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 2ogs_1_A DATA FIRST_RESID 3 DATA SEQUENCE RTVVETRYGR LRGEMNEGVF VWKGIPYAKA PVGERRFLPP EPPDAWDGVR DATA SEQUENCE EATSFGPVVM QPSXXXXXXX XXXXSEAPSE DGLYLNIWSP AADGKKRPVL DATA SEQUENCE FWIHGGAFLF GSGSSPWYDG TAFAKHGDVV VVTINYRMNV FGFLHLGDSF DATA SEQUENCE GEAYAQAGNL GILDQVAALR WVKENIAAFG GDPDNITIFG ESAGAASVGV DATA SEQUENCE LLSLPEASGL FRRAMLQSGS GSLLLRSPET AMAMTERILD KAGIRPGDRE DATA SEQUENCE RLLSIPAEEL LRAALSLGPG VMYGPVVDGR VLRRHPIEAL RYGAASGIPI DATA SEQUENCE LIGVTKDEYN LFTLTDPSWT KLGEKELLDR INREVGPVPE EAIRYYKETA DATA SEQUENCE EPSAPTWQTW LRIMTYRVFV EGMLRTADAQ AAQGADVYMY RFDYETPVXX DATA SEQUENCE XXLKAXHALE LPFVFHNLHQ PGVANFVGNR PEREAIANEM HYAWLSFART DATA SEQUENCE GDPNGAHLPE AWPAYTNERK AAFVFSAASH VEDDPFGRER AAWQ 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.475 176.300 0.291 0.000 0.893 3 R CA 0.000 56.206 56.100 0.176 0.000 0.921 3 R CB 0.000 30.430 30.300 0.216 0.000 0.687 4 T N -1.045 113.691 114.554 0.304 0.000 3.067 4 T HA 0.295 4.648 4.350 0.006 0.000 0.257 4 T C 0.806 175.763 174.700 0.429 0.000 1.105 4 T CA 0.332 62.637 62.100 0.342 0.000 1.104 4 T CB 0.185 69.147 68.868 0.157 0.000 0.925 4 T HN -0.011 nan 8.240 nan 0.000 0.498 5 V N 2.437 122.528 119.914 0.294 0.000 2.407 5 V HA 0.551 4.674 4.120 0.006 0.000 0.278 5 V C -0.248 175.937 176.094 0.151 0.000 1.037 5 V CA -0.802 61.649 62.300 0.252 0.000 0.900 5 V CB 1.384 33.302 31.823 0.157 0.000 0.983 5 V HN 0.259 nan 8.190 nan 0.000 0.459 6 V N 3.431 123.393 119.914 0.080 0.000 2.656 6 V HA 0.506 4.629 4.120 0.006 0.000 0.307 6 V C -0.435 175.577 176.094 -0.137 0.000 1.051 6 V CA -0.807 61.360 62.300 -0.222 0.000 0.893 6 V CB 2.142 33.466 31.823 -0.831 0.000 0.999 6 V HN 0.902 nan 8.190 nan 0.000 0.426 7 E N 3.029 123.128 120.200 -0.168 0.000 2.134 7 E HA 0.588 4.941 4.350 0.006 0.000 0.278 7 E C -0.027 176.494 176.600 -0.133 0.000 0.959 7 E CA -0.223 56.121 56.400 -0.094 0.000 0.783 7 E CB 1.408 31.055 29.700 -0.088 0.000 1.095 7 E HN 0.926 nan 8.360 nan 0.000 0.399 8 T N 1.500 116.024 114.554 -0.050 0.000 2.870 8 T HA 0.433 4.786 4.350 0.006 0.000 0.277 8 T C 0.990 175.580 174.700 -0.184 0.000 1.000 8 T CA -0.749 61.317 62.100 -0.055 0.000 0.982 8 T CB 0.987 69.982 68.868 0.212 0.000 1.249 8 T HN 0.407 nan 8.240 nan 0.000 0.589 9 R N -0.489 119.826 120.500 -0.308 0.000 2.189 9 R HA -0.009 4.334 4.340 0.006 0.000 0.223 9 R C 1.136 177.030 176.300 -0.676 0.000 1.092 9 R CA 1.165 56.949 56.100 -0.526 0.000 0.989 9 R CB -0.519 29.342 30.300 -0.732 0.000 0.876 9 R HN 0.720 nan 8.270 nan 0.000 0.457 10 Y N -0.611 119.509 120.300 -0.299 0.000 2.458 10 Y HA 0.359 4.913 4.550 0.007 0.000 0.256 10 Y C 1.289 176.489 175.900 -1.167 0.000 1.159 10 Y CA 0.228 57.995 58.100 -0.556 0.000 1.261 10 Y CB 1.008 39.213 38.460 -0.425 0.000 1.119 10 Y HN 0.138 nan 8.280 nan 0.000 0.524 11 G N 0.165 108.538 108.800 -0.711 0.000 2.369 11 G HA2 0.098 4.061 3.960 0.006 0.000 0.307 11 G HA3 0.098 4.061 3.960 0.006 0.000 0.307 11 G C -1.438 173.458 174.900 -0.006 0.000 1.327 11 G CA -1.400 43.278 45.100 -0.703 0.000 0.963 11 G HN -0.020 nan 8.290 nan 0.000 0.590 12 R N -0.857 119.822 120.500 0.299 0.000 2.459 12 R HA 0.693 5.037 4.340 0.006 0.000 0.281 12 R C -0.335 176.298 176.300 0.556 0.000 1.050 12 R CA -0.358 55.954 56.100 0.354 0.000 1.055 12 R CB 0.898 31.339 30.300 0.234 0.000 1.045 12 R HN 0.402 nan 8.270 nan 0.000 0.495 13 L N 2.200 123.673 121.223 0.416 0.000 2.386 13 L HA 0.509 4.853 4.340 0.006 0.000 0.271 13 L C -0.197 176.934 176.870 0.435 0.000 0.993 13 L CA -0.707 54.395 54.840 0.436 0.000 0.819 13 L CB 2.117 44.486 42.059 0.517 0.000 1.294 13 L HN 0.431 nan 8.230 nan 0.000 0.414 14 R N 1.555 122.265 120.500 0.352 0.000 2.229 14 R HA 0.591 4.934 4.340 0.006 0.000 0.332 14 R C -0.047 176.385 176.300 0.221 0.000 0.989 14 R CA -0.243 56.030 56.100 0.287 0.000 0.842 14 R CB 1.339 31.725 30.300 0.143 0.000 1.119 14 R HN 0.821 nan 8.270 nan 0.000 0.456 15 G N 2.273 111.131 108.800 0.097 0.000 2.606 15 G HA2 0.324 4.288 3.960 0.006 0.000 0.262 15 G HA3 0.324 4.288 3.960 0.006 0.000 0.262 15 G C -0.838 173.837 174.900 -0.375 0.000 1.394 15 G CA -0.336 44.445 45.100 -0.533 0.000 1.044 15 G HN 0.659 nan 8.290 nan 0.000 0.553 16 E N -1.758 118.140 120.200 -0.504 0.000 2.429 16 E HA 0.507 4.861 4.350 0.006 0.000 0.276 16 E C -1.448 174.899 176.600 -0.422 0.000 0.953 16 E CA -1.187 55.002 56.400 -0.351 0.000 0.787 16 E CB 1.824 31.356 29.700 -0.279 0.000 1.307 16 E HN 0.342 nan 8.360 nan 0.000 0.458 17 M N 2.065 121.439 119.600 -0.376 0.000 2.233 17 M HA 0.413 4.896 4.480 0.006 0.000 0.355 17 M C -1.273 174.857 176.300 -0.283 0.000 1.191 17 M CA -0.020 55.005 55.300 -0.460 0.000 1.101 17 M CB 0.453 32.798 32.600 -0.427 0.000 1.592 17 M HN 0.619 nan 8.290 nan 0.000 0.461 18 N N 2.179 120.739 118.700 -0.233 0.000 2.503 18 N HA 0.253 4.997 4.740 0.006 0.000 0.287 18 N C -1.388 174.091 175.510 -0.050 0.000 1.096 18 N CA -0.099 52.891 53.050 -0.101 0.000 0.936 18 N CB 0.981 39.450 38.487 -0.030 0.000 