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 3hkz_1_I DATA FIRST_RESID 4 DATA SEQUENCE KNIKGIKFGI LSPDEIRKMS VTAIITPXXX XXXXXXXXXX XMDPRLGVIE DATA SEQUENCE PGQKcPTCGN TLGNcPGHFG HIELVRPVIH VGLVKHIYEF LKATCRRCGR DATA SEQUENCE VKISEDEIEK YSRIYNAIKK RWPSAARRLT EYVKKTAMKA QVCPHCNEKQ DATA SEQUENCE YKIXXXXXXX XXXXXXXXXX KLTPSDIRER LEKIPDSDVE ILGYDPTTSR DATA SEQUENCE PEWMILTVLP VPPITIRPSX XXXXXXXXED DLTHKLVDIV RINERLKESI DATA SEQUENCE DAGAPQLIIE DLWDLLQYHV ATYFDNEIPG LPPSKHRSGR PLRTLAQRLK DATA SEQUENCE GKEGRFRGNL SGKRVDFSSR TVISPDPNIS IDEVGVPEII AKTLTVPERI DATA SEQUENCE TPWNIEKLRQ FVINGPDKWP GANYVIRPDG RRIDLRYVKD RKELASTLAP DATA SEQUENCE GYIIERHLID GDIVLFNRQP SLHRISMMAH RVRVLKGLTF RLNLLVCPPY DATA SEQUENCE NADFDGDEMN LHVPQSEEAI AEAKEIMLVH KNIITPRYGG PIIGAAQDYI DATA SEQUENCE SGAYLLTVKT TLLTKEEAQQ ILGVADVKID LGEPAILAPR EYYTGKQVIS DATA SEQUENCE AFLPKDFNFH GQANVSSGPR LCKNEDCPHD SYVVIKNGIL LEGVFDKKAI DATA SEQUENCE GNQQPESILH WLIKEYSDEY GKWLMDNLFR VFIRFVELQG FTMRLEDVSL DATA SEQUENCE GDDVKKEIYN EIDRAKVEVD NLIQKYKNGE LEPIPGRTLE ESLENYILDT DATA SEQUENCE LDKLRSTAGD IASKYLDPFN FAYVMARTGA RGSVLNITQM AAMLGQQSVR DATA SEQUENCE GERIKRGYMT RTLPHFKPYD ISPEARGFIY SSFRTGLKPT ELFFHAAGGR DATA SEQUENCE EGLVDTAVRT SQSGYMQRRL INALSDLRAE YDGTVRSLYG EVVQVAYGDD DATA SEQUENCE GVFPMYSAHG KTVDVNRIFE RVVGWK 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.597 176.600 -0.005 0.000 0.988 4 K CA 0.000 56.284 56.287 -0.006 0.000 0.838 4 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 5 N N 3.124 121.820 118.700 -0.006 0.000 2.655 5 N HA 0.276 5.015 4.740 -0.001 0.000 0.277 5 N C -0.898 174.607 175.510 -0.007 0.000 1.177 5 N CA -0.564 52.483 53.050 -0.005 0.000 0.882 5 N CB 0.910 39.395 38.487 -0.003 0.000 1.481 5 N HN 0.463 nan 8.380 nan 0.000 0.547 6 I N 1.413 121.977 120.570 -0.009 0.000 2.775 6 I HA 0.014 4.183 4.170 -0.001 0.000 0.290 6 I C 0.664 176.777 176.117 -0.007 0.000 1.203 6 I CA 0.820 62.112 61.300 -0.013 0.000 1.433 6 I CB 0.015 38.007 38.000 -0.015 0.000 1.354 6 I HN 0.548 nan 8.210 nan 0.000 0.579 7 K N 3.754 124.149 120.400 -0.009 0.000 3.072 7 K HA 0.466 4.785 4.320 -0.001 0.000 0.216 7 K C -0.763 175.836 176.600 -0.002 0.000 1.253 7 K CA -0.255 56.032 56.287 -0.001 0.000 0.891 7 K CB 0.694 33.195 32.500 0.002 0.000 1.224 7 K HN 1.026 nan 8.250 nan 0.000 0.570 8 G N 3.199 111.996 108.800 -0.006 0.000 2.404 8 G HA2 0.117 4.076 3.960 -0.001 0.000 0.230 8 G HA3 0.117 4.076 3.960 -0.001 0.000 0.230 8 G C -1.387 173.481 174.900 -0.053 0.000 1.516 8 G CA -0.981 44.114 45.100 -0.008 0.000 1.026 8 G HN 0.151 nan 8.290 nan 0.000 0.660 9 I N 1.653 122.183 120.570 -0.067 0.000 2.312 9 I HA 0.390 4.559 4.170 -0.001 0.000 0.290 9 I C 0.501 176.424 176.117 -0.322 0.000 1.008 9 I CA -0.837 60.297 61.300 -0.276 0.000 1.226 9 I CB 1.421 39.155 38.000 -0.444 0.000 1.371 9 I HN 0.454 nan 8.210 nan 0.000 0.468 10 K N 6.051 126.275 120.400 -0.293 0.000 2.263 10 K HA 0.431 4.750 4.320 -0.001 0.000 0.282 10 K C -0.609 175.853 176.600 -0.230 0.000 1.089 10 K CA -0.267 55.923 56.287 -0.161 0.000 0.907 10 K CB 0.577 33.021 32.500 -0.092 0.000 1.148 10 K HN 0.231 nan 8.250 nan 0.000 0.470 11 F N 1.152 121.081 119.950 -0.035 0.000 2.272 11 F HA 0.624 5.150 4.527 -0.002 0.000 0.316 11 F C 1.373 177.142 175.800 -0.053 0.000 1.068 11 F CA 0.501 58.476 58.000 -0.041 0.000 1.114 11 F CB 1.100 40.081 39.000 -0.032 0.000 1.611 11 F HN 0.669 nan 8.300 nan 0.000 0.519 12 G N -0.385 108.539 108.800 0.207 0.000 2.346 12 G HA2 0.150 4.109 3.960 -0.001 0.000 0.294 12 G HA3 0.150 4.109 3.960 -0.001 0.000 0.294 12 G C -2.164 172.728 174.900 -0.013 0.000 1.294 12 G CA -1.209 43.928 45.100 0.061 0.000 0.962 12 G HN 0.320 nan 8.290 nan 0.000 0.508 13 I N 1.170 121.696 120.570 -0.075 0.000 2.304 13 I HA 0.342 4.511 4.170 -0.001 0.000 0.291 13 I C 0.759 176.672 176.117 -0.341 0.000 1.018 13 I CA -0.848 60.341 61.300 -0.185 0.000 1.260 13 I CB 0.752 38.676 38.000 -0.125 0.000 1.390 13 I HN 0.530 nan 8.210 nan 0.000 0.475 14 L N 6.817 127.784 121.223 -0.428 0.000 2.573 14 L HA -0.076 4.263 4.340 -0.001 0.000 0.290 14 L C 0.755 177.136 176.870 -0.815 0.000 1.247 14 L CA 0.745 55.291 54.840 -0.490 0.000 0.876 14 L CB 0.207 42.024 42.059 -0.404 0.000 1.123 14 L HN 0.773 nan 8.230 nan 0.000 0.505 15 S N 5.647 121.051 115.700 -0.493 0.000 2.654 15 S HA 0.554 5.023 4.470 -0.001 0.000 0.283 15 S C -1.917 172.617 174.600 -0.110 0.000 1.180 15 S CA -1.015 56.964 58.200 -0.368 0.000 1.021 15 S CB 1.169 64.292 63.200 -0.128 0.000 1.018 15 S HN 0.612 nan 8.310 nan 0.000 0.532 16 P HA -0.097 nan 4.420 nan 0.000 0.214 16 P C 1.013 178.427 177.300 0.191 0.000 1.162 16 P CA 1.295 64.647 63.100 0.420 0.000 0.871 16 P CB -0.174 31.814 31.700 0.481 0.000 0.783 17 D N 0.384 120.859 120.400 0.125 0.000 2.218 17 D HA -0.208 4.431 4.640 -0.001 0.000 0.204 17 D C 1.833 178.143 176.300 0.017 0.000 0.976 17 D CA 0.934 54.970 54.000 0.060 0.000 0.853 17 D CB -0.707 40.120 40.800 0.044 0.000 0.939 17 D HN 0.281 nan 8.370 nan 0.000 0.481 18 E N 0.298 120.498 120.200 0.000 0.000 2.107 18 E HA -0.067 4.282 4.350 -0.001 0.000 0.191 18 E C 2.396 178.970 176.600 -0.044 0.000 0.982 18 E CA 0.341 56.715 56.400 -0.044 0.000 0.809 18 E CB -0.000 29.649 29.700 -0.084 0.000 0.756 18 E HN 0.308 nan 8.360 nan 0.000 0.459 19 I N 0.507 121.076 120.570 -0.001 0.000 2.202 19 I HA -0.282 3.887 4.170 -0.001 0.000 0.242 19 I C 2.560 178.689 176.117 0.021 0.000 1.091 19 I CA 1.093 62.421 61.300 0.046 0.000 1.368 19 I CB -0.193 37.898 38.000 0.152 0.000 1.058 19 I HN 0.088 nan 8.210 nan 0.000 0.410 20 R N 0.977 121.464 120.500 -0.021 0.000 2.075 20 R HA -0.160 4.180 4.340 -0.001 0.000 0.230 20 R C 2.326 178.518 176.300 -0.180 0.000 1.140 20 R CA 1.423 57.395 56.100 -0.213 0.000 0.928 20 R CB -0.438 29.782 30.300 -0.133 0.000 0.834 20 R HN 0.258 nan 8.270 nan 0.000 0.429 21 K N 0.689 121.035 120.400 -0.090 0.000 2.052 21 K HA -0.260 4.059 4.320 -0.001 0.000 0.215 21 K C 2.210 178.776 176.600 -0.058 0.000 1.053 21 K CA 2.175 58.423 56.287 -0.066 0.000 0.934 21 K CB -0.303 32.170 32.500 -0.044 0.000 0.717 21 K HN 0.229 nan 8.250 nan 0.000 0.450 22 M N 1.180 120.749 119.600 -0.052 0.000 2.080 22 M HA -0.142 4.337 4.480 -0.001 0.000 0.260 22 M C 1.196 177.509 176.300 0.022 0.000 1.068 22 M CA 1.358 56.638 55.300 -0.034 0.000 1.109 22 M CB -0.141 32.413 32.600 -0.076 0.000 1.342 22 M HN 0.065 nan 8.290 nan 0.000 0.405 23 S N -0.390 115.323 115.700 0.021 0.000 2.564 23 S HA 0.056 4.525 4.470 -0.001 0.000 0.263 23 S C 0.552 175.183 174.600 0.050 0.000 1.378 23 S CA 0.289 58.534 58.200 0.074 0.000 0.996 23 S CB 0.621 63.808 63.200 -0.021 0.000 0.881 23 S HN 0.518 nan 8.310 nan 0.000 0.555 24 V N -0.522 119.455 119.914 0.105 0.000 3.329 24 V HA 0.462 4.581 4.120 -0.001 0.000 0.317 24 V C -0.104 176.053 176.094 0.104 0.000 1.495 24 V CA -0.192 62.156 62.300 0.079 0.000 1.105 24 V CB -0.122 31.745 31.823 0.073 0.000 0.985 24 V HN 0.700 nan 8.190 nan 0.000 0.475 25 T N 0.309 114.958 114.554 0.159 0.000 2.923 25 T HA 0.746 5.095 4.350 -0.001 0.000 0.311 25 T C 0.738 175.615 174.700 0.294 0.000 1.183 25 T CA 0.266 62.470 62.100 0.174 0.000 1.020 25 T CB 2.069 71.005 68.868 0.114 0.000 1.165 25 T HN 0.219 nan 8.240 nan 0.000 0.482 26 A N 1.345 124.279 122.820 0.190 0.000 2.030 26 A HA 0.481 4.801 4.320 -0.001 0.000 0.215 26 A C 0.592 178.114 177.584 -0.103 0.000 1.164 26 A CA 0.182 52.237 52.037 0.030 0.000 0.697 26 A CB -0.813 18.214 19.000 0.046 0.000 0.827 26 A HN 0.923 nan 8.150 nan 0.000 0.457 27 I N -0.340 120.218 120.570 -0.020 0.000 7.658 27 I HA -0.241 3.929 4.170 -0.001 0.000 0.126 27 I C 0.467 176.545 176.117 -0.064 0.000 1.662 27 I CA 0.243 61.521 61.300 -0.036 0.000 2.297 27 I CB -0.785 37.195 38.000 -0.033 0.000 3.355 27 I HN 0.331 nan 8.210 nan 0.000 0.241 28 I N 1.929 122.471 120.570 -0.047 0.000 4.312 28 I HA 0.086 4.255 4.170 -0.001 0.000 0.324 28 I C 1.071 177.159 176.117 -0.049 0.000 1.298 28 I CA 0.545 61.814 61.300 -0.051 0.000 1.231 28 I CB -0.472 37.506 38.000 -0.038 0.000 1.152 28 I HN 0.545 nan 8.210 nan 0.000 0.421 29 T N 4.937 119.466 114.554 -0.042 0.000 2.901 29 T HA 0.394 4.743 4.350 -0.001 0.000 0.301 29 T C -2.118 172.550 174.700 -0.053 0.000 1.012 29 T CA -0.602 61.472 62.100 -0.042 0.000 1.135 29 T CB 0.988 69.835 68.868 -0.034 0.000 0.936 29 T HN 0.089 nan 8.240 nan 0.000 0.539 46 D N 1.743 122.141 120.400 -0.003 0.000 2.462 46 D HA 0.625 5.264 4.640 -0.001 0.000 0.249 46 D C -2.201 174.103 176.300 0.008 0.000 1.117 46 D CA -1.116 52.885 54.000 0.001 0.000 0.900 46 D CB 0.945 41.738 40.800 -0.012 0.000 1.039 46 D HN 0.279 nan 8.370 nan 0.000 0.516 47 P HA 0.105 nan 4.420 nan 0.000 0.247 47 P C 0.709 178.040 177.300 0.052 0.000 1.024 47 P CA 0.024 63.141 63.100 0.029 0.000 1.158 47 P CB 0.453 32.169 31.700 0.027 0.000 0.992 48 R N 1.151 121.694 120.500 0.073 0.000 2.721 48 R HA 0.337 4.676 4.340 -0.001 0.000 0.296 48 R C -0.040 176.383 176.300 0.205 0.000 1.174 48 R CA -0.040 56.135 56.100 0.126 0.000 1.129 48 R CB -0.864 29.492 30.300 0.093 0.000 1.316 48 R HN 0.248 nan 8.270 nan 0.000 0.571 49 L N 1.277 122.567 121.223 0.113 0.000 3.048 49 L HA 0.381 4.721 4.340 -0.001 0.000 0.234 49 L C 0.106 176.894 176.870 -0.136 0.000 1.318 49 L CA -0.309 54.550 54.840 0.032 0.000 1.109 49 L CB 0.464 42.510 42.059 -0.021 0.000 1.480 49 L HN 0.494 nan 8.230 nan 0.000 0.495 50 G N 0.285 108.988 108.800 -0.162 0.000 2.981 50 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.686 50 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.686 50 G C -0.895 173.972 174.900 -0.056 0.000 1.068 50 G CA -0.977 43.972 45.100 -0.252 0.000 0.806 50 G HN 0.044 nan 8.290 nan 0.000 0.568 51 V N 4.373 124.290 119.914 0.004 0.000 2.417 51 V HA 0.678 4.797 4.120 -0.001 0.000 0.291 51 V C 1.090 177.182 176.094 -0.003 0.000 1.024 51 V CA -0.031 62.273 62.300 0.007 0.000 0.861 51 V CB 1.249 33.089 31.823 0.029 0.000 0.985 51 V HN 1.029 nan 8.190 nan 0.000 0.436 52 I N 1.493 122.056 120.570 -0.012 0.000 3.210 52 I HA 0.778 4.947 4.170 -0.001 0.000 0.316 52 I C -0.077 176.039 176.117 -0.002 0.000 1.067 52 I CA -0.615 60.679 61.300 -0.010 0.000 1.047 52 I CB 0.816 38.805 38.000 -0.019 0.000 1.352 52 I HN 0.757 nan 8.210 nan 0.000 0.565 53 E N -0.305 119.894 120.200 -0.001 0.000 8.064 53 E HA -0.123 4.226 4.350 -0.001 0.000 0.466 53 E C -2.476 174.128 176.600 0.007 0.000 0.773 53 E CA -0.270 56.131 56.400 0.003 0.000 1.348 53 E CB -1.107 28.594 29.700 0.002 0.000 0.986 53 E HN 0.589 nan 8.360 nan 0.000 0.265 54 P HA 0.109 nan 4.420 nan 0.000 0.248 54 P C -0.428 176.879 177.300 0.012 0.000 1.254 54 P CA 0.753 63.859 63.100 0.012 0.000 1.252 54 P CB 0.142 31.849 31.700 0.011 0.000 1.465 55 G N 2.226 111.035 108.800 0.015 0.000 2.782 55 G HA2 0.214 4.174 3.960 -0.001 0.000 0.280 55 G HA3 0.214 4.174 3.960 -0.001 0.000 0.280 55 G C 0.519 175.431 174.900 0.019 0.000 1.526 55 G CA -0.314 44.795 45.100 0.015 0.000 1.083 55 G HN 0.177 nan 8.290 nan 0.000 0.552 56 Q N 0.970 120.780 119.800 0.017 0.000 2.308 56 Q HA -0.294 4.045 4.340 -0.001 0.000 0.219 56 Q C 1.204 177.217 176.000 0.022 0.000 1.036 56 Q CA 2.774 58.587 55.803 0.018 0.000 0.973 56 Q CB -0.206 28.541 28.738 0.015 0.000 1.034 56 Q HN 0.809 nan 8.270 nan 0.000 0.422 57 K N -5.004 115.412 120.400 0.027 0.000 2.755 57 K HA 0.397 4.717 4.320 -0.001 0.000 0.294 57 K C -0.117 176.513 176.600 0.049 0.000 1.060 57 K CA -0.359 55.950 56.287 0.036 0.000 0.845 57 K CB 0.234 32.751 32.500 0.027 0.000 1.539 57 K HN 0.069 nan 8.250 nan 0.000 0.379 58 c N -2.082 116.560 118.600 0.070 0.000 3.186 58 c HA 0.462 5.031 4.570 -0.001 0.000 0.130 58 c C -1.658 172.477 174.090 0.075 0.000 2.543 58 c CA -0.093 56.295 56.329 0.098 0.000 0.995 58 c CB -1.178 41.450 42.510 0.196 0.000 1.604 58 c HN 0.776 nan 8.230 nan 0.000 0.645 59 P HA 0.245 nan 4.420 nan 0.000 0.211 59 P C 0.123 177.417 177.300 -0.010 0.000 1.833 59 P CA 0.915 64.022 63.100 0.013 0.000 0.938 59 P CB -0.222 31.458 31.700 -0.032 0.000 1.808 60 T N -1.297 113.260 114.554 0.006 0.000 5.334 60 T HA -0.206 4.143 4.350 -0.001 0.000 0.288 60 T C 0.941 175.638 174.700 -0.005 0.000 1.733 60 T CA 1.198 63.299 62.100 0.001 0.000 2.925 60 T CB -2.009 66.858 68.868 -0.001 0.000 1.649 60 T HN 0.351 nan 8.240 nan 0.000 1.007 61 C N 0.661 119.956 119.300 -0.008 0.000 2.500 61 C HA 0.449 4.908 4.460 -0.001 0.000 0.273 61 C C 2.387 177.382 174.990 0.008 0.000 1.428 61 C CA 0.353 59.364 59.018 -0.012 0.000 1.766 61 C CB -1.196 26.525 27.740 -0.031 0.000 1.817 61 C HN 1.222 nan 8.230 nan 0.000 0.543 62 G N 1.531 110.342 108.800 0.017 0.000 2.143 62 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.248 62 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.248 62 G C -0.283 174.633 174.900 0.027 0.000 0.991 62 G CA -0.003 45.109 45.100 0.019 0.000 0.689 62 G HN 0.741 nan 8.290 nan 0.000 0.522 63 N N 1.537 120.260 118.700 0.039 0.000 2.427 63 N HA 0.319 5.058 4.740 -0.001 0.000 0.269 63 N C 1.570 177.103 175.510 0.037 0.000 1.235 63 N CA 0.288 53.365 53.050 0.045 0.000 0.934 63 N CB 0.679 39.209 38.487 0.072 0.000 1.121 63 N HN 0.354 nan 8.380 nan 0.000 0.480 64 T N 2.336 116.909 114.554 0.030 0.000 3.101 64 T HA -0.137 4.212 4.350 -0.001 0.000 0.214 64 T C 1.013 175.727 174.700 0.024 0.000 1.259 64 T CA 0.550 62.665 62.100 0.025 0.000 1.832 64 T CB -0.244 68.638 68.868 0.024 0.000 1.077 64 T HN 0.322 nan 8.240 nan 0.000 0.356 65 L N 2.203 123.439 121.223 0.023 0.000 2.415 65 L HA 0.388 4.727 4.340 -0.001 0.000 0.269 65 L C 1.504 178.385 176.870 0.018 0.000 1.244 65 L CA -0.060 54.792 54.840 0.020 0.000 1.113 65 L CB -0.915 41.157 42.059 0.021 0.000 1.352 65 L HN 0.806 nan 8.230 nan 0.000 0.433 66 G N 1.721 110.531 108.800 0.016 0.000 2.337 66 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.290 66 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.290 66 G C 0.813 175.723 174.900 0.017 0.000 1.003 66 G CA 0.820 45.927 45.100 0.012 0.000 0.825 66 G HN 0.726 nan 8.290 nan 0.000 0.509 67 N N -0.923 117.794 118.700 0.028 0.000 2.434 67 N HA 0.112 4.852 4.740 -0.001 0.000 0.196 67 N C 0.880 176.425 175.510 0.058 0.000 1.183 67 N CA 0.249 53.321 53.050 0.036 0.000 0.849 67 N CB -0.119 38.389 38.487 0.035 0.000 0.992 67 N HN 0.399 nan 8.380 nan 0.000 0.460 68 c N 1.778 120.418 118.600 0.065 0.000 2.555 68 c HA 0.211 4.780 4.570 -0.001 0.000 0.385 68 c C -0.660 173.454 174.090 0.039 0.000 1.296 68 c CA -1.807 54.592 56.329 0.118 0.000 1.757 68 c CB 0.368 42.941 42.510 0.106 0.000 2.445 68 c HN 0.450 nan 8.230 nan 0.000 0.571 69 P HA 0.056 nan 4.420 nan 0.000 0.216 69 P C 0.452 177.701 177.300 -0.085 0.000 1.153 69 P CA 1.853 64.980 63.100 0.045 0.000 0.858 69 P CB -0.016 31.766 31.700 0.137 0.000 0.789 70 G N -0.066 108.512 108.800 -0.369 0.000 3.326 70 G HA2 0.014 3.973 3.960 -0.001 0.000 0.681 70 G HA3 0.014 3.973 3.960 -0.001 0.000 0.681 70 G C -1.104 173.582 174.900 -0.357 0.000 1.255 70 G CA -0.860 43.935 45.100 -0.508 0.000 0.976 70 G HN 0.310 nan 8.290 nan 0.000 0.563 71 H N 1.538 120.644 119.070 0.061 0.000 2.524 71 H HA 0.648 5.203 4.556 -0.002 0.000 0.353 71 H C -0.213 175.200 175.328 0.141 0.000 1.136 71 H CA -1.047 55.102 56.048 0.168 0.000 1.193 71 H CB 1.382 31.212 29.762 0.113 0.000 1.558 71 H HN 0.361 nan 8.280 nan 0.000 0.515 72 F N 0.363 120.398 119.950 0.142 0.000 2.371 72 F HA 0.457 4.984 4.527 -0.001 0.000 0.329 72 F C 1.354 177.221 175.800 0.113 0.000 1.107 72 F CA 0.062 58.124 58.000 0.103 0.000 1.137 72 F CB 1.295 40.346 39.000 0.085 0.000 1.214 72 F HN 0.610 nan 8.300 nan 0.000 0.536 73 G N -0.109 108.837 108.800 0.242 0.000 2.932 73 G HA2 0.581 4.540 3.960 -0.001 0.000 0.283 73 G HA3 0.581 4.540 3.960 -0.001 0.000 0.283 73 G C -1.778 173.324 174.900 0.337 0.000 1.336 73 G CA -0.479 44.769 45.100 0.247 0.000 1.056 73 G HN 0.754 nan 8.290 nan 0.000 0.522 74 H N -1.490 117.642 119.070 0.104 0.000 2.954 74 H HA 0.445 5.000 4.556 -0.001 0.000 0.361 74 H C -1.018 174.350 175.328 0.066 0.000 1.122 74 H CA -1.089 55.022 56.048 0.105 0.000 1.217 74 H CB 1.483 31.313 29.762 0.114 0.000 1.776 74 H HN 0.314 nan 8.280 nan 0.000 0.533 75 I N 1.134 121.666 120.570 -0.063 0.000 4.035 75 I HA 0.067 4.236 4.170 -0.001 0.000 0.321 75 I C 0.022 176.058 176.117 -0.135 0.000 1.289 75 I CA 0.428 61.648 61.300 -0.135 0.000 1.236 75 I CB -0.030 37.922 38.000 -0.080 0.000 1.076 75 I HN 0.849 nan 8.210 nan 0.000 0.418 76 E N 0.937 121.097 120.200 -0.066 0.000 3.439 76 E HA -0.195 4.154 4.350 -0.001 0.000 0.149 76 E C -0.818 175.784 176.600 0.003 0.000 1.846 76 E CA 0.327 56.719 56.400 -0.013 0.000 0.770 76 E CB -1.092 28.574 29.700 -0.056 0.000 1.082 76 E HN 0.332 nan 8.360 nan 0.000 0.357 77 L N 2.392 123.631 121.223 0.026 0.000 2.426 77 L HA 0.189 4.528 4.340 -0.001 0.000 0.271 77 L C 1.858 178.761 176.870 0.056 0.000 1.169 77 L CA 0.009 54.870 54.840 0.035 0.000 0.836 77 L CB 0.686 42.760 42.059 0.025 0.000 1.112 77 L HN 0.434 nan 8.230 nan 0.000 0.465 78 V N -0.635 119.358 119.914 0.132 0.000 3.621 78 V HA 0.299 4.418 4.120 -0.001 0.000 0.285 78 V C 0.557 176.732 176.094 0.135 0.000 1.346 78 V CA -0.030 62.385 62.300 0.192 0.000 1.104 78 V CB -0.313 31.704 31.823 0.322 0.000 0.913 78 V HN 0.789 nan 8.190 nan 0.000 0.432 79 R N 1.155 121.738 120.500 0.139 0.000 2.575 79 R HA 0.513 4.853 4.340 -0.001 0.000 0.292 79 R C -3.137 173.143 176.300 -0.033 0.000 1.246 79 R CA -1.829 54.232 56.100 -0.066 0.000 0.973 79 R CB 1.468 31.710 30.300 -0.097 0.000 1.187 79 R HN 0.032 nan 8.270 nan 0.000 0.478 80 P HA -0.146 nan 4.420 nan 0.000 0.220 80 P C -0.267 176.988 177.300 -0.076 0.000 1.000 80 P CA 0.466 63.495 63.100 -0.118 0.000 1.063 80 P CB -0.165 31.441 31.700 -0.157 0.000 1.023 81 V N 2.212 122.104 119.914 -0.036 0.000 2.686 81 V HA 0.230 4.349 4.120 -0.001 0.000 0.295 81 V C 0.533 176.649 176.094 0.037 0.000 1.055 81 V CA -0.978 61.327 62.300 0.009 0.000 1.050 81 V CB 0.839 32.681 31.823 0.032 0.000 0.984 81 V HN 0.254 nan 8.190 nan 0.000 0.482 82 I N 3.265 123.878 120.570 0.071 0.000 2.371 82 I HA 0.311 4.480 4.170 -0.001 0.000 0.290 82 I C 0.285 176.542 176.117 0.233 0.000 1.028 82 I CA -0.052 61.324 61.300 0.126 0.000 1.345 82 I CB 0.470 38.535 38.000 0.109 0.000 1.407 82 I HN 0.886 nan 8.210 nan 0.000 0.501 83 H N 7.347 126.540 119.070 0.205 0.000 3.026 83 H HA 0.084 4.639 4.556 -0.001 0.000 0.289 83 H C 1.038 176.504 175.328 0.230 0.000 1.022 83 H CA 0.586 56.800 56.048 0.276 0.000 1.477 83 H CB 1.237 31.124 29.762 0.209 0.000 1.510 83 H HN 0.680 nan 8.280 nan 0.000 0.535 84 V N 3.741 123.835 119.914 0.301 0.000 2.407 84 V HA -0.136 3.983 4.120 -0.001 0.000 0.248 84 V C 2.302 178.576 176.094 0.300 0.000 1.055 84 V CA 1.784 64.253 62.300 0.282 0.000 1.049 84 V CB -1.069 30.899 31.823 0.243 0.000 0.662 84 V HN 0.727 nan 8.190 nan 0.000 0.455 85 G N 0.233 109.295 108.800 0.437 0.000 2.396 85 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.214 85 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.214 85 G C 1.505 176.525 174.900 0.201 0.000 1.166 85 G CA 0.583 45.854 45.100 0.285 0.000 0.793 85 G HN 0.499 nan 8.290 nan 0.000 0.533 86 L N 0.893 122.256 121.223 0.233 0.000 2.551 86 L HA 0.044 4.383 4.340 -0.001 0.000 0.228 86 L C 2.665 179.652 176.870 0.194 0.000 1.153 86 L CA -0.244 54.675 54.840 0.133 0.000 0.851 86 L CB -0.209 41.839 42.059 -0.019 0.000 0.959 86 L HN 0.120 nan 8.230 nan 0.000 0.451 87 V N 0.833 120.870 119.914 0.205 0.000 2.370 87 V HA -0.324 3.795 4.120 -0.001 0.000 0.252 87 V C 2.531 178.723 176.094 0.164 0.000 1.068 87 V CA 1.895 64.314 62.300 0.198 0.000 1.061 87 V CB -0.248 31.690 31.823 0.192 0.000 0.656 87 V HN 0.519 nan 8.190 nan 0.000 0.455 88 K N -1.218 119.192 120.400 0.016 0.000 2.217 88 K HA -0.107 4.212 4.320 -0.001 0.000 0.202 88 K C 1.901 178.481 176.600 -0.034 0.000 1.051 88 K CA 1.342 57.566 56.287 -0.105 0.000 0.952 88 K CB -0.541 31.812 32.500 -0.245 0.000 0.736 88 K HN 0.630 nan 8.250 nan 0.000 0.453 89 H N 1.069 120.250 119.070 0.185 0.000 2.355 89 H HA 0.100 4.655 4.556 -0.001 0.000 0.303 89 H C 2.292 177.859 175.328 0.399 0.000 1.061 89 H CA 0.575 56.751 56.048 0.213 0.000 1.368 89 H CB -0.036 29.864 29.762 0.231 0.000 1.412 89 H HN -0.023 nan 8.280 nan 0.000 0.523 90 I N 0.810 121.655 120.570 0.458 0.000 2.185 90 I HA -0.334 3.835 4.170 -0.001 0.000 0.246 90 I C 2.308 178.602 176.117 0.295 0.000 1.088 90 I CA 1.280 62.766 61.300 0.311 0.000 1.347 90 I CB -1.506 36.599 38.000 0.175 0.000 1.041 90 I HN 0.172 nan 8.210 nan 0.000 0.415 91 Y N 1.242 121.624 120.300 0.137 0.000 2.315 91 Y HA -0.231 4.318 4.550 -0.001 0.000 0.288 91 Y C 2.591 178.535 175.900 0.074 0.000 1.154 91 Y CA 1.890 60.037 58.100 0.079 0.000 1.229 91 Y CB 0.036 38.524 38.460 0.047 0.000 0.980 91 Y HN 0.283 nan 8.280 nan 0.000 0.540 92 E N -1.858 118.509 120.200 0.279 0.000 2.251 92 E HA -0.021 4.328 4.350 -0.001 0.000 0.194 92 E C 1.733 178.364 176.600 0.051 0.000 0.964 92 E CA 0.114 56.600 56.400 0.143 0.000 0.868 92 E CB -0.152 29.600 29.700 0.087 0.000 0.828 92 E HN 0.359 nan 8.360 nan 0.000 0.481 93 F N 1.120 121.085 119.950 0.026 0.000 2.120 93 F HA -0.226 4.300 4.527 -0.001 0.000 0.300 93 F C 1.921 177.713 175.800 -0.014 0.000 1.095 93 F CA 1.108 59.093 58.000 -0.025 0.000 1.249 93 F CB -0.075 38.883 39.000 -0.070 0.000 0.995 93 F HN 0.031 nan 8.300 nan 0.000 0.480 94 L N -0.512 120.815 121.223 0.173 0.000 2.376 94 L HA -0.161 4.178 4.340 -0.001 0.000 0.219 94 L C 1.918 178.808 176.870 0.033 0.000 1.133 94 L CA 1.076 55.955 54.840 0.065 0.000 0.816 94 L CB -0.630 41.426 42.059 -0.004 0.000 0.933 94 L HN 0.132 nan 8.230 nan 0.000 0.449 95 K N 0.100 120.526 120.400 0.043 0.000 2.366 95 K HA 0.078 4.397 4.320 -0.001 0.000 0.198 95 K C 1.191 177.812 176.600 0.036 0.000 1.044 95 K CA 0.460 56.768 56.287 0.036 0.000 0.973 95 K CB 0.223 32.757 32.500 0.056 0.000 0.767 95 K HN 0.284 nan 8.250 nan 0.000 0.475 96 A N 0.513 123.355 122.820 0.037 0.000 3.538 96 A HA 0.452 4.771 4.320 -0.001 0.000 0.174 96 A C -0.265 177.346 177.584 0.045 0.000 1.733 96 A CA -0.195 51.864 52.037 0.036 0.000 0.888 96 A CB 0.129 19.146 19.000 0.028 0.000 1.804 96 A HN 0.146 nan 8.150 nan 0.000 0.626 97 T N -1.594 112.990 114.554 0.049 0.000 0.543 97 T HA -0.178 4.171 4.350 -0.001 0.000 0.774 97 T C 0.774 175.489 174.700 0.025 0.000 0.992 97 T CA 0.373 62.500 62.100 0.045 0.000 4.075 97 T CB -1.408 67.495 68.868 0.058 0.000 2.302 97 T HN 1.911 nan 8.240 nan 0.000 0.398 98 C N 4.584 123.894 119.300 0.018 0.000 2.400 98 C HA -0.056 4.403 4.460 -0.001 0.000 0.291 98 C C 2.222 177.214 174.990 0.004 0.000 1.372 98 C CA 1.816 60.838 59.018 0.007 0.000 1.800 98 C CB -1.489 26.253 27.740 0.003 0.000 1.869 98 C HN 1.009 nan 8.230 nan 0.000 0.533 99 R N -2.496 118.008 120.500 0.007 0.000 3.603 99 R HA -0.191 4.148 4.340 -0.001 0.000 0.479 99 R C 1.223 177.521 176.300 -0.003 0.000 0.745 99 R CA 1.754 57.855 56.100 0.002 0.000 1.476 99 R CB -1.233 29.070 30.300 0.006 0.000 2.147 99 R HN 0.547 nan 8.270 nan 0.000 0.447 100 R N -1.696 118.802 120.500 -0.003 0.000 2.702 100 R HA 0.234 4.574 4.340 -0.001 0.000 0.223 100 R C 0.631 176.928 176.300 -0.005 0.000 0.953 100 R CA 1.004 57.100 56.100 -0.006 0.000 1.068 100 R CB 0.672 30.968 30.300 -0.007 0.000 1.600 100 R HN 0.196 nan 8.270 nan 0.000 0.602 101 C N -1.487 117.813 119.300 -0.001 0.000 2.511 101 C HA 0.871 5.331 4.460 -0.001 0.000 0.221 101 C C 1.489 176.486 174.990 0.011 0.000 2.963 101 C CA -0.274 58.746 59.018 0.003 0.000 1.934 101 C CB 0.121 27.862 27.740 0.002 0.000 2.827 101 C HN 0.494 nan 8.230 nan 0.000 0.360 102 G N -0.888 107.922 108.800 0.017 0.000 3.356 102 G HA2 0.546 4.505 3.960 -0.001 0.000 0.178 102 G HA3 0.546 4.505 3.960 -0.001 0.000 0.178 102 G C 0.361 175.282 174.900 0.035 0.000 1.175 102 G CA 0.530 45.649 45.100 0.032 0.000 0.840 102 G HN 1.035 nan 8.290 nan 0.000 0.658 103 R N -1.547 118.978 120.500 0.041 0.000 3.692 103 R HA -0.338 4.001 4.340 -0.001 0.000 0.302 103 R C 0.574 176.891 176.300 0.028 0.000 0.595 103 R CA 2.195 58.314 56.100 0.031 0.000 1.154 103 R CB -2.239 28.073 30.300 0.019 0.000 0.832 103 R HN 1.601 nan 8.270 nan 0.000 0.575 104 V N 2.521 122.447 119.914 0.020 0.000 6.356 104 V HA -0.191 3.928 4.120 -0.001 0.000 0.325 104 V C 0.496 176.599 176.094 0.015 0.000 0.504 104 V CA 2.013 64.324 62.300 0.017 0.000 0.668 104 V CB -1.022 30.814 31.823 0.022 0.000 0.306 104 V HN 0.741 nan 8.190 nan 0.000 0.878 105 K N -0.627 119.780 120.400 0.011 0.000 2.007 105 K HA 0.731 5.050 4.320 -0.001 0.000 0.251 105 K C 0.157 176.759 176.600 0.004 0.000 0.799 105 K CA -0.155 56.137 56.287 0.008 0.000 0.656 105 K CB 1.969 34.471 32.500 0.005 0.000 1.646 105 K HN 0.186 nan 8.250 nan 0.000 0.479 106 I N -0.876 119.695 120.570 0.002 0.000 4.192 106 I HA 0.137 4.306 4.170 -0.001 0.000 0.170 106 I C 1.131 177.247 176.117 -0.002 0.000 0.593 106 I CA -0.351 60.950 61.300 0.001 0.000 2.365 106 I CB 0.684 38.686 38.000 0.003 0.000 1.194 106 I HN 0.394 nan 8.210 nan 0.000 0.418 107 S N -0.105 115.595 115.700 -0.000 0.000 2.535 107 S HA 0.131 4.600 4.470 -0.001 0.000 0.214 107 S C 0.926 175.521 174.600 -0.008 0.000 0.980 107 S CA 0.034 58.233 58.200 -0.001 0.000 0.907 107 S CB -0.133 63.071 63.200 0.007 0.000 0.790 107 S HN 0.392 nan 8.310 nan 0.000 0.510 108 E N 1.406 121.601 120.200 -0.008 0.000 2.463 108 E HA 0.001 4.351 4.350 -0.001 0.000 0.191 108 E C 0.077 176.657 176.600 -0.034 0.000 1.083 108 E CA 0.142 56.534 56.400 -0.013 0.000 0.872 108 E CB -0.119 29.581 29.700 -0.000 0.000 0.966 108 E HN 0.502 nan 8.360 nan 0.000 0.491 109 D N 1.352 121.727 120.400 -0.041 0.000 2.149 109 D HA -0.110 4.529 4.640 -0.001 0.000 0.201 109 D C 1.597 177.823 176.300 -0.123 0.000 0.972 109 D CA 0.821 54.785 54.000 -0.061 0.000 0.835 109 D CB 0.143 40.919 40.800 -0.040 0.000 0.966 109 D HN 0.167 nan 8.370 nan 0.000 0.476 110 E N -0.132 119.991 120.200 -0.128 0.000 2.152 110 E HA -0.066 4.283 4.350 -0.001 0.000 0.192 110 E C 1.853 178.211 176.600 -0.403 0.000 0.983 110 E CA 0.345 56.602 56.400 -0.237 0.000 0.818 110 E CB 0.062 29.707 29.700 -0.091 0.000 0.758 110 E HN 0.265 nan 8.360 nan 0.000 0.467 111 I N 1.403 121.881 120.570 -0.153 0.000 2.567 111 I HA -0.201 3.968 4.170 -0.001 0.000 0.257 111 I C 1.240 177.291 176.117 -0.110 0.000 1.184 111 I CA 1.336 62.605 61.300 -0.050 0.000 1.451 111 I CB 0.019 38.034 38.000 0.026 0.000 1.089 111 I HN -0.034 nan 8.210 nan 0.000 0.441 112 E N 0.078 120.180 120.200 -0.164 0.000 2.651 112 E HA 0.123 4.472 4.350 -0.001 0.000 0.213 112 E C 0.807 177.298 176.600 -0.181 0.000 1.028 112 E CA -0.005 56.322 56.400 -0.121 0.000 1.183 112 E CB 0.267 29.931 29.700 -0.061 0.000 1.188 112 E HN 0.342 nan 8.360 nan 0.000 0.444 113 K N -0.480 119.678 120.400 -0.403 0.000 2.402 113 K HA 0.118 4.438 4.320 -0.001 0.000 0.204 113 K C 0.403 176.889 176.600 -0.190 0.000 1.056 113 K CA 0.081 56.160 56.287 -0.346 0.000 1.069 113 K CB 0.629 32.888 32.500 -0.401 0.000 0.888 113 K HN 0.102 nan 8.250 nan 0.000 0.546 114 Y N -0.316 120.079 120.300 0.157 0.000 2.500 114 Y HA 0.001 4.550 4.550 -0.001 0.000 0.284 114 Y C 2.535 178.568 175.900 0.221 0.000 1.118 114 Y CA 0.261 58.511 58.100 0.248 0.000 1.241 114 Y CB -0.395 38.099 38.460 0.057 0.000 1.171 114 Y HN -0.038 nan 8.280 nan 0.000 0.540 115 S N 0.949 116.786 115.700 0.228 0.000 2.371 115 S HA -0.175 4.294 4.470 -0.001 0.000 0.224 115 S C 2.110 176.780 174.600 0.117 0.000 1.029 115 S CA 0.976 59.267 58.200 0.150 0.000 0.978 115 S CB -0.525 62.729 63.200 0.089 0.000 0.833 115 S HN 0.381 nan 8.310 nan 0.000 0.466 116 R N 1.051 121.592 120.500 0.069 0.000 2.122 116 R HA -0.142 4.198 4.340 -0.001 0.000 0.236 116 R C 2.051 178.371 176.300 0.032 0.000 1.129 116 R CA 2.269 58.385 56.100 0.027 0.000 0.925 116 R CB -0.402 29.889 30.300 -0.015 0.000 0.850 116 R HN 0.428 nan 8.270 nan 0.000 0.431 117 I N -0.470 120.131 120.570 0.050 0.000 2.385 117 I HA -0.144 4.025 4.170 -0.001 0.000 0.244 117 I C 1.128 177.219 176.117 -0.044 0.000 1.089 117 I CA 0.894 62.164 61.300 -0.051 0.000 1.410 117 I CB -1.049 36.841 38.000 -0.185 0.000 1.117 117 I HN 0.154 nan 8.210 nan 0.000 0.429 118 Y N 2.710 123.055 120.300 0.075 0.000 3.057 118 Y HA 0.134 4.683 4.550 -0.001 0.000 0.389 118 Y C 0.523 176.456 175.900 0.056 0.000 1.049 118 Y CA 0.148 58.289 58.100 0.069 0.000 1.876 118 Y CB -0.940 37.571 38.460 0.085 0.000 1.918 118 Y HN 0.191 nan 8.280 nan 0.000 0.446 119 N N 0.131 118.912 118.700 0.135 0.000 2.673 119 N HA 0.224 4.964 4.740 -0.001 0.000 0.265 119 N C 0.367 175.908 175.510 0.052 0.000 1.709 119 N CA 0.129 53.238 53.050 0.098 0.000 0.792 119 N CB 1.203 39.747 38.487 0.095 0.000 1.286 119 N HN 0.375 nan 8.380 nan 0.000 0.506 120 A N 0.613 123.460 122.820 0.045 0.000 2.030 120 A HA 0.089 4.408 4.320 -0.001 0.000 0.215 120 A C 2.025 179.632 177.584 0.038 0.000 1.164 120 A CA 0.416 52.468 52.037 0.025 0.000 0.697 120 A CB 0.082 19.092 19.000 0.017 0.000 0.827 120 A HN 0.266 nan 8.150 nan 0.000 0.457 121 I N 0.234 120.844 120.570 0.067 0.000 2.039 121 I HA -0.162 4.007 4.170 -0.001 0.000 0.233 121 I C 0.845 177.014 176.117 0.087 0.000 1.040 121 I CA 1.384 62.741 61.300 0.094 0.000 