0.000 0.808 135 Q CA -0.378 55.422 55.803 -0.006 0.000 1.049 135 Q CB -0.118 28.608 28.738 -0.020 0.000 1.168 135 Q HN 0.442 nan 8.270 nan 0.000 0.483 136 N N 1.145 119.818 118.700 -0.044 0.000 2.500 136 N HA 0.212 4.952 4.740 -0.000 0.000 0.236 136 N C 0.759 176.228 175.510 -0.067 0.000 1.022 136 N CA 0.020 53.019 53.050 -0.086 0.000 0.935 136 N CB 1.102 39.495 38.487 -0.157 0.000 1.147 136 N HN 0.249 nan 8.380 nan 0.000 0.512 137 G N 2.719 111.529 108.800 0.018 0.000 2.744 137 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.211 137 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.211 137 G C 1.042 176.036 174.900 0.156 0.000 1.143 137 G CA 0.005 45.219 45.100 0.189 0.000 0.788 137 G HN 0.671 nan 8.290 nan 0.000 0.534 138 N N 0.206 118.849 118.700 -0.096 0.000 2.381 138 N HA -0.098 4.642 4.740 -0.000 0.000 0.182 138 N C 2.359 177.637 175.510 -0.387 0.000 1.025 138 N CA 0.957 53.795 53.050 -0.352 0.000 0.888 138 N CB 0.006 38.038 38.487 -0.759 0.000 0.965 138 N HN 0.327 nan 8.380 nan 0.000 0.438 139 V N -1.654 117.985 119.914 -0.458 0.000 2.867 139 V HA -0.095 4.025 4.120 -0.000 0.000 0.260 139 V C 0.924 176.706 176.094 -0.521 0.000 1.099 139 V CA 1.419 63.389 62.300 -0.550 0.000 1.122 139 V CB -0.824 30.485 31.823 -0.858 0.000 0.708 139 V HN 0.118 nan 8.190 nan 0.000 0.490 140 F N 1.312 121.281 119.950 0.030 0.000 2.695 140 F HA 0.732 5.259 4.527 -0.000 0.000 0.303 140 F C 1.373 177.223 175.800 0.084 0.000 1.091 140 F CA -0.222 57.839 58.000 0.103 0.000 1.300 140 F CB -0.452 38.669 39.000 0.202 0.000 1.071 140 F HN 0.224 nan 8.300 nan 0.000 0.578 141 A N 0.280 123.163 122.820 0.105 0.000 2.293 141 A HA 0.639 4.959 4.320 -0.000 0.000 0.302 141 A C 0.558 178.129 177.584 -0.022 0.000 1.119 141 A CA -0.188 51.804 52.037 -0.074 0.000 0.823 141 A CB 0.380 19.087 19.000 -0.489 0.000 1.097 141 A HN 0.221 nan 8.150 nan 0.000 0.491 142 S N 0.470 116.116 115.700 -0.089 0.000 2.623 142 S HA 0.870 5.340 4.470 -0.000 0.000 0.278 142 S C 0.554 175.132 174.600 -0.037 0.000 1.148 142 S CA -0.018 58.189 58.200 0.010 0.000 1.028 142 S CB 0.484 63.714 63.200 0.050 0.000 1.145 142 S HN 2.686 nan 8.310 nan 0.000 0.523 143 G N -1.177 107.621 108.800 -0.004 0.000 2.662 143 G HA2 0.357 4.317 3.960 -0.000 0.000 0.686 143 G HA3 0.357 4.317 3.960 -0.000 0.000 0.686 143 G C 0.547 175.387 174.900 -0.099 0.000 1.271 143 G CA -0.169 44.902 45.100 -0.049 0.000 0.816 143 G HN 1.564 nan 8.290 nan 0.000 0.608 144 A N 0.138 122.885 122.820 -0.122 0.000 1.978 144 A HA 0.111 4.431 4.320 -0.000 0.000 0.220 144 A C 2.699 180.141 177.584 -0.236 0.000 1.170 144 A CA 3.053 54.989 52.037 -0.168 0.000 0.636 144 A CB -0.523 18.405 19.000 -0.120 0.000 0.810 144 A HN 1.574 nan 8.150 nan 0.000 0.448 145 S N -2.014 113.467 115.700 -0.365 0.000 2.414 145 S HA 0.016 4.486 4.470 -0.000 0.000 0.227 145 S C 1.020 175.173 174.600 -0.745 0.000 1.022 145 S CA 1.181 58.993 58.200 -0.647 0.000 0.958 145 S CB -0.275 62.323 63.200 -1.004 0.000 0.797 145 S HN 0.759 nan 8.310 nan 0.000 0.493 146 Y N 0.410 120.674 120.300 -0.060 0.000 2.563 146 Y HA 0.301 4.851 4.550 -0.000 0.000 0.250 146 Y C 1.832 177.714 175.900 -0.029 0.000 1.126 146 Y CA -0.832 57.238 58.100 -0.050 0.000 1.231 146 Y CB -0.322 38.099 38.460 -0.065 0.000 1.288 146 Y HN 0.117 nan 8.280 nan 0.000 0.537 147 R N 0.569 121.116 120.500 0.077 0.000 2.159 147 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 147 R C 1.279 177.697 176.300 0.197 0.000 1.131 147 R CA 2.028 58.209 56.100 0.134 0.000 0.982 147 R CB -1.117 29.247 30.300 0.108 0.000 0.868 147 R HN 0.293 nan 8.270 nan 0.000 0.453 148 T N -2.770 111.869 114.554 0.142 0.000 3.100 148 T HA 0.061 4.411 4.350 -0.000 0.000 0.253 148 T C 0.589 175.362 174.700 0.122 0.000 1.118 148 T CA 0.119 62.324 62.100 0.175 0.000 1.058 148 T CB -0.049 68.890 68.868 0.117 0.000 0.953 148 T HN 0.089 nan 8.240 nan 0.000 0.515 149 T N 3.882 118.495 114.554 0.098 0.000 2.829 149 T HA 0.156 4.506 4.350 -0.000 0.000 0.293 149 T C -0.216 174.517 174.700 0.056 0.000 0.970 149 T CA -0.125 62.017 62.100 0.070 0.000 1.168 149 T CB 0.465 69.366 68.868 0.055 0.000 0.911 149 T HN 0.340 nan 8.240 nan 0.000 0.535 150 D N 2.160 122.595 120.400 0.059 0.000 2.325 150 D HA 0.137 4.777 4.640 -0.000 0.000 0.251 150 D C 1.151 177.488 176.300 0.062 0.000 1.196 150 D CA -0.436 53.595 54.000 0.051 0.000 0.866 150 D CB 0.675 41.495 40.800 0.035 0.000 1.101 150 D HN 0.416 nan 8.370 nan 0.000 0.476 151 S N 1.971 117.694 115.700 0.038 0.000 2.593 151 S HA 0.099 4.569 4.470 -0.000 0.000 0.217 151 S C 2.061 176.692 174.600 0.052 0.000 0.966 151 S CA 0.119 58.356 58.200 0.062 0.000 0.914 151 S CB -0.031 63.179 63.200 0.016 0.000 0.776 151 S HN 0.503 nan 8.310 nan 0.000 0.523 152 G N 3.950 112.741 108.800 -0.016 0.000 2.783 152 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.225 152 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.225 152 G C 1.331 176.104 174.900 -0.213 0.000 1.191 152 G CA 1.668 46.731 45.100 -0.061 0.000 0.774 152 G HN 0.915 nan 8.290 nan 0.000 0.632 153 I N -3.449 116.906 120.570 -0.358 0.000 3.111 153 I HA 0.186 4.356 4.170 -0.000 0.000 0.272 153 I C 2.051 177.663 176.117 -0.842 0.000 1.268 153 I CA 0.739 61.666 61.300 -0.621 0.000 1.467 153 I CB -0.135 37.420 38.000 -0.742 0.000 1.087 153 I HN 0.181 nan 8.210 nan 0.000 0.467 154 Y N 1.891 121.993 120.300 -0.330 0.000 2.507 154 Y HA 0.525 5.075 4.550 -0.000 0.000 0.263 154 Y C 1.836 177.815 175.900 0.132 0.000 1.093 154 Y CA -0.193 57.818 58.100 -0.149 0.000 1.285 154 Y CB -0.403 37.998 38.460 -0.097 0.000 1.115 154 Y HN 0.116 nan 8.280 nan 0.000 0.533 155 A N 2.838 125.801 122.820 0.238 0.000 2.407 155 A HA 0.305 4.625 4.320 -0.000 0.000 0.248 155 A C -2.312 175.254 177.584 -0.029 0.000 1.082 155 A CA -1.384 50.798 52.037 0.242 0.000 0.785 155 A CB -0.448 18.674 19.000 0.204 0.000 1.020 155 A HN -0.034 nan 8.150 nan 0.000 0.489 156 P HA 0.180 nan 4.420 nan 0.000 0.271 156 P C -0.911 176.279 177.300 -0.182 0.000 1.216 156 P CA 0.093 63.086 63.100 -0.178 0.000 0.776 156 P CB 0.615 32.144 31.700 -0.285 0.000 0.881 157 K N 1.633 121.938 120.400 -0.158 0.000 2.203 157 K HA 0.571 4.891 4.320 -0.000 0.000 0.251 157 K C 0.624 177.159 176.600 -0.108 0.000 0.944 157 K CA -0.663 55.531 56.287 -0.156 0.000 0.829 157 K CB 2.063 34.514 32.500 -0.082 0.000 1.125 157 K HN 0.537 nan 8.250 nan 0.000 0.430 158 G N 0.173 108.783 108.800 -0.316 0.000 2.504 158 G HA2 0.479 4.439 3.960 -0.000 0.000 0.288 158 G HA3 0.479 4.439 3.960 -0.000 0.000 0.288 158 G C -0.782 174.122 174.900 0.007 0.000 1.182 158 G CA -0.488 44.436 45.100 -0.294 0.000 0.894 158 G HN 0.219 nan 8.290 nan 0.000 0.521 159 V N 0.563 120.553 119.914 0.125 0.000 2.540 159 V HA 0.313 4.432 4.120 -0.000 0.000 0.302 159 V C 0.045 176.229 176.094 0.150 0.000 1.035 159 V CA -0.804 61.538 62.300 0.070 0.000 0.873 159 V CB 1.679 33.477 31.823 -0.041 0.000 0.992 159 V HN 0.542 nan 8.190 nan 0.000 0.428 160 V N 5.892 125.859 119.914 0.088 0.000 2.455 160 V HA 0.274 4.394 4.120 -0.000 0.000 0.273 160 V C -0.024 176.086 176.094 0.027 0.000 1.045 160 V CA -0.227 62.044 62.300 -0.049 0.000 0.976 160 V CB 0.916 32.545 31.823 -0.322 0.000 0.993 160 V HN 0.513 nan 8.190 nan 0.000 0.475 161 L N 5.670 126.925 121.223 0.053 0.000 2.322 161 L HA 0.509 4.849 4.340 -0.000 0.000 0.279 161 L C 0.086 177.075 176.870 0.198 0.000 1.036 161 L CA -0.055 54.853 54.840 0.114 0.000 0.807 161 L CB 1.875 43.982 42.059 0.079 0.000 1.226 161 L HN 0.400 nan 8.230 nan 0.000 0.433 162 V N 4.144 124.152 119.914 0.157 0.000 2.465 162 V HA 0.324 4.444 4.120 -0.000 0.000 0.279 162 V C -1.873 174.256 176.094 0.057 0.000 1.045 162 V CA -1.559 60.786 62.300 0.075 0.000 0.938 162 V CB 1.109 32.888 31.823 -0.074 0.000 0.986 162 V HN 0.712 nan 8.190 nan 0.000 0.467 163 P HA 0.016 nan 4.420 nan 0.000 0.260 163 P C -0.178 177.141 177.300 0.032 0.000 1.172 163 P CA 0.496 63.626 63.100 0.049 0.000 0.760 163 P CB 0.340 32.065 31.700 0.041 0.000 0.773 164 S N 1.687 117.410 115.700 0.038 0.000 2.565 164 S HA 0.224 4.694 4.470 -0.000 0.000 0.276 164 S C 1.017 175.630 174.600 0.020 0.000 1.326 164 S CA -0.178 58.040 58.200 0.029 0.000 1.045 164 S CB 0.025 63.245 63.200 0.033 0.000 0.918 164 S HN 0.560 nan 8.310 nan 0.000 0.505 165 T N 1.447 116.012 114.554 0.018 0.000 3.186 165 T HA 0.214 4.563 4.350 -0.000 0.000 0.257 165 T C 0.273 174.982 174.700 0.015 0.000 1.029 165 T CA -0.405 61.704 62.100 0.014 0.000 0.916 165 T CB -0.026 68.847 68.868 0.010 0.000 1.041 165 T HN 0.530 nan 8.240 nan 0.000 0.562 166 Q N 2.437 122.249 119.800 0.019 0.000 2.304 166 Q HA 0.407 4.746 4.340 -0.000 0.000 0.260 166 Q C 0.023 176.031 176.000 0.014 0.000 0.965 166 Q CA -0.080 55.734 55.803 0.018 0.000 0.898 166 Q CB 0.962 29.715 28.738 0.026 0.000 1.196 166 Q HN 0.315 nan 8.270 nan 0.000 0.402 167 S N 1.988 117.695 115.700 0.011 0.000 2.584 167 S HA 0.296 4.766 4.470 -0.000 0.000 0.273 167 S C 0.428 175.038 174.600 0.018 0.000 1.311 167 S CA 0.072 58.282 58.200 0.016 0.000 1.034 167 S CB 0.450 63.658 63.200 0.013 0.000 0.939 167 S HN 0.788 nan 8.310 nan 0.000 0.513 168 T N 1.157 115.737 114.554 0.043 0.000 3.134 168 T HA 0.535 4.885 4.350 -0.000 0.000 0.260 168 T C 1.035 175.831 174.700 0.160 0.000 1.027 168 T CA 0.286 62.422 62.100 0.060 0.000 0.913 168 T CB -0.715 68.198 68.868 0.075 0.000 1.046 168 T HN 1.431 nan 8.240 nan 0.000 0.553 169 G N 1.945 110.814 108.800 0.115 0.000 2.750 169 G HA2 -0.085 3.874 3.960 -0.000 0.000 0.228 169 G HA3 -0.085 3.874 3.960 -0.000 0.000 0.228 169 G C -0.119 174.849 174.900 0.113 0.000 1.367 169 G CA -0.320 44.857 45.100 0.129 0.000 0.871 169 G HN 1.317 nan 8.290 nan 0.000 0.560 170 T N -1.455 113.112 114.554 0.022 0.000 2.795 170 T HA 0.656 5.006 4.350 -0.000 0.000 0.282 170 T C 0.212 174.719 174.700 -0.322 0.000 0.980 170 T CA -0.367 61.681 62.100 -0.088 0.000 1.012 170 T CB 1.502 70.332 68.868 -0.064 0.000 0.936 170 T HN 0.683 nan 8.240 nan 0.000 0.457 171 K N 4.026 124.204 120.400 -0.370 0.000 2.368 171 K HA 0.274 4.594 4.320 -0.000 0.000 0.282 171 K C -2.329 174.080 176.600 -0.318 0.000 1.035 171 K CA -1.341 54.621 56.287 -0.541 0.000 0.973 171 K CB 0.199 32.542 32.500 -0.263 0.000 0.957 171 K HN 0.477 nan 8.250 nan 0.000 0.474 172 P HA -0.011 nan 4.420 nan 0.000 0.269 172 P C 0.195 177.425 177.300 -0.117 0.000 1.209 172 P CA -0.047 62.956 63.100 -0.161 0.000 0.776 172 P CB 0.643 32.267 31.700 -0.126 0.000 0.876 173 T N -1.299 113.200 114.554 -0.093 0.000 3.129 173 T HA 0.155 4.505 4.350 -0.000 0.000 0.267 173 T C 0.617 175.267 174.700 -0.083 0.000 1.018 173 T CA -0.477 61.576 62.100 -0.079 0.000 0.903 173 T CB -0.111 68.715 68.868 -0.070 0.000 1.067 173 T HN 0.236 nan 8.240 nan 0.000 0.549 174 R N 1.806 122.255 120.500 -0.085 0.000 2.585 174 R HA 0.466 4.806 4.340 -0.000 0.000 0.275 174 R C 0.307 176.538 176.300 -0.116 0.000 1.018 174 R CA -0.047 55.996 56.100 -0.095 0.000 1.072 174 R CB 0.078 30.328 30.300 -0.083 0.000 0.953 174 R HN 0.385 nan 8.270 nan 0.000 0.419 175 A N 3.334 126.054 122.820 -0.167 0.000 2.498 175 A HA -0.043 4.277 4.320 -0.000 0.000 0.239 175 A C 1.075 178.503 177.584 -0.259 0.000 1.068 175 A CA -0.041 51.835 52.037 -0.268 0.000 0.766 175 A CB 0.590 19.377 19.000 -0.355 0.000 1.003 175 A HN 1.044 nan 8.150 nan 0.000 0.497 176 Q N 1.727 121.343 119.800 -0.308 0.000 2.135 176 Q HA -0.252 4.088 4.340 -0.000 0.000 0.204 176 Q C 1.845 177.752 176.000 -0.155 0.000 0.981 176 Q CA 2.219 57.940 55.803 -0.136 0.000 0.856 176 Q CB -0.205 28.512 28.738 -0.034 0.000 0.902 176 Q HN 0.892 nan 8.270 nan 0.000 0.425 177 K N -0.543 119.597 120.400 -0.434 0.000 2.360 177 K HA -0.161 4.158 4.320 -0.000 0.000 0.201 177 K C 0.294 176.817 176.600 -0.130 0.000 1.046 177 K CA 1.663 57.783 56.287 -0.279 0.000 0.940 177 K CB 0.094 32.272 32.500 -0.536 0.000 0.748 177 K HN 0.188 nan 8.250 nan 0.000 0.465 178 D N 1.100 121.417 120.400 -0.138 0.000 2.368 178 D HA 0.098 4.737 4.640 -0.000 0.000 0.218 178 D C -0.444 175.827 176.300 -0.049 0.000 1.112 178 D CA 0.093 54.041 54.000 -0.086 0.000 0.834 178 D CB 0.239 40.975 40.800 -0.106 0.000 0.953 178 D HN 0.244 nan 8.370 nan 0.000 0.505 179 D N 0.323 120.713 120.400 -0.017 0.000 2.277 179 D HA 0.312 4.952 4.640 -0.000 0.000 0.250 179 D C -0.150 176.162 176.300 0.020 0.000 1.032 179 D CA -0.432 53.574 54.000 0.011 0.000 0.947 179 D CB 3.001 43.847 40.800 0.077 0.000 1.159 179 D HN -0.258 nan 8.370 nan 0.000 0.460 180 V N 2.788 122.705 119.914 0.005 0.000 2.447 180 V HA 0.311 4.431 4.120 -0.000 0.000 0.292 180 V C 0.144 176.241 176.094 0.006 0.000 1.021 180 V CA -0.662 61.643 62.300 0.007 0.000 0.850 180 V CB 1.273 33.093 31.823 -0.004 0.000 1.005 180 V HN 0.350 nan 8.190 nan 0.000 0.426 181 I N 4.428 125.003 120.570 0.008 0.000 2.472 181 I HA 0.394 4.564 4.170 -0.000 0.000 0.290 181 I C -0.749 175.385 176.117 0.028 0.000 1.016 181 I CA -0.549 60.749 61.300 -0.002 0.000 1.348 181 I CB 0.879 38.863 38.000 -0.026 0.000 1.417 181 I HN 0.613 nan 8.210 nan 0.000 0.521 182 Y N 5.321 125.525 120.300 -0.160 0.000 2.332 182 Y HA 0.300 4.850 4.550 -0.000 0.000 0.326 182 Y C -0.245 175.523 175.900 -0.220 0.000 0.978 182 Y CA -0.694 57.313 58.100 -0.155 0.000 1.205 182 Y CB 1.049 39.425 38.460 -0.140 0.000 1.131 182 Y HN 0.567 nan 8.280 nan 0.000 0.462 183 E N 5.400 125.429 120.200 -0.285 0.000 2.229 183 E HA 0.562 4.912 4.350 -0.000 0.000 0.283 183 E C -1.774 174.649 176.600 -0.296 0.000 1.030 183 E CA -0.386 55.873 56.400 -0.236 0.000 0.836 183 E CB 1.345 30.955 29.700 -0.150 0.000 1.068 183 E HN 0.557 nan 8.360 nan 0.000 0.401 184 V N 4.512 124.309 119.914 -0.195 0.000 3.120 184 V HA 0.152 4.272 4.120 -0.000 0.000 0.303 184 V C -1.311 174.842 176.094 0.099 0.000 1.238 184 V CA -0.800 61.453 62.300 -0.078 0.000 1.008 184 V CB 2.127 33.851 31.823 -0.164 0.000 1.064 184 V HN 0.824 nan 8.190 nan 0.000 0.434 185 H N 3.750 122.881 119.070 0.101 0.000 2.620 185 H HA 0.263 4.819 4.556 -0.000 0.000 0.313 185 H C 0.813 176.211 175.328 0.118 0.000 1.075 185 H CA 1.135 57.216 56.048 0.055 0.000 1.397 185 H CB 2.028 31.794 29.762 0.007 0.000 1.446 185 H HN 0.570 nan 8.280 nan 0.000 0.493 186 V N 6.113 125.920 119.914 -0.178 0.000 2.453 186 V HA -0.240 3.880 4.120 -0.000 0.000 0.252 186 V C 2.615 178.683 176.094 -0.043 0.000 1.068 186 V CA 2.555 64.758 62.300 -0.161 0.000 1.070 186 V CB -0.464 30.990 31.823 -0.616 0.000 0.664 186 V HN 0.784 nan 8.190 nan 0.000 0.461 187 R N -0.416 120.062 120.500 -0.037 0.000 2.062 187 R HA 0.004 4.344 4.340 -0.000 0.000 0.226 187 R C 2.259 178.691 176.300 0.221 0.000 1.125 187 R CA 1.486 57.627 56.100 0.069 0.000 0.966 187 R CB -0.798 29.583 30.300 0.134 0.000 0.861 187 R HN 0.522 nan 8.270 nan 0.000 0.433 188 G N 0.148 109.256 108.800 0.514 0.000 2.509 188 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 188 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 188 G C 1.134 176.358 174.900 0.540 0.000 1.124 188 G CA 0.051 45.501 45.100 0.583 0.000 0.776 188 G HN 0.321 nan 8.290 nan 0.000 0.547 189 F N 2.844 122.995 119.950 0.335 0.000 2.126 189 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 189 F C 2.516 178.495 175.800 0.298 0.000 1.096 189 F CA 2.005 60.218 58.000 0.356 0.000 1.255 189 F CB -0.401 38.815 39.000 0.360 0.000 0.997 189 F HN 0.240 nan 8.300 nan 0.000 0.479 190 T N -4.262 110.393 114.554 0.168 0.000 3.087 190 T HA 0.154 4.504 4.350 -0.000 0.000 0.283 190 T C 1.307 175.969 174.700 -0.063 0.000 0.956 190 T CA 0.388 62.466 62.100 -0.038 0.000 0.894 190 T CB 0.040 68.805 68.868 -0.171 0.000 1.160 190 T HN 0.074 nan 8.240 nan 0.000 0.532 191 E N 3.396 123.508 120.200 -0.147 0.000 2.147 191 E HA -0.222 4.128 4.350 -0.000 0.000 0.199 191 E C 1.757 178.167 176.600 -0.318 0.000 1.005 191 E CA 1.938 58.086 56.400 -0.420 0.000 0.810 191 E CB -0.158 28.886 29.700 -1.092 0.000 0.736 191 E HN 0.898 nan 8.360 nan 0.000 0.460 192 Q N -0.346 119.378 119.800 -0.127 0.000 2.141 192 Q HA 0.171 4.511 4.340 -0.000 0.000 0.248 192 Q C -0.781 175.269 176.000 0.084 0.000 0.834 192 Q CA -0.216 55.604 55.803 0.028 0.000 1.096 192 Q CB 0.277 29.134 28.738 0.198 0.000 1.189 192 Q HN -0.037 nan 8.270 nan 0.000 0.471 193 D N 2.096 122.525 120.400 0.048 0.000 2.393 193 D HA 0.028 4.667 4.640 -0.000 0.000 0.232 193 D C 0.933 177.188 176.300 -0.075 0.000 1.192 193 D CA 0.008 54.015 54.000 0.010 0.000 0.882 193 D CB 1.493 42.195 40.800 -0.163 0.000 1.038 193 D HN 0.303 nan 8.370 nan 0.000 0.499 194 T N -0.297 114.225 114.554 -0.055 0.000 3.155 194 T HA -0.132 4.218 4.350 -0.000 0.000 0.264 194 T C 1.544 176.184 174.700 -0.100 0.000 1.160 194 T CA 0.772 62.831 62.100 -0.067 0.000 1.075 194 T CB -0.244 68.595 68.868 -0.048 0.000 0.921 194 T HN 0.277 nan 8.240 nan 0.000 0.533 195 S N 0.395 116.003 115.700 -0.154 0.000 2.593 195 S HA 0.298 4.768 4.470 -0.000 0.000 0.217 195 S C 0.511 175.024 174.600 -0.145 0.000 0.966 195 S CA -0.628 57.473 58.200 -0.165 0.000 0.914 195 S CB -0.304 62.755 63.200 -0.235 0.000 0.776 195 S HN 0.393 nan 8.310 nan 0.000 0.523 196 I N 2.025 122.518 120.570 -0.128 0.000 2.530 196 I HA 0.520 4.690 4.170 -0.000 0.000 0.297 196 I C -2.835 173.266 176.117 -0.027 0.000 1.011 196 I CA -2.874 58.382 61.300 -0.075 0.000 1.107 196 I CB 1.157 39.104 38.000 -0.089 0.000 1.285 196 I HN -0.136 nan 8.210 nan 0.000 0.436 197 P HA 0.077 nan 4.420 nan 0.000 0.265 197 P C 0.636 177.884 177.300 -0.087 0.000 1.193 197 P CA 0.111 63.201 63.100 -0.016 0.000 0.765 197 P CB 0.776 32.501 31.700 0.042 0.000 0.823 198 A N 4.424 127.176 122.820 -0.114 0.000 1.971 198 A HA -0.278 4.041 4.320 -0.000 0.000 0.222 198 A C 1.927 179.416 177.584 -0.158 0.000 1.182 198 A CA 1.930 53.900 52.037 -0.113 0.000 0.649 198 A CB -1.100 17.846 19.000 -0.091 0.000 0.818 198 A HN 0.690 nan 8.150 nan 0.000 0.458 199 Q N -1.737 117.879 119.800 -0.306 0.000 2.369 199 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 199 Q C 1.125 176.903 176.000 -0.370 0.000 0.963 199 Q CA 1.531 57.123 55.803 -0.351 0.000 0.894 199 Q CB -0.489 27.985 28.738 -0.439 0.000 0.965 199 Q HN 0.726 nan 8.270 nan 0.000 0.475 200 Y N 1.079 121.260 120.300 -0.197 0.000 2.478 200 Y HA 0.315 4.864 4.550 -0.000 0.000 0.261 200 Y C 0.631 176.491 175.900 -0.066 0.000 1.127 200 Y CA -0.636 57.357 58.100 -0.178 0.000 1.288 200 Y CB 0.236 38.588 38.460 -0.181 0.000 1.084 200 Y HN -0.025 nan 8.280 nan 0.000 0.530 201 R N 0.590 121.113 120.500 0.038 0.000 2.538 201 R HA 0.218 4.558 4.340 -0.000 0.000 0.282 201 R C 1.232 177.506 176.300 -0.043 0.000 1.009 201 R CA 1.001 57.086 56.100 -0.026 0.000 1.063 201 R CB -0.247 30.008 30.300 -0.075 0.000 0.945 201 R HN 0.502 nan 8.270 nan 0.000 0.414 202 G N 1.821 110.583 108.800 -0.063 0.000 2.176 202 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.252 202 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.252 202 G C 0.155 175.029 174.900 -0.043 0.000 1.024 202 G CA 0.611 45.663 45.100 -0.079 0.000 0.755 202 G HN 0.768 nan 8.290 nan 0.000 0.507 203 T N -4.477 110.076 114.554 -0.002 0.000 2.888 203 T HA 0.652 5.002 4.350 -0.000 0.000 0.288 203 T C 0.980 175.668 174.700 -0.021 0.000 1.063 203 T CA -0.241 61.841 62.100 -0.029 0.000 1.010 203 T CB 1.350 70.318 68.868 0.167 0.000 1.214 203 T HN 0.087 nan 8.240 nan 0.000 0.533 204 Y N -0.805 119.591 120.300 0.159 0.000 2.181 204 Y HA -0.007 4.543 4.550 -0.000 0.000 0.288 204 Y C 2.431 178.353 175.900 0.037 0.000 1.146 204 Y CA 1.243 59.382 58.100 0.064 0.000 1.164 204 Y CB -0.996 37.531 38.460 0.111 0.000 0.982 204 Y HN 0.798 nan 8.280 nan 0.000 0.515 205 Y N 0.405 120.798 120.300 0.154 0.000 2.128 205 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 205 Y C 2.607 178.416 175.900 -0.152 0.000 1.154 205 Y CA 1.676 59.751 58.100 -0.041 0.000 1.149 205 Y CB -0.798 37.618 38.460 -0.073 0.000 0.976 205 Y HN 0.089 nan 8.280 nan 0.000 0.505 206 G N -0.525 108.366 108.800 0.152 0.000 2.440 206 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.218 206 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.218 206 G C 1.819 176.665 174.900 -0.090 0.000 1.154 206 G CA 1.068 46.183 45.100 0.025 0.000 0.767 206 G HN 0.605 nan 8.290 nan 0.000 0.552 207 A N 0.842 123.678 122.820 0.026 0.000 1.933 207 A HA 0.160 4.480 4.320 -0.000 0.000 0.218 207 A C 2.711 180.285 177.584 -0.015 0.000 1.175 207 A CA 2.034 54.196 52.037 0.208 0.000 0.628 207 A CB -1.019 18.310 19.000 0.549 0.000 0.814 207 A HN 0.549 nan 8.150 nan 0.000 0.444 208 G N -0.453 108.179 108.800 -0.280 0.000 2.432 208 G HA2 -0.108 3.851 3.960 -0.000 0.000 0.219 208 G HA3 -0.108 3.851 3.960 -0.000 0.000 0.219 208 G C 1.249 175.809 174.900 -0.566 0.000 1.135 208 G CA 1.067 45.770 45.100 -0.662 0.000 0.767 208 G HN 0.359 nan 8.290 nan 0.000 0.550 209 L N 0.211 121.179 121.223 -0.424 0.000 2.275 209 L HA 0.105 4.445 4.340 -0.000 0.000 0.215 209 L C 2.408 179.119 176.870 -0.266 0.000 1.119 209 L CA 1.232 55.871 54.840 -0.334 0.000 0.790 209 L CB -0.229 41.665 42.059 -0.275 0.000 0.919 209 L HN 0.186 nan 8.230 nan 0.000 0.443 210 K N -0.959 119.285 120.400 -0.259 0.000 2.417 210 K HA 0.203 4.522 4.320 -0.000 0.000 0.196 210 K C 1.929 178.570 176.600 0.067 0.000 1.023 210 K CA 0.503 56.685 56.287 -0.175 0.000 1.122 210 K CB 0.234 32.434 32.500 -0.499 0.000 0.850 210 K HN 0.189 nan 8.250 nan 0.000 0.521 211 A N 1.827 124.607 122.820 -0.067 0.000 1.948 211 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 211 A C 2.259 179.892 177.584 0.082 0.000 1.177 211 A CA 2.447 54.498 52.037 0.023 0.000 0.636 211 A CB -0.578 18.268 19.000 -0.258 0.000 0.815 211 A HN 0.411 nan 8.150 nan 0.000 0.449 212 S N -1.695 114.016 115.700 0.017 0.000 2.383 212 S HA -0.227 4.243 4.470 -0.000 0.000 0.227 212 S C 1.904 176.552 174.600 0.079 0.000 1.026 212 S CA 1.338 59.553 58.200 0.025 0.000 