1.570 18 N HN 0.825 nan 8.380 nan 0.000 0.504 19 E N 2.464 122.638 120.200 -0.044 0.000 2.494 19 E HA -0.280 4.073 4.350 0.006 0.000 0.249 19 E C 0.591 177.173 176.600 -0.029 0.000 1.184 19 E CA 1.067 57.450 56.400 -0.028 0.000 0.727 19 E CB -1.376 28.320 29.700 -0.005 0.000 1.281 19 E HN 1.097 nan 8.360 nan 0.000 0.405 20 G N -1.694 107.067 108.800 -0.065 0.000 2.199 20 G HA2 -0.350 3.614 3.960 0.006 0.000 0.254 20 G HA3 -0.350 3.614 3.960 0.006 0.000 0.254 20 G C 0.403 175.296 174.900 -0.012 0.000 0.982 20 G CA 0.550 45.623 45.100 -0.045 0.000 0.632 20 G HN 0.866 nan 8.290 nan 0.000 0.529 21 V N -2.633 117.278 119.914 -0.005 0.000 3.103 21 V HA 0.952 5.075 4.120 0.006 0.000 0.318 21 V C 0.048 176.132 176.094 -0.016 0.000 1.114 21 V CA -1.974 60.419 62.300 0.154 0.000 1.020 21 V CB 1.575 33.555 31.823 0.262 0.000 1.085 21 V HN 0.296 nan 8.190 nan 0.000 0.446 22 F N 0.816 120.790 119.950 0.039 0.000 2.425 22 F HA 0.825 5.355 4.527 0.005 0.000 0.331 22 F C 0.178 175.788 175.800 -0.317 0.000 1.085 22 F CA -0.789 57.072 58.000 -0.232 0.000 1.028 22 F CB 1.838 40.665 39.000 -0.287 0.000 1.177 22 F HN 0.532 nan 8.300 nan 0.000 0.487 23 V N 3.329 122.926 119.914 -0.528 0.000 2.888 23 V HA 0.540 4.663 4.120 0.006 0.000 0.309 23 V C -2.026 173.662 176.094 -0.678 0.000 1.114 23 V CA -0.678 61.300 62.300 -0.537 0.000 0.940 23 V CB 2.034 33.501 31.823 -0.593 0.000 1.021 23 V HN 0.743 nan 8.190 nan 0.000 0.426 24 W N 5.877 127.054 121.300 -0.205 0.000 2.475 24 W HA 0.563 5.226 4.660 0.005 0.000 0.320 24 W C -0.418 175.958 176.519 -0.238 0.000 1.022 24 W CA -0.810 56.475 57.345 -0.100 0.000 1.240 24 W CB 2.242 31.774 29.460 0.120 0.000 1.328 24 W HN 0.488 nan 8.180 nan 0.000 0.439 25 K N 0.712 121.046 120.400 -0.111 0.000 2.156 25 K HA 0.585 4.908 4.320 0.006 0.000 0.254 25 K C 0.632 177.208 176.600 -0.040 0.000 0.950 25 K CA -0.829 55.358 56.287 -0.168 0.000 0.849 25 K CB 1.861 34.011 32.500 -0.583 0.000 1.100 25 K HN 0.596 nan 8.250 nan 0.000 0.434 26 G N 2.168 111.004 108.800 0.061 0.000 2.314 26 G HA2 -0.250 3.714 3.960 0.006 0.000 0.292 26 G HA3 -0.250 3.714 3.960 0.006 0.000 0.292 26 G C -0.179 174.825 174.900 0.173 0.000 1.059 26 G CA -0.239 44.879 45.100 0.028 0.000 0.982 26 G HN 0.510 nan 8.290 nan 0.000 0.505 27 I N 2.007 122.676 120.570 0.166 0.000 2.325 27 I HA 0.252 4.425 4.170 0.006 0.000 0.291 27 I C -1.524 174.602 176.117 0.015 0.000 1.019 27 I CA -2.325 59.018 61.300 0.073 0.000 1.302 27 I CB 1.439 39.375 38.000 -0.107 0.000 1.401 27 I HN 0.010 