1.308 121 I CB -1.272 36.790 38.000 0.103 0.000 1.035 121 I HN 0.158 nan 8.210 nan 0.000 0.392 122 K N 0.798 121.247 120.400 0.082 0.000 2.218 122 K HA 0.145 4.464 4.320 -0.001 0.000 0.276 122 K C 0.862 177.469 176.600 0.012 0.000 1.022 122 K CA 0.131 56.455 56.287 0.061 0.000 0.946 122 K CB 1.228 33.799 32.500 0.118 0.000 1.000 122 K HN 0.105 nan 8.250 nan 0.000 0.468 123 K N 1.335 121.704 120.400 -0.052 0.000 2.511 123 K HA 0.087 4.406 4.320 -0.001 0.000 0.206 123 K C 1.645 178.180 176.600 -0.107 0.000 1.333 123 K CA -0.066 56.171 56.287 -0.082 0.000 0.957 123 K CB 0.461 32.883 32.500 -0.130 0.000 1.172 123 K HN 0.392 nan 8.250 nan 0.000 0.547 124 R N 0.394 120.800 120.500 -0.157 0.000 2.070 124 R HA -0.114 4.225 4.340 -0.001 0.000 0.233 124 R C 1.347 177.493 176.300 -0.257 0.000 1.137 124 R CA 1.557 57.482 56.100 -0.292 0.000 0.945 124 R CB 0.055 30.063 30.300 -0.486 0.000 0.845 124 R HN 0.245 nan 8.270 nan 0.000 0.430 125 W N -0.191 121.078 121.300 -0.052 0.000 2.942 125 W HA 0.154 4.813 4.660 -0.001 0.000 0.263 125 W C -1.200 175.291 176.519 -0.047 0.000 1.296 125 W CA -0.281 57.038 57.345 -0.043 0.000 1.504 125 W CB -0.785 28.660 29.460 -0.025 0.000 1.096 125 W HN 0.158 nan 8.180 nan 0.000 0.639 126 P HA -0.228 nan 4.420 nan 0.000 0.216 126 P C 2.064 179.367 177.300 0.004 0.000 1.153 126 P CA 3.052 66.186 63.100 0.058 0.000 0.858 126 P CB -0.283 31.432 31.700 0.025 0.000 0.789 127 S N -0.552 115.125 115.700 -0.038 0.000 2.382 127 S HA -0.155 4.314 4.470 -0.001 0.000 0.228 127 S C 2.014 176.576 174.600 -0.064 0.000 1.027 127 S CA 1.406 59.551 58.200 -0.093 0.000 0.991 127 S CB -1.150 61.967 63.200 -0.138 0.000 0.823 127 S HN 0.110 nan 8.310 nan 0.000 0.469 128 A N 1.301 124.130 122.820 0.015 0.000 1.968 128 A HA 0.463 4.782 4.320 -0.001 0.000 0.217 128 A C 2.490 180.096 177.584 0.036 0.000 1.169 128 A CA 1.405 53.485 52.037 0.073 0.000 0.638 128 A CB -1.277 17.917 19.000 0.324 0.000 0.812 128 A HN 0.875 nan 8.150 nan 0.000 0.446 129 A N 0.116 122.965 122.820 0.049 0.000 1.873 129 A HA -0.121 4.198 4.320 -0.001 0.000 0.215 129 A C 2.150 179.711 177.584 -0.038 0.000 1.186 129 A CA 1.507 53.549 52.037 0.008 0.000 0.616 129 A CB -0.434 18.583 19.000 0.028 0.000 0.823 129 A HN 0.470 nan 8.150 nan 0.000 0.442 130 R N -0.828 119.641 120.500 -0.052 0.000 2.200 130 R HA -0.060 4.279 4.340 -0.001 0.000 0.234 130 R C 2.169 178.398 176.300 -0.119 0.000 1.127 130 R CA 1.512 57.563 56.100 -0.081 0.000 0.989 130 R CB -0.180 30.056 30.300 -0.107 0.000 0.869 130 R HN 0.488 nan 8.270 nan 0.000 0.459 131 R N -0.973 119.435 120.500 -0.152 0.000 2.237 131 R HA 0.094 4.433 4.340 -0.001 0.000 0.195 131 R C 0.579 176.590 176.300 -0.483 0.000 0.956 131 R CA 0.192 56.133 56.100 -0.264 0.000 1.029 131 R CB 0.331 30.494 30.300 -0.228 0.000 0.972 131 R HN 0.033 nan 8.270 nan 0.000 0.493 132 L N 0.568 121.603 121.223 -0.312 0.000 2.672 132 L HA 0.079 4.419 4.340 -0.001 0.000 0.236 132 L C 0.869 177.691 176.870 -0.079 0.000 1.186 132 L CA 1.000 55.694 54.840 -0.244 0.000 0.977 132 L CB 0.297 42.332 42.059 -0.040 0.000 1.203 132 L HN 0.116 nan 8.230 nan 0.000 0.448 133 T N -3.551 110.937 114.554 -0.110 0.000 3.151 133 T HA 0.028 4.377 4.350 -0.001 0.000 0.239 133 T C 1.557 176.254 174.700 -0.004 0.000 0.979 133 T CA -0.031 62.050 62.100 -0.030 0.000 1.194 133 T CB 0.025 68.872 68.868 -0.036 0.000 0.982 133 T HN 0.155 nan 8.240 nan 0.000 0.428 134 E N 0.893 121.064 120.200 -0.048 0.000 2.130 134 E HA -0.194 4.156 4.350 -0.001 0.000 0.196 134 E C 1.803 178.463 176.600 0.100 0.000 0.998 134 E CA 1.222 57.621 56.400 -0.001 0.000 0.806 134 E CB -0.387 29.292 29.700 -0.036 0.000 0.738 134 E HN 0.361 nan 8.360 nan 0.000 0.459 135 Y N 0.112 120.421 120.300 0.014 0.000 2.096 135 Y HA -0.261 4.288 4.550 -0.001 0.000 0.276 135 Y C 2.359 178.267 175.900 0.013 0.000 1.209 135 Y CA 1.006 59.115 58.100 0.015 0.000 1.137 135 Y CB -0.964 37.505 38.460 0.014 0.000 0.956 135 Y HN -0.002 nan 8.280 nan 0.000 0.506 136 V N -0.691 119.339 119.914 0.193 0.000 3.506 136 V HA -0.085 4.034 4.120 -0.001 0.000 0.263 136 V C 1.739 177.875 176.094 0.070 0.000 1.203 136 V CA 0.806 63.169 62.300 0.104 0.000 1.133 136 V CB -0.157 31.717 31.823 0.085 0.000 0.802 136 V HN 0.325 nan 8.190 nan 0.000 0.459 137 K N -0.147 120.294 120.400 0.068 0.000 2.155 137 K HA -0.114 4.205 4.320 -0.001 0.000 0.203 137 K C 2.072 178.703 176.600 0.051 0.000 1.052 137 K CA 1.215 57.530 56.287 0.047 0.000 0.948 137 K CB -0.049 32.472 32.500 0.035 0.000 0.728 137 K HN 0.298 nan 8.250 nan 0.000 0.448 138 K N 0.113 120.555 120.400 0.070 0.000 2.103 138 K HA -0.019 4.300 4.320 -0.001 0.000 0.204 138 K C 1.336 177.967 176.600 0.051 0.000 1.052 138 K CA 1.263 57.590 56.287 0.066 0.000 0.945 138 K CB 0.198 32.754 32.500 0.093 0.000 0.722 138 K HN 0.018 nan 8.250 nan 0.000 0.443 139 T N 0.358 114.943 114.554 0.053 0.000 3.317 139 T HA 0.246 4.595 4.350 -0.001 0.000 0.250 139 T C -0.001 174.717 174.700 0.031 0.000 1.106 139 T CA 0.004 62.125 62.100 0.035 0.000 0.986 139 T CB 0.161 69.046 68.868 0.028 0.000 1.010 139 T HN 0.109 nan 8.240 nan 0.000 0.560 140 A N 0.973 123.812 122.820 0.032 0.000 2.304 140 A HA 0.762 5.081 4.320 -0.001 0.000 0.314 140 A C 0.723 178.320 177.584 0.023 0.000 1.187 140 A CA -0.716 51.336 52.037 0.024 0.000 0.810 140 A CB 1.026 20.039 19.000 0.022 0.000 1.183 140 A HN 0.222 nan 8.150 nan 0.000 0.487 141 M N 1.835 121.448 119.600 0.020 0.000 2.567 141 M HA 0.237 4.717 4.480 -0.001 0.000 0.261 141 M C 1.355 177.642 176.300 -0.021 0.000 1.180 141 M CA 1.631 56.945 55.300 0.022 0.000 1.143 141 M CB -0.059 32.575 32.600 0.056 0.000 1.319 141 M HN 0.761 nan 8.290 nan 0.000 0.490 142 K N -1.103 119.282 120.400 -0.027 0.000 2.323 142 K HA 0.570 4.889 4.320 -0.001 0.000 0.232 142 K C 1.394 177.974 176.600 -0.033 0.000 1.068 142 K CA 0.653 56.909 56.287 -0.052 0.000 0.892 142 K CB -0.165 32.307 32.500 -0.048 0.000 1.207 142 K HN 0.124 nan 8.250 nan 0.000 0.456 143 A N 0.586 123.396 122.820 -0.017 0.000 1.315 143 A HA -0.433 3.886 4.320 -0.001 0.000 0.333 143 A C 1.821 179.399 177.584 -0.010 0.000 1.730 143 A CA 2.686 54.718 52.037 -0.008 0.000 1.091 143 A CB -1.535 17.464 19.000 -0.001 0.000 1.471 143 A HN 0.481 nan 8.150 nan 0.000 0.722 144 Q N -2.998 116.794 119.800 -0.013 0.000 2.619 144 Q HA 0.537 4.876 4.340 -0.001 0.000 0.230 144 Q C 0.912 176.903 176.000 -0.016 0.000 0.871 144 Q CA 1.870 57.667 55.803 -0.010 0.000 0.934 144 Q CB 1.438 30.173 28.738 -0.005 0.000 1.183 144 Q HN 1.714 nan 8.270 nan 0.000 0.631 145 V N 0.364 120.264 119.914 -0.022 0.000 5.467 145 V HA 0.286 4.406 4.120 -0.001 0.000 0.883 145 V C -1.585 174.487 176.094 -0.037 0.000 2.484 145 V CA -0.520 61.763 62.300 -0.028 0.000 4.316 145 V CB -0.021 31.791 31.823 -0.018 0.000 0.668 145 V HN 0.382 nan 8.190 nan 0.000 0.663 146 C N 3.324 122.594 119.300 -0.050 0.000 2.369 146 C HA 0.596 5.056 4.460 -0.001 0.000 0.358 146 C C -1.891 173.031 174.990 -0.113 0.000 1.274 146 C CA -1.077 57.907 59.018 -0.057 0.000 1.935 146 C CB 0.604 28.318 27.740 -0.042 0.000 2.431 146 C HN 0.616 nan 8.230 nan 0.000 0.545 147 P HA 0.323 nan 4.420 nan 0.000 0.241 147 P C -0.224 177.052 177.300 -0.040 0.000 1.780 147 P CA 0.408 63.429 63.100 -0.132 0.000 1.111 147 P CB -0.522 31.179 31.700 0.001 0.000 1.852 148 H N -1.052 118.018 119.070 -0.001 0.000 1.609 148 H HA -0.179 4.376 4.556 -0.001 0.000 0.119 148 H C -0.261 175.065 175.328 -0.004 0.000 1.456 148 H CA 0.177 56.224 56.048 -0.002 0.000 1.836 148 H CB -1.460 28.300 29.762 -0.002 0.000 2.167 148 H HN 0.417 nan 8.280 nan 0.000 0.944 149 C N 0.799 120.182 119.300 0.137 0.000 2.797 149 C HA 0.379 4.838 4.460 -0.001 0.000 0.306 149 C C 0.959 175.970 174.990 0.034 0.000 1.207 149 C CA -0.886 58.168 59.018 0.060 0.000 1.507 149 C CB 1.582 29.345 27.740 0.039 0.000 2.028 149 C HN 0.707 nan 8.230 nan 0.000 0.475 150 N N 0.856 119.561 118.700 0.009 0.000 2.174 150 N HA 0.348 5.087 4.740 -0.001 0.000 0.255 150 N C 0.500 175.995 175.510 -0.026 0.000 1.279 150 N CA 0.203 53.245 53.050 -0.014 0.000 0.935 150 N CB 0.172 38.642 38.487 -0.029 0.000 1.013 150 N HN 0.724 nan 8.380 nan 0.000 0.427 151 E N -1.235 118.931 120.200 -0.056 0.000 2.049 151 E HA 0.245 4.594 4.350 -0.001 0.000 0.196 151 E C -0.711 175.801 176.600 -0.148 0.000 1.255 151 E CA -0.380 55.974 56.400 -0.076 0.000 0.906 151 E CB -0.075 29.587 29.700 -0.064 0.000 1.970 151 E HN 0.355 nan 8.360 nan 0.000 0.509 152 K N 0.548 120.833 120.400 -0.192 0.000 2.399 152 K HA 0.531 4.850 4.320 -0.001 0.000 0.247 152 K C 0.267 176.606 176.600 -0.435 0.000 1.036 152 K CA -0.512 55.550 56.287 -0.375 0.000 0.977 152 K CB 0.937 33.294 32.500 -0.237 0.000 1.272 152 K HN 0.361 nan 8.250 nan 0.000 0.501 153 Q N -1.703 117.729 119.800 -0.614 0.000 3.078 153 Q HA 0.437 4.776 4.340 -0.001 0.000 0.348 153 Q C -1.169 174.628 176.000 -0.337 0.000 0.861 153 Q CA -0.890 54.648 55.803 -0.441 0.000 0.822 153 Q CB 1.313 29.897 28.738 -0.256 0.000 1.395 153 Q HN 0.559 nan 8.270 nan 0.000 0.497 154 Y N -0.318 120.095 120.300 0.188 0.000 2.705 154 Y HA 0.389 4.938 4.550 -0.001 0.000 0.332 154 Y C -0.426 175.597 175.900 0.205 0.000 1.157 154 Y CA -1.011 57.221 58.100 0.221 0.000 1.091 154 Y CB 0.688 39.230 38.460 0.136 0.000 1.301 154 Y HN 0.462 nan 8.280 nan 0.000 0.488 155 K N 1.181 121.796 120.400 0.358 0.000 2.584 155 K HA -0.000 4.319 4.320 -0.001 0.000 0.277 155 K C -0.180 176.562 176.600 0.236 0.000 0.960 155 K CA 0.433 56.873 56.287 0.255 0.000 0.975 155 K CB -0.011 32.611 32.500 0.203 0.000 0.885 155 K HN 0.528 nan 8.250 nan 0.000 0.515 175 L N 0.866 122.073 121.223 -0.028 0.000 2.569 175 L HA 0.509 4.849 4.340 -0.001 0.000 0.247 175 L C 0.343 177.202 176.870 -0.018 0.000 1.135 175 L CA -0.041 54.780 54.840 -0.032 0.000 0.812 175 L CB 1.425 43.451 42.059 -0.055 0.000 1.431 175 L HN 0.765 nan 8.230 nan 0.000 0.499 176 T N -2.109 112.426 114.554 -0.031 0.000 2.855 176 T HA 0.453 4.802 4.350 -0.001 0.000 0.281 176 T C -2.163 172.507 174.700 -0.051 0.000 1.007 176 T CA -1.914 60.163 62.100 -0.038 0.000 1.009 176 T CB 1.779 70.616 68.868 -0.052 0.000 0.983 176 T HN 0.288 nan 8.240 nan 0.000 0.455 177 P HA -0.072 nan 4.420 nan 0.000 0.213 177 P C 1.636 178.886 177.300 -0.083 0.000 1.170 177 P CA 1.327 64.394 63.100 -0.054 0.000 0.893 177 P CB -0.036 31.636 31.700 -0.047 0.000 0.784 178 S N -1.652 113.978 115.700 -0.117 0.000 2.607 178 S HA -0.054 4.415 4.470 -0.001 0.000 0.224 178 S C 1.542 176.072 174.600 -0.118 0.000 0.969 178 S CA 0.656 58.775 58.200 -0.135 0.000 0.927 178 S CB -1.092 61.999 63.200 -0.182 0.000 0.772 178 S HN 0.005 nan 8.310 nan 0.000 0.533 179 D N 1.198 121.539 120.400 -0.099 0.000 2.277 179 D HA 0.163 4.802 4.640 -0.001 0.000 0.209 179 D C 1.757 178.014 176.300 -0.072 0.000 0.970 179 D CA 0.679 54.630 54.000 -0.081 0.000 0.874 179 D CB 0.062 40.820 40.800 -0.070 0.000 0.982 179 D HN 0.482 nan 8.370 nan 0.000 0.504 180 I N 0.801 121.329 120.570 -0.070 0.000 2.226 180 I HA -0.198 3.972 4.170 -0.001 0.000 0.245 180 I C 2.682 178.752 176.117 -0.079 0.000 1.100 180 I CA 0.797 62.059 61.300 -0.063 0.000 1.374 180 I CB -0.211 37.760 38.000 -0.049 0.000 1.057 180 I HN -0.133 nan 8.210 nan 0.000 0.413 181 R N 1.009 121.451 120.500 -0.096 0.000 2.092 181 R HA -0.195 4.144 4.340 -0.001 0.000 0.231 181 R C 2.231 178.466 176.300 -0.107 0.000 1.119 181 R CA 1.519 57.547 56.100 -0.121 0.000 0.970 181 R CB -0.123 30.084 30.300 -0.154 0.000 0.864 181 R HN 0.396 nan 8.270 nan 0.000 0.440 182 E N 0.065 120.210 120.200 -0.092 0.000 2.110 182 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 182 E C 1.973 178.535 176.600 -0.063 0.000 0.988 182 E CA 0.779 57.134 56.400 -0.075 0.000 0.804 182 E CB 0.131 29.788 29.700 -0.071 0.000 0.745 182 E HN 0.161 nan 8.360 nan 0.000 0.458 183 R N -0.041 120.423 120.500 -0.061 0.000 2.127 183 R HA -0.108 4.231 4.340 -0.001 0.000 0.238 183 R C 2.239 178.509 176.300 -0.050 0.000 1.134 183 R CA 0.876 56.947 56.100 -0.047 0.000 0.975 183 R CB -0.116 30.159 30.300 -0.042 0.000 0.865 183 R HN 0.332 nan 8.270 nan 0.000 0.447 184 L N -0.700 120.476 121.223 -0.080 0.000 2.388 184 L HA 0.053 4.392 4.340 -0.001 0.000 0.209 184 L C 1.963 178.771 176.870 -0.104 0.000 1.061 184 L CA 0.191 54.962 54.840 -0.115 0.000 0.834 184 L CB -0.264 41.671 42.059 -0.207 0.000 1.029 184 L HN 0.056 nan 8.230 nan 0.000 0.473 185 E N 1.035 121.181 120.200 -0.090 0.000 2.271 185 E HA -0.324 4.025 4.350 -0.001 0.000 0.209 185 E C 1.586 178.159 176.600 -0.045 0.000 1.046 185 E CA 1.683 58.043 56.400 -0.066 0.000 0.840 185 E CB -0.061 29.604 29.700 -0.059 0.000 0.738 185 E HN 0.440 nan 8.360 nan 0.000 0.470 186 K N -0.152 120.225 120.400 -0.039 0.000 2.426 186 K HA 0.104 4.423 4.320 -0.001 0.000 0.193 186 K C 0.256 176.851 176.600 -0.009 0.000 1.028 186 K CA 0.016 56.291 56.287 -0.021 0.000 1.047 186 K CB 0.369 32.859 32.500 -0.017 0.000 0.821 186 K HN 0.032 nan 8.250 nan 0.000 0.513 187 I N 3.072 123.635 120.570 -0.013 0.000 2.452 187 I HA 0.061 4.230 4.170 -0.001 0.000 0.287 187 I C -2.263 173.866 176.117 0.019 0.000 1.079 187 I CA -2.271 59.038 61.300 0.015 0.000 1.387 187 I CB 0.484 38.511 38.000 0.045 0.000 1.404 187 I HN -0.143 nan 8.210 nan 0.000 0.522 188 P HA 0.106 nan 4.420 nan 0.000 0.271 188 P C -0.168 177.154 177.300 0.036 0.000 1.218 188 P CA -0.215 62.900 63.100 0.025 0.000 0.780 188 P CB 0.667 32.380 31.700 0.022 0.000 0.901 189 D N 0.167 120.585 120.400 0.029 0.000 2.149 189 D HA -0.168 4.471 4.640 -0.001 0.000 0.198 189 D C 1.869 178.189 176.300 0.033 0.000 0.990 189 D CA 1.932 55.951 54.000 0.032 0.000 0.839 189 D CB -0.520 40.293 40.800 0.021 0.000 0.948 189 D HN 0.395 nan 8.370 nan 0.000 0.460 190 S N -0.270 115.444 115.700 0.024 0.000 2.402 190 S HA -0.134 4.335 4.470 -0.001 0.000 0.229 190 S C 1.590 176.206 174.600 0.026 0.000 1.021 190 S CA 0.957 59.167 58.200 0.017 0.000 0.974 190 S CB -0.038 63.167 63.200 0.009 0.000 0.800 190 S HN 0.071 nan 8.310 nan 0.000 0.484 191 D N 0.786 121.209 120.400 0.038 0.000 2.289 191 D HA 0.105 4.744 4.640 -0.001 0.000 0.207 191 D C 1.962 178.315 176.300 0.088 0.000 0.966 191 D CA 0.539 54.569 54.000 0.051 0.000 0.868 191 D CB 0.238 41.068 40.800 0.051 0.000 0.943 191 D HN 0.337 nan 8.370 nan 0.000 0.514 192 V N 1.292 121.272 119.914 0.109 0.000 2.323 192 V HA -0.176 3.943 4.120 -0.001 0.000 0.244 192 V C 2.311 178.510 176.094 0.175 0.000 1.041 192 V CA 1.289 63.698 62.300 0.181 0.000 1.025 192 V CB -0.380 31.547 31.823 0.174 0.000 0.656 192 V HN 0.131 nan 8.190 nan 0.000 0.451 193 E N 0.396 120.659 120.200 0.104 0.000 2.108 193 E HA -0.283 4.066 4.350 -0.001 0.000 0.203 193 E C 1.892 178.517 176.600 0.041 0.000 1.022 193 E CA 2.121 58.559 56.400 0.063 0.000 0.823 193 E CB -0.418 29.297 29.700 0.025 0.000 0.744 193 E HN 0.675 nan 8.360 nan 0.000 0.456 194 I N 0.377 120.969 120.570 0.036 0.000 3.102 194 I HA -0.219 3.950 4.170 -0.001 0.000 0.278 194 I C 1.440 177.555 176.117 -0.004 0.000 1.316 194 I CA 0.593 61.898 61.300 0.007 0.000 1.425 194 I CB -0.248 37.755 38.000 0.005 0.000 1.073 194 I HN 0.045 nan 8.210 nan 0.000 0.503 195 L N 0.248 121.481 121.223 0.016 0.000 2.685 195 L HA 0.450 4.789 4.340 -0.001 0.000 0.235 195 L C 1.227 177.976 176.870 -0.202 0.000 1.070 195 L CA 0.544 55.373 54.840 -0.017 0.000 0.888 195 L CB 0.139 42.271 42.059 0.121 0.000 1.203 195 L HN 0.244 nan 8.230 nan 0.000 0.499 196 G N -0.479 108.172 108.800 -0.249 0.000 2.798 196 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.167 196 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.167 196 G C -0.920 173.475 174.900 -0.841 0.000 1.082 196 G CA -0.743 44.083 45.100 -0.457 0.000 0.905 196 G HN 0.074 nan 8.290 nan 0.000 0.514 197 Y N -0.533 119.737 120.300 -0.051 0.000 2.399 197 Y HA 0.503 5.052 4.550 -0.001 0.000 0.327 197 Y C -0.477 175.426 175.900 0.004 0.000 1.111 197 Y CA -1.334 56.751 58.100 -0.024 0.000 1.047 197 Y CB 2.111 40.603 38.460 0.054 0.000 1.259 197 Y HN 0.196 nan 8.280 nan 0.000 0.434 198 D N 5.780 126.249 120.400 0.115 0.000 2.359 198 D HA 0.331 4.971 4.640 -0.001 0.000 0.230 198 D C -2.488 173.858 176.300 0.077 0.000 1.118 198 D CA -2.045 51.999 54.000 0.072 0.000 0.844 198 D CB 1.305 42.122 40.800 0.029 0.000 1.059 198 D HN 0.060 nan 8.370 nan 0.000 0.493 199 P HA 0.056 nan 4.420 nan 0.000 0.275 199 P C 0.420 177.736 177.300 0.028 0.000 1.270 199 P CA 0.503 63.634 63.100 0.052 0.000 0.791 199 P CB 0.209 31.939 31.700 0.049 0.000 1.089 200 T N -5.228 109.336 114.554 0.016 0.000 8.089 200 T HA -0.246 4.103 4.350 -0.001 0.000 0.315 200 T C 0.778 175.474 174.700 -0.006 0.000 2.025 200 T CA 2.178 64.280 62.100 0.003 0.000 3.021 200 T CB -3.261 65.608 68.868 0.001 0.000 2.356 200 T HN 0.750 nan 8.240 nan 0.000 1.220 201 T N -3.704 110.851 114.554 0.001 0.000 3.098 201 T HA 0.506 4.855 4.350 -0.001 0.000 0.256 201 T C 0.440 175.135 174.700 -0.008 0.000 0.921 201 T CA 0.651 62.746 62.100 -0.009 0.000 0.916 201 T CB 0.939 69.813 68.868 0.010 0.000 1.246 201 T HN 1.037 nan 8.240 nan 0.000 0.511 202 S N 2.328 118.039 115.700 0.018 0.000 2.775 202 S HA 0.613 5.082 4.470 -0.001 0.000 0.277 202 S C -1.057 173.565 174.600 0.037 0.000 1.156 202 S CA -0.879 57.339 58.200 0.029 0.000 1.081 202 S CB 0.624 63.860 63.200 0.060 0.000 1.054 202 S HN 0.660 nan 8.310 nan 0.000 0.482 203 R N 4.643 125.149 120.500 0.010 0.000 2.621 203 R HA 0.532 4.871 4.340 -0.001 0.000 0.292 203 R C -2.771 173.454 176.300 -0.126 0.000 0.969 203 R CA -1.868 54.211 56.100 -0.036 0.000 0.887 203 R CB 0.919 31.219 30.300 -0.000 0.000 1.180 203 R HN 0.310 nan 8.270 nan 0.000 0.450 204 P HA -0.088 nan 4.420 nan 0.000 0.226 204 P C 0.323 177.444 177.300 -0.299 0.000 1.153 204 P CA 0.951 63.677 63.100 -0.624 0.000 0.777 204 P CB 0.358 31.201 31.700 -1.429 0.000 0.794 205 E N -1.493 118.603 120.200 -0.172 0.000 2.209 205 E HA -0.187 4.162 4.350 -0.001 0.000 0.196 205 E C 1.711 178.309 176.600 -0.003 0.000 0.993 205 E CA 1.151 57.507 56.400 -0.074 0.000 0.819 205 E CB -0.416 29.270 29.700 -0.022 0.000 0.745 205 E HN 0.389 nan 8.360 nan 0.000 0.477 206 W N -0.122 121.115 121.300 -0.105 0.000 2.850 206 W HA 0.191 4.850 4.660 -0.002 0.000 0.260 206 W C 1.584 178.079 176.519 -0.040 0.000 1.129 206 W CA -0.044 57.269 57.345 -0.054 0.000 1.587 206 W CB 0.227 29.668 29.460 -0.031 0.000 1.041 206 W HN -0.149 nan 8.180 nan 0.000 0.614 207 M N 0.958 120.746 119.600 0.312 0.000 2.693 207 M HA -0.175 4.304 4.480 -0.001 0.000 0.252 207 M C -0.494 175.900 176.300 0.156 0.000 1.068 207 M CA 1.120 56.602 55.300 0.304 0.000 1.042 207 M CB -0.840 31.823 32.600 0.106 0.000 1.363 207 M HN -0.158 nan 8.290 nan 0.000 0.512 208 I N 0.693 121.210 120.570 -0.088 0.000 2.330 208 I HA 0.175 4.344 4.170 -0.001 0.000 0.286 208 I C -0.339 175.497 176.117 -0.468 0.000 1.025 208 I CA -0.378 60.832 61.300 -0.150 0.000 1.197 208 I CB 0.908 38.826 38.000 -0.137 0.000 1.358 208 I HN 0.002 nan 8.210 nan 0.000 0.467 209 L N 6.651 127.676 121.223 -0.330 0.000 2.737 209 L HA -0.048 4.292 4.340 -0.001 0.000 0.275 209 L C 1.301 177.881 176.870 -0.483 0.000 1.179 209 L CA 0.514 55.047 54.840 -0.511 0.000 0.970 209 L CB -0.544 41.579 42.059 0.107 0.000 1.268 209 L HN 0.700 nan 8.230 nan 0.000 0.485 210 T N 1.610 115.717 114.554 -0.744 0.000 2.901 210 T HA 0.112 4.461 4.350 -0.001 0.000 0.252 210 T C 0.585 175.251 174.700 -0.058 0.000 1.035 210 T CA 0.427 62.325 62.100 -0.337 0.000 1.142 210 T CB 0.371 69.030 68.868 -0.349 0.000 0.869 210 T HN 0.297 nan 8.240 nan 0.000 0.442 211 V N 1.892 121.882 119.914 0.128 0.000 2.656 211 V HA 0.616 4.735 4.120 -0.001 0.000 0.307 211 V C -1.190 175.127 176.094 0.372 0.000 1.051 211 V CA -1.158 61.291 62.300 0.247 0.000 0.893 211 V CB 2.222 34.226 31.823 0.303 0.000 0.999 211 V HN 0.193 nan 8.190 nan 0.000 0.426 212 L N 7.522 128.898 121.223 0.255 0.000 2.305 212 L HA 0.738 5.077 4.340 -0.001 0.000 0.284 212 L C -2.463 174.536 176.870 0.216 0.000 1.013 212 L CA -1.657 53.339 54.840 0.261 0.000 0.819 212 L CB 2.148 44.281 42.059 0.123 0.000 1.227 212 L HN 0.446 nan 8.230 nan 0.000 0.417 213 P HA 0.116 nan 4.420 nan 0.000 0.280 213 P C -0.935 176.489 177.300 0.207 0.000 1.244 213 P CA -0.208 63.072 63.100 0.300 0.000 0.784 213 P CB 1.440 33.388 31.700 0.413 0.000 0.913 214 V N 5.962 125.960 119.914 0.139 0.000 2.299 214 V HA 0.172 4.291 4.120 -0.001 0.000 0.255 214 V C -1.694 174.333 176.094 -0.112 0.000 1.100 214 V CA -1.727 60.587 62.300 0.024 0.000 0.938 214 V CB 0.315 32.142 31.823 0.006 0.000 1.139 214 V HN 0.558 nan 8.190 nan 0.000 0.490 215 P HA 0.198 nan 4.420 nan 0.000 0.271 215 P C -2.378 174.707 177.300 -0.358 0.000 1.216 215 P CA -1.275 61.492 63.100 -0.555 0.000 0.771 215 P CB 0.293 31.843 31.700 -0.249 0.000 0.864 216 P HA -0.020 nan 4.420 nan 0.000 0.271 216 P C 1.041 178.244 177.300 -0.162 0.000 1.228 216 P CA 0.141 63.080 63.100 -0.268 0.000 0.797 216 P CB 0.546 32.059 31.700 -0.312 0.000 0.914 217 I N -0.360 120.139 120.570 -0.118 0.000 2.546 217 I HA -0.149 4.020 4.170 -0.001 0.000 0.255 217 I C 2.083 178.155 176.117 -0.076 0.000 1.163 217 I CA 1.410 62.665 61.300 -0.075 0.000 1.457 217 I CB -1.478 36.490 38.000 -0.052 0.000 1.092 217 I HN 0.284 nan 8.210 nan 0.000 0.434 218 T N 2.048 116.540 114.554 -0.102 0.000 3.093 218 T HA -0.064 4.285 4.350 -0.001 0.000 0.270 218 T C 1.332 175.993 174.700 -0.066 0.000 1.170 218 T CA 1.308 63.358 62.100 -0.085 0.000 1.072 218 T CB -0.672 68.131 68.868 -0.107 0.000 0.863 218 T HN 0.644 nan 8.240 nan 0.000 0.562 219 I N -1.582 118.947 120.570 -0.069 0.000 3.994 219 I HA 0.417 4.586 4.170 -0.001 0.000 0.323 219 I C 0.414 176.509 176.117 -0.037 0.000 1.501 219 I CA -0.897 60.373 61.300 -0.049 0.000 1.112 219 I CB 0.557 38.528 38.000 -0.048 0.000 1.254 219 I HN 0.027 nan 8.210 nan 0.000 0.495 220 R N 0.110 120.589 120.500 -0.035 0.000 2.470 220 R HA 0.464 4.803 4.340 -0.001 0.000 0.354 220 R C -3.185 173.105 176.300 -0.017 0.000 1.058 220 R CA -0.924 55.164 56.100 -0.020 0.000 1.183 220 R CB -0.352 29.946 30.300 -0.004 0.000 1.398 220 R HN 0.096 nan 8.270 nan 0.000 0.679 221 P HA 0.298 nan 4.420 nan 0.000 0.282 221 P C -0.370 176.922 177.300 -0.013 0.000 1.287 221 P CA -0.383 62.707 63.100 -0.018 0.000 0.792 221 P CB 1.516 33.203 31.700 -0.021 0.000 1.163 233 D N 0.564 120.960 120.400 -0.006 0.000 2.382 233 D HA 0.083 4.722 4.640 -0.001 0.000 0.245 233 D C 0.377 176.630 176.300 -0.078 0.000 1.120 233 D CA 0.385 54.355 54.000 -0.049 0.000 0.890 233 D CB 0.730 41.519 40.800 -0.018 0.000 1.201 233 D HN 0.344 nan 8.370 nan 0.000 0.433 234 D N 2.768 123.070 120.400 -0.164 0.000 2.123 234 D HA -0.158 4.481 4.640 -0.001 0.000 0.196 234 D C 1.896 178.198 176.300 0.003 0.000 0.992 234 D CA 0.867 54.770 54.000 -0.162 0.000 0.833 234 D CB 0.191 40.905 40.800 -0.144 0.000 0.954 234 D HN 0.446 nan 8.370 nan 0.000 0.455 235 L N 0.902 122.126 121.223 0.002 0.000 2.661 235 L HA -0.129 4.210 4.340 -0.001 0.000 0.236 235 L C 1.938 178.883 176.870 0.125 0.000 1.176 235 L CA 0.760 55.626 54.840 0.044 0.000 0.836 235 L CB -0.557 41.501 42.059 -0.001 0.000 0.960 235 L HN 0.010 nan 8.230 nan 0.000 0.455 236 T N -4.139 110.483 114.554 0.113 0.000 2.999 236 T HA 0.064 4.413 4.350 -0.001 0.000 0.247 236 T C 1.625 176.406 174.700 0.136 0.000 1.012 236 T CA -0.134 62.035 62.100 0.116 0.000 1.048 236 T CB 0.024 68.946 68.868 0.090 0.000 1.020 236 T HN 0.318 nan 8.240 nan 0.000 0.478 237 H N 2.497 121.549 119.070 -0.030 0.000 2.325 237 H HA -0.088 4.467 4.556 -0.002 0.000 0.296 237 H C 2.146 177.494 175.328 0.033 0.000 1.053 237 H CA 1.741 57.746 56.048 -0.071 0.000 1.204 237 H CB 0.083 29.713 29.762 -0.220 0.000 1.383 237 H HN 0.239 nan 8.280 nan 0.000 0.532 238 K N 1.510 122.056 120.400 0.243 0.000 2.574 238 K HA -0.050 4.269 4.320 -0.001 0.000 0.193 238 K C 1.806 178.516 176.600 0.183 0.000 1.035 238 K CA 0.507 56.948 56.287 0.256 0.000 0.982 238 K CB -0.156 32.523 32.500 0.299 0.000 0.795 238 K HN 0.147 nan 8.250 nan 0.000 0.491 239 L N 0.705 122.027 121.223 0.164 0.000 2.056 239 L HA -0.029 4.310 4.340 -0.001 0.000 0.207 239 L C 1.796 178.638 176.870 -0.046 0.000 1.078 239 L CA 1.417 56.281 54.840 0.039 0.000 0.749 239 L CB -0.497 41.625 42.059 0.104 0.000 0.901 239 L HN 0.167 nan 8.230 nan 0.000 0.433 240 V N 0.088 119.988 119.914 -0.024 0.000 2.407 240 V HA -0.181 3.938 4.120 -0.001 0.000 0.245 240 V C 2.097 178.131 176.094 -0.100 0.000 1.041 240 V CA 1.450 63.709 62.300 -0.067 0.000 1.040 240 V CB -0.596 31.181 31.823 -0.077 0.000 0.671 240 V HN 0.348 nan 8.190 nan 0.000 0.455 241 D N 0.206 120.549 120.400 -0.094 0.000 2.311 241 D HA -0.120 4.519 4.640 -0.001 0.000 0.212 241 D C 1.933 178.027 176.300 -0.344 0.000 0.972 241 D CA 1.028 54.878 54.000 -0.250 0.000 0.887 241 D CB -0.148 40.485 40.800 -0.279 0.000 0.915 241 D HN 0.412 nan 8.370 nan 0.000 0.497 242 I N 0.422 120.880 120.570 -0.188 0.000 2.072 242 I HA -0.246 3.923 4.170 -0.001 0.000 0.235 242 I C 2.325 178.348 176.117 -0.156 0.000 1.058 242 I CA 0.856 62.059 61.300 -0.163 0.000 1.320 242 I CB -0.333 37.565 38.000 -0.170 0.000 1.047 242 I HN -0.091 nan 8.210 nan 0.000 0.397 243 V N 0.764 120.596 119.914 -0.137 0.000 2.490 243 V HA -0.253 3.866 4.120 -0.001 0.000 0.250 243 V C 2.523 178.545 176.094 -0.120 0.000 1.061 243 V CA 1.833 64.063 62.300 -0.117 0.000 1.064 243 V CB -1.162 30.602 31.823 -0.100 0.000 0.670 243 V HN 0.437 nan 8.190 nan 0.000 0.461 244 R N 0.626 121.045 120.500 -0.134 0.000 2.083 244 R HA -0.146 4.193 4.340 -0.001 0.000 0.237 244 R C 2.251 178.462 176.300 -0.149 0.000 1.137 244 R CA 2.135 58.155 56.100 -0.132 0.000 0.951 244 R CB -0.331 29.886 30.300 -0.138 0.000 0.851 244 R HN 0.486 nan 8.270 nan 0.000 0.434 245 I N 1.059 121.521 120.570 -0.179 0.000 2.439 245 I HA -0.205 3.964 4.170 -0.001 0.000 0.251 245 I C 2.288 178.286 176.117 -0.199 0.000 1.139 245 I CA 0.699 61.884 61.300 -0.193 0.000 1.438 245 I CB -0.387 37.497 38.000 -0.193 0.000 1.085 245 I HN 0.295 nan 8.210 nan 0.000 0.427 246 N N 0.825 119.433 118.700 -0.153 0.000 2.216 246 N HA -0.186 4.554 4.740 -0.001 0.000 0.183 246 N C 1.767 177.211 175.510 -0.109 0.000 1.017 246 N CA 1.255 54.234 53.050 -0.118 0.000 0.861 246 N CB 0.107 38.545 38.487 -0.080 0.000 0.986 246 N HN 0.389 nan 8.380 nan 0.000 0.428 247 E N 0.241 120.377 120.200 -0.107 0.000 2.371 247 E HA 0.032 4.381 4.350 -0.001 0.000 0.194 247 E C 1.187 177.721 176.600 -0.111 0.000 1.012 247 E CA 0.074 56.421 56.400 -0.089 0.000 0.860 247 E CB 0.206 29.861 29.700 -0.075 0.000 0.811 247 E HN 0.182 nan 8.360 nan 0.000 0.502 248 R N -0.066 120.343 120.500 -0.151 0.000 2.328 248 R HA 0.066 4.405 4.340 -0.001 0.000 0.206 248 R C 1.000 177.147 176.300 -0.256 0.000 0.990 248 R CA 0.237 56.232 56.100 -0.176 0.000 1.085 248 R CB 0.231 30.423 30.300 -0.180 0.000 0.998 248 R HN 0.169 nan 8.270 nan 0.000 0.484 249 L N -1.226 119.828 121.223 -0.282 0.000 3.135 249 L HA 0.174 4.513 4.340 -0.001 0.000 0.279 249 L C 1.115 177.926 176.870 -0.098 0.000 1.200 249 L CA 0.108 54.693 54.840 -0.426 0.000 1.016 249 L CB 0.564 42.002 42.059 -1.035 0.000 1.391 249 L HN -0.088 nan 8.230 nan 0.000 0.588 250 K N -0.105 120.266 120.400 -0.047 0.000 2.361 250 K HA 0.093 4.413 4.320 -0.001 0.000 0.194 250 K C 1.264 177.858 176.600 -0.011 0.000 1.032 250 K CA 0.241 56.536 56.287 0.013 0.000 1.048 250 K CB 0.521 33.027 32.500 0.010 0.000 0.842 250 K HN 0.245 nan 8.250 nan 0.000 0.526 251 E N 0.135 120.304 120.200 -0.052 0.000 2.230 251 E HA -0.079 4.270 4.350 -0.001 0.000 0.192 251 E C 1.697 178.273 176.600 -0.041 0.000 0.987 251 E CA 1.183 57.554 56.400 -0.049 0.000 0.841 251 E CB 0.376 30.034 29.700 -0.069 0.000 0.783 251 E HN 0.220 nan 8.360 nan 0.000 0.481 252 S N 0.293 115.961 115.700 -0.052 0.000 2.460 252 S HA 0.038 4.507 4.470 -0.001 0.000 0.226 252 S C 1.990 176.615 174.600 0.041 0.000 1.057 252 S CA -0.137 58.049 58.200 -0.022 0.000 0.948 252 S CB 0.032 63.194 63.200 -0.064 0.000 0.822 252 S HN 0.018 nan 8.310 nan 0.000 0.512 253 I N 3.417 124.040 120.570 0.089 0.000 2.226 253 I HA -0.096 4.073 4.170 -0.001 0.000 0.245 253 I C 0.890 177.053 176.117 0.077 0.000 1.100 253 I CA 1.474 62.858 61.300 0.140 0.000 1.374 253 I CB -0.951 37.191 38.000 0.237 0.000 1.057 253 I HN 0.326 nan 8.210 nan 0.000 0.413 254 D N 0.220 120.650 120.400 0.051 0.000 2.336 254 D HA 0.318 4.957 4.640 -0.001 0.000 0.228 254 D C 0.988 177.300 176.300 0.020 0.000 1.120 254 D CA 0.298 54.317 54.000 0.032 0.000 0.839 254 D CB 0.908 41.723 40.800 0.026 0.000 0.932 254 D HN 0.292 nan 8.370 nan 0.000 0.509 255 A N -0.156 122.675 122.820 0.020 0.000 2.363 255 A HA 0.581 4.900 4.320 -0.001 0.000 0.180 255 A C 0.665 178.258 177.584 0.014 0.000 1.219 255 A CA 0.053 52.097 52.037 0.011 0.000 1.864 255 A CB -0.118 18.883 19.000 0.003 0.000 2.313 255 A HN 0.068 nan 8.150 nan 0.000 0.894 256 G N 0.807 109.613 108.800 0.010 0.000 2.696 256 G HA2 0.573 4.532 3.960 -0.001 0.000 0.329 256 G HA3 0.573 4.532 3.960 -0.001 0.000 0.329 256 G C -0.127 174.783 174.900 0.018 0.000 0.973 256 G CA 0.654 45.761 45.100 0.011 0.000 1.257 256 G HN 1.252 nan 8.290 nan 0.000 0.456 257 A N 4.408 127.247 122.820 0.031 0.000 2.478 