0.981 212 S CB -0.866 62.326 63.200 -0.013 0.000 0.818 212 S HN 0.667 nan 8.310 nan 0.000 0.472 213 Y N 2.122 122.427 120.300 0.008 0.000 2.128 213 Y HA -0.085 4.465 4.550 -0.000 0.000 0.284 213 Y C 2.037 178.010 175.900 0.122 0.000 1.154 213 Y CA 1.343 59.482 58.100 0.066 0.000 1.149 213 Y CB -0.545 37.939 38.460 0.040 0.000 0.976 213 Y HN 0.182 nan 8.280 nan 0.000 0.505 214 L N 0.301 121.625 121.223 0.169 0.000 2.093 214 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 214 L C 2.670 179.501 176.870 -0.064 0.000 1.085 214 L CA 1.857 56.691 54.840 -0.010 0.000 0.755 214 L CB -1.733 40.364 42.059 0.062 0.000 0.904 214 L HN 0.394 nan 8.230 nan 0.000 0.435 215 A N -1.740 121.077 122.820 -0.006 0.000 1.969 215 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 215 A C 2.460 180.018 177.584 -0.042 0.000 1.169 215 A CA 1.830 53.855 52.037 -0.021 0.000 0.635 215 A CB -0.524 18.476 19.000 -0.001 0.000 0.810 215 A HN 0.439 nan 8.150 nan 0.000 0.445 216 S N -0.533 115.140 115.700 -0.044 0.000 2.395 216 S HA -0.063 4.407 4.470 -0.000 0.000 0.225 216 S C 1.776 176.347 174.600 -0.048 0.000 1.027 216 S CA 1.112 59.298 58.200 -0.023 0.000 0.965 216 S CB -0.303 62.907 63.200 0.017 0.000 0.812 216 S HN 0.474 nan 8.310 nan 0.000 0.482 217 L N 1.612 122.763 121.223 -0.121 0.000 2.141 217 L HA 0.161 4.501 4.340 -0.000 0.000 0.209 217 L C 1.594 178.364 176.870 -0.166 0.000 1.094 217 L CA 2.077 56.805 54.840 -0.186 0.000 0.763 217 L CB -1.015 40.918 42.059 -0.209 0.000 0.908 217 L HN 0.461 nan 8.230 nan 0.000 0.437 218 G N -1.598 107.129 108.800 -0.122 0.000 2.184 218 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.206 218 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.206 218 G C 0.347 175.195 174.900 -0.087 0.000 0.995 218 G CA 0.214 45.254 45.100 -0.101 0.000 0.651 218 G HN 0.783 nan 8.290 nan 0.000 0.511 219 V N -0.194 119.663 119.914 -0.094 0.000 2.963 219 V HA 0.701 4.821 4.120 -0.000 0.000 0.306 219 V C 1.347 177.387 176.094 -0.090 0.000 1.077 219 V CA 1.305 63.559 62.300 -0.078 0.000 1.124 219 V CB 1.263 33.037 31.823 -0.081 0.000 0.987 219 V HN 1.042 nan 8.190 nan 0.000 0.487 220 T N -1.252 113.250 114.554 -0.087 0.000 3.040 220 T HA 0.669 5.019 4.350 -0.000 0.000 0.266 220 T C 0.322 174.922 174.700 -0.167 0.000 1.005 220 T CA 0.398 62.438 62.100 -0.100 0.000 0.906 220 T CB 0.197 69.021 68.868 -0.074 0.000 1.082 220 T HN 1.798 nan 8.240 nan 0.000 0.531 221 A N 0.632 123.321 122.820 -0.219 0.000 2.488 221 A HA 0.713 5.032 4.320 -0.000 0.000 0.295 221 A C -1.190 176.151 177.584 -0.405 0.000 1.045 221 A CA -0.684 51.106 52.037 -0.412 0.000 0.703 221 A CB 1.891 20.584 19.000 -0.513 0.000 1.271 221 A HN 0.449 nan 8.150 nan 0.000 0.400 222 V N 1.969 121.525 119.914 -0.597 0.000 2.427 222 V HA 0.613 4.733 4.120 -0.000 0.000 0.286 222 V C -0.101 175.574 176.094 -0.699 0.000 1.034 222 V CA -0.289 61.613 62.300 -0.663 0.000 0.893 222 V CB 1.365 32.567 31.823 -1.036 0.000 0.982 222 V HN 0.940 nan 8.190 nan 0.000 0.452 223 E N 5.674 125.583 120.200 -0.485 0.000 2.129 223 E HA 0.428 4.777 4.350 -0.000 0.000 0.268 223 E C -1.532 174.837 176.600 -0.385 0.000 0.900 223 E CA -0.601 55.628 56.400 -0.286 0.000 0.755 223 E CB 0.970 30.647 29.700 -0.040 0.000 1.117 223 E HN 0.604 nan 8.360 nan 0.000 0.410 224 F N 3.313 123.212 119.950 -0.084 0.000 2.379 224 F HA 0.282 4.809 4.527 -0.000 0.000 0.332 224 F C 0.442 176.139 175.800 -0.171 0.000 1.096 224 F CA -0.667 57.257 58.000 -0.128 0.000 1.105 224 F CB 0.555 39.505 39.000 -0.083 0.000 1.189 224 F HN 0.403 nan 8.300 nan 0.000 0.515 225 L N 3.698 124.896 121.223 -0.041 0.000 2.474 225 L HA 0.237 4.577 4.340 -0.000 0.000 0.259 225 L C -1.990 174.723 176.870 -0.263 0.000 1.232 225 L CA -1.466 53.227 54.840 -0.244 0.000 0.821 225 L CB -0.493 41.377 42.059 -0.316 0.000 1.108 225 L HN 0.404 nan 8.230 nan 0.000 0.495 226 P HA -0.117 nan 4.420 nan 0.000 0.257 226 P C 0.242 177.453 177.300 -0.149 0.000 1.153 226 P CA 0.581 63.479 63.100 -0.336 0.000 0.762 226 P CB 0.139 31.549 31.700 -0.484 0.000 0.743 227 V N 0.921 120.755 119.914 -0.132 0.000 3.645 227 V HA 0.159 4.279 4.120 -0.000 0.000 0.275 227 V C 0.642 176.702 176.094 -0.057 0.000 1.356 227 V CA 0.310 62.637 62.300 0.046 0.000 1.051 227 V CB -0.882 31.028 31.823 0.145 0.000 0.828 227 V HN 0.312 nan 8.190 nan 0.000 0.441 228 Q N 1.866 121.521 119.800 -0.243 0.000 2.332 228 Q HA 0.191 4.530 4.340 -0.000 0.000 0.263 228 Q C -0.030 175.917 176.000 -0.089 0.000 0.979 228 Q CA -0.098 55.611 55.803 -0.158 0.000 0.885 228 Q CB 0.499 29.087 28.738 -0.250 0.000 1.218 228 Q HN 0.393 nan 8.270 nan 0.000 0.405 229 E N 1.690 121.878 120.200 -0.019 0.000 3.311 229 E HA -0.184 4.166 4.350 -0.000 0.000 0.264 229 E C -0.414 176.130 176.600 -0.093 0.000 0.875 229 E CA 0.938 57.303 56.400 -0.057 0.000 0.969 229 E CB 0.293 29.975 29.700 -0.031 0.000 0.910 229 E HN 0.459 nan 8.360 nan 0.000 0.548 230 T N 2.207 116.693 114.554 -0.113 0.000 2.916 230 T HA 0.190 4.540 4.350 -0.000 0.000 0.292 230 T C -0.704 173.957 174.700 -0.065 0.000 1.064 230 T CA -0.795 61.263 62.100 -0.071 0.000 1.011 230 T CB 1.416 70.255 68.868 -0.049 0.000 1.152 230 T HN 0.308 nan 8.240 nan 0.000 0.510 231 Q N 2.824 122.615 119.800 -0.015 0.000 2.325 231 Q HA 0.270 4.609 4.340 -0.000 0.000 0.256 231 Q C 0.225 176.229 176.000 0.006 0.000 1.142 231 Q CA 0.423 56.215 55.803 -0.018 0.000 0.902 231 Q CB -0.223 28.523 28.738 0.014 0.000 1.350 231 Q HN 0.693 nan 8.270 nan 0.000 0.449 232 N N 1.229 119.915 118.700 -0.023 0.000 1.952 232 N HA 0.008 4.748 4.740 -0.000 0.000 0.228 232 N C -0.264 175.250 175.510 0.006 0.000 1.398 232 N CA 0.008 53.068 53.050 0.015 0.000 0.817 232 N CB 0.056 38.554 38.487 0.019 0.000 1.101 232 N HN 0.283 nan 8.380 nan 0.000 0.498 233 D N 1.204 121.584 120.400 -0.033 0.000 2.309 233 D HA 0.053 4.693 4.640 -0.000 0.000 0.212 233 D C 1.083 177.370 176.300 -0.021 0.000 0.968 233 D CA 1.169 55.149 54.000 -0.034 0.000 0.882 233 D CB 0.066 40.828 40.800 -0.063 0.000 0.918 233 D HN 0.561 nan 8.370 nan 0.000 0.503 234 A N -0.170 122.642 122.820 -0.013 0.000 2.423 234 A HA 0.100 4.420 4.320 -0.000 0.000 0.246 234 A C 1.591 179.178 177.584 0.005 0.000 1.278 234 A CA -0.278 51.751 52.037 -0.014 0.000 0.903 234 A CB -0.444 18.544 19.000 -0.019 0.000 0.997 234 A HN 0.127 nan 8.150 nan 0.000 0.510 235 N N 0.423 119.145 118.700 0.037 0.000 2.149 235 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 235 N C 0.146 175.685 175.510 0.049 0.000 1.019 235 N CA 1.307 54.397 53.050 0.067 0.000 0.857 235 N CB 0.022 38.594 38.487 0.141 0.000 0.997 235 N HN 0.390 nan 8.380 nan 0.000 0.426 236 D N 0.022 120.447 120.400 0.042 0.000 2.363 236 D HA 0.068 4.708 4.640 -0.000 0.000 0.214 236 D C 1.654 177.939 176.300 -0.025 0.000 1.093 236 D CA 0.018 54.031 54.000 0.021 0.000 0.837 236 D CB 0.465 41.300 40.800 0.059 0.000 0.948 236 D HN 0.013 nan 8.370 nan 0.000 0.507 237 V N 0.427 120.320 119.914 -0.034 0.000 2.255 237 V HA -0.150 3.969 4.120 -0.000 0.000 0.247 237 V C 1.201 177.253 176.094 -0.070 0.000 1.051 237 V CA 1.146 63.417 62.300 -0.048 0.000 1.018 237 V CB -0.045 31.752 31.823 -0.045 0.000 0.641 237 V HN 0.017 nan 8.190 nan 0.000 0.445 238 V N 3.073 122.930 119.914 -0.095 0.000 2.350 238 V HA 0.321 4.440 4.120 -0.000 0.000 0.276 238 V C -1.970 174.000 176.094 -0.206 0.000 1.028 238 V CA -1.599 60.621 62.300 -0.133 0.000 0.860 238 V CB 1.088 32.830 31.823 -0.135 0.000 0.990 238 V HN 0.367 nan 8.190 nan 0.000 0.453 239 P HA 0.197 nan 4.420 nan 0.000 0.274 239 P C -0.157 176.834 177.300 -0.514 0.000 1.231 239 P CA -0.195 62.729 63.100 -0.293 0.000 0.790 239 P CB 0.458 32.052 31.700 -0.178 0.000 0.951 240 N N -1.423 116.756 118.700 -0.869 0.000 2.725 240 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 240 N C -0.459 174.175 175.510 -1.460 0.000 1.031 240 N CA 1.200 53.303 53.050 -1.579 0.000 0.720 240 N CB -1.770 36.284 38.487 -0.722 0.000 0.930 240 N HN 0.578 nan 8.380 nan 0.000 0.543 241 S N -0.214 114.623 115.700 -1.438 0.000 2.592 241 S HA 0.305 4.775 4.470 -0.000 0.000 0.275 241 S C 0.068 174.452 174.600 -0.360 0.000 1.169 241 S CA -0.509 57.314 58.200 -0.627 0.000 0.958 241 S CB 1.152 64.141 63.200 -0.351 0.000 1.095 241 S HN 0.212 nan 8.310 nan 0.000 0.471 242 D N 3.935 124.353 120.400 0.029 0.000 2.340 242 D HA 0.234 4.874 4.640 -0.000 0.000 0.220 242 D C 1.675 177.961 176.300 -0.022 0.000 1.039 242 D CA 0.594 54.656 54.000 0.103 0.000 0.866 242 D CB -0.055 40.825 40.800 0.134 0.000 0.913 242 D HN 0.510 nan 8.370 nan 0.000 0.523 243 A N 1.512 124.303 122.820 -0.048 0.000 1.896 243 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 243 A C 1.761 179.322 177.584 -0.039 0.000 1.206 243 A CA 1.651 53.660 52.037 -0.048 0.000 0.647 243 A CB -0.532 18.433 19.000 -0.059 0.000 0.828 243 A HN 0.329 nan 8.150 nan 0.000 0.455 244 N N 0.086 118.762 118.700 -0.040 0.000 2.273 244 N HA 0.119 4.859 4.740 -0.000 0.000 0.231 244 N C -0.521 174.990 175.510 0.001 0.000 1.134 244 N CA 0.045 53.083 53.050 -0.021 0.000 0.856 244 N CB 0.569 39.038 38.487 -0.029 0.000 1.068 244 N HN 0.666 nan 8.380 nan 0.000 0.510 245 Q N 0.684 120.485 119.800 0.001 0.000 2.222 245 Q HA 0.303 4.643 4.340 -0.000 0.000 0.252 245 Q C -0.340 175.688 176.000 0.047 0.000 0.926 245 Q CA -0.353 55.472 55.803 0.037 0.000 0.899 245 Q CB 1.902 30.671 28.738 0.052 0.000 1.250 245 Q HN 0.129 nan 8.270 nan 0.000 0.441 246 N N 1.403 120.177 118.700 0.123 0.000 2.540 246 N HA 0.093 4.833 4.740 -0.000 0.000 0.275 246 N C -0.964 174.714 175.510 0.279 0.000 1.053 246 N CA 0.046 53.209 53.050 0.187 0.000 0.876 246 N CB 0.738 39.335 38.487 0.184 0.000 1.284 246 N HN 0.636 nan 8.380 nan 0.000 0.518 247 Y N 4.638 125.013 120.300 0.125 0.000 2.222 247 Y HA 0.149 4.699 4.550 -0.000 0.000 0.290 247 Y C 1.293 177.486 175.900 0.488 0.000 1.123 247 Y CA 1.164 59.387 58.100 0.205 0.000 1.120 247 Y CB -0.233 38.241 38.460 0.022 0.000 1.060 247 Y HN 0.550 nan 8.280 nan 0.000 0.508 248 W N 0.782 122.230 121.300 0.246 0.000 2.304 248 W HA -0.017 4.643 4.660 -0.000 0.000 0.315 248 W C 1.991 178.511 176.519 0.000 0.000 1.233 248 W CA 2.349 59.810 57.345 0.194 0.000 1.261 248 W CB -1.339 28.407 29.460 0.478 0.000 1.150 248 W HN 0.447 nan 8.180 nan 0.000 0.494 249 G N -2.051 106.931 108.800 0.303 0.000 2.140 249 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.211 249 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.211 249 G C -0.241 174.603 174.900 -0.093 0.000 1.013 249 G CA -0.159 44.984 45.100 0.071 0.000 0.705 249 G HN 0.301 nan 8.290 nan 0.000 0.508 250 Y N 0.101 120.535 120.300 0.223 0.000 2.976 250 Y HA 0.582 5.132 4.550 -0.000 0.000 0.389 250 Y C 1.051 177.084 175.900 0.222 0.000 1.072 250 Y CA -0.079 58.128 58.100 0.180 0.000 1.809 250 Y CB 0.385 39.000 38.460 0.259 0.000 1.736 250 Y HN 0.193 nan 8.280 nan 0.000 0.471 251 M N 0.846 120.555 119.600 0.183 0.000 2.060 251 M HA 0.173 4.653 4.480 -0.000 0.000 0.231 251 M C -0.643 175.661 176.300 0.007 0.000 0.936 251 M CA -0.370 55.030 55.300 0.166 0.000 0.981 251 M CB 0.941 33.654 32.600 0.188 0.000 2.216 251 M HN -0.009 nan 8.290 nan 0.000 0.399 252 T N 1.628 116.099 114.554 -0.138 0.000 2.832 252 T HA 0.285 4.635 4.350 -0.000 0.000 0.296 252 T C 1.236 175.886 174.700 -0.083 0.000 0.968 252 T CA -0.202 61.761 62.100 -0.227 0.000 1.107 252 T CB 1.339 69.910 68.868 -0.495 0.000 0.916 252 T HN 0.485 nan 8.240 nan 0.000 0.517 253 E N 2.222 122.423 120.200 0.002 0.000 2.276 253 E HA 0.088 4.438 4.350 -0.000 0.000 0.193 253 E C 0.502 177.128 176.600 0.044 0.000 0.983 253 E CA 0.111 56.612 56.400 0.169 0.000 0.861 253 E CB 0.357 30.093 29.700 0.060 0.000 0.817 253 E HN 0.577 nan 8.360 nan 0.000 0.485 254 N N -1.103 117.546 118.700 -0.086 0.000 2.521 254 N HA 0.074 4.814 4.740 -0.000 0.000 0.269 254 N C -0.979 174.492 175.510 -0.065 0.000 1.079 254 N CA -0.299 52.696 53.050 -0.092 0.000 0.980 254 N CB 0.689 39.151 38.487 -0.040 0.000 1.667 254 N HN -0.169 nan 8.380 nan 0.000 0.498 255 Y N 1.758 122.181 120.300 0.204 0.000 2.529 255 Y HA 0.262 4.812 4.550 -0.000 0.000 0.290 255 Y C 0.446 176.389 175.900 0.072 0.000 1.177 255 Y CA 0.382 58.501 58.100 0.032 0.000 1.305 255 Y CB 0.081 38.513 38.460 -0.046 0.000 1.047 255 Y HN 0.549 nan 8.280 nan 0.000 0.522 256 F N -1.898 118.238 119.950 0.309 0.000 2.682 256 F HA 0.235 4.762 4.527 -0.000 0.000 0.308 256 F C 0.630 176.562 175.800 0.220 0.000 1.093 256 F CA -0.238 57.889 58.000 0.213 0.000 1.244 256 F CB 0.368 39.208 39.000 -0.266 0.000 1.052 256 F HN -0.364 nan 8.300 nan 0.000 0.573 257 S N 1.717 117.681 115.700 0.441 0.000 2.451 257 S HA 0.427 4.897 4.470 -0.000 0.000 0.301 257 S C -2.599 172.228 174.600 0.378 0.000 1.116 257 S CA -1.393 56.995 58.200 0.314 0.000 1.093 257 S CB 1.405 64.705 63.200 0.166 0.000 1.017 257 S HN -0.220 nan 8.310 nan 0.000 0.482 258 P HA 0.128 nan 4.420 nan 0.000 0.279 258 P C -0.540 176.928 177.300 0.280 0.000 1.239 258 P CA -0.525 62.780 63.100 0.343 0.000 0.789 258 P CB 0.429 32.244 31.700 0.192 0.000 0.933 259 D N 2.389 122.950 120.400 0.268 0.000 2.450 259 D HA -0.045 4.595 4.640 -0.000 0.000 0.247 259 D C 1.166 177.535 176.300 0.115 0.000 1.162 259 D CA 0.186 54.218 54.000 0.055 0.000 0.879 259 D CB 0.646 41.280 40.800 -0.277 0.000 1.163 259 D HN 0.285 nan 8.370 nan 0.000 0.472 260 R N 3.635 124.161 120.500 0.044 0.000 2.115 260 R HA -0.129 4.211 4.340 -0.000 0.000 0.230 260 R C 2.300 178.609 176.300 0.015 0.000 1.111 260 R CA 0.927 57.069 56.100 0.071 0.000 0.976 260 R CB 0.058 30.382 30.300 0.041 0.000 0.870 260 R HN 0.443 nan 8.270 nan 0.000 0.445 261 R N -0.715 119.728 120.500 -0.096 0.000 2.193 261 R HA -0.148 4.192 4.340 -0.000 0.000 0.229 261 R C 0.716 177.038 176.300 0.035 0.000 1.110 261 R CA 1.236 57.292 56.100 -0.073 0.000 0.988 261 R CB -0.000 30.216 30.300 -0.139 0.000 0.871 261 R HN 0.290 nan 8.270 nan 0.000 0.458 262 Y N -0.567 119.666 120.300 -0.112 0.000 2.466 262 Y HA 0.384 4.933 4.550 -0.000 0.000 0.272 262 Y C 0.727 176.279 175.900 -0.580 0.000 1.169 262 Y CA -0.583 57.300 58.100 -0.363 0.000 1.285 262 Y CB -0.163 37.966 38.460 -0.551 0.000 1.078 262 Y HN 0.062 nan 8.280 nan 0.000 0.523 263 A N -0.882 121.903 122.820 -0.058 0.000 2.295 263 A HA 0.357 4.677 4.320 -0.000 0.000 0.318 263 A C 0.522 178.211 177.584 0.174 0.000 1.134 263 A CA -0.492 51.632 52.037 0.145 0.000 0.827 263 A CB 0.456 19.666 19.000 0.349 0.000 1.136 263 A HN 0.345 nan 8.150 nan 0.000 0.493 264 Y N 1.829 122.226 120.300 0.162 0.000 2.301 264 Y HA 0.090 4.640 4.550 -0.000 0.000 0.295 264 Y C 0.765 176.723 175.900 0.096 0.000 1.119 264 Y CA 1.221 59.394 58.100 0.121 0.000 1.162 264 Y CB 0.134 38.708 38.460 0.191 0.000 1.046 264 Y HN 0.587 nan 8.280 nan 0.000 0.538 265 N N 1.894 120.488 118.700 -0.177 0.000 2.469 265 N HA 0.089 4.829 4.740 -0.000 0.000 0.239 265 N C -0.381 175.105 175.510 -0.041 0.000 1.053 265 N CA 0.081 52.998 53.050 -0.222 0.000 0.937 265 N CB 0.418 38.895 38.487 -0.017 0.000 1.163 265 N HN 0.351 nan 8.380 nan 0.000 0.509 266 K N 1.378 121.731 120.400 -0.078 0.000 2.437 266 K HA 0.220 4.540 4.320 -0.000 0.000 0.198 266 K C 0.405 177.025 176.600 0.032 0.000 1.024 266 K CA -0.284 56.005 56.287 0.002 0.000 1.148 266 K CB 0.462 32.952 32.500 -0.016 0.000 0.860 266 K HN 0.486 nan 8.250 nan 0.000 0.515 267 A N 1.360 124.195 122.820 0.024 0.000 2.296 267 A HA 0.516 4.836 4.320 -0.000 0.000 0.264 267 A C 0.105 177.739 177.584 0.085 0.000 1.097 267 A CA -0.450 51.621 52.037 0.056 0.000 0.811 267 A CB 0.233 19.254 19.000 0.035 0.000 1.072 267 A HN 0.300 nan 8.150 nan 0.000 0.495 268 A N -0.409 122.470 122.820 0.098 0.000 2.545 268 A HA 0.466 4.786 4.320 -0.000 0.000 0.253 268 A C 1.564 179.186 177.584 0.062 0.000 1.074 268 A CA 0.864 52.946 52.037 0.075 0.000 0.760 268 A CB -1.128 17.877 19.000 0.009 0.000 1.005 268 A HN 2.723 nan 8.150 nan 0.000 0.506 269 G N 1.780 110.625 108.800 0.074 0.000 2.199 269 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.254 269 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.254 269 G C 1.329 176.284 174.900 0.093 0.000 0.982 269 G CA 0.976 46.122 45.100 0.077 0.000 0.632 269 G HN 1.760 nan 8.290 nan 0.000 0.529 270 G N 1.347 110.207 108.800 0.100 0.000 2.414 270 G HA2 0.125 4.085 3.960 -0.000 0.000 0.215 270 G HA3 0.125 4.085 3.960 -0.000 0.000 0.215 270 G C 0.085 175.092 174.900 0.178 0.000 1.188 270 G CA 1.785 46.957 45.100 0.119 0.000 0.783 270 G HN 0.514 nan 8.290 nan 0.000 0.537 271 P HA -0.066 nan 4.420 nan 0.000 0.215 271 P C 2.074 179.504 177.300 0.216 0.000 1.153 271 P CA 1.855 65.137 63.100 0.304 0.000 0.853 271 P CB -0.200 31.678 31.700 0.296 0.000 0.788 272 T N -0.320 114.320 114.554 0.143 0.000 2.622 272 T HA -0.189 4.161 4.350 -0.000 0.000 0.266 272 T C 1.925 176.683 174.700 0.096 0.000 1.047 272 T CA 1.898 64.049 62.100 0.085 0.000 1.159 272 T CB -1.177 67.736 68.868 0.074 0.000 0.863 272 T HN 0.045 nan 8.240 nan 0.000 0.422 273 A N 0.961 123.843 122.820 0.103 0.000 1.972 273 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 273 A C 2.189 179.844 177.584 0.118 0.000 1.169 273 A CA 1.905 53.999 52.037 0.095 0.000 0.635 273 A CB -0.590 18.465 19.000 0.091 0.000 0.810 273 A HN 0.643 nan 8.150 nan 0.000 0.446 274 E N -1.467 118.839 120.200 0.176 0.000 2.072 274 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 274 E C 1.698 178.374 176.600 0.127 0.000 0.982 274 E CA 1.024 57.560 56.400 0.226 0.000 0.803 274 E CB -0.224 29.709 29.700 0.388 0.000 0.755 274 E HN 0.603 nan 8.360 nan 0.000 0.453 275 F N 1.696 121.573 119.950 -0.122 0.000 2.146 275 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 275 F C 2.192 177.917 175.800 -0.124 0.000 1.096 275 F CA 1.587 59.403 58.000 -0.307 0.000 1.275 275 F CB -0.020 38.706 39.000 -0.456 0.000 1.008 275 F HN 0.024 nan 8.300 nan 0.000 0.480 276 Q N -0.060 119.809 119.800 0.116 0.000 2.124 276 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 276 Q C 2.445 178.415 176.000 -0.050 0.000 0.977 276 Q CA 1.469 57.297 55.803 0.042 0.000 0.850 276 Q CB -0.508 28.254 28.738 0.039 0.000 0.901 276 Q HN 0.522 nan 8.270 nan 0.000 0.429 277 A N 0.974 123.767 122.820 -0.046 0.000 1.930 277 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 277 A C 2.004 179.475 177.584 -0.188 0.000 1.175 277 A CA 1.186 53.169 52.037 -0.090 0.000 0.627 277 A CB -0.513 18.458 19.000 -0.048 0.000 0.815 277 A HN 0.414 nan 8.150 nan 0.000 0.443 278 M N 0.464 119.934 119.600 -0.216 0.000 2.086 278 M HA -0.130 4.350 4.480 -0.000 0.000 0.261 278 M C 2.109 178.270 176.300 -0.232 0.000 1.067 278 M CA 2.417 57.551 55.300 -0.277 0.000 1.116 278 M CB -0.261 32.191 32.600 -0.246 0.000 1.348 278 M HN 0.417 nan 8.290 nan 0.000 0.407 279 V N -0.786 118.972 119.914 -0.259 0.000 2.626 279 V HA -0.228 3.892 4.120 -0.000 0.000 0.252 279 V C 1.999 177.906 176.094 -0.312 0.000 1.067 279 V CA 2.063 64.207 62.300 -0.261 0.000 1.081 279 V CB -1.176 30.418 31.823 -0.381 0.000 0.686 279 V HN 0.734 nan 8.190 nan 0.000 0.468 280 Q N 0.729 120.415 119.800 -0.191 0.000 2.084 280 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 280 Q C 2.273 178.213 176.000 -0.100 0.000 0.978 280 Q CA 2.250 57.999 55.803 -0.091 0.000 0.844 280 Q CB -0.462 28.234 28.738 -0.070 0.000 0.898 280 Q HN 0.745 nan 8.270 nan 0.000 0.426 281 A N -0.106 122.584 122.820 -0.217 0.000 1.933 281 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 281 A C 1.672 179.097 177.584 -0.264 0.000 1.175 281 A CA 1.194 53.052 52.037 -0.298 0.000 0.628 281 A CB -0.718 17.991 19.000 -0.486 0.000 0.814 281 A HN 0.473 nan 8.150 nan 0.000 0.444 282 F N -0.784 119.098 119.950 -0.115 0.000 2.128 282 F HA -0.038 4.489 4.527 -0.000 0.000 0.295 282 F C 2.445 178.251 175.800 0.011 0.000 1.100 282 F CA 1.415 59.370 58.000 -0.073 0.000 1.260 282 F CB -0.732 38.200 39.000 -0.113 0.000 1.009 282 F HN 0.274 nan 8.300 nan 0.000 0.476 283 H N -0.065 119.074 119.070 0.114 0.000 2.421 283 H HA -0.099 4.457 4.556 -0.000 0.000 0.298 283 H C 1.936 177.267 175.328 0.004 0.000 1.087 283 H CA 1.211 57.280 56.048 0.035 0.000 1.330 283 H CB -0.618 29.153 29.762 0.016 0.000 1.388 283 H HN 0.148 nan 8.280 nan 0.000 0.526 284 N N 0.332 119.100 118.700 0.115 0.000 2.244 284 N HA -0.047 4.693 4.740 -0.000 0.000 0.183 284 N C 1.699 177.220 175.510 0.018 0.000 1.016 284 N CA 1.030 54.099 53.050 0.032 0.000 0.866 284 N CB -0.158 38.317 38.487 -0.020 0.000 0.980 284 N HN 0.339 nan 8.380 nan 0.000 0.430 285 A N -0.340 122.501 122.820 0.035 0.000 2.238 285 A HA 0.388 4.708 4.320 -0.000 0.000 0.208 285 A C 1.410 179.014 177.584 0.034 0.000 1.177 285 A CA 0.787 52.841 52.037 0.028 0.000 0.804 285 A CB -0.380 18.649 19.000 0.048 0.000 0.823 285 A HN 0.301 nan 8.150 nan 0.000 0.482 286 G N -0.921 107.906 108.800 0.046 0.000 2.136 286 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.242 286 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.242 286 G C 0.022 174.930 174.900 0.012 0.000 0.989 286 G CA 0.326 45.434 45.100 0.013 0.000 0.682 286 G HN 0.479 nan 8.290 nan 0.000 0.522 287 I N 0.558 121.169 120.570 0.067 0.000 2.359 287 I HA 0.346 4.516 4.170 -0.000 0.000 0.294 287 I C 0.747 176.863 176.117 -0.002 0.000 0.987 287 I CA -0.776 60.529 61.300 0.008 0.000 1.225 287 I CB 1.347 39.373 38.000 0.044 0.000 1.366 287 I HN -0.062 nan 8.210 nan 0.000 0.466 288 K N 4.290 124.586 120.400 -0.174 0.000 2.154 288 K HA 0.510 4.830 4.320 -0.000 0.000 0.264 288 K C -0.958 175.358 176.600 -0.472 0.000 1.008 288 K CA -0.548 55.582 56.287 -0.261 0.000 0.937 288 K CB 1.556 33.784 32.500 -0.453 0.000 1.002 288 K HN 0.289 nan 8.250 nan 0.000 0.469 289 V N 3.633 123.336 119.914 -0.351 0.000 2.407 289 V HA 0.245 4.365 4.120 -0.000 0.000 0.291 289 V C -1.172 174.805 176.094 -0.195 0.000 1.018 289 V CA -0.883 61.206 62.300 -0.351 0.000 0.842 