nan 8.210 nan 0.000 0.485 28 P HA 0.030 nan 4.420 nan 0.000 0.276 28 P C -0.575 176.504 177.300 -0.368 0.000 1.243 28 P CA 0.071 62.944 63.100 -0.379 0.000 0.768 28 P CB 0.362 31.881 31.700 -0.303 0.000 0.856 29 Y N 2.265 122.273 120.300 -0.486 0.000 2.467 29 Y HA 0.699 5.253 4.550 0.008 0.000 0.250 29 Y C 0.141 175.923 175.900 -0.197 0.000 1.155 29 Y CA -0.666 57.141 58.100 -0.488 0.000 1.249 29 Y CB 0.325 38.509 38.460 -0.459 0.000 1.146 29 Y HN 0.442 nan 8.280 nan 0.000 0.524 30 A N 0.711 123.235 122.820 -0.493 0.000 2.612 30 A HA 0.467 4.790 4.320 0.006 0.000 0.293 30 A C -1.450 175.932 177.584 -0.336 0.000 1.075 30 A CA -1.254 50.586 52.037 -0.327 0.000 0.680 30 A CB 1.051 19.848 19.000 -0.340 0.000 1.279 30 A HN 0.191 nan 8.150 nan 0.000 0.411 31 K N 1.211 121.497 120.400 -0.190 0.000 2.401 31 K HA 0.499 4.822 4.320 0.006 0.000 0.278 31 K C 0.474 176.960 176.600 -0.189 0.000 1.018 31 K CA 0.277 56.473 56.287 -0.151 0.000 0.981 31 K CB 0.658 33.117 32.500 -0.068 0.000 0.933 31 K HN 1.182 nan 8.250 nan 0.000 0.477 32 A N 6.015 128.725 122.820 -0.183 0.000 2.561 32 A HA 0.089 4.412 4.320 0.006 0.000 0.251 32 A C -1.865 175.642 177.584 -0.128 0.000 1.062 32 A CA -0.816 51.116 52.037 -0.175 0.000 0.761 32 A CB -0.309 18.619 19.000 -0.120 0.000 0.986 32 A HN 0.650 nan 8.150 nan 0.000 0.510 33 P HA 0.186 nan 4.420 nan 0.000 0.218 33 P C -0.189 177.052 177.300 -0.100 0.000 1.793 33 P CA 0.116 63.155 63.100 -0.102 0.000 0.941 33 P CB -0.662 30.975 31.700 -0.105 0.000 1.919 34 V N -3.120 116.745 119.914 -0.081 0.000 3.093 34 V HA 0.882 5.006 4.120 0.006 0.000 0.320 34 V C 1.083 177.157 176.094 -0.035 0.000 1.093 34 V CA 0.095 62.352 62.300 -0.070 0.000 1.016 34 V CB 0.672 32.454 31.823 -0.068 0.000 1.096 34 V HN 0.509 nan 8.190 nan 0.000 0.452 35 G N 1.261 110.048 108.800 -0.021 0.000 2.629 35 G HA2 -0.376 3.587 3.960 0.006 0.000 0.313 35 G HA3 -0.376 3.587 3.960 0.006 0.000 0.313 35 G C 0.676 175.594 174.900 0.030 0.000 1.217 35 G CA 1.095 46.199 45.100 0.006 0.000 0.994 35 G HN 1.166 nan 8.290 nan 0.000 0.549 36 E N 1.025 121.249 120.200 0.039 0.000 2.418 36 E HA 0.112 4.466 4.350 0.006 0.000 0.197 36 E C 2.562 179.205 176.600 0.072 0.000 1.026 36 E CA 0.879 57.319 56.400 0.068 0.000 0.862 36 E CB -0.074 29.659 29.700 0.055 0.000 0.799 36 E HN 0.520 nan 8.360 nan 0.000 0.518 37 R N -0.142 120.380 120.500 0.036 0.000 2.334 37 R HA 0.162 4.505 4.340 0.006 0.000 0.216 37 R C 0.596 176.909 176.300 0.021 0.000 0.905 37 R CA -0.251 55.863 56.100 0.024 