257 A HA 0.643 4.962 4.320 -0.001 0.000 0.327 257 A C -2.141 175.472 177.584 0.048 0.000 1.431 257 A CA -1.321 50.746 52.037 0.050 0.000 1.014 257 A CB 0.471 19.516 19.000 0.074 0.000 1.143 257 A HN 0.413 nan 8.150 nan 0.000 0.532 258 P HA 0.172 nan 4.420 nan 0.000 0.256 258 P C 0.237 177.573 177.300 0.060 0.000 1.689 258 P CA -0.220 62.904 63.100 0.040 0.000 1.124 258 P CB 0.405 32.122 31.700 0.027 0.000 1.766 259 Q N 1.593 121.433 119.800 0.067 0.000 2.307 259 Q HA 0.092 4.431 4.340 -0.001 0.000 0.216 259 Q C 0.196 176.239 176.000 0.072 0.000 0.931 259 Q CA 0.451 56.307 55.803 0.089 0.000 0.953 259 Q CB -0.293 28.489 28.738 0.073 0.000 1.006 259 Q HN 0.406 nan 8.270 nan 0.000 0.472 260 L N -0.799 120.460 121.223 0.061 0.000 2.749 260 L HA 0.269 4.608 4.340 -0.001 0.000 0.242 260 L C 1.295 178.199 176.870 0.056 0.000 1.103 260 L CA 0.120 54.991 54.840 0.052 0.000 0.906 260 L CB 0.583 42.664 42.059 0.036 0.000 1.228 260 L HN 0.282 nan 8.230 nan 0.000 0.517 261 I N -1.401 119.202 120.570 0.055 0.000 4.139 261 I HA 0.041 4.210 4.170 -0.001 0.000 0.335 261 I C 1.873 178.019 176.117 0.049 0.000 1.327 261 I CA 0.282 61.609 61.300 0.045 0.000 1.112 261 I CB 0.662 38.678 38.000 0.026 0.000 1.058 261 I HN 0.062 nan 8.210 nan 0.000 0.396 262 I N 1.494 122.114 120.570 0.083 0.000 3.111 262 I HA -0.127 4.042 4.170 -0.001 0.000 0.272 262 I C 1.525 177.750 176.117 0.181 0.000 1.268 262 I CA 1.221 62.581 61.300 0.100 0.000 1.467 262 I CB 0.227 38.354 38.000 0.212 0.000 1.087 262 I HN 0.260 nan 8.210 nan 0.000 0.467 263 E N 0.276 120.602 120.200 0.211 0.000 2.494 263 E HA -0.124 4.225 4.350 -0.001 0.000 0.193 263 E C 0.649 177.336 176.600 0.145 0.000 1.074 263 E CA 0.238 56.784 56.400 0.244 0.000 0.867 263 E CB 0.135 29.937 29.700 0.169 0.000 0.924 263 E HN 0.464 nan 8.360 nan 0.000 0.502 264 D N -0.293 120.156 120.400 0.082 0.000 2.333 264 D HA 0.020 4.660 4.640 -0.001 0.000 0.208 264 D C 1.389 177.699 176.300 0.018 0.000 0.984 264 D CA 0.521 54.561 54.000 0.065 0.000 0.873 264 D CB 0.389 41.216 40.800 0.044 0.000 0.935 264 D HN 0.146 nan 8.370 nan 0.000 0.521 265 L N -1.485 119.684 121.223 -0.089 0.000 2.362 265 L HA 0.130 4.470 4.340 -0.001 0.000 0.204 265 L C 1.499 178.223 176.870 -0.244 0.000 1.060 265 L CA 0.217 54.918 54.840 -0.232 0.000 0.827 265 L CB -0.079 41.721 42.059 -0.432 0.000 1.027 265 L HN 0.110 nan 8.230 nan 0.000 0.474 266 W N 0.820 122.093 121.300 -0.044 0.000 2.425 266 W HA -0.138 4.522 4.660 -0.001 0.000 0.277 266 W C 1.940 178.382 176.519 -0.129 0.000 1.231 266 W CA 0.240 57.542 57.345 -0.072 0.000 1.248 266 W CB -0.267 29.157 29.460 -0.059 0.000 1.117 266 W HN 0.142 nan 8.180 nan 0.000 0.568 267 D N -0.099 120.325 120.400 0.039 0.000 2.183 267 D HA -0.077 4.562 4.640 -0.001 0.000 0.203 267 D C 2.081 178.092 176.300 -0.481 0.000 0.969 267 D CA 0.974 54.820 54.000 -0.256 0.000 0.842 267 D CB -0.435 40.292 40.800 -0.121 0.000 0.957 267 D HN 0.125 nan 8.370 nan 0.000 0.484 268 L N 0.386 121.550 121.223 -0.098 0.000 2.610 268 L HA 0.045 4.384 4.340 -0.001 0.000 0.232 268 L C 1.690 178.598 176.870 0.064 0.000 1.149 268 L CA 0.221 55.114 54.840 0.088 0.000 0.872 268 L CB 0.049 42.189 42.059 0.136 0.000 0.992 268 L HN 0.098 nan 8.230 nan 0.000 0.447 269 L N -1.277 119.925 121.223 -0.036 0.000 2.477 269 L HA -0.059 4.280 4.340 -0.001 0.000 0.220 269 L C 1.962 178.813 176.870 -0.031 0.000 1.106 269 L CA 0.515 55.350 54.840 -0.008 0.000 0.851 269 L CB 0.087 42.156 42.059 0.017 0.000 0.994 269 L HN 0.318 nan 8.230 nan 0.000 0.462 270 Q N -1.275 118.427 119.800 -0.162 0.000 2.392 270 Q HA 0.007 4.346 4.340 -0.001 0.000 0.203 270 Q C 0.626 176.554 176.000 -0.120 0.000 0.917 270 Q CA 0.487 56.178 55.803 -0.187 0.000 0.939 270 Q CB 0.488 29.049 28.738 -0.296 0.000 1.063 270 Q HN 0.560 nan 8.270 nan 0.000 0.516 271 Y N -2.072 118.264 120.300 0.060 0.000 2.584 271 Y HA 0.210 4.759 4.550 -0.002 0.000 0.254 271 Y C 1.320 177.132 175.900 -0.147 0.000 1.177 271 Y CA -0.295 57.793 58.100 -0.020 0.000 1.216 271 Y CB 0.724 39.172 38.460 -0.020 0.000 1.172 271 Y HN 0.189 nan 8.280 nan 0.000 0.529 272 H N -2.513 116.609 119.070 0.087 0.000 2.627 272 H HA 0.102 4.657 4.556 -0.001 0.000 0.211 272 H C 1.991 177.295 175.328 -0.040 0.000 0.873 272 H CA 0.586 56.656 56.048 0.037 0.000 0.969 272 H CB 0.335 30.109 29.762 0.021 0.000 1.328 272 H HN 0.094 nan 8.280 nan 0.000 0.423 273 V N 1.748 121.663 119.914 0.002 0.000 2.307 273 V HA -0.182 3.937 4.120 -0.001 0.000 0.245 273 V C 2.748 178.605 176.094 -0.396 0.000 1.045 273 V CA 1.860 64.020 62.300 -0.233 0.000 1.024 273 V CB -0.813 30.892 31.823 -0.197 0.000 0.651 273 V HN 0.421 nan 8.190 nan 0.000 0.449 274 A N -0.781 121.958 122.820 -0.135 0.000 1.972 274 A HA -0.225 4.094 4.320 -0.001 0.000 0.219 274 A C 2.377 179.968 177.584 0.011 0.000 1.169 274 A CA 2.439 54.474 52.037 -0.003 0.000 0.635 274 A CB -0.843 18.218 19.000 0.102 0.000 0.810 274 A HN 0.497 nan 8.150 nan 0.000 0.446 275 T N -1.742 112.809 114.554 -0.005 0.000 2.737 275 T HA -0.154 4.195 4.350 -0.001 0.000 0.265 275 T C 1.725 176.433 174.700 0.013 0.000 1.038 275 T CA 1.552 63.657 62.100 0.008 0.000 1.144 275 T CB -0.419 68.427 68.868 -0.036 0.000 0.866 275 T HN 0.617 nan 8.240 nan 0.000 0.434 276 Y N 0.883 121.075 120.300 -0.180 0.000 2.384 276 Y HA -0.168 4.381 4.550 -0.002 0.000 0.289 276 Y C 1.295 177.115 175.900 -0.134 0.000 1.152 276 Y CA 1.042 59.019 58.100 -0.205 0.000 1.258 276 Y CB -0.301 37.965 38.460 -0.324 0.000 0.979 276 Y HN 0.162 nan 8.280 nan 0.000 0.549 277 F N -0.532 119.432 119.950 0.022 0.000 2.204 277 F HA 0.147 4.674 4.527 -0.001 0.000 0.276 277 F C 0.998 176.777 175.800 -0.034 0.000 1.085 277 F CA 0.181 58.148 58.000 -0.056 0.000 1.160 277 F CB -0.909 38.070 39.000 -0.035 0.000 1.091 277 F HN -0.237 nan 8.300 nan 0.000 0.522 278 D N -0.321 120.202 120.400 0.206 0.000 2.185 278 D HA 0.191 4.830 4.640 -0.001 0.000 0.247 278 D C 0.013 176.353 176.300 0.067 0.000 1.027 278 D CA -0.053 54.017 54.000 0.117 0.000 0.861 278 D CB 1.583 42.456 40.800 0.121 0.000 1.202 278 D HN -0.079 nan 8.370 nan 0.000 0.453 279 N N 0.440 119.167 118.700 0.044 0.000 2.220 279 N HA -0.019 4.720 4.740 -0.001 0.000 0.195 279 N C 0.259 175.784 175.510 0.025 0.000 1.123 279 N CA 0.147 53.213 53.050 0.027 0.000 0.874 279 N CB 0.568 39.065 38.487 0.016 0.000 0.995 279 N HN 0.296 nan 8.380 nan 0.000 0.498 280 E N 0.257 120.478 120.200 0.035 0.000 2.437 280 E HA 0.112 4.461 4.350 -0.001 0.000 0.189 280 E C 0.101 176.720 176.600 0.032 0.000 1.054 280 E CA -0.222 56.196 56.400 0.029 0.000 0.874 280 E CB 0.358 30.076 29.700 0.031 0.000 1.011 280 E HN 0.417 nan 8.360 nan 0.000 0.474 281 I N 3.732 124.327 120.570 0.041 0.000 3.015 281 I HA -0.147 4.022 4.170 -0.001 0.000 0.309 281 I C -0.977 175.160 176.117 0.034 0.000 1.229 281 I CA -0.599 60.731 61.300 0.050 0.000 1.430 281 I CB 0.075 38.112 38.000 0.061 0.000 1.347 281 I HN -0.092 nan 8.210 nan 0.000 0.544 282 P HA -0.082 nan 4.420 nan 0.000 0.215 282 P C 0.933 178.243 177.300 0.016 0.000 1.157 282 P CA 0.763 63.877 63.100 0.023 0.000 0.863 282 P CB 0.006 31.721 31.700 0.025 0.000 0.787 283 G N -0.286 108.526 108.800 0.021 0.000 2.647 283 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.271 283 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.271 283 G C 1.077 175.973 174.900 -0.007 0.000 1.300 283 G CA -0.508 44.597 45.100 0.008 0.000 0.997 283 G HN 0.138 nan 8.290 nan 0.000 0.533 284 L N 0.552 121.760 121.223 -0.024 0.000 2.129 284 L HA -0.039 4.301 4.340 -0.001 0.000 0.212 284 L C -0.706 176.132 176.870 -0.053 0.000 1.087 284 L CA 0.492 55.308 54.840 -0.040 0.000 0.757 284 L CB -1.282 40.746 42.059 -0.052 0.000 0.896 284 L HN 0.292 nan 8.230 nan 0.000 0.434 285 P HA -0.032 nan 4.420 nan 0.000 0.252 285 P C -2.320 174.946 177.300 -0.056 0.000 1.147 285 P CA -0.057 62.997 63.100 -0.077 0.000 0.779 285 P CB -0.235 31.445 31.700 -0.032 0.000 0.733 286 P HA 0.570 nan 4.420 nan 0.000 0.310 286 P C -1.327 175.934 177.300 -0.065 0.000 1.292 286 P CA -0.860 62.208 63.100 -0.053 0.000 0.861 286 P CB 1.645 33.316 31.700 -0.048 0.000 1.337 287 S N -1.925 113.752 115.700 -0.039 0.000 2.581 287 S HA 0.490 4.959 4.470 -0.001 0.000 0.306 287 S C -0.949 173.663 174.600 0.020 0.000 1.080 287 S CA -0.980 57.202 58.200 -0.029 0.000 0.925 287 S CB 0.692 63.851 63.200 -0.068 0.000 1.128 287 S HN 0.385 nan 8.310 nan 0.000 0.451 288 K N 1.289 121.709 120.400 0.034 0.000 2.279 288 K HA 0.664 4.984 4.320 -0.001 0.000 0.238 288 K C -0.820 175.857 176.600 0.127 0.000 1.084 288 K CA -1.033 55.292 56.287 0.064 0.000 0.885 288 K CB 1.276 33.791 32.500 0.026 0.000 1.319 288 K HN 0.720 nan 8.250 nan 0.000 0.494 289 H N -0.328 118.767 119.070 0.042 0.000 2.941 289 H HA 0.131 4.686 4.556 -0.002 0.000 0.344 289 H C 0.489 175.847 175.328 0.049 0.000 1.235 289 H CA -0.466 55.628 56.048 0.076 0.000 1.149 289 H CB 1.795 31.642 29.762 0.141 0.000 1.885 289 H HN 0.510 nan 8.280 nan 0.000 0.558 290 R N -0.182 120.412 120.500 0.158 0.000 2.159 290 R HA -0.203 4.136 4.340 -0.001 0.000 0.249 290 R C 1.912 178.262 176.300 0.083 0.000 1.136 290 R CA 2.279 58.443 56.100 0.106 0.000 0.951 290 R CB -1.302 29.091 30.300 0.155 0.000 0.876 290 R HN 0.273 nan 8.270 nan 0.000 0.440 291 S N -0.809 114.951 115.700 0.100 0.000 2.465 291 S HA -0.011 4.458 4.470 -0.001 0.000 0.241 291 S C 1.521 176.141 174.600 0.033 0.000 1.000 291 S CA 1.529 59.761 58.200 0.052 0.000 0.964 291 S CB -0.706 62.514 63.200 0.033 0.000 0.763 291 S HN 0.880 nan 8.310 nan 0.000 0.512 292 G N 0.256 109.079 108.800 0.039 0.000 2.258 292 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.233 292 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.233 292 G C 0.088 174.999 174.900 0.019 0.000 1.006 292 G CA -0.040 45.073 45.100 0.022 0.000 0.620 292 G HN 0.522 nan 8.290 nan 0.000 0.511 293 R N 1.978 122.489 120.500 0.019 0.000 2.351 293 R HA 0.467 4.807 4.340 -0.001 0.000 0.318 293 R C -2.405 173.904 176.300 0.015 0.000 1.055 293 R CA -1.270 54.834 56.100 0.007 0.000 0.968 293 R CB 0.377 30.672 30.300 -0.008 0.000 0.974 293 R HN 0.173 nan 8.270 nan 0.000 0.439 294 P HA -0.079 nan 4.420 nan 0.000 0.261 294 P C -0.361 176.944 177.300 0.009 0.000 1.183 294 P CA 0.194 63.302 63.100 0.013 0.000 0.761 294 P CB 0.428 32.131 31.700 0.004 0.000 0.785 295 L N 3.973 125.209 121.223 0.022 0.000 2.543 295 L HA -0.021 4.318 4.340 -0.001 0.000 0.285 295 L C 1.116 177.980 176.870 -0.010 0.000 1.236 295 L CA 0.402 55.245 54.840 0.006 0.000 0.871 295 L CB 0.014 42.100 42.059 0.044 0.000 1.121 295 L HN 0.261 nan 8.230 nan 0.000 0.501 296 R N 1.156 121.637 120.500 -0.032 0.000 3.171 296 R HA 0.179 4.518 4.340 -0.001 0.000 0.241 296 R C 0.049 176.330 176.300 -0.032 0.000 1.421 296 R CA -0.303 55.779 56.100 -0.030 0.000 1.444 296 R CB 0.069 30.345 30.300 -0.040 0.000 1.247 296 R HN 0.645 nan 8.270 nan 0.000 0.636 297 T N -2.374 112.166 114.554 -0.024 0.000 2.849 297 T HA 0.158 4.508 4.350 -0.001 0.000 0.284 297 T C 1.537 176.197 174.700 -0.067 0.000 1.004 297 T CA -0.846 61.223 62.100 -0.052 0.000 1.021 297 T CB 0.941 69.788 68.868 -0.035 0.000 1.013 297 T HN 0.419 nan 8.240 nan 0.000 0.527 298 L N 1.230 122.362 121.223 -0.153 0.000 2.095 298 L HA -0.299 4.040 4.340 -0.001 0.000 0.229 298 L C 2.845 179.711 176.870 -0.006 0.000 1.097 298 L CA 2.552 57.322 54.840 -0.117 0.000 0.813 298 L CB -0.952 40.983 42.059 -0.206 0.000 0.907 298 L HN 0.992 nan 8.230 nan 0.000 0.445 299 A N -1.669 121.173 122.820 0.036 0.000 1.970 299 A HA -0.221 4.098 4.320 -0.001 0.000 0.216 299 A C 2.043 179.660 177.584 0.055 0.000 1.170 299 A CA 1.278 53.357 52.037 0.070 0.000 0.645 299 A CB -0.470 18.591 19.000 0.102 0.000 0.816 299 A HN 0.571 nan 8.150 nan 0.000 0.447 300 Q N 0.196 120.017 119.800 0.034 0.000 2.181 300 Q HA -0.101 4.238 4.340 -0.001 0.000 0.205 300 Q C 1.060 177.074 176.000 0.023 0.000 0.980 300 Q CA 1.048 56.867 55.803 0.026 0.000 0.862 300 Q CB -0.195 28.550 28.738 0.012 0.000 0.905 300 Q HN 0.367 nan 8.270 nan 0.000 0.429 301 R N 0.145 120.653 120.500 0.014 0.000 2.459 301 R HA 0.244 4.584 4.340 -0.001 0.000 0.281 301 R C 0.530 176.852 176.300 0.036 0.000 1.050 301 R CA 0.278 56.384 56.100 0.011 0.000 1.055 301 R CB 0.381 30.674 30.300 -0.011 0.000 1.045 301 R HN 0.551 nan 8.270 nan 0.000 0.495 302 L N -0.346 120.900 121.223 0.039 0.000 4.800 302 L HA -0.254 4.085 4.340 -0.001 0.000 0.412 302 L C 0.354 177.342 176.870 0.196 0.000 1.063 302 L CA 1.380 56.273 54.840 0.088 0.000 1.114 302 L CB -1.293 40.811 42.059 0.074 0.000 2.089 302 L HN 0.561 nan 8.230 nan 0.000 0.686 303 K N 0.814 121.289 120.400 0.125 0.000 2.025 303 K HA 0.446 4.765 4.320 -0.001 0.000 0.211 303 K C 1.252 177.917 176.600 0.108 0.000 1.029 303 K CA 1.475 57.828 56.287 0.111 0.000 0.948 303 K CB -0.288 32.252 32.500 0.068 0.000 0.768 303 K HN 0.579 nan 8.250 nan 0.000 0.446 304 G N -0.349 108.500 108.800 0.082 0.000 3.302 304 G HA2 0.131 4.090 3.960 -0.001 0.000 0.170 304 G HA3 0.131 4.090 3.960 -0.001 0.000 0.170 304 G C 0.636 175.578 174.900 0.069 0.000 1.119 304 G CA -0.194 44.949 45.100 0.071 0.000 0.826 304 G HN 0.118 nan 8.290 nan 0.000 0.646 305 K N -0.380 120.052 120.400 0.053 0.000 2.127 305 K HA -0.200 4.119 4.320 -0.001 0.000 0.212 305 K C 1.706 178.332 176.600 0.042 0.000 1.050 305 K CA 2.255 58.571 56.287 0.047 0.000 0.929 305 K CB -0.042 32.478 32.500 0.033 0.000 0.715 305 K HN 0.437 nan 8.250 nan 0.000 0.457 306 E N -1.150 119.072 120.200 0.036 0.000 2.624 306 E HA 0.109 4.458 4.350 -0.001 0.000 0.210 306 E C 0.571 177.187 176.600 0.027 0.000 0.997 306 E CA -0.191 56.225 56.400 0.026 0.000 0.999 306 E CB 0.820 30.529 29.700 0.015 0.000 1.040 306 E HN 0.414 nan 8.360 nan 0.000 0.469 307 G N 0.625 109.454 108.800 0.048 0.000 2.519 307 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.161 307 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.161 307 G C 0.892 175.805 174.900 0.021 0.000 1.671 307 G CA 0.140 45.273 45.100 0.055 0.000 1.028 307 G HN 0.230 nan 8.290 nan 0.000 0.486 308 R N -2.097 118.405 120.500 0.004 0.000 2.517 308 R HA 0.292 4.631 4.340 -0.001 0.000 0.265 308 R C 1.854 178.019 176.300 -0.225 0.000 0.921 308 R CA -0.105 55.919 56.100 -0.128 0.000 1.054 308 R CB 0.313 30.482 30.300 -0.217 0.000 1.340 308 R HN 0.433 nan 8.270 nan 0.000 0.551 309 F N 0.631 120.592 119.950 0.018 0.000 2.148 309 F HA 0.178 4.705 4.527 -0.001 0.000 0.285 309 F C 2.048 177.857 175.800 0.014 0.000 1.092 309 F CA 0.773 58.783 58.000 0.018 0.000 1.218 309 F CB -0.040 38.971 39.000 0.018 0.000 1.059 309 F HN -0.210 nan 8.300 nan 0.000 0.490 310 R N 0.252 120.877 120.500 0.207 0.000 2.328 310 R HA -0.002 4.337 4.340 -0.001 0.000 0.207 310 R C 1.986 178.327 176.300 0.069 0.000 1.056 310 R CA 0.824 56.992 56.100 0.114 0.000 1.016 310 R CB -0.646 29.710 30.300 0.093 0.000 0.872 310 R HN 0.421 nan 8.270 nan 0.000 0.471 311 G N 0.340 109.172 108.800 0.053 0.000 2.645 311 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.207 311 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.207 311 G C 1.076 175.977 174.900 0.002 0.000 1.145 311 G CA -0.024 45.088 45.100 0.020 0.000 0.831 311 G HN 0.206 nan 8.290 nan 0.000 0.563 312 N N -0.801 117.887 118.700 -0.021 0.000 2.166 312 N HA 0.139 4.878 4.740 -0.001 0.000 0.222 312 N C 1.276 176.763 175.510 -0.038 0.000 1.282 312 N CA -0.141 52.889 53.050 -0.033 0.000 0.890 312 N CB 0.804 39.258 38.487 -0.055 0.000 1.114 312 N HN 0.082 nan 8.380 nan 0.000 0.494 313 L N 0.666 121.861 121.223 -0.046 0.000 2.185 313 L HA 0.258 4.598 4.340 -0.001 0.000 0.198 313 L C 2.042 178.932 176.870 0.033 0.000 1.079 313 L CA 1.484 56.307 54.840 -0.027 0.000 0.780 313 L CB -0.928 41.081 42.059 -0.084 0.000 0.955 313 L HN -0.042 nan 8.230 nan 0.000 0.462 314 S N -1.216 114.528 115.700 0.072 0.000 2.562 314 S HA 0.320 4.789 4.470 -0.001 0.000 0.221 314 S C 0.626 175.252 174.600 0.043 0.000 0.975 314 S CA 0.417 58.659 58.200 0.070 0.000 0.918 314 S CB -0.233 63.024 63.200 0.095 0.000 0.772 314 S HN 0.455 nan 8.310 nan 0.000 0.531 315 G N 0.619 109.440 108.800 0.035 0.000 2.733 315 G HA2 0.628 4.587 3.960 -0.001 0.000 0.297 315 G HA3 0.628 4.587 3.960 -0.001 0.000 0.297 315 G C -1.883 173.029 174.900 0.019 0.000 1.422 315 G CA -0.749 44.367 45.100 0.027 0.000 0.942 315 G HN 0.222 nan 8.290 nan 0.000 0.510 316 K N 1.326 121.740 120.400 0.022 0.000 2.523 316 K HA 0.420 4.739 4.320 -0.001 0.000 0.257 316 K C -0.377 176.242 176.600 0.030 0.000 0.932 316 K CA -1.065 55.234 56.287 0.020 0.000 0.812 316 K CB 2.891 35.402 32.500 0.018 0.000 1.326 316 K HN 0.562 nan 8.250 nan 0.000 0.433 317 R N 0.750 121.263 120.500 0.021 0.000 2.734 317 R HA 0.259 4.598 4.340 -0.001 0.000 0.266 317 R C 0.217 176.538 176.300 0.034 0.000 1.044 317 R CA -0.528 55.586 56.100 0.023 0.000 1.128 317 R CB 0.103 30.405 30.300 0.003 0.000 1.010 317 R HN 0.463 nan 8.270 nan 0.000 0.461 318 V N -1.884 118.057 119.914 0.045 0.000 2.789 318 V HA 0.307 4.426 4.120 -0.001 0.000 0.311 318 V C -0.418 175.706 176.094 0.049 0.000 1.073 318 V CA -1.415 60.928 62.300 0.073 0.000 0.921 318 V CB 2.138 34.052 31.823 0.152 0.000 1.009 318 V HN 0.523 nan 8.190 nan 0.000 0.426 319 D N 1.917 122.358 120.400 0.068 0.000 2.449 319 D HA 0.301 4.940 4.640 -0.001 0.000 0.236 319 D C 0.522 176.924 176.300 0.171 0.000 1.149 319 D CA 0.906 54.920 54.000 0.024 0.000 0.878 319 D CB 0.224 41.061 40.800 0.063 0.000 1.198 319 D HN 0.789 nan 8.370 nan 0.000 0.446 320 F N -1.242 118.682 119.950 -0.042 0.000 2.748 320 F HA -0.303 4.223 4.527 -0.001 0.000 0.370 320 F C 1.297 177.046 175.800 -0.085 0.000 0.620 320 F CA 0.672 58.646 58.000 -0.043 0.000 1.233 320 F CB -1.672 37.319 39.000 -0.015 0.000 1.708 320 F HN 0.252 nan 8.300 nan 0.000 0.298 321 S N 0.081 115.765 115.700 -0.027 0.000 2.572 321 S HA 0.483 4.952 4.470 -0.001 0.000 0.267 321 S C 0.301 174.827 174.600 -0.123 0.000 1.361 321 S CA 0.797 58.866 58.200 -0.217 0.000 1.009 321 S CB 1.240 64.319 63.200 -0.203 0.000 0.888 321 S HN 0.486 nan 8.310 nan 0.000 0.553 322 S N 1.378 116.997 115.700 -0.135 0.000 2.602 322 S HA 0.394 4.864 4.470 -0.001 0.000 0.301 322 S C -1.474 173.206 174.600 0.134 0.000 1.091 322 S CA -0.724 57.493 58.200 0.027 0.000 0.895 322 S CB 0.915 64.202 63.200 0.145 0.000 1.090 322 S HN 0.845 nan 8.310 nan 0.000 0.449 323 R N 2.463 123.043 120.500 0.134 0.000 2.621 323 R HA 0.816 5.155 4.340 -0.001 0.000 0.292 323 R C -1.225 175.125 176.300 0.085 0.000 0.969 323 R CA -0.257 55.928 56.100 0.143 0.000 0.887 323 R CB 1.867 32.175 30.300 0.014 0.000 1.180 323 R HN 0.739 nan 8.270 nan 0.000 0.450 324 T N 1.193 115.812 114.554 0.108 0.000 2.711 324 T HA 0.204 4.554 4.350 -0.001 0.000 0.302 324 T C -0.644 174.052 174.700 -0.006 0.000 1.373 324 T CA -0.633 61.400 62.100 -0.111 0.000 1.000 324 T CB 1.185 69.725 68.868 -0.546 0.000 1.483 324 T HN 0.463 nan 8.240 nan 0.000 0.499 325 V N 0.673 120.559 119.914 -0.047 0.000 2.881 325 V HA 0.774 4.894 4.120 -0.001 0.000 0.303 325 V C -0.022 176.123 176.094 0.084 0.000 1.070 325 V CA -0.678 61.636 62.300 0.022 0.000 1.074 325 V CB 0.184 32.011 31.823 0.006 0.000 1.012 325 V HN 0.871 nan 8.190 nan 0.000 0.482 326 I N 1.619 122.292 120.570 0.173 0.000 2.404 326 I HA 0.767 4.936 4.170 -0.001 0.000 0.293 326 I C -0.066 176.239 176.117 0.314 0.000 0.992 326 I CA -0.192 61.285 61.300 0.295 0.000 1.149 326 I CB 1.912 40.111 38.000 0.332 0.000 1.315 326 I HN 0.571 nan 8.210 nan 0.000 0.446 327 S N 6.105 121.893 115.700 0.146 0.000 2.472 327 S HA 0.565 5.035 4.470 -0.001 0.000 0.303 327 S C -2.513 171.770 174.600 -0.528 0.000 1.099 327 S CA -1.204 56.891 58.200 -0.175 0.000 1.077 327 S CB 1.590 64.720 63.200 -0.118 0.000 1.031 327 S HN 0.540 nan 8.310 nan 0.000 0.487 328 P HA 0.200 nan 4.420 nan 0.000 0.265 328 P C -0.990 176.106 177.300 -0.339 0.000 1.193 328 P CA 0.137 62.649 63.100 -0.979 0.000 0.765 328 P CB 0.348 31.521 31.700 -0.878 0.000 0.823 329 D N 3.468 123.782 120.400 -0.143 0.000 2.613 329 D HA 0.179 4.818 4.640 -0.001 0.000 0.230 329 D C -2.192 174.119 176.300 0.019 0.000 1.365 329 D CA -1.607 52.360 54.000 -0.055 0.000 0.976 329 D CB 1.921 42.697 40.800 -0.041 0.000 1.415 329 D HN -0.006 nan 8.370 nan 0.000 0.589 330 P HA -0.020 nan 4.420 nan 0.000 0.213 330 P C 0.022 177.373 177.300 0.086 0.000 1.169 330 P CA 0.529 63.700 63.100 0.118 0.000 0.885 330 P CB 0.292 32.063 31.700 0.119 0.000 0.779 331 N N 1.816 120.547 118.700 0.052 0.000 2.492 331 N HA 0.168 4.907 4.740 -0.001 0.000 0.260 331 N C 0.305 175.828 175.510 0.021 0.000 1.215 331 N CA 0.392 53.461 53.050 0.032 0.000 0.923 331 N CB 0.035 38.535 38.487 0.022 0.000 1.092 331 N HN 0.075 nan 8.380 nan 0.000 0.448 332 I N -0.518 120.062 120.570 0.017 0.000 6.596 332 I HA -0.219 3.950 4.170 -0.001 0.000 0.310 332 I C -0.130 175.996 176.117 0.015 0.000 1.828 332 I CA -0.282 61.027 61.300 0.015 0.000 2.037 332 I CB -0.462 37.544 38.000 0.011 0.000 3.514 332 I HN 0.636 nan 8.210 nan 0.000 0.169 333 S N 6.525 122.233 115.700 0.013 0.000 2.576 333 S HA 0.339 4.808 4.470 -0.001 0.000 0.276 333 S C 1.610 176.213 174.600 0.004 0.000 1.339 333 S CA -0.511 57.692 58.200 0.006 0.000 1.039 333 S CB 0.750 63.961 63.200 0.018 0.000 0.902 333 S HN 0.465 nan 8.310 nan 0.000 0.516 334 I N 3.031 123.592 120.570 -0.015 0.000 2.161 334 I HA -0.273 3.896 4.170 -0.001 0.000 0.246 334 I C 1.896 177.981 176.117 -0.054 0.000 1.048 334 I CA 1.893 63.176 61.300 -0.028 0.000 1.314 334 I CB -1.444 36.536 38.000 -0.034 0.000 1.014 334 I HN 0.711 nan 8.210 nan 0.000 0.418 335 D N 0.464 120.837 120.400 -0.045 0.000 2.085 335 D HA -0.060 4.579 4.640 -0.001 0.000 0.199 335 D C 0.932 177.186 176.300 -0.077 0.000 0.981 335 D CA 0.521 54.449 54.000 -0.120 0.000 0.834 335 D CB -0.247 40.535 40.800 -0.031 0.000 0.992 335 D HN 0.449 nan 8.370 nan 0.000 0.457 336 E N 0.269 120.475 120.200 0.009 0.000 2.459 336 E HA 0.108 4.458 4.350 -0.001 0.000 0.264 336 E C -0.524 176.105 176.600 0.047 0.000 1.055 336 E CA 0.119 56.540 56.400 0.035 0.000 0.957 336 E CB 1.250 30.962 29.700 0.020 0.000 0.952 336 E HN -0.139 nan 8.360 nan 0.000 0.448 337 V N 1.759 121.634 119.914 -0.065 0.000 2.495 337 V HA 0.352 4.471 4.120 -0.001 0.000 0.298 337 V C 0.295 176.323 176.094 -0.111 0.000 1.031 337 V CA -0.494 61.635 62.300 -0.285 0.000 0.871 337 V CB 1.923 33.351 31.823 -0.660 0.000 0.988 337 V HN 0.776 nan 8.190 nan 0.000 0.432 338 G N 4.492 113.253 108.800 -0.066 0.000 2.396 338 G HA2 0.439 4.399 3.960 -0.001 0.000 0.292 338 G HA3 0.439 4.399 3.960 -0.001 0.000 0.292 338 G C -0.565 174.399 174.900 0.106 0.000 1.106 338 G CA -0.042 45.064 45.100 0.010 0.000 1.055 338 G HN 0.509 nan 8.290 nan 0.000 0.424 339 V N 5.787 125.755 119.914 0.090 0.000 2.435 339 V HA 0.297 4.416 4.120 -0.001 0.000 0.290 339 V C -1.931 174.170 176.094 0.011 0.000 1.030 339 V CA -1.762 60.637 62.300 0.165 0.000 0.881 339 V CB 2.403 34.333 31.823 0.180 0.000 0.983 339 V HN 0.526 nan 8.190 nan 0.000 0.445 340 P HA 0.053 nan 4.420 nan 0.000 0.267 340 P C 0.818 178.050 177.300 -0.114 0.000 1.205 340 P CA 0.234 63.266 63.100 -0.113 0.000 0.765 340 P CB 0.519 32.116 31.700 -0.171 0.000 0.828 341 E N 3.470 123.566 120.200 -0.173 0.000 2.187 341 E HA -0.235 4.114 4.350 -0.001 0.000 0.199 341 E C 1.163 177.721 176.600 -0.069 0.000 1.004 341 E CA 1.332 57.601 56.400 -0.218 0.000 0.813 341 E CB -0.048 29.495 29.700 -0.262 0.000 0.736 341 E HN 0.270 nan 8.360 nan 0.000 0.468 342 I N 1.163 121.702 120.570 -0.051 0.000 2.162 342 I HA -0.250 3.919 4.170 -0.001 0.000 0.238 342 I C 2.439 178.555 176.117 -0.003 0.000 1.076 342 I CA 0.833 62.125 61.300 -0.013 0.000 1.353 342 I CB -1.372 36.605 38.000 -0.038 0.000 1.063 342 I HN 0.198 nan 8.210 nan 0.000 0.408 343 I N 1.604 122.161 120.570 -0.022 0.000 2.399 343 I HA -0.243 3.926 4.170 -0.001 0.000 0.254 343 I C 2.648 178.803 176.117 0.063 0.000 1.146 343 I CA 1.519 62.830 61.300 0.018 0.000 1.412 343 I CB -1.404 36.618 38.000 0.036 0.000 1.076 343 I HN 0.172 nan 8.210 nan 0.000 0.432 344 A N 0.507 123.361 122.820 0.058 0.000 1.970 344 A HA -0.114 4.205 4.320 -0.001 0.000 0.216 344 A C 2.371 180.046 177.584 0.153 0.000 1.170 344 A CA 0.800 52.904 52.037 0.112 0.000 0.645 344 A CB -0.166 18.875 19.000 0.068 0.000 0.816 344 A HN 0.316 nan 8.150 nan 0.000 0.447 345 K N -0.456 120.023 120.400 0.132 0.000 2.005 345 K HA -0.059 4.260 4.320 -0.001 0.000 0.206 345 K C 1.949 178.438 176.600 -0.186 0.000 1.044 345 K CA 1.713 58.001 56.287 0.002 0.000 0.942 345 K CB -0.545 32.081 32.500 0.210 0.000 0.727 345 K HN 0.480 nan 8.250 nan 0.000 0.439 346 T N 1.695 116.212 114.554 -0.063 0.000 2.946 346 T HA -0.054 4.295 4.350 -0.001 0.000 0.271 346 T C 0.949 175.606 174.700 -0.071 0.000 1.104 346 T CA 0.785 62.840 62.100 -0.075 0.000 1.114 346 T CB -0.162 68.675 68.868 -0.051 0.000 0.867 346 T HN 0.002 nan 8.240 nan 0.000 0.513 347 L N 1.914 123.129 121.223 -0.014 0.000 2.325 347 L HA 0.501 4.840 4.340 -0.001 0.000 0.279 347 L C 0.566 177.503 176.870 0.112 0.000 1.054 347 L CA -0.787 54.116 54.840 0.105 0.000 0.804 347 L CB 1.575 43.736 42.059 0.169 0.000 1.200 347 L HN 0.123 nan 8.230 nan 0.000 0.436 348 T N -0.128 114.612 114.554 0.309 0.000 2.908 348 T HA 0.732 5.081 4.350 -0.001 0.000 0.290 348 T C -0.641 174.082 174.700 0.039 0.000 1.034 348 T CA -0.743 61.465 62.100 0.180 0.000 1.010 348 T CB 1.843 70.836 68.868 0.209 0.000 1.068 348 T HN 0.265 nan 8.240 nan 0.000 0.481 349 V N 1.472 121.384 119.914 -0.003 0.000 2.407 349 V HA 0.532 4.651 4.120 -0.001 0.000 0.291 349 V C -2.444 173.643 176.094 -0.012 0.000 1.018 349 V CA -2.465 59.800 62.300 -0.058 0.000 0.842 349 V CB 1.223 33.034 31.823 -0.021 0.000 0.996 349 V HN 0.839 nan 8.190 nan 0.000 0.426 350 P HA 0.121 nan 4.420 nan 0.000 0.241 350 P C -0.055 177.264 177.300 0.031 0.000 1.760 350 P CA 0.268 63.374 63.100 0.009 0.000 1.081 350 P CB 0.128 31.813 31.700 -0.024 0.000 1.975 351 E N 3.198 123.434 120.200 0.060 0.000 2.223 351 E HA 0.109 4.459 4.350 -0.001 0.000 0.282 351 E C 0.049 176.704 176.600 0.092 0.000 1.046 351 E CA -0.791 55.657 56.400 0.079 0.000 0.857 351 E CB 0.620 30.382 29.700 0.105 0.000 1.055 351 E HN 0.229 nan 8.360 nan 0.000 0.409 352 R N 3.533 124.083 120.500 0.083 0.000 2.637 352 R HA 0.290 4.629 4.340 -0.001 0.000 0.269 352 R C -0.098 176.256 176.300 0.090 0.000 1.089 352 R CA -0.631 55.521 56.100 0.085 0.000 1.177 352 R CB 0.320 30.660 30.300 0.066 0.000 1.091 352 R HN 0.495 nan 8.270 nan 0.000 0.540 353 I N 1.204 121.826 120.570 0.087 0.000 2.342 353 I HA 0.102 4.271 4.170 -0.001 0.000 0.291 353 I C 0.796 176.917 176.117 0.008 0.000 1.010 353 I CA 0.302 61.635 61.300 0.056 0.000 1.308 353 I CB 1.472 39.508 38.000 0.060 0.000 1.400 353 I HN 0.743 nan 8.210 nan 0.000 0.488 354 T N 4.051 118.576 114.554 -0.049 0.000 2.762 354 T HA 0.647 4.996 4.350 -0.001 0.000 0.272 354 T C -2.647 171.801 174.700 -0.419 0.000 0.982 354 T CA -2.070 59.913 62.100 -0.196 0.000 1.013 354 T CB 1.255 70.034 68.868 -0.148 0.000 1.309 354 T HN 0.133 nan 8.240 nan 0.000 0.572 355 P HA -0.013 nan 4.420 nan 0.000 0.276 355 P C 0.447 177.112 177.300 -1.059 0.000 1.264 355 P CA 0.512 63.040 63.100 -0.954 0.000 0.815 355 P CB -0.159 30.742 31.700 -1.332 0.000 1.121 356 W N -1.725 119.572 121.300 -0.006 0.000 1.739 356 W HA -0.425 4.234 4.660 -0.001 0.000 0.293 356 W C 1.512 178.018 176.519 -0.021 0.000 1.858 356 W CA 1.918 59.256 57.345 -0.011 0.000 2.194 356 W CB -2.878 26.580 29.460 -0.004 0.000 0.951 356 W HN 0.481 nan 8.180 nan 0.000 0.448 357 N N 2.675 121.588 118.700 0.355 0.000 2.182 357 N HA -0.267 4.472 4.740 -0.001 0.000 0.192 357 N C 1.620 177.157 175.510 0.046 0.000 1.007 357 N CA 2.701 55.863 53.050 0.186 0.000 0.873 357 N CB -0.876 37.743 38.487 0.221 0.000 0.998 357 N HN 0.761 nan 8.380 nan 0.000 0.436 358 I N 0.770 121.338 120.570 -0.004 0.000 2.800 358 I HA -0.244 3.926 4.170 -0.001 0.000 0.266 358 I C 1.741 177.814 176.117 -0.073 0.000 1.249 358 I CA 1.230 62.500 61.300 -0.050 0.000 1.458 358 I CB 0.062 38.014 38.000 -0.081 0.000 1.093 358 I HN 0.167 nan 8.210 nan 0.000 0.466 359 E N 0.425 120.584 120.200 -0.067 0.000 2.030 359 E HA -0.172 4.178 4.350 -0.001 0.000 0.189 359 E C 2.099 178.590 176.600 -0.183 0.000 0.974 359 E CA 0.693 57.033 56.400 -0.099 0.000 0.807 359 E CB -0.168 29.493 29.700 -0.065 0.000 0.771 359 E HN 0.298 nan 8.360 nan 0.000 0.451 360 K N 0.539 120.813 120.400 -0.209 0.000 2.097 360 K HA -0.156 4.163 4.320 -0.001 0.000 0.206 360 K C 2.076 178.256 176.600 -0.699 0.000 1.049 360 K CA 0.694 56.718 56.287 -0.439 0.000 0.933 360 K CB -0.020 32.295 32.500 -0.307 0.000 0.717 360 K HN -0.006 nan 8.250 nan 0.000 0.442 361 L N 1.066 122.106 121.223 -0.306 0.000 2.056 361 L HA -0.121 4.219 4.340 -0.001 0.000 0.207 361 L C 2.308 179.101 176.870 -0.128 0.000 1.078 361 L CA 1.483 56.249 54.840 -0.124 0.000 0.749 361 L CB -0.335 41.738 42.059 0.024 0.000 0.901 361 L HN 0.082 nan 8.230 nan 0.000 0.433 362 R N -1.310 119.098 120.500 -0.152 0.000 2.103 362 R HA -0.249 4.090 4.340 -0.001 0.000 0.242 362 R C 2.296 178.502 176.300 -0.158 0.000 1.142 362 R CA 1.585 57.606 56.100 -0.131 0.000 0.960 362 