289 V CB 0.305 32.035 31.823 -0.154 0.000 0.996 289 V HN 0.537 nan 8.190 nan 0.000 0.426 290 Y N 3.924 124.124 120.300 -0.166 0.000 2.457 290 Y HA 0.710 5.260 4.550 -0.000 0.000 0.333 290 Y C 0.240 176.084 175.900 -0.094 0.000 1.119 290 Y CA -1.753 56.266 58.100 -0.135 0.000 1.143 290 Y CB 1.780 40.199 38.460 -0.069 0.000 1.230 290 Y HN 0.460 nan 8.280 nan 0.000 0.469 291 M N 2.209 121.848 119.600 0.064 0.000 2.383 291 M HA 0.225 4.705 4.480 -0.000 0.000 0.325 291 M C -1.141 175.159 176.300 0.001 0.000 1.092 291 M CA -0.819 54.504 55.300 0.039 0.000 0.961 291 M CB 1.620 34.210 32.600 -0.017 0.000 1.672 291 M HN 0.552 nan 8.290 nan 0.000 0.438 292 D N 3.476 123.842 120.400 -0.056 0.000 2.316 292 D HA 0.386 5.026 4.640 -0.000 0.000 0.245 292 D C -1.133 175.043 176.300 -0.207 0.000 1.171 292 D CA -0.151 53.783 54.000 -0.109 0.000 0.856 292 D CB 0.919 41.657 40.800 -0.104 0.000 1.090 292 D HN 0.401 nan 8.370 nan 0.000 0.476 293 V N 1.793 121.544 119.914 -0.270 0.000 2.715 293 V HA 0.639 4.759 4.120 -0.000 0.000 0.310 293 V C -0.248 175.636 176.094 -0.350 0.000 1.054 293 V CA -0.999 61.051 62.300 -0.418 0.000 0.928 293 V CB 1.769 33.273 31.823 -0.533 0.000 1.007 293 V HN 0.259 nan 8.190 nan 0.000 0.437 294 V N 5.284 124.935 119.914 -0.437 0.000 2.320 294 V HA 0.510 4.629 4.120 -0.000 0.000 0.268 294 V C -0.753 175.114 176.094 -0.378 0.000 1.021 294 V CA -0.153 61.993 62.300 -0.256 0.000 0.813 294 V CB 0.558 32.345 31.823 -0.059 0.000 1.054 294 V HN 0.873 nan 8.190 nan 0.000 0.444 295 Y N 3.916 124.135 120.300 -0.135 0.000 2.493 295 Y HA 0.199 4.749 4.550 -0.000 0.000 0.275 295 Y C 1.834 177.675 175.900 -0.098 0.000 1.183 295 Y CA 0.420 58.338 58.100 -0.304 0.000 1.258 295 Y CB -0.133 38.148 38.460 -0.299 0.000 1.108 295 Y HN 0.827 nan 8.280 nan 0.000 0.521 296 N N -0.446 118.334 118.700 0.133 0.000 2.416 296 N HA -0.072 4.667 4.740 -0.000 0.000 0.177 296 N C 0.442 176.139 175.510 0.312 0.000 1.036 296 N CA 0.831 54.033 53.050 0.254 0.000 0.901 296 N CB -0.035 38.612 38.487 0.266 0.000 0.976 296 N HN 0.346 nan 8.380 nan 0.000 0.444 297 H N -3.613 115.538 119.070 0.133 0.000 2.933 297 H HA 0.532 5.088 4.556 -0.000 0.000 0.310 297 H C -1.527 173.801 175.328 -0.000 0.000 1.351 297 H CA -0.790 55.336 56.048 0.129 0.000 1.137 297 H CB 1.012 30.838 29.762 0.107 0.000 1.853 297 H HN -0.125 nan 8.280 nan 0.000 0.539 298 T N -0.291 114.307 114.554 0.072 0.000 2.916 298 T HA 0.525 4.875 4.350 -0.000 0.000 0.292 298 T C 1.140 175.894 174.700 0.090 0.000 1.064 298 T CA 0.138 62.135 62.100 -0.171 0.000 1.011 298 T CB 1.672 70.353 68.868 -0.313 0.000 1.152 298 T HN 0.736 nan 8.240 nan 0.000 0.510 299 A N 0.618 123.487 122.820 0.082 0.000 2.121 299 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 299 A C 1.785 179.459 177.584 0.150 0.000 1.154 299 A CA 1.312 53.458 52.037 0.181 0.000 0.679 299 A CB -0.481 18.663 19.000 0.240 0.000 0.795 299 A HN 0.891 nan 8.150 nan 0.000 0.458 300 E N -0.676 119.568 120.200 0.073 0.000 2.338 300 E HA 0.172 4.522 4.350 -0.000 0.000 0.197 300 E C 1.472 178.026 176.600 -0.078 0.000 1.007 300 E CA 0.183 56.544 56.400 -0.064 0.000 0.849 300 E CB -0.261 29.383 29.700 -0.095 0.000 0.774 300 E HN 0.691 nan 8.360 nan 0.000 0.506 301 G N 0.236 108.999 108.800 -0.063 0.000 2.566 301 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.280 301 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.280 301 G C 0.378 175.036 174.900 -0.402 0.000 1.225 301 G CA -0.271 44.755 45.100 -0.122 0.000 0.966 301 G HN 0.508 nan 8.290 nan 0.000 0.560 302 G N -1.744 106.873 108.800 -0.304 0.000 3.286 302 G HA2 0.807 4.767 3.960 -0.000 0.000 0.166 302 G HA3 0.807 4.767 3.960 -0.000 0.000 0.166 302 G C 0.444 175.310 174.900 -0.056 0.000 1.155 302 G CA 1.084 45.878 45.100 -0.511 0.000 0.871 302 G HN 1.883 nan 8.290 nan 0.000 0.637 303 T N -1.644 113.082 114.554 0.286 0.000 2.910 303 T HA 0.168 4.518 4.350 -0.000 0.000 0.293 303 T C 0.723 175.663 174.700 0.400 0.000 1.015 303 T CA -0.418 61.896 62.100 0.356 0.000 1.094 303 T CB 1.486 70.603 68.868 0.416 0.000 0.968 303 T HN 0.390 nan 8.240 nan 0.000 0.521 304 W N 2.096 123.467 121.300 0.118 0.000 2.342 304 W HA 0.051 4.711 4.660 -0.000 0.000 0.297 304 W C 1.679 178.257 176.519 0.098 0.000 1.213 304 W CA 1.179 58.580 57.345 0.094 0.000 1.251 304 W CB -1.226 28.294 29.460 0.100 0.000 1.136 304 W HN 0.950 nan 8.180 nan 0.000 0.526 305 T N -4.155 110.609 114.554 0.350 0.000 2.901 305 T HA 0.427 4.777 4.350 -0.000 0.000 0.293 305 T C 0.775 175.623 174.700 0.246 0.000 1.084 305 T CA -0.092 62.152 62.100 0.241 0.000 1.008 305 T CB 1.885 70.880 68.868 0.212 0.000 1.170 305 T HN -0.071 nan 8.240 nan 0.000 0.509 306 S N -0.225 115.562 115.700 0.146 0.000 2.593 306 S HA 0.101 4.571 4.470 -0.000 0.000 0.217 306 S C 1.419 176.008 174.600 -0.018 0.000 0.966 306 S CA 0.295 58.518 58.200 0.039 0.000 0.914 306 S CB -0.588 62.577 63.200 -0.059 0.000 0.776 306 S HN 0.875 nan 8.310 nan 0.000 0.523 307 S N -0.066 115.725 115.700 0.150 0.000 2.526 307 S HA 0.239 4.708 4.470 -0.000 0.000 0.220 307 S C -0.212 174.562 174.600 0.290 0.000 1.017 307 S CA -0.272 58.030 58.200 0.169 0.000 0.930 307 S CB -0.057 63.203 63.200 0.101 0.000 0.856 307 S HN 0.423 nan 8.310 nan 0.000 0.497 308 D N 2.434 123.026 120.400 0.320 0.000 2.481 308 D HA 0.412 5.052 4.640 -0.000 0.000 0.246 308 D C -2.146 174.256 176.300 0.170 0.000 1.109 308 D CA -2.190 51.940 54.000 0.215 0.000 0.845 308 D CB 2.212 43.103 40.800 0.151 0.000 1.160 308 D HN -0.052 nan 8.370 nan 0.000 0.534 309 P HA 0.003 nan 4.420 nan 0.000 0.249 309 P C 0.926 178.138 177.300 -0.146 0.000 1.229 309 P CA 0.439 63.313 63.100 -0.377 0.000 0.788 309 P CB 0.277 31.555 31.700 -0.703 0.000 1.072 310 T N -3.937 110.590 114.554 -0.046 0.000 3.009 310 T HA 0.041 4.390 4.350 -0.000 0.000 0.258 310 T C 0.896 175.575 174.700 -0.034 0.000 1.063 310 T CA 0.683 62.776 62.100 -0.012 0.000 1.139 310 T CB -1.159 67.720 68.868 0.017 0.000 0.890 310 T HN -0.065 nan 8.240 nan 0.000 0.471 311 T N 2.735 117.246 114.554 -0.072 0.000 2.733 311 T HA 0.739 5.089 4.350 -0.000 0.000 0.294 311 T C -0.344 174.147 174.700 -0.349 0.000 0.956 311 T CA -0.380 61.562 62.100 -0.264 0.000 0.987 311 T CB 0.983 69.666 68.868 -0.309 0.000 0.920 311 T HN 0.648 nan 8.240 nan 0.000 0.470 312 A N 2.915 125.492 122.820 -0.406 0.000 2.594 312 A HA 0.734 5.054 4.320 -0.000 0.000 0.295 312 A C -0.039 177.467 177.584 -0.131 0.000 1.071 312 A CA -0.947 50.965 52.037 -0.208 0.000 0.685 312 A CB 1.169 20.187 19.000 0.031 0.000 1.285 312 A HN 0.570 nan 8.150 nan 0.000 0.405 313 T N 1.556 116.218 114.554 0.180 0.000 2.884 313 T HA 0.529 4.879 4.350 -0.000 0.000 0.298 313 T C -0.195 174.571 174.700 0.111 0.000 0.998 313 T CA 0.611 62.881 62.100 0.282 0.000 1.124 313 T CB -0.220 68.881 68.868 0.388 0.000 0.931 313 T HN 0.377 nan 8.240 nan 0.000 0.531 314 I N 4.372 125.042 120.570 0.167 0.000 2.497 314 I HA 0.283 4.453 4.170 -0.000 0.000 0.284 314 I C -0.434 175.803 176.117 0.200 0.000 1.060 314 I CA -0.765 60.595 61.300 0.100 0.000 1.071 314 I CB 1.329 39.381 38.000 0.087 0.000 1.216 314 I HN 0.843 nan 8.210 nan 0.000 0.442 315 Y N 3.124 123.464 120.300 0.067 0.000 2.861 315 Y HA 0.482 5.032 4.550 -0.000 0.000 0.284 315 Y C 0.330 176.181 175.900 -0.082 0.000 1.006 315 Y CA -0.230 57.862 58.100 -0.013 0.000 1.245 315 Y CB -0.005 38.359 38.460 -0.161 0.000 1.415 315 Y HN 0.402 nan 8.280 nan 0.000 0.586 316 S N -1.197 114.440 115.700 -0.106 0.000 4.226 316 S HA 0.137 4.607 4.470 -0.000 0.000 0.206 316 S C 0.539 175.076 174.600 -0.105 0.000 1.207 316 S CA 0.198 58.265 58.200 -0.222 0.000 1.174 316 S CB -0.780 62.038 63.200 -0.637 0.000 1.984 316 S HN 0.279 nan 8.310 nan 0.000 0.668 317 W N 2.154 123.418 121.300 -0.060 0.000 2.275 317 W HA -0.243 4.417 4.660 -0.000 0.000 0.321 317 W C 2.392 179.029 176.519 0.197 0.000 1.269 317 W CA 1.946 59.230 57.345 -0.102 0.000 1.274 317 W CB -1.062 28.251 29.460 -0.244 0.000 1.141 317 W HN 0.548 nan 8.180 nan 0.000 0.493 318 R N 0.739 121.552 120.500 0.523 0.000 2.091 318 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 318 R C 2.558 178.917 176.300 0.099 0.000 1.136 318 R CA 2.197 58.523 56.100 0.377 0.000 0.959 318 R CB -1.070 29.363 30.300 0.221 0.000 0.856 318 R HN 0.099 nan 8.270 nan 0.000 0.437 319 G N -0.470 108.355 108.800 0.042 0.000 2.484 319 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 319 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 319 G C 1.270 176.093 174.900 -0.130 0.000 1.130 319 G CA 0.439 45.495 45.100 -0.074 0.000 0.784 319 G HN 0.271 nan 8.290 nan 0.000 0.543 320 L N -1.009 120.227 121.223 0.021 0.000 2.168 320 L HA 0.288 4.628 4.340 -0.000 0.000 0.203 320 L C 0.369 177.309 176.870 0.117 0.000 1.078 320 L CA 0.584 55.501 54.840 0.128 0.000 0.780 320 L CB 0.450 42.651 42.059 0.237 0.000 0.939 320 L HN 0.020 nan 8.230 nan 0.000 0.451 321 D N -1.672 118.827 120.400 0.166 0.000 2.914 321 D HA 0.013 4.653 4.640 -0.000 0.000 0.236 321 D C 0.209 176.640 176.300 0.218 0.000 1.405 321 D CA -0.086 53.985 54.000 0.117 0.000 0.900 321 D CB -0.024 40.872 40.800 0.161 0.000 1.518 321 D HN -0.136 nan 8.370 nan 0.000 0.548 322 N N 1.241 120.030 118.700 0.148 0.000 2.094 322 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 322 N C 1.684 177.386 175.510 0.320 0.000 1.023 322 N CA 2.180 55.442 53.050 0.354 0.000 0.857 322 N CB 0.213 38.847 38.487 0.246 0.000 1.013 322 N HN 0.329 nan 8.380 nan 0.000 0.426 323 A N -1.411 121.501 122.820 0.153 0.000 2.067 323 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 323 A C 2.210 179.820 177.584 0.044 0.000 1.158 323 A CA 1.683 53.784 52.037 0.107 0.000 0.661 323 A CB -0.697 18.346 19.000 0.072 0.000 0.801 323 A HN 0.411 nan 8.150 nan 0.000 0.452 324 T N -1.679 112.851 114.554 -0.040 0.000 2.939 324 T HA 0.007 4.357 4.350 -0.000 0.000 0.254 324 T C 1.549 176.029 174.700 -0.368 0.000 1.041 324 T CA 1.285 63.253 62.100 -0.221 0.000 1.142 324 T CB -0.306 68.358 68.868 -0.340 0.000 0.874 324 T HN 0.559 nan 8.240 nan 0.000 0.452 325 Y N -0.408 119.815 120.300 -0.128 0.000 2.420 325 Y HA 0.249 4.798 4.550 -0.000 0.000 0.292 325 Y C 0.315 175.752 175.900 -0.772 0.000 1.119 325 Y CA -0.374 57.405 58.100 -0.536 0.000 1.229 325 Y CB -0.115 38.074 38.460 -0.451 0.000 1.026 325 Y HN 0.188 nan 8.280 nan 0.000 0.554 326 Y N -0.045 120.348 120.300 0.156 0.000 2.509 326 Y HA 0.341 4.891 4.550 -0.000 0.000 0.341 326 Y C 0.095 176.132 175.900 0.228 0.000 1.038 326 Y CA -2.193 56.049 58.100 0.237 0.000 1.089 326 Y CB 0.948 39.691 38.460 0.472 0.000 1.241 326 Y HN -0.191 nan 8.280 nan 0.000 0.468 327 E N 3.138 123.601 120.200 0.438 0.000 2.130 327 E HA 0.363 4.713 4.350 -0.000 0.000 0.284 327 E C -1.275 175.547 176.600 0.370 0.000 1.018 327 E CA -0.226 56.366 56.400 0.319 0.000 0.817 327 E CB 0.432 30.314 29.700 0.304 0.000 1.078 327 E HN 0.575 nan 8.360 nan 0.000 0.396 328 L N 3.146 124.495 121.223 0.210 0.000 2.416 328 L HA 0.361 4.701 4.340 -0.000 0.000 0.262 328 L C 1.026 177.984 176.870 0.147 0.000 1.093 328 L CA -0.911 53.977 54.840 0.080 0.000 0.801 328 L CB 1.198 43.231 42.059 -0.043 0.000 1.191 328 L HN 0.611 nan 8.230 nan 0.000 0.459 329 T N -2.047 112.591 114.554 0.139 0.000 2.788 329 T HA 0.117 4.467 4.350 -0.000 0.000 0.280 329 T C 0.421 175.197 174.700 0.128 0.000 0.984 329 T CA -0.695 61.537 62.100 0.220 0.000 0.972 329 T CB 1.226 70.231 68.868 0.227 0.000 1.039 329 T HN 0.522 nan 8.240 nan 0.000 0.530 330 S N -0.175 115.602 115.700 0.128 0.000 2.546 330 S HA 0.404 4.874 4.470 -0.000 0.000 0.290 330 S C 1.617 176.264 174.600 0.078 0.000 1.290 330 S CA 0.733 58.983 58.200 0.083 0.000 1.069 330 S CB -1.054 62.196 63.200 0.084 0.000 0.846 330 S HN 1.921 nan 8.310 nan 0.000 0.495 331 G N 4.457 113.288 108.800 0.050 0.000 2.213 331 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.236 331 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.236 331 G C 0.362 175.269 174.900 0.012 0.000 0.991 331 G CA 0.343 45.466 45.100 0.039 0.000 0.629 331 G HN 1.220 nan 8.290 nan 0.000 0.517 332 N N -1.018 117.682 118.700 0.001 0.000 2.778 332 N HA -0.227 4.513 4.740 -0.000 0.000 0.249 332 N C 1.236 176.663 175.510 -0.139 0.000 1.069 332 N CA 1.339 54.355 53.050 -0.056 0.000 0.831 332 N CB -0.645 37.821 38.487 -0.035 0.000 1.142 332 N HN 0.525 nan 8.380 nan 0.000 0.573 333 Q N -0.975 118.745 119.800 -0.133 0.000 2.339 333 Q HA 0.156 4.495 4.340 -0.000 0.000 0.205 333 Q C 0.228 175.911 176.000 -0.528 0.000 0.925 333 Q CA 1.256 56.880 55.803 -0.299 0.000 0.898 333 Q CB 0.284 28.852 28.738 -0.283 0.000 1.013 333 Q HN 0.563 nan 8.270 nan 0.000 0.504 334 Y N -1.609 118.564 120.300 -0.212 0.000 2.805 334 Y HA 0.452 5.002 4.550 -0.000 0.000 0.321 334 Y C -0.377 175.235 175.900 -0.479 0.000 1.203 334 Y CA -1.318 56.639 58.100 -0.238 0.000 1.165 334 Y CB 0.909 39.355 38.460 -0.023 0.000 1.371 334 Y HN -0.243 nan 8.280 nan 0.000 0.564 335 F N -0.304 119.813 119.950 0.277 0.000 2.480 335 F HA 0.362 4.889 4.527 -0.000 0.000 0.329 335 F C -0.804 175.104 175.800 0.180 0.000 1.091 335 F CA -1.056 57.067 58.000 0.206 0.000 0.972 335 F CB 0.911 39.993 39.000 0.138 0.000 1.150 335 F HN 0.248 nan 8.300 nan 0.000 0.467 336 Y N 1.903 122.381 120.300 0.296 0.000 2.304 336 Y HA 0.393 4.943 4.550 -0.000 0.000 0.328 336 Y C -0.604 175.439 175.900 0.237 0.000 1.123 336 Y CA -0.217 58.015 58.100 0.219 0.000 1.218 336 Y CB 0.915 39.485 38.460 0.183 0.000 1.207 336 Y HN 0.609 nan 8.280 nan 0.000 0.495 337 D N 3.009 123.283 120.400 -0.210 0.000 2.964 337 D HA 0.305 4.945 4.640 -0.000 0.000 0.234 337 D C -1.236 175.032 176.300 -0.053 0.000 1.223 337 D CA -0.521 53.477 54.000 -0.002 0.000 0.889 337 D CB 1.130 41.936 40.800 0.010 0.000 1.609 337 D HN 0.602 nan 8.370 nan 0.000 0.523 338 N N 0.853 119.584 118.700 0.052 0.000 2.299 338 N HA 0.120 4.860 4.740 -0.000 0.000 0.246 338 N C 0.366 175.881 175.510 0.007 0.000 1.254 338 N CA 0.126 53.165 53.050 -0.018 0.000 0.879 338 N CB 1.214 39.627 38.487 -0.124 0.000 1.214 338 N HN 0.427 nan 8.380 nan 0.000 0.510 339 T N -4.608 109.966 114.554 0.032 0.000 2.955 339 T HA 0.314 4.663 4.350 -0.000 0.000 0.251 339 T C 1.589 176.266 174.700 -0.038 0.000 1.002 339 T CA 0.583 62.702 62.100 0.031 0.000 0.970 339 T CB 0.467 69.377 68.868 0.069 0.000 1.091 339 T HN 0.111 nan 8.240 nan 0.000 0.495 340 G N 1.546 110.316 108.800 -0.049 0.000 2.179 340 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 340 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 340 G C 0.779 175.614 174.900 -0.107 0.000 0.977 340 G CA 0.386 45.444 45.100 -0.069 0.000 0.641 340 G HN 0.492 nan 8.290 nan 0.000 0.533 341 I N 0.302 120.774 120.570 -0.164 0.000 3.030 341 I HA 0.293 4.463 4.170 -0.000 0.000 0.270 341 I C 2.254 178.305 176.117 -0.110 0.000 1.211 341 I CA 2.160 63.329 61.300 -0.218 0.000 1.479 341 I CB -0.503 37.172 38.000 -0.541 0.000 1.105 341 I HN 0.970 nan 8.210 nan 0.000 0.447 342 G N 0.449 109.214 108.800 -0.057 0.000 3.134 342 G HA2 0.092 4.052 3.960 -0.000 0.000 0.195 342 G HA3 0.092 4.052 3.960 -0.000 0.000 0.195 342 G C 0.226 175.135 174.900 0.016 0.000 1.054 342 G CA 0.065 45.154 45.100 -0.019 0.000 0.828 342 G HN 0.622 nan 8.290 nan 0.000 0.462 343 A N -0.245 122.594 122.820 0.032 0.000 2.540 343 A HA 0.683 5.003 4.320 -0.000 0.000 0.297 343 A C -1.286 176.471 177.584 0.288 0.000 1.056 343 A CA -0.501 51.623 52.037 0.145 0.000 0.700 343 A CB 1.010 19.911 19.000 -0.165 0.000 1.280 343 A HN 0.267 nan 8.150 nan 0.000 0.398 344 N N 0.773 119.696 118.700 0.372 0.000 2.520 344 N HA 0.406 5.145 4.740 -0.000 0.000 0.273 344 N C -0.701 175.086 175.510 0.462 0.000 1.155 344 N CA 0.056 53.345 53.050 0.398 0.000 0.967 344 N CB 0.490 39.214 38.487 0.395 0.000 1.092 344 N HN 0.569 nan 8.380 nan 0.000 0.457 345 F N 1.488 121.578 119.950 0.233 0.000 2.484 345 F HA 0.111 4.638 4.527 -0.000 0.000 0.360 345 F C 1.129 177.006 175.800 0.128 0.000 1.101 345 F CA -0.465 57.589 58.000 0.091 0.000 1.251 345 F CB 0.275 39.285 39.000 0.015 0.000 1.132 345 F HN 0.452 nan 8.300 nan 0.000 0.570 346 N N 3.496 122.004 118.700 -0.320 0.000 2.971 346 N HA -0.034 4.705 4.740 -0.000 0.000 0.294 346 N C 1.029 176.444 175.510 -0.157 0.000 1.210 346 N CA 0.282 53.239 53.050 -0.156 0.000 1.157 346 N CB 0.166 38.551 38.487 -0.170 0.000 1.450 346 N HN 0.821 nan 8.380 nan 0.000 0.527 347 T N -0.883 113.699 114.554 0.047 0.000 2.977 347 T HA -0.219 4.131 4.350 -0.000 0.000 0.271 347 T C 1.333 176.080 174.700 0.079 0.000 1.105 347 T CA 0.887 63.050 62.100 0.105 0.000 1.116 347 T CB -0.268 68.711 68.868 0.185 0.000 0.878 347 T HN 0.489 nan 8.240 nan 0.000 0.509 348 Y N 1.830 122.091 120.300 -0.066 0.000 2.510 348 Y HA 0.382 4.932 4.550 -0.000 0.000 0.273 348 Y C 0.894 176.736 175.900 -0.095 0.000 1.119 348 Y CA -1.113 56.936 58.100 -0.086 0.000 1.286 348 Y CB -0.150 38.252 38.460 -0.096 0.000 1.061 348 Y HN 0.298 nan 8.280 nan 0.000 0.542 349 N N -0.196 118.483 118.700 -0.034 0.000 2.497 349 N HA -0.018 4.722 4.740 -0.000 0.000 0.268 349 N C 0.992 176.405 175.510 -0.162 0.000 1.171 349 N CA 0.710 53.697 53.050 -0.106 0.000 0.948 349 N CB 1.085 39.494 38.487 -0.130 0.000 1.069 349 N HN 0.067 nan 8.380 nan 0.000 0.460 350 T N 2.206 116.655 114.554 -0.175 0.000 2.635 350 T HA -0.162 4.187 4.350 -0.000 0.000 0.267 350 T C 1.736 176.350 174.700 -0.144 0.000 1.040 350 T CA 1.573 63.573 62.100 -0.166 0.000 1.156 350 T CB -0.192 68.586 68.868 -0.149 0.000 0.863 350 T HN 0.373 nan 8.240 nan 0.000 0.430 351 V N 1.613 121.407 119.914 -0.199 0.000 2.427 351 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 351 V C 2.858 178.907 176.094 -0.076 0.000 1.051 351 V CA 1.536 63.683 62.300 -0.254 0.000 1.048 351 V CB -1.237 30.216 31.823 -0.617 0.000 0.666 351 V HN 0.542 nan 8.190 nan 0.000 0.456 352 A N -0.777 121.978 122.820 -0.109 0.000 1.898 352 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 352 A C 2.263 179.915 177.584 0.114 0.000 1.181 352 A CA 1.883 53.914 52.037 -0.010 0.000 0.620 352 A CB -0.502 18.267 19.000 -0.386 0.000 0.819 352 A HN 0.556 nan 8.150 nan 0.000 0.442 353 Q N -0.397 119.406 119.800 0.005 0.000 2.124 353 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 353 Q C 1.619 177.641 176.000 0.036 0.000 0.977 353 Q CA 1.563 57.373 55.803 0.013 0.000 0.850 353 Q CB -0.134 28.564 28.738 -0.066 0.000 0.901 353 Q HN 0.626 nan 8.270 nan 0.000 0.429 354 N N 0.704 119.435 118.700 0.051 0.000 2.223 354 N HA -0.166 4.574 4.740 -0.000 0.000 0.185 354 N C 1.675 177.308 175.510 0.205 0.000 1.016 354 N CA 0.755 53.864 53.050 0.098 0.000 0.863 354 N CB -0.265 38.273 38.487 0.084 0.000 0.983 354 N HN 0.296 nan 8.380 nan 0.000 0.429 355 L N 0.537 121.930 121.223 0.283 0.000 2.056 355 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 355 L C 1.890 178.796 176.870 0.060 0.000 1.078 355 L CA 0.953 55.990 54.840 0.328 0.000 0.749 355 L CB -0.141 42.236 42.059 0.531 0.000 0.901 355 L HN 0.079 nan 8.230 nan 0.000 0.433 356 I N -1.214 119.320 120.570 -0.060 0.000 2.142 356 I HA -0.300 3.869 4.170 -0.000 0.000 0.240 356 I C 2.428 178.358 176.117 -0.312 0.000 1.078 356 I CA 1.340 62.341 61.300 -0.499 0.000 1.343 356 I CB -0.438 37.257 38.000 -0.509 0.000 1.046 356 I HN 0.084 nan 8.210 nan 0.000 0.405 357 V N 1.010 120.891 119.914 -0.054 0.000 2.255 357 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 357 V C 2.136 178.361 176.094 0.218 0.000 1.051 357 V CA 2.182 64.564 62.300 0.137 0.000 1.018 357 V CB -0.710 31.164 31.823 0.086 0.000 0.641 357 V HN 0.403 nan 8.190 nan 0.000 0.445 358 D N 0.470 120.988 120.400 0.197 0.000 2.123 358 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 358 D C 2.429 178.865 176.300 0.227 0.000 0.992 358 D CA 1.883 56.072 54.000 0.315 0.000 0.833 358 D CB -0.376 40.730 40.800 0.510 0.000 0.954 358 D HN 0.614 nan 8.370 nan 0.000 0.455 359 S N 0.104 115.705 115.700 -0.165 0.000 2.387 359 S HA -0.041 4.429 4.470 -0.000 0.000 0.226 359 S C 2.262 176.918 174.600 0.093 0.000 1.026 359 S CA 0.349 58.230 58.200 -0.531 0.000 0.972 359 S CB -0.610 62.106 63.200 -0.807 0.000 0.814 359 S HN 0.210 nan 8.310 nan 0.000 0.477 360 L N 1.426 122.647 121.223 -0.004 0.000 2.046 360 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 360 L C 3.204 180.157 176.870 0.138 0.000 1.077 360 L CA 1.215 55.956 54.840 -0.165 0.000 0.747 360 L CB -0.882 40.862 42.059 -0.525 0.000 0.896 360 L HN 0.460 nan 8.230 nan 0.000 0.432 361 A N -0.641 122.399 122.820 0.367 0.000 1.908 361 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 361 A C 2.194 180.007 177.584 0.380 0.000 1.181 361 A CA 1.683 54.014 52.037 0.491 0.000 0.627 361 A CB -0.930 18.366 19.000 0.494 0.000 0.818 361 A HN 0.472 nan 8.150 nan 0.000 0.445 362 Y N -1.017 119.424 120.300 0.236 0.000 2.128 362 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 362 Y C 2.069 177.969 175.900 0.000 0.000 1.154 362 Y CA 1.934 60.108 58.100 0.123 0.000 1.149 362 Y CB -0.565 37.984 38.460 0.147 0.000 0.976 362 Y HN 0.450 nan 8.280 nan 0.000 0.505 363 W N -0.343 121.042 121.300 0.143 0.000 2.388 363 W HA -0.059 4.601 4.660 -0.000 0.000 0.294 363 W C 2.658 179.257 176.519 0.133 0.000 1.212 363 W CA 1.808 59.202 57.345 0.081 0.000 1.271 363 W CB -0.726 28.883 29.460 0.248 0.000 1.126 363 W HN 0.143 nan 8.180 nan 0.000 0.535 364 A N 0.074 123.158 122.820 0.440 0.000 1.898 364 A HA -0.125 4.194 4.320 -0.000 0.000 0.214 364 A C 1.651 179.346 177.584 0.185 0.000 1.183 364 A CA 1.790 54.016 52.037 0.316 0.000 0.622 364 A CB -0.764 18.437 19.000 0.334 0.000 0.824 364 A HN 0.422 nan 8.150 nan 0.000 0.444 365 N N -1.302 117.487 118.700 0.150 0.000 2.245 365 N HA -0.046 4.694 4.740 -0.000 0.000 0.185 365 N C 1.622 177.132 175.510 -0.001 0.000 1.036 365 N CA 1.417 54.523 53.050 0.095 0.000 0.857 365 N CB -0.122 38.444 