0.000 1.064 37 R CB 0.218 30.511 30.300 -0.010 0.000 1.046 37 R HN -0.073 nan 8.270 nan 0.000 0.508 38 R N 0.747 121.256 120.500 0.016 0.000 2.537 38 R HA -0.067 4.276 4.340 0.006 0.000 0.280 38 R C -0.456 175.882 176.300 0.064 0.000 1.058 38 R CA 0.445 56.485 56.100 -0.100 0.000 1.057 38 R CB 0.138 30.320 30.300 -0.197 0.000 0.973 38 R HN 0.204 nan 8.270 nan 0.000 0.438 39 F N 1.044 121.067 119.950 0.122 0.000 2.953 39 F HA -0.292 4.239 4.527 0.005 0.000 0.292 39 F C -0.424 175.470 175.800 0.157 0.000 0.747 39 F CA 0.024 58.109 58.000 0.141 0.000 1.222 39 F CB -1.118 37.971 39.000 0.147 0.000 1.457 39 F HN 0.404 nan 8.300 nan 0.000 0.383 40 L N -0.059 121.280 121.223 0.194 0.000 2.330 40 L HA 0.569 4.913 4.340 0.006 0.000 0.271 40 L C -1.979 174.914 176.870 0.037 0.000 1.013 40 L CA -2.078 52.803 54.840 0.068 0.000 0.816 40 L CB 1.367 43.431 42.059 0.008 0.000 1.287 40 L HN -0.390 nan 8.230 nan 0.000 0.435 41 P HA 0.030 nan 4.420 nan 0.000 0.269 41 P C -2.468 174.841 177.300 0.015 0.000 1.211 41 P CA -0.598 62.512 63.100 0.017 0.000 0.781 41 P CB -0.255 31.452 31.700 0.012 0.000 0.877 42 P HA 0.133 nan 4.420 nan 0.000 0.271 42 P C -0.674 176.642 177.300 0.027 0.000 1.216 42 P CA 0.253 63.363 63.100 0.017 0.000 0.776 42 P CB 0.928 32.663 31.700 0.058 0.000 0.881 43 E N 3.304 123.506 120.200 0.003 0.000 2.221 43 E HA 0.421 4.774 4.350 0.006 0.000 0.268 43 E C -2.372 174.246 176.600 0.030 0.000 0.933 43 E CA -2.470 53.944 56.400 0.023 0.000 0.809 43 E CB 0.716 30.423 29.700 0.011 0.000 1.190 43 E HN 0.339 nan 8.360 nan 0.000 0.406 44 P HA -0.004 nan 4.420 nan 0.000 0.265 44 P C -2.393 174.928 177.300 0.036 0.000 1.193 44 P CA -0.643 62.525 63.100 0.113 0.000 0.765 44 P CB -0.089 31.735 31.700 0.208 0.000 0.823 45 P HA 0.073 nan 4.420 nan 0.000 0.274 45 P C -0.642 176.682 177.300 0.040 0.000 1.237 45 P CA 0.033 63.064 63.100 -0.115 0.000 0.793 45 P CB 0.770 32.320 31.700 -0.250 0.000 0.977 46 D N 0.044 120.516 120.400 0.119 0.000 2.350 46 D HA 0.295 4.939 4.640 0.006 0.000 0.249 46 D C 0.479 176.952 176.300 0.289 0.000 1.119 46 D CA 0.166 54.281 54.000 0.192 0.000 0.886 46 D CB 1.188 42.080 40.800 0.154 0.000 1.195 46 D HN 0.370 nan 8.370 nan 0.000 0.437 47 A N 2.295 125.249 122.820 0.223 0.000 2.346 47 A HA 0.464 4.787 4.320 0.006 0.000 0.252 47 A C -0.634 177.023 177.584 0.122 0.000 1.089 47 A CA -0.258 51.804 52.037 0.041 0.000 0.797 47 A CB 0.230 19.189 19.000 -0.068 0.000 1.047 47 A HN 0.645 nan 8.150 nan 0.000 0.494 48 W N -0.364 121.021 