R CB -0.195 30.032 30.300 -0.123 0.000 0.858 362 R HN 0.306 nan 8.270 nan 0.000 0.439 363 Q N -0.119 119.510 119.800 -0.286 0.000 2.096 363 Q HA -0.124 4.215 4.340 -0.001 0.000 0.204 363 Q C 1.660 177.544 176.000 -0.193 0.000 0.982 363 Q CA 1.848 57.471 55.803 -0.300 0.000 0.850 363 Q CB -0.241 28.230 28.738 -0.444 0.000 0.901 363 Q HN 0.386 nan 8.270 nan 0.000 0.422 364 F N -1.571 118.329 119.950 -0.083 0.000 2.146 364 F HA -0.128 4.398 4.527 -0.001 0.000 0.298 364 F C 2.290 178.054 175.800 -0.061 0.000 1.096 364 F CA 0.628 58.570 58.000 -0.097 0.000 1.275 364 F CB -0.301 38.656 39.000 -0.071 0.000 1.008 364 F HN 0.024 nan 8.300 nan 0.000 0.480 365 V N 0.826 120.815 119.914 0.124 0.000 2.970 365 V HA -0.161 3.958 4.120 -0.001 0.000 0.260 365 V C 1.842 177.948 176.094 0.020 0.000 1.100 365 V CA 1.099 63.440 62.300 0.067 0.000 1.122 365 V CB -0.300 31.545 31.823 0.037 0.000 0.721 365 V HN 0.390 nan 8.190 nan 0.000 0.483 366 I N 0.648 121.216 120.570 -0.004 0.000 2.277 366 I HA -0.159 4.010 4.170 -0.001 0.000 0.243 366 I C 2.059 178.176 176.117 -0.001 0.000 1.094 366 I CA 2.031 63.323 61.300 -0.013 0.000 1.393 366 I CB -0.755 37.225 38.000 -0.033 0.000 1.078 366 I HN 0.367 nan 8.210 nan 0.000 0.417 367 N N 1.302 120.005 118.700 0.004 0.000 2.137 367 N HA -0.070 4.670 4.740 -0.001 0.000 0.190 367 N C 1.238 176.748 175.510 0.001 0.000 1.017 367 N CA 1.736 54.785 53.050 -0.001 0.000 0.859 367 N CB -0.350 38.133 38.487 -0.006 0.000 1.002 367 N HN 0.701 nan 8.380 nan 0.000 0.428 368 G N -0.819 107.994 108.800 0.022 0.000 2.545 368 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.240 368 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.240 368 G C -2.126 172.826 174.900 0.088 0.000 1.172 368 G CA 0.056 45.182 45.100 0.043 0.000 0.949 368 G HN 0.224 nan 8.290 nan 0.000 0.574 369 P HA 0.293 nan 4.420 nan 0.000 0.282 369 P C 0.355 177.754 177.300 0.166 0.000 1.327 369 P CA 0.658 63.907 63.100 0.249 0.000 0.949 369 P CB 0.798 32.598 31.700 0.167 0.000 1.445 370 D N -0.128 120.316 120.400 0.074 0.000 2.214 370 D HA -0.002 4.638 4.640 -0.001 0.000 0.217 370 D C 0.916 177.249 176.300 0.056 0.000 0.973 370 D CA 1.004 55.044 54.000 0.067 0.000 0.880 370 D CB 0.189 41.018 40.800 0.048 0.000 1.031 370 D HN 0.031 nan 8.370 nan 0.000 0.468 371 K N 0.526 120.936 120.400 0.017 0.000 2.098 371 K HA 0.009 4.328 4.320 -0.001 0.000 0.257 371 K C 0.833 177.423 176.600 -0.018 0.000 0.999 371 K CA -0.626 55.680 56.287 0.031 0.000 0.924 371 K CB 1.507 34.022 32.500 0.024 0.000 1.028 371 K HN -0.063 nan 8.250 nan 0.000 0.466 372 W N 5.229 126.460 121.300 -0.115 0.000 2.194 372 W HA -0.163 4.496 4.660 -0.002 0.000 0.323 372 W C -1.469 174.831 176.519 -0.365 0.000 1.222 372 W CA 1.301 58.545 57.345 -0.169 0.000 1.136 372 W CB -1.736 27.693 29.460 -0.051 0.000 1.162 372 W HN 0.448 nan 8.180 nan 0.000 0.466 373 P HA 0.263 nan 4.420 nan 0.000 0.266 373 P C -0.075 176.911 177.300 -0.524 0.000 1.419 373 P CA 0.840 63.302 63.100 -1.062 0.000 1.112 373 P CB 0.220 31.441 31.700 -0.799 0.000 1.438 374 G N 1.506 109.851 108.800 -0.759 0.000 3.222 374 G HA2 0.704 4.663 3.960 -0.001 0.000 0.263 374 G HA3 0.704 4.663 3.960 -0.001 0.000 0.263 374 G C -1.419 173.592 174.900 0.185 0.000 1.312 374 G CA -0.853 44.054 45.100 -0.322 0.000 0.934 374 G HN 0.254 nan 8.290 nan 0.000 0.577 375 A N 0.544 123.574 122.820 0.350 0.000 3.399 375 A HA 0.343 4.662 4.320 -0.001 0.000 0.262 375 A C 0.022 177.744 177.584 0.230 0.000 1.145 375 A CA -0.610 51.611 52.037 0.306 0.000 0.916 375 A CB -0.721 18.414 19.000 0.225 0.000 1.360 375 A HN 0.672 nan 8.150 nan 0.000 0.628 376 N N 1.397 120.233 118.700 0.228 0.000 2.429 376 N HA 0.219 4.958 4.740 -0.001 0.000 0.298 376 N C -0.861 174.821 175.510 0.287 0.000 1.256 376 N CA 0.658 53.808 53.050 0.167 0.000 1.090 376 N CB -0.212 38.347 38.487 0.120 0.000 1.477 376 N HN 0.508 nan 8.380 nan 0.000 0.491 377 Y N -1.125 119.184 120.300 0.015 0.000 2.889 377 Y HA -0.104 4.445 4.550 -0.002 0.000 0.395 377 Y C -1.187 174.743 175.900 0.050 0.000 1.096 377 Y CA -0.742 57.370 58.100 0.019 0.000 1.925 377 Y CB 0.007 38.482 38.460 0.025 0.000 1.628 377 Y HN 0.201 nan 8.280 nan 0.000 0.650 378 V N 6.315 126.339 119.914 0.182 0.000 3.138 378 V HA 0.433 4.552 4.120 -0.001 0.000 0.307 378 V C -0.533 175.673 176.094 0.187 0.000 0.985 378 V CA -0.378 62.019 62.300 0.162 0.000 1.291 378 V CB -0.204 31.674 31.823 0.091 0.000 0.933 378 V HN 0.604 nan 8.190 nan 0.000 0.504 379 I N 3.913 124.610 120.570 0.213 0.000 2.996 379 I HA 0.000 4.169 4.170 -0.001 0.000 0.311 379 I C 1.231 177.450 176.117 0.170 0.000 1.219 379 I CA 0.950 62.354 61.300 0.174 0.000 1.452 379 I CB 0.081 38.166 38.000 0.142 0.000 1.319 379 I HN 0.477 nan 8.210 nan 0.000 0.564 380 R N 7.680 128.245 120.500 0.109 0.000 2.541 380 R HA 0.262 4.601 4.340 -0.001 0.000 0.263 380 R C -1.362 174.843 176.300 -0.158 0.000 1.112 380 R CA -1.463 54.630 56.100 -0.012 0.000 1.170 380 R CB 0.188 30.482 30.300 -0.010 0.000 1.167 380 R HN 0.406 nan 8.270 nan 0.000 0.582 381 P HA -0.100 nan 4.420 nan 0.000 0.226 381 P C -0.116 177.096 177.300 -0.147 0.000 1.153 381 P CA 1.215 64.159 63.100 -0.260 0.000 0.777 381 P CB 0.219 31.702 31.700 -0.362 0.000 0.794 382 D N -0.709 119.613 120.400 -0.130 0.000 2.347 382 D HA 0.031 4.670 4.640 -0.001 0.000 0.215 382 D C 1.701 177.985 176.300 -0.027 0.000 0.976 382 D CA 1.204 55.166 54.000 -0.064 0.000 0.884 382 D CB -0.101 40.671 40.800 -0.045 0.000 0.915 382 D HN 0.224 nan 8.370 nan 0.000 0.526 383 G N 1.652 110.440 108.800 -0.019 0.000 2.225 383 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.254 383 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.254 383 G C 0.621 175.543 174.900 0.037 0.000 0.988 383 G CA -0.067 45.041 45.100 0.013 0.000 0.625 383 G HN 0.292 nan 8.290 nan 0.000 0.527 384 R N 1.381 121.900 120.500 0.032 0.000 2.561 384 R HA 0.301 4.641 4.340 -0.001 0.000 0.347 384 R C 0.851 177.197 176.300 0.077 0.000 0.916 384 R CA 0.103 56.232 56.100 0.049 0.000 1.063 384 R CB -0.081 30.244 30.300 0.041 0.000 0.916 384 R HN 0.350 nan 8.270 nan 0.000 0.410 385 R N 4.598 125.159 120.500 0.100 0.000 2.357 385 R HA 0.117 4.456 4.340 -0.001 0.000 0.330 385 R C -0.262 176.069 176.300 0.052 0.000 1.102 385 R CA 0.101 56.291 56.100 0.151 0.000 0.974 385 R CB 0.261 30.722 30.300 0.268 0.000 1.002 385 R HN 0.549 nan 8.270 nan 0.000 0.463 386 I N 3.036 123.608 120.570 0.004 0.000 2.321 386 I HA 0.040 4.209 4.170 -0.001 0.000 0.291 386 I C 0.714 176.676 176.117 -0.258 0.000 0.998 386 I CA -0.358 60.899 61.300 -0.072 0.000 1.227 386 I CB 1.106 39.107 38.000 0.001 0.000 1.368 386 I HN 0.546 nan 8.210 nan 0.000 0.466 387 D N 4.592 124.763 120.400 -0.381 0.000 2.325 387 D HA 0.016 4.655 4.640 -0.001 0.000 0.237 387 D C 0.378 176.435 176.300 -0.404 0.000 1.328 387 D CA 0.599 54.216 54.000 -0.639 0.000 0.918 387 D CB 1.222 41.675 40.800 -0.577 0.000 1.156 387 D HN 0.475 nan 8.370 nan 0.000 0.485 388 L N 0.192 121.164 121.223 -0.418 0.000 3.503 388 L HA 0.159 4.498 4.340 -0.001 0.000 0.327 388 L C 2.250 178.997 176.870 -0.204 0.000 1.108 388 L CA -0.293 54.417 54.840 -0.216 0.000 1.214 388 L CB 0.021 42.015 42.059 -0.109 0.000 1.806 388 L HN 0.239 nan 8.230 nan 0.000 0.610 389 R N 0.003 120.300 120.500 -0.339 0.000 2.083 389 R HA -0.110 4.229 4.340 -0.001 0.000 0.237 389 R C 0.271 176.463 176.300 -0.180 0.000 1.137 389 R CA 2.308 58.250 56.100 -0.264 0.000 0.951 389 R CB -0.431 29.675 30.300 -0.324 0.000 0.851 389 R HN 0.397 nan 8.270 nan 0.000 0.434 390 Y N -2.346 117.945 120.300 -0.015 0.000 2.853 390 Y HA 0.524 5.074 4.550 -0.001 0.000 0.332 390 Y C 0.269 176.157 175.900 -0.022 0.000 1.229 390 Y CA -2.211 55.881 58.100 -0.013 0.000 1.177 390 Y CB 0.259 38.712 38.460 -0.012 0.000 1.435 390 Y HN -0.263 nan 8.280 nan 0.000 0.659 391 V N 0.216 120.298 119.914 0.279 0.000 3.457 391 V HA -0.236 3.883 4.120 -0.001 0.000 0.472 391 V C 0.530 176.666 176.094 0.071 0.000 0.682 391 V CA -0.018 62.365 62.300 0.137 0.000 1.992 391 V CB -1.663 30.227 31.823 0.112 0.000 2.437 391 V HN 0.873 nan 8.190 nan 0.000 0.499 392 K N 2.834 123.267 120.400 0.055 0.000 1.970 392 K HA -0.112 4.207 4.320 -0.001 0.000 0.225 392 K C 1.539 178.151 176.600 0.019 0.000 1.045 392 K CA 1.926 58.233 56.287 0.034 0.000 1.002 392 K CB -0.356 32.159 32.500 0.025 0.000 0.743 392 K HN 0.902 nan 8.250 nan 0.000 0.445 393 D N -1.045 119.363 120.400 0.013 0.000 3.623 393 D HA -0.419 4.220 4.640 -0.001 0.000 0.520 393 D C 1.295 177.592 176.300 -0.004 0.000 0.559 393 D CA 2.659 56.661 54.000 0.003 0.000 1.194 393 D CB -0.373 40.429 40.800 0.002 0.000 0.265 393 D HN 0.343 nan 8.370 nan 0.000 0.226 394 R N -0.082 120.412 120.500 -0.009 0.000 1.300 394 R HA -0.335 4.004 4.340 -0.001 0.000 0.029 394 R C 1.861 178.147 176.300 -0.024 0.000 0.959 394 R CA 2.762 58.853 56.100 -0.015 0.000 1.961 394 R CB -1.391 28.907 30.300 -0.004 0.000 0.177 394 R HN 0.337 nan 8.270 nan 0.000 0.727 395 K N 0.323 120.711 120.400 -0.019 0.000 2.127 395 K HA -0.239 4.080 4.320 -0.001 0.000 0.208 395 K C 1.644 178.224 176.600 -0.033 0.000 1.047 395 K CA 2.358 58.630 56.287 -0.025 0.000 0.927 395 K CB -0.124 32.364 32.500 -0.019 0.000 0.716 395 K HN 0.486 nan 8.250 nan 0.000 0.450 396 E N 0.165 120.348 120.200 -0.028 0.000 2.021 396 E HA -0.075 4.274 4.350 -0.001 0.000 0.189 396 E C 1.813 178.385 176.600 -0.046 0.000 0.980 396 E CA 0.780 57.161 56.400 -0.031 0.000 0.803 396 E CB 0.006 29.694 29.700 -0.020 0.000 0.766 396 E HN 0.169 nan 8.360 nan 0.000 0.449 397 L N 0.962 122.158 121.223 -0.044 0.000 2.633 397 L HA -0.040 4.299 4.340 -0.001 0.000 0.235 397 L C 2.145 178.952 176.870 -0.104 0.000 1.163 397 L CA 0.105 54.906 54.840 -0.066 0.000 0.859 397 L CB -0.302 41.731 42.059 -0.042 0.000 0.973 397 L HN 0.178 nan 8.230 nan 0.000 0.451 398 A N 0.051 122.819 122.820 -0.085 0.000 1.898 398 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 398 A C 2.358 179.865 177.584 -0.128 0.000 1.181 398 A CA 1.846 53.825 52.037 -0.097 0.000 0.620 398 A CB -0.349 18.610 19.000 -0.070 0.000 0.819 398 A HN 0.482 nan 8.150 nan 0.000 0.442 399 S N -1.579 114.055 115.700 -0.110 0.000 2.556 399 S HA 0.041 4.510 4.470 -0.001 0.000 0.216 399 S C 1.245 175.771 174.600 -0.123 0.000 0.970 399 S CA 0.744 58.880 58.200 -0.106 0.000 0.912 399 S CB -0.316 62.841 63.200 -0.071 0.000 0.790 399 S HN 0.429 nan 8.310 nan 0.000 0.504 400 T N 2.861 117.316 114.554 -0.165 0.000 2.915 400 T HA 0.156 4.506 4.350 -0.001 0.000 0.269 400 T C 0.687 175.166 174.700 -0.368 0.000 1.071 400 T CA 0.353 62.340 62.100 -0.189 0.000 1.132 400 T CB -0.512 68.249 68.868 -0.177 0.000 0.878 400 T HN 0.400 nan 8.240 nan 0.000 0.479 401 L N 2.053 122.971 121.223 -0.509 0.000 2.628 401 L HA 0.280 4.620 4.340 -0.001 0.000 0.274 401 L C 0.347 177.093 176.870 -0.207 0.000 1.209 401 L CA -0.516 53.959 54.840 -0.607 0.000 0.930 401 L CB -0.300 41.546 42.059 -0.356 0.000 1.183 401 L HN 0.187 nan 8.230 nan 0.000 0.492 402 A N 6.067 128.906 122.820 0.032 0.000 2.475 402 A HA 0.752 5.071 4.320 -0.001 0.000 0.301 402 A C -2.543 175.164 177.584 0.205 0.000 1.059 402 A CA -1.778 50.332 52.037 0.122 0.000 0.710 402 A CB 1.395 20.471 19.000 0.127 0.000 1.288 402 A HN 0.430 nan 8.150 nan 0.000 0.408 403 P HA 0.081 nan 4.420 nan 0.000 0.255 403 P C 1.046 178.380 177.300 0.056 0.000 1.141 403 P CA 2.321 65.442 63.100 0.035 0.000 0.767 403 P CB 0.107 31.782 31.700 -0.042 0.000 0.726 404 G N 2.433 111.268 108.800 0.058 0.000 3.514 404 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.197 404 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.197 404 G C -0.550 174.310 174.900 -0.067 0.000 1.098 404 G CA -0.596 44.481 45.100 -0.039 0.000 0.884 404 G HN 0.366 nan 8.290 nan 0.000 0.433 405 Y N 1.067 121.370 120.300 0.005 0.000 2.411 405 Y HA 0.579 5.128 4.550 -0.002 0.000 0.333 405 Y C 0.631 176.548 175.900 0.028 0.000 1.186 405 Y CA 0.083 58.194 58.100 0.019 0.000 1.381 405 Y CB 0.668 39.139 38.460 0.017 0.000 1.273 405 Y HN 0.085 nan 8.280 nan 0.000 0.546 406 I N 4.859 125.536 120.570 0.178 0.000 2.390 406 I HA 0.250 4.419 4.170 -0.001 0.000 0.283 406 I C -0.581 175.627 176.117 0.152 0.000 1.016 406 I CA -0.512 60.868 61.300 0.132 0.000 1.151 406 I CB 0.673 38.725 38.000 0.087 0.000 1.293 406 I HN 0.394 nan 8.210 nan 0.000 0.458 407 I N 2.362 123.021 120.570 0.148 0.000 2.440 407 I HA 0.446 4.616 4.170 -0.001 0.000 0.294 407 I C -0.102 176.102 176.117 0.145 0.000 0.995 407 I CA 0.053 61.444 61.300 0.152 0.000 1.306 407 I CB 0.800 38.883 38.000 0.139 0.000 1.407 407 I HN 0.438 nan 8.210 nan 0.000 0.501 408 E N 5.990 126.290 120.200 0.167 0.000 1.936 408 E HA 0.233 4.582 4.350 -0.001 0.000 0.267 408 E C -0.429 176.258 176.600 0.145 0.000 1.076 408 E CA -0.464 56.025 56.400 0.149 0.000 0.870 408 E CB 0.622 30.423 29.700 0.168 0.000 1.093 408 E HN 0.516 nan 8.360 nan 0.000 0.411 409 R N 1.728 122.298 120.500 0.116 0.000 2.679 409 R HA 0.075 4.414 4.340 -0.001 0.000 0.269 409 R C 0.090 176.422 176.300 0.052 0.000 1.076 409 R CA -0.414 55.742 56.100 0.093 0.000 1.160 409 R CB 0.502 30.839 30.300 0.062 0.000 1.054 409 R HN 0.468 nan 8.270 nan 0.000 0.507 410 H N 0.638 119.638 119.070 -0.117 0.000 2.871 410 H HA 0.002 4.557 4.556 -0.001 0.000 0.377 410 H C -0.210 175.076 175.328 -0.070 0.000 1.307 410 H CA 0.250 56.251 56.048 -0.078 0.000 1.449 410 H CB 0.370 30.050 29.762 -0.137 0.000 1.452 410 H HN 0.217 nan 8.280 nan 0.000 0.619 411 L N 1.681 122.999 121.223 0.158 0.000 2.397 411 L HA 0.216 4.555 4.340 -0.001 0.000 0.271 411 L C -0.450 176.555 176.870 0.225 0.000 1.148 411 L CA 0.191 55.126 54.840 0.158 0.000 0.825 411 L CB -0.007 42.157 42.059 0.176 0.000 1.117 411 L HN 0.508 nan 8.230 nan 0.000 0.456 412 I N -1.230 119.432 120.570 0.153 0.000 2.894 412 I HA 0.501 4.670 4.170 -0.001 0.000 0.302 412 I C -0.702 175.533 176.117 0.198 0.000 1.188 412 I CA -1.046 60.365 61.300 0.185 0.000 1.014 412 I CB 1.296 39.299 38.000 0.004 0.000 1.242 412 I HN 0.286 nan 8.210 nan 0.000 0.430 413 D N 3.321 123.879 120.400 0.262 0.000 2.533 413 D HA 0.397 5.036 4.640 -0.001 0.000 0.236 413 D C 1.200 177.577 176.300 0.129 0.000 1.137 413 D CA 2.058 56.176 54.000 0.196 0.000 0.867 413 D CB 0.392 41.329 40.800 0.228 0.000 1.170 413 D HN 1.203 nan 8.370 nan 0.000 0.474 414 G N 2.149 111.008 108.800 0.098 0.000 2.182 414 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.248 414 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.248 414 G C -0.284 174.655 174.900 0.065 0.000 1.042 414 G CA -0.220 44.923 45.100 0.073 0.000 0.775 414 G HN 0.598 nan 8.290 nan 0.000 0.501 415 D N 0.195 120.637 120.400 0.071 0.000 2.329 415 D HA 0.455 5.094 4.640 -0.001 0.000 0.232 415 D C 0.707 177.036 176.300 0.048 0.000 1.088 415 D CA -0.595 53.440 54.000 0.059 0.000 0.835 415 D CB 0.727 41.569 40.800 0.070 0.000 1.078 415 D HN 0.028 nan 8.370 nan 0.000 0.495 416 I N 3.132 123.722 120.570 0.034 0.000 2.741 416 I HA -0.050 4.119 4.170 -0.001 0.000 0.288 416 I C 0.214 176.355 176.117 0.039 0.000 1.192 416 I CA 0.437 61.754 61.300 0.029 0.000 1.426 416 I CB 0.574 38.580 38.000 0.011 0.000 1.367 416 I HN 0.074 nan 8.210 nan 0.000 0.563 417 V N 7.824 127.776 119.914 0.063 0.000 2.668 417 V HA 0.309 4.428 4.120 -0.001 0.000 0.304 417 V C -0.560 175.614 176.094 0.133 0.000 1.071 417 V CA -0.895 61.455 62.300 0.084 0.000 0.894 417 V CB 2.060 33.929 31.823 0.077 0.000 1.008 417 V HN 0.310 nan 8.190 nan 0.000 0.425 418 L N 5.486 126.785 121.223 0.127 0.000 2.360 418 L HA 0.433 4.772 4.340 -0.001 0.000 0.276 418 L C -0.517 176.475 176.870 0.204 0.000 1.121 418 L CA 0.719 55.649 54.840 0.151 0.000 0.845 418 L CB 0.245 42.339 42.059 0.059 0.000 1.143 418 L HN 0.543 nan 8.230 nan 0.000 0.452 419 F N 4.305 124.267 119.950 0.020 0.000 2.551 419 F HA 0.560 5.086 4.527 -0.001 0.000 0.316 419 F C -0.235 175.501 175.800 -0.107 0.000 1.089 419 F CA -0.631 57.266 58.000 -0.171 0.000 0.915 419 F CB 1.488 40.225 39.000 -0.439 0.000 1.186 419 F HN 0.590 nan 8.300 nan 0.000 0.456 420 N N 4.769 123.088 118.700 -0.635 0.000 2.493 420 N HA 0.234 4.973 4.740 -0.001 0.000 0.279 420 N C -2.076 173.110 175.510 -0.541 0.000 1.082 420 N CA -0.658 52.168 53.050 -0.374 0.000 0.963 420 N CB 1.859 40.285 38.487 -0.103 0.000 1.627 420 N HN 0.806 nan 8.380 nan 0.000 0.499 421 R N 3.152 123.394 120.500 -0.429 0.000 2.265 421 R HA 0.230 4.569 4.340 -0.001 0.000 0.328 421 R C -0.356 175.892 176.300 -0.088 0.000 0.969 421 R CA -0.315 55.621 56.100 -0.274 0.000 0.832 421 R CB 0.997 31.152 30.300 -0.241 0.000 1.139 421 R HN 0.645 nan 8.270 nan 0.000 0.457 422 Q N 4.376 124.128 119.800 -0.081 0.000 2.212 422 Q HA 0.475 4.814 4.340 -0.001 0.000 0.238 422 Q C -2.129 173.857 176.000 -0.024 0.000 0.955 422 Q CA -2.196 53.590 55.803 -0.030 0.000 0.906 422 Q CB 0.656 29.379 28.738 -0.025 0.000 1.215 422 Q HN 0.390 nan 8.270 nan 0.000 0.478 423 P HA -0.069 nan 4.420 nan 0.000 0.260 423 P C -0.628 176.686 177.300 0.023 0.000 1.207 423 P CA 0.292 63.396 63.100 0.005 0.000 0.780 423 P CB 0.562 32.264 31.700 0.004 0.000 0.789 424 S N 4.125 119.841 115.700 0.026 0.000 3.072 424 S HA 0.218 4.688 4.470 -0.001 0.000 0.306 424 S C 0.481 175.112 174.600 0.050 0.000 1.207 424 S CA -0.713 57.515 58.200 0.047 0.000 1.008 424 S CB -1.177 62.041 63.200 0.029 0.000 1.390 424 S HN 0.281 nan 8.310 nan 0.000 0.523 425 L N 3.600 124.869 121.223 0.076 0.000 3.096 425 L HA 0.598 4.938 4.340 -0.001 0.000 0.272 425 L C -0.165 176.782 176.870 0.129 0.000 1.311 425 L CA -0.423 54.455 54.840 0.064 0.000 0.943 425 L CB -0.955 41.121 42.059 0.029 0.000 1.348 425 L HN 0.756 nan 8.230 nan 0.000 0.562 426 H N 0.076 119.124 119.070 -0.037 0.000 4.296 426 H HA 0.040 4.595 4.556 -0.001 0.000 0.580 426 H C 0.646 175.942 175.328 -0.054 0.000 1.882 426 H CA 0.017 56.028 56.048 -0.061 0.000 1.616 426 H CB 1.101 30.822 29.762 -0.067 0.000 3.307 426 H HN 0.390 nan 8.280 nan 0.000 0.439 427 R N 3.438 123.823 120.500 -0.193 0.000 2.153 427 R HA -0.167 4.172 4.340 -0.001 0.000 0.252 427 R C 0.811 176.927 176.300 -0.306 0.000 1.158 427 R CA 2.412 58.387 56.100 -0.209 0.000 0.975 427 R CB -0.148 30.059 30.300 -0.155 0.000 0.871 427 R HN 0.513 nan 8.270 nan 0.000 0.450 428 I N 1.034 121.223 120.570 -0.635 0.000 3.444 428 I HA -0.034 4.135 4.170 -0.001 0.000 0.287 428 I C 1.183 177.096 176.117 -0.340 0.000 1.302 428 I CA 0.633 61.603 61.300 -0.549 0.000 1.368 428 I CB 0.282 37.877 38.000 -0.677 0.000 1.048 428 I HN 0.158 nan 8.210 nan 0.000 0.487 429 S N 0.150 115.754 115.700 -0.160 0.000 2.561 429 S HA 0.226 4.696 4.470 -0.001 0.000 0.225 429 S C 0.785 175.505 174.600 0.200 0.000 0.977 429 S CA 0.506 58.785 58.200 0.131 0.000 0.926 429 S CB -0.093 63.189 63.200 0.137 0.000 0.769 429 S HN 0.254 nan 8.310 nan 0.000 0.533 430 M N 0.982 120.635 119.600 0.089 0.000 2.395 430 M HA 0.541 5.020 4.480 -0.001 0.000 0.307 430 M C -1.280 175.086 176.300 0.111 0.000 1.091 430 M CA -0.017 55.357 55.300 0.125 0.000 0.919 430 M CB 2.122 34.730 32.600 0.013 0.000 1.662 430 M HN 0.089 nan 8.290 nan 0.000 0.440 431 M N 1.570 121.312 119.600 0.236 0.000 2.465 431 M HA 0.538 5.017 4.480 -0.001 0.000 0.284 431 M C -0.864 175.577 176.300 0.235 0.000 1.212 431 M CA -0.559 54.840 55.300 0.165 0.000 0.910 431 M CB 2.524 35.196 32.600 0.121 0.000 1.725 431 M HN 0.704 nan 8.290 nan 0.000 0.477 432 A N 2.239 125.098 122.820 0.064 0.000 2.396 432 A HA 0.391 4.710 4.320 -0.001 0.000 0.279 432 A C -0.908 176.673 177.584 -0.006 0.000 1.165 432 A CA 0.044 52.113 52.037 0.053 0.000 0.824 432 A CB -0.254 18.732 19.000 -0.023 0.000 1.100 432 A HN 0.781 nan 8.150 nan 0.000 0.516 433 H N 2.340 121.402 119.070 -0.013 0.000 2.457 433 H HA 0.257 4.813 4.556 -0.001 0.000 0.335 433 H C -0.087 175.206 175.328 -0.058 0.000 1.115 433 H CA -0.668 55.338 56.048 -0.070 0.000 1.219 433 H CB 1.334 30.987 29.762 -0.181 0.000 1.471 433 H HN 0.664 nan 8.280 nan 0.000 0.491 434 R N 1.614 122.135 120.500 0.036 0.000 2.442 434 R HA 0.112 4.452 4.340 -0.001 0.000 0.291 434 R C -0.279 176.046 176.300 0.041 0.000 1.069 434 R CA -0.315 55.805 56.100 0.034 0.000 1.022 434 R CB 1.261 31.574 30.300 0.021 0.000 0.976 434 R HN 0.243 nan 8.270 nan 0.000 0.443 435 V N 3.789 123.731 119.914 0.048 0.000 2.546 435 V HA 0.283 4.402 4.120 -0.001 0.000 0.284 435 V C -0.268 175.859 176.094 0.056 0.000 1.050 435 V CA -0.422 61.904 62.300 0.044 0.000 0.981 435 V CB 1.276 33.138 31.823 0.067 0.000 0.990 435 V HN 0.687 nan 8.190 nan 0.000 0.474 436 R N 5.279 125.799 120.500 0.033 0.000 2.402 436 R HA 0.482 4.821 4.340 -0.001 0.000 0.290 436 R C -1.234 175.059 176.300 -0.013 0.000 1.321 436 R CA -0.423 55.694 56.100 0.028 0.000 1.283 436 R CB 0.880 31.189 30.300 0.014 0.000 1.111 436 R HN 0.634 nan 8.270 nan 0.000 0.578 437 V N 6.021 125.920 119.914 -0.025 0.000 2.584 437 V HA 0.045 4.164 4.120 -0.001 0.000 0.303 437 V C 0.506 176.438 176.094 -0.269 0.000 1.035 437 V CA 0.609 62.800 62.300 -0.181 0.000 1.172 437 V CB -0.230 31.376 31.823 -0.361 0.000 0.896 437 V HN 0.702 nan 8.190 nan 0.000 0.486 438 L N 2.394 123.478 121.223 -0.232 0.000 2.540 438 L HA 0.686 5.025 4.340 -0.001 0.000 0.256 438 L C -0.595 176.165 176.870 -0.184 0.000 1.001 438 L CA -1.378 53.340 54.840 -0.204 0.000 0.843 438 L CB 2.310 44.302 42.059 -0.112 0.000 1.436 438 L HN 0.442 nan 8.230 nan 0.000 0.410 439 K N 1.489 121.793 120.400 -0.160 0.000 2.436 439 K HA 0.584 4.903 4.320 -0.001 0.000 0.275 439 K C 0.279 176.818 176.600 -0.101 0.000 0.999 439 K CA 0.659 56.870 56.287 -0.127 0.000 0.980 439 K CB 0.264 32.706 32.500 -0.095 0.000 0.919 439 K HN 1.069 nan 8.250 nan 0.000 0.484 440 G N 0.817 109.560 108.800 -0.096 0.000 2.539 440 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.686 440 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.686 440 G C -0.139 174.696 174.900 -0.107 0.000 1.258 440 G CA -0.965 44.082 45.100 -0.088 0.000 0.846 440 G HN 0.458 nan 8.290 nan 0.000 0.647 441 L N 0.602 121.760 121.223 -0.108 0.000 2.509 441 L HA 0.248 4.587 4.340 -0.001 0.000 0.222 441 L C 2.198 178.944 176.870 -0.206 0.000 1.123 441 L CA 1.368 56.123 54.840 -0.142 0.000 0.856 441 L CB -0.082 41.908 42.059 -0.115 0.000 0.985 441 L HN 0.947 nan 8.230 nan 0.000 0.456 442 T N -2.435 112.020 114.554 -0.165 0.000 2.902 442 T HA 0.338 4.687 4.350 -0.001 0.000 0.280 442 T C -0.168 174.443 174.700 -0.149 0.000 0.992 442 T CA -0.519 61.478 62.100 -0.171 0.000 1.015 442 T CB 0.738 69.577 68.868 -0.049 0.000 1.044 442 T HN -0.094 nan 8.240 nan 0.000 0.520 443 F N 1.926 121.909 119.950 0.054 0.000 2.427 443 F HA 0.455 4.982 4.527 -0.001 0.000 0.352 443 F C 1.329 177.198 175.800 0.115 0.000 1.100 443 F CA -1.244 56.828 58.000 0.120 0.000 1.191 443 F CB 0.958 40.105 39.000 0.245 0.000 1.128 443 F HN 0.279 nan 8.300 nan 0.000 0.533 444 R N 3.541 124.182 120.500 0.236 0.000 2.474 444 R HA 0.648 4.987 4.340 -0.001 0.000 0.295 444 R C -1.198 175.140 176.300 0.063 0.000 0.980 444 R CA -1.094 55.075 56.100 0.115 0.000 0.934 444 R CB 1.752 32.067 30.300 0.025 0.000 1.101 444 R HN 0.577 nan 8.270 nan 0.000 0.469 445 L N 0.788 122.099 121.223 0.146 0.000 2.370 445 L HA 0.422 4.761 4.340 -0.001 0.000 0.266 445 L C -0.472 176.508 176.870 0.184 0.000 1.002 445 L CA -0.510 54.441 54.840 0.185 0.000 0.818 445 L CB 2.125 44.413 42.059 0.383 0.000 1.325 445 L HN 0.675 nan 8.230 nan 0.000 0.418 446 N N 3.240 122.036 118.700 0.160 0.000 2.401 446 N HA 0.166 4.905 4.740 -0.001 0.000 0.255 446 N C 1.033 176.642 175.510 0.165 0.000 1.110 446 N CA -0.298 52.827 53.050 0.125 0.000 0.949 446 N CB 0.576 39.101 38.487 0.062 0.000 1.110 446 N HN 0.794 nan 8.380 nan 0.000 0.490 447 L N 3.398 124.746 121.223 0.207 0.000 2.230 447 L HA -0.309 4.030 4.340 -0.001 0.000 0.217 447 L C 1.824 178.770 176.870 0.127 0.000 1.090 447 L CA 1.276 56.272 54.840 0.261 0.000 0.771 447 L CB -0.337 41.931 42.059 0.348 0.000 0.892 447 L HN 0.743 nan 8.230 nan 0.000 0.438 448 L N -1.467 119.743 121.223 -0.022 0.000 2.217 448 L HA -0.122 4.217 4.340 -0.001 0.000 0.211 448 L C 1.819 178.626 176.870 -0.105 0.000 1.107 448 L CA 0.467 55.187 54.840 -0.199 0.000 0.783 448 L CB -0.161 41.676 42.059 -0.370 0.000 0.919 448 L HN 0.076 nan 8.230 nan 0.000 0.442 449 V N -2.616 117.301 119.914 0.004 0.000 3.542 449 V HA -0.042 4.078 4.120 -0.001 0.000 0.296 449 V C 2.057 178.228 176.094 0.128 0.000 1.364 449 V CA 0.098 62.420 62.300 0.037 0.000 1.118 449 V CB -0.155 31.738 31.823 0.117 0.000 0.972 449 V HN 0.460 nan 8.190 nan 0.000 0.430 450 C N 1.188 120.565 119.300 0.128 0.000 2.413 450 C HA -0.088 4.371 4.460 -0.001 0.000 0.277 450 C C 0.655 175.694 174.990 0.081 0.000 1.228 450 C CA 1.628 60.722 59.018 0.127 0.000 1.731 450 C CB -1.537 26.231 27.740 0.048 0.000 2.042 450 C HN 0.470 nan 8.230 nan 0.000 0.468 451 P HA -0.073 nan 4.420 nan 0.000 0.216 451 P C -1.360 175.931 177.300 -0.015 0.000 1.150 451 P CA 2.126 65.218 63.100 -0.014 0.000 0.837 451 P CB -1.181 30.493 31.700 -0.043 0.000 0.786 452 P HA -0.187 nan 4.420 nan 0.000 0.214 452 P C 1.362 178.674 177.300 0.020 0.000 1.162 452 P CA 1.667 64.730 63.100 -0.061 0.000 0.879 452 P CB -0.603 30.942 31.700 -0.259 0.000 0.786 453 Y N -0.824 119.520 120.300 0.074 0.000 2.145 453 Y HA -0.136 4.413 4.550 -0.001 0.000 0.286 453 Y C 0.986 176.893 175.900 0.012 0.000 1.145 453 Y CA 1.106 59.239 58.100 0.055 0.000 1.148 453 Y CB -0.600 37.885 38.460 0.041 0.000 0.981 453 Y HN 0.007 nan 8.280 nan 0.000 0.507 454 N N -0.623 118.168 118.700 0.151 0.000 3.053 454 N HA -0.128 4.611 4.740 -0.001 0.000 0.252 454 N C -1.565 173.939 175.510 -0.010 0.000 1.092 454 N CA 0.552 53.624 53.050 0.037 0.000 0.668 454 N CB -1.228 37.266 38.487 0.011 0.000 1.009 454 N HN 0.352 nan 8.380 nan 0.000 0.572 455 A N 1.405 124.194 122.820 -0.051 0.000 2.363 455 A HA 0.556 4.875 4.320 -0.001 0.000 0.296 455 A C -0.032 177.277 177.584 -0.458 0.000 1.237 455 A CA -0.384 51.536 52.037 -0.194 0.000 0.773 455 A CB 0.640 19.544 19.000 -0.161 0.000 1.153 455 A HN 0.455 nan 8.150 nan 0.000 0.473 456 D N 0.488 120.632 120.400 -0.425 0.000 2.506 456 D HA 0.433 5.072 4.640 -0.001 0.000 0.272 456 D C -0.318 175.565 176.300 -0.696 0.000 1.214 456 D CA -0.711 52.956 54.000 -0.553 0.000 1.067 456 D CB 0.319 40.993 40.800 -0.211 0.000 1.117 456 D HN 0.308 nan 8.370 nan 0.000 0.578 457 F N -0.838 119.122 119.950 0.018 0.000 2.805 457 F HA 0.121 4.647 4.527 -0.002 0.000 0.317 457 F C 0.977 176.779 175.800 0.004 0.000 1.146 457 F CA -0.719 57.289 58.000 0.014 0.000 1.265 457 F CB 0.327 39.338 39.000 0.018 0.000 0.992 457 F HN 0.164 nan 8.300 nan 0.000 0.511 458 D N -0.039 120.417 120.400 0.093 0.000 2.390 458 D HA 0.030 4.669 4.640 -0.001 0.000 0.235 458 D C 1.519 177.847 176.300 0.046 0.000 1.040 458 D CA 0.870 54.903 54.000 0.056 0.000 0.923 458 D CB -0.116 40.692 40.800 0.013 0.000 0.886 458 D HN 0.391 nan 8.370 nan 0.000 0.532 459 G N 0.519 109.361 108.800 0.070 0.000 2.215 459 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.198 459 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.198 459 G C -0.637 174.276 174.900 0.022 0.000 1.047 459 G CA -0.374 44.754 45.100 0.048 0.000 0.747 459 G HN 0.298 nan 8.290 nan 0.000 0.495 460 D N 0.423 120.830 120.400 0.013 0.000 2.358 460 D HA 0.497 5.136 4.640 -0.001 0.000 0.244 460 D C 0.674 176.972 176.300 -0.003 0.000 1.163 460 D CA 0.298 54.286 54.000 -0.020 0.000 0.945 460 D CB 0.812 41.571 40.800 -0.068 0.000 1.152 460 D HN 0.471 nan 8.370 nan 0.000 0.451 461 E N 0.335 120.520 120.200 -0.026 0.000 2.210 461 E HA 0.400 4.750 4.350 -0.001 0.000 0.266 461 E C -0.462 176.091 176.600 -0.078 0.000 0.883 461 E CA -0.542 55.847 56.400 -0.020 0.000 0.761 461 E CB 1.917 31.607 29.700 -0.017 0.000 1.156 461 E HN 0.247 nan 8.360 nan 0.000 0.412 462 M N 2.001 121.544 119.600 -0.094 0.000 2.578 462 M HA 0.404 4.884 4.480 -0.001 0.000 0.321 462 M C -0.464 175.637 176.300 -0.331 0.000 1.182 462 M CA -1.067 54.035 55.300 -0.331 0.000 0.965 462 M CB 1.416 33.623 32.600 -0.655 0.000 1.694 462 M HN 0.326 nan 8.290 nan 0.000 0.461 463 N N 1.715 120.146 118.700 -0.447 0.000 2.508 463 N HA 0.563 5.302 4.740 -0.001 0.000 0.285 463 N C -1.415 173.761 175.510 -0.555 0.000 1.144 463 N CA -0.516 52.328 53.050 -0.343 0.000 0.978 463 N CB 1.335 39.710 38.487 -0.186 0.000 1.180 463 N HN 0.392 nan 8.380 nan 0.000 0.484 464 L N 1.440 122.413 121.223 -0.416 0.000 2.354 464 L HA 0.500 4.839 4.340 -0.001 0.000 0.269 464 L C -1.143 175.590 176.870 -0.229 0.000 1.005 464 L CA -0.621 54.027 54.840 -0.321 0.000 0.819 464 L CB 1.058 42.891 42.059 -0.376 0.000 1.311 464 L HN 0.637 nan 8.230 nan 0.000 0.423 465 H N 1.949 120.997 119.070 -0.036 0.000 2.759 465 H HA 0.567 5.122 4.556 -0.001 0.000 0.354 465 H C -0.865 174.479 175.328 0.028 0.000 1.074 465 H CA -0.474 55.586 56.048 0.020 0.000 1.226 465 H CB 2.157 31.922 29.762 0.006 0.000 1.648 465 H HN 0.255 nan 8.280 nan 0.000 0.529 466 V N 5.272 125.275 119.914 0.149 0.000 2.333 466 V HA 0.291 4.410 4.120 -0.001 0.000 0.274 466 V C -2.080 173.980 176.094 -0.058 0.000 1.028 466 V CA -1.673 60.652 62.300 0.042 0.000 0.851 466 V CB 0.879 32.720 31.823 0.030 0.000 1.000 