38.487 0.133 0.000 1.015 365 N HN 0.313 nan 8.380 nan 0.000 0.436 366 T N 1.127 115.597 114.554 -0.140 0.000 2.812 366 T HA 0.050 4.400 4.350 -0.000 0.000 0.264 366 T C 1.611 176.155 174.700 -0.260 0.000 1.042 366 T CA 0.889 62.837 62.100 -0.254 0.000 1.140 366 T CB 0.038 68.602 68.868 -0.506 0.000 0.870 366 T HN 0.136 nan 8.240 nan 0.000 0.445 367 M N 0.366 119.769 119.600 -0.328 0.000 2.561 367 M HA 0.304 4.784 4.480 -0.000 0.000 0.238 367 M C 1.953 178.337 176.300 0.140 0.000 1.131 367 M CA 0.371 55.600 55.300 -0.118 0.000 1.046 367 M CB -1.166 31.278 32.600 -0.260 0.000 1.532 367 M HN 0.457 nan 8.290 nan 0.000 0.497 368 G N 0.998 109.867 108.800 0.116 0.000 2.155 368 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.257 368 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.257 368 G C 0.284 175.331 174.900 0.245 0.000 0.983 368 G CA 0.240 45.454 45.100 0.189 0.000 0.676 368 G HN 0.372 nan 8.290 nan 0.000 0.528 369 V N 1.038 121.093 119.914 0.235 0.000 2.673 369 V HA 0.118 4.238 4.120 -0.000 0.000 0.303 369 V C 1.334 177.445 176.094 0.029 0.000 1.046 369 V CA 0.868 63.255 62.300 0.145 0.000 1.126 369 V CB 1.175 33.080 31.823 0.137 0.000 0.934 369 V HN 0.369 nan 8.190 nan 0.000 0.487 370 D N 2.674 123.092 120.400 0.029 0.000 2.346 370 D HA 0.230 4.870 4.640 -0.000 0.000 0.206 370 D C 0.669 176.985 176.300 0.027 0.000 1.001 370 D CA 1.049 55.084 54.000 0.057 0.000 0.871 370 D CB 1.123 41.984 40.800 0.103 0.000 0.943 370 D HN 0.743 nan 8.370 nan 0.000 0.518 371 G N -0.142 108.557 108.800 -0.168 0.000 2.441 371 G HA2 0.465 4.424 3.960 -0.000 0.000 0.294 371 G HA3 0.465 4.424 3.960 -0.000 0.000 0.294 371 G C -1.971 172.482 174.900 -0.745 0.000 1.393 371 G CA -0.871 44.015 45.100 -0.357 0.000 0.796 371 G HN -0.016 nan 8.290 nan 0.000 0.494 372 F N -0.225 119.701 119.950 -0.039 0.000 2.591 372 F HA 0.706 5.233 4.527 -0.000 0.000 0.309 372 F C 0.074 175.922 175.800 0.080 0.000 1.098 372 F CA -0.993 56.966 58.000 -0.068 0.000 0.937 372 F CB 2.565 41.388 39.000 -0.295 0.000 1.250 372 F HN 0.395 nan 8.300 nan 0.000 0.447 373 R N 2.744 123.351 120.500 0.179 0.000 2.343 373 R HA 0.453 4.793 4.340 -0.000 0.000 0.320 373 R C -1.970 174.317 176.300 -0.021 0.000 0.956 373 R CA -0.478 55.718 56.100 0.161 0.000 0.836 373 R CB 0.613 30.901 30.300 -0.019 0.000 1.151 373 R HN 0.570 nan 8.270 nan 0.000 0.450 374 F N 2.769 122.728 119.950 0.015 0.000 2.404 374 F HA 0.155 4.682 4.527 -0.000 0.000 0.358 374 F C 0.849 176.548 175.800 -0.168 0.000 1.120 374 F CA -0.493 57.508 58.000 0.001 0.000 1.144 374 F CB 0.863 39.930 39.000 0.112 0.000 1.133 374 F HN 0.498 nan 8.300 nan 0.000 0.495 375 D N 3.600 124.002 120.400 0.003 0.000 2.424 375 D HA 0.152 4.792 4.640 -0.000 0.000 0.244 375 D C 0.411 176.710 176.300 -0.002 0.000 1.134 375 D CA 0.069 54.035 54.000 -0.057 0.000 0.881 375 D CB 0.571 41.416 40.800 0.076 0.000 1.191 375 D HN 0.576 nan 8.370 nan 0.000 0.445 376 L N 2.051 123.217 121.223 -0.095 0.000 3.965 376 L HA -0.316 4.024 4.340 -0.000 0.000 0.476 376 L C 1.436 178.336 176.870 0.050 0.000 1.201 376 L CA 0.163 54.986 54.840 -0.027 0.000 0.710 376 L CB -1.702 40.416 42.059 0.099 0.000 1.509 376 L HN 0.571 nan 8.230 nan 0.000 0.815 377 A N -0.461 122.343 122.820 -0.026 0.000 2.024 377 A HA -0.183 4.136 4.320 -0.000 0.000 0.220 377 A C 2.208 179.974 177.584 0.303 0.000 1.164 377 A CA 2.101 54.193 52.037 0.092 0.000 0.643 377 A CB -0.192 18.730 19.000 -0.130 0.000 0.806 377 A HN 0.642 nan 8.150 nan 0.000 0.451 378 S N -0.461 115.449 115.700 0.350 0.000 2.440 378 S HA -0.117 4.353 4.470 -0.000 0.000 0.238 378 S C 1.667 176.563 174.600 0.494 0.000 1.010 378 S CA 1.303 59.795 58.200 0.486 0.000 0.972 378 S CB -0.344 63.060 63.200 0.341 0.000 0.774 378 S HN 0.411 nan 8.310 nan 0.000 0.501 379 V N 1.734 121.860 119.914 0.354 0.000 2.809 379 V HA -0.024 4.096 4.120 -0.000 0.000 0.256 379 V C 1.771 178.037 176.094 0.287 0.000 1.080 379 V CA 1.032 63.563 62.300 0.385 0.000 1.102 379 V CB -0.579 31.424 31.823 0.302 0.000 0.705 379 V HN 0.490 nan 8.190 nan 0.000 0.475 380 L N 0.476 121.814 121.223 0.191 0.000 2.610 380 L HA 0.133 4.473 4.340 -0.000 0.000 0.232 380 L C 1.947 178.772 176.870 -0.075 0.000 1.149 380 L CA 1.364 56.245 54.840 0.067 0.000 0.872 380 L CB -0.869 41.185 42.059 -0.009 0.000 0.992 380 L HN 0.499 nan 8.230 nan 0.000 0.447 381 G N -0.832 107.906 108.800 -0.105 0.000 3.324 381 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.251 381 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.251 381 G C 0.441 175.074 174.900 -0.445 0.000 1.072 381 G CA -0.286 44.516 45.100 -0.497 0.000 0.787 381 G HN 0.174 nan 8.290 nan 0.000 0.537 382 N N 1.401 119.999 118.700 -0.171 0.000 2.475 382 N HA 0.112 4.852 4.740 -0.000 0.000 0.267 382 N C 1.355 176.651 175.510 -0.356 0.000 1.169 382 N CA 0.260 53.129 53.050 -0.301 0.000 0.947 382 N CB 1.255 39.720 38.487 -0.036 0.000 1.061 382 N HN 0.051 nan 8.380 nan 0.000 0.466 383 S N 0.674 116.046 115.700 -0.546 0.000 2.557 383 S HA 0.216 4.686 4.470 -0.000 0.000 0.223 383 S C 0.423 174.426 174.600 -0.996 0.000 0.969 383 S CA -0.664 57.018 58.200 -0.862 0.000 0.927 383 S CB -0.534 62.329 63.200 -0.562 0.000 0.806 383 S HN 0.450 nan 8.310 nan 0.000 0.489 384 c N 0.792 119.019 118.600 -0.622 0.000 2.351 384 c HA 0.575 5.145 4.570 -0.000 0.000 0.359 384 c C 1.436 175.343 174.090 -0.306 0.000 1.193 384 c CA -0.724 55.342 56.329 -0.438 0.000 2.270 384 c CB 0.636 42.955 42.510 -0.319 0.000 2.369 384 c HN 0.535 nan 8.230 nan 0.000 0.553 385 L N 1.047 122.146 121.223 -0.206 0.000 2.781 385 L HA 0.266 4.606 4.340 -0.000 0.000 0.245 385 L C 0.206 177.044 176.870 -0.053 0.000 1.118 385 L CA 0.566 55.365 54.840 -0.068 0.000 0.918 385 L CB -0.016 42.028 42.059 -0.026 0.000 1.246 385 L HN 0.807 nan 8.230 nan 0.000 0.526 386 N N -2.280 116.356 118.700 -0.106 0.000 2.927 386 N HA 0.267 5.007 4.740 -0.000 0.000 0.248 386 N C 0.559 175.980 175.510 -0.148 0.000 1.443 386 N CA 0.181 53.189 53.050 -0.070 0.000 0.870 386 N CB 1.149 39.606 38.487 -0.050 0.000 1.444 386 N HN -0.136 nan 8.380 nan 0.000 0.519 387 G N -0.505 108.247 108.800 -0.080 0.000 2.448 387 G HA2 0.193 4.152 3.960 -0.000 0.000 0.219 387 G HA3 0.193 4.152 3.960 -0.000 0.000 0.219 387 G C 0.313 175.181 174.900 -0.054 0.000 1.127 387 G CA 1.105 46.142 45.100 -0.104 0.000 0.766 387 G HN 0.685 nan 8.290 nan 0.000 0.552 388 A N -1.075 121.734 122.820 -0.018 0.000 2.294 388 A HA 0.622 4.942 4.320 -0.000 0.000 0.330 388 A C -0.683 176.904 177.584 0.005 0.000 1.133 388 A CA -0.907 51.143 52.037 0.021 0.000 0.836 388 A CB 0.792 19.817 19.000 0.041 0.000 1.190 388 A HN 0.294 nan 8.150 nan 0.000 0.492 389 Y N 0.823 121.094 120.300 -0.049 0.000 2.480 389 Y HA 0.433 4.983 4.550 -0.000 0.000 0.338 389 Y C 0.559 176.435 175.900 -0.041 0.000 1.220 389 Y CA 1.557 59.623 58.100 -0.056 0.000 1.430 389 Y CB 0.663 39.096 38.460 -0.045 0.000 1.311 389 Y HN 0.766 nan 8.280 nan 0.000 0.575 390 T N 4.400 118.304 114.554 -1.083 0.000 2.993 390 T HA 0.540 4.890 4.350 -0.000 0.000 0.312 390 T C 0.348 174.450 174.700 -0.997 0.000 1.115 390 T CA -0.177 61.463 62.100 -0.765 0.000 1.027 390 T CB 0.961 69.634 68.868 -0.326 0.000 1.116 390 T HN 0.913 nan 8.240 nan 0.000 0.464 391 A N 2.674 125.154 122.820 -0.566 0.000 2.070 391 A HA 0.077 4.397 4.320 -0.000 0.000 0.220 391 A C 2.274 179.762 177.584 -0.160 0.000 1.159 391 A CA 2.034 53.922 52.037 -0.249 0.000 0.656 391 A CB -0.778 18.207 19.000 -0.024 0.000 0.800 391 A HN 0.836 nan 8.150 nan 0.000 0.453 392 S N -0.673 114.933 115.700 -0.158 0.000 2.474 392 S HA 0.193 4.663 4.470 -0.000 0.000 0.235 392 S C 1.043 175.633 174.600 -0.016 0.000 0.997 392 S CA 0.804 58.967 58.200 -0.062 0.000 0.949 392 S CB -0.107 63.067 63.200 -0.044 0.000 0.766 392 S HN 0.788 nan 8.310 nan 0.000 0.517 393 A N 1.463 124.196 122.820 -0.146 0.000 3.204 393 A HA 0.578 4.898 4.320 -0.000 0.000 0.327 393 A C -1.976 175.489 177.584 -0.199 0.000 0.998 393 A CA -1.328 50.599 52.037 -0.183 0.000 0.891 393 A CB 0.394 19.201 19.000 -0.322 0.000 1.061 393 A HN 0.082 nan 8.150 nan 0.000 0.478 394 P HA -0.170 nan 4.420 nan 0.000 0.216 394 P C 0.951 178.285 177.300 0.057 0.000 1.153 394 P CA 1.217 64.343 63.100 0.042 0.000 0.858 394 P CB 0.144 31.868 31.700 0.040 0.000 0.789 395 N N -1.566 117.113 118.700 -0.035 0.000 2.521 395 N HA -0.033 4.706 4.740 -0.000 0.000 0.188 395 N C 0.037 175.488 175.510 -0.099 0.000 1.146 395 N CA 0.461 53.473 53.050 -0.065 0.000 0.893 395 N CB -0.269 38.160 38.487 -0.098 0.000 0.975 395 N HN 0.172 nan 8.380 nan 0.000 0.451 396 c N 2.807 121.355 118.600 -0.087 0.000 3.169 396 c HA 0.340 4.910 4.570 -0.000 0.000 0.232 396 c C -1.162 172.990 174.090 0.103 0.000 1.316 396 c CA -1.915 54.358 56.329 -0.093 0.000 1.545 396 c CB 0.063 42.433 42.510 -0.233 0.000 1.785 396 c HN 0.175 nan 8.230 nan 0.000 0.454 397 P HA -0.092 nan 4.420 nan 0.000 0.218 397 P C 0.803 178.152 177.300 0.082 0.000 1.149 397 P CA 1.572 64.749 63.100 0.128 0.000 0.817 397 P CB 0.165 31.843 31.700 -0.037 0.000 0.785 398 N N -0.509 118.219 118.700 0.047 0.000 2.299 398 N HA 0.123 4.863 4.740 -0.000 0.000 0.187 398 N C 1.208 176.738 175.510 0.034 0.000 1.099 398 N CA 0.989 54.056 53.050 0.029 0.000 0.867 398 N CB 0.250 38.745 38.487 0.014 0.000 0.974 398 N HN 0.196 nan 8.380 nan 0.000 0.477 399 G N -0.150 108.663 108.800 0.022 0.000 2.860 399 G HA2 0.096 4.056 3.960 -0.000 0.000 0.553 399 G HA3 0.096 4.056 3.960 -0.000 0.000 0.553 399 G C 0.520 175.307 174.900 -0.189 0.000 1.439 399 G CA -0.156 44.901 45.100 -0.073 0.000 0.879 399 G HN 0.708 nan 8.290 nan 0.000 0.545 400 G N -0.547 108.002 108.800 -0.418 0.000 2.866 400 G HA2 0.161 4.121 3.960 -0.000 0.000 0.274 400 G HA3 0.161 4.121 3.960 -0.000 0.000 0.274 400 G C 0.255 174.820 174.900 -0.557 0.000 1.413 400 G CA 1.175 45.709 45.100 -0.944 0.000 0.997 400 G HN 2.437 nan 8.290 nan 0.000 0.559 401 Y N 2.403 122.558 120.300 -0.243 0.000 2.425 401 Y HA 0.699 5.249 4.550 -0.000 0.000 0.344 401 Y C -0.590 175.313 175.900 0.005 0.000 0.969 401 Y CA -0.695 57.394 58.100 -0.018 0.000 1.052 401 Y CB 2.196 40.774 38.460 0.196 0.000 1.215 401 Y HN 0.846 nan 8.280 nan 0.000 0.451 402 N N 5.622 123.806 118.700 -0.860 0.000 2.655 402 N HA 0.137 4.877 4.740 -0.000 0.000 0.277 402 N C -2.128 173.004 175.510 -0.630 0.000 1.177 402 N CA -0.493 52.235 53.050 -0.537 0.000 0.882 402 N CB 0.416 38.741 38.487 -0.270 0.000 1.481 402 N HN 0.529 nan 8.380 nan 0.000 0.547 403 F N 2.738 122.311 119.950 -0.628 0.000 2.495 403 F HA 0.384 4.911 4.527 -0.000 0.000 0.365 403 F C -0.115 175.537 175.800 -0.246 0.000 1.090 403 F CA 0.323 58.108 58.000 -0.359 0.000 1.235 403 F CB 0.689 39.644 39.000 -0.075 0.000 1.119 403 F HN 0.406 nan 8.300 nan 0.000 0.562 404 D N 4.996 124.988 120.400 -0.681 0.000 2.328 404 D HA 0.275 4.915 4.640 -0.000 0.000 0.243 404 D C 0.189 176.135 176.300 -0.589 0.000 1.324 404 D CA -0.125 53.614 54.000 -0.435 0.000 0.966 404 D CB 1.258 41.893 40.800 -0.275 0.000 1.324 404 D HN 0.631 nan 8.370 nan 0.000 0.549 405 A N 2.318 124.782 122.820 -0.594 0.000 2.209 405 A HA 0.264 4.584 4.320 -0.000 0.000 0.212 405 A C 1.783 179.240 177.584 -0.212 0.000 1.158 405 A CA 1.277 53.038 52.037 -0.458 0.000 0.742 405 A CB 0.001 18.848 19.000 -0.255 0.000 0.790 405 A HN 0.503 nan 8.150 nan 0.000 0.472 406 A N -0.792 121.934 122.820 -0.156 0.000 2.147 406 A HA 0.119 4.439 4.320 -0.000 0.000 0.211 406 A C 0.863 178.398 177.584 -0.081 0.000 1.160 406 A CA 0.358 52.344 52.037 -0.085 0.000 0.781 406 A CB -0.076 18.891 19.000 -0.054 0.000 0.842 406 A HN 0.366 nan 8.150 nan 0.000 0.475 407 D N 0.703 121.037 120.400 -0.110 0.000 2.358 407 D HA 0.129 4.769 4.640 -0.000 0.000 0.258 407 D C 1.368 177.636 176.300 -0.054 0.000 1.223 407 D CA 0.721 54.684 54.000 -0.061 0.000 0.886 407 D CB 1.057 41.829 40.800 -0.046 0.000 1.120 407 D HN 0.252 nan 8.370 nan 0.000 0.482 408 S N 3.216 118.894 115.700 -0.037 0.000 2.547 408 S HA -0.094 4.376 4.470 -0.000 0.000 0.235 408 S C 1.015 175.576 174.600 -0.064 0.000 0.980 408 S CA 0.281 58.454 58.200 -0.045 0.000 0.941 408 S CB 0.018 63.196 63.200 -0.036 0.000 0.763 408 S HN 0.432 nan 8.310 nan 0.000 0.532 409 N N 1.776 120.437 118.700 -0.065 0.000 2.280 409 N HA 0.153 4.893 4.740 -0.000 0.000 0.192 409 N C 0.467 175.856 175.510 -0.202 0.000 1.109 409 N CA 0.348 53.285 53.050 -0.188 0.000 0.855 409 N CB 0.807 39.093 38.487 -0.336 0.000 0.974 409 N HN 0.588 nan 8.380 nan 0.000 0.482 410 V N -1.685 118.218 119.914 -0.018 0.000 2.881 410 V HA 0.454 4.574 4.120 -0.000 0.000 0.303 410 V C 1.662 177.713 176.094 -0.072 0.000 1.070 410 V CA -0.558 61.752 62.300 0.017 0.000 1.074 410 V CB 0.976 32.732 31.823 -0.111 0.000 1.012 410 V HN 0.040 nan 8.190 nan 0.000 0.482 411 A N 3.795 126.584 122.820 -0.051 0.000 1.917 411 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 411 A C 1.833 179.393 177.584 -0.041 0.000 1.182 411 A CA 2.369 54.378 52.037 -0.048 0.000 0.633 411 A CB -0.990 17.999 19.000 -0.018 0.000 0.819 411 A HN 1.345 nan 8.150 nan 0.000 0.448 412 I N -3.261 117.240 120.570 -0.115 0.000 2.567 412 I HA -0.173 3.997 4.170 -0.000 0.000 0.257 412 I C 1.600 177.809 176.117 0.153 0.000 1.184 412 I CA 1.917 63.179 61.300 -0.064 0.000 1.451 412 I CB -0.464 37.243 38.000 -0.489 0.000 1.089 412 I HN 0.112 nan 8.210 nan 0.000 0.441 413 N N 1.390 120.105 118.700 0.025 0.000 2.402 413 N HA -0.066 4.674 4.740 -0.000 0.000 0.174 413 N C 1.920 177.460 175.510 0.049 0.000 1.027 413 N CA 0.721 53.805 53.050 0.056 0.000 0.891 413 N CB -0.214 38.263 38.487 -0.018 0.000 1.016 413 N HN 0.345 nan 8.380 nan 0.000 0.439 414 R N 1.726 122.234 120.500 0.014 0.000 2.073 414 R HA 0.081 4.421 4.340 -0.000 0.000 0.234 414 R C 2.018 178.347 176.300 0.048 0.000 1.134 414 R CA 1.117 57.214 56.100 -0.005 0.000 0.952 414 R CB -0.757 29.521 30.300 -0.037 0.000 0.850 414 R HN 0.147 nan 8.270 nan 0.000 0.433 415 I N 0.390 121.036 120.570 0.126 0.000 2.208 415 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 415 I C 2.085 178.346 176.117 0.240 0.000 1.097 415 I CA 1.358 62.809 61.300 0.253 0.000 1.363 415 I CB -0.301 37.847 38.000 0.247 0.000 1.051 415 I HN 0.198 nan 8.210 nan 0.000 0.413 416 L N 0.584 121.900 121.223 0.154 0.000 2.201 416 L HA -0.154 4.185 4.340 -0.000 0.000 0.212 416 L C 2.613 179.516 176.870 0.055 0.000 1.105 416 L CA 1.153 56.046 54.840 0.088 0.000 0.775 416 L CB -0.467 41.654 42.059 0.104 0.000 0.913 416 L HN 0.382 nan 8.230 nan 0.000 0.440 417 R N -1.199 119.317 120.500 0.026 0.000 2.300 417 R HA 0.040 4.380 4.340 -0.000 0.000 0.199 417 R C 1.311 177.559 176.300 -0.087 0.000 0.920 417 R CA 0.226 56.313 56.100 -0.021 0.000 1.046 417 R CB 0.013 30.298 30.300 -0.026 0.000 0.984 417 R HN 0.217 nan 8.270 nan 0.000 0.493 418 E N 0.502 120.605 120.200 -0.161 0.000 2.340 418 E HA 0.143 4.493 4.350 -0.000 0.000 0.194 418 E C -0.398 175.832 176.600 -0.618 0.000 0.996 418 E CA 0.468 56.605 56.400 -0.439 0.000 0.869 418 E CB 0.267 29.560 29.700 -0.679 0.000 0.835 418 E HN 0.179 nan 8.360 nan 0.000 0.493 419 F N 0.100 120.051 119.950 0.002 0.000 2.579 419 F HA 0.334 4.861 4.527 -0.000 0.000 0.324 419 F C 0.423 176.217 175.800 -0.010 0.000 1.058 419 F CA -0.913 57.092 58.000 0.008 0.000 0.944 419 F CB 1.517 40.528 39.000 0.019 0.000 1.245 419 F HN -0.456 nan 8.300 nan 0.000 0.477 420 T N 2.808 117.489 114.554 0.213 0.000 2.744 420 T HA 0.480 4.830 4.350 -0.000 0.000 0.291 420 T C -0.330 174.411 174.700 0.068 0.000 0.957 420 T CA -0.627 61.533 62.100 0.101 0.000 1.002 420 T CB 0.598 69.512 68.868 0.077 0.000 0.919 420 T HN 0.501 nan 8.240 nan 0.000 0.468 421 V N 2.466 122.389 119.914 0.016 0.000 2.607 421 V HA 0.525 4.645 4.120 -0.000 0.000 0.289 421 V C 0.623 176.706 176.094 -0.018 0.000 1.053 421 V CA -1.284 60.992 62.300 -0.039 0.000 0.996 421 V CB 0.647 32.416 31.823 -0.091 0.000 0.995 421 V HN 0.826 nan 8.190 nan 0.000 0.476 422 R N 4.046 124.525 120.500 -0.035 0.000 2.570 422 R HA 0.270 4.610 4.340 -0.000 0.000 0.277 422 R C -2.274 174.013 176.300 -0.022 0.000 1.039 422 R CA -0.962 55.117 56.100 -0.035 0.000 1.065 422 R CB 0.317 30.582 30.300 -0.059 0.000 0.964 422 R HN 0.664 nan 8.270 nan 0.000 0.428 423 P HA 0.038 nan 4.420 nan 0.000 0.272 423 P C -0.338 176.919 177.300 -0.072 0.000 1.240 423 P CA -0.016 63.078 63.100 -0.009 0.000 0.791 423 P CB 0.744 32.433 31.700 -0.018 0.000 0.978 424 A N 1.547 124.357 122.820 -0.017 0.000 1.972 424 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 424 A C 1.964 179.356 177.584 -0.320 0.000 1.169 424 A CA 2.061 53.990 52.037 -0.180 0.000 0.635 424 A CB -1.561 17.548 19.000 0.181 0.000 0.810 424 A HN 0.550 nan 8.150 nan 0.000 0.446 425 A N -1.796 120.926 122.820 -0.164 0.000 2.218 425 A HA 0.482 4.802 4.320 -0.000 0.000 0.209 425 A C 1.366 178.856 177.584 -0.156 0.000 1.168 425 A CA 1.315 53.260 52.037 -0.153 0.000 0.804 425 A CB -0.793 18.157 19.000 -0.083 0.000 0.834 425 A HN 2.071 nan 8.150 nan 0.000 0.482 426 G N -2.893 105.810 108.800 -0.162 0.000 2.483 426 G HA2 0.510 4.470 3.960 -0.000 0.000 0.521 426 G HA3 0.510 4.470 3.960 -0.000 0.000 0.521 426 G C 0.454 175.303 174.900 -0.086 0.000 1.278 426 G CA -0.083 44.937 45.100 -0.133 0.000 0.965 426 G HN 2.415 nan 8.290 nan 0.000 0.504 427 G N -1.963 106.794 108.800 -0.072 0.000 2.422 427 G HA2 0.530 4.490 3.960 -0.000 0.000 0.607 427 G HA3 0.530 4.490 3.960 -0.000 0.000 0.607 427 G C 0.250 175.124 174.900 -0.045 0.000 1.270 427 G CA 0.702 45.772 45.100 -0.051 0.000 0.992 427 G HN 2.655 nan 8.290 nan 0.000 0.499 428 S N -0.566 115.117 115.700 -0.029 0.000 2.617 428 S HA 0.924 5.394 4.470 -0.000 0.000 0.269 428 S C 0.731 175.327 174.600 -0.006 0.000 1.292 428 S CA 0.935 59.124 58.200 -0.019 0.000 1.010 428 S CB 1.587 64.783 63.200 -0.007 0.000 0.944 428 S HN 2.791 nan 8.310 nan 0.000 0.536 429 G N 0.208 109.011 108.800 0.005 0.000 2.359 429 G HA2 0.271 4.230 3.960 -0.000 0.000 0.314 429 G HA3 0.271 4.230 3.960 -0.000 0.000 0.314 429 G C -1.585 173.318 174.900 0.005 0.000 1.364 429 G CA -1.023 44.087 45.100 0.017 0.000 0.978 429 G HN 0.823 nan 8.290 nan 0.000 0.615 430 L N 0.263 121.482 121.223 -0.006 0.000 2.375 430 L HA 0.544 4.884 4.340 -0.000 0.000 0.268 430 L C -0.653 176.136 176.870 -0.135 0.000 1.058 430 L CA -1.008 53.804 54.840 -0.046 0.000 0.803 430 L CB 1.568 43.607 42.059 -0.032 0.000 1.212 430 L HN 0.412 nan 8.230 nan 0.000 0.451 431 D N 3.098 123.371 120.400 -0.211 0.000 2.381 431 D HA 0.476 5.116 4.640 -0.000 0.000 0.235 431 D C -0.612 175.214 176.300 -0.790 0.000 1.068 431 D CA -0.118 53.597 54.000 -0.476 0.000 0.832 431 D CB 1.930 42.504 40.800 -0.377 0.000 1.101 431 D HN 0.197 nan 8.370 nan 0.000 0.515 432 L N 2.549 123.270 121.223 -0.837 0.000 2.307 432 L HA 0.531 4.871 4.340 -0.000 0.000 0.284 432 L C -0.669 175.785 176.870 -0.694 0.000 1.023 432 L CA -0.837 53.591 54.840 -0.686 0.000 0.810 432 L CB 0.784 42.270 42.059 -0.956 0.000 1.231 432 L HN 0.155 nan 8.230 nan 0.000 0.423 433 F N 1.460 121.505 119.950 0.158 0.000 2.540 433 F HA 0.759 5.286 4.527 -0.000 0.000 0.317 433 F C 0.204 176.142 175.800 0.231 0.000 1.104 433 F CA -0.727 57.375 58.000 0.169 0.000 0.913 433 F CB 1.958 40.998 39.000 0.066 0.000 1.170 433 F HN 0.409 nan 8.300 nan 0.000 0.450 434 A N 1.620 124.547 122.820 0.178 0.000 2.350 434 A HA 0.621 4.941 4.320 -0.000 0.000 0.324 434 A C -0.868 176.383 177.584 -0.556 0.000 1.118 434 A CA -0.689 51.180 52.037 -0.280 0.000 0.783 434 A CB 1.292 19.726 19.000 -0.943 0.000 1.236 434 A HN 0.807 nan 8.150 nan 0.000 0.457 435 E N 3.714 123.476 120.200 -0.730 0.000 2.028 435 E HA 0.266 4.615 4.350 -0.000 0.000 0.266 435 E C -2.056 173.925 176.600 -1.032 0.000 0.962 435 E CA -1.998 53.780 56.400 -1.037 0.000 0.784 435 E CB 0.771 29.847 29.700 -1.040 0.000 1.114 435 E HN 0.379 nan 8.360 nan 0.000 0.414 436 P HA 0.005 nan 4.420 nan 0.000 0.277 436 P C -1.438 175.780 177.300 -0.136 0.000 1.617 436 P CA 0.206 62.992 63.100 -0.523 0.000 0.829 436 P CB -0.934 30.543 31.700 -0.371 0.000 1.774 437 W N -1.797 119.483 121.300 -0.034 0.000 3.025 437 W HA 0.754 5.414 4.660 -0.000 0.000 0.343 437 W C -1.432 175.121 176.519 0.056 0.000 1.246 437 W CA -0.968 56.384 57.345 0.012 0.000 1.178 437 W CB 0.277 29.793 29.460 0.094 0.000 1.463 437 W HN -0.006 nan 8.180 nan 0.000 0.578 438 A N 0.391 123.420 122.820 0.350 0.000 4.431 438 A HA 0.859 5.179 4.320 -0.000 0.000 0.247 438 A C -1.859 175.808 177.584 0.138 0.000 0.974 438 A CA -0.969 51.181 52.037 0.188 0.000 0.633 438 A CB 0.822 19.845 19.000 0.038 0.000 1.698 438 A HN 0.734 nan 8.150 nan 0.000 0.843 439 I N 0.572 121.149 120.570 0.012 0.000 2.439 439 I HA 0.569 4.739 4.170 -0.000 0.000 0.285 439 I C 0.511 176.590 176.117 -0.064 0.000 1.021 439 I CA 0.238 61.535 61.300 -0.005 0.000 1.091 439 I CB 1.248 39.246 38.000 -0.002 0.000 1.242 439 I HN 1.480 nan 8.210 nan 0.000 0.439 440 G N 3.717 112.500 108.800 -0.027 0.000 2.756 440 G HA2 0.277 4.237 3.960 -0.000 0.000 0.678 440 G HA3 0.277 4.237 3.960 -0.000 0.000 0.678 440 G C 0.183 175.089 174.900 0.010 0.000 1.349 440 G CA -0.279 44.817 45.100 -0.008 0.000 0.847 440 G HN 1.434 nan 8.290 nan 0.000 0.548 441 G N 0.084 108.950 108.800 0.111 0.000 2.578 441 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.284 441 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.284 441 G C 0.761 175.799 174.900 0.230 0.000 1.283 441 G CA 1.002 46.244 45.100 0.236 0.000 0.944 441 G HN 2.592 nan 8.290 nan 0.000 0.558 442 N N 0.669 119.576 118.700 0.345 0.000 2.466 442 N HA 0.191 4.931 4.740 -0.000 0.000 0.251 442 N C 1.658 177.348 175.510 0.301 0.000 1.164 442 N CA 1.054 54.261 53.050 0.262 0.000 0.888 442 N CB 0.220 38.830 38.487 0.205 0.000 1.177 442 N HN 1.006 nan 8.380 nan 0.000 0.498 443 S N -1.116 114.748 115.700 0.274 0.000 2.428 443 S