121.300 0.141 0.000 3.031 48 W HA 0.699 5.363 4.660 0.006 0.000 0.337 48 W C -1.542 175.027 176.519 0.083 0.000 1.187 48 W CA -1.037 56.367 57.345 0.099 0.000 1.166 48 W CB 0.319 29.839 29.460 0.100 0.000 1.437 48 W HN 0.551 nan 8.180 nan 0.000 0.551 49 D N 0.493 121.087 120.400 0.323 0.000 2.229 49 D HA 0.583 5.226 4.640 0.006 0.000 0.249 49 D C 0.699 177.188 176.300 0.315 0.000 1.027 49 D CA 1.237 55.367 54.000 0.217 0.000 0.923 49 D CB 1.518 42.398 40.800 0.134 0.000 1.174 49 D HN 0.960 nan 8.370 nan 0.000 0.443 50 G N -0.456 108.479 108.800 0.225 0.000 2.741 50 G HA2 -0.158 3.805 3.960 0.006 0.000 0.222 50 G HA3 -0.158 3.805 3.960 0.006 0.000 0.222 50 G C -0.800 174.278 174.900 0.296 0.000 1.364 50 G CA -0.560 44.666 45.100 0.209 0.000 0.866 50 G HN 0.556 nan 8.290 nan 0.000 0.555 51 V N 1.387 121.428 119.914 0.211 0.000 2.364 51 V HA 0.511 4.635 4.120 0.006 0.000 0.272 51 V C 1.038 177.215 176.094 0.138 0.000 1.036 51 V CA -0.148 62.286 62.300 0.224 0.000 0.880 51 V CB 1.190 33.108 31.823 0.158 0.000 0.991 51 V HN 0.850 nan 8.190 nan 0.000 0.460 52 R N 3.829 124.392 120.500 0.105 0.000 2.390 52 R HA 0.222 4.565 4.340 0.006 0.000 0.291 52 R C -0.120 176.151 176.300 -0.049 0.000 1.070 52 R CA -0.578 55.413 56.100 -0.182 0.000 1.014 52 R CB 0.668 30.514 30.300 -0.756 0.000 1.007 52 R HN 0.621 nan 8.270 nan 0.000 0.466 53 E N 2.570 122.725 120.200 -0.075 0.000 2.344 53 E HA 0.117 4.470 4.350 0.006 0.000 0.270 53 E C -0.616 175.962 176.600 -0.037 0.000 1.021 53 E CA 0.179 56.558 56.400 -0.035 0.000 0.887 53 E CB 1.653 31.317 29.700 -0.060 0.000 0.997 53 E HN 0.670 nan 8.360 nan 0.000 0.429 54 A N 2.373 125.206 122.820 0.021 0.000 3.129 54 A HA 0.167 4.490 4.320 0.006 0.000 0.282 54 A C 0.810 178.351 177.584 -0.072 0.000 0.948 54 A CA -0.317 51.739 52.037 0.033 0.000 1.027 54 A CB -0.182 18.965 19.000 0.246 0.000 1.123 54 A HN 0.512 nan 8.150 nan 0.000 0.485 55 T N -3.506 110.966 114.554 -0.138 0.000 3.023 55 T HA 0.320 4.673 4.350 0.006 0.000 0.253 55 T C 0.567 175.093 174.700 -0.290 0.000 1.038 55 T CA 0.359 62.331 62.100 -0.213 0.000 0.962 55 T CB 0.144 68.914 68.868 -0.164 0.000 1.018 55 T HN 0.182 nan 8.240 nan 0.000 0.521 56 S N 0.412 115.950 115.700 -0.270 0.000 2.526 56 S HA 0.655 5.128 4.470 0.006 0.000 0.293 56 S C -0.808 173.623 174.600 -0.281 0.000 1.092 56 S CA -0.853 57.167 58.200 -0.300 0.000 0.980 56 S CB 1.158 64.245 63.200 -0.187 0.000 1.048 56 S HN 0.365 nan 8.310 nan 0.000 0.483 57 F N 1.579 121.439 119.950 -0.150 0.000 2.506 57 