466 V HN 0.649 nan 8.190 nan 0.000 0.456 467 P HA 0.238 nan 4.420 nan 0.000 0.276 467 P C -0.071 177.129 177.300 -0.166 0.000 1.230 467 P CA -0.216 62.835 63.100 -0.083 0.000 0.776 467 P CB 1.603 33.278 31.700 -0.041 0.000 0.888 468 Q N 0.801 120.487 119.800 -0.190 0.000 2.178 468 Q HA 0.060 4.399 4.340 -0.001 0.000 0.195 468 Q C 0.590 176.516 176.000 -0.122 0.000 0.960 468 Q CA 0.895 56.558 55.803 -0.233 0.000 0.843 468 Q CB -0.542 28.039 28.738 -0.261 0.000 0.927 468 Q HN 0.508 nan 8.270 nan 0.000 0.487 469 S N 2.094 117.749 115.700 -0.076 0.000 2.568 469 S HA -0.009 4.461 4.470 -0.001 0.000 0.282 469 S C 1.017 175.598 174.600 -0.032 0.000 1.338 469 S CA -0.260 57.915 58.200 -0.042 0.000 1.045 469 S CB 0.774 63.957 63.200 -0.028 0.000 0.873 469 S HN 0.143 nan 8.310 nan 0.000 0.516 470 E N 1.923 122.114 120.200 -0.015 0.000 2.033 470 E HA -0.197 4.152 4.350 -0.001 0.000 0.199 470 E C 1.910 178.506 176.600 -0.006 0.000 1.011 470 E CA 1.882 58.280 56.400 -0.003 0.000 0.815 470 E CB -0.238 29.468 29.700 0.011 0.000 0.755 470 E HN 0.779 nan 8.360 nan 0.000 0.451 471 E N -0.061 120.135 120.200 -0.006 0.000 2.049 471 E HA -0.260 4.089 4.350 -0.001 0.000 0.198 471 E C 1.987 178.578 176.600 -0.015 0.000 1.007 471 E CA 1.449 57.844 56.400 -0.009 0.000 0.809 471 E CB -0.311 29.384 29.700 -0.009 0.000 0.749 471 E HN 0.321 nan 8.360 nan 0.000 0.450 472 A N 1.477 124.284 122.820 -0.021 0.000 1.873 472 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 472 A C 2.325 179.893 177.584 -0.027 0.000 1.193 472 A CA 2.000 54.021 52.037 -0.028 0.000 0.629 472 A CB -1.139 17.840 19.000 -0.035 0.000 0.826 472 A HN 0.449 nan 8.150 nan 0.000 0.447 473 I N -2.133 118.422 120.570 -0.026 0.000 2.127 473 I HA -0.176 3.993 4.170 -0.001 0.000 0.241 473 I C 2.572 178.680 176.117 -0.015 0.000 1.075 473 I CA 1.789 63.077 61.300 -0.020 0.000 1.334 473 I CB -1.144 36.845 38.000 -0.018 0.000 1.040 473 I HN 0.240 nan 8.210 nan 0.000 0.405 474 A N 1.152 123.965 122.820 -0.012 0.000 1.873 474 A HA -0.313 4.006 4.320 -0.001 0.000 0.218 474 A C 2.353 179.926 177.584 -0.018 0.000 1.193 474 A CA 2.410 54.440 52.037 -0.011 0.000 0.629 474 A CB -1.106 17.890 19.000 -0.006 0.000 0.826 474 A HN 0.662 nan 8.150 nan 0.000 0.447 475 E N -0.521 119.667 120.200 -0.020 0.000 2.097 475 E HA -0.193 4.156 4.350 -0.001 0.000 0.196 475 E C 2.132 178.713 176.600 -0.032 0.000 1.000 475 E CA 1.356 57.741 56.400 -0.026 0.000 0.804 475 E CB -0.273 29.411 29.700 -0.027 0.000 0.740 475 E HN 0.601 nan 8.360 nan 0.000 0.454 476 A N 1.052 123.854 122.820 -0.030 0.000 1.855 476 A HA -0.215 4.105 4.320 -0.001 0.000 0.215 476 A C 2.077 179.636 177.584 -0.041 0.000 1.191 476 A CA 1.649 53.667 52.037 -0.032 0.000 0.613 476 A CB -0.523 18.465 19.000 -0.020 0.000 0.829 476 A HN 0.145 nan 8.150 nan 0.000 0.442 477 K N -0.699 119.680 120.400 -0.034 0.000 2.034 477 K HA -0.288 4.031 4.320 -0.001 0.000 0.214 477 K C 2.113 178.678 176.600 -0.058 0.000 1.051 477 K CA 2.199 58.460 56.287 -0.044 0.000 0.931 477 K CB -0.130 32.355 32.500 -0.025 0.000 0.715 477 K HN 0.474 nan 8.250 nan 0.000 0.446 478 E N 0.319 120.494 120.200 -0.042 0.000 2.051 478 E HA -0.076 4.273 4.350 -0.001 0.000 0.189 478 E C 1.869 178.442 176.600 -0.046 0.000 0.979 478 E CA 1.138 57.517 56.400 -0.036 0.000 0.803 478 E CB -0.003 29.685 29.700 -0.020 0.000 0.761 478 E HN 0.307 nan 8.360 nan 0.000 0.451 479 I N -0.517 120.024 120.570 -0.049 0.000 2.400 479 I HA -0.038 4.131 4.170 -0.001 0.000 0.248 479 I C 1.908 177.978 176.117 -0.079 0.000 1.109 479 I CA 0.988 62.254 61.300 -0.056 0.000 1.425 479 I CB 0.095 38.063 38.000 -0.053 0.000 1.094 479 I HN 0.108 nan 8.210 nan 0.000 0.425 480 M N -0.230 119.320 119.600 -0.084 0.000 2.346 480 M HA 0.213 4.693 4.480 -0.001 0.000 0.280 480 M C 0.240 176.464 176.300 -0.127 0.000 1.075 480 M CA -0.167 55.076 55.300 -0.094 0.000 0.989 480 M CB 0.699 33.262 32.600 -0.062 0.000 1.447 480 M HN 0.059 nan 8.290 nan 0.000 0.511 481 L N 0.513 121.639 121.223 -0.163 0.000 2.499 481 L HA -0.036 4.303 4.340 -0.001 0.000 0.281 481 L C 1.372 178.049 176.870 -0.322 0.000 1.234 481 L CA -0.185 54.508 54.840 -0.246 0.000 0.839 481 L CB 0.960 42.839 42.059 -0.300 0.000 1.104 481 L HN 0.010 nan 8.230 nan 0.000 0.500 482 V N 2.252 121.932 119.914 -0.389 0.000 2.231 482 V HA -0.345 3.774 4.120 -0.001 0.000 0.239 482 V C 2.241 178.161 176.094 -0.290 0.000 1.035 482 V CA 2.242 64.321 62.300 -0.368 0.000 0.989 482 V CB -1.139 30.419 31.823 -0.441 0.000 0.636 482 V HN 1.117 nan 8.190 nan 0.000 0.457 483 H N 0.720 119.700 119.070 -0.149 0.000 2.501 483 H HA -0.226 4.329 4.556 -0.001 0.000 0.296 483 H C 1.906 177.181 175.328 -0.088 0.000 1.115 483 H CA 2.174 58.156 56.048 -0.110 0.000 1.242 483 H CB -0.652 29.063 29.762 -0.078 0.000 1.363 483 H HN 0.414 nan 8.280 nan 0.000 0.537 484 K N -0.148 120.138 120.400 -0.191 0.000 2.217 484 K HA -0.042 4.277 4.320 -0.001 0.000 0.202 484 K C 0.599 177.156 176.600 -0.072 0.000 1.051 484 K CA 0.979 57.241 56.287 -0.043 0.000 0.952 484 K CB 0.151 32.569 32.500 -0.137 0.000 0.736 484 K HN 0.289 nan 8.250 nan 0.000 0.453 485 N N 0.726 119.347 118.700 -0.133 0.000 2.320 485 N HA 0.064 4.803 4.740 -0.001 0.000 0.237 485 N C 0.640 176.055 175.510 -0.158 0.000 1.129 485 N CA -0.070 52.891 53.050 -0.149 0.000 0.854 485 N CB 0.367 38.750 38.487 -0.173 0.000 1.083 485 N HN 0.092 nan 8.380 nan 0.000 0.504 486 I N 0.602 121.098 120.570 -0.124 0.000 2.567 486 I HA -0.090 4.079 4.170 -0.001 0.000 0.257 486 I C -0.291 175.721 176.117 -0.175 0.000 1.184 486 I CA 1.081 62.300 61.300 -0.134 0.000 1.451 486 I CB -0.024 37.926 38.000 -0.084 0.000 1.089 486 I HN 0.030 nan 8.210 nan 0.000 0.441 487 I N -0.028 120.429 120.570 -0.187 0.000 2.306 487 I HA 0.198 4.367 4.170 -0.001 0.000 0.288 487 I C 0.546 176.527 176.117 -0.226 0.000 1.036 487 I CA -0.330 60.826 61.300 -0.240 0.000 1.221 487 I CB 0.538 38.378 38.000 -0.267 0.000 1.385 487 I HN -0.255 nan 8.210 nan 0.000 0.472 488 T N 8.910 123.338 114.554 -0.210 0.000 2.822 488 T HA 0.052 4.401 4.350 -0.001 0.000 0.288 488 T C -1.242 173.316 174.700 -0.237 0.000 0.991 488 T CA -0.187 61.795 62.100 -0.197 0.000 1.176 488 T CB 0.431 69.201 68.868 -0.164 0.000 0.951 488 T HN 0.543 nan 8.240 nan 0.000 0.526 489 P HA 0.049 nan 4.420 nan 0.000 0.249 489 P C 0.933 178.014 177.300 -0.366 0.000 1.241 489 P CA 0.290 63.182 63.100 -0.346 0.000 0.781 489 P CB 0.302 31.871 31.700 -0.219 0.000 1.088 490 R N -0.281 120.034 120.500 -0.309 0.000 2.039 490 R HA 0.020 4.359 4.340 -0.001 0.000 0.218 490 R C 2.115 178.311 176.300 -0.174 0.000 1.220 490 R CA 0.719 56.629 56.100 -0.317 0.000 0.993 490 R CB -0.680 29.283 30.300 -0.562 0.000 0.881 490 R HN 0.058 nan 8.270 nan 0.000 0.450 491 Y N -0.355 119.866 120.300 -0.132 0.000 2.314 491 Y HA 0.214 4.763 4.550 -0.001 0.000 0.294 491 Y C 1.020 176.784 175.900 -0.227 0.000 1.119 491 Y CA 0.039 58.056 58.100 -0.137 0.000 1.179 491 Y CB 0.425 38.813 38.460 -0.120 0.000 1.025 491 Y HN 0.539 nan 8.280 nan 0.000 0.541 492 G N 0.596 109.318 108.800 -0.130 0.000 2.638 492 G HA2 0.149 4.108 3.960 -0.001 0.000 0.269 492 G HA3 0.149 4.108 3.960 -0.001 0.000 0.269 492 G C -0.114 174.607 174.900 -0.298 0.000 1.141 492 G CA -0.167 44.800 45.100 -0.222 0.000 1.081 492 G HN 0.798 nan 8.290 nan 0.000 0.527 493 G N -0.079 108.530 108.800 -0.318 0.000 2.387 493 G HA2 0.769 4.728 3.960 -0.001 0.000 0.294 493 G HA3 0.769 4.728 3.960 -0.001 0.000 0.294 493 G C -3.243 171.417 174.900 -0.399 0.000 1.509 493 G CA -0.171 44.646 45.100 -0.472 0.000 0.806 493 G HN 0.458 nan 8.290 nan 0.000 0.546 494 P HA 0.162 nan 4.420 nan 0.000 0.264 494 P C 0.762 177.941 177.300 -0.202 0.000 1.229 494 P CA -0.082 62.822 63.100 -0.326 0.000 0.780 494 P CB 1.277 32.790 31.700 -0.311 0.000 0.808 495 I N 4.041 124.509 120.570 -0.170 0.000 2.852 495 I HA 0.071 4.240 4.170 -0.001 0.000 0.264 495 I C 0.776 176.818 176.117 -0.125 0.000 1.179 495 I CA 0.427 61.658 61.300 -0.114 0.000 1.480 495 I CB 0.279 38.224 38.000 -0.091 0.000 1.111 495 I HN 0.154 nan 8.210 nan 0.000 0.441 496 I N 2.183 122.660 120.570 -0.155 0.000 2.282 496 I HA 0.344 4.513 4.170 -0.001 0.000 0.290 496 I C 0.547 176.545 176.117 -0.197 0.000 1.090 496 I CA -0.356 60.846 61.300 -0.164 0.000 1.231 496 I CB 0.205 38.108 38.000 -0.163 0.000 1.434 496 I HN 0.139 nan 8.210 nan 0.000 0.487 497 G N 3.850 112.527 108.800 -0.206 0.000 3.013 497 G HA2 0.770 4.729 3.960 -0.001 0.000 0.278 497 G HA3 0.770 4.729 3.960 -0.001 0.000 0.278 497 G C -0.713 173.962 174.900 -0.374 0.000 1.353 497 G CA -0.678 44.268 45.100 -0.256 0.000 1.043 497 G HN 0.629 nan 8.290 nan 0.000 0.523 498 A N -1.063 121.486 122.820 -0.451 0.000 2.346 498 A HA 0.681 5.000 4.320 -0.001 0.000 0.252 498 A C 1.155 178.648 177.584 -0.152 0.000 1.089 498 A CA 0.782 52.500 52.037 -0.531 0.000 0.797 498 A CB 0.521 19.253 19.000 -0.446 0.000 1.047 498 A HN 1.635 nan 8.150 nan 0.000 0.494 499 A N -0.240 122.643 122.820 0.105 0.000 2.666 499 A HA 0.334 4.653 4.320 -0.001 0.000 0.221 499 A C 1.519 179.158 177.584 0.091 0.000 2.097 499 A CA 1.062 53.179 52.037 0.133 0.000 0.835 499 A CB -0.371 18.756 19.000 0.210 0.000 1.409 499 A HN 0.917 nan 8.150 nan 0.000 0.531 500 Q N -2.596 117.252 119.800 0.081 0.000 2.129 500 Q HA 0.116 4.455 4.340 -0.001 0.000 0.164 500 Q C 1.042 177.012 176.000 -0.051 0.000 0.573 500 Q CA 0.236 56.049 55.803 0.016 0.000 0.812 500 Q CB -0.257 28.495 28.738 0.024 0.000 1.106 500 Q HN 0.240 nan 8.270 nan 0.000 0.405 501 D N 0.946 121.260 120.400 -0.142 0.000 2.170 501 D HA -0.185 4.454 4.640 -0.001 0.000 0.193 501 D C 1.740 177.909 176.300 -0.218 0.000 1.004 501 D CA 1.672 55.533 54.000 -0.232 0.000 0.860 501 D CB -0.299 40.310 40.800 -0.317 0.000 0.931 501 D HN 0.249 nan 8.370 nan 0.000 0.448 502 Y N 0.625 120.897 120.300 -0.048 0.000 2.070 502 Y HA -0.132 4.417 4.550 -0.001 0.000 0.280 502 Y C 2.452 178.184 175.900 -0.279 0.000 1.148 502 Y CA 1.133 59.176 58.100 -0.095 0.000 1.125 502 Y CB -0.849 37.561 38.460 -0.085 0.000 0.975 502 Y HN 0.106 nan 8.280 nan 0.000 0.492 503 I N -2.590 117.971 120.570 -0.015 0.000 2.928 503 I HA -0.063 4.106 4.170 -0.001 0.000 0.266 503 I C 2.203 178.309 176.117 -0.019 0.000 1.234 503 I CA 1.602 62.857 61.300 -0.075 0.000 1.483 503 I CB -0.228 37.750 38.000 -0.036 0.000 1.097 503 I HN 0.134 nan 8.210 nan 0.000 0.455 504 S N 1.350 117.023 115.700 -0.045 0.000 2.406 504 S HA 0.061 4.530 4.470 -0.001 0.000 0.224 504 S C 2.061 176.610 174.600 -0.086 0.000 1.030 504 S CA 1.107 59.264 58.200 -0.072 0.000 0.958 504 S CB -0.685 62.313 63.200 -0.335 0.000 0.811 504 S HN 0.631 nan 8.310 nan 0.000 0.489 505 G N 0.834 109.591 108.800 -0.073 0.000 2.443 505 G HA2 0.103 4.062 3.960 -0.001 0.000 0.219 505 G HA3 0.103 4.062 3.960 -0.001 0.000 0.219 505 G C 1.589 176.660 174.900 0.285 0.000 1.131 505 G CA 0.842 46.023 45.100 0.134 0.000 0.775 505 G HN 0.660 nan 8.290 nan 0.000 0.547 506 A N 0.813 123.685 122.820 0.086 0.000 1.863 506 A HA -0.032 4.288 4.320 -0.001 0.000 0.218 506 A C 1.427 179.226 177.584 0.358 0.000 1.233 506 A CA 1.403 53.513 52.037 0.121 0.000 0.655 506 A CB -1.127 17.856 19.000 -0.028 0.000 0.839 506 A HN 0.754 nan 8.150 nan 0.000 0.454 507 Y N -3.559 116.806 120.300 0.108 0.000 2.326 507 Y HA 0.515 5.064 4.550 -0.001 0.000 0.324 507 Y C 0.906 176.879 175.900 0.122 0.000 1.291 507 Y CA -0.783 57.377 58.100 0.100 0.000 1.348 507 Y CB 0.667 39.180 38.460 0.087 0.000 1.294 507 Y HN 0.357 nan 8.280 nan 0.000 0.525 508 L N -0.378 120.820 121.223 -0.042 0.000 2.121 508 L HA -0.335 4.004 4.340 -0.001 0.000 0.486 508 L C 1.378 178.345 176.870 0.162 0.000 0.777 508 L CA 1.041 55.968 54.840 0.145 0.000 3.338 508 L CB -1.370 40.858 42.059 0.281 0.000 0.608 508 L HN 0.760 nan 8.230 nan 0.000 0.803 509 L N 0.265 121.393 121.223 -0.157 0.000 2.209 509 L HA 0.025 4.364 4.340 -0.001 0.000 0.207 509 L C 2.268 178.968 176.870 -0.283 0.000 1.094 509 L CA 2.359 56.760 54.840 -0.730 0.000 0.790 509 L CB 0.011 41.684 42.059 -0.644 0.000 0.932 509 L HN 0.573 nan 8.230 nan 0.000 0.447 510 T N -3.108 111.427 114.554 -0.032 0.000 3.040 510 T HA 0.181 4.530 4.350 -0.001 0.000 0.250 510 T C 0.711 175.466 174.700 0.092 0.000 1.058 510 T CA 0.329 62.432 62.100 0.006 0.000 0.988 510 T CB -0.886 67.987 68.868 0.008 0.000 0.993 510 T HN 0.107 nan 8.240 nan 0.000 0.519 511 V N 0.726 120.725 119.914 0.142 0.000 3.432 511 V HA 0.276 4.396 4.120 -0.001 0.000 0.304 511 V C 1.566 177.734 176.094 0.123 0.000 1.107 511 V CA -0.587 61.818 62.300 0.176 0.000 1.153 511 V CB 0.192 32.126 31.823 0.185 0.000 1.072 511 V HN 0.216 nan 8.190 nan 0.000 0.485 512 K N 0.463 120.944 120.400 0.135 0.000 2.032 512 K HA -0.112 4.207 4.320 -0.001 0.000 0.209 512 K C 2.074 178.725 176.600 0.085 0.000 1.048 512 K CA 1.939 58.287 56.287 0.101 0.000 0.927 512 K CB -0.675 31.888 32.500 0.105 0.000 0.712 512 K HN 0.889 nan 8.250 nan 0.000 0.441 513 T N 1.316 115.935 114.554 0.108 0.000 2.918 513 T HA -0.148 4.201 4.350 -0.001 0.000 0.271 513 T C 1.559 176.311 174.700 0.087 0.000 1.104 513 T CA 1.618 63.775 62.100 0.094 0.000 1.114 513 T CB -0.478 68.471 68.868 0.134 0.000 0.855 513 T HN 0.370 nan 8.240 nan 0.000 0.518 514 T N 1.333 115.945 114.554 0.096 0.000 2.520 514 T HA -0.039 4.310 4.350 -0.001 0.000 0.258 514 T C 0.816 175.591 174.700 0.126 0.000 1.125 514 T CA 0.527 62.703 62.100 0.126 0.000 1.206 514 T CB -0.552 68.346 68.868 0.051 0.000 0.864 514 T HN 0.314 nan 8.240 nan 0.000 0.400 515 L N 0.844 122.122 121.223 0.093 0.000 3.291 515 L HA -0.106 4.233 4.340 -0.001 0.000 0.659 515 L C -1.111 175.911 176.870 0.253 0.000 1.042 515 L CA -0.302 54.596 54.840 0.097 0.000 1.256 515 L CB -0.792 41.208 42.059 -0.097 0.000 1.596 515 L HN 0.173 nan 8.230 nan 0.000 0.819 516 L N 3.698 125.119 121.223 0.329 0.000 2.349 516 L HA 0.441 4.780 4.340 -0.001 0.000 0.275 516 L C 1.234 178.376 176.870 0.454 0.000 1.115 516 L CA 0.369 55.432 54.840 0.373 0.000 0.820 516 L CB 1.079 43.309 42.059 0.286 0.000 1.135 516 L HN 0.490 nan 8.230 nan 0.000 0.445 517 T N 2.217 116.967 114.554 0.327 0.000 2.802 517 T HA 0.079 4.428 4.350 -0.001 0.000 0.305 517 T C 1.403 176.178 174.700 0.125 0.000 1.053 517 T CA -0.517 61.633 62.100 0.083 0.000 1.058 517 T CB 0.544 69.456 68.868 0.075 0.000 0.988 517 T HN 0.648 nan 8.240 nan 0.000 0.539 518 K N 1.558 121.971 120.400 0.022 0.000 2.097 518 K HA -0.117 4.202 4.320 -0.001 0.000 0.206 518 K C 1.638 178.297 176.600 0.098 0.000 1.049 518 K CA 1.353 57.735 56.287 0.159 0.000 0.933 518 K CB -0.027 32.498 32.500 0.041 0.000 0.717 518 K HN 0.599 nan 8.250 nan 0.000 0.442 519 E N 1.482 121.710 120.200 0.048 0.000 2.046 519 E HA -0.127 4.222 4.350 -0.001 0.000 0.190 519 E C 2.086 178.717 176.600 0.051 0.000 0.982 519 E CA 0.996 57.419 56.400 0.039 0.000 0.800 519 E CB 0.017 29.733 29.700 0.026 0.000 0.756 519 E HN 0.433 nan 8.360 nan 0.000 0.449 520 E N 1.186 121.432 120.200 0.076 0.000 2.023 520 E HA -0.227 4.122 4.350 -0.001 0.000 0.196 520 E C 2.160 178.813 176.600 0.088 0.000 1.003 520 E CA 1.099 57.558 56.400 0.098 0.000 0.809 520 E CB -0.233 29.555 29.700 0.147 0.000 0.755 520 E HN 0.188 nan 8.360 nan 0.000 0.449 521 A N 1.483 124.354 122.820 0.085 0.000 1.869 521 A HA -0.339 3.980 4.320 -0.001 0.000 0.218 521 A C 2.125 179.677 177.584 -0.054 0.000 1.203 521 A CA 2.077 54.110 52.037 -0.006 0.000 0.638 521 A CB -0.819 18.104 19.000 -0.129 0.000 0.831 521 A HN 0.243 nan 8.150 nan 0.000 0.450 522 Q N -1.400 118.366 119.800 -0.056 0.000 2.170 522 Q HA -0.246 4.093 4.340 -0.001 0.000 0.203 522 Q C 2.337 178.330 176.000 -0.012 0.000 0.976 522 Q CA 1.567 57.339 55.803 -0.053 0.000 0.858 522 Q CB -0.145 28.570 28.738 -0.038 0.000 0.907 522 Q HN 0.838 nan 8.270 nan 0.000 0.433 523 Q N 0.673 120.480 119.800 0.013 0.000 2.096 523 Q HA -0.113 4.226 4.340 -0.001 0.000 0.204 523 Q C 0.314 176.335 176.000 0.035 0.000 0.982 523 Q CA 0.675 56.494 55.803 0.027 0.000 0.850 523 Q CB 0.050 28.811 28.738 0.038 0.000 0.901 523 Q HN 0.357 nan 8.270 nan 0.000 0.422 524 I N 2.293 122.890 120.570 0.045 0.000 2.800 524 I HA -0.112 4.057 4.170 -0.001 0.000 0.309 524 I C -0.171 175.966 176.117 0.034 0.000 1.182 524 I CA 0.327 61.660 61.300 0.055 0.000 1.794 524 I CB 0.012 38.055 38.000 0.070 0.000 1.548 524 I HN 0.275 nan 8.210 nan 0.000 0.850 525 L N 4.980 126.227 121.223 0.040 0.000 3.035 525 L HA 0.215 4.554 4.340 -0.001 0.000 0.338 525 L C 1.244 178.140 176.870 0.044 0.000 1.292 525 L CA 0.236 55.103 54.840 0.046 0.000 0.764 525 L CB 0.832 42.910 42.059 0.032 0.000 1.187 525 L HN 0.504 nan 8.230 nan 0.000 0.574 526 G N 0.498 109.319 108.800 0.035 0.000 3.318 526 G HA2 0.224 4.183 3.960 -0.001 0.000 0.230 526 G HA3 0.224 4.183 3.960 -0.001 0.000 0.230 526 G C 0.283 175.190 174.900 0.013 0.000 1.317 526 G CA 0.176 45.292 45.100 0.027 0.000 1.197 526 G HN 0.125 nan 8.290 nan 0.000 0.514 527 V N 0.181 120.115 119.914 0.034 0.000 2.435 527 V HA 0.635 4.754 4.120 -0.001 0.000 0.290 527 V C 1.044 177.192 176.094 0.089 0.000 1.030 527 V CA -0.645 61.671 62.300 0.027 0.000 0.881 527 V CB 0.813 32.703 31.823 0.112 0.000 0.983 527 V HN 0.325 nan 8.190 nan 0.000 0.445 528 A N 3.247 126.120 122.820 0.088 0.000 2.877 528 A HA -0.093 4.226 4.320 -0.001 0.000 0.167 528 A C 1.472 179.202 177.584 0.244 0.000 1.210 528 A CA 1.294 53.422 52.037 0.152 0.000 0.889 528 A CB -0.713 18.378 19.000 0.150 0.000 0.935 528 A HN 0.933 nan 8.150 nan 0.000 0.544 529 D N -0.733 119.875 120.400 0.346 0.000 2.387 529 D HA 0.003 4.642 4.640 -0.001 0.000 0.257 529 D C 0.385 176.872 176.300 0.310 0.000 1.198 529 D CA 0.286 54.428 54.000 0.236 0.000 0.945 529 D CB -0.866 39.954 40.800 0.033 0.000 0.907 529 D HN 0.194 nan 8.370 nan 0.000 0.518 530 V N 1.360 121.563 119.914 0.481 0.000 2.536 530 V HA -0.132 3.987 4.120 -0.001 0.000 0.287 530 V C 1.383 177.600 176.094 0.204 0.000 0.979 530 V CA 0.514 63.095 62.300 0.468 0.000 1.161 530 V CB 0.100 32.154 31.823 0.385 0.000 0.915 530 V HN 0.234 nan 8.190 nan 0.000 0.467 531 K N 5.503 125.978 120.400 0.126 0.000 2.160 531 K HA -0.125 4.194 4.320 -0.001 0.000 0.206 531 K C 1.272 177.878 176.600 0.011 0.000 1.047 531 K CA 1.727 58.026 56.287 0.020 0.000 0.930 531 K CB -0.064 32.416 32.500 -0.033 0.000 0.720 531 K HN 0.853 nan 8.250 nan 0.000 0.450 532 I N -0.583 119.992 120.570 0.009 0.000 5.422 532 I HA -0.256 3.913 4.170 -0.001 0.000 0.259 532 I C -0.806 175.282 176.117 -0.049 0.000 1.812 532 I CA 0.251 61.541 61.300 -0.017 0.000 2.008 532 I CB -1.532 36.470 38.000 0.003 0.000 3.340 532 I HN 0.201 nan 8.210 nan 0.000 0.173 533 D N 4.516 124.886 120.400 -0.049 0.000 2.660 533 D HA 0.006 4.645 4.640 -0.001 0.000 0.253 533 D C 0.868 177.131 176.300 -0.062 0.000 1.256 533 D CA 0.446 54.416 54.000 -0.050 0.000 0.914 533 D CB 0.296 41.068 40.800 -0.047 0.000 1.137 533 D HN 0.201 nan 8.370 nan 0.000 0.542 534 L N 2.233 123.429 121.223 -0.045 0.000 3.595 534 L HA -0.172 4.168 4.340 -0.001 0.000 0.425 534 L C 0.635 177.481 176.870 -0.040 0.000 1.139 534 L CA 1.063 55.882 54.840 -0.035 0.000 0.733 534 L CB -0.273 41.782 42.059 -0.006 0.000 1.061 534 L HN 0.434 nan 8.230 nan 0.000 0.766 535 G N 5.228 113.992 108.800 -0.060 0.000 2.372 535 G HA2 0.384 4.343 3.960 -0.001 0.000 0.283 535 G HA3 0.384 4.343 3.960 -0.001 0.000 0.283 535 G C -0.446 174.574 174.900 0.201 0.000 1.177 535 G CA -0.542 44.561 45.100 0.004 0.000 0.842 535 G HN 0.806 nan 8.290 nan 0.000 0.503 536 E N 2.839 123.144 120.200 0.175 0.000 2.028 536 E HA 0.207 4.556 4.350 -0.001 0.000 0.266 536 E C -2.096 174.580 176.600 0.127 0.000 0.962 536 E CA -1.459 55.024 56.400 0.138 0.000 0.784 536 E CB 1.031 30.770 29.700 0.064 0.000 1.114 536 E HN 0.288 nan 8.360 nan 0.000 0.414 537 P HA -0.228 nan 4.420 nan 0.000 0.263 537 P C 0.279 177.504 177.300 -0.125 0.000 1.145 537 P CA 0.375 63.278 63.100 -0.330 0.000 0.755 537 P CB 0.664 32.111 31.700 -0.422 0.000 0.746 538 A N 3.941 126.718 122.820 -0.073 0.000 1.873 538 A HA -0.064 4.255 4.320 -0.001 0.000 0.215 538 A C 0.932 178.513 177.584 -0.006 0.000 1.186 538 A CA 1.178 53.224 52.037 0.015 0.000 0.616 538 A CB -0.441 18.605 19.000 0.077 0.000 0.823 538 A HN 0.511 nan 8.150 nan 0.000 0.442 539 I N -0.028 120.533 120.570 -0.016 0.000 2.321 539 I HA 0.292 4.461 4.170 -0.001 0.000 0.291 539 I C 0.490 176.602 176.117 -0.009 0.000 0.998 539 I CA 0.153 61.462 61.300 0.016 0.000 1.227 539 I CB 1.651 39.695 38.000 0.072 0.000 1.368 539 I HN 0.154 nan 8.210 nan 0.000 0.466 540 L N 5.526 126.745 121.223 -0.007 0.000 2.731 540 L HA 0.383 4.723 4.340 -0.001 0.000 0.240 540 L C 1.709 178.581 176.870 0.004 0.000 1.120 540 L CA 0.065 54.894 54.840 -0.019 0.000 0.913 540 L CB -0.121 41.925 42.059 -0.021 0.000 1.213 540 L HN 0.752 nan 8.230 nan 0.000 0.515 541 A N 1.194 124.027 122.820 0.020 0.000 3.343 541 A HA 0.095 4.414 4.320 -0.001 0.000 0.151 541 A C -1.649 175.956 177.584 0.035 0.000 0.831 541 A CA 0.176 52.227 52.037 0.024 0.000 1.197 541 A CB -1.728 17.285 19.000 0.022 0.000 0.961 541 A HN 0.072 nan 8.150 nan 0.000 0.538 542 P HA 0.350 nan 4.420 nan 0.000 0.267 542 P C 0.323 177.688 177.300 0.109 0.000 1.205 542 P CA 0.231 63.365 63.100 0.058 0.000 0.765 542 P CB 0.460 32.191 31.700 0.051 0.000 0.828 543 R N 1.344 121.891 120.500 0.078 0.000 3.646 543 R HA -0.158 4.181 4.340 -0.001 0.000 0.562 543 R C -0.521 175.780 176.300 0.003 0.000 0.241 543 R CA 0.937 57.066 56.100 0.048 0.000 1.740 543 R CB -0.422 29.953 30.300 0.124 0.000 0.962 543 R HN 0.501 nan 8.270 nan 0.000 0.584 544 E N 0.536 120.619 120.200 -0.194 0.000 2.183 544 E HA 0.411 4.760 4.350 -0.001 0.000 0.271 544 E C -1.153 175.112 176.600 -0.558 0.000 0.919 544 E CA -0.286 55.944 56.400 -0.283 0.000 0.781 544 E CB 1.545 31.074 29.700 -0.284 0.000 1.140 544 E HN 0.356 nan 8.360 nan 0.000 0.402 545 Y N 0.491 120.616 120.300 -0.292 0.000 2.581 545 Y HA 0.336 4.885 4.550 -0.001 0.000 0.337 545 Y C -1.123 174.523 175.900 -0.423 0.000 1.108 545 Y CA -0.981 56.960 58.100 -0.266 0.000 1.033 545 Y CB 1.723 40.133 38.460 -0.085 0.000 1.318 545 Y HN 0.378 nan 8.280 nan 0.000 0.459 546 Y N -0.142 120.264 120.300 0.176 0.000 2.409 546 Y HA 0.545 5.095 4.550 -0.001 0.000 0.343 546 Y C 0.149 176.100 175.900 0.085 0.000 0.973 546 Y CA -1.494 56.658 58.100 0.087 0.000 1.064 546 Y CB 1.675 40.151 38.460 0.027 0.000 1.207 546 Y HN 0.496 nan 8.280 nan 0.000 0.452 547 T N -1.182 113.482 114.554 0.184 0.000 2.868 547 T HA 0.267 4.616 4.350 -0.001 0.000 0.292 547 T C 1.364 176.089 174.700 0.042 0.000 1.028 547 T CA -0.161 61.998 62.100 0.098 0.000 1.059 547 T CB 1.400 70.301 68.868 0.056 0.000 0.991 547 T HN 0.940 nan 8.240 nan 0.000 0.531 548 G N 0.350 109.132 108.800 -0.030 0.000 2.408 548 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.217 548 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.217 548 G C 1.389 176.197 174.900 -0.153 0.000 1.150 548 G CA 0.193 45.202 45.100 -0.151 0.000 0.776 548 G HN 0.730 nan 8.290 nan 0.000 0.542 549 K N -0.055 120.289 120.400 -0.094 0.000 2.218 549 K HA -0.174 4.145 4.320 -0.001 0.000 0.205 549 K C 2.451 178.998 176.600 -0.087 0.000 1.046 549 K CA 1.499 57.730 56.287 -0.093 0.000 0.933 549 K CB -0.067 32.421 32.500 -0.020 0.000 0.728 549 K HN 0.509 nan 8.250 nan 0.000 0.454 550 Q N 0.830 120.599 119.800 -0.053 0.000 1.942 550 Q HA -0.156 4.183 4.340 -0.001 0.000 0.203 550 Q C 2.007 177.930 176.000 -0.127 0.000 0.987 550 Q CA 1.818 57.594 55.803 -0.045 0.000 0.844 550 Q CB -0.450 28.309 28.738 0.035 0.000 0.911 550 Q HN 0.122 nan 8.270 nan 0.000 0.423 551 V N 1.042 120.855 119.914 -0.169 0.000 2.370 551 V HA -0.267 3.852 4.120 -0.001 0.000 0.252 551 V C 2.201 178.073 176.094 -0.370 0.000 1.068 551 V CA 2.210 64.345 62.300 -0.274 0.000 1.061 551 V CB -0.637 31.029 31.823 -0.262 0.000 0.656 551 V HN 0.644 nan 8.190 nan 0.000 0.455 552 I N -1.077 119.320 120.570 -0.288 0.000 2.876 552 I HA 0.007 4.176 4.170 -0.001 0.000 0.264 552 I C 2.445 178.472 176.117 -0.150 0.000 1.204 552 I CA 1.951 63.121 61.300 -0.216 0.000 1.485 552 I CB -1.018 36.827 38.000 -0.258 0.000 1.103 552 I HN 0.194 nan 8.210 nan 0.000 0.446 553 S N 1.526 117.141 115.700 -0.142 0.000 2.420 553 S HA -0.164 4.306 4.470 -0.001 0.000 0.237 553 S C 2.234 176.792 174.600 -0.070 0.000 1.023 553 S CA 1.264 59.433 58.200 -0.052 0.000 0.991 553 S CB -0.642 62.537 63.200 -0.035 0.000 0.792 553 S HN 0.696 nan 8.310 nan 0.000 0.488 554 A N 0.014 122.706 122.820 -0.212 0.000 2.019 554 A HA 0.113 4.432 4.320 -0.001 0.000 0.219 554 A C 1.641 179.133 177.584 -0.153 0.000 1.164 554 A CA 1.114 52.996 52.037 -0.258 0.000 0.644 554 A CB -0.748 17.985 19.000 -0.445 0.000 0.805 554 A HN 0.624 nan 8.150 nan 0.000 0.449 555 F N -0.352 119.630 119.950 0.054 0.000 2.615 555 F HA 0.278 4.804 4.527 -0.001 0.000 0.297 555 F C 0.818 176.763 175.800 0.243 0.000 1.124 555 F CA -0.129 57.966 58.000 0.158 0.000 1.451 555 F CB -0.260 38.677 39.000 -0.105 0.000 1.103 555 F HN -0.004 nan 8.300 nan 0.000 0.569 556 L N 1.859 123.242 121.223 0.267 0.000 2.312 556 L HA 0.307 4.646 4.340 -0.001 0.000 0.281 556 L C -2.125 174.762 176.870 0.028 0.000 1.070 556 L CA -2.024 52.913 54.840 0.161 0.000 0.805 556 L CB 0.853 43.025 42.059 0.188 0.000 1.174 556 L HN -0.269 nan 8.230 nan 0.000 0.434 557 P HA -0.006 nan 4.420 nan 0.000 0.267 557 P C -0.327 176.951 177.300 -0.036 0.000 1.209 557 P CA -0.248 62.666 63.100 -0.310 0.000 0.763 557 P CB 0.229 31.427 31.700 -0.837 0.000 0.816 558 K N 2.108 122.494 120.400 -0.024 0.000 2.706 558 K HA -0.012 4.307 4.320 -0.001 0.000 0.217 558 K C 0.081 176.696 176.600 0.026 0.000 1.019 558 K CA 0.506 56.803 56.287 0.016 0.000 1.181 558 K CB -0.346 32.149 32.500 -0.008 0.000 0.940 558 K HN 0.433 nan 8.250 nan 0.000 0.491 559 D N -0.541 119.907 120.400 0.079 0.000 2.525 559 D HA -0.015 4.624 4.640 -0.001 0.000 0.231 559 D C -0.387 175.984 176.300 0.119 0.000 1.216 559 D CA -0.651 53.384 54.000 0.059 0.000 0.813 559 D CB -0.331 40.514 40.800 0.076 0.000 1.108 559 D HN 0.116 nan 8.370 nan 0.000 0.524 560 F N 2.177 122.157 119.950 0.049 0.000 2.404 560 F HA 0.533 5.059 4.527 -0.001 0.000 0.345 560 F C -0.773 175.066 175.800 0.064 0.000 1.110 560 F CA -0.519 57.556 58.000 0.125 0.000 1.130 560 F CB 0.710 39.826 39.000 0.192 0.000 1.129 560 F HN -0.246 nan 8.300 nan 0.000 0.500 561 N N 5.912 124.155 118.700 -0.762 0.000 2.238 561 N HA 0.577 5.316 4.740 -0.001 0.000 0.302 561 N C -2.013 173.114 175.510 -0.638 0.000 1.072 561 N CA -0.644 52.020 53.050 -0.643 0.000 0.792 561 N CB 2.155 40.406 38.487 -0.393 0.000 1.425 561 N HN 0.522 nan 8.380 nan 0.000 0.478 562 F N 0.821 120.424 119.950 -0.577 0.000 2.588 562 F HA 0.398 4.924 4.527 -0.001 0.000 0.314 562 F C -1.321 174.369 175.800 -0.184 0.000 1.134 562 F CA -0.494 57.365 58.000 -0.235 0.000 0.961 562 F CB 1.370 40.300 39.000 -0.117 0.000 1.239 562 F HN 0.549 nan 8.300 nan 0.000 0.448 563 H N 3.262 121.995 119.070 -0.562 0.000 2.481 563 H HA 0.779 5.335 4.556 -0.001 0.000 0.333 563 H C 0.104 174.762 175.328 -1.117 0.000 1.066 563 H CA -0.377 55.327 56.048 -0.574 0.000 1.209 563 H CB 1.689 31.399 29.762 -0.087 0.000 1.445 563 H HN 0.934 nan 8.280 nan 0.000 0.488 564 G N 1.864 110.176 108.800 -0.813 0.000 2.466 564 G HA2 0.219 4.178 3.960 -0.001 0.000 0.291 564 G HA3 0.219 4.178 3.960 -0.001 0.000 0.291 564 G C -1.942 172.848 174.900 -0.182 0.000 1.460 564 G CA -0.919 43.950 45.100 -0.384 0.000 0.791 564 G HN 0.566 nan 8.290 nan 0.000 0.505 565 Q N 0.071 119.987 119.800 0.193 0.000 2.316 565 Q HA 0.732 5.071 4.340 -0.001 0.000 0.264 565 Q C 0.332 176.433 176.000 0.169 0.000 0.987 565 Q CA -0.373 55.598 55.803 0.279 0.000 0.852 565 Q CB 1.710 30.641 28.738 0.323 0.000 1.287 565 Q HN 1.089 nan 8.270 nan 0.000 0.448 566 A N 3.043 125.939 122.820 0.127 0.000 2.251 566 A HA 0.114 4.433 4.320 -0.001 0.000 0.278 566 A C 0.553 178.146 177.584 0.015 0.000 1.206 566 A CA 0.093 52.161 52.037 0.052 0.000 0.822 566 A CB 0.109 19.124 19.000 0.025 0.000 1.187 566 A HN 1.018 nan 8.150 nan 0.000 0.504 567 N N -1.562 117.112 118.700 -0.045 0.000 2.354 567 N HA -0.097 4.642 4.740 -0.001 0.000 0.179 567 N C 1.233 176.695 175.510 -0.080 0.000 1.021 567 N CA 1.446 54.458 53.050 -0.063 0.000 0.887 567 N CB -0.208 38.225 38.487 -0.090 0.000 0.974 567 N HN 0.284 nan 8.380 nan 0.000 0.437 568 V N -0.686 119.161 119.914 -0.111 0.000 2.490 568 V HA -0.067 4.052 4.120 -0.001 0.000 0.250 568 V C 1.192 177.259 176.094 -0.045 0.000 1.061 568 V CA 0.982 63.212 62.300 -0.116 0.000 1.064 568 V CB -0.811 30.912 31.823 -0.167 0.000 0.670 568 V HN 0.253 nan 8.190 nan 0.000 0.461 569 S N 1.627 117.328 115.700 0.003 0.000 3.355 569 S HA 0.281 4.750 4.470 -0.001 0.000 0.293 569 S C 0.169 174.780 174.600 0.018 0.000 1.197 569 S CA 0.334 58.557 58.200 0.038 0.000 1.117 569 S CB -0.941 62.317 63.200 0.097 0.000 1.587 569 S HN 0.820 nan 8.310 nan 0.000 0.536 570 S N 2.247 117.945 115.700 -0.003 0.000 2.590 570 S HA 0.673 5.142 4.470 -0.001 0.000 0.286 570 S C 0.211 174.810 174.600 -0.002 0.000 1.147 570 S CA -0.330 57.868 58.200 -0.003 0.000 0.963 570 S CB 0.823 64.013 63.200 -0.018 0.000 1.124 570 S HN 1.301 nan 8.310 nan 0.000 0.458 571 