HA -0.121 4.349 4.470 -0.000 0.000 0.230 443 S C 0.620 175.298 174.600 0.131 0.000 1.014 443 S CA -0.160 58.148 58.200 0.180 0.000 0.957 443 S CB -0.786 62.356 63.200 -0.095 0.000 0.784 443 S HN 0.444 nan 8.310 nan 0.000 0.499 444 Y N 3.260 123.599 120.300 0.065 0.000 2.697 444 Y HA 0.249 4.798 4.550 -0.000 0.000 0.349 444 Y C 0.515 176.428 175.900 0.021 0.000 1.120 444 Y CA -0.124 58.039 58.100 0.104 0.000 1.468 444 Y CB 0.125 38.622 38.460 0.062 0.000 1.182 444 Y HN 0.213 nan 8.280 nan 0.000 0.525 445 Q N 6.699 126.282 119.800 -0.363 0.000 2.233 445 Q HA 0.120 4.460 4.340 -0.000 0.000 0.340 445 Q C -0.891 174.969 176.000 -0.233 0.000 0.899 445 Q CA -0.670 54.920 55.803 -0.355 0.000 1.139 445 Q CB 0.583 28.923 28.738 -0.663 0.000 1.273 445 Q HN 0.683 nan 8.270 nan 0.000 0.431 446 L N 0.857 121.818 121.223 -0.436 0.000 2.597 446 L HA 0.256 4.595 4.340 -0.000 0.000 0.271 446 L C 1.077 177.891 176.870 -0.094 0.000 1.157 446 L CA 1.823 56.568 54.840 -0.159 0.000 0.928 446 L CB -0.000 42.009 42.059 -0.084 0.000 1.216 446 L HN 0.597 nan 8.230 nan 0.000 0.481 447 G N 2.918 111.696 108.800 -0.037 0.000 2.176 447 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.232 447 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.232 447 G C 0.729 175.652 174.900 0.038 0.000 0.986 447 G CA 0.145 45.168 45.100 -0.127 0.000 0.643 447 G HN 1.222 nan 8.290 nan 0.000 0.522 448 G N -0.625 108.242 108.800 0.112 0.000 3.126 448 G HA2 0.472 4.432 3.960 -0.000 0.000 0.224 448 G HA3 0.472 4.432 3.960 -0.000 0.000 0.224 448 G C 0.369 175.397 174.900 0.212 0.000 1.142 448 G CA -0.259 44.902 45.100 0.102 0.000 0.759 448 G HN 0.303 nan 8.290 nan 0.000 0.550 449 F N 1.250 121.257 119.950 0.095 0.000 2.382 449 F HA 0.410 4.937 4.527 -0.000 0.000 0.331 449 F C -1.643 174.246 175.800 0.148 0.000 1.121 449 F CA -2.491 55.565 58.000 0.093 0.000 1.183 449 F CB 1.012 39.998 39.000 -0.023 0.000 1.207 449 F HN -0.120 nan 8.300 nan 0.000 0.555 450 P HA 0.046 nan 4.420 nan 0.000 0.273 450 P C -1.017 176.491 177.300 0.347 0.000 1.250 450 P CA -0.447 62.807 63.100 0.257 0.000 0.793 450 P CB 0.363 32.196 31.700 0.221 0.000 1.011 451 Q N 0.123 120.060 119.800 0.228 0.000 2.361 451 Q HA 0.299 4.639 4.340 -0.000 0.000 0.276 451 Q C 1.118 177.217 176.000 0.165 0.000 1.022 451 Q CA 1.209 57.115 55.803 0.171 0.000 0.898 451 Q CB -0.100 28.705 28.738 0.112 0.000 1.246 451 Q HN 0.869 nan 8.270 nan 0.000 0.410 452 G N 1.784 110.632 108.800 0.081 0.000 2.218 452 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 452 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 452 G C -0.786 173.989 174.900 -0.209 0.000 0.994 452 G CA -0.616 44.450 45.100 -0.056 0.000 0.637 452 G HN 0.590 nan 8.290 nan 0.000 0.505 453 W N 1.803 123.118 121.300 0.026 0.000 2.532 453 W HA 0.750 5.409 4.660 -0.000 0.000 0.321 453 W C 0.334 176.835 176.519 -0.030 0.000 1.037 453 W CA -0.525 56.829 57.345 0.014 0.000 1.220 453 W CB 1.927 31.478 29.460 0.151 0.000 1.361 453 W HN 0.129 nan 8.180 nan 0.000 0.468 454 S N 1.997 117.783 115.700 0.143 0.000 2.687 454 S HA 0.577 5.047 4.470 -0.000 0.000 0.283 454 S C -0.563 174.149 174.600 0.186 0.000 1.170 454 S CA -0.861 57.385 58.200 0.078 0.000 1.008 454 S CB 1.392 64.677 63.200 0.141 0.000 1.026 454 S HN 0.433 nan 8.310 nan 0.000 0.541 455 E N -0.141 120.146 120.200 0.145 0.000 2.340 455 E HA 0.232 4.582 4.350 -0.000 0.000 0.273 455 E C -1.567 175.264 176.600 0.384 0.000 0.891 455 E CA -0.690 55.827 56.400 0.194 0.000 0.757 455 E CB 1.048 30.880 29.700 0.221 0.000 1.231 455 E HN 0.463 nan 8.360 nan 0.000 0.439 456 W N 2.436 123.766 121.300 0.049 0.000 2.446 456 W HA 0.127 4.787 4.660 -0.000 0.000 0.316 456 W C 0.518 177.291 176.519 0.423 0.000 1.376 456 W CA -0.531 56.960 57.345 0.243 0.000 1.300 456 W CB -0.101 29.405 29.460 0.076 0.000 1.351 456 W HN 0.311 nan 8.180 nan 0.000 0.530 457 N N 2.612 121.638 118.700 0.542 0.000 2.605 457 N HA 0.066 4.806 4.740 -0.000 0.000 0.258 457 N C 1.294 176.961 175.510 0.262 0.000 1.156 457 N CA 0.301 53.592 53.050 0.402 0.000 1.008 457 N CB 0.630 39.292 38.487 0.292 0.000 1.354 457 N HN 0.585 nan 8.380 nan 0.000 0.509 458 G N 2.404 111.497 108.800 0.488 0.000 2.443 458 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.219 458 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.219 458 G C 1.299 176.285 174.900 0.143 0.000 1.131 458 G CA 0.273 45.576 45.100 0.337 0.000 0.775 458 G HN 0.528 nan 8.290 nan 0.000 0.547 459 L N -0.402 120.925 121.223 0.173 0.000 2.156 459 L HA 0.224 4.564 4.340 -0.000 0.000 0.208 459 L C 2.321 179.215 176.870 0.040 0.000 1.095 459 L CA 1.200 56.090 54.840 0.082 0.000 0.770 459 L CB -0.528 41.583 42.059 0.087 0.000 0.914 459 L HN 0.234 nan 8.230 nan 0.000 0.439 460 F N 0.217 120.121 119.950 -0.076 0.000 2.084 460 F HA -0.185 4.342 4.527 -0.000 0.000 0.296 460 F C 2.754 178.452 175.800 -0.171 0.000 1.111 460 F CA 1.909 59.836 58.000 -0.121 0.000 1.224 460 F CB -0.393 38.541 39.000 -0.110 0.000 0.991 460 F HN 0.054 nan 8.300 nan 0.000 0.471 461 R N 0.719 121.197 120.500 -0.038 0.000 2.097 461 R HA -0.206 4.134 4.340 -0.000 0.000 0.236 461 R C 1.881 178.133 176.300 -0.080 0.000 1.135 461 R CA 2.497 58.520 56.100 -0.127 0.000 0.934 461 R CB -1.086 29.055 30.300 -0.265 0.000 0.846 461 R HN 0.282 nan 8.270 nan 0.000 0.431 462 D N 0.198 120.565 120.400 -0.054 0.000 2.084 462 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 462 D C 2.020 178.172 176.300 -0.247 0.000 0.990 462 D CA 2.069 56.008 54.000 -0.101 0.000 0.826 462 D CB -0.373 40.373 40.800 -0.090 0.000 0.971 462 D HN 0.417 nan 8.370 nan 0.000 0.453 463 S N 0.279 115.844 115.700 -0.224 0.000 2.382 463 S HA -0.104 4.366 4.470 -0.000 0.000 0.228 463 S C 2.257 176.721 174.600 -0.227 0.000 1.027 463 S CA 0.673 58.736 58.200 -0.228 0.000 0.991 463 S CB -0.664 62.416 63.200 -0.202 0.000 0.823 463 S HN 0.234 nan 8.310 nan 0.000 0.469 464 L N 0.495 121.541 121.223 -0.295 0.000 2.179 464 L HA 0.103 4.443 4.340 -0.000 0.000 0.208 464 L C 3.136 180.008 176.870 0.005 0.000 1.096 464 L CA 0.863 55.545 54.840 -0.264 0.000 0.779 464 L CB -0.341 41.419 42.059 -0.498 0.000 0.922 464 L HN 0.263 nan 8.230 nan 0.000 0.443 465 R N -0.211 120.300 120.500 0.018 0.000 2.075 465 R HA -0.164 4.176 4.340 -0.000 0.000 0.232 465 R C 2.318 178.692 176.300 0.122 0.000 1.126 465 R CA 1.361 57.545 56.100 0.141 0.000 0.963 465 R CB -0.221 30.169 30.300 0.151 0.000 0.858 465 R HN 0.458 nan 8.270 nan 0.000 0.435 466 Q N -0.022 119.750 119.800 -0.046 0.000 2.084 466 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 466 Q C 2.179 178.192 176.000 0.021 0.000 0.978 466 Q CA 1.603 57.359 55.803 -0.080 0.000 0.844 466 Q CB -0.177 28.407 28.738 -0.256 0.000 0.898 466 Q HN 0.348 nan 8.270 nan 0.000 0.426 467 A N 0.866 123.719 122.820 0.055 0.000 1.978 467 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 467 A C 1.897 179.638 177.584 0.262 0.000 1.170 467 A CA 1.566 53.700 52.037 0.162 0.000 0.636 467 A CB -0.276 18.846 19.000 0.203 0.000 0.810 467 A HN 0.366 nan 8.150 nan 0.000 0.448 468 Q N -1.349 118.634 119.800 0.305 0.000 2.226 468 Q HA 0.023 4.363 4.340 -0.000 0.000 0.199 468 Q C 1.029 177.241 176.000 0.352 0.000 0.945 468 Q CA 0.960 56.989 55.803 0.376 0.000 0.861 468 Q CB 0.078 29.085 28.738 0.448 0.000 0.953 468 Q HN 0.574 nan 8.270 nan 0.000 0.490 469 N N -0.034 118.858 118.700 0.320 0.000 2.254 469 N HA 0.006 4.746 4.740 -0.000 0.000 0.190 469 N C 0.293 175.796 175.510 -0.012 0.000 1.107 469 N CA 0.491 53.735 53.050 0.324 0.000 0.869 469 N CB 0.751 39.491 38.487 0.422 0.000 0.983 469 N HN 0.136 nan 8.380 nan 0.000 0.487 470 E N 0.494 120.674 120.200 -0.033 0.000 2.624 470 E HA 0.102 4.451 4.350 -0.000 0.000 0.210 470 E C -0.118 176.383 176.600 -0.165 0.000 0.997 470 E CA -0.457 55.877 56.400 -0.109 0.000 0.999 470 E CB 0.306 29.988 29.700 -0.030 0.000 1.040 470 E HN 0.107 nan 8.360 nan 0.000 0.469 471 L N 1.022 122.115 121.223 -0.216 0.000 2.513 471 L HA 0.193 4.533 4.340 -0.000 0.000 0.272 471 L C 1.299 178.011 176.870 -0.263 0.000 1.187 471 L CA 1.743 56.419 54.840 -0.273 0.000 0.895 471 L CB 0.205 42.064 42.059 -0.333 0.000 1.147 471 L HN 0.389 nan 8.230 nan 0.000 0.483 472 G N 2.464 111.154 108.800 -0.183 0.000 2.336 472 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.233 472 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.233 472 G C 1.089 175.928 174.900 -0.102 0.000 1.053 472 G CA 0.505 45.530 45.100 -0.125 0.000 0.625 472 G HN 0.653 nan 8.290 nan 0.000 0.511 473 S N 0.433 116.059 115.700 -0.123 0.000 2.421 473 S HA 0.427 4.897 4.470 -0.000 0.000 0.224 473 S C 1.045 175.613 174.600 -0.053 0.000 1.035 473 S CA 1.502 59.650 58.200 -0.088 0.000 0.953 473 S CB -0.127 63.014 63.200 -0.099 0.000 0.810 473 S HN 0.946 nan 8.310 nan 0.000 0.497 474 M N -0.666 118.901 119.600 -0.055 0.000 2.664 474 M HA 0.503 4.983 4.480 -0.000 0.000 0.279 474 M C -1.370 174.897 176.300 -0.054 0.000 1.275 474 M CA -0.798 54.478 55.300 -0.041 0.000 0.829 474 M CB 1.246 33.829 32.600 -0.028 0.000 1.727 474 M HN -0.335 nan 8.290 nan 0.000 0.459 475 T N 3.042 117.549 114.554 -0.079 0.000 2.870 475 T HA 0.430 4.779 4.350 -0.000 0.000 0.300 475 T C -0.085 174.473 174.700 -0.236 0.000 0.989 475 T CA -0.151 61.833 62.100 -0.193 0.000 1.139 475 T CB 0.022 68.698 68.868 -0.321 0.000 0.920 475 T HN 0.348 nan 8.240 nan 0.000 0.537 476 I N 3.469 123.929 120.570 -0.183 0.000 2.378 476 I HA 0.308 4.478 4.170 -0.000 0.000 0.291 476 I C -0.592 175.386 176.117 -0.232 0.000 0.992 476 I CA -1.233 60.029 61.300 -0.064 0.000 1.154 476 I CB 1.040 39.144 38.000 0.173 0.000 1.315 476 I HN 0.616 nan 8.210 nan 0.000 0.448 477 Y N 4.553 124.862 120.300 0.015 0.000 2.353 477 Y HA 0.213 4.763 4.550 -0.000 0.000 0.340 477 Y C 1.167 177.060 175.900 -0.012 0.000 0.972 477 Y CA -0.208 57.876 58.100 -0.027 0.000 1.157 477 Y CB 1.839 40.256 38.460 -0.073 0.000 1.157 477 Y HN 0.402 nan 8.280 nan 0.000 0.495 478 V N 2.845 122.833 119.914 0.123 0.000 2.759 478 V HA -0.223 3.897 4.120 -0.000 0.000 0.256 478 V C 1.761 177.962 176.094 0.179 0.000 1.080 478 V CA 2.699 65.103 62.300 0.174 0.000 1.101 478 V CB -0.446 31.470 31.823 0.156 0.000 0.698 478 V HN 1.050 nan 8.190 nan 0.000 0.477 479 T N -2.372 112.246 114.554 0.107 0.000 2.904 479 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 479 T C 1.792 176.320 174.700 -0.286 0.000 1.059 479 T CA 1.392 63.367 62.100 -0.208 0.000 1.137 479 T CB -0.316 68.399 68.868 -0.255 0.000 0.879 479 T HN 0.470 nan 8.240 nan 0.000 0.467 480 Q N 1.715 121.422 119.800 -0.155 0.000 2.083 480 Q HA -0.076 4.264 4.340 -0.000 0.000 0.198 480 Q C 1.705 177.516 176.000 -0.314 0.000 0.969 480 Q CA 1.666 57.349 55.803 -0.200 0.000 0.838 480 Q CB -0.737 27.936 28.738 -0.110 0.000 0.900 480 Q HN 0.486 nan 8.270 nan 0.000 0.436 481 D N 0.094 120.297 120.400 -0.329 0.000 2.106 481 D HA -0.182 4.457 4.640 -0.000 0.000 0.191 481 D C 1.664 177.425 176.300 -0.898 0.000 0.997 481 D CA 1.850 55.447 54.000 -0.672 0.000 0.834 481 D CB -0.600 40.006 40.800 -0.323 0.000 0.956 481 D HN 0.383 nan 8.370 nan 0.000 0.448 482 A N 0.809 123.304 122.820 -0.541 0.000 1.873 482 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 482 A C 2.016 179.420 177.584 -0.301 0.000 1.193 482 A CA 2.188 53.850 52.037 -0.625 0.000 0.629 482 A CB -1.136 17.150 19.000 -1.190 0.000 0.826 482 A HN 0.311 nan 8.150 nan 0.000 0.447 483 N N -0.257 118.258 118.700 -0.309 0.000 2.104 483 N HA -0.173 4.567 4.740 -0.000 0.000 0.190 483 N C 1.283 176.804 175.510 0.018 0.000 1.024 483 N CA 1.369 54.346 53.050 -0.121 0.000 0.853 483 N CB -0.227 38.164 38.487 -0.160 0.000 1.008 483 N HN 0.457 nan 8.380 nan 0.000 0.424 484 D N 0.471 120.802 120.400 -0.115 0.000 2.087 484 D HA -0.142 4.498 4.640 -0.000 0.000 0.192 484 D C 1.696 178.200 176.300 0.339 0.000 0.993 484 D CA 1.084 55.119 54.000 0.059 0.000 0.828 484 D CB -0.414 40.141 40.800 -0.408 0.000 0.968 484 D HN 0.203 nan 8.370 nan 0.000 0.448 485 F N 1.221 121.320 119.950 0.248 0.000 2.216 485 F HA -0.078 4.449 4.527 -0.000 0.000 0.300 485 F C 2.425 178.416 175.800 0.320 0.000 1.085 485 F CA 0.778 58.957 58.000 0.297 0.000 1.326 485 F CB -1.292 37.841 39.000 0.223 0.000 1.027 485 F HN -0.063 nan 8.300 nan 0.000 0.497 486 S N -1.044 114.964 115.700 0.514 0.000 2.634 486 S HA 0.452 4.922 4.470 -0.000 0.000 0.221 486 S C 1.528 176.448 174.600 0.533 0.000 0.952 486 S CA 0.225 58.764 58.200 0.565 0.000 0.930 486 S CB -0.295 63.263 63.200 0.597 0.000 0.780 486 S HN 0.608 nan 8.310 nan 0.000 0.498 487 G N 0.826 109.898 108.800 0.454 0.000 2.131 487 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.223 487 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.223 487 G C 0.250 175.533 174.900 0.639 0.000 0.990 487 G CA -0.316 45.043 45.100 0.431 0.000 0.671 487 G HN 1.199 nan 8.290 nan 0.000 0.521 488 S N -0.848 115.142 115.700 0.483 0.000 3.405 488 S HA -0.242 4.228 4.470 -0.000 0.000 0.373 488 S C 1.848 176.615 174.600 0.278 0.000 0.939 488 S CA 1.536 59.948 58.200 0.353 0.000 1.295 488 S CB -1.625 61.808 63.200 0.388 0.000 0.919 488 S HN 2.290 nan 8.310 nan 0.000 0.535 489 S N 1.643 117.317 115.700 -0.043 0.000 2.419 489 S HA -0.233 4.237 4.470 -0.000 0.000 0.233 489 S C 1.843 176.179 174.600 -0.440 0.000 1.016 489 S CA 0.894 58.617 58.200 -0.794 0.000 0.974 489 S CB -0.422 62.148 63.200 -1.049 0.000 0.786 489 S HN 0.896 nan 8.310 nan 0.000 0.492 490 N N 2.205 120.746 118.700 -0.265 0.000 2.348 490 N HA -0.087 4.653 4.740 -0.000 0.000 0.185 490 N C 1.522 176.879 175.510 -0.255 0.000 1.019 490 N CA 1.192 54.099 53.050 -0.238 0.000 0.880 490 N CB -0.524 37.844 38.487 -0.197 0.000 0.965 490 N HN 0.501 nan 8.380 nan 0.000 0.437 491 L N -1.959 119.065 121.223 -0.332 0.000 2.467 491 L HA 0.260 4.600 4.340 -0.000 0.000 0.213 491 L C 1.213 177.646 176.870 -0.728 0.000 1.053 491 L CA 0.208 54.695 54.840 -0.588 0.000 0.847 491 L CB -0.045 41.474 42.059 -0.899 0.000 1.075 491 L HN -0.104 nan 8.230 nan 0.000 0.479 492 F N -0.599 119.395 119.950 0.074 0.000 2.678 492 F HA 0.109 4.636 4.527 -0.000 0.000 0.291 492 F C 2.517 178.422 175.800 0.175 0.000 1.123 492 F CA 0.121 58.230 58.000 0.181 0.000 1.395 492 F CB -0.206 39.011 39.000 0.362 0.000 1.121 492 F HN -0.029 nan 8.300 nan 0.000 0.592 493 Q N 0.926 120.718 119.800 -0.013 0.000 2.079 493 Q HA -0.170 4.169 4.340 -0.000 0.000 0.200 493 Q C 2.302 178.286 176.000 -0.026 0.000 0.974 493 Q CA 2.156 57.877 55.803 -0.136 0.000 0.840 493 Q CB -0.085 28.157 28.738 -0.826 0.000 0.898 493 Q HN 0.407 nan 8.270 nan 0.000 0.430 494 S N -0.165 115.493 115.700 -0.070 0.000 2.440 494 S HA -0.137 4.333 4.470 -0.000 0.000 0.238 494 S C 1.854 176.471 174.600 0.028 0.000 1.010 494 S CA 1.238 59.419 58.200 -0.033 0.000 0.972 494 S CB -0.405 62.760 63.200 -0.057 0.000 0.774 494 S HN 0.463 nan 8.310 nan 0.000 0.501 495 S N 0.105 115.849 115.700 0.073 0.000 2.593 495 S HA 0.472 4.941 4.470 -0.000 0.000 0.217 495 S C 1.544 176.218 174.600 0.123 0.000 0.966 495 S CA 0.313 58.576 58.200 0.104 0.000 0.914 495 S CB -0.479 62.808 63.200 0.144 0.000 0.776 495 S HN 1.467 nan 8.310 nan 0.000 0.523 496 G N 1.175 110.058 108.800 0.138 0.000 2.157 496 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.248 496 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.248 496 G C 0.219 175.217 174.900 0.163 0.000 0.979 496 G CA 0.032 45.219 45.100 0.145 0.000 0.650 496 G HN 0.575 nan 8.290 nan 0.000 0.529 497 R N 0.005 120.630 120.500 0.208 0.000 2.517 497 R HA 0.719 5.059 4.340 -0.000 0.000 0.250 497 R C 0.313 176.679 176.300 0.110 0.000 1.213 497 R CA 0.143 56.307 56.100 0.106 0.000 1.146 497 R CB 0.595 30.971 30.300 0.128 0.000 1.279 497 R HN 0.243 nan 8.270 nan 0.000 0.597 498 S N 0.427 115.878 115.700 -0.415 0.000 2.715 498 S HA 0.297 4.766 4.470 -0.000 0.000 0.307 498 S C -1.961 171.874 174.600 -1.274 0.000 1.119 498 S CA -1.359 56.246 58.200 -0.992 0.000 0.937 498 S CB 1.888 64.416 63.200 -1.119 0.000 1.150 498 S HN 0.472 nan 8.310 nan 0.000 0.521 499 P HA -0.096 nan 4.420 nan 0.000 0.217 499 P C 1.396 178.397 177.300 -0.499 0.000 1.150 499 P CA 1.306 63.820 63.100 -0.977 0.000 0.832 499 P CB -0.191 31.056 31.700 -0.754 0.000 0.787 500 W N 0.217 121.302 121.300 -0.359 0.000 2.848 500 W HA 0.073 4.733 4.660 -0.000 0.000 0.241 500 W C 0.409 176.802 176.519 -0.210 0.000 1.289 500 W CA 0.002 57.214 57.345 -0.222 0.000 1.396 500 W CB -2.362 27.000 29.460 -0.165 0.000 1.138 500 W HN 0.002 nan 8.180 nan 0.000 0.677 501 N N 0.845 119.128 118.700 -0.695 0.000 2.467 501 N HA -0.088 4.651 4.740 -0.000 0.000 0.184 501 N C 0.443 175.507 175.510 -0.743 0.000 1.106 501 N CA 0.247 52.912 53.050 -0.642 0.000 0.892 501 N CB 0.103 38.139 38.487 -0.752 0.000 0.969 501 N HN -0.092 nan 8.380 nan 0.000 0.454 502 S N 1.313 116.602 115.700 -0.684 0.000 2.411 502 S HA 0.251 4.721 4.470 -0.000 0.000 0.294 502 S C -0.358 174.151 174.600 -0.152 0.000 1.115 502 S CA -0.742 57.160 58.200 -0.497 0.000 1.071 502 S CB -0.068 63.036 63.200 -0.160 0.000 0.967 502 S HN 0.033 nan 8.310 nan 0.000 0.488 503 I N 5.851 126.408 120.570 -0.022 0.000 2.347 503 I HA 0.236 4.406 4.170 -0.000 0.000 0.294 503 I C 0.129 176.209 176.117 -0.062 0.000 1.090 503 I CA -0.380 60.920 61.300 -0.000 0.000 1.314 503 I CB -0.329 37.709 38.000 0.064 0.000 1.423 503 I HN 0.546 nan 8.210 nan 0.000 0.503 504 N N 8.367 126.908 118.700 -0.266 0.000 2.434 504 N HA 0.561 5.301 4.740 -0.000 0.000 0.272 504 N C -0.613 174.716 175.510 -0.302 0.000 1.040 504 N CA -0.156 52.459 53.050 -0.725 0.000 0.956 504 N CB 1.586 39.309 38.487 -1.274 0.000 1.108 504 N HN 0.433 nan 8.380 nan 0.000 0.481 505 F N -0.687 119.133 119.950 -0.217 0.000 2.654 505 F HA 0.513 5.040 4.527 -0.000 0.000 0.308 505 F C -0.183 175.770 175.800 0.255 0.000 1.108 505 F CA -0.996 56.994 58.000 -0.017 0.000 0.957 505 F CB 0.847 39.697 39.000 -0.250 0.000 1.309 505 F HN 0.046 nan 8.300 nan 0.000 0.446 506 I N 0.981 121.753 120.570 0.337 0.000 3.081 506 I HA 0.074 4.244 4.170 -0.000 0.000 0.274 506 I C -0.062 176.210 176.117 0.258 0.000 1.178 506 I CA 0.947 62.401 61.300 0.257 0.000 1.460 506 I CB -0.629 37.544 38.000 0.288 0.000 1.137 506 I HN 0.809 nan 8.210 nan 0.000 0.443 507 D N 0.796 121.396 120.400 0.334 0.000 2.736 507 D HA 0.449 5.089 4.640 -0.000 0.000 0.223 507 D C -0.696 175.643 176.300 0.066 0.000 1.231 507 D CA -0.300 53.834 54.000 0.223 0.000 0.818 507 D CB 2.950 43.797 40.800 0.079 0.000 1.587 507 D HN -0.096 nan 8.370 nan 0.000 0.463 508 V N -1.551 118.326 119.914 -0.062 0.000 3.105 508 V HA 0.421 4.541 4.120 -0.000 0.000 0.311 508 V C 1.556 177.554 176.094 -0.161 0.000 1.287 508 V CA -0.439 61.711 62.300 -0.250 0.000 1.066 508 V CB 0.874 32.360 31.823 -0.562 0.000 1.105 508 V HN 0.903 nan 8.190 nan 0.000 0.462 509 H N -0.654 118.328 119.070 -0.146 0.000 2.390 509 H HA -0.009 4.547 4.556 -0.000 0.000 0.298 509 H C 0.426 175.669 175.328 -0.140 0.000 1.106 509 H CA 1.594 57.500 56.048 -0.237 0.000 1.297 509 H CB -0.511 28.866 29.762 -0.641 0.000 1.375 509 H HN 0.644 nan 8.280 nan 0.000 0.509 510 D N 1.954 121.933 120.400 -0.702 0.000 2.338 510 D HA 0.353 4.992 4.640 -0.000 0.000 0.255 510 D C 1.042 177.373 176.300 0.053 0.000 1.237 510 D CA 1.353 55.256 54.000 -0.163 0.000 0.883 510 D CB 0.902 41.591 40.800 -0.184 0.000 1.087 510 D HN 0.783 nan 8.370 nan 0.000 0.485 511 G N 1.917 110.827 108.800 0.183 0.000 2.500 511 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.209 511 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.209 511 G C -0.247 174.719 174.900 0.111 0.000 1.283 511 G CA -0.816 44.357 45.100 0.121 0.000 0.960 511 G HN 0.419 nan 8.290 nan 0.000 0.528 512 M N 1.296 120.929 119.600 0.054 0.000 2.247 512 M HA 0.487 4.967 4.480 -0.000 0.000 0.326 512 M C 1.511 177.815 176.300 0.005 0.000 1.134 512 M CA 0.123 55.437 55.300 0.024 0.000 1.136 512 M CB 1.137 33.722 32.600 -0.025 0.000 1.454 512 M HN 0.966 nan 8.290 nan 0.000 0.467 513 T N -0.985 113.561 114.554 -0.014 0.000 2.732 513 T HA 0.180 4.530 4.350 -0.000 0.000 0.287 513 T C 0.821 175.475 174.700 -0.078 0.000 0.993 513 T CA -0.818 61.257 62.100 -0.042 0.000 0.966 513 T CB 0.620 69.448 68.868 -0.066 0.000 1.047 513 T HN 0.623 nan 8.240 nan 0.000 0.527 514 L N 0.534 121.711 121.223 -0.077 0.000 1.989 514 L HA 0.027 4.367 4.340 -0.000 0.000 0.211 514 L C 2.599 179.418 176.870 -0.084 0.000 1.071 514 L CA 2.089 56.897 54.840 -0.053 0.000 0.749 514 L CB -1.088 40.972 42.059 0.002 0.000 0.890 514 L HN 0.808 nan 8.230 nan 0.000 0.431 515 K N 0.026 120.345 120.400 -0.135 0.000 2.074 515 K HA -0.213 4.106 4.320 -0.000 0.000 0.209 515 K C 1.763 178.304 176.600 -0.100 0.000 1.048 515 K CA 2.092 58.300 56.287 -0.131 0.000 0.926 515 K CB -0.708 31.674 32.500 -0.196 0.000 0.713 515 K HN 0.449 nan 8.250 nan 0.000 0.444 516 D N -0.366 119.965 120.400 -0.116 0.000 2.178 516 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 516 D C 1.735 177.944 176.300 -0.152 0.000 0.980 516 D CA 1.424 55.361 54.000 -0.106 0.000 0.842 516 D CB -0.251 40.507 40.800 -0.071 0.000 0.948 516 D HN 0.230 nan 8.370 nan 0.000 0.472 517 V N -0.912 118.837 119.914 -0.275 0.000 3.078 517 V HA -0.173 3.947 4.120 -0.000 0.000 0.265 517 V C 0.831 176.637 176.094 -0.479 0.000 1.122 517 V CA 1.227 63.287 62.300 -0.399 0.000 1.141 517 V CB -0.784 30.736 31.823 -0.504 0.000 0.735 517 V HN 0.107 nan 8.190 nan 0.000 0.498 518 Y N -0.137 120.144 120.300 -0.031 0.000 2.612 518 Y HA 0.527 5.077 4.550 -0.000 0.000 0.250 518 Y C 1.937 177.746 175.900 -0.152 0.000 1.175 518 Y CA 0.142 58.195 58.100 -0.078 0.000 1.205 518 Y CB 0.371 38.773 38.460 -0.098 0.000 1.201 518 Y HN 0.284 nan 8.280 nan 0.000 0.532 519 S N -1.582 114.092 115.700 -0.044 0.000 2.787 519 S HA 0.228 4.698 4.470 -0.000 0.000 0.255 519 S C -0.135 174.420 