G N 4.427 113.233 108.800 0.011 0.000 2.669 571 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.250 571 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.250 571 G C -1.606 173.301 174.900 0.012 0.000 1.247 571 G CA 0.133 45.246 45.100 0.022 0.000 0.958 571 G HN 0.887 nan 8.290 nan 0.000 0.559 572 P HA 0.095 nan 4.420 nan 0.000 0.229 572 P C 1.334 178.547 177.300 -0.144 0.000 1.160 572 P CA 0.997 64.088 63.100 -0.016 0.000 0.777 572 P CB -0.019 31.677 31.700 -0.006 0.000 0.814 573 R N -0.913 119.454 120.500 -0.222 0.000 2.334 573 R HA 0.265 4.604 4.340 -0.001 0.000 0.216 573 R C 1.037 177.305 176.300 -0.053 0.000 0.905 573 R CA -0.348 55.468 56.100 -0.472 0.000 1.064 573 R CB -0.520 29.582 30.300 -0.330 0.000 1.046 573 R HN 0.160 nan 8.270 nan 0.000 0.508 574 L N 0.010 121.249 121.223 0.027 0.000 2.653 574 L HA -0.279 4.060 4.340 -0.001 0.000 0.288 574 L C 0.356 177.305 176.870 0.132 0.000 1.243 574 L CA 0.716 55.601 54.840 0.076 0.000 0.906 574 L CB 0.512 42.603 42.059 0.053 0.000 1.154 574 L HN 0.446 nan 8.230 nan 0.000 0.498 575 C N 3.128 122.493 119.300 0.108 0.000 2.544 575 C HA 0.101 4.560 4.460 -0.001 0.000 0.475 575 C C 1.909 176.847 174.990 -0.088 0.000 1.360 575 C CA -0.022 59.050 59.018 0.090 0.000 2.555 575 C CB 0.016 27.874 27.740 0.197 0.000 3.012 575 C HN 1.115 nan 8.230 nan 0.000 0.552 576 K N -0.220 120.073 120.400 -0.179 0.000 10.523 576 K HA -0.243 4.076 4.320 -0.001 0.000 0.521 576 K C -0.052 176.040 176.600 -0.846 0.000 0.393 576 K CA 2.182 58.227 56.287 -0.402 0.000 1.930 576 K CB -1.072 31.311 32.500 -0.196 0.000 0.780 576 K HN 0.432 nan 8.250 nan 0.000 1.177 577 N N 0.492 118.864 118.700 -0.547 0.000 2.466 577 N HA 0.039 4.779 4.740 -0.001 0.000 0.294 577 N C 0.567 175.895 175.510 -0.303 0.000 1.129 577 N CA 0.085 52.855 53.050 -0.467 0.000 0.931 577 N CB 1.376 39.734 38.487 -0.216 0.000 1.193 577 N HN 0.213 nan 8.380 nan 0.000 0.500 578 E N -0.585 119.568 120.200 -0.078 0.000 2.331 578 E HA -0.200 4.149 4.350 -0.001 0.000 0.199 578 E C -0.296 176.369 176.600 0.108 0.000 1.008 578 E CA 0.778 57.296 56.400 0.197 0.000 0.843 578 E CB -0.229 29.609 29.700 0.230 0.000 0.761 578 E HN 0.435 nan 8.360 nan 0.000 0.507 579 D N 0.634 121.047 120.400 0.022 0.000 2.338 579 D HA 0.093 4.732 4.640 -0.001 0.000 0.255 579 D C -1.425 174.878 176.300 0.006 0.000 1.237 579 D CA -0.286 53.721 54.000 0.012 0.000 0.883 579 D CB 0.305 41.097 40.800 -0.013 0.000 1.087 579 D HN -0.002 nan 8.370 nan 0.000 0.485 580 C N 6.745 126.058 119.300 0.023 0.000 2.789 580 C HA 0.238 4.698 4.460 -0.001 0.000 0.367 580 C C -1.109 173.852 174.990 -0.048 0.000 1.062 580 C CA -1.027 57.995 59.018 0.007 0.000 1.297 580 C CB 1.649 29.445 27.740 0.094 0.000 1.794 580 C HN 0.591 nan 8.230 nan 0.000 0.474 581 P HA -0.178 nan 4.420 nan 0.000 0.222 581 P C 0.220 177.348 177.300 -0.286 0.000 1.159 581 P CA 1.714 64.620 63.100 -0.323 0.000 0.920 581 P CB -0.056 31.261 31.700 -0.639 0.000 0.793 582 H N -1.714 117.422 119.070 0.109 0.000 2.472 582 H HA 0.151 4.707 4.556 -0.001 0.000 0.335 582 H C 0.338 175.754 175.328 0.147 0.000 1.136 582 H CA -0.671 55.462 56.048 0.142 0.000 1.264 582 H CB 0.579 30.427 29.762 0.143 0.000 1.486 582 H HN -0.056 nan 8.280 nan 0.000 0.517 583 D N 0.976 121.547 120.400 0.285 0.000 2.348 583 D HA -0.065 4.574 4.640 -0.001 0.000 0.248 583 D C 0.926 177.355 176.300 0.216 0.000 1.142 583 D CA 0.247 54.383 54.000 0.226 0.000 0.904 583 D CB 0.061 40.992 40.800 0.219 0.000 0.901 583 D HN 0.430 nan 8.370 nan 0.000 0.523 584 S N -0.546 115.295 115.700 0.234 0.000 2.632 584 S HA 0.081 4.550 4.470 -0.001 0.000 0.254 584 S C -0.278 174.482 174.600 0.266 0.000 1.291 584 S CA -0.447 57.878 58.200 0.208 0.000 0.974 584 S CB 0.062 63.383 63.200 0.201 0.000 1.016 584 S HN 0.296 nan 8.310 nan 0.000 0.579 585 Y N -0.303 120.067 120.300 0.117 0.000 2.634 585 Y HA -0.165 4.384 4.550 -0.001 0.000 0.072 585 Y C -0.708 175.280 175.900 0.147 0.000 1.791 585 Y CA 0.470 58.641 58.100 0.118 0.000 1.315 585 Y CB -1.215 37.300 38.460 0.091 0.000 1.961 585 Y HN 0.460 nan 8.280 nan 0.000 0.276 586 V N 6.597 126.314 119.914 -0.329 0.000 2.498 586 V HA 0.558 4.678 4.120 -0.001 0.000 0.279 586 V C 0.063 176.002 176.094 -0.258 0.000 1.048 586 V CA -0.700 61.527 62.300 -0.121 0.000 0.967 586 V CB 1.403 33.295 31.823 0.115 0.000 0.988 586 V HN 0.537 nan 8.190 nan 0.000 0.473 587 V N 6.183 126.071 119.914 -0.043 0.000 2.444 587 V HA 0.537 4.656 4.120 -0.001 0.000 0.294 587 V C -0.338 175.758 176.094 0.004 0.000 1.022 587 V CA -0.295 61.985 62.300 -0.033 0.000 0.850 587 V CB 1.588 33.455 31.823 0.073 0.000 0.992 587 V HN 0.754 nan 8.190 nan 0.000 0.426 588 I N 5.032 125.557 120.570 -0.074 0.000 2.448 588 I HA 0.452 4.621 4.170 -0.001 0.000 0.281 588 I C -0.327 175.695 176.117 -0.158 0.000 1.027 588 I CA -0.372 60.925 61.300 -0.004 0.000 1.111 588 I CB 1.601 39.693 38.000 0.153 0.000 1.236 588 I HN 0.491 nan 8.210 nan 0.000 0.452 589 K N 5.740 126.073 120.400 -0.113 0.000 2.358 589 K HA 0.414 4.733 4.320 -0.001 0.000 0.260 589 K C -0.355 176.183 176.600 -0.104 0.000 0.956 589 K CA -0.760 55.423 56.287 -0.172 0.000 0.834 589 K CB 1.145 33.540 32.500 -0.175 0.000 1.102 589 K HN 0.501 nan 8.250 nan 0.000 0.431 590 N N 1.667 120.292 118.700 -0.125 0.000 2.725 590 N HA -0.193 4.546 4.740 -0.001 0.000 0.251 590 N C 0.286 175.823 175.510 0.045 0.000 1.031 590 N CA 1.275 54.292 53.050 -0.054 0.000 0.720 590 N CB -1.584 36.842 38.487 -0.103 0.000 0.930 590 N HN 1.122 nan 8.380 nan 0.000 0.543 591 G N -0.627 108.266 108.800 0.156 0.000 2.338 591 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.296 591 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.296 591 G C -0.152 174.813 174.900 0.108 0.000 1.040 591 G CA 0.431 45.654 45.100 0.204 0.000 1.004 591 G HN 0.556 nan 8.290 nan 0.000 0.509 592 I N -0.329 120.291 120.570 0.084 0.000 2.436 592 I HA 0.349 4.518 4.170 -0.001 0.000 0.289 592 I C 0.451 176.609 176.117 0.069 0.000 1.010 592 I CA -1.336 59.993 61.300 0.049 0.000 1.098 592 I CB 1.776 39.785 38.000 0.016 0.000 1.266 592 I HN 0.043 nan 8.210 nan 0.000 0.434 593 L N 7.006 128.264 121.223 0.057 0.000 2.466 593 L HA 0.337 4.677 4.340 -0.001 0.000 0.248 593 L C -0.400 176.505 176.870 0.059 0.000 1.240 593 L CA -0.440 54.445 54.840 0.075 0.000 1.180 593 L CB -0.074 41.998 42.059 0.022 0.000 1.413 593 L HN 0.473 nan 8.230 nan 0.000 0.406 594 L N 5.269 126.527 121.223 0.059 0.000 2.363 594 L HA 0.185 4.524 4.340 -0.001 0.000 0.286 594 L C 0.574 177.492 176.870 0.080 0.000 1.106 594 L CA -0.143 54.732 54.840 0.058 0.000 0.859 594 L CB -0.132 41.955 42.059 0.047 0.000 1.223 594 L HN 0.623 nan 8.230 nan 0.000 0.446 595 E N 2.730 122.983 120.200 0.088 0.000 7.804 595 E HA -0.070 4.279 4.350 -0.001 0.000 0.466 595 E C -0.288 176.392 176.600 0.132 0.000 0.570 595 E CA 0.261 56.728 56.400 0.112 0.000 0.997 595 E CB -0.823 28.950 29.700 0.121 0.000 0.977 595 E HN 0.956 nan 8.360 nan 0.000 0.297 596 G N -0.090 108.803 108.800 0.156 0.000 2.453 596 G HA2 0.293 4.252 3.960 -0.001 0.000 0.665 596 G HA3 0.293 4.252 3.960 -0.001 0.000 0.665 596 G C -1.086 173.950 174.900 0.227 0.000 1.411 596 G CA -0.480 44.731 45.100 0.184 0.000 0.889 596 G HN 0.951 nan 8.290 nan 0.000 0.651 597 V N 2.237 122.286 119.914 0.225 0.000 2.417 597 V HA 0.611 4.730 4.120 -0.001 0.000 0.291 597 V C 0.317 176.591 176.094 0.300 0.000 1.024 597 V CA -0.625 61.816 62.300 0.236 0.000 0.861 597 V CB 1.387 33.280 31.823 0.117 0.000 0.985 597 V HN 0.625 nan 8.190 nan 0.000 0.436 598 F N 5.278 125.266 119.950 0.063 0.000 2.429 598 F HA 0.432 4.958 4.527 -0.001 0.000 0.348 598 F C 0.556 176.325 175.800 -0.053 0.000 1.109 598 F CA 0.295 58.317 58.000 0.036 0.000 1.232 598 F CB 1.230 40.288 39.000 0.097 0.000 1.157 598 F HN 0.777 nan 8.300 nan 0.000 0.564 599 D N 0.848 121.243 120.400 -0.008 0.000 3.213 599 D HA 0.040 4.679 4.640 -0.001 0.000 0.357 599 D C 0.286 176.523 176.300 -0.105 0.000 1.446 599 D CA -0.732 53.214 54.000 -0.089 0.000 0.893 599 D CB 0.430 41.120 40.800 -0.183 0.000 1.466 599 D HN 0.316 nan 8.370 nan 0.000 0.541 600 K N -0.157 120.186 120.400 -0.096 0.000 2.034 600 K HA -0.186 4.133 4.320 -0.001 0.000 0.214 600 K C 1.474 178.016 176.600 -0.097 0.000 1.051 600 K CA 1.331 57.567 56.287 -0.085 0.000 0.931 600 K CB -0.101 32.356 32.500 -0.071 0.000 0.715 600 K HN 0.159 nan 8.250 nan 0.000 0.446 601 K N -0.158 120.188 120.400 -0.090 0.000 2.442 601 K HA -0.117 4.202 4.320 -0.001 0.000 0.199 601 K C 1.621 178.138 176.600 -0.138 0.000 1.044 601 K CA 1.183 57.424 56.287 -0.077 0.000 0.941 601 K CB -0.005 32.480 32.500 -0.025 0.000 0.759 601 K HN 0.367 nan 8.250 nan 0.000 0.472 602 A N 0.223 122.917 122.820 -0.210 0.000 2.013 602 A HA 0.154 4.474 4.320 -0.001 0.000 0.204 602 A C 1.525 178.931 177.584 -0.297 0.000 1.262 602 A CA 0.188 51.998 52.037 -0.378 0.000 0.800 602 A CB 0.341 18.920 19.000 -0.702 0.000 0.909 602 A HN 0.279 nan 8.150 nan 0.000 0.472 603 I N -3.438 117.032 120.570 -0.167 0.000 4.026 603 I HA 0.451 4.620 4.170 -0.001 0.000 0.324 603 I C 0.782 176.857 176.117 -0.070 0.000 1.474 603 I CA -0.393 60.884 61.300 -0.038 0.000 1.107 603 I CB 0.130 38.238 38.000 0.181 0.000 1.345 603 I HN 0.054 nan 8.210 nan 0.000 0.531 604 G N 1.474 110.215 108.800 -0.099 0.000 2.553 604 G HA2 0.097 4.056 3.960 -0.001 0.000 0.278 604 G HA3 0.097 4.056 3.960 -0.001 0.000 0.278 604 G C 0.414 175.241 174.900 -0.121 0.000 1.349 604 G CA -0.384 44.656 45.100 -0.101 0.000 1.037 604 G HN 0.349 nan 8.290 nan 0.000 0.508 605 N N -0.428 118.208 118.700 -0.107 0.000 2.501 605 N HA -0.029 4.710 4.740 -0.001 0.000 0.195 605 N C 0.864 176.322 175.510 -0.087 0.000 1.213 605 N CA 0.057 53.045 53.050 -0.102 0.000 0.864 605 N CB 0.095 38.536 38.487 -0.077 0.000 0.999 605 N HN 0.492 nan 8.380 nan 0.000 0.454 606 Q N 2.000 121.747 119.800 -0.089 0.000 2.388 606 Q HA -0.077 4.262 4.340 -0.001 0.000 0.302 606 Q C 0.912 176.860 176.000 -0.086 0.000 1.149 606 Q CA 0.491 56.245 55.803 -0.081 0.000 1.014 606 Q CB 0.260 28.948 28.738 -0.084 0.000 1.072 606 Q HN 0.290 nan 8.270 nan 0.000 0.395 607 Q N 4.941 124.701 119.800 -0.067 0.000 1.755 607 Q HA 0.012 4.351 4.340 -0.001 0.000 0.320 607 Q C -0.959 175.037 176.000 -0.006 0.000 0.959 607 Q CA 0.493 56.259 55.803 -0.062 0.000 0.889 607 Q CB -1.102 27.611 28.738 -0.042 0.000 0.920 607 Q HN 0.525 nan 8.270 nan 0.000 0.421 608 P HA -0.269 nan 4.420 nan 0.000 0.262 608 P C -0.340 177.079 177.300 0.199 0.000 0.791 608 P CA 1.950 65.197 63.100 0.244 0.000 1.083 608 P CB -0.160 31.590 31.700 0.083 0.000 0.832 609 E N -2.618 117.559 120.200 -0.039 0.000 3.918 609 E HA 0.252 4.601 4.350 -0.001 0.000 0.183 609 E C -0.224 176.031 176.600 -0.575 0.000 1.021 609 E CA -0.244 55.889 56.400 -0.445 0.000 1.431 609 E CB 0.318 30.013 29.700 -0.008 0.000 1.140 609 E HN 0.055 nan 8.360 nan 0.000 0.435 610 S N 0.761 116.247 115.700 -0.358 0.000 2.550 610 S HA 0.032 4.501 4.470 -0.001 0.000 0.285 610 S C 1.595 175.929 174.600 -0.443 0.000 1.326 610 S CA -0.127 57.887 58.200 -0.310 0.000 1.037 610 S CB 0.378 63.462 63.200 -0.194 0.000 0.838 610 S HN 0.351 nan 8.310 nan 0.000 0.519 611 I N 3.486 123.770 120.570 -0.476 0.000 2.118 611 I HA -0.244 3.925 4.170 -0.001 0.000 0.241 611 I C 2.402 178.445 176.117 -0.125 0.000 1.070 611 I CA 1.686 62.759 61.300 -0.378 0.000 1.327 611 I CB -0.362 37.387 38.000 -0.418 0.000 1.034 611 I HN 0.728 nan 8.210 nan 0.000 0.405 612 L N 0.065 121.199 121.223 -0.147 0.000 2.051 612 L HA -0.337 4.002 4.340 -0.001 0.000 0.214 612 L C 2.792 179.648 176.870 -0.023 0.000 1.076 612 L CA 1.822 56.629 54.840 -0.054 0.000 0.758 612 L CB -0.637 41.403 42.059 -0.032 0.000 0.890 612 L HN 0.385 nan 8.230 nan 0.000 0.433 613 H N -0.165 118.760 119.070 -0.242 0.000 2.254 613 H HA -0.261 4.294 4.556 -0.001 0.000 0.294 613 H C 1.873 177.101 175.328 -0.166 0.000 1.071 613 H CA 2.580 58.430 56.048 -0.330 0.000 1.228 613 H CB -1.032 28.336 29.762 -0.656 0.000 1.358 613 H HN 0.574 nan 8.280 nan 0.000 0.495 614 W N 0.630 122.029 121.300 0.165 0.000 2.468 614 W HA -0.065 4.594 4.660 -0.001 0.000 0.262 614 W C 2.609 179.281 176.519 0.254 0.000 1.241 614 W CA 0.108 57.549 57.345 0.161 0.000 1.232 614 W CB -0.085 29.471 29.460 0.160 0.000 1.124 614 W HN 0.164 nan 8.180 nan 0.000 0.597 615 L N -0.817 120.626 121.223 0.366 0.000 2.084 615 L HA -0.103 4.236 4.340 -0.001 0.000 0.202 615 L C 2.211 179.356 176.870 0.458 0.000 1.074 615 L CA 0.988 56.033 54.840 0.341 0.000 0.757 615 L CB -0.728 41.393 42.059 0.103 0.000 0.918 615 L HN -0.060 nan 8.230 nan 0.000 0.444 616 I N -0.325 120.411 120.570 0.275 0.000 2.394 616 I HA -0.249 3.920 4.170 -0.001 0.000 0.251 616 I C 2.697 178.951 176.117 0.229 0.000 1.136 616 I CA 1.051 62.477 61.300 0.210 0.000 1.425 616 I CB -0.072 37.966 38.000 0.064 0.000 1.079 616 I HN 0.242 nan 8.210 nan 0.000 0.425 617 K N 1.077 121.643 120.400 0.276 0.000 1.965 617 K HA -0.163 4.156 4.320 -0.001 0.000 0.214 617 K C 0.984 177.713 176.600 0.214 0.000 1.042 617 K CA 1.396 57.850 56.287 0.279 0.000 0.950 617 K CB -0.084 32.675 32.500 0.431 0.000 0.733 617 K HN 0.160 nan 8.250 nan 0.000 0.441 618 E N 0.022 120.323 120.200 0.169 0.000 2.368 618 E HA 0.099 4.448 4.350 -0.001 0.000 0.283 618 E C -1.226 175.094 176.600 -0.466 0.000 1.476 618 E CA -0.178 56.167 56.400 -0.091 0.000 1.786 618 E CB 0.098 29.712 29.700 -0.144 0.000 1.518 618 E HN 0.192 nan 8.360 nan 0.000 0.456 619 Y N -1.814 118.574 120.300 0.147 0.000 2.840 619 Y HA 0.134 4.683 4.550 -0.001 0.000 0.324 619 Y C 0.285 176.268 175.900 0.139 0.000 1.378 619 Y CA -1.269 56.896 58.100 0.108 0.000 1.077 619 Y CB 0.821 39.318 38.460 0.061 0.000 1.361 619 Y HN -0.025 nan 8.280 nan 0.000 0.459 620 S N -0.220 115.687 115.700 0.346 0.000 2.584 620 S HA 0.119 4.588 4.470 -0.001 0.000 0.273 620 S C -0.079 174.619 174.600 0.163 0.000 1.311 620 S CA -0.621 57.706 58.200 0.211 0.000 1.034 620 S CB 0.816 64.112 63.200 0.160 0.000 0.939 620 S HN 0.581 nan 8.310 nan 0.000 0.513 621 D N 1.179 121.640 120.400 0.102 0.000 2.420 621 D HA -0.022 4.617 4.640 -0.001 0.000 0.233 621 D C 1.059 177.280 176.300 -0.133 0.000 1.017 621 D CA 0.700 54.713 54.000 0.021 0.000 0.951 621 D CB 0.019 40.903 40.800 0.140 0.000 0.877 621 D HN 0.635 nan 8.370 nan 0.000 0.528 622 E N -1.191 118.997 120.200 -0.020 0.000 2.332 622 E HA -0.052 4.298 4.350 -0.001 0.000 0.202 622 E C 1.722 178.352 176.600 0.050 0.000 0.877 622 E CA 0.034 56.416 56.400 -0.030 0.000 0.979 622 E CB -0.660 29.050 29.700 0.017 0.000 0.969 622 E HN 0.360 nan 8.360 nan 0.000 0.495 623 Y N 2.551 122.858 120.300 0.012 0.000 2.243 623 Y HA 0.081 4.631 4.550 -0.001 0.000 0.293 623 Y C 2.184 178.159 175.900 0.125 0.000 1.124 623 Y CA 1.731 59.890 58.100 0.098 0.000 1.159 623 Y CB -0.556 37.931 38.460 0.044 0.000 1.008 623 Y HN 0.036 nan 8.280 nan 0.000 0.527 624 G N 0.947 109.725 108.800 -0.036 0.000 2.587 624 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.217 624 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.217 624 G C 1.777 176.545 174.900 -0.220 0.000 1.240 624 G CA 1.232 46.237 45.100 -0.159 0.000 0.794 624 G HN 0.386 nan 8.290 nan 0.000 0.580 625 K N -0.632 119.619 120.400 -0.249 0.000 2.034 625 K HA -0.239 4.080 4.320 -0.001 0.000 0.214 625 K C 2.140 178.675 176.600 -0.109 0.000 1.051 625 K CA 1.938 58.088 56.287 -0.228 0.000 0.931 625 K CB -0.423 31.825 32.500 -0.421 0.000 0.715 625 K HN 0.461 nan 8.250 nan 0.000 0.446 626 W N 1.559 122.711 121.300 -0.246 0.000 2.289 626 W HA -0.322 4.338 4.660 -0.001 0.000 0.328 626 W C 2.024 178.361 176.519 -0.303 0.000 1.241 626 W CA 2.033 59.245 57.345 -0.222 0.000 1.221 626 W CB -1.109 28.247 29.460 -0.174 0.000 1.175 626 W HN 0.199 nan 8.180 nan 0.000 0.457 627 L N 0.785 121.583 121.223 -0.708 0.000 2.058 627 L HA -0.406 3.933 4.340 -0.001 0.000 0.226 627 L C 2.557 179.027 176.870 -0.667 0.000 1.089 627 L CA 3.264 57.500 54.840 -1.006 0.000 0.799 627 L CB -1.044 40.499 42.059 -0.861 0.000 0.900 627 L HN 0.161 nan 8.230 nan 0.000 0.442 628 M N -1.031 118.366 119.600 -0.337 0.000 2.065 628 M HA -0.222 4.257 4.480 -0.001 0.000 0.259 628 M C 1.891 178.134 176.300 -0.095 0.000 1.069 628 M CA 1.957 57.211 55.300 -0.076 0.000 1.110 628 M CB -1.330 31.214 32.600 -0.094 0.000 1.328 628 M HN 0.362 nan 8.290 nan 0.000 0.405 629 D N -0.464 119.814 120.400 -0.204 0.000 2.347 629 D HA -0.032 4.607 4.640 -0.001 0.000 0.215 629 D C 1.503 177.651 176.300 -0.253 0.000 0.976 629 D CA 0.672 54.575 54.000 -0.162 0.000 0.884 629 D CB -0.104 40.630 40.800 -0.109 0.000 0.915 629 D HN 0.410 nan 8.370 nan 0.000 0.526 630 N N -0.111 118.276 118.700 -0.522 0.000 2.503 630 N HA -0.003 4.736 4.740 -0.001 0.000 0.210 630 N C 1.717 176.644 175.510 -0.972 0.000 1.077 630 N CA -0.127 52.477 53.050 -0.742 0.000 0.855 630 N CB 0.426 38.248 38.487 -1.108 0.000 1.323 630 N HN 0.065 nan 8.380 nan 0.000 0.452 631 L N 1.102 121.610 121.223 -1.191 0.000 1.973 631 L HA 0.057 4.396 4.340 -0.001 0.000 0.208 631 L C 1.706 178.109 176.870 -0.778 0.000 1.073 631 L CA 1.762 55.797 54.840 -1.342 0.000 0.746 631 L CB -1.173 40.146 42.059 -1.233 0.000 0.891 631 L HN -0.048 nan 8.230 nan 0.000 0.433 632 F N -0.104 119.734 119.950 -0.186 0.000 2.202 632 F HA -0.143 4.383 4.527 -0.001 0.000 0.301 632 F C 2.597 178.552 175.800 0.258 0.000 1.082 632 F CA 1.312 59.488 58.000 0.292 0.000 1.313 632 F CB -0.663 38.255 39.000 -0.137 0.000 1.024 632 F HN 0.053 nan 8.300 nan 0.000 0.495 633 R N 0.125 120.718 120.500 0.154 0.000 2.293 633 R HA -0.077 4.262 4.340 -0.001 0.000 0.219 633 R C 1.884 178.222 176.300 0.063 0.000 1.091 633 R CA 0.363 56.542 56.100 0.133 0.000 1.004 633 R CB -0.334 29.971 30.300 0.009 0.000 0.865 633 R HN 0.188 nan 8.270 nan 0.000 0.469 634 V N -0.356 119.512 119.914 -0.078 0.000 2.256 634 V HA -0.183 3.936 4.120 -0.001 0.000 0.240 634 V C 1.576 177.676 176.094 0.009 0.000 1.036 634 V CA 1.683 63.912 62.300 -0.118 0.000 1.008 634 V CB -0.475 31.156 31.823 -0.320 0.000 0.648 634 V HN 0.219 nan 8.190 nan 0.000 0.453 635 F N 0.299 120.335 119.950 0.144 0.000 2.082 635 F HA -0.316 4.210 4.527 -0.001 0.000 0.298 635 F C 2.181 178.096 175.800 0.192 0.000 1.091 635 F CA 2.145 60.260 58.000 0.192 0.000 1.230 635 F CB -0.983 38.161 39.000 0.240 0.000 0.983 635 F HN 0.104 nan 8.300 nan 0.000 0.485 636 I N -0.278 120.496 120.570 0.340 0.000 2.069 636 I HA -0.335 3.834 4.170 -0.001 0.000 0.237 636 I C 2.520 178.719 176.117 0.136 0.000 1.053 636 I CA 1.558 62.955 61.300 0.162 0.000 1.311 636 I CB -0.500 37.563 38.000 0.107 0.000 1.030 636 I HN -0.039 nan 8.210 nan 0.000 0.398 637 R N 0.225 120.804 120.500 0.132 0.000 2.241 637 R HA -0.141 4.198 4.340 -0.001 0.000 0.224 637 R C 1.958 178.334 176.300 0.126 0.000 1.101 637 R CA 1.077 57.237 56.100 0.100 0.000 0.995 637 R CB -0.653 29.696 30.300 0.081 0.000 0.870 637 R HN 0.379 nan 8.270 nan 0.000 0.463 638 F N -0.551 119.431 119.950 0.054 0.000 2.128 638 F HA -0.107 4.419 4.527 -0.001 0.000 0.295 638 F C 1.722 177.564 175.800 0.071 0.000 1.100 638 F CA 1.122 59.157 58.000 0.058 0.000 1.260 638 F CB -0.243 38.793 39.000 0.061 0.000 1.009 638 F HN -0.199 nan 8.300 nan 0.000 0.476 639 V N 0.726 120.698 119.914 0.096 0.000 2.392 639 V HA -0.297 3.822 4.120 -0.001 0.000 0.249 639 V C 1.981 178.048 176.094 -0.045 0.000 1.059 639 V CA 2.125 64.424 62.300 -0.002 0.000 1.051 639 V CB -0.939 30.913 31.823 0.048 0.000 0.658 639 V HN 0.355 nan 8.190 nan 0.000 0.455 640 E N 0.457 120.645 120.200 -0.020 0.000 2.510 640 E HA -0.138 4.211 4.350 -0.001 0.000 0.202 640 E C 1.186 177.752 176.600 -0.057 0.000 1.072 640 E CA 0.987 57.376 56.400 -0.019 0.000 0.883 640 E CB -0.066 29.636 29.700 0.004 0.000 0.818 640 E HN 0.754 nan 8.360 nan 0.000 0.548 641 L N -3.421 117.714 121.223 -0.146 0.000 3.410 641 L HA 0.290 4.629 4.340 -0.001 0.000 0.309 641 L C 0.873 177.598 176.870 -0.242 0.000 1.254 641 L CA -0.099 54.641 54.840 -0.166 0.000 1.048 641 L CB 0.666 42.636 42.059 -0.147 0.000 1.442 641 L HN -0.242 nan 8.230 nan 0.000 0.615 642 Q N 0.766 120.423 119.800 -0.238 0.000 2.118 642 Q HA 0.406 4.745 4.340 -0.001 0.000 0.219 642 Q C 1.114 177.152 176.000 0.064 0.000 0.794 642 Q CA 0.484 56.191 55.803 -0.160 0.000 1.035 642 Q CB 1.516 30.057 28.738 -0.329 0.000 1.177 642 Q HN 0.583 nan 8.270 nan 0.000 0.478 643 G N 2.009 110.850 108.800 0.068 0.000 2.687 643 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.303 643 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.303 643 G C 0.032 175.092 174.900 0.266 0.000 1.209 643 G CA 0.122 45.303 45.100 0.136 0.000 0.968 643 G HN 0.424 nan 8.290 nan 0.000 0.549 644 F N -0.234 119.822 119.950 0.178 0.000 2.149 644 F HA 0.220 4.746 4.527 -0.001 0.000 0.497 644 F C 0.394 176.057 175.800 -0.228 0.000 1.282 644 F CA 2.394 60.494 58.000 0.166 0.000 1.585 644 F CB -0.435 38.667 39.000 0.169 0.000 2.847 644 F HN 1.774 nan 8.300 nan 0.000 0.683 645 T N 3.829 117.761 114.554 -1.036 0.000 2.684 645 T HA 0.598 4.947 4.350 -0.001 0.000 0.294 645 T C -1.783 172.340 174.700 -0.962 0.000 1.783 645 T CA -0.264 61.310 62.100 -0.876 0.000 0.963 645 T CB 1.094 69.470 68.868 -0.821 0.000 2.009 645 T HN 1.009 nan 8.240 nan 0.000 0.448 646 M N 2.376 121.608 119.600 -0.614 0.000 2.150 646 M HA 0.497 4.976 4.480 -0.001 0.000 0.255 646 M C -0.615 175.554 176.300 -0.219 0.000 0.963 646 M CA -0.624 54.459 55.300 -0.362 0.000 1.033 646 M CB 1.113 33.611 32.600 -0.169 0.000 2.007 646 M HN 0.452 nan 8.290 nan 0.000 0.462 647 R N 2.246 122.657 120.500 -0.148 0.000 2.738 647 R HA 0.173 4.512 4.340 -0.001 0.000 0.268 647 R C 0.741 177.046 176.300 0.009 0.000 1.062 647 R CA -0.056 56.026 56.100 -0.030 0.000 1.158 647 R CB 0.828 31.165 30.300 0.061 0.000 1.046 647 R HN 0.877 nan 8.270 nan 0.000 0.493 648 L N 1.806 123.037 121.223 0.015 0.000 2.102 648 L HA -0.048 4.291 4.340 -0.001 0.000 0.202 648 L C 1.887 178.784 176.870 0.045 0.000 1.076 648 L CA 1.107 55.964 54.840 0.028 0.000 0.761 648 L CB -0.130 41.942 42.059 0.023 0.000 0.921 648 L HN 0.648 nan 8.230 nan 0.000 0.444 649 E N 0.079 120.305 120.200 0.044 0.000 2.284 649 E HA -0.293 4.056 4.350 -0.001 0.000 0.200 649 E C 1.457 178.094 176.600 0.061 0.000 1.008 649 E CA 1.292 57.721 56.400 0.048 0.000 0.829 649 E CB -0.079 29.648 29.700 0.045 0.000 0.744 649 E HN 0.530 nan 8.360 nan 0.000 0.491 650 D N -0.336 120.110 120.400 0.078 0.000 2.203 650 D HA -0.157 4.482 4.640 -0.001 0.000 0.199 650 D C 1.648 178.004 176.300 0.094 0.000 0.997 650 D CA 0.855 54.916 54.000 0.102 0.000 0.863 650 D CB 0.065 40.947 40.800 0.135 0.000 0.928 650 D HN 0.087 nan 8.370 nan 0.000 0.458 651 V N -0.563 119.400 119.914 0.082 0.000 3.570 651 V HA 0.077 4.196 4.120 -0.001 0.000 0.257 651 V C 0.425 176.558 176.094 0.065 0.000 1.272 651 V CA 0.568 62.919 62.300 0.085 0.000 1.079 651 V CB 0.292 32.170 31.823 0.093 0.000 0.829 651 V HN 0.205 nan 8.190 nan 0.000 0.454 652 S N 0.350 116.083 115.700 0.054 0.000 2.576 652 S HA 0.410 4.879 4.470 -0.001 0.000 0.276 652 S C 0.321 174.937 174.600 0.026 0.000 1.339 652 S CA -0.251 57.973 58.200 0.040 0.000 1.039 652 S CB 1.169 64.392 63.200 0.039 0.000 0.902 652 S HN 0.354 nan 8.310 nan 0.000 0.516 653 L N 2.681 123.908 121.223 0.007 0.000 2.568 653 L HA 0.747 5.087 4.340 -0.001 0.000 0.187 653 L C 1.463 178.320 176.870 -0.021 0.000 1.489 653 L CA 0.116 54.946 54.840 -0.017 0.000 3.061 653 L CB -0.751 41.276 42.059 -0.053 0.000 2.895 653 L HN 1.057 nan 8.230 nan 0.000 0.999 654 G N -1.429 107.342 108.800 -0.049 0.000 2.331 654 G HA2 0.034 3.993 3.960 -0.001 0.000 0.479 654 G HA3 0.034 3.993 3.960 -0.001 0.000 0.479 654 G C -1.120 173.750 174.900 -0.051 0.000 1.262 654 G CA -0.209 44.875 45.100 -0.027 0.000 1.029 654 G HN 0.468 nan 8.290 nan 0.000 0.487 655 D N -1.063 119.326 120.400 -0.018 0.000 3.417 655 D HA -0.186 4.453 4.640 -0.001 0.000 0.163 655 D C 1.185 177.460 176.300 -0.041 0.000 1.070 655 D CA 1.577 55.564 54.000 -0.022 0.000 1.047 655 D CB -0.881 39.904 40.800 -0.025 0.000 0.514 655 D HN 0.588 nan 8.370 nan 0.000 0.532 656 D N 0.087 120.441 120.400 -0.076 0.000 2.323 656 D HA -0.004 4.635 4.640 -0.001 0.000 0.209 656 D C 2.193 178.369 176.300 -0.206 0.000 0.973 656 D CA 0.741 54.685 54.000 -0.094 0.000 0.874 656 D CB 0.117 40.878 40.800 -0.064 0.000 0.930 656 D HN 0.171 nan 8.370 nan 0.000 0.521 657 V N 1.627 121.330 119.914 -0.351 0.000 2.332 657 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 657 V C 2.396 178.323 176.094 -0.278 0.000 1.055 657 V CA 1.457 63.453 62.300 -0.507 0.000 1.038 657 V CB -0.551 30.935 31.823 -0.563 0.000 0.651 657 V HN 0.114 nan 8.190 nan 0.000 0.450 658 K N 0.222 120.511 120.400 -0.186 0.000 2.097 658 K HA -0.173 4.146 4.320 -0.001 0.000 0.206 658 K C 2.270 178.806 176.600 -0.106 0.000 1.049 658 K CA 1.421 57.596 56.287 -0.185 0.000 0.933 658 K CB -0.194 32.277 32.500 -0.047 0.000 0.717 658 K HN 0.478 nan 8.250 nan 0.000 0.442 659 K N 0.755 121.162 120.400 0.012 0.000 2.097 659 K HA -0.128 4.191 4.320 -0.001 0.000 0.205 659 K C 1.853 178.468 176.600 0.024 0.000 1.050 659 K CA 1.025 57.362 56.287 0.085 0.000 0.938 659 K CB 0.045 32.570 32.500 0.042 0.000 0.718 659 K HN 0.185 nan 8.250 nan 0.000 0.442 660 E N 0.462 120.630 120.200 -0.054 0.000 2.347 660 E HA -0.072 4.277 4.350 -0.001 0.000 0.196 660 E C 1.704 178.278 176.600 -0.043 0.000 1.008 660 E CA 0.556 56.929 56.400 -0.044 0.000 0.852 660 E CB 0.176 29.838 29.700 -0.064 0.000 0.783 660 E HN 0.307 nan 8.360 nan 0.000 0.505 661 I N -0.797 119.718 120.570 -0.093 0.000 2.810 661 I HA -0.140 4.029 4.170 -0.001 0.000 0.262 661 I C 1.487 177.554 176.117 -0.083 0.000 1.131 661 I CA 0.348 61.581 61.300 -0.111 0.000 1.453 661 I CB -0.052 37.835 38.000 -0.188 0.000 1.161 661 I HN 0.117 nan 8.210 nan 0.000 0.444 662 Y N 0.724 120.990 120.300 -0.056 0.000 2.483 662 Y HA -0.230 4.319 4.550 -0.001 0.000 0.291 662 Y C 2.192 178.046 175.900 -0.076 0.000 1.143 662 Y CA 0.716 58.769 58.100 -0.078 0.000 1.289 662 Y CB -0.188 38.231 38.460 -0.068 0.000 0.983 662 Y HN 0.239 nan 8.280 nan 0.000 0.556 663 N N -0.053 118.698 118.700 0.085 0.000 2.392 663 N HA -0.097 4.642 4.740 -0.001 0.000 0.177 663 N C 1.447 176.964 175.510 0.013 0.000 1.066 663 N CA 0.666 53.737 53.050 0.036 0.000 0.895 663 N CB 0.180 38.682 38.487 0.025 0.000 0.988 663 N HN 0.279 nan 8.380 nan 0.000 0.457 664 E N -0.224 119.981 120.200 0.008 0.000 2.372 664 E HA 0.116 4.465 4.350 -0.001 0.000 0.201 664 E C 1.761 178.360 176.600 -0.001 0.000 0.938 664 E CA 0.295 56.699 56.400 0.006 0.000 0.944 664 E CB -0.112 29.596 29.700 0.013 0.000 0.937 664 E HN 0.478 nan 8.360 nan 0.000 0.495 665 I N -0.223 120.331 120.570 -0.028 0.000 2.286 665 I HA -0.055 4.114 4.170 -0.001 0.000 0.245 665 I C 1.491 177.527 176.117 -0.135 0.000 1.104 665 I CA 1.589 62.831 61.300 -0.096 0.000 1.397 665 I CB -0.602 37.248 38.000 -0.249 0.000 1.072 665 I HN -0.069 nan 8.210 nan 0.000 0.417 666 D N 0.911 121.247 120.400 -0.108 0.000 2.264 666 D HA -0.234 4.406 4.640 -0.001 0.000 0.208 666 D C 2.198 178.465 176.300 -0.055 0.000 0.966 666 D CA 1.057 55.001 54.000 -0.093 0.000 0.864 666 D CB -0.561 40.197 40.800 -0.069 0.000 0.933 666 D HN 0.448 nan 8.370 nan 0.000 0.499 667 R N -0.091 120.389 120.500 -0.034 0.000 2.127 667 R HA 0.209 4.549 4.340 -0.001 0.000 0.217 667 R C 1.988 178.281 176.300 -0.011 0.000 1.074 667 R CA 0.889 56.980 56.100 -0.016 0.000 0.991 667 R CB 0.015 30.312 30.300 -0.003 0.000 0.895 667 R HN 0.251 nan 8.270 nan 0.000 0.450 668 A N 0.854 123.667 122.820 -0.012 0.000 1.935 668 A HA -0.043 4.276 4.320 -0.001 0.000 0.214 668 A C 1.814 179.392 177.584 -0.009 0.000 1.178 668 A CA 0.772 52.815 52.037 0.009 0.000 0.640 668 A CB -0.035 18.993 19.000 0.047 0.000 0.825 668 A HN 0.186 nan 8.150 nan 0.000 0.447 669 K N 0.254 120.628 120.400 -0.044 0.000 2.057 669 K HA -0.138 4.181 4.320 -0.001 0.000 0.207 669 K C 1.941 178.522 176.600 -0.031 0.000 1.049 669 K CA 1.651 57.908 56.287 -0.051 0.000 0.931 669 K CB -0.646 31.802 32.500 -0.085 0.000 0.714 669 K HN 0.499 nan 8.250 nan 0.000 0.440 670 V N -0.220 119.676 119.914 -0.029 0.000 2.324 670 V HA -0.315 3.805 4.120 -0.001 0.000 0.250 670 V C 2.037 178.125 176.094 -0.010 0.000 1.060 670 V CA 2.156 64.445 62.300 -0.019 0.000 1.042 670 V CB -0.657 31.156 31.823 -0.018 0.000 0.650 670 V HN 0.291 nan 8.190 nan 0.000 0.450 671 E N -0.005 120.192 120.200 -0.005 0.000 2.118 671 E HA -0.151 4.198 4.350 -0.001 0.000 0.195 671 E C 2.020 178.623 176.600 0.004 0.000 0.992 671 E CA 1.884 58.284 56.400 0.000 0.000 0.804 671 E CB -0.054 29.651 29.700 0.008 0.000 0.741 671 E HN 0.630 nan 8.360 nan 0.000 0.458 672 V N 0.711 120.628 119.914 0.004 0.000 2.300 672 V HA -0.178 3.941 4.120 -0.001 0.000 0.241 672 V C 1.664 177.763 176.094 0.008 0.000 1.034 672 V CA 1.720 64.026 62.300 0.009 0.000 1.021 672 V CB -0.561 31.263 31.823 0.000 0.000 0.662 672 V HN 0.201 nan 8.190 nan 0.000 0.458 673 D N 1.275 121.674 120.400 -0.002 0.000 2.200 673 D HA -0.251 4.388 4.640 -0.001 0.000 0.192 673 D C 1.826 178.134 176.300 0.014 0.000 1.008 673 D CA 2.161 56.162 54.000 0.002 0.000 0.872 673 D CB -0.379 40.417 40.800 -0.007 0.000 0.923 673 D HN 0.753 nan 8.370 nan 0.000 0.447 674 N N -0.252 118.454 118.700 0.010 0.000 2.416 674 N HA -0.038 4.701 4.740 -0.001 0.000 0.177 674 N C 1.758 177.282 175.510 0.023 0.000 1.036 674 N CA 0.282 53.340 53.050 0.013 0.000 0.901 674 N CB -0.646 37.842 38.487 0.003 0.000 0.976 674 N HN 0.205 nan 8.380 nan 0.000 0.444 675 L N -0.030 121.207 121.223 0.024 0.000 2.141 675 L HA -0.020 4.319 4.340 -0.001 0.000 0.209 675 L C 1.569 178.485 176.870 0.078 0.000 1.094 675 L CA 0.724 55.586 54.840 0.036 0.000 0.763 675 L CB -0.164 41.918 42.059 0.038 0.000 0.908 675 L HN 0.202 nan 8.230 nan 0.000 0.437 676 I N -0.721 119.895 120.570 0.076 0.000 2.286 676 I HA -0.256 3.913 4.170 -0.001 0.000 0.245 676 I C 2.368 178.561 176.117 0.128 0.000 1.104 676 I CA 1.268 62.637 61.300 0.114 0.000 1.397 676 I CB -1.280 36.770 38.000 0.084 0.000 1.072 676 I HN 0.385 nan 8.210 nan 0.000 0.417 677 Q N 0.639 120.484 119.800 0.075 0.000 2.297 677 Q HA -0.184 4.155 4.340 -0.001 0.000 0.208 677 Q C 2.010 178.042 176.000 0.054 0.000 0.981 677 Q CA 1.085 56.919 55.803 0.053 0.000 0.876 677 Q CB -0.048 28.707 28.738 0.028 0.000 0.921 677 Q HN 0.507 nan 8.270 nan 0.000 0.446 678 K N -0.691 119.754 120.400 0.075 0.000 2.243 678 K HA -0.101 4.218 4.320 -0.001 0.000 0.201 678 K C 1.628 178.302 176.600 0.122 0.000 1.051 678 K CA 0.575 56.906 56.287 0.073 0.000 0.970 678 K CB 0.086 32.620 32.500 0.056 0.000 0.755 678 K HN 0.183 nan 8.250 nan 0.000 0.465 679 Y N 2.097 122.416 120.300 0.032 0.000 2.176 679 Y HA -0.090 4.459 4.550 -0.001 0.000 0.291 679 Y C 1.836 177.748 175.900 0.021 0.000 1.122 679 Y CA 1.448 59.571 58.100 0.038 0.000 1.128 679 Y CB 0.134 38.625 38.460 0.051 0.000 1.005 679 Y HN -0.200 nan 8.280 nan 0.000 0.509 680 K N 0.055 120.464 120.400 0.014 0.000 2.147 680 K HA -0.114 4.206 4.320 -0.001 0.000 0.205 680 K C 0.332 176.873 176.600 -0.097 0.000 1.049 680 K CA 1.238 57.477 56.287 -0.079 0.000 0.936 680 K CB -0.172 32.336 32.500 0.012 0.000 0.722 680 K HN 0.315 nan 8.250 nan 0.000 0.446 681 N N 1.094 119.763 118.700 -0.051 0.000 2.758 681 N HA 0.047 4.786 4.740 -0.001 0.000 0.293 681 N C -0.288 175.192 175.510 -0.051 0.000 1.273 681 N CA 0.147 53.169 53.050 -0.046 0.000 1.022 681 N CB 0.790 39.266 38.487 -0.019 0.000 1.334 681 N HN 0.182 nan 8.380 nan 0.000 0.519 682 G N 1.113 109.855 108.800 -0.096 0.000 2.180 682 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.259 682 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.259 682 G C 0.715 175.597 174.900 -0.030 0.000 0.806 682 G CA 0.733 45.783 45.100 -0.083 0.000 1.131 682 G HN 0.502 nan 8.290 nan 0.000 0.411 683 E N -0.691 119.508 120.200 -0.003 0.000 2.444 683 E HA 0.203 4.552 4.350 -0.001 0.000 0.203 683 E C 1.339 177.960 176.600 0.035 0.000 0.847 683 E CA -0.588 55.820 56.400 0.013 0.000 1.142 683 E CB 0.289 29.995 29.700 0.010 0.000 1.125 683 E HN 0.432 nan 8.360 nan 0.000 0.521 684 L N 2.580 123.846 121.223 0.071 0.000 2.426 684 L HA 0.052 4.391 4.340 -0.001 0.000 0.271 684 L C 0.247 177.186 176.870 0.114 0.000 1.169 684 L CA 0.046 54.938 54.840 0.087 0.000 0.836 684 L CB 0.577 42.720 42.059 0.140 0.000 1.112 684 L HN 0.085 nan 8.230 nan 0.000 0.465 685 E N 4.618 124.877 120.200 0.097 0.000 2.283 685 E HA 0.334 4.683 4.350 -0.001 0.000 0.271 685 E C -2.043 174.679 176.600 0.202 0.000 1.031 685 E CA -1.451 55.018 56.400 0.115 0.000 0.868 685 E CB 1.234 30.978 29.700 0.073 0.000 1.094 685 E HN 0.433 nan 8.360 nan 0.000 0.401 686 P HA 0.397 nan 4.420 nan 0.000 0.345 686 P C -0.342 177.046 177.300 0.148 0.000 1.344 686 P CA -0.285 62.909 63.100 0.157 0.000 0.803 686 P CB 0.623 32.375 31.700 0.087 0.000 1.876 687 I N -1.386 119.215 120.570 0.052 0.000 2.497 687 I HA 0.279 4.448 4.170 -0.001 0.000 0.284 687 I C -2.495 173.633 176.117 0.018 0.000 1.060 687 I CA -2.645 58.678 61.300 0.039 0.000 1.071 687 I CB 1.633 39.634 38.000 0.001 0.000 1.216 687 I HN 0.068 nan 8.210 nan 0.000 0.442 688 P HA -0.045 nan 4.420 nan 0.000 0.238 688 P C 0.939 178.245 177.300 0.011 0.000 1.090 688 P CA 1.263 64.376 63.100 0.021 0.000 0.944 688 P CB 0.199 31.912 31.700 0.021 0.000 0.881 689 G N 3.232 112.036 108.800 0.008 0.000 2.697 689 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.200 689 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.200 689 G C 0.069 174.966 174.900 -0.005 0.000 1.106 689 G CA -0.666 44.435 45.100 0.002 0.000 0.748 689 G HN 0.475 nan 8.290 nan 0.000 0.503 690 R N 2.505 122.995 120.500 -0.017 0.000 2.340 690 R HA 0.537 4.876 4.340 -0.001 0.000 0.300 690 R C 0.261 176.541 176.300 -0.033 0.000 1.069 690 R CA -0.001 56.078 56.100 -0.035 0.000 0.984 690 R CB 0.174 30.436 30.300 -0.064 0.000 1.003 690 R HN 0.399 nan 8.270 nan 0.000 0.459 691 T N 3.538 118.076 114.554 -0.027 0.000 2.900 691 T HA 0.060 4.409 4.350 -0.001 0.000 0.307 691 T C 1.973 176.667 174.700 -0.009 0.000 1.065 691 T CA -0.580 61.518 62.100 -0.003 0.000 1.105 691 T CB 0.520 69.392 68.868 0.006 0.000 0.979 691 T HN 0.320 nan 8.240 nan 0.000 0.544 692 L N 1.662 122.915 121.223 0.050 0.000 1.991 692 L HA -0.230 4.109 4.340 -0.001 0.000 0.221 692 L C 2.539 179.393 176.870 -0.026 0.000 1.079 692 L CA 1.917 56.819 54.840 0.105 0.000 0.778 692 L CB -1.167 41.059 42.059 0.279 0.000 0.893 692 L HN 0.707 nan 8.230 nan 0.000 0.437 693 E N -0.386 119.779 120.200 -0.059 0.000 2.110 693 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 693 E C 2.127 178.612 176.600 -0.191 0.000 0.988 693 E CA 1.229 57.484 56.400 -0.242 0.000 0.804 693 E CB -0.255 29.393 29.700 -0.086 0.000 0.745 693 E HN 0.552 nan 8.360 nan 0.000 0.458 694 E N 0.666 120.794 120.200 -0.120 0.000 2.007 694 E HA -0.185 4.164 4.350 -0.001 0.000 0.194 694 E C 2.323 178.806 176.600 -0.196 0.000 0.999 694 E CA 1.670 57.995 56.400 -0.124 0.000 0.811 694 E CB -0.087 29.559 29.700 -0.091 0.000 0.762 694 E HN 0.265 nan 8.360 nan 0.000 0.450 695 S N 1.646 117.205 115.700 -0.235 0.000 2.382 695 S HA -0.135 4.334 4.470 -0.001 0.000 0.228 695 S C 2.058 176.286 174.600 -0.620 0.000 1.027 695 S CA 0.639 58.565 58.200 -0.456 0.000 0.991 695 S CB -0.401 62.579 63.200 -0.368 0.000 0.823 695 S HN 0.209 nan 8.310 nan 0.000 0.469 696 L N 1.661 122.725 121.223 -0.265 0.000 2.079 696 L HA -0.109 4.230 4.340 -0.001 0.000 0.210 696 L C 2.419 179.237 176.870 -0.086 0.000 1.081 696 L CA 2.073 56.866 54.840 -0.077 0.000 0.752 696 L CB -0.933 40.971 42.059 -0.258 0.000 0.896 696 L HN 0.341 nan 8.230 nan 0.000 0.433 697 E N 0.140 120.244 120.200 -0.160 0.000 2.046 697 E HA -0.173 4.176 4.350 -0.001 0.000 0.190 697 E C 1.842 178.385 176.600 -0.095 0.000 0.982 697 E CA 0.984 57.322 56.400 -0.103 0.000 0.800 697 E CB -0.228 29.411 29.700 -0.101 0.000 0.756 697 E HN 0.569 nan 8.360 nan 0.000 0.449 698 N N 0.913 119.506 118.700 -0.179 0.000 2.049 698 N HA -0.221 4.518 4.740 -0.001 0.000 0.198 698 N C 1.867 177.335 175.510 -0.070 0.000 1.030 698 N CA 1.472 54.419 53.050 -0.172 0.000 0.870 698 N CB -0.999 37.312 38.487 -0.294 0.000 1.045 698 N HN 0.371 nan 8.380 nan 0.000 0.434 699 Y N 0.660 120.952 120.300 -0.013 0.000 2.114 699 Y HA -0.181 4.368 4.550 -0.001 0.000 0.282 699 Y C 2.239 178.140 175.900 0.001 0.000 1.165 699 Y CA 0.320 58.418 58.100 -0.003 0.000 1.148 699 Y CB -0.186 38.272 38.460 -0.003 0.000 0.972 699 Y HN 0.053 nan 8.280 nan 0.000 0.504 700 I N -0.028 120.628 120.570 0.144 0.000 2.179 700 I HA -0.280 3.889 4.170 -0.001 0.000 0.242 700 I C 2.349 178.511 176.117 0.075 0.000 1.088 700 I CA 1.409 62.761 61.300 0.086 0.000 1.357 700 I CB -1.388 36.637 38.000 0.041 0.000 1.051 700 I HN 0.338 nan 8.210 nan 0.000 0.409 701 L N 0.598 121.849 121.223 0.045 0.000 1.978 701 L HA -0.302 4.037 4.340 -0.001 0.000 0.218 701 L C 2.320 179.220 176.870 0.049 0.000 1.075 701 L CA 1.894 56.753 54.840 0.032 0.000 0.767 701 L CB -0.663 41.394 42.059 -0.002 0.000 0.890 701 L HN 0.204 nan 8.230 nan 0.000 0.434 702 D N -0.813 119.623 120.400 0.061 0.000 2.103 702 D HA -0.195 4.444 4.640 -0.001 0.000 0.190 702 D C 2.091 178.437 176.300 0.077 0.000 0.997 702 D CA 2.014 56.056 54.000 0.069 0.000 0.833 702 D CB -0.308 40.553 40.800 0.102 0.000 0.961 702 D HN 0.266 nan 8.370 nan 0.000 0.447 703 T N 0.501 115.111 114.554 0.092 0.000 2.685 703 T HA -0.175 4.174 4.350 -0.001 0.000 0.268 703 T C 2.081 176.849 174.700 0.113 0.000 1.034 703 T CA 0.951 63.104 62.100 0.089 0.000 1.149 703 T CB -0.378 68.539 68.868 0.083 0.000 0.860 703 T HN 0.118 nan 8.240 nan 0.000 0.449 704 L N 0.566 121.875 121.223 0.143 0.000 2.034 704 L HA -0.023 4.316 4.340 -0.001 0.000 0.203 704 L C 2.591 179.537 176.870 0.126 0.000 1.074 704 L CA 1.099 56.086 54.840 0.245 0.000 0.748 704 L CB -0.611 41.672 42.059 0.373 0.000 0.905 704 L HN 0.060 nan 8.230 nan 0.000 0.439 705 D N 0.427 120.852 120.400 0.042 0.000 2.239 705 D HA -0.196 4.443 4.640 -0.001 0.000 0.202 705 D C 2.103 178.411 176.300 0.013 0.000 0.993 705 D CA 1.353 55.347 54.000 -0.009 0.000 0.874 705 D CB 0.083 40.877 40.800 -0.010 0.000 0.922 705 D HN 0.292 nan 8.370 nan 0.000 0.464 706 K N -0.692 119.735 120.400 0.044 0.000 2.202 706 K HA 0.176 4.495 4.320 -0.001 0.000 0.201 706 K C 1.330 177.967 176.600 0.062 0.000 1.051 706 K CA 0.182 56.496 56.287 0.046 0.000 0.977 706 K CB 0.324 32.852 32.500 0.046 0.000 0.792 706 K HN 0.053 nan 8.250 nan 0.000 0.469 707 L N 1.768 123.049 121.223 0.096 0.000 2.805 707 L HA 0.185 4.525 4.340 -0.001 0.000 0.237 707 L C 1.385 178.358 176.870 0.172 0.000 1.252 707 L CA -0.008 54.906 54.840 0.123 0.000 1.064 707 L CB -0.145 41.992 42.059 0.131 0.000 1.361 707 L HN 0.178 nan 8.230 nan 0.000 0.474 708 R N -2.366 118.194 120.500 0.101 0.000 2.561 708 R HA 0.055 4.394 4.340 -0.001 0.000 0.213 708 R C 1.904 178.215 176.300 0.020 0.000 0.885 708 R CA 0.813 56.944 56.100 0.051 0.000 1.002 708 R CB -0.376 29.872 30.300 -0.086 0.000 1.432 708 R HN 0.116 nan 8.270 nan 0.000 0.651 709 S N -0.135 115.577 115.700 0.020 0.000 2.414 709 S HA -0.026 4.443 4.470 -0.001 0.000 0.227 709 S C 1.475 176.098 174.600 0.038 0.000 1.022 709 S CA 1.143 59.356 58.200 0.023 0.000 0.958 709 S CB -0.269 62.941 63.200 0.017 0.000 0.797 709 S HN 0.316 nan 8.310 nan 0.000 0.493 710 T N 2.465 117.046 114.554 0.045 0.000 2.962 710 T HA 0.191 4.540 4.350 -0.001 0.000 0.270 710 T C 2.052 176.781 174.700 0.048 0.000 1.088 710 T CA 1.048 63.176 62.100 0.048 0.000 1.127 710 T CB -0.508 68.390 68.868 0.050 0.000 0.883 710 T HN 0.610 nan 8.240 nan 0.000 0.493 711 A N 1.322 124.172 122.820 0.049 0.000 1.968 711 A HA 0.234 4.553 4.320 -0.001 0.000 0.217 711 A C 2.561 180.166 177.584 0.036 0.000 1.169 711 A CA 1.485 53.545 52.037 0.038 0.000 0.638 711 A CB -1.096 17.931 19.000 0.046 0.000 0.812 711 A HN 0.496 nan 8.150 nan 0.000 0.446 712 G N -0.091 108.735 108.800 0.044 0.000 2.394 712 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.214 712 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.214 712 G C 1.051 175.998 174.900 0.079 0.000 1.176 712 G CA 1.051 46.188 45.100 0.060 0.000 0.786 712 G HN 0.425 nan 8.290 nan 0.000 0.533 713 D N 0.750 121.192 120.400 0.071 0.000 2.221 713 D HA -0.107 4.532 4.640 -0.001 0.000 0.204 713 D C 2.444 178.797 176.300 0.089 0.000 0.982 713 D CA 0.422 54.468 54.000 0.078 0.000 0.857 713 D CB -0.003 40.835 40.800 0.063 0.000 0.934 713 D HN 0.218 nan 8.370 nan 0.000 0.475 714 I N 0.991 121.610 120.570 0.082 0.000 2.233 714 I HA -0.140 4.029 4.170 -0.001 0.000 0.243 714 I C 2.500 178.691 176.117 0.124 0.000 1.093 714 I CA 0.625 61.987 61.300 0.102 0.000 1.380 714 I CB -1.401 36.624 38.000 0.042 0.000 1.067 714 I HN -0.105 nan 8.210 nan 0.000 0.413 715 A N 1.348 124.214 122.820 0.076 0.000 1.877 715 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 715 A C 2.422 180.038 177.584 0.052 0.000 1.186 715 A CA 2.359 54.434 52.037 0.062 0.000 0.620 715 A CB -0.997 18.037 19.000 0.057 0.000 0.822 715 A HN 0.543 nan 8.150 nan 0.000 0.443 716 S N -0.366 115.382 115.700 0.080 0.000 2.507 716 S HA -0.065 4.404 4.470 -0.001 0.000 0.235 716 S C 1.520 176.092 174.600 -0.045 0.000 0.988 716 S CA 1.386 59.613 58.200 0.045 0.000 0.944 716 S CB -0.126 63.248 63.200 0.290 0.000 0.762 716 S HN 0.626 nan 8.310 nan 0.000 0.526 717 K N -0.571 119.847 120.400 0.031 0.000 2.323 717 K HA 0.209 4.528 4.320 -0.001 0.000 0.197 717 K C 0.825 177.349 176.600 -0.128 0.000 1.043 717 K CA 0.488 56.761 56.287 -0.024 0.000 0.997 717 K CB 0.060 32.570 32.500 0.016 0.000 0.807 717 K HN 0.397 nan 8.250 nan 0.000 0.497 718 Y N -0.202 120.047 120.300 -0.085 0.000 2.498 718 Y HA 0.165 4.714 4.550 -0.001 0.000 0.259 718 Y C 0.301 176.132 175.900 -0.115 0.000 1.086 718 Y CA -0.498 57.556 58.100 -0.077 0.000 1.287 718 Y CB 0.518 38.949 38.460 -0.049 0.000 1.146 718 Y HN -0.125 nan 8.280 nan 0.000 0.523 719 L N 3.417 124.607 121.223 -0.055 0.000 2.454 719 L HA 0.088 4.427 4.340 -0.001 0.000 0.284 719 L C -0.063 176.613 176.870 -0.324 0.000 1.139 719 L CA -0.593 54.136 54.840 -0.186 0.000 0.911 719 L CB -0.551 41.352 42.059 -0.260 0.000 1.262 719 L HN 0.149 nan 8.230 nan 0.000 0.453 720 D N 5.744 126.070 120.400 -0.122 0.000 2.479 720 D HA -0.077 4.563 4.640 -0.001 0.000 0.257 720 D C -1.921 174.418 176.300 0.064 0.000 1.230 720 D CA -1.377 52.603 54.000 -0.033 0.000 0.912 720 D CB 0.631 41.446 40.800 0.025 0.000 1.130 720 D HN 0.318 nan 8.370 nan 0.000 0.515 721 P HA -0.108 nan 4.420 nan 0.000 0.245 721 P C -0.110 177.413 177.300 0.372 0.000 1.203 721 P CA 0.801 64.179 63.100 0.464 0.000 0.754 721 P CB -0.258 31.697 31.700 0.426 0.000 0.896 722 F N -1.927 118.090 119.950 0.112 0.000 2.729 722 F HA 0.146 4.672 4.527 -0.001 0.000 0.315 722 F C 1.154 176.919 175.800 -0.058 0.000 1.102 722 F CA -0.842 57.181 58.000 0.038 0.000 1.204 722 F CB -0.070 38.931 39.000 0.002 0.000 1.052 722 F HN -0.093 nan 8.300 nan 0.000 0.551 723 N N -0.013 118.764 118.700 0.129 0.000 2.479 723 N HA 0.030 4.769 4.740 -0.001 0.000 0.285 723 N C 1.004 176.534 175.510 0.034 0.000 1.075 723 N CA -0.250 52.817 53.050 0.029 0.000 0.967 723 N CB 0.863 39.410 38.487 0.100 0.000 1.137 723 N HN 0.003 nan 8.380 nan 0.000 0.472 724 F N 2.259 122.200 119.950 -0.015 0.000 2.050 724 F HA -0.350 4.176 4.527 -0.001 0.000 0.294 724 F C 2.656 178.444 175.800 -0.019 0.000 1.113 724 F CA 2.672 60.575 58.000 -0.163 0.000 1.225 724 F CB -0.817 37.948 39.000 -0.392 0.000 0.953 724 F HN 0.729 nan 8.300 nan 0.000 0.501 725 A N -1.828 121.125 122.820 0.222 0.000 1.978 725 A HA -0.267 4.053 4.320 -0.001 0.000 0.220 725 A C 1.968 179.680 177.584 0.213 0.000 1.170 725 A CA 1.793 53.942 52.037 0.187 0.000 0.636 725 A CB -1.197 17.902 19.000 0.165 0.000 0.810 725 A HN 0.600 nan 8.150 nan 0.000 0.448 726 Y N -1.303 119.055 120.300 0.096 0.000 2.497 726 Y HA 0.127 4.676 4.550 -0.001 0.000 0.265 726 Y C 2.151 178.101 175.900 0.084 0.000 1.111 726 Y CA 0.616 58.766 58.100 0.083 0.000 1.288 726 Y CB 0.375 38.882 38.460 0.078 0.000 1.082 726 Y HN 0.081 nan 8.280 nan 0.000 0.536 727 V N 0.140 120.172 119.914 0.197 0.000 2.229 727 V HA -0.362 3.757 4.120 -0.001 0.000 0.243 727 V C 2.253 178.469 176.094 0.203 0.000 1.042 727 V CA 2.318 64.731 62.300 0.189 0.000 1.000 727 V CB -0.528 31.417 31.823 0.204 0.000 0.637 727 V HN 0.401 nan 8.190 nan 0.000 0.446 728 M N -0.342 119.425 119.600 0.278 0.000 2.146 728 M HA -0.181 4.299 4.480 -0.001 0.000 0.256 728 M C 1.024 177.389 176.300 0.108 0.000 1.075 728 M CA 1.786 57.244 55.300 0.262 0.000 1.082 728 M CB -0.360 32.410 32.600 0.283 0.000 1.355 728 M HN 0.436 nan 8.290 nan 0.000 0.402 729 A N -0.594 122.241 122.820 0.025 0.000 2.293 729 A HA 0.478 4.798 4.320 -0.001 0.000 0.302 729 A C 0.777 178.273 177.584 -0.147 0.000 1.119 729 A CA -0.395 51.599 52.037 -0.072 0.000 0.823 729 A CB 0.567 19.495 19.000 -0.120 0.000 1.097 729 A HN 0.580 nan 8.150 nan 0.000 0.491 730 R N -0.770 119.643 120.500 -0.144 0.000 3.870 730 R HA -0.190 4.150 4.340 -0.001 0.000 0.463 730 R C 1.219 177.440 176.300 -0.132 0.000 0.790 730 R CA 1.783 57.791 56.100 -0.153 0.000 1.576 730 R CB -2.043 28.119 30.300 -0.229 0.000 2.233 730 R HN 0.761 nan 8.270 nan 0.000 0.463 731 T N -1.132 113.361 114.554 -0.100 0.000 3.065 731 T HA 0.287 4.636 4.350 -0.001 0.000 0.252 731 T C 1.357 176.000 174.700 -0.096 0.000 1.099 731 T CA 1.944 63.957 62.100 -0.146 0.000 1.063 731 T CB 0.291 69.145 68.868 -0.023 0.000 0.948 731 T HN 0.703 nan 8.240 nan 0.000 0.506 732 G N 0.495 109.262 108.800 -0.056 0.000 2.611 732 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.208 732 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.208 732 G C 1.404 176.297 174.900 -0.012 0.000 1.201 732 G CA 0.570 45.645 45.100 -0.043 0.000 0.739 732 G HN 0.871 nan 8.290 nan 0.000 0.528 733 A N 0.592 123.419 122.820 0.013 0.000 2.018 733 A HA 0.063 4.382 4.320 -0.001 0.000 0.250 733 A C 1.384 178.991 177.584 0.037 0.000 2.130 733 A CA 3.438 55.497 52.037 0.036 0.000 0.912 733 A CB -0.439 18.611 19.000 0.083 0.000 0.799 733 A HN 1.806 nan 8.150 nan 0.000 0.504 734 R N -2.738 117.796 120.500 0.056 0.000 2.604 734 R HA 0.526 4.865 4.340 -0.001 0.000 0.270 734 R C -0.530 175.795 176.300 0.041 0.000 1.052 734 R CA 0.673 56.798 56.100 0.042 0.000 0.902 734 R CB 1.641 31.974 30.300 0.054 0.000 1.233 734 R HN 2.095 nan 8.270 nan 0.000 0.455 735 G N 0.862 109.674 108.800 0.019 0.000 2.592 735 G HA2 0.232 4.191 3.960 -0.001 0.000 0.685 735 G HA3 0.232 4.191 3.960 -0.001 0.000 0.685 735 G C -1.480 173.414 174.900 -0.009 0.000 1.278 735 G CA -0.326 44.782 45.100 0.014 0.000 0.822 735 G HN 0.924 nan 8.290 nan 0.000 0.652 736 S N -0.039 115.657 115.700 -0.007 0.000 2.547 736 S HA 0.683 5.152 4.470 -0.001 0.000 0.281 736 S C 1.615 176.211 174.600 -0.007 0.000 1.118 736 S CA 0.554 58.744 58.200 -0.017 0.000 0.947 736 S CB 1.708 64.903 63.200 -0.008 0.000 1.053 736 S HN 2.138 nan 8.310 nan 0.000 0.482 737 V N 3.427 123.327 119.914 -0.024 0.000 2.324 737 V HA -0.143 3.977 4.120 -0.001 0.000 0.250 737 V C 2.290 178.405 176.094 0.035 0.000 1.060 737 V CA 1.438 63.742 62.300 0.008 0.000 1.042 737 V CB -1.450 30.375 31.823 0.004 0.000 0.650 737 V HN 0.832 nan 8.190 nan 0.000 0.450 738 L N 2.534 123.768 121.223 0.019 0.000 2.197 738 L HA -0.211 4.129 4.340 -0.001 0.000 0.215 738 L C 2.378 179.269 176.870 0.036 0.000 1.095 738 L CA 2.769 57.620 54.840 0.019 0.000 0.764 738 L CB -1.761 40.302 42.059 0.007 0.000 0.897 738 L HN 0.904 nan 8.230 nan 0.000 0.436 739 N N -1.611 117.117 118.700 0.047 0.000 2.171 739 N HA 0.024 4.764 4.740 -0.001 0.000 0.212 739 N C 1.616 177.182 175.510 0.094 0.000 1.184 739 N CA -0.038 53.057 53.050 0.075 0.000 0.888 739 N CB 0.500 39.025 38.487 0.063 0.000 1.038 739 N HN 0.272 nan 8.380 nan 0.000 0.517 740 I N 1.544 122.169 120.570 0.091 0.000 2.277 740 I HA -0.169 4.000 4.170 -0.001 0.000 0.243 740 I C 1.989 178.183 176.117 0.129 0.000 1.094 740 I CA 1.038 62.416 61.300 0.131 0.000 1.393 740 I CB -0.659 37.447 38.000 0.175 0.000 1.078 740 I HN 0.078 nan 8.210 nan 0.000 0.417 741 T N 0.707 115.325 114.554 0.106 0.000 2.399 741 T HA -0.350 3.999 4.350 -0.001 0.000 0.242 741 T C 1.804 176.537 174.700 0.055 0.000 1.348 741 T CA 1.933 64.075 62.100 0.070 0.000 1.200 741 T CB -0.626 68.269 68.868 0.045 0.000 0.862 741 T HN 0.354 nan 8.240 nan 0.000 0.404 742 Q N -0.109 119.723 119.800 0.053 0.000 2.142 742 Q HA -0.233 4.107 4.340 -0.001 0.000 0.213 742 Q C 2.459 178.535 176.000 0.126 0.000 1.004 742 Q CA 1.972 57.805 55.803 0.050 0.000 0.883 742 Q CB -0.321 28.514 28.738 0.161 0.000 0.939 742 Q HN 0.550 nan 8.270 nan 0.000 0.413 743 M N -0.981 118.752 119.600 0.221 0.000 2.059 743 M HA -0.186 4.293 4.480 -0.001 0.000 0.259 743 M C 2.268 178.652 176.300 0.139 0.000 1.072 743 M CA 1.758 57.208 55.300 0.250 0.000 1.117 743 M CB -0.261 32.447 32.600 0.180 0.000 1.320 743 M HN 0.281 nan 8.290 nan 0.000 0.408 744 A N -0.524 122.355 122.820 0.097 0.000 1.970 744 A HA 0.387 4.706 4.320 -0.001 0.000 0.216 744 A C 0.845 178.439 177.584 0.016 0.000 1.170 744 A CA 1.095 53.169 52.037 0.062 0.000 0.645 744 A CB -0.183 18.859 19.000 0.070 0.000 0.816 744 A HN 0.475 nan 8.150 nan 0.000 0.447 745 A N -0.345 122.476 122.820 0.002 0.000 2.429 745 A HA 0.586 4.905 4.320 -0.001 0.000 0.289 745 A C -0.088 177.470 177.584 -0.044 0.000 1.043 745 A CA -0.200 51.816 52.037 -0.035 0.000 0.722 745 A CB -0.228 18.750 19.000 -0.037 0.000 1.243 745 A HN 1.652 nan 8.150 nan 0.000 0.415 746 M N 1.573 121.135 119.600 -0.062 0.000 4.047 746 M HA -0.201 4.279 4.480 -0.001 0.000 0.157 746 M C -0.627 175.561 176.300 -0.188 0.000 1.532 746 M CA 0.992 56.244 55.300 -0.080 0.000 1.097 746 M CB -1.238 31.396 32.600 0.057 0.000 1.346 746 M HN 0.577 nan 8.290 nan 0.000 0.190 747 L N 2.516 123.546 121.223 -0.320 0.000 2.022 747 L HA 0.367 4.706 4.340 -0.001 0.000 0.204 747 L C 1.410 178.050 176.870 -0.383 0.000 1.076 747 L CA 0.901 55.517 54.840 -0.373 0.000 0.749 747 L CB -1.303 40.439 42.059 -0.529 0.000 0.903 747 L HN 1.382 nan 8.230 nan 0.000 0.439 748 G N 0.851 109.312 108.800 -0.565 0.000 3.399 748 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.685 748 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.685 748 G C -0.451 173.822 174.900 -1.046 0.000 0.952 748 G CA -0.242 44.107 45.100 -1.253 0.000 0.793 748 G HN 0.536 nan 8.290 nan 0.000 0.492 749 Q N -0.453 118.644 119.800 -1.171 0.000 3.072 749 Q HA -0.145 4.194 4.340 -0.001 0.000 0.063 749 Q C 0.025 175.873 176.000 -0.254 0.000 1.624 749 Q CA 1.470 56.994 55.803 -0.465 0.000 0.332 749 Q CB -0.128 28.419 28.738 -0.320 0.000 0.594 749 Q HN 0.855 nan 8.270 nan 0.000 0.321 750 Q N 2.283 121.991 119.800 -0.153 0.000 2.788 750 Q HA 0.259 4.599 4.340 -0.001 0.000 0.278 750 Q C -0.412 175.572 176.000 -0.027 0.000 1.126 750 Q CA -0.066 55.711 55.803 -0.043 0.000 1.017 750 Q CB 1.300 30.074 28.738 0.061 0.000 1.219 750 Q HN 0.613 nan 8.270 nan 0.000 0.503 751 S N 1.127 116.801 115.700 -0.043 0.000 2.563 751 S HA 0.211 4.680 4.470 -0.001 0.000 0.294 751 S C 0.202 174.799 174.600 -0.005 0.000 1.279 751 S CA -0.233 57.951 58.200 -0.027 0.000 1.069 751 S CB 0.133 63.313 63.200 -0.034 0.000 0.828 751 S HN 0.413 nan 8.310 nan 0.000 0.497 752 V N 3.763 123.680 119.914 0.004 0.000 3.181 752 V HA 0.707 4.826 4.120 -0.001 0.000 0.308 752 V C 0.765 176.862 176.094 0.004 0.000 1.214 752 V CA -0.631 61.672 62.300 0.006 0.000 1.053 752 V CB 1.310 33.141 31.823 0.014 0.000 1.069 752 V HN 1.062 nan 8.190 nan 0.000 0.441 753 R N 0.714 121.214 120.500 0.000 0.000 4.024 753 R HA -0.236 4.103 4.340 -0.001 0.000 0.391 753 R C 1.283 177.580 176.300 -0.006 0.000 1.157 753 R CA 2.110 58.209 56.100 -0.001 0.000 1.215 753 R CB -1.536 28.766 30.300 0.004 0.000 1.738 753 R HN 2.728 nan 8.270 nan 0.000 0.566 754 G N -1.553 107.242 108.800 -0.008 0.000 2.259 754 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.217 754 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.217 754 G C 0.003 174.893 174.900 -0.016 0.000 1.001 754 G CA 0.384 45.476 45.100 -0.013 0.000 0.627 754 G HN 0.404 nan 8.290 nan 0.000 0.501 755 E N 0.181 120.374 120.200 -0.012 0.000 2.518 755 E HA 0.627 4.976 4.350 -0.001 0.000 0.248 755 E C 0.547 177.139 176.600 -0.013 0.000 1.028 755 E CA -0.770 55.621 56.400 -0.015 0.000 0.922 755 E CB 0.908 30.603 29.700 -0.008 0.000 1.299 755 E HN 0.356 nan 8.360 nan 0.000 0.457 756 R N 0.194 120.685 120.500 -0.015 0.000 2.583 756 R HA 0.316 4.655 4.340 -0.001 0.000 0.268 756 R C 0.239 176.547 176.300 0.013 0.000 1.101 756 R CA -0.670 55.419 56.100 -0.020 0.000 1.180 756 R CB 0.398 30.678 30.300 -0.033 0.000 1.128 756 R HN 0.403 nan 8.270 nan 0.000 0.568 757 I N 4.041 124.623 120.570 0.020 0.000 2.624 757 I HA -0.065 4.105 4.170 -0.001 0.000 0.307 757 I C 0.857 177.071 176.117 0.161 0.000 1.191 757 I CA 0.570 61.947 61.300 0.130 0.000 1.708 757 I CB -1.414 36.753 38.000 0.279 0.000 1.521 757 I HN 0.528 nan 8.210 nan 0.000 0.805 758 K N 6.718 127.184 120.400 0.110 0.000 2.462 758 K HA 0.298 4.618 4.320 -0.001 0.000 0.257 758 K C 0.670 177.346 176.600 0.126 0.000 1.062 758 K CA -0.835 55.512 56.287 0.101 0.000 0.923 758 K CB 0.246 32.780 32.500 0.058 0.000 1.210 758 K HN 0.334 nan 8.250 nan 0.000 0.502 759 R N -0.668 119.889 120.500 0.095 0.000 2.802 759 R HA -0.007 4.332 4.340 -0.001 0.000 0.264 759 R C 0.422 176.766 176.300 0.073 0.000 0.996 759 R CA 0.764 56.919 56.100 0.092 0.000 1.123 759 R CB -0.440 29.893 30.300 0.055 0.000 0.996 759 R HN 0.981 nan 8.270 nan 0.000 0.444 760 G N -0.252 108.583 108.800 0.058 0.000 3.531 760 G HA2 0.080 4.040 3.960 -0.001 0.000 0.212 760 G HA3 0.080 4.040 3.960 -0.001 0.000 0.212 760 G C -0.366 174.389 174.900 -0.242 0.000 1.146 760 G CA -0.199 44.850 45.100 -0.085 0.000 0.916 760 G HN 0.536 nan 8.290 nan 0.000 0.637 761 Y N 0.123 120.427 120.300 0.006 0.000 2.696 761 Y HA 0.442 4.991 4.550 -0.001 0.000 0.255 761 Y C 0.779 176.657 175.900 -0.037 0.000 1.103 761 Y CA -0.964 57.126 58.100 -0.017 0.000 1.126 761 Y CB 0.429 38.874 38.460 -0.024 0.000 1.197 761 Y HN 0.108 nan 8.280 nan 0.000 0.574 762 M N 1.628 121.266 119.600 0.063 0.000 3.655 762 M HA -0.264 4.216 4.480 -0.001 0.000 0.163 762 M C -0.383 175.863 176.300 -0.089 0.000 1.450 762 M CA 1.176 56.477 55.300 0.002 0.000 0.973 762 M CB -1.125 31.482 32.600 0.011 0.000 1.310 762 M HN 0.500 nan 8.290 nan 0.000 0.488 763 T N 3.173 117.673 114.554 -0.091 0.000 2.413 763 T HA -0.190 4.159 4.350 -0.001 0.000 0.516 763 T C 0.669 175.295 174.700 -0.124 0.000 0.823 763 T CA 1.395 63.394 62.100 -0.168 0.000 2.731 763 T CB -0.970 67.623 68.868 -0.459 0.000 1.694 763 T HN 0.951 nan 8.240 nan 0.000 0.469 764 R N -0.756 119.776 120.500 0.053 0.000 2.018 764 R HA 0.083 4.422 4.340 -0.001 0.000 0.108 764 R C 1.274 177.738 176.300 0.274 0.000 0.740 764 R CA 0.302 56.489 56.100 0.144 0.000 1.958 764 R CB -0.691 29.654 30.300 0.074 0.000 1.268 764 R HN 0.429 nan 8.270 nan 0.000 0.480 765 T N 0.739 115.459 114.554 0.276 0.000 12.278 765 T HA -0.202 4.148 4.350 -0.001 0.000 0.418 765 T C -0.061 174.826 174.700 0.312 0.000 1.446 765 T CA 1.997 64.288 62.100 0.318 0.000 2.394 765 T CB -0.618 68.494 68.868 0.406 0.000 2.852 765 T HN 0.330 nan 8.240 nan 0.000 0.835 766 L N 1.672 123.013 121.223 0.196 0.000 2.470 766 L HA 0.323 4.662 4.340 -0.001 0.000 0.268 766 L C -1.888 174.845 176.870 -0.230 0.000 0.964 766 L CA -1.649 53.154 54.840 -0.061 0.000 0.839 766 L CB 2.375 44.232 42.059 -0.336 0.000 1.276 766 L HN -0.007 nan 8.230 nan 0.000 0.403 767 P HA -0.106 nan 4.420 nan 0.000 0.236 767 P C 0.834 177.913 177.300 -0.369 0.000 1.172 767 P CA 0.961 63.771 63.100 -0.483 0.000 0.759 767 P CB -0.054 31.227 31.700 -0.698 0.000 0.843 768 H N -1.596 117.141 119.070 -0.556 0.000 2.556 768 H HA 0.142 4.697 4.556 -0.001 0.000 0.268 768 H C 0.540 175.628 175.328 -0.400 0.000 0.996 768 H CA 0.182 55.909 56.048 -0.535 0.000 1.157 768 H CB -0.168 29.195 29.762 -0.664 0.000 1.355 768 H HN 0.251 nan 8.280 nan 0.000 0.597 769 F N 0.641 120.630 119.950 0.066 0.000 2.575 769 F HA 0.313 4.839 4.527 -0.001 0.000 0.330 769 F C 0.579 176.389 175.800 0.017 0.000 1.056 769 F CA -1.353 56.683 58.000 0.059 0.000 0.964 769 F CB 1.892 40.949 39.000 0.095 0.000 1.258 769 F HN -0.266 nan 8.300 nan 0.000 0.484 770 K N 3.227 123.777 120.400 0.249 0.000 2.249 770 K HA 0.272 4.591 4.320 -0.001 0.000 0.280 770 K C -2.484 174.196 176.600 0.132 0.000 1.033 770 K CA -1.697 54.673 56.287 0.140 0.000 0.946 770 K CB 0.852 33.422 32.500 0.117 0.000 1.005 770 K HN 0.166 nan 8.250 nan 0.000 0.469 771 P HA -0.113 nan 4.420 nan 0.000 0.264 771 P C -1.131 176.246 177.300 0.129 0.000 1.183 771 P CA 0.496 63.602 63.100 0.011 0.000 0.763 771 P CB -0.051 31.642 31.700 -0.012 0.000 0.807 772 Y N -0.968 119.386 120.300 0.089 0.000 2.973 772 Y HA -0.213 4.336 4.550 -0.001 0.000 0.153 772 Y C 0.305 176.246 175.900 0.068 0.000 1.748 772 Y CA 0.496 58.643 58.100 0.079 0.000 0.920 772 Y CB -2.023 36.480 38.460 0.070 0.000 1.478 772 Y HN 0.365 nan 8.280 nan 0.000 0.366 773 D N 2.335 122.824 120.400 0.147 0.000 2.471 773 D HA 0.489 5.128 4.640 -0.001 0.000 0.245 773 D C 0.353 176.677 176.300 0.041 0.000 1.116 773 D CA -0.588 53.459 54.000 0.079 0.000 0.853 773 D CB 0.587 41.404 40.800 0.027 0.000 1.123 773 D HN 0.372 nan 8.370 nan 0.000 0.540 774 I N 1.354 121.946 120.570 0.037 0.000 3.956 774 I HA 0.065 4.235 4.170 -0.001 0.000 0.333 774 I C 1.188 177.285 176.117 -0.033 0.000 1.302 774 I CA -0.274 61.036 61.300 0.016 0.000 1.122 774 I CB 0.071 38.095 38.000 0.041 0.000 1.013 774 I HN 0.208 nan 8.210 nan 0.000 0.405 775 S N 2.755 118.415 115.700 -0.067 0.000 2.569 775 S HA 0.074 4.543 4.470 -0.001 0.000 0.274 775 S C -0.859 173.657 174.600 -0.140 0.000 1.353 775 S CA -0.847 57.294 58.200 -0.099 0.000 1.023 775 S CB 0.709 63.832 63.200 -0.128 0.000 0.876 775 S HN 0.057 nan 8.310 nan 0.000 0.540 776 P HA -0.173 nan 4.420 nan 0.000 0.215 776 P C 1.273 178.387 177.300 -0.309 0.000 1.157 776 P CA 1.453 64.419 63.100 -0.222 0.000 0.868 776 P CB -0.213 31.304 31.700 -0.305 0.000 0.788 777 E N 0.581 120.623 120.200 -0.262 0.000 2.118 777 E HA -0.089 4.260 4.350 -0.001 0.000 0.195 777 E C 1.330 177.769 176.600 -0.268 0.000 0.992 777 E CA 0.798 57.066 56.400 -0.220 0.000 0.804 