174.600 -0.075 0.000 1.051 519 S CA -0.200 57.950 58.200 -0.083 0.000 1.124 519 S CB 0.211 63.362 63.200 -0.082 0.000 1.104 519 S HN 0.152 nan 8.310 nan 0.000 0.623 520 c N 2.569 121.138 118.600 -0.051 0.000 2.441 520 c HA 0.495 5.065 4.570 -0.000 0.000 0.318 520 c C 1.060 175.163 174.090 0.020 0.000 1.222 520 c CA -0.957 55.355 56.329 -0.028 0.000 1.474 520 c CB 1.120 43.608 42.510 -0.036 0.000 2.125 520 c HN 0.390 nan 8.230 nan 0.000 0.479 521 N N 1.036 119.759 118.700 0.038 0.000 2.467 521 N HA 0.208 4.948 4.740 -0.000 0.000 0.184 521 N C 0.595 176.133 175.510 0.046 0.000 1.106 521 N CA 0.578 53.684 53.050 0.093 0.000 0.892 521 N CB 0.591 39.142 38.487 0.107 0.000 0.969 521 N HN 1.005 nan 8.380 nan 0.000 0.454 522 G N -1.213 107.594 108.800 0.012 0.000 2.451 522 G HA2 0.553 4.513 3.960 -0.000 0.000 0.292 522 G HA3 0.553 4.513 3.960 -0.000 0.000 0.292 522 G C -1.611 173.278 174.900 -0.018 0.000 1.427 522 G CA -0.313 44.781 45.100 -0.010 0.000 0.792 522 G HN 0.158 nan 8.290 nan 0.000 0.498 523 A N -0.201 122.606 122.820 -0.021 0.000 2.386 523 A HA 0.642 4.962 4.320 -0.000 0.000 0.248 523 A C 0.198 177.774 177.584 -0.014 0.000 1.082 523 A CA -0.111 51.917 52.037 -0.014 0.000 0.789 523 A CB 0.640 19.635 19.000 -0.008 0.000 1.025 523 A HN 0.957 nan 8.150 nan 0.000 0.490 524 N N 0.759 119.452 118.700 -0.013 0.000 2.727 524 N HA 0.185 4.925 4.740 -0.000 0.000 0.252 524 N C -0.868 174.637 175.510 -0.008 0.000 1.283 524 N CA -0.424 52.615 53.050 -0.018 0.000 0.782 524 N CB 0.261 38.727 38.487 -0.035 0.000 1.199 524 N HN 0.491 nan 8.380 nan 0.000 0.520 525 N N -0.258 118.442 118.700 -0.000 0.000 2.268 525 N HA 0.030 4.770 4.740 -0.000 0.000 0.204 525 N C 0.334 175.846 175.510 0.003 0.000 1.124 525 N CA 0.181 53.234 53.050 0.006 0.000 0.838 525 N CB 0.459 38.956 38.487 0.016 0.000 0.994 525 N HN 0.467 nan 8.380 nan 0.000 0.489 526 S N -1.346 114.354 115.700 0.001 0.000 2.601 526 S HA 0.246 4.716 4.470 -0.000 0.000 0.244 526 S C 0.500 175.104 174.600 0.007 0.000 1.001 526 S CA -0.589 57.613 58.200 0.003 0.000 0.984 526 S CB 0.260 63.461 63.200 0.001 0.000 0.842 526 S HN 0.098 nan 8.310 nan 0.000 0.474 527 Q N 1.026 120.832 119.800 0.010 0.000 2.396 527 Q HA 0.675 5.015 4.340 -0.000 0.000 0.221 527 Q C 0.317 176.345 176.000 0.046 0.000 1.025 527 Q CA -0.234 55.581 55.803 0.020 0.000 0.946 527 Q CB 0.666 29.416 28.738 0.020 0.000 1.224 527 Q HN 0.541 nan 8.270 nan 0.000 0.539 528 A N 0.597 123.457 122.820 0.067 0.000 2.239 528 A HA 0.233 4.553 4.320 -0.000 0.000 0.303 528 A C -0.910 176.765 177.584 0.151 0.000 1.114 528 A CA -0.624 51.475 52.037 0.104 0.000 0.871 528 A CB 0.230 19.288 19.000 0.097 0.000 1.201 528 A HN 0.785 nan 8.150 nan 0.000 0.506 529 W N 1.259 122.540 121.300 -0.031 0.000 2.314 529 W HA 0.169 4.828 4.660 -0.000 0.000 0.339 529 W C -1.932 174.564 176.519 -0.037 0.000 1.293 529 W CA -0.562 56.740 57.345 -0.072 0.000 1.288 529 W CB 0.699 30.108 29.460 -0.086 0.000 1.186 529 W HN 0.487 nan 8.180 nan 0.000 0.566 530 P HA 0.046 nan 4.420 nan 0.000 0.263 530 P C -0.193 176.485 177.300 -1.036 0.000 1.448 530 P CA 0.440 62.656 63.100 -1.474 0.000 0.983 530 P CB -0.152 30.535 31.700 -1.689 0.000 1.481 531 Y N -0.107 119.955 120.300 -0.396 0.000 2.458 531 Y HA 0.495 5.045 4.550 -0.000 0.000 0.256 531 Y C 1.569 177.349 175.900 -0.199 0.000 1.159 531 Y CA 0.442 58.373 58.100 -0.280 0.000 1.261 531 Y CB 0.804 39.151 38.460 -0.189 0.000 1.119 531 Y HN 0.088 nan 8.280 nan 0.000 0.524 532 G N -0.456 108.311 108.800 -0.055 0.000 2.325 532 G HA2 0.253 4.213 3.960 -0.000 0.000 0.295 532 G HA3 0.253 4.213 3.960 -0.000 0.000 0.295 532 G C -3.284 171.629 174.900 0.023 0.000 1.274 532 G CA -1.069 44.013 45.100 -0.030 0.000 0.857 532 G HN -0.311 nan 8.290 nan 0.000 0.499 533 P HA 0.551 nan 4.420 nan 0.000 0.282 533 P C -0.899 176.371 177.300 -0.050 0.000 1.259 533 P CA -0.322 62.772 63.100 -0.010 0.000 0.826 533 P CB 1.923 33.626 31.700 0.005 0.000 1.064 534 S N 0.536 116.214 115.700 -0.037 0.000 2.594 534 S HA 0.218 4.688 4.470 -0.000 0.000 0.296 534 S C -0.700 173.934 174.600 0.057 0.000 1.124 534 S CA -0.726 57.453 58.200 -0.036 0.000 1.011 534 S CB 0.777 63.934 63.200 -0.072 0.000 1.016 534 S HN 0.491 nan 8.310 nan 0.000 0.485 535 D N 2.021 122.499 120.400 0.130 0.000 2.349 535 D HA 0.177 4.817 4.640 -0.000 0.000 0.266 535 D C 0.875 177.233 176.300 0.098 0.000 1.293 535 D CA -0.301 53.763 54.000 0.106 0.000 0.926 535 D CB 0.078 40.939 40.800 0.102 0.000 1.090 535 D HN 0.697 nan 8.370 nan 0.000 0.502 536 G N 2.481 111.314 108.800 0.056 0.000 2.942 536 G HA2 0.059 4.019 3.960 -0.000 0.000 0.290 536 G HA3 0.059 4.019 3.960 -0.000 0.000 0.290 536 G C 0.745 175.670 174.900 0.043 0.000 0.295 536 G CA 0.027 45.151 45.100 0.040 0.000 1.201 536 G HN 0.716 nan 8.290 nan 0.000 0.204 537 G N 0.517 109.349 108.800 0.053 0.000 3.022 537 G HA2 0.570 4.530 3.960 -0.000 0.000 0.157 537 G HA3 0.570 4.530 3.960 -0.000 0.000 0.157 537 G C 0.641 175.556 174.900 0.025 0.000 1.468 537 G CA 0.510 45.650 45.100 0.067 0.000 1.058 537 G HN 0.979 nan 8.290 nan 0.000 0.581 538 T N -0.790 113.775 114.554 0.018 0.000 2.860 538 T HA 0.310 4.660 4.350 -0.000 0.000 0.299 538 T C 1.661 176.326 174.700 -0.058 0.000 1.045 538 T CA 0.558 62.641 62.100 -0.029 0.000 1.071 538 T CB 0.830 69.673 68.868 -0.042 0.000 0.985 538 T HN 0.562 nan 8.240 nan 0.000 0.537 539 S N 0.761 116.409 115.700 -0.086 0.000 2.517 539 S HA 0.102 4.572 4.470 -0.000 0.000 0.214 539 S C 0.835 175.327 174.600 -0.180 0.000 0.991 539 S CA 0.069 58.208 58.200 -0.102 0.000 0.906 539 S CB -0.156 62.996 63.200 -0.080 0.000 0.789 539 S HN 0.861 nan 8.310 nan 0.000 0.513 540 T N 0.779 115.180 114.554 -0.255 0.000 3.254 540 T HA 0.453 4.803 4.350 -0.000 0.000 0.385 540 T C 0.209 174.513 174.700 -0.660 0.000 1.528 540 T CA -0.883 60.889 62.100 -0.546 0.000 1.212 540 T CB 0.320 68.890 68.868 -0.496 0.000 1.145 540 T HN 0.089 nan 8.240 nan 0.000 0.631 541 N N 1.382 119.782 118.700 -0.501 0.000 2.405 541 N HA -0.006 4.734 4.740 -0.000 0.000 0.175 541 N C -0.319 175.064 175.510 -0.212 0.000 1.051 541 N CA 0.152 53.036 53.050 -0.276 0.000 0.899 541 N CB -0.156 38.254 38.487 -0.129 0.000 1.000 541 N HN 0.671 nan 8.380 nan 0.000 0.451 542 Y N 0.713 121.014 120.300 0.002 0.000 3.389 542 Y HA -0.239 4.311 4.550 -0.000 0.000 0.213 542 Y C 0.526 176.447 175.900 0.036 0.000 1.272 542 Y CA -0.171 57.937 58.100 0.014 0.000 1.444 542 Y CB -2.753 35.712 38.460 0.009 0.000 1.445 542 Y HN -0.000 nan 8.280 nan 0.000 0.583 543 S N -1.415 114.339 115.700 0.091 0.000 2.651 543 S HA 0.793 5.263 4.470 -0.000 0.000 0.291 543 S C -0.811 173.935 174.600 0.244 0.000 1.141 543 S CA -0.441 57.817 58.200 0.096 0.000 1.027 543 S CB 2.841 66.042 63.200 0.003 0.000 1.043 543 S HN 0.546 nan 8.310 nan 0.000 0.530 544 W N 1.954 123.266 121.300 0.019 0.000 3.571 544 W HA 0.348 5.007 4.660 -0.000 0.000 0.294 544 W C -1.161 175.387 176.519 0.049 0.000 1.257 544 W CA -1.010 56.357 57.345 0.037 0.000 1.206 544 W CB 1.133 30.630 29.460 0.061 0.000 1.325 544 W HN 0.826 nan 8.180 nan 0.000 0.546 545 D N 2.864 123.054 120.400 -0.351 0.000 2.319 545 D HA -0.029 4.611 4.640 -0.000 0.000 0.230 545 D C 0.435 176.276 176.300 -0.766 0.000 1.094 545 D CA 0.535 54.281 54.000 -0.424 0.000 0.856 545 D CB 0.197 40.870 40.800 -0.211 0.000 0.915 545 D HN 0.340 nan 8.370 nan 0.000 0.517 546 Q N -1.078 117.716 119.800 -1.677 0.000 2.489 546 Q HA -0.176 4.164 4.340 -0.000 0.000 0.259 546 Q C 1.225 176.612 176.000 -1.022 0.000 0.934 546 Q CA 1.123 55.862 55.803 -1.772 0.000 1.131 546 Q CB -2.564 25.704 28.738 -0.782 0.000 1.472 546 Q HN 0.798 nan 8.270 nan 0.000 0.560 547 G N -0.567 107.817 108.800 -0.694 0.000 2.175 547 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.244 547 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.244 547 G C 0.633 175.477 174.900 -0.093 0.000 0.982 547 G CA 1.245 46.307 45.100 -0.063 0.000 0.641 547 G HN 0.390 nan 8.290 nan 0.000 0.527 548 M N 2.212 121.700 119.600 -0.187 0.000 2.151 548 M HA -0.162 4.318 4.480 -0.000 0.000 0.256 548 M C 2.791 179.056 176.300 -0.058 0.000 1.072 548 M CA 3.630 58.856 55.300 -0.122 0.000 1.090 548 M CB -0.462 32.052 32.600 -0.144 0.000 1.294 548 M HN 0.919 nan 8.290 nan 0.000 0.415 549 S N -0.175 115.503 115.700 -0.036 0.000 2.402 549 S HA 0.028 4.498 4.470 -0.000 0.000 0.229 549 S C 2.049 176.656 174.600 0.012 0.000 1.021 549 S CA 0.910 59.105 58.200 -0.008 0.000 0.974 549 S CB -1.090 62.113 63.200 0.005 0.000 0.800 549 S HN 0.618 nan 8.310 nan 0.000 0.484 550 A N 0.900 123.742 122.820 0.037 0.000 2.168 550 A HA 0.469 4.789 4.320 -0.000 0.000 0.215 550 A C 1.964 179.564 177.584 0.027 0.000 1.152 550 A CA 0.966 53.031 52.037 0.048 0.000 0.716 550 A CB -1.335 17.721 19.000 0.093 0.000 0.794 550 A HN 1.607 nan 8.150 nan 0.000 0.465 551 G N -1.650 107.156 108.800 0.010 0.000 2.176 551 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.253 551 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.253 551 G C 0.931 175.832 174.900 0.002 0.000 0.979 551 G CA 1.356 46.456 45.100 0.000 0.000 0.641 551 G HN 1.301 nan 8.290 nan 0.000 0.530 552 T N -1.707 112.856 114.554 0.015 0.000 3.086 552 T HA 0.566 4.916 4.350 -0.000 0.000 0.250 552 T C 1.080 175.775 174.700 -0.008 0.000 1.074 552 T CA 1.071 63.183 62.100 0.020 0.000 0.988 552 T CB 1.212 70.115 68.868 0.059 0.000 0.988 552 T HN 1.552 nan 8.240 nan 0.000 0.530 553 G N -0.235 108.537 108.800 -0.047 0.000 2.733 553 G HA2 0.781 4.741 3.960 -0.000 0.000 0.288 553 G HA3 0.781 4.741 3.960 -0.000 0.000 0.288 553 G C -1.435 173.407 174.900 -0.097 0.000 1.373 553 G CA -0.545 44.493 45.100 -0.104 0.000 0.895 553 G HN 0.556 nan 8.290 nan 0.000 0.479 554 A N -1.346 121.407 122.820 -0.111 0.000 2.567 554 A HA 0.858 5.178 4.320 -0.000 0.000 0.289 554 A C 1.216 178.736 177.584 -0.106 0.000 1.177 554 A CA 0.591 52.574 52.037 -0.090 0.000 0.694 554 A CB 0.596 19.560 19.000 -0.060 0.000 1.292 554 A HN 2.006 nan 8.150 nan 0.000 0.425 555 A N -0.490 122.279 122.820 -0.084 0.000 1.883 555 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 555 A C 1.933 179.460 177.584 -0.095 0.000 1.186 555 A CA 2.748 54.733 52.037 -0.087 0.000 0.624 555 A CB -1.482 17.480 19.000 -0.062 0.000 0.822 555 A HN 1.529 nan 8.150 nan 0.000 0.444 556 V N 0.432 120.298 119.914 -0.080 0.000 2.380 556 V HA -0.317 3.803 4.120 -0.000 0.000 0.251 556 V C 1.959 177.982 176.094 -0.119 0.000 1.063 556 V CA 2.266 64.514 62.300 -0.086 0.000 1.055 556 V CB -1.120 30.663 31.823 -0.066 0.000 0.657 556 V HN 0.518 nan 8.190 nan 0.000 0.455 557 D N 0.107 120.430 120.400 -0.127 0.000 2.144 557 D HA -0.173 4.467 4.640 -0.000 0.000 0.200 557 D C 2.379 178.559 176.300 -0.199 0.000 0.978 557 D CA 1.548 55.452 54.000 -0.160 0.000 0.833 557 D CB -0.136 40.561 40.800 -0.171 0.000 0.961 557 D HN 0.605 nan 8.370 nan 0.000 0.470 558 Q N 0.363 120.050 119.800 -0.188 0.000 2.167 558 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 558 Q C 2.221 178.109 176.000 -0.186 0.000 0.970 558 Q CA 0.724 56.423 55.803 -0.174 0.000 0.855 558 Q CB 0.036 28.690 28.738 -0.140 0.000 0.911 558 Q HN 0.201 nan 8.270 nan 0.000 0.438 559 R N 0.412 120.807 120.500 -0.176 0.000 2.090 559 R HA -0.056 4.284 4.340 -0.000 0.000 0.228 559 R C 2.354 178.530 176.300 -0.206 0.000 1.110 559 R CA 0.951 56.946 56.100 -0.175 0.000 0.973 559 R CB -0.107 30.123 30.300 -0.116 0.000 0.869 559 R HN 0.142 nan 8.270 nan 0.000 0.440 560 R N 0.727 121.096 120.500 -0.219 0.000 2.081 560 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 560 R C 2.060 178.173 176.300 -0.311 0.000 1.131 560 R CA 1.618 57.570 56.100 -0.246 0.000 0.960 560 R CB -0.243 29.942 30.300 -0.192 0.000 0.856 560 R HN 0.177 nan 8.270 nan 0.000 0.436 561 A N 0.841 123.430 122.820 -0.384 0.000 1.902 561 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 561 A C 2.396 179.382 177.584 -0.996 0.000 1.181 561 A CA 1.595 53.225 52.037 -0.678 0.000 0.623 561 A CB -0.778 17.769 19.000 -0.755 0.000 0.818 561 A HN 0.567 nan 8.150 nan 0.000 0.443 562 A N -0.404 122.023 122.820 -0.656 0.000 1.933 562 A HA -0.144 4.175 4.320 -0.000 0.000 0.218 562 A C 2.251 179.812 177.584 -0.039 0.000 1.175 562 A CA 1.458 53.345 52.037 -0.251 0.000 0.628 562 A CB -0.454 18.429 19.000 -0.194 0.000 0.814 562 A HN 0.526 nan 8.150 nan 0.000 0.444 563 R N -0.962 119.467 120.500 -0.118 0.000 2.081 563 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 563 R C 2.235 178.416 176.300 -0.199 0.000 1.131 563 R CA 1.845 57.761 56.100 -0.307 0.000 0.960 563 R CB -0.621 29.229 30.300 -0.751 0.000 0.856 563 R HN 0.551 nan 8.270 nan 0.000 0.436 564 T N -0.448 113.908 114.554 -0.329 0.000 2.777 564 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 564 T C 1.827 176.070 174.700 -0.762 0.000 1.040 564 T CA 1.381 63.179 62.100 -0.504 0.000 1.141 564 T CB -0.383 68.212 68.868 -0.455 0.000 0.868 564 T HN 0.496 nan 8.240 nan 0.000 0.444 565 G N 1.095 109.647 108.800 -0.413 0.000 2.404 565 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.215 565 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.215 565 G C 1.578 176.555 174.900 0.129 0.000 1.174 565 G CA 0.795 45.873 45.100 -0.036 0.000 0.780 565 G HN 0.430 nan 8.290 nan 0.000 0.537 566 M N 0.832 120.535 119.600 0.173 0.000 2.117 566 M HA 0.055 4.535 4.480 -0.000 0.000 0.262 566 M C 2.763 179.176 176.300 0.187 0.000 1.065 566 M CA 1.683 57.130 55.300 0.246 0.000 1.114 566 M CB -0.079 32.731 32.600 0.350 0.000 1.361 566 M HN 0.274 nan 8.290 nan 0.000 0.408 567 A N 0.348 123.239 122.820 0.117 0.000 1.940 567 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 567 A C 1.716 179.396 177.584 0.160 0.000 1.176 567 A CA 1.486 53.568 52.037 0.076 0.000 0.631 567 A CB -1.091 17.924 19.000 0.026 0.000 0.814 567 A HN 0.559 nan 8.150 nan 0.000 0.446 568 F N 0.822 120.862 119.950 0.149 0.000 2.069 568 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 568 F C 2.616 178.676 175.800 0.432 0.000 1.113 568 F CA 1.333 59.471 58.000 0.231 0.000 1.214 568 F CB -1.000 38.135 39.000 0.225 0.000 0.978 568 F HN 0.624 nan 8.300 nan 0.000 0.474 569 E N -0.745 119.830 120.200 0.625 0.000 2.152 569 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 569 E C 1.838 178.589 176.600 0.252 0.000 0.983 569 E CA 1.186 57.854 56.400 0.448 0.000 0.818 569 E CB -0.364 29.541 29.700 0.341 0.000 0.758 569 E HN 0.229 nan 8.360 nan 0.000 0.467 570 M N 0.089 119.817 119.600 0.213 0.000 2.558 570 M HA 0.086 4.565 4.480 -0.000 0.000 0.255 570 M C 1.444 177.848 176.300 0.174 0.000 1.113 570 M CA 0.535 55.917 55.300 0.136 0.000 1.097 570 M CB -0.120 32.509 32.600 0.048 0.000 1.426 570 M HN 0.180 nan 8.290 nan 0.000 0.488 571 L N -1.114 120.245 121.223 0.226 0.000 2.575 571 L HA 0.255 4.595 4.340 -0.000 0.000 0.228 571 L C 0.805 177.867 176.870 0.319 0.000 1.075 571 L CA 0.430 55.416 54.840 0.244 0.000 0.867 571 L CB -0.250 41.910 42.059 0.169 0.000 1.097 571 L HN -0.018 nan 8.230 nan 0.000 0.485 572 S N 0.412 116.334 115.700 0.371 0.000 2.576 572 S HA 0.506 4.976 4.470 -0.000 0.000 0.276 572 S C 0.482 175.280 174.600 0.331 0.000 1.339 572 S CA -0.379 58.088 58.200 0.444 0.000 1.039 572 S CB 0.960 64.511 63.200 0.584 0.000 0.902 572 S HN 0.302 nan 8.310 nan 0.000 0.516 573 A N 2.084 125.124 122.820 0.365 0.000 2.462 573 A HA 0.631 4.951 4.320 -0.000 0.000 0.243 573 A C 0.977 178.645 177.584 0.140 0.000 1.076 573 A CA 0.490 52.667 52.037 0.234 0.000 0.773 573 A CB -0.672 18.453 19.000 0.207 0.000 1.010 573 A HN 1.492 nan 8.150 nan 0.000 0.493 574 G N 0.106 108.948 108.800 0.071 0.000 2.316 574 G HA2 0.332 4.292 3.960 -0.000 0.000 0.349 574 G HA3 0.332 4.292 3.960 -0.000 0.000 0.349 574 G C -0.553 174.380 174.900 0.056 0.000 1.274 574 G CA -0.283 44.830 45.100 0.021 0.000 1.018 574 G HN 1.216 nan 8.290 nan 0.000 0.486 575 T N 3.191 117.768 114.554 0.038 0.000 2.756 575 T HA 0.647 4.997 4.350 -0.000 0.000 0.290 575 T C -2.608 172.084 174.700 -0.013 0.000 0.985 575 T CA -0.780 61.357 62.100 0.061 0.000 0.955 575 T CB 1.874 70.828 68.868 0.143 0.000 0.930 575 T HN 0.449 nan 8.240 nan 0.000 0.451 576 P HA 0.432 nan 4.420 nan 0.000 0.275 576 P C -1.018 176.260 177.300 -0.036 0.000 1.228 576 P CA -0.767 62.319 63.100 -0.022 0.000 0.786 576 P CB 0.593 32.308 31.700 0.026 0.000 0.927 577 L N 3.989 125.182 121.223 -0.050 0.000 2.438 577 L HA 0.626 4.966 4.340 -0.000 0.000 0.270 577 L C -0.870 175.962 176.870 -0.063 0.000 0.972 577 L CA -0.731 54.044 54.840 -0.109 0.000 0.831 577 L CB 1.384 43.273 42.059 -0.285 0.000 1.273 577 L HN 0.376 nan 8.230 nan 0.000 0.405 578 M N 2.189 121.751 119.600 -0.064 0.000 2.598 578 M HA 0.591 5.071 4.480 -0.000 0.000 0.317 578 M C -0.975 175.212 176.300 -0.188 0.000 1.179 578 M CA -0.642 54.626 55.300 -0.054 0.000 0.936 578 M CB 1.860 34.472 32.600 0.021 0.000 1.713 578 M HN 0.730 nan 8.290 nan 0.000 0.460 579 Q N 1.208 120.896 119.800 -0.187 0.000 2.256 579 Q HA 0.477 4.817 4.340 -0.000 0.000 0.254 579 Q C 0.014 175.762 176.000 -0.420 0.000 0.916 579 Q CA -0.374 55.266 55.803 -0.271 0.000 0.932 579 Q CB 1.591 30.239 28.738 -0.150 0.000 1.207 579 Q HN 1.033 nan 8.270 nan 0.000 0.426 580 G N 1.508 109.872 108.800 -0.726 0.000 2.305 580 G HA2 0.321 4.280 3.960 -0.000 0.000 0.243 580 G HA3 0.321 4.280 3.960 -0.000 0.000 0.243 580 G C 0.817 175.605 174.900 -0.187 0.000 1.288 580 G CA 0.413 44.995 45.100 -0.864 0.000 0.901 580 G HN 1.023 nan 8.290 nan 0.000 0.516 581 G N 2.323 111.126 108.800 0.006 0.000 2.278 581 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.210 581 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.210 581 G C 0.918 175.496 174.900 -0.538 0.000 1.000 581 G CA 0.623 45.570 45.100 -0.254 0.000 0.635 581 G HN 0.598 nan 8.290 nan 0.000 0.495 582 D N 1.513 121.775 120.400 -0.230 0.000 2.263 582 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 582 D C 2.416 178.726 176.300 0.015 0.000 0.971 582 D CA 1.282 55.191 54.000 -0.152 0.000 0.867 582 D CB -0.067 40.715 40.800 -0.030 0.000 0.929 582 D HN 0.760 nan 8.370 nan 0.000 0.492 583 E N 0.560 120.837 120.200 0.127 0.000 2.478 583 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 583 E C 0.770 177.532 176.600 0.271 0.000 1.046 583 E CA 0.619 57.201 56.400 0.304 0.000 0.870 583 E CB -0.464 29.457 29.700 0.368 0.000 0.818 583 E HN 0.574 nan 8.360 nan 0.000 0.527 584 Y N -1.421 118.803 120.300 -0.126 0.000 2.738 584 Y HA 0.474 5.024 4.550 -0.000 0.000 0.249 584 Y C 0.289 175.982 175.900 -0.346 0.000 1.157 584 Y CA -1.026 56.784 58.100 -0.483 0.000 1.189 584 Y CB -0.089 37.480 38.460 -1.484 0.000 1.262 584 Y HN -0.131 nan 8.280 nan 0.000 0.554 585 L N 1.168 122.098 121.223 -0.488 0.000 3.548 585 L HA -0.292 4.048 4.340 -0.000 0.000 0.443 585 L C 0.673 177.279 176.870 -0.440 0.000 1.286 585 L CA 0.925 55.462 54.840 -0.505 0.000 0.863 585 L CB -1.039 40.745 42.059 -0.458 0.000 1.734 585 L HN 0.623 nan 8.230 nan 0.000 0.873 586 R N 0.530 120.593 120.500 -0.729 0.000 2.585 586 R HA 0.228 4.568 4.340 -0.000 0.000 0.275 586 R C 0.314 176.491 176.300 -0.205 0.000 1.018 586 R CA 1.122 56.923 56.100 -0.499 0.000 1.072 586 R CB 0.814 30.780 30.300 -0.556 0.000 0.953 586 R HN 0.195 nan 8.270 nan 0.000 0.419 587 T N 3.244 117.757 114.554 -0.068 0.000 2.907 587 T HA 0.427 4.777 4.350 -0.000 0.000 0.292 587 T C -0.429 174.299 174.700 0.046 0.000 1.043 587 T CA -0.810 61.271 62.100 -0.031 0.000 1.003 587 T CB 1.151 69.998 68.868 -0.036 0.000 1.084 587 T HN 0.420 nan 8.240 nan 0.000 0.483 588 L N 2.960 124.214 121.223 0.051 0.000 3.122 588 L HA 0.455 4.795 4.340 -0.000 0.000 0.274 588 L C 0.983 177.918 176.870 0.108 0.000 1.222 588 L CA 0.686 55.601 54.840 0.125 0.000 1.028 588 L CB -0.600 41.509 42.059 0.084 0.000 1.386 588 L HN 0.881 nan 8.230 nan 0.000 0.578 589 Q N -1.234 118.557 119.800 -0.014 0.000 2.457 589 Q HA -0.315 4.025 4.340 -0.000 0.000 0.283 589 Q C 0.646 176.597 176.000 -0.082 0.000 1.234 589 Q CA 0.613 56.337 55.803 -0.133 0.000 0.877 589 Q CB -1.950 26.553 28.738 -0.392 0.000 1.250 589 Q HN 0.602 nan 8.270 nan 0.000 0.481 590 c N -2.157 116.419 118.600 -0.039 0.000 4.617 590 c HA -0.166 4.404 4.570 -0.000 0.000 0.260 590 c C 0.746 174.836 174.090 -0.000 0.000 1.288 590 c CA 0.288 56.602 56.329 -0.026 0.000 1.668 590 c CB -2.147 40.338 42.510 -0.040 0.000 1.518 590 c HN 0.780 nan 8.230 nan 0.000 0.708 591 N N 2.387 121.101 118.700 0.023 0.000 2.452 591 N HA 0.146 4.886 4.740 -0.000 0.000 0.266 591 N C 0.707 176.258 175.510 0.067 0.000 1.175 591 N CA 0.751 53.824 53.050 0.039 0.000 0.945 591 N CB 0.513 39.025 38.487 0.043 0.000 1.063 591 N HN 0.742 nan 8.380 nan 0.000 0.472 592 N N 2.530 121.274 118.700 0.074 0.000 2.214 592 N HA 0.020 4.760 4.740 -0.000 0.000 0.214 592 N C -0.663 174.961 175.510 0.189 0.000 1.132 592 N CA -0.182 52.935 53.050 0.112 0.000 0.856 592 N CB -0.109 38.416 38.487 0.064 0.000 1.020 592 N HN 0.424 nan 8.380 nan 0.000 0.509 593 N N -0.016 118.792 118.700 0.180 0.000 2.620 593 N HA 0.254 4.994 4.740 -0.000 0.000 0.277 593 N C -0.917 174.609 175.510 0.028 0.000 1.726 593 N CA -0.204 52.970 53.050 0.207 0.000 0.840 593 N CB 0.485 39.076 38.487 0.174 0.000 1.379 593 N HN 0.238 nan 8.380 nan 0.000 0.506 594 A N 0.870 123.710 122.820 0.033 0.000 2.604 594 A HA 0.051 4.371 4.320 -0.000 0.000 0.248 594 A C 0.937 178.154 177.584 -0.612 0.000 1.466 594 A CA -0.190 51.746 52.037 -0.167 0.000 1.222 594 A CB -1.244 17.779 19.000 0.039 0.000 0.945 594 A HN 0.640 nan 8.150 nan 0.000 0.600 595 Y N -0.198 119.380 120.300 -1.202 0.000 2.509 595 Y HA -0.040 4.510 4.550 -0.000 0.000 0.293 595 Y C 1.214 176.793 175.900 -0.536 0.000 1.133 595 Y CA 0.931 58.049 58.100 -1.637 0.000 1.283 595 Y CB -0.244 37.433 38.460 -1.305 0.000 1.001 595 Y HN 0.463 nan 8.280 nan 0.000 0.555 596 N N 0.408 118.401 118.700 -1.179 0.000 2.235 596 N HA 0.125 4.865 4.740 -0.000 0.000 0.231 596 N C -0.732 174.555 175.510 -0.372 0.000 1.177 596 N CA -0.085 52.527 53.050 -0.730 0.000 0.874 596 N CB -0.273 37.637 38.487 -0.961 0.000 1.097 596 N HN 0.428 nan 8.380 nan 0.000 0.518 597 L N 1.163 122.147 121.223 -0.399 0.000 2.353 597 L HA 0.237 4.577 4.340 -0.000 0.000 0.269 597 L C -0.162 176.281 176.870 -0.712 0.000 1.085 597 L CA -0.371 54.191 54.840 -0.463 0.000 0.938 597 L CB 0.631 42.371 42.059 -0.532 0.000 1.312 597 L HN -0.077 nan 8.230 nan 0.000 0.429 598 D N 2.335 122.488 120.400 -0.412 0.000 2.741 598 D HA 0.163 4.802 4.640 -0.000 0.000 0.233 598 D C -0.078 175.829 176.300 -0.656 0.000 1.160 598 D CA 0.174 53.949 54.000 -0.376 0.000 1.003 598 D CB 0.398 41.343 40.800 0.242 0.000 1.064 598 D HN 0.465 nan 8.370 nan 0.000 0.503 599 S N -1.007 113.801 115.700 -1.487 0.000 2.685 599 S HA 0.338 4.808 4.470 -0.000 0.000 0.282 599 S C 1.257 174.509 174.600 -2.246 0.000 1.159 599 S CA -0.214 57.013 58.200 -1.623 0.000 0.833 599 S CB 1.210 63.407 63.200 -1.671 0.000 1.151 599 S HN 0.041 nan 8.310 nan 0.000 0.485 600 S N 0.442 115.249 115.700 -1.488 0.000 2.419 600 S HA -0.053 4.416 4.470 -0.000 0.000 0.233 600 S C 1.928 176.064 174.600 -0.773 0.000 1.016 600 S CA 0.884 58.460 58.200 -1.040 0.000 0.974 600 S CB -1.132 61.866 63.200 -0.337 0.000 0.786 600 S HN 1.239 nan 8.310 nan 0.000 0.492 601 A N 2.210 124.466 122.820 -0.939 0.000 1.969 601 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 601 A C 2.219 179.473 177.584 -0.552 0.000 1.169 601 A CA 1.445 52.971 52.037 -0.852 0.000 0.635 601 A CB -0.668 17.424 19.000 -1.513 0.000 0.810 601 A HN 0.528 nan 8.150 nan 0.000 0.445 602 N N -0.825 117.452 118.700 -0.704 0.000 2.336 602 N HA -0.003 4.737 4.740 -0.000 0.000 0.177 602 N C 0.395 175.840 175.510 -0.108 0.000 1.018 602 N CA 0.353 53.135 53.050 -0.447 0.000 0.878 602 N CB -0.212 37.838 38.487 -0.728 0.000 0.997 602 N HN 0.655 nan 8.380 nan 0.000 0.433 603 W N 0.956 122.191 121.300 -0.108 0.000 2.079 603 W HA 0.346 5.006 4.660 -0.000 0.000 0.354 603 W C 0.236 176.822 176.519 0.113 0.000 1.302 603 W CA -1.132 56.254 57.345 0.069 0.000 1.281 603 W CB 0.055 29.567 29.460 0.086 0.000 1.165 603 W HN -0.215 nan 8.180 nan 0.000 0.603 604 L N 1.574 123.076 121.223 0.464 0.000 2.436 604 L HA 0.384 4.724 4.340 -0.000 0.000 0.265 604 L C 0.615 177.553 176.870 0.114 0.000 1.168 604 L CA 0.377 55.406 54.840 0.316 0.000 0.815 604 L CB 0.833 43.106 42.059 0.356 0.000 1.109 604 L HN 0.531 nan 8.230 nan 0.000 0.462 605 T N 0.852 115.345 114.554 -0.101 0.000 2.908 605 T HA 0.483 4.833 4.350 -0.000 0.000 0.290 605 T C -0.192 174.121 174.700 -0.645 0.000 1.034 605 T CA -0.149 61.836 62.100 -0.190 0.000 1.010 605 T CB 0.575 69.447 68.868 0.007 0.000 1.068 605 T HN 0.367 nan 8.240 nan 0.000 0.481 606 Y N 1.387 121.585 120.300 -0.170 0.000 2.612 606 Y HA 0.414 4.964 4.550 -0.000 0.000 0.250 606 Y C 1.251 176.604 175.900 -0.911 0.000 1.175 606 Y CA -0.524 57.233 58.100 -0.572 0.000 1.205 606 Y CB 0.851 39.025 38.460 -0.478 0.000 1.201 606 Y HN 0.492 nan 8.280 nan 0.000 0.532 607 S N 1.615 117.082 115.700 -0.388 0.000 2.423 607 S HA 0.367 4.836 4.470 -0.000 0.000 0.317 607 S C -0.988 173.605 174.600 -0.012 0.000 1.065 607 S CA -0.547 57.512 58.200 -0.235 0.000 1.111 607 S CB 0.011 63.169 63.200 -0.069 0.000 0.968 607 S HN 0.253 nan 8.310 nan 0.000 0.474 608 W N 2.408 123.669 121.300 -0.066 0.000 2.655 608 W HA 0.467 5.127 4.660 -0.000 0.000 0.358 608 W C 0.787 177.319 176.519 0.022 0.000 1.100 608 W CA -1.269 56.059 57.345 -0.029 0.000 1.195 608 W CB 0.387 29.843 29.460 -0.007 0.000 1.403 608 W HN 0.627 nan 8.180 nan 0.000 0.589 609 T N -2.764 111.966 114.554 0.294 0.000 2.824 609 T HA 0.229 4.579 4.350 -0.000 0.000 0.277 609 T C 1.049 175.868 174.700 0.198 0.000 0.975 609 T CA 0.022 62.233 62.100 0.185 0.000 0.966 609 T CB 0.993 69.940 68.868 0.132 0.000 1.054 609 T HN 0.329 nan 8.240 nan 0.000 0.533 610 T N 0.674 115.314 114.554 0.144 0.000 2.684 610 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 610 T C 1.466 176.256 174.700 0.150 0.000 1.036 610 T CA 1.489 63.673 62.100 0.140 0.000 1.148 610 T CB -0.555 68.373 68.868 0.100 0.000 0.863 610 T HN 0.646 nan 8.240 nan 0.000 0.436 611 D N 1.136 121.609 120.400 0.122 0.000 2.178 611 D HA -0.064 4.576 4.640 -0.000 0.000 0.201 611 D C 2.329 178.718 176.300 0.148 0.000 0.980 611 D CA 0.932 54.998 54.000 0.111 0.000 0.842 611 D CB -0.171 40.667 40.800 0.063 0.000 0.948 611 D HN 0.509 nan 8.370 nan 0.000 0.472 612 Q N 0.004 119.900 119.800 0.161 0.000 2.096 612 Q HA 0.004 4.344 4.340 -0.000 0.000 0.197 612 Q C 2.246 178.385 176.000 0.233 0.000 0.964 612 Q CA 0.737 56.632 55.803 0.153 0.000 0.838 612 Q CB 0.139 28.949 28.738 0.120 0.000 0.906 612 Q HN 0.065 nan 8.270 nan 0.000 0.444 613 S N 1.035 116.933 115.700 0.330 0.000 2.402 613 S HA -0.105 4.365 4.470 -0.000 0.000 0.229 613 S C 1.434 176.246 174.600 0.352 0.000 1.021 613 S CA 1.016 59.469 58.200 0.423 0.000 0.974 613 S CB -0.254 63.165 63.200 0.366 0.000 0.800 613 S HN 0.386 nan 8.310 nan 0.000 0.484 614 N N 0.025 118.887 118.700 0.269 0.000 2.188 614 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 614 N C 1.496 177.149 175.510 0.238 0.000 1.018 614 N CA 0.925 54.109 53.050 0.224 0.000 0.858 614 N CB -0.156 38.429 38.487 0.163 0.000 0.989 614 N HN 0.301 nan 8.380 nan 0.000 0.426 615 F N 0.798 120.824 119.950 0.126 0.000 2.186 615 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 615 F C 2.218 178.125 175.800 0.179 0.000 1.090 615 F CA 0.986 59.050 58.000 0.106 0.000 1.307 615 F CB -0.363 38.644 39.000 0.012 0.000 1.019 615 F HN 0.043 nan 8.300 nan 0.000 0.489 616 Y N 0.828 121.234 120.300 0.177 0.000 2.207 616 Y HA -0.264 4.286 4.550 -0.000 0.000 0.287 616 Y C 2.349 178.283 175.900 0.057 0.000 1.156 616 Y CA 2.339 60.512 58.100 0.121 0.000 1.182 616 Y CB -0.942 37.640 38.460 0.203 0.000 0.979 616 Y HN 0.012 nan 8.280 nan 0.000 0.521 617 T N 0.712 115.401 114.554 0.225 0.000 2.777 617 T HA -0.205 4.145 4.350 -0.000 0.000 0.266 617 T C 1.526 176.175 174.700 -0.084 0.000 1.040 617 T CA 1.508 63.672 62.100 0.106 0.000 1.141 617 T CB -0.783 68.197 68.868 0.186 0.000 0.868 617 T HN 0.478 nan 8.240 nan 0.000 0.444 618 F N 2.339 122.138 119.950 -0.250 0.000 2.069 618 F HA -0.062 4.464 4.527 -0.000 0.000 0.298 618 F C 2.464 177.923 175.800 -0.568 0.000 1.113 618 F CA 1.238 59.010 58.000 -0.381 0.000 1.214 618 F CB -0.677 38.013 39.000 -0.517 0.000 0.978 618 F HN 0.139 nan 8.300 nan 0.000 0.474 619 A N -0.113 122.391 122.820 -0.527 0.000 1.902 619 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 619 A C 2.267 179.525 177.584 -0.544 0.000 1.181 619 A CA 1.793 53.518 52.037 -0.521 0.000 0.623 619 A CB -1.128 17.689 19.000 -0.305 0.000 0.818 619 A HN 0.644 nan 8.150 nan 0.000 0.443 620 Q N -0.519 118.942 119.800 -0.564 0.000 2.084 620 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 620 Q C 2.218 177.972 176.000 -0.409 0.000 0.978 620 Q CA 1.561 57.075 55.803 -0.482 0.000 0.844 620 Q CB -0.083 28.358 28.738 -0.494 0.000 0.898 620 Q HN 0.685 nan 8.270 nan 0.000 0.426 621 R N -0.156 120.038 120.500 -0.511 0.000 2.119 621 R HA -0.075 4.265 4.340 -0.000 0.000 0.222 621 R C 2.325 178.057 176.300 -0.948 0.000 1.088 621 R CA 0.752 56.527 56.100 -0.542 0.000 0.984 621 R CB -0.192 29.881 30.300 -0.380 0.000 0.884 621 R HN 0.246 nan 8.270 nan 0.000 0.447 622 L N 1.055 121.476 121.223 -1.336 0.000 2.072 622 L HA -0.048 4.292 4.340 -0.000 0.000 0.205 622 L C 1.884 178.505 176.870 -0.415 0.000 1.079 622 L CA 1.579 55.718 54.840 -1.169 0.000 0.752 622 L CB -0.159 41.182 42.059 -1.195 0.000 0.906 622 L HN 0.064 nan 8.230 nan 0.000 0.436 623 I N -0.280 120.082 120.570 -0.347 0.000 2.252 623 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 623 I C 2.591 178.646 176.117 -0.104 0.000 1.102 623 I CA 1.066 62.266 61.300 -0.167 0.000 1.385 623 I CB -0.638 37.265 38.000 -0.163 0.000 1.064 623 I HN 0.356 nan 8.210 nan 0.000 0.414 624 A N 0.685 123.425 122.820 -0.134 0.000 1.902 624 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 624 A C 2.239 179.834 177.584 0.017 0.000 1.181 624 A CA 1.495 53.493 52.037 -0.065 0.000 0.623 624 A CB -0.973 17.988 19.000 -0.065 0.000 0.818 624 A HN 0.441 nan 8.150 nan 0.000 0.443 625 F N 0.678 120.589 119.950 -0.064 0.000 2.075 625 F HA -0.188 4.339 4.527 -0.000 0.000 0.297 625 F C 2.445 178.343 175.800 0.163 0.000 1.113 625 F CA 2.177 60.255 58.000 0.131 0.000 1.218 625 F CB -0.268 38.850 39.000 0.198 0.000 0.984 625 F HN 0.265 nan 8.300 nan 0.000 0.472 626 R N 0.795 121.453 120.500 0.263 0.000 2.096 626 R HA -0.225 4.115 4.340 -0.000 0.000 0.240 626 R C 2.115 178.424 176.300 0.014 0.000 1.139 626 R CA 2.252 58.448 56.100 0.160 0.000 0.952 626 R CB -0.458 29.918 30.300 0.125 0.000 0.854 626 R HN 0.245 nan 8.270 nan 0.000 0.436 627 K N -0.323 120.060 120.400 -0.028 0.000 2.280 627 K HA -0.069 4.251 4.320 -0.000 0.000 0.202 627 K C 1.756 178.265 176.600 -0.151 0.000 1.047 627 K CA 1.219 57.460 56.287 -0.077 0.000 0.942 627 K CB 0.033 32.489 32.500 -0.073 0.000 0.739 627 K HN 0.347 nan 8.250 nan 0.000 0.457 628 A N 0.376 123.046 122.820 -0.249 0.000 2.238 628 A HA 0.009 4.329 4.320 -0.000 0.000 0.210 628 A C -0.063 177.052 177.584 -0.782 0.000 1.179 628 A CA 0.193 51.941 52.037 -0.482 0.000 0.827 628 A CB 0.114 18.776 19.000 -0.564 0.000 0.856 628 A HN 0.185 nan 8.150 nan 0.000 0.488 629 H N -0.879 118.030 119.070 -0.269 0.000 2.953 629 H HA 0.213 4.769 4.556 -0.000 0.000 0.290 629 H C -2.341 172.937 175.328 -0.083 0.000 1.113 629 H CA -1.634 54.278 56.048 -0.227 0.000 1.454 629 H CB 1.254 30.770 29.762 -0.410 0.000 1.525 629 H HN 0.093 nan 8.280 nan 0.000 0.505 630 P HA -0.152 nan 4.420 nan 0.000 0.218 630 P C 1.515 178.877 177.300 0.103 0.000 1.146 630 P CA 1.328 64.447 63.100 0.033 0.000 0.813 630 P CB 0.338 32.041 31.700 0.005 0.000 0.778 631 A N -0.785 122.127 122.820 0.153 0.000 2.070 631 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 631 A C 1.964 179.744 177.584 0.325 0.000 1.159 631 A CA 1.251 53.428 52.037 0.233 0.000 0.656 631 A CB -1.423 17.702 19.000 0.208 0.000 0.800 631 A HN 0.190 nan 8.150 nan 0.000 0.453 632 L N -1.671 119.709 121.223 0.261 0.000 2.509 632 L HA 0.089 4.429 4.340 -0.000 0.000 0.222 632 L C 0.905 177.907 176.870 0.221 0.000 1.123 632 L CA 0.284 55.302 54.840 0.298 0.000 0.856 632 L CB -0.056 42.161 42.059 0.262 0.000 0.985 632 L HN 0.247 nan 8.230 nan 0.000 0.456 633 R N 0.935 121.515 120.500 0.134 0.000 3.026 633 R HA 0.247 4.587 4.340 -0.000 0.000 0.317 633 R C -2.433 173.865 176.300 -0.005 0.000 1.278 633 R CA -1.508 54.624 56.100 0.053 0.000 1.407 633 R CB 0.286 30.595 30.300 0.016 0.000 1.368 633 R HN -0.007 nan 8.270 nan 0.000 0.612 634 P HA -0.012 nan 4.420 nan 0.000 0.268 634 P C 0.473 177.732 177.300 -0.068 0.000 1.205 634 P CA 0.214 63.231 63.100 -0.138 0.000 0.771 634 P CB 1.496 32.916 31.700 -0.465 0.000 0.858 635 S N 0.723 116.403 115.700 -0.033 0.000 2.496 635 S HA 0.070 4.540 4.470 -0.000 0.000 0.224 635 S C 0.980 175.637 174.600 0.096 0.000 0.996 635 S CA 0.138 58.383 58.200 0.076 0.000 0.927 635 S CB -0.145 63.052 63.200 -0.005 0.000 0.774 635 S HN 0.542 nan 8.310 nan 0.000 0.524 636 S N -0.550 115.096 115.700 -0.090 0.000 2.627 636 S HA 0.566 5.035 4.470 -0.000 0.000 0.283 636 S C -1.633 172.801 174.600 -0.277 0.000 1.127 636 S CA -1.168 56.907 58.200 -0.210 0.000 0.863 636 S CB 0.499 63.683 63.200 -0.027 0.000 1.121 636 S HN 0.483 nan 8.310 nan 0.000 0.479 637 W N 2.367 123.658 121.300 -0.014 0.000 2.343 637 W HA 0.133 4.793 4.660 -0.000 0.000 0.337 637 W C -0.208 176.331 176.519 0.032 0.000 1.320 637 W CA -0.021 57.318 57.345 -0.010 0.000 1.290 637 W CB -0.133 29.357 29.460 0.049 0.000 1.206 637 W HN 0.517 nan 8.180 nan 0.000 0.565 638 Y N 2.590 123.083 120.300 0.321 0.000 2.717 638 Y HA -0.005 4.545 4.550 -0.000 0.000 0.330 638 Y C 1.308 177.334 175.900 0.210 0.000 1.217 638 Y CA 0.038 58.270 58.100 0.220 0.000 1.506 638 Y CB -0.005 38.570 38.460 0.191 0.000 1.268 638 Y HN 0.377 nan 8.280 nan 0.000 0.561 639 S N 1.091 116.992 115.700 0.335 0.000 2.655 639 S HA 0.386 4.856 4.470 -0.000 0.000 0.265 639 S C 1.476 176.196 174.600 0.201 0.000 1.240 639 S CA -0.442 57.897 58.200 0.232 0.000 0.986 639 S CB 1.240 64.547 63.200 0.179 0.000 0.985 639 S HN 0.860 nan 8.310 nan 0.000 0.562 640 G N 0.519 109.413 108.800 0.156 0.000 2.432 640 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.219 640 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.219 640 G C 1.530 176.494 174.900 0.106 0.000 1.135 640 G CA 0.895 46.073 45.100 0.130 0.000 0.767 640 G HN 1.023 nan 8.290 nan 0.000 0.550 641 S N -0.350 115.414 115.700 0.107 0.000 2.470 641 S HA 0.016 4.486 4.470 -0.000 0.000 0.225 641 S C 2.062 176.720 174.600 0.097 0.000 1.006 641 S CA 0.900 59.157 58.200 0.095 0.000 0.934 641 S CB -0.073 63.181 63.200 0.090 0.000 0.778 641 S HN 0.504 nan 8.310 nan 0.000 0.517 642 Q N 0.142 120.013 119.800 0.118 0.000 2.212 642 Q HA 0.375 4.715 4.340 -0.000 0.000 0.199 642 Q C 0.233 176.247 176.000 0.022 0.000 0.950 642 Q CA 0.531 56.407 55.803 0.121 0.000 0.863 642 Q CB 0.195 29.072 28.738 0.231 0.000 0.944 642 Q HN 0.536 nan 8.270 nan 0.000 0.465 643 L N 0.239 121.443 121.223 -0.031 0.000 2.436 643 L HA 0.440 4.780 4.340 -0.000 0.000 0.268 643 L C -1.450 175.314 176.870 -0.177 0.000 0.974 643 L CA -0.362 54.357 54.840 -0.202 0.000 0.826 643 L CB 2.522 44.308 42.059 -0.455 0.000 1.291 643 L HN -0.189 nan 8.230 nan 0.000 0.406 644 T N 2.318 116.742 114.554 -0.216 0.000 2.848 644 T HA 0.395 4.745 4.350 -0.000 0.000 0.285 644 T C -1.258 173.193 174.700 -0.416 0.000 0.995 644 T CA -0.163 61.784 62.100 -0.254 0.000 0.970 644 T CB 0.809 69.545 68.868 -0.221 0.000 0.976 644 T HN 0.438 nan 8.240 nan 0.000 0.441 645 W N 2.454 123.691 121.300 -0.106 0.000 2.351 645 W HA 0.562 5.221 4.660 -0.000 0.000 0.311 645 W C -0.601 175.731 176.519 -0.312 0.000 1.168 645 W CA -0.579 56.770 57.345 0.006 0.000 1.200 645 W CB 0.592 30.245 29.460 0.322 0.000 1.221 645 W HN 0.582 nan 8.180 nan 0.000 0.519 646 Y N 1.669 122.127 120.300 0.264 0.000 2.446 646 Y HA 0.300 4.850 4.550 -0.000 0.000 0.345 646 Y C 0.500 176.355 175.900 -0.075 0.000 0.984 646 Y CA -1.287 56.866 58.100 0.087 0.000 1.058 646 Y CB 1.491 40.058 38.460 0.179 0.000 1.220 646 Y HN 0.338 nan 8.280 nan 0.000 0.455 647 Q N 3.791 123.507 119.800 -0.140 0.000 2.318 647 Q HA 0.209 4.549 4.340 -0.000 0.000 0.222 647 Q C -1.752 174.188 176.000 -0.101 0.000 1.003 647 Q CA -1.837 53.675 55.803 -0.485 0.000 0.936 647 Q CB 0.572 28.895 28.738 -0.692 0.000 1.204 647 Q HN 0.377 nan 8.270 nan 0.000 0.524 648 P HA -0.183 nan 4.420 nan 0.000 0.218 648 P C 1.073 178.292 177.300 -0.135 0.000 1.148 648 P CA 1.474 64.373 63.100 -0.336 0.000 0.822 648 P CB 0.104 31.427 31.700 -0.628 0.000 0.784 649 S N -1.648 113.989 115.700 -0.105 0.000 2.537 649 S HA 0.053 4.523 4.470 -0.000 0.000 0.240 649 S C 1.773 176.374 174.600 0.002 0.000 0.981 649 S CA 0.916 59.086 58.200 -0.050 0.000 0.948 649 S CB -1.517 61.653 63.200 -0.050 0.000 0.759 649 S HN 0.311 nan 8.310 nan 0.000 0.531 650 G N 0.307 109.134 108.800 0.045 0.000 2.176 650 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.253 650 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.253 650 G C 0.194 175.196 174.900 0.171 0.000 0.979 650 G CA -0.016 45.121 45.100 0.061 0.000 0.641 650 G HN 1.353 nan 8.290 nan 0.000 0.530 651 A N 0.137 123.033 122.820 0.127 0.000 2.316 651 A HA 0.755 5.075 4.320 -0.000 0.000 0.284 651 A C 0.756 178.409 177.584 0.115 0.000 1.115 651 A CA 0.089 52.193 52.037 0.112 0.000 0.812 651 A CB 1.172 20.180 19.000 0.013 0.000 1.064 651 A HN 1.184 nan 8.150 nan 0.000 0.489 652 V N 1.817 121.770 119.914 0.065 0.000 2.617 652 V HA 0.214 4.334 4.120 -0.000 0.000 0.304 652 V C 1.214 177.211 176.094 -0.163 0.000 1.040 652 V CA 0.451 62.689 62.300 -0.103 0.000 1.149 652 V CB 0.410 32.183 31.823 -0.084 0.000 0.914 652 V HN 1.074 nan 8.190 nan 0.000 0.487 653 A N 4.848 127.511 122.820 -0.262 0.000 2.515 653 A HA 0.387 4.707 4.320 -0.000 0.000 0.263 653 A C 0.252 177.631 177.584 -0.342 0.000 1.096 653 A CA -0.368 51.341 52.037 -0.547 0.000 0.769 653 A CB -0.397 18.088 19.000 -0.859 0.000 1.040 653 A HN 1.012 nan 8.150 nan 0.000 0.505 654 D N 1.205 121.459 120.400 -0.244 0.000 2.569 654 D HA 0.413 5.053 4.640 -0.000 0.000 0.266 654 D C 1.262 177.608 176.300 0.076 0.000 1.164 654 D CA 0.031 54.023 54.000 -0.012 0.000 1.071 654 D CB 0.091 40.903 40.800 0.020 0.000 1.183 654 D HN 0.313 nan 8.370 nan 0.000 0.613 655 S N -0.526 115.291 115.700 0.196 0.000 2.382 655 S HA -0.223 4.246 4.470 -0.000 0.000 0.228 655 S C 1.399 176.083 174.600 0.141 0.000 1.027 655 S CA 0.761 59.101 58.200 0.233 0.000 0.991 655 S CB -0.758 62.534 63.200 0.153 0.000 0.823 655 S HN 0.479 nan 8.310 nan 0.000 0.469 656 N N 0.668 119.413 118.700 0.075 0.000 2.166 656 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 656 N C 1.503 177.010 175.510 -0.004 0.000 1.019 656 N CA 1.553 54.621 53.050 0.029 0.000 0.856 656 N CB -0.471 38.027 38.487 0.019 0.000 0.993 656 N HN 0.567 nan 8.380 nan 0.000 0.426 657 Y N 0.169 120.389 120.300 -0.133 0.000 2.153 657 Y HA -0.132 4.418 4.550 -0.000 0.000 0.289 657 Y C 2.099 177.903 175.900 -0.160 0.000 1.127 657 Y CA 1.407 59.367 58.100 -0.234 0.000 1.131 657 Y CB -0.604 37.598 38.460 -0.429 0.000 0.995 657 Y HN 0.035 nan 8.280 nan 0.000 0.505 658 W N 0.558 121.891 121.300 0.056 0.000 2.338 658 W HA -0.215 4.445 4.660 -0.000 0.000 0.304 658 W C 1.828 178.288 176.519 -0.098 0.000 1.212 658 W CA 1.351 58.677 57.345 -0.032 0.000 1.264 658 W CB -0.486 28.963 29.460 -0.018 0.000 1.142 658 W HN 0.089 nan 8.180 nan 0.000 0.512 659 N N -0.097 118.693 118.700 0.151 0.000 2.398 659 N HA -0.071 4.669 4.740 -0.000 0.000 0.188 659 N C 0.165 175.649 175.510 -0.042 0.000 1.122 659 N CA -0.157 52.925 53.050 0.053 0.000 0.866 659 N CB -0.150 38.365 38.487 0.046 0.000 0.970 659 N HN -0.090 nan 8.380 nan 0.000 0.462 660 N N 0.717 119.331 118.700 -0.142 0.000 2.437 660 N HA 0.084 4.824 4.740 -0.000 0.000 0.243 660 N C 0.225 175.548 175.510 -0.311 0.000 1.041 660 N CA 0.223 53.133 53.050 -0.234 0.000 0.940 660 N CB 0.866 39.166 38.487 -0.312 0.000 1.133 660 N HN -0.166 nan 8.380 nan 0.000 0.506 661 T N 1.217 115.618 114.554 -0.254 0.000 3.155 661 T HA 0.006 4.356 4.350 -0.000 0.000 0.264 661 T C 0.672 175.081 174.700 -0.484 0.000 1.160 661 T CA 0.885 62.791 62.100 -0.323 0.000 1.075 661 T CB 0.044 68.766 68.868 -0.244 0.000 0.921 661 T HN 0.400 nan 8.240 nan 0.000 0.533 662 S N 1.388 116.767 115.700 -0.536 0.000 2.593 662 S HA 0.233 4.703 4.470 -0.000 0.000 0.236 662 S C 0.178 174.218 174.600 -0.935 0.000 0.991 662 S CA -0.509 57.279 58.200 -0.687 0.000 0.963 662 S CB 0.206 63.184 63.200 -0.369 0.000 0.865 662 S HN 0.314 nan 8.310 nan 0.000 0.488 663 N N 1.195 119.356 118.700 -0.897 0.000 2.437 663 N HA 0.323 5.063 4.740 -0.000 0.000 0.259 663 N C -0.683 174.452 175.510 -0.626 0.000 0.983 663 N CA -0.194 52.411 53.050 -0.742 0.000 0.937 663 N CB 0.849 38.752 38.487 -0.974 0.000 1.122 663 N HN 0.188 nan 8.380 nan 0.000 0.499 664 Y N -0.451 119.805 120.300 -0.074 0.000 2.445 664 Y HA 0.426 4.976 4.550 -0.000 0.000 0.247 664 Y C 0.920 176.879 175.900 0.098 0.000 1.129 664 Y CA -0.490 57.642 58.100 0.053 0.000 1.251 664 Y CB 0.491 39.036 38.460 0.142 0.000 1.176 664 Y HN 0.430 nan 8.280 nan 0.000 0.522 665 A N 0.805 123.773 122.820 0.246 0.000 2.324 665 A HA 0.741 5.061 4.320 -0.000 0.000 0.330 665 A C -1.162 176.679 177.584 0.429 0.000 1.165 665 A CA -0.472 51.748 52.037 0.305 0.000 0.813 665 A CB 0.839 19.954 19.000 0.192 0.000 1.197 665 A HN 0.176 nan 8.150 nan 0.000 0.484 666 I N 0.288 121.191 120.570 0.555 0.000 2.841 666 I HA 0.744 4.914 4.170 -0.000 0.000 0.298 666 I C -0.473 176.019 176.117 0.625 0.000 1.304 666 I CA 0.027 61.679 61.300 0.585 0.000 1.019 666 I CB 2.066 40.454 38.000 0.647 0.000 1.282 666 I HN 1.120 nan 8.210 nan 0.000 0.432 667 A N 4.821 127.976 122.820 0.558 0.000 2.566 667 A HA 0.938 5.258 4.320 -0.000 0.000 0.292 667 A C -1.991 175.820 177.584 0.378 0.000 1.112 667 A CA -0.423 51.759 52.037 0.242 0.000 0.707 667 A CB 1.492 20.511 19.000 0.031 0.000 1.302 667 A HN 1.215 nan 8.150 nan 0.000 0.409 668 Y N -2.387 117.783 120.300 -0.217 0.000 2.609 668 Y HA 0.844 5.394 4.550 -0.000 0.000 0.336 668 Y C -0.543 175.228 175.900 -0.215 0.000 1.129 668 Y CA -0.988 56.974 58.100 -0.230 0.000 1.040 668 Y CB 1.103 39.118 38.460 -0.741 0.000 1.310 668 Y HN 1.353 nan 8.280 nan 0.000 0.460 669 A N 2.581 125.490 122.820 0.149 0.000 2.393 669 A HA 0.847 5.167 4.320 -0.000 0.000 0.306 669 A C -1.577 176.083 177.584 0.127 0.000 1.050 669 A CA -0.831 51.319 52.037 0.188 0.000 0.724 669 A CB 0.975 20.260 19.000 0.475 0.000 1.248 669 A HN 0.738 nan 8.150 nan 0.000 0.424 670 I N 1.839 122.475 120.570 0.111 0.000 2.474 670 I HA 0.262 4.431 4.170 -0.000 0.000 0.294 670 I C -0.038 176.154 176.117 0.126 0.000 1.005 670 I CA -0.833 60.497 61.300 0.050 0.000 1.113 670 I CB 1.939 39.945 38.000 0.009 0.000 1.289 670 I HN 0.647 nan 8.210 nan 0.000 0.436 671 N N 4.484 123.250 118.700 0.110 0.000 2.421 671 N HA 0.065 4.805 4.740 -0.000 0.000 0.260 671 N C 0.999 176.578 175.510 0.115 0.000 1.173 671 N CA 0.281 53.399 53.050 0.114 0.000 0.960 671 N CB 1.311 39.859 38.487 0.103 0.000 1.273 671 N HN 0.888 nan 8.380 nan 0.000 0.497 672 G N 4.788 113.654 108.800 0.111 0.000 2.514 672 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 672 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 672 G C -0.857 174.097 174.900 0.090 0.000 1.198 672 G CA 0.506 45.672 45.100 0.110 0.000 0.780 672 G HN 0.509 nan 8.290 nan 0.000 0.565 673 P HA -0.093 nan 4.420 nan 0.000 0.218 673 P C 2.286 179.621 177.300 0.058 0.000 1.148 673 P CA 1.990 65.121 63.100 0.051 0.000 0.822 673 P CB -0.143 31.578 31.700 0.036 0.000 0.784 674 S N -1.563 114.181 115.700 0.075 0.000 2.453 674 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 674 S C 1.463 176.117 174.600 0.091 0.000 1.005 674 S CA 0.871 59.119 58.200 0.081 0.000 0.949 674 S CB -0.842 62.415 63.200 0.096 0.000 0.774 674 S HN -0.015 nan 8.310 nan 0.000 0.510 675 L N 1.156 122.441 121.223 0.103 0.000 2.769 675 L HA 0.405 4.745 4.340 -0.000 0.000 0.240 675 L C 1.636 178.547 176.870 0.068 0.000 1.163 675 L CA 0.901 55.804 54.840 0.105 0.000 0.962 675 L CB -0.924 41.233 42.059 0.162 0.000 1.258 675 L HN 0.596 nan 8.230 nan 0.000 0.513 676 G N 0.070 108.901 108.800 0.052 0.000 2.143 676 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.249 676 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.249 676 G C 0.299 175.211 174.900 0.022 0.000 0.981 676 G CA 0.379 45.495 45.100 0.027 0.000 0.665 676 G HN 0.381 nan 8.290 nan 0.000 0.528 677 D N -0.171 120.258 120.400 0.048 0.000 2.348 677 D HA 0.547 5.186 4.640 -0.000 0.000 0.249 677 D C 1.824 178.153 176.300 0.048 0.000 1.110 677 D CA 0.319 54.354 54.000 0.058 0.000 0.967 677 D CB 1.270 42.142 40.800 0.119 0.000 1.139 677 D HN 0.247 nan 8.370 nan 0.000 0.466 678 S N 0.745 116.475 115.700 0.051 0.000 2.503 678 S HA 0.093 4.562 4.470 -0.000 0.000 0.217 678 S C 0.321 174.952 174.600 0.052 0.000 0.999 678 S CA -0.175 58.044 58.200 0.032 0.000 0.914 678 S CB 0.141 63.341 63.200 -0.000 0.000 0.782 678 S HN 0.417 nan 8.310 nan 0.000 0.520 679 N N 0.287 119.047 118.700 0.101 0.000 2.321 679 N HA 0.579 5.319 4.740 -0.000 0.000 0.290 679 N C -1.475 174.088 175.510 0.089 0.000 1.212 679 N CA -0.561 52.533 53.050 0.075 0.000 0.767 679 N CB 1.965 40.504 38.487 0.086 0.000 1.494 679 N HN -0.047 nan 8.380 nan 0.000 0.479 680 S N 0.430 116.179 115.700 0.081 0.000 2.646 680 S HA 0.653 5.123 4.470 -0.000 0.000 0.276 680 S C -0.353 174.415 174.600 0.279 0.000 1.222 680 S CA -0.681 57.608 58.200 0.149 0.000 1.014 680 S CB 0.424 63.691 63.200 0.113 0.000 0.991 680 S HN 0.525 nan 8.310 nan 0.000 0.533 681 I N 0.584 121.334 120.570 0.300 0.000 2.828 681 I HA 0.739 4.908 4.170 -0.000 0.000 0.302 681 I C -1.869 174.342 176.117 0.157 0.000 1.101 681 I CA -0.992 60.473 61.300 0.274 0.000 1.031 681 I CB 1.938 40.019 38.000 0.135 0.000 1.231 681 I HN 0.675 nan 8.210 nan 0.000 0.427 682 Y N 5.632 125.767 120.300 -0.275 0.000 2.373 682 Y HA 0.749 5.298 4.550 -0.000 0.000 0.336 682 Y C -1.793 173.736 175.900 -0.618 0.000 0.979 682 Y CA -0.648 57.086 58.100 -0.611 0.000 1.080 682 Y CB 1.816 39.531 38.460 -1.243 0.000 1.190 682 Y HN 0.474 nan 8.280 nan 0.000 0.446 683 V N 5.299 124.517 119.914 -1.161 0.000 2.604 683 V HA 0.904 5.024 4.120 -0.000 0.000 0.305 683 V C -0.593 174.892 176.094 -1.016 0.000 1.043 683 V CA -0.552 61.160 62.300 -0.980 0.000 0.888 683 V CB 1.413 32.599 31.823 -1.062 0.000 0.995 683 V HN 0.926 nan 8.190 nan 0.000 0.429 684 A N 3.869 126.282 122.820 -0.679 0.000 2.356 684 A HA 0.785 5.105 4.320 -0.000 0.000 0.310 684 A C -1.720 175.766 177.584 -0.165 0.000 1.075 684 A CA -0.517 51.170 52.037 -0.582 0.000 0.746 684 A CB 1.283 19.639 19.000 -1.074 0.000 1.221 684 A HN 0.885 nan 8.150 nan 0.000 0.443 685 Y N 2.560 122.880 120.300 0.033 0.000 2.328 685 Y HA 0.403 4.952 4.550 -0.000 0.000 0.333 685 Y C -0.227 175.924 175.900 0.418 0.000 0.958 685 Y CA -1.265 56.993 58.100 0.263 0.000 1.167 685 Y CB 1.343 40.102 38.460 0.497 0.000 1.151 685 Y HN 0.724 nan 8.280 nan 0.000 0.470 686 N N 4.032 122.718 118.700 -0.023 0.000 2.645 686 N HA 0.216 4.956 4.740 -0.000 0.000 0.233 686 N C 0.708 175.999 175.510 -0.365 0.000 1.058 686 N CA 0.115 53.193 53.050 0.047 0.000 0.942 686 N CB 0.470 39.139 38.487 0.303 0.000 1.210 686 N HN 1.030 nan 8.380 nan 0.000 0.512 687 G N 2.983 111.434 108.800 -0.582 0.000 3.124 687 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.212 687 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.212 687 G C -0.055 174.893 174.900 0.080 0.000 1.181 687 G CA -0.478 44.390 45.100 -0.386 0.000 0.803 687 G HN 0.601 nan 8.290 nan 0.000 0.529 688 W N 1.239 122.508 121.300 -0.052 0.000 2.448 688 W HA 0.322 4.982 4.660 -0.000 0.000 0.339 688 W C 1.181 177.694 176.519 -0.011 0.000 1.124 688 W CA -0.390 56.945 57.345 -0.017 0.000 1.262 688 W CB 1.639 31.146 29.460 0.078 0.000 1.251 688 W HN 0.147 nan 8.180 nan 0.000 0.597 689 S N 1.752 116.893 115.700 -0.931 0.000 2.515 689 S HA -0.010 4.460 4.470 -0.000 0.000 0.231 689 S C 0.453 174.708 174.600 -0.575 0.000 0.987 689 S CA 0.327 58.095 58.200 -0.720 0.000 0.936 689 S CB -0.106 62.622 63.200 -0.786 0.000 0.766 689 S HN 0.284 nan 8.310 nan 0.000 0.528 690 S N 0.603 115.863 115.700 -0.733 0.000 2.677 690 S HA 0.564 5.034 4.470 -0.000 0.000 0.304 690 S C -0.303 174.397 174.600 0.165 0.000 1.108 690 S CA -0.702 57.404 58.200 -0.157 0.000 0.944 690 S CB 1.647 64.848 63.200 0.001 0.000 1.127 690 S HN 0.246 nan 8.310 nan 0.000 0.511 691 S N 0.902 116.703 115.700 0.169 0.000 2.552 691 S HA 0.294 4.764 4.470 -0.000 0.000 0.289 691 S C -0.565 174.184 174.600 0.247 0.000 1.304 691 S CA -0.142 58.179 58.200 0.202 0.000 1.063 691 S CB -0.151 63.133 63.200 0.141 0.000 0.848 691 S HN 0.427 nan 8.310 nan 0.000 0.499 692 V N 4.324 124.391 119.914 0.255 0.000 2.656 692 V HA 0.388 4.508 4.120 -0.000 0.000 0.307 692 V C -0.013 176.178 176.094 0.161 0.000 1.051 692 V CA -0.823 61.570 62.300 0.156 0.000 0.893 692 V CB 2.440 34.320 31.823 0.094 0.000 0.999 692 V HN 0.831 nan 8.190 nan 0.000 0.426 693 T N 5.212 119.790 114.554 0.040 0.000 2.744 693 T HA 0.573 4.923 4.350 -0.000 0.000 0.291 693 T C -0.615 174.103 174.700 0.029 0.000 0.957 693 T CA 0.084 62.245 62.100 0.103 0.000 1.002 693 T CB 0.062 68.959 68.868 0.048 0.000 0.919 693 T HN 0.284 nan 8.240 nan 0.000 0.468 694 F N 2.064 122.083 119.950 0.115 0.000 2.408 694 F HA 0.342 4.869 4.527 -0.000 0.000 0.344 694 F C 1.199 177.015 175.800 0.026 0.000 1.112 694 F CA -0.773 57.280 58.000 0.088 0.000 1.096 694 F CB 1.231 40.311 39.000 0.133 0.000 1.129 694 F HN 0.332 nan 8.300 nan 0.000 0.486 695 T N 5.461 120.095 114.554 0.132 0.000 2.733 695 T HA 0.402 4.752 4.350 -0.000 0.000 0.294 695 T C 0.162 174.829 174.700 -0.054 0.000 0.956 695 T CA -0.578 61.542 62.100 0.033 0.000 0.987 695 T CB 0.124 68.997 68.868 0.009 0.000 0.920 695 T HN 0.285 nan 8.240 nan 0.000 0.470 696 L N 6.971 128.103 121.223 -0.151 0.000 2.455 696 L HA 0.257 4.597 4.340 -0.000 0.000 0.272 696 L C -1.450 175.297 176.870 -0.206 0.000 1.174 696 L CA -1.605 53.009 54.840 -0.377 0.000 0.869 696 L CB 0.061 41.874 42.059 -0.409 0.000 1.130 696 L HN 0.362 nan 8.230 nan 0.000 0.474 697 P HA 0.194 nan 4.420 nan 0.000 0.293 697 P C -0.979 176.397 177.300 0.127 0.000 1.304 697 P CA -0.659 62.346 63.100 -0.159 0.000 0.767 697 P CB 0.802 32.153 31.700 -0.582 0.000 1.247 698 A N 0.477 123.360 122.820 0.105 0.000 2.409 698 A HA 0.437 4.756 4.320 -0.000 0.000 0.267 698 A C -2.111 175.521 177.584 0.079 0.000 1.127 698 A CA -1.325 50.756 52.037 0.074 0.000 0.795 698 A CB -1.429 17.598 19.000 0.045 0.000 1.061 698 A HN 0.347 nan 8.150 nan 0.000 0.502 699 P HA 0.129 nan 4.420 nan 0.000 0.264 699 P C -1.949 175.250 177.300 -0.169 0.000 1.193 699 P CA -0.764 62.027 63.100 -0.515 0.000 0.763 699 P CB 0.282 31.343 31.700 -1.066 0.000 0.810 700 P HA -0.104 nan 4.420 nan 0.000 0.218 700 P C 0.111 177.397 177.300 -0.024 0.000 1.149 700 P CA 1.332 64.457 63.100 0.041 0.000 0.817 700 P CB 0.201 31.971 31.700 0.117 0.000 0.785 701 S N -2.436 113.210 115.700 -0.091 0.000 2.569 701 S HA 0.691 5.161 4.470 -0.000 0.000 0.280 701 S C 0.108 174.608 174.600 -0.167 0.000 1.111 701 S CA -0.186 57.962 58.200 -0.086 0.000 0.887 701 S CB 1.668 64.846 63.200 -0.038 0.000 1.095 701 S HN 0.395 nan 8.310 nan 0.000 0.476 702 G N 1.242 109.967 108.800 -0.125 0.000 2.741 702 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.222 702 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.222 702 G C 0.436 175.234 174.900 -0.170 0.000 1.364 702 G CA 0.720 45.738 45.100 -0.137 0.000 0.866 702 G HN 2.112 nan 8.290 nan 0.000 0.555 703 T N -3.345 111.118 114.554 -0.151 0.000 2.964 703 T HA 0.470 4.820 4.350 -0.000 0.000 0.250 703 T C 0.784 175.360 174.700 -0.207 0.000 0.982 703 T CA 1.320 63.329 62.100 -0.152 0.000 0.959 703 T CB 0.532 69.355 68.868 -0.074 0.000 1.141 703 T HN 0.797 nan 8.240 nan 0.000 0.494 704 Q N -0.598 119.097 119.800 -0.174 0.000 2.451 704 Q HA 0.498 4.838 4.340 -0.000 0.000 0.281 704 Q C -1.791 174.104 176.000 -0.176 0.000 1.099 704 Q CA -0.975 54.713 55.803 -0.192 0.000 0.806 704 Q CB 2.236 30.907 28.738 -0.112 0.000 1.419 704 Q HN 0.427 nan 8.270 nan 0.000 0.427 705 W N 0.959 122.194 121.300 -0.107 0.000 2.365 705 W HA 0.440 5.100 4.660 -0.000 0.000 0.316 705 W C -0.787 175.597 176.519 -0.224 0.000 1.164 705 W CA -0.328 56.970 57.345 -0.078 0.000 1.204 705 W CB 0.763 30.119 29.460 -0.174 0.000 1.213 705 W HN 0.470 nan 8.180 nan 0.000 0.539 706 Y N 1.802 122.237 120.300 0.226 0.000 2.376 706 Y HA 0.355 4.905 4.550 -0.000 0.000 0.340 706 Y C 0.286 176.220 175.900 0.057 0.000 0.965 706 Y CA -1.697 56.471 58.100 0.112 0.000 1.078 706 Y CB 1.466 39.972 38.460 0.078 0.000 1.193 706 Y HN 0.275 nan 8.280 nan 0.000 0.452 707 R N 2.019 122.591 120.500 0.119 0.000 2.347 707 R HA 0.346 4.685 4.340 -0.000 0.000 0.304 707 R C -0.280 175.984 176.300 -0.059 0.000 1.072 707 R CA 0.104 56.204 56.100 0.000 0.000 0.980 707 R CB 0.614 30.938 30.300 0.040 0.000 0.986 707 R HN 0.752 nan 8.270 nan 0.000 0.448 708 V N 2.548 122.327 119.914 -0.226 0.000 2.672 708 V HA 0.090 4.210 4.120 -0.000 0.000 0.242 708 V C 0.839 176.511 176.094 -0.704 0.000 1.059 708 V CA 1.083 63.103 62.300 -0.467 0.000 1.081 708 V CB 0.726 32.156 31.823 -0.656 0.000 0.752 708 V HN 0.870 nan 8.190 nan 0.000 0.472 709 T N -0.929 113.291 114.554 -0.556 0.000 2.840 709 T HA 0.410 4.760 4.350 -0.000 0.000 0.317 709 T C -2.454 172.106 174.700 -0.232 0.000 1.401 709 T CA -0.454 61.400 62.100 -0.410 0.000 1.028 709 T CB 1.923 70.542 68.868 -0.415 0.000 1.317 709 T HN 0.219 nan 8.240 nan 0.000 0.495 710 D N 1.082 121.380 120.400 -0.170 0.000 2.616 710 D HA 0.258 4.898 4.640 -0.000 0.000 0.238 710 D C 1.203 177.360 176.300 -0.239 0.000 1.354 710 D CA -0.190 53.720 54.000 -0.150 0.000 0.970 710 D CB 1.862 42.645 40.800 -0.028 0.000 1.369 710 D HN 0.619 nan 8.370 nan 0.000 0.585 711 T N -0.346 114.103 114.554 -0.175 0.000 3.113 711 T HA 0.012 4.362 4.350 -0.000 0.000 0.263 711 T C 1.267 175.797 174.700 -0.285 0.000 1.143 711 T CA 0.089 62.048 62.100 -0.234 0.000 1.090 711 T CB -0.680 68.066 68.868 -0.204 0.000 0.922 711 T HN 0.395 nan 8.240 nan 0.000 0.521 712 c N 3.046 121.474 118.600 -0.286 0.000 2.692 712 c HA 0.028 4.598 4.570 -0.000 0.000 0.409 712 c C 1.927 175.781 174.090 -0.392 0.000 1.284 712 c CA -0.318 55.845 56.329 -0.276 0.000 1.909 712 c CB -0.040 42.373 42.510 -0.160 0.000 2.713 712 c HN 0.545 nan 8.230 nan 0.000 0.649 713 D N 1.134 121.418 120.400 -0.192 0.000 2.133 713 D HA -0.145 4.494 4.640 -0.000 0.000 0.195 713 D C 1.970 178.203 176.300 -0.113 0.000 0.997 713 D CA 1.637 55.559 54.000 -0.130 0.000 0.840 713 D CB -0.320 40.465 40.800 -0.026 0.000 0.947 713 D HN 0.933 nan 8.370 nan 0.000 0.452 714 W N 1.001 122.299 121.300 -0.004 0.000 2.392 714 W HA -0.065 4.595 4.660 -0.000 0.000 0.279 714 W C 1.099 177.623 176.519 0.008 0.000 1.225 714 W CA 0.395 57.741 57.345 0.002 0.000 1.233 714 W CB -0.883 28.578 29.460 0.003 0.000 1.122 714 W HN -0.095 nan 8.180 nan 0.000 0.561 715 N N 1.555 119.723 118.700 -0.886 0.000 2.322 715 N HA -0.035 4.705 4.740 -0.000 0.000 0.194 715 N C -0.880 174.420 175.510 -0.349 0.000 1.126 715 N CA 0.035 52.587 53.050 -0.829 0.000 0.845 715 N CB -0.482 37.138 38.487 -1.445 0.000 0.976 715 N HN 0.104 nan 8.380 nan 0.000 0.475 716 D N -0.603 119.658 120.400 -0.231 0.000 2.417 716 D HA 0.449 5.089 4.640 -0.000 0.000 0.250 716 D C 0.613 176.886 176.300 -0.046 0.000 1.166 716 D CA 0.638 54.559 54.000 -0.131 0.000 0.881 716 D CB 0.360 41.099 40.800 -0.101 0.000 1.164 716 D HN 0.306 nan 8.370 nan 0.000 0.467 717 G N 1.542 110.333 108.800 -0.014 0.000 2.367 717 G HA2 0.360 4.320 3.960 -0.000 0.000 0.272 717 G HA3 0.360 4.320 3.960 -0.000 0.000 0.272 717 G C 0.117 175.056 174.900 0.065 0.000 1.271 717 G CA -0.046 45.075 45.100 0.034 0.000 0.893 717 G HN 0.575 nan 8.290 nan 0.000 0.485 718 A N -0.666 122.204 122.820 0.083 0.000 2.021 718 A HA 0.439 4.759 4.320 -0.000 0.000 0.216 718 A C 1.790 179.443 177.584 0.114 0.000 1.163 718 A CA 2.290 54.392 52.037 0.109 0.000 0.676 718 A CB -0.151 18.914 19.000 0.107 0.000 0.818 718 A HN 1.094 nan 8.150 nan 0.000 0.453 719 S N -0.591 115.167 115.700 0.096 0.000 2.561 719 S HA 0.077 4.547 4.470 -0.000 0.000 0.245 719 S C 1.433 176.084 174.600 0.084 0.000 1.001 719 S CA 0.451 58.710 58.200 0.099 0.000 1.002 719 S CB -0.027 63.225 63.200 0.086 0.000 0.805 719 S HN 0.714 nan 8.310 nan 0.000 0.458 720 T N 0.116 114.724 114.554 0.090 0.000 2.881 720 T HA 0.022 4.372 4.350 -0.000 0.000 0.270 720 T C 0.171 174.942 174.700 0.118 0.000 1.068 720 T CA 0.826 62.952 62.100 0.043 0.000 1.131 720 T CB -0.256 68.589 68.868 -0.038 0.000 0.871 720 T HN 0.286 nan 8.240 nan 0.000 0.479 721 F N 3.578 123.574 119.950 0.077 0.000 2.402 721 F HA 0.548 5.075 4.527 -0.000 0.000 0.355 721 F C -0.044 175.738 175.800 -0.030 0.000 1.123 721 F CA -1.793 56.187 58.000 -0.034 0.000 1.021 721 F CB 1.441 40.309 39.000 -0.220 0.000 1.160 721 F HN 0.104 nan 8.300 nan 0.000 0.451 722 V N 3.484 123.324 119.914 -0.124 0.000 3.003 722 V HA 0.765 4.885 4.120 -0.000 0.000 0.305 722 V C 0.296 176.472 176.094 0.138 0.000 1.078 722 V CA -0.587 61.725 62.300 0.020 0.000 1.083 722 V CB 0.636 32.443 31.823 -0.026 0.000 1.039 722 V HN 0.967 nan 8.190 nan 0.000 0.481 723 A N 3.863 126.757 122.820 0.124 0.000 2.340 723 A HA 0.689 5.009 4.320 -0.000 0.000 0.268 723 A C -2.173 175.483 177.584 0.121 0.000 1.100 723 A CA -1.686 50.431 52.037 0.134 0.000 0.803 723 A CB -0.473 18.585 19.000 0.097 0.000 1.043 723 A HN 0.888 nan 8.150 nan 0.000 0.488 724 P HA 0.194 nan 4.420 nan 0.000 0.261 724 P C 1.054 178.396 177.300 0.071 0.000 1.173 724 P CA 2.104 65.277 63.100 0.122 0.000 0.760 724 P CB 0.499 32.263 31.700 0.106 0.000 0.783 725 G N 2.133 110.964 108.800 0.052 0.000 2.217 725 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.246 725 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.246 725 G C 0.788 175.707 174.900 0.031 0.000 0.990 725 G CA 0.271 45.384 45.100 0.020 0.000 0.627 725 G HN 0.502 nan 8.290 nan 0.000 0.522 726 S N 0.985 116.717 115.700 0.052 0.000 2.561 726 S HA 0.392 4.862 4.470 -0.000 0.000 0.245 726 S C 0.233 174.879 174.600 0.077 0.000 1.001 726 S CA -0.155 58.083 58.200 0.063 0.000 1.002 726 S CB 0.545 63.783 63.200 0.062 0.000 0.805 726 S HN 0.595 nan 8.310 nan 0.000 0.458 727 E N 2.358 122.611 120.200 0.088 0.000 2.360 727 E HA 0.183 4.533 4.350 -0.000 0.000 0.269 727 E C -0.107 176.637 176.600 0.239 0.000 1.022 727 E CA 0.272 56.753 56.400 0.136 0.000 0.887 727 E CB 0.302 30.097 29.700 0.159 0.000 0.990 727 E HN -0.003 nan 8.360 nan 0.000 0.426 728 T N 3.723 118.390 114.554 0.187 0.000 2.749 728 T HA 0.108 4.458 4.350 -0.000 0.000 0.295 728 T C 0.117 174.873 174.700 0.093 0.000 0.936 728 T CA -0.692 61.501 62.100 0.155 0.000 1.060 728 T CB 0.348 69.285 68.868 0.115 0.000 0.904 728 T HN 0.267 nan 8.240 nan 0.000 0.500 729 L N 5.755 126.974 121.223 -0.007 0.000 2.534 729 L HA 0.065 4.405 4.340 -0.000 0.000 0.271 729 L C 0.278 177.008 176.870 -0.232 0.000 1.178 729 L CA 0.281 54.864 54.840 -0.428 0.000 0.907 729 L CB -0.169 41.712 42.059 -0.297 0.000 1.164 729 L HN 0.639 nan 8.230 nan 0.000 0.482 730 I N 4.354 124.777 120.570 -0.246 0.000 2.899 730 I HA 0.344 4.514 4.170 -0.000 0.000 0.257 730 I C 1.130 177.203 176.117 -0.074 0.000 1.115 730 I CA 1.006 62.268 61.300 -0.063 0.000 1.451 730 I CB -0.444 37.585 38.000 0.047 0.000 1.251 730 I HN 0.748 nan 8.210 nan 0.000 0.456 731 G N -0.789 107.952 108.800 -0.099 0.000 2.356 731 G HA2 0.394 4.354 3.960 -0.000 0.000 0.300 731 G HA3 0.394 4.354 3.960 -0.000 0.000 0.300 731 G C -0.545 174.356 174.900 0.001 0.000 1.331 731 G CA -0.298 44.766 45.100 -0.059 0.000 0.905 731 G HN 0.459 nan 8.290 nan 0.000 0.587 732 G N -0.801 107.991 108.800 -0.012 0.000 2.782 732 G HA2 0.782 4.741 3.960 -0.000 0.000 0.201 732 G HA3 0.782 4.741 3.960 -0.000 0.000 0.201 732 G C 0.755 175.690 174.900 0.058 0.000 1.374 732 G CA 0.632 45.721 45.100 -0.020 0.000 1.039 732 G HN 1.993 nan 8.290 nan 0.000 0.576 733 A N -1.525 121.308 122.820 0.022 0.000 2.567 733 A HA 0.472 4.791 4.320 -0.000 0.000 0.240 733 A C 1.574 179.170 177.584 0.021 0.000 1.053 733 A CA 1.550 53.611 52.037 0.040 0.000 0.755 733 A CB -0.681 18.330 19.000 0.018 0.000 0.978 733 A HN 2.525 nan 8.150 nan 0.000 0.507 734 G N 2.032 110.839 108.800 0.013 0.000 2.258 734 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.233 734 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.233 734 G C 0.582 175.482 174.900 0.001 0.000 1.006 734 G CA 0.424 45.525 45.100 0.003 0.000 0.620 734 G HN 1.284 nan 8.290 nan 0.000 0.511 735 T N 2.485 117.043 114.554 0.007 0.000 2.937 735 T HA 0.460 4.810 4.350 -0.000 0.000 0.316 735 T C 0.928 175.634 174.700 0.011 0.000 1.079 735 T CA 1.024 63.128 62.100 0.006 0.000 1.131 735 T CB 1.117 69.995 68.868 0.016 0.000 1.000 735 T HN 1.042 nan 8.240 nan 0.000 0.549 736 T N -0.054 114.513 114.554 0.021 0.000 2.952 736 T HA 0.624 4.974 4.350 -0.000 0.000 0.286 736 T C -1.214 173.549 174.700 0.106 0.000 1.024 736 T CA -0.862 61.271 62.100 0.055 0.000 1.029 736 T CB 1.157 70.043 68.868 0.029 0.000 1.094 736 T HN 0.558 nan 8.240 nan 0.000 0.515 737 Y N -0.259 120.066 120.300 0.041 0.000 2.362 737 Y HA 0.535 5.085 4.550 -0.000 0.000 0.326 737 Y C -0.040 175.937 175.900 0.130 0.000 1.083 737 Y CA -0.788 57.344 58.100 0.053 0.000 1.073 737 Y CB 1.608 40.081 38.460 0.022 0.000 1.211 737 Y HN 1.124 nan 8.280 nan 0.000 0.433 738 G N 4.419 113.171 108.800 -0.080 0.000 2.356 738 G HA2 0.367 4.327 3.960 -0.000 0.000 0.300 738 G HA3 0.367 4.327 3.960 -0.000 0.000 0.300 738 G C -0.993 174.055 174.900 0.247 0.000 1.107 738 G CA -0.368 44.780 45.100 0.081 0.000 0.960 738 G HN 0.479 nan 8.290 nan 0.000 0.418 739 Q N 1.750 121.815 119.800 0.443 0.000 2.303 739 Q HA 0.382 4.722 4.340 -0.000 0.000 0.257 739 Q C 0.669 176.872 176.000 0.339 0.000 0.941 739 Q CA -0.737 55.346 55.803 0.467 0.000 0.931 739 Q CB 0.609 29.651 28.738 0.508 0.000 1.215 739 Q HN 0.782 nan 8.270 nan 0.000 0.437 740 c N 2.000 120.778 118.600 0.297 0.000 2.727 740 c HA 0.786 5.356 4.570 -0.000 0.000 0.401 740 c C 1.096 175.294 174.090 0.180 0.000 1.294 740 c CA -0.371 56.087 56.329 0.216 0.000 2.134 740 c CB -0.526 42.107 42.510 0.204 0.000 2.724 740 c HN 0.918 nan 8.230 nan 0.000 0.677 741 G N 1.594 110.467 108.800 0.121 0.000 2.491 741 G HA2 0.396 4.356 3.960 -0.000 0.000 0.238 741 G HA3 0.396 4.356 3.960 -0.000 0.000 0.238 741 G C 0.141 175.083 174.900 0.070 0.000 1.277 741 G CA 0.110 45.256 45.100 0.077 0.000 0.851 741 G HN 1.149 nan 8.290 nan 0.000 0.573 742 Q N -0.861 118.985 119.800 0.077 0.000 2.448 742 Q HA -0.196 4.144 4.340 -0.000 0.000 0.356 742 Q C 0.405 176.492 176.000 0.145 0.000 1.430 742 Q CA 1.361 57.244 55.803 0.134 0.000 1.011 742 Q CB -1.900 26.915 28.738 0.128 0.000 1.203 742 Q HN 1.307 nan 8.270 nan 0.000 0.351 743 S N -1.183 114.631 115.700 0.190 0.000 2.672 743 S HA 0.831 5.301 4.470 -0.000 0.000 0.271 743 S C -1.355 173.366 174.600 0.201 0.000 1.171 743 S CA -1.165 57.110 58.200 0.125 0.000 0.817 743 S CB 2.639 65.873 63.200 0.057 0.000 1.150 743 S HN 0.309 nan 8.310 nan 0.000 0.478 744 L N 1.182 122.440 121.223 0.058 0.000 2.388 744 L HA 0.832 5.172 4.340 -0.000 0.000 0.264 744 L C -1.942 174.868 176.870 -0.099 0.000 0.998 744 L CA -0.851 54.004 54.840 0.024 0.000 0.817 744 L CB 1.707 43.733 42.059 -0.055 0.000 1.338 744 L HN 0.978 nan 8.230 nan 0.000 0.414 745 L N 4.666 125.766 121.223 -0.205 0.000 2.362 745 L HA 0.608 4.948 4.340 -0.000 0.000 0.275 745 L C -1.696 174.968 176.870 -0.344 0.000 0.998 745 L CA -0.320 54.330 54.840 -0.316 0.000 0.820 745 L CB 1.742 43.509 42.059 -0.486 0.000 1.270 745 L HN 0.635 nan 8.230 nan 0.000 0.415 746 L N 5.510 126.529 121.223 -0.340 0.000 2.362 746 L HA 0.625 4.965 4.340 -0.000 0.000 0.275 746 L C -1.756 174.930 176.870 -0.307 0.000 0.998 746 L CA -0.710 53.918 54.840 -0.354 0.000 0.820 746 L CB 1.817 43.618 42.059 -0.429 0.000 1.270 746 L HN 0.581 nan 8.230 nan 0.000 0.415 747 L N 5.256 126.353 121.223 -0.210 0.000 2.409 747 L HA 0.616 4.955 4.340 -0.000 0.000 0.262 747 L C -0.377 176.592 176.870 0.164 0.000 0.992 747 L CA -0.382 54.423 54.840 -0.059 0.000 0.817 747 L CB 2.194 44.145 42.059 -0.179 0.000 1.350 747 L HN 0.474 nan 8.230 nan 0.000 0.411 748 I N -1.241 119.521 120.570 0.319 0.000 2.740 748 I HA 0.874 5.044 4.170 -0.000 0.000 0.303 748 I C -0.178 176.210 176.117 0.452 0.000 1.044 748 I CA -0.647 60.876 61.300 0.371 0.000 1.064 748 I CB 2.374 40.500 38.000 0.209 0.000 1.249 748 I HN 0.602 nan 8.210 nan 0.000 0.433 749 S N 3.387 119.215 115.700 0.214 0.000 2.565 749 S HA 0.687 5.157 4.470 -0.000 0.000 0.290 749 S C -0.550 174.028 174.600 -0.036 0.000 1.150 749 S CA -0.736 57.412 58.200 -0.086 0.000 1.058 749 S CB 1.797 64.641 63.200 -0.593 0.000 1.032 749 S HN 0.802 nan 8.310 nan 0.000 0.510 750 K N 0.000 120.395 120.400 -0.008 0.000 2.780 750 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 750 K CA 0.000 56.236 56.287 -0.086 0.000 0.838 750 K CB 0.000 32.296 32.500 -0.340 0.000 1.064 750 K HN 0.000 nan 8.250 nan 0.000 0.543