777 E CB -1.067 28.629 29.700 -0.006 0.000 0.741 777 E HN 0.168 nan 8.360 nan 0.000 0.458 778 A N 1.120 123.674 122.820 -0.443 0.000 2.251 778 A HA 0.253 4.572 4.320 -0.001 0.000 0.278 778 A C 0.677 178.123 177.584 -0.230 0.000 1.206 778 A CA 0.172 51.961 52.037 -0.413 0.000 0.822 778 A CB 0.199 18.860 19.000 -0.566 0.000 1.187 778 A HN 0.238 nan 8.150 nan 0.000 0.504 779 R N -1.361 119.148 120.500 0.016 0.000 3.973 779 R HA -0.256 4.083 4.340 -0.001 0.000 0.322 779 R C 0.738 176.774 176.300 -0.441 0.000 1.238 779 R CA 1.220 57.277 56.100 -0.072 0.000 0.937 779 R CB -2.490 27.791 30.300 -0.030 0.000 1.340 779 R HN 2.435 nan 8.270 nan 0.000 0.552 780 G N -0.735 107.318 108.800 -1.246 0.000 2.293 780 G HA2 0.148 4.107 3.960 -0.001 0.000 0.282 780 G HA3 0.148 4.107 3.960 -0.001 0.000 0.282 780 G C -0.499 174.006 174.900 -0.659 0.000 1.299 780 G CA -0.391 44.008 45.100 -1.168 0.000 1.018 780 G HN 0.477 nan 8.290 nan 0.000 0.478 781 F N -0.911 118.740 119.950 -0.497 0.000 2.145 781 F HA -0.130 4.396 4.527 -0.001 0.000 0.458 781 F C -0.212 175.320 175.800 -0.447 0.000 1.218 781 F CA -0.291 57.456 58.000 -0.421 0.000 1.489 781 F CB -0.493 38.235 39.000 -0.454 0.000 2.341 781 F HN 0.613 nan 8.300 nan 0.000 0.736 782 I N 8.157 128.734 120.570 0.011 0.000 2.342 782 I HA 0.103 4.273 4.170 -0.001 0.000 0.291 782 I C 0.474 176.635 176.117 0.073 0.000 1.010 782 I CA 0.151 61.456 61.300 0.010 0.000 1.308 782 I CB 0.877 38.810 38.000 -0.112 0.000 1.400 782 I HN 0.488 nan 8.210 nan 0.000 0.488 783 Y N 2.164 122.619 120.300 0.257 0.000 2.517 783 Y HA 0.108 4.657 4.550 -0.001 0.000 0.281 783 Y C 1.358 177.296 175.900 0.064 0.000 1.125 783 Y CA -0.107 58.115 58.100 0.204 0.000 1.283 783 Y CB 0.205 38.741 38.460 0.125 0.000 1.042 783 Y HN 0.450 nan 8.280 nan 0.000 0.547 784 S N 0.511 116.292 115.700 0.136 0.000 2.580 784 S HA 0.210 4.679 4.470 -0.001 0.000 0.274 784 S C 0.254 174.784 174.600 -0.117 0.000 1.329 784 S CA -0.709 57.509 58.200 0.030 0.000 1.036 784 S CB 0.900 64.118 63.200 0.030 0.000 0.919 784 S HN 0.319 nan 8.310 nan 0.000 0.515 785 S N 1.432 117.074 115.700 -0.098 0.000 2.608 785 S HA 0.438 4.908 4.470 -0.001 0.000 0.291 785 S C 0.552 175.083 174.600 -0.116 0.000 1.146 785 S CA -0.744 57.368 58.200 -0.147 0.000 1.043 785 S CB 0.095 63.267 63.200 -0.046 0.000 1.037 785 S HN 0.554 nan 8.310 nan 0.000 0.520 786 F N 0.722 120.661 119.950 -0.018 0.000 2.411 786 F HA -0.083 4.444 4.527 -0.001 0.000 0.299 786 F C 2.729 178.536 175.800 0.011 0.000 1.077 786 F CA 0.721 58.714 58.000 -0.011 0.000 1.439 786 F CB -0.048 38.942 39.000 -0.018 0.000 1.085 786 F HN 0.564 nan 8.300 nan 0.000 0.564 787 R N 0.243 120.831 120.500 0.148 0.000 2.048 787 R HA -0.057 4.282 4.340 -0.001 0.000 0.221 787 R C 2.165 178.511 176.300 0.077 0.000 1.174 787 R CA 1.694 57.855 56.100 0.101 0.000 0.971 787 R CB -0.941 29.404 30.300 0.074 0.000 0.863 787 R HN 0.100 nan 8.270 nan 0.000 0.439 788 T N -0.120 114.465 114.554 0.052 0.000 2.701 788 T HA -0.188 4.161 4.350 -0.001 0.000 0.265 788 T C 0.860 175.599 174.700 0.065 0.000 1.032 788 T CA 1.724 63.857 62.100 0.054 0.000 1.158 788 T CB -0.643 68.251 68.868 0.043 0.000 0.854 788 T HN 0.673 nan 8.240 nan 0.000 0.463 789 G N 0.681 109.519 108.800 0.064 0.000 3.434 789 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.686 789 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.686 789 G C -0.752 174.189 174.900 0.069 0.000 1.099 789 G CA -0.998 44.150 45.100 0.080 0.000 0.931 789 G HN 0.354 nan 8.290 nan 0.000 0.520 790 L N 2.018 123.286 121.223 0.076 0.000 2.540 790 L HA 0.136 4.475 4.340 -0.001 0.000 0.276 790 L C 1.358 178.283 176.870 0.091 0.000 1.212 790 L CA 0.869 55.750 54.840 0.070 0.000 0.893 790 L CB 0.627 42.755 42.059 0.114 0.000 1.138 790 L HN 0.639 nan 8.230 nan 0.000 0.491 791 K N 4.990 125.449 120.400 0.099 0.000 2.154 791 K HA 0.160 4.479 4.320 -0.001 0.000 0.264 791 K C -1.380 175.272 176.600 0.086 0.000 1.008 791 K CA -1.481 54.866 56.287 0.100 0.000 0.937 791 K CB 1.003 33.578 32.500 0.126 0.000 1.002 791 K HN 0.280 nan 8.250 nan 0.000 0.469 792 P HA -0.164 nan 4.420 nan 0.000 0.218 792 P C 0.501 177.764 177.300 -0.062 0.000 1.146 792 P CA 1.371 64.474 63.100 0.004 0.000 0.813 792 P CB 0.316 32.007 31.700 -0.016 0.000 0.778 793 T N -1.269 113.243 114.554 -0.069 0.000 2.852 793 T HA -0.044 4.306 4.350 -0.001 0.000 0.256 793 T C 1.603 176.328 174.700 0.041 0.000 1.038 793 T CA 0.889 62.902 62.100 -0.145 0.000 1.141 793 T CB -0.528 68.301 68.868 -0.066 0.000 0.869 793 T HN 0.237 nan 8.240 nan 0.000 0.439 794 E N 1.046 121.379 120.200 0.222 0.000 2.070 794 E HA -0.146 4.203 4.350 -0.001 0.000 0.197 794 E C 2.111 178.874 176.600 0.272 0.000 1.004 794 E CA 1.028 57.621 56.400 0.322 0.000 0.805 794 E CB -0.338 29.489 29.700 0.212 0.000 0.744 794 E HN 0.299 nan 8.360 nan 0.000 0.451 795 L N -0.070 121.269 121.223 0.194 0.000 2.127 795 L HA -0.188 4.151 4.340 -0.001 0.000 0.211 795 L C 2.137 179.093 176.870 0.144 0.000 1.089 795 L CA 1.116 56.073 54.840 0.195 0.000 0.757 795 L CB -0.091 42.061 42.059 0.154 0.000 0.899 795 L HN 0.099 nan 8.230 nan 0.000 0.434 796 F N -1.060 118.873 119.950 -0.028 0.000 2.293 796 F HA -0.096 4.430 4.527 -0.002 0.000 0.297 796 F C 1.817 177.582 175.800 -0.059 0.000 1.089 796 F CA 1.204 59.141 58.000 -0.105 0.000 1.377 796 F CB -0.141 38.717 39.000 -0.236 0.000 1.051 796 F HN -0.010 nan 8.300 nan 0.000 0.511 797 F N -1.073 118.985 119.950 0.180 0.000 2.084 797 F HA -0.215 4.311 4.527 -0.001 0.000 0.296 797 F C 2.664 178.495 175.800 0.052 0.000 1.111 797 F CA 1.616 59.691 58.000 0.124 0.000 1.224 797 F CB -0.695 38.397 39.000 0.153 0.000 0.991 797 F HN 0.005 nan 8.300 nan 0.000 0.471 798 H N 0.178 119.365 119.070 0.196 0.000 2.457 798 H HA -0.026 4.529 4.556 -0.001 0.000 0.294 798 H C 1.892 177.239 175.328 0.032 0.000 1.064 798 H CA 1.180 57.288 56.048 0.100 0.000 1.330 798 H CB -0.161 29.666 29.762 0.108 0.000 1.395 798 H HN 0.165 nan 8.280 nan 0.000 0.541 799 A N 0.693 123.382 122.820 -0.220 0.000 1.897 799 A HA 0.082 4.401 4.320 -0.001 0.000 0.215 799 A C 2.570 179.966 177.584 -0.312 0.000 1.181 799 A CA 1.268 53.107 52.037 -0.330 0.000 0.620 799 A CB -1.190 17.616 19.000 -0.322 0.000 0.821 799 A HN 0.566 nan 8.150 nan 0.000 0.443 800 A N -0.401 122.231 122.820 -0.314 0.000 2.067 800 A HA 0.187 4.506 4.320 -0.001 0.000 0.219 800 A C 2.233 179.763 177.584 -0.090 0.000 1.158 800 A CA 1.695 53.605 52.037 -0.211 0.000 0.661 800 A CB -1.116 17.797 19.000 -0.145 0.000 0.801 800 A HN 0.632 nan 8.150 nan 0.000 0.452 801 G N -0.081 108.679 108.800 -0.066 0.000 2.464 801 G HA2 0.087 4.046 3.960 -0.001 0.000 0.214 801 G HA3 0.087 4.046 3.960 -0.001 0.000 0.214 801 G C 1.287 176.149 174.900 -0.062 0.000 1.218 801 G CA 0.853 45.939 45.100 -0.022 0.000 0.794 801 G HN 0.791 nan 8.290 nan 0.000 0.542 802 G N -0.301 108.417 108.800 -0.137 0.000 3.374 802 G HA2 0.264 4.223 3.960 -0.001 0.000 0.252 802 G HA3 0.264 4.223 3.960 -0.001 0.000 0.252 802 G C 1.262 176.098 174.900 -0.107 0.000 1.326 802 G CA -0.116 44.915 45.100 -0.116 0.000 1.133 802 G HN 0.366 nan 8.290 nan 0.000 0.528 803 R N 0.059 120.501 120.500 -0.096 0.000 2.290 803 R HA 0.169 4.508 4.340 -0.001 0.000 0.197 803 R C 1.947 178.213 176.300 -0.056 0.000 0.913 803 R CA 0.506 56.555 56.100 -0.085 0.000 1.040 803 R CB 0.020 30.260 30.300 -0.099 0.000 0.992 803 R HN 0.430 nan 8.270 nan 0.000 0.500 804 E N -1.048 119.125 120.200 -0.044 0.000 2.107 804 E HA -0.028 4.322 4.350 -0.001 0.000 0.191 804 E C 1.795 178.377 176.600 -0.031 0.000 0.982 804 E CA 1.121 57.502 56.400 -0.032 0.000 0.809 804 E CB -0.162 29.524 29.700 -0.024 0.000 0.756 804 E HN 0.477 nan 8.360 nan 0.000 0.459 805 G N 1.922 110.701 108.800 -0.035 0.000 2.440 805 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.218 805 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.218 805 G C 1.480 176.361 174.900 -0.032 0.000 1.154 805 G CA 0.539 45.620 45.100 -0.032 0.000 0.767 805 G HN 0.126 nan 8.290 nan 0.000 0.552 806 L N 0.353 121.553 121.223 -0.038 0.000 2.700 806 L HA 0.073 4.412 4.340 -0.001 0.000 0.240 806 L C 1.683 178.535 176.870 -0.029 0.000 1.162 806 L CA -0.097 54.722 54.840 -0.035 0.000 0.874 806 L CB -0.125 41.909 42.059 -0.042 0.000 1.001 806 L HN 0.143 nan 8.230 nan 0.000 0.447 807 V N -2.398 117.500 119.914 -0.027 0.000 3.141 807 V HA 0.038 4.157 4.120 -0.001 0.000 0.225 807 V C 1.105 177.187 176.094 -0.020 0.000 1.352 807 V CA 0.288 62.575 62.300 -0.023 0.000 1.316 807 V CB 0.411 32.220 31.823 -0.024 0.000 1.126 807 V HN 0.158 nan 8.190 nan 0.000 0.493 808 D N 0.802 121.190 120.400 -0.019 0.000 2.336 808 D HA 0.028 4.668 4.640 -0.001 0.000 0.229 808 D C 1.554 177.846 176.300 -0.015 0.000 1.061 808 D CA 0.822 54.813 54.000 -0.016 0.000 0.875 808 D CB 0.494 41.285 40.800 -0.015 0.000 0.904 808 D HN 0.422 nan 8.370 nan 0.000 0.525 809 T N -0.949 113.595 114.554 -0.017 0.000 3.022 809 T HA 0.245 4.594 4.350 -0.001 0.000 0.250 809 T C 1.716 176.407 174.700 -0.014 0.000 1.060 809 T CA 0.368 62.459 62.100 -0.016 0.000 1.013 809 T CB 0.809 69.666 68.868 -0.019 0.000 0.982 809 T HN 0.134 nan 8.240 nan 0.000 0.508 810 A N 0.906 123.717 122.820 -0.015 0.000 1.938 810 A HA 0.340 4.659 4.320 -0.001 0.000 0.207 810 A C 2.072 179.649 177.584 -0.011 0.000 1.292 810 A CA 0.313 52.342 52.037 -0.014 0.000 0.700 810 A CB -0.269 18.721 19.000 -0.016 0.000 0.947 810 A HN 0.272 nan 8.150 nan 0.000 0.476 811 V N 0.422 120.329 119.914 -0.012 0.000 3.406 811 V HA 0.002 4.121 4.120 -0.001 0.000 0.263 811 V C 2.339 178.428 176.094 -0.009 0.000 1.172 811 V CA 0.685 62.977 62.300 -0.012 0.000 1.140 811 V CB -0.684 31.130 31.823 -0.016 0.000 0.784 811 V HN 0.357 nan 8.190 nan 0.000 0.467 812 R N 0.508 121.004 120.500 -0.006 0.000 2.090 812 R HA -0.074 4.265 4.340 -0.001 0.000 0.228 812 R C 2.373 178.677 176.300 0.007 0.000 1.110 812 R CA 1.668 57.767 56.100 -0.001 0.000 0.973 812 R CB -0.869 29.430 30.300 -0.002 0.000 0.869 812 R HN 0.496 nan 8.270 nan 0.000 0.440 813 T N 1.337 115.894 114.554 0.005 0.000 2.699 813 T HA -0.172 4.177 4.350 -0.001 0.000 0.268 813 T C 1.943 176.659 174.700 0.026 0.000 1.036 813 T CA 1.986 64.094 62.100 0.012 0.000 1.147 813 T CB -0.343 68.529 68.868 0.007 0.000 0.862 813 T HN 0.435 nan 8.240 nan 0.000 0.446 814 S N 1.244 116.955 115.700 0.019 0.000 2.440 814 S HA -0.203 4.267 4.470 -0.001 0.000 0.240 814 S C 1.928 176.560 174.600 0.053 0.000 1.014 814 S CA 1.142 59.356 58.200 0.023 0.000 0.980 814 S CB -0.395 62.800 63.200 -0.008 0.000 0.775 814 S HN 0.563 nan 8.310 nan 0.000 0.499 815 Q N 0.110 119.944 119.800 0.056 0.000 2.390 815 Q HA 0.168 4.507 4.340 -0.001 0.000 0.216 815 Q C 2.386 178.458 176.000 0.119 0.000 0.916 815 Q CA 0.694 56.558 55.803 0.102 0.000 0.911 815 Q CB -0.042 28.733 28.738 0.061 0.000 1.035 815 Q HN 0.612 nan 8.270 nan 0.000 0.541 816 S N -0.082 115.659 115.700 0.068 0.000 2.356 816 S HA -0.108 4.361 4.470 -0.001 0.000 0.223 816 S C 1.816 176.445 174.600 0.048 0.000 1.032 816 S CA 1.527 59.755 58.200 0.047 0.000 1.005 816 S CB -0.381 62.834 63.200 0.026 0.000 0.867 816 S HN 0.508 nan 8.310 nan 0.000 0.449 817 G N -1.248 107.588 108.800 0.059 0.000 2.744 817 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.211 817 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.211 817 G C 1.050 176.007 174.900 0.096 0.000 1.143 817 G CA 0.450 45.584 45.100 0.057 0.000 0.788 817 G HN 0.635 nan 8.290 nan 0.000 0.534 818 Y N 0.059 120.357 120.300 -0.003 0.000 2.490 818 Y HA 0.332 4.881 4.550 -0.001 0.000 0.285 818 Y C 2.364 178.262 175.900 -0.004 0.000 1.117 818 Y CA 0.669 58.767 58.100 -0.004 0.000 1.262 818 Y CB 0.136 38.593 38.460 -0.004 0.000 1.043 818 Y HN 0.173 nan 8.280 nan 0.000 0.553 819 M N -0.489 119.089 119.600 -0.038 0.000 2.160 819 M HA -0.144 4.335 4.480 -0.001 0.000 0.264 819 M C 2.247 178.478 176.300 -0.116 0.000 1.073 819 M CA 1.643 56.881 55.300 -0.104 0.000 1.142 819 M CB -0.122 32.469 32.600 -0.015 0.000 1.358 819 M HN 0.333 nan 8.290 nan 0.000 0.422 820 Q N 0.374 120.138 119.800 -0.061 0.000 1.985 820 Q HA -0.306 4.033 4.340 -0.001 0.000 0.207 820 Q C 2.030 177.983 176.000 -0.078 0.000 0.996 820 Q CA 2.609 58.382 55.803 -0.051 0.000 0.851 820 Q CB -0.270 28.456 28.738 -0.021 0.000 0.921 820 Q HN 0.414 nan 8.270 nan 0.000 0.418 821 R N 0.287 120.738 120.500 -0.082 0.000 2.178 821 R HA -0.228 4.111 4.340 -0.001 0.000 0.257 821 R C 2.071 178.277 176.300 -0.158 0.000 1.163 821 R CA 2.167 58.208 56.100 -0.098 0.000 0.981 821 R CB -0.196 30.061 30.300 -0.072 0.000 0.878 821 R HN 0.254 nan 8.270 nan 0.000 0.454 822 R N -0.720 119.630 120.500 -0.250 0.000 2.057 822 R HA -0.084 4.255 4.340 -0.001 0.000 0.229 822 R C 2.099 178.314 176.300 -0.141 0.000 1.136 822 R CA 1.789 57.736 56.100 -0.255 0.000 0.952 822 R CB -0.340 29.745 30.300 -0.358 0.000 0.848 822 R HN 0.262 nan 8.270 nan 0.000 0.430 823 L N -0.705 120.453 121.223 -0.107 0.000 2.179 823 L HA 0.001 4.340 4.340 -0.001 0.000 0.208 823 L C 2.033 178.874 176.870 -0.049 0.000 1.096 823 L CA 1.129 55.930 54.840 -0.064 0.000 0.779 823 L CB -0.857 41.176 42.059 -0.044 0.000 0.922 823 L HN -0.002 nan 8.230 nan 0.000 0.443 824 I N 1.054 121.594 120.570 -0.050 0.000 2.103 824 I HA -0.375 3.794 4.170 -0.001 0.000 0.241 824 I C 2.308 178.402 176.117 -0.038 0.000 1.036 824 I CA 1.627 62.905 61.300 -0.037 0.000 1.300 824 I CB -1.089 36.889 38.000 -0.036 0.000 1.010 824 I HN 0.528 nan 8.210 nan 0.000 0.406 825 N N 0.514 119.183 118.700 -0.052 0.000 2.057 825 N HA -0.131 4.609 4.740 -0.001 0.000 0.184 825 N C 1.789 177.273 175.510 -0.044 0.000 1.093 825 N CA 1.366 54.387 53.050 -0.048 0.000 0.902 825 N CB -0.447 38.004 38.487 -0.060 0.000 1.040 825 N HN 0.320 nan 8.380 nan 0.000 0.435 826 A N 1.258 124.047 122.820 -0.052 0.000 1.670 826 A HA -0.254 4.066 4.320 -0.001 0.000 0.312 826 A C 1.227 178.794 177.584 -0.029 0.000 3.495 826 A CA 2.309 54.320 52.037 -0.043 0.000 0.917 826 A CB -1.502 17.470 19.000 -0.047 0.000 0.783 826 A HN 0.485 nan 8.150 nan 0.000 0.530 827 L N -0.459 120.750 121.223 -0.024 0.000 2.449 827 L HA 0.580 4.919 4.340 -0.001 0.000 0.255 827 L C 0.723 177.588 176.870 -0.009 0.000 1.167 827 L CA 1.281 56.115 54.840 -0.010 0.000 1.090 827 L CB 0.454 42.513 42.059 -0.001 0.000 1.385 827 L HN 0.638 nan 8.230 nan 0.000 0.411 828 S N 0.080 115.772 115.700 -0.013 0.000 3.770 828 S HA 0.124 4.593 4.470 -0.001 0.000 0.238 828 S C 0.795 175.383 174.600 -0.020 0.000 1.143 828 S CA 0.026 58.216 58.200 -0.017 0.000 0.869 828 S CB -0.240 62.948 63.200 -0.020 0.000 1.057 828 S HN 0.412 nan 8.310 nan 0.000 0.507 829 D N 2.387 122.776 120.400 -0.018 0.000 2.422 829 D HA 0.104 4.743 4.640 -0.001 0.000 0.245 829 D C -0.149 176.138 176.300 -0.022 0.000 1.102 829 D CA 0.556 54.546 54.000 -0.018 0.000 0.981 829 D CB -0.432 40.362 40.800 -0.011 0.000 0.877 829 D HN 0.501 nan 8.370 nan 0.000 0.522 830 L N 1.672 122.880 121.223 -0.025 0.000 2.262 830 L HA 0.324 4.664 4.340 -0.001 0.000 0.288 830 L C 0.920 177.755 176.870 -0.057 0.000 1.035 830 L CA -0.710 54.113 54.840 -0.030 0.000 0.820 830 L CB 1.129 43.182 42.059 -0.010 0.000 1.204 830 L HN -0.111 nan 8.230 nan 0.000 0.424 831 R N 3.018 123.470 120.500 -0.079 0.000 2.700 831 R HA 0.838 5.177 4.340 -0.001 0.000 0.253 831 R C -0.713 175.499 176.300 -0.146 0.000 1.091 831 R CA -0.727 55.298 56.100 -0.124 0.000 1.104 831 R CB 1.670 31.888 30.300 -0.137 0.000 1.202 831 R HN 0.486 nan 8.270 nan 0.000 0.532 832 A N 2.327 125.026 122.820 -0.202 0.000 2.412 832 A HA 0.259 4.578 4.320 -0.001 0.000 0.334 832 A C -0.344 177.114 177.584 -0.210 0.000 1.419 832 A CA -0.809 51.099 52.037 -0.215 0.000 0.930 832 A CB 0.350 19.168 19.000 -0.303 0.000 1.149 832 A HN 0.722 nan 8.150 nan 0.000 0.515 833 E N 0.926 121.034 120.200 -0.154 0.000 2.442 833 E HA -0.043 4.306 4.350 -0.001 0.000 0.260 833 E C 0.075 176.613 176.600 -0.102 0.000 1.148 833 E CA 0.145 56.450 56.400 -0.158 0.000 0.976 833 E CB 0.196 29.855 29.700 -0.068 0.000 0.967 833 E HN 0.657 nan 8.360 nan 0.000 0.454 834 Y N 0.848 121.128 120.300 -0.035 0.000 2.352 834 Y HA -0.146 4.404 4.550 -0.001 0.000 0.292 834 Y C 1.709 177.596 175.900 -0.022 0.000 1.136 834 Y CA 1.579 59.659 58.100 -0.033 0.000 1.227 834 Y CB -0.088 38.355 38.460 -0.029 0.000 0.991 834 Y HN 0.471 nan 8.280 nan 0.000 0.545 835 D N -1.475 119.007 120.400 0.136 0.000 2.336 835 D HA 0.117 4.756 4.640 -0.001 0.000 0.228 835 D C 1.590 177.927 176.300 0.062 0.000 1.120 835 D CA 0.659 54.708 54.000 0.083 0.000 0.839 835 D CB -0.371 40.467 40.800 0.063 0.000 0.932 835 D HN 0.294 nan 8.370 nan 0.000 0.509 836 G N -0.042 108.792 108.800 0.056 0.000 2.147 836 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.244 836 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.244 836 G C 0.377 175.323 174.900 0.077 0.000 1.005 836 G CA 0.579 45.718 45.100 0.066 0.000 0.713 836 G HN 0.503 nan 8.290 nan 0.000 0.515 837 T N -1.070 113.510 114.554 0.044 0.000 2.880 837 T HA 0.649 4.998 4.350 -0.001 0.000 0.279 837 T C 0.114 174.829 174.700 0.026 0.000 0.990 837 T CA -0.233 61.894 62.100 0.046 0.000 0.938 837 T CB 2.415 71.297 68.868 0.025 0.000 1.206 837 T HN 0.593 nan 8.240 nan 0.000 0.573 838 V N 1.838 121.771 119.914 0.032 0.000 2.398 838 V HA 0.477 4.596 4.120 -0.001 0.000 0.282 838 V C -0.228 175.867 176.094 0.000 0.000 1.014 838 V CA -0.718 61.589 62.300 0.010 0.000 0.838 838 V CB 0.787 32.647 31.823 0.062 0.000 1.018 838 V HN 0.672 nan 8.190 nan 0.000 0.432 839 R N 2.467 122.951 120.500 -0.026 0.000 2.888 839 R HA 0.880 5.219 4.340 -0.001 0.000 0.264 839 R C -0.020 176.263 176.300 -0.029 0.000 1.045 839 R CA -0.454 55.632 56.100 -0.023 0.000 0.962 839 R CB 2.387 32.669 30.300 -0.031 0.000 1.210 839 R HN 0.692 nan 8.270 nan 0.000 0.479 840 S N -0.328 115.364 115.700 -0.014 0.000 3.972 840 S HA 0.297 4.766 4.470 -0.001 0.000 0.190 840 S C 0.456 175.061 174.600 0.009 0.000 1.204 840 S CA -0.652 57.544 58.200 -0.006 0.000 1.285 840 S CB -0.085 63.119 63.200 0.007 0.000 1.849 840 S HN 0.318 nan 8.310 nan 0.000 0.762 841 L N 0.241 121.484 121.223 0.034 0.000 2.491 841 L HA 0.233 4.572 4.340 -0.001 0.000 0.158 841 L C 1.785 178.722 176.870 0.112 0.000 1.029 841 L CA 0.754 55.632 54.840 0.063 0.000 1.656 841 L CB -0.483 41.614 42.059 0.064 0.000 2.075 841 L HN 0.690 nan 8.230 nan 0.000 0.484 842 Y N 1.143 121.434 120.300 -0.016 0.000 2.878 842 Y HA -0.415 4.135 4.550 -0.001 0.000 0.259 842 Y C 1.282 177.179 175.900 -0.006 0.000 1.420 842 Y CA 1.801 59.895 58.100 -0.011 0.000 1.067 842 Y CB -0.867 37.584 38.460 -0.014 0.000 0.760 842 Y HN 0.631 nan 8.280 nan 0.000 0.583 843 G N -0.516 108.254 108.800 -0.049 0.000 2.148 843 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.157 843 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.157 843 G C -0.107 174.718 174.900 -0.126 0.000 1.012 843 G CA -0.009 45.011 45.100 -0.134 0.000 0.677 843 G HN 0.457 nan 8.290 nan 0.000 0.506 844 E N 0.783 120.960 120.200 -0.039 0.000 2.351 844 E HA 0.307 4.656 4.350 -0.001 0.000 0.266 844 E C 0.606 177.208 176.600 0.004 0.000 1.031 844 E CA -0.142 56.264 56.400 0.010 0.000 0.911 844 E CB 1.166 30.925 29.700 0.097 0.000 0.986 844 E HN 0.142 nan 8.360 nan 0.000 0.446 845 V N 5.439 125.353 119.914 0.000 0.000 2.521 845 V HA -0.047 4.073 4.120 -0.001 0.000 0.286 845 V C 1.154 177.265 176.094 0.028 0.000 1.034 845 V CA 0.080 62.387 62.300 0.012 0.000 1.045 845 V CB 1.185 33.015 31.823 0.011 0.000 0.974 845 V HN 0.570 nan 8.190 nan 0.000 0.480 846 V N 3.873 123.807 119.914 0.034 0.000 2.627 846 V HA 0.127 4.246 4.120 -0.001 0.000 0.239 846 V C 0.612 176.739 176.094 0.055 0.000 1.077 846 V CA 0.729 63.055 62.300 0.044 0.000 1.103 846 V CB -0.051 31.800 31.823 0.046 0.000 0.802 846 V HN 0.849 nan 8.190 nan 0.000 0.482 847 Q N -0.446 119.397 119.800 0.070 0.000 2.330 847 Q HA 0.418 4.757 4.340 -0.001 0.000 0.269 847 Q C 0.463 176.505 176.000 0.070 0.000 1.022 847 Q CA -0.347 55.503 55.803 0.078 0.000 0.796 847 Q CB 2.687 31.498 28.738 0.123 0.000 1.271 847 Q HN 0.114 nan 8.270 nan 0.000 0.450 848 V N 1.259 121.205 119.914 0.052 0.000 2.214 848 V HA -0.198 3.921 4.120 -0.001 0.000 0.245 848 V C 0.772 176.903 176.094 0.062 0.000 1.047 848 V CA 2.023 64.351 62.300 0.045 0.000 0.998 848 V CB -0.405 31.439 31.823 0.034 0.000 0.633 848 V HN 0.818 nan 8.190 nan 0.000 0.446 849 A N -0.943 121.914 122.820 0.062 0.000 2.274 849 A HA 0.517 4.836 4.320 -0.001 0.000 0.309 849 A C -0.645 177.003 177.584 0.106 0.000 1.226 849 A CA -0.403 51.682 52.037 0.079 0.000 0.853 849 A CB -0.082 18.947 19.000 0.048 0.000 1.146 849 A HN 0.386 nan 8.150 nan 0.000 0.518 850 Y N 2.537 122.859 120.300 0.036 0.000 2.511 850 Y HA 0.345 4.894 4.550 -0.001 0.000 0.332 850 Y C 1.381 177.315 175.900 0.056 0.000 1.177 850 Y CA 0.785 58.914 58.100 0.048 0.000 1.422 850 Y CB 0.478 38.973 38.460 0.059 0.000 1.271 850 Y HN 1.353 nan 8.280 nan 0.000 0.550 851 G N 5.112 113.430 108.800 -0.803 0.000 2.393 851 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.304 851 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.304 851 G C 0.524 175.251 174.900 -0.289 0.000 0.977 851 G CA 0.947 45.637 45.100 -0.684 0.000 0.803 851 G HN 0.985 nan 8.290 nan 0.000 0.511 852 D N -1.791 118.514 120.400 -0.157 0.000 2.673 852 D HA -0.181 4.459 4.640 -0.001 0.000 0.186 852 D C 1.051 177.333 176.300 -0.030 0.000 1.079 852 D CA 2.113 56.076 54.000 -0.061 0.000 1.050 852 D CB -0.995 39.776 40.800 -0.049 0.000 1.118 852 D HN 0.517 nan 8.370 nan 0.000 0.426 853 D N -1.232 119.141 120.400 -0.045 0.000 2.527 853 D HA 0.309 4.948 4.640 -0.001 0.000 0.249 853 D C 1.994 178.339 176.300 0.077 0.000 1.029 853 D CA 2.304 56.314 54.000 0.016 0.000 0.951 853 D CB -0.047 40.766 40.800 0.022 0.000 1.093 853 D HN 0.413 nan 8.370 nan 0.000 0.464 854 G N -0.018 108.867 108.800 0.142 0.000 2.184 854 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.206 854 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.206 854 G C 0.121 175.224 174.900 0.340 0.000 0.995 854 G CA 0.184 45.469 45.100 0.309 0.000 0.651 854 G HN 0.282 nan 8.290 nan 0.000 0.511 855 V N 1.939 122.007 119.914 0.257 0.000 2.405 855 V HA 0.483 4.602 4.120 -0.001 0.000 0.264 855 V C 0.487 176.860 176.094 0.464 0.000 1.048 855 V CA -0.381 62.091 62.300 0.286 0.000 0.966 855 V CB 0.734 32.662 31.823 0.174 0.000 1.015 855 V HN 0.343 nan 8.190 nan 0.000 0.477 856 F N 8.615 128.814 119.950 0.414 0.000 2.456 856 F HA 0.327 4.854 4.527 -0.001 0.000 0.358 856 F C -1.220 174.765 175.800 0.309 0.000 1.095 856 F CA -1.747 56.512 58.000 0.432 0.000 1.216 856 F CB 1.590 40.853 39.000 0.439 0.000 1.125 856 F HN 0.436 nan 8.300 nan 0.000 0.549 857 P HA -0.223 nan 4.420 nan 0.000 0.219 857 P C 1.751 178.902 177.300 -0.247 0.000 1.146 857 P CA 1.448 64.406 63.100 -0.237 0.000 0.808 857 P CB -0.011 31.497 31.700 -0.320 0.000 0.779 858 M N -1.954 117.384 119.600 -0.436 0.000 2.229 858 M HA -0.161 4.319 4.480 -0.001 0.000 0.264 858 M C 0.997 177.152 176.300 -0.242 0.000 1.063 858 M CA 1.827 56.916 55.300 -0.351 0.000 1.114 858 M CB -0.254 32.126 32.600 -0.368 0.000 1.387 858 M HN -0.057 nan 8.290 nan 0.000 0.420 859 Y N -0.490 119.888 120.300 0.130 0.000 2.490 859 Y HA 0.134 4.684 4.550 -0.001 0.000 0.281 859 Y C 1.600 177.574 175.900 0.124 0.000 1.174 859 Y CA -0.060 58.122 58.100 0.137 0.000 1.295 859 Y CB -0.371 38.191 38.460 0.170 0.000 1.062 859 Y HN 0.241 nan 8.280 nan 0.000 0.522 860 S N -0.795 115.028 115.700 0.206 0.000 2.667 860 S HA 0.792 5.261 4.470 -0.001 0.000 0.292 860 S C 1.114 175.828 174.600 0.190 0.000 1.108 860 S CA -0.200 58.114 58.200 0.191 0.000 0.992 860 S CB 1.139 64.431 63.200 0.154 0.000 1.269 860 S HN 0.073 nan 8.310 nan 0.000 0.528 861 A N -0.279 122.664 122.820 0.206 0.000 1.982 861 A HA 0.353 4.672 4.320 -0.001 0.000 0.217 861 A C 1.758 179.417 177.584 0.124 0.000 1.457 861 A CA 0.411 52.588 52.037 0.232 0.000 0.654 861 A CB -0.827 18.404 19.000 0.384 0.000 1.150 861 A HN 0.933 nan 8.150 nan 0.000 0.509 862 H N -2.261 116.868 119.070 0.099 0.000 3.580 862 H HA 0.283 4.838 4.556 -0.001 0.000 0.245 862 H C 0.805 176.165 175.328 0.054 0.000 1.015 862 H CA 0.339 56.424 56.048 0.062 0.000 1.113 862 H CB 0.986 30.774 29.762 0.043 0.000 1.469 862 H HN 0.567 nan 8.280 nan 0.000 0.554 863 G N 0.859 109.777 108.800 0.196 0.000 2.921 863 G HA2 0.275 4.234 3.960 -0.001 0.000 0.291 863 G HA3 0.275 4.234 3.960 -0.001 0.000 0.291 863 G C -0.331 174.638 174.900 0.116 0.000 1.370 863 G CA -0.772 44.402 45.100 0.123 0.000 0.847 863 G HN 0.108 nan 8.290 nan 0.000 0.532 864 K N -0.650 119.802 120.400 0.086 0.000 2.914 864 K HA 0.340 4.659 4.320 -0.001 0.000 0.246 864 K C -0.563 176.085 176.600 0.080 0.000 0.949 864 K CA 0.671 57.007 56.287 0.082 0.000 1.136 864 K CB -0.744 31.793 32.500 0.061 0.000 0.976 864 K HN 0.417 nan 8.250 nan 0.000 0.473 865 T N -1.060 113.551 114.554 0.094 0.000 3.242 865 T HA -0.092 4.257 4.350 -0.001 0.000 0.371 865 T C -0.601 174.140 174.700 0.068 0.000 0.770 865 T CA -0.435 61.714 62.100 0.081 0.000 1.470 865 T CB -0.641 68.262 68.868 0.057 0.000 1.478 865 T HN 0.014 nan 8.240 nan 0.000 0.461 866 V N 4.806 124.764 119.914 0.074 0.000 2.180 866 V HA 0.022 4.141 4.120 -0.001 0.000 0.238 866 V C 1.848 177.931 176.094 -0.019 0.000 1.337 866 V CA 0.202 62.523 62.300 0.036 0.000 1.338 866 V CB -0.164 31.697 31.823 0.063 0.000 1.431 866 V HN 0.903 nan 8.190 nan 0.000 0.498 867 D N 2.586 122.992 120.400 0.009 0.000 2.339 867 D HA -0.234 4.405 4.640 -0.001 0.000 0.189 867 D C 1.967 178.274 176.300 0.012 0.000 1.022 867 D CA 1.828 55.836 54.000 0.013 0.000 0.884 867 D CB 0.057 40.872 40.800 0.024 0.000 0.916 867 D HN 0.510 nan 8.370 nan 0.000 0.453 868 V N 1.077 120.994 119.914 0.004 0.000 2.358 868 V HA -0.215 3.904 4.120 -0.001 0.000 0.246 868 V C 2.203 178.296 176.094 -0.002 0.000 1.047 868 V CA 1.765 64.091 62.300 0.043 0.000 1.035 868 V CB -0.765 31.076 31.823 0.030 0.000 0.658 868 V HN 0.104 nan 8.190 nan 0.000 0.452 869 N N 0.759 119.316 118.700 -0.238 0.000 2.061 869 N HA -0.221 4.518 4.740 -0.001 0.000 0.193 869 N C 1.978 177.375 175.510 -0.187 0.000 1.030 869 N CA 1.805 54.576 53.050 -0.465 0.000 0.856 869 N CB -0.308 37.669 38.487 -0.851 0.000 1.023 869 N HN 0.348 nan 8.380 nan 0.000 0.424 870 R N -0.087 120.347 120.500 -0.109 0.000 2.119 870 R HA -0.128 4.211 4.340 -0.001 0.000 0.246 870 R C 2.318 178.633 176.300 0.025 0.000 1.146 870 R CA 1.577 57.654 56.100 -0.038 0.000 0.962 870 R CB -0.508 29.784 30.300 -0.014 0.000 0.863 870 R HN 0.388 nan 8.270 nan 0.000 0.442 871 I N -0.140 120.478 120.570 0.081 0.000 2.315 871 I HA -0.267 3.902 4.170 -0.001 0.000 0.248 871 I C 1.423 177.598 176.117 0.096 0.000 1.117 871 I CA 1.115 62.471 61.300 0.094 0.000 1.404 871 I CB 0.001 38.056 38.000 0.092 0.000 1.071 871 I HN 0.086 nan 8.210 nan 0.000 0.419 872 F N 1.403 121.290 119.950 -0.105 0.000 2.126 872 F HA -0.252 4.274 4.527 -0.001 0.000 0.299 872 F C 2.494 178.196 175.800 -0.164 0.000 1.096 872 F CA 1.702 59.620 58.000 -0.138 0.000 1.255 872 F CB -0.522 38.358 39.000 -0.200 0.000 0.997 872 F HN 0.129 nan 8.300 nan 0.000 0.479 873 E N -0.795 119.425 120.200 0.034 0.000 2.072 873 E HA -0.160 4.189 4.350 -0.001 0.000 0.190 873 E C 2.457 179.033 176.600 -0.039 0.000 0.982 873 E CA 0.572 56.953 56.400 -0.030 0.000 0.803 873 E CB -0.010 29.677 29.700 -0.023 0.000 0.755 873 E HN 0.128 nan 8.360 nan 0.000 0.453 874 R N 0.301 120.808 120.500 0.012 0.000 2.057 874 R HA -0.035 4.304 4.340 -0.001 0.000 0.229 874 R C 2.086 178.479 176.300 0.156 0.000 1.136 874 R CA 0.923 57.068 56.100 0.074 0.000 0.952 874 R CB -0.356 29.995 30.300 0.085 0.000 0.848 874 R HN 0.095 nan 8.270 nan 0.000 0.430 875 V N -1.252 118.735 119.914 0.121 0.000 3.355 875 V HA 0.024 4.144 4.120 -0.001 0.000 0.210 875 V C 2.188 178.293 176.094 0.019 0.000 1.157 875 V CA 0.484 62.923 62.300 0.232 0.000 1.336 875 V CB -1.064 30.859 31.823 0.167 0.000 1.317 875 V HN -0.056 nan 8.190 nan 0.000 0.503 876 V N 1.235 121.087 119.914 -0.103 0.000 2.564 876 V HA -0.465 3.654 4.120 -0.001 0.000 0.185 876 V C 2.359 178.354 176.094 -0.166 0.000 1.092 876 V CA 2.814 64.970 62.300 -0.240 0.000 1.174 876 V CB -1.637 29.776 31.823 -0.684 0.000 1.163 876 V HN 0.826 nan 8.190 nan 0.000 0.487 877 G N -2.215 106.407 108.800 -0.296 0.000 2.516 877 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.221 877 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.221 877 G C 0.431 175.150 174.900 -0.302 0.000 1.107 877 G CA 0.773 45.640 45.100 -0.388 0.000 0.747 877 G HN 0.635 nan 8.290 nan 0.000 0.567 878 W N 1.267 122.535 121.300 -0.054 0.000 2.175 878 W HA 0.586 5.245 4.660 -0.001 0.000 0.350 878 W C -0.081 176.423 176.519 -0.025 0.000 0.877 878 W CA -0.711 56.614 57.345 -0.032 0.000 1.544 878 W CB 0.180 29.620 29.460 -0.033 0.000 1.585 878 W HN -0.128 nan 8.180 nan 0.000 0.347 879 K N 0.000 120.497 120.400 0.161 0.000 2.780 879 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 879 K CA 0.000 56.348 56.287 0.101 0.000 0.838 879 K CB 0.000 32.543 32.500 0.072 0.000 1.064 879 K HN 0.000 nan 8.250 nan 0.000 0.543