F HA 0.376 4.906 4.527 0.004 0.000 0.351 57 F C 1.567 177.199 175.800 -0.281 0.000 1.136 57 F CA 0.077 57.971 58.000 -0.176 0.000 1.298 57 F CB 0.505 39.428 39.000 -0.128 0.000 1.145 57 F HN 0.674 nan 8.300 nan 0.000 0.593 58 G N 2.047 110.729 108.800 -0.196 0.000 2.528 58 G HA2 0.457 4.421 3.960 0.006 0.000 0.289 58 G HA3 0.457 4.421 3.960 0.006 0.000 0.289 58 G C -2.645 172.040 174.900 -0.359 0.000 1.192 58 G CA -1.360 43.353 45.100 -0.645 0.000 0.921 58 G HN 0.358 nan 8.290 nan 0.000 0.512 59 P HA 0.183 nan 4.420 nan 0.000 0.272 59 P C 0.418 177.654 177.300 -0.106 0.000 1.230 59 P CA -0.176 62.824 63.100 -0.167 0.000 0.788 59 P CB 1.083 32.705 31.700 -0.130 0.000 0.949 60 V N 0.529 120.377 119.914 -0.110 0.000 3.083 60 V HA 0.326 4.450 4.120 0.006 0.000 0.306 60 V C 0.907 176.946 176.094 -0.090 0.000 1.077 60 V CA -0.757 61.482 62.300 -0.102 0.000 1.073 60 V CB 0.517 32.253 31.823 -0.146 0.000 1.081 60 V HN 0.479 nan 8.190 nan 0.000 0.474 61 V N 1.133 120.996 119.914 -0.086 0.000 3.237 61 V HA 0.308 4.431 4.120 0.006 0.000 0.305 61 V C 0.752 176.757 176.094 -0.149 0.000 1.096 61 V CA -0.929 61.301 62.300 -0.117 0.000 1.130 61 V CB 0.269 32.039 31.823 -0.088 0.000 1.048 61 V HN 0.895 nan 8.190 nan 0.000 0.484 62 M N 3.856 123.297 119.600 -0.265 0.000 2.290 62 M HA 0.239 4.722 4.480 0.006 0.000 0.356 62 M C 0.007 176.275 176.300 -0.054 0.000 1.448 62 M CA 1.151 56.289 55.300 -0.269 0.000 0.993 62 M CB -0.767 31.394 32.600 -0.732 0.000 1.934 62 M HN 1.155 nan 8.290 nan 0.000 0.461 63 Q N 3.953 123.749 119.800 -0.007 0.000 2.702 63 Q HA 0.566 4.909 4.340 0.006 0.000 0.289 63 Q C -3.019 173.007 176.000 0.042 0.000 0.923 63 Q CA -1.639 54.200 55.803 0.060 0.000 0.787 63 Q CB 1.441 30.223 28.738 0.072 0.000 1.476 63 Q HN 0.395 nan 8.270 nan 0.000 0.402 64 P HA 0.109 nan 4.420 nan 0.000 0.266 64 P C -0.556 176.721 177.300 -0.038 0.000 1.215 64 P CA 0.778 63.894 63.100 0.027 0.000 0.763 64 P CB 0.831 32.562 31.700 0.052 0.000 0.806 78 E N 0.911 121.066 120.200 -0.076 0.000 2.816 78 E HA 0.626 4.980 4.350 0.006 0.000 0.260 78 E C 0.640 177.188 176.600 -0.087 0.000 1.414 78 E CA -0.416 55.936 56.400 -0.081 0.000 1.074 78 E CB 0.453 30.099 29.700 -0.090 0.000 1.123 78 E HN 0.894 nan 8.360 nan 0.000 0.664 79 A N 0.932 123.702 122.820 -0.083 0.000 2.303 79 A HA 0.437 4.760 4.320 0.006 0.000 0.317 79 A C -2.283 175.244 177.584 -0.095 0.000 1.149 79 A CA -1.509 50.478 52.037 -0.084 0.000 0.822 79 A CB 0.090 19.048 19.000 -0.071 0.000 1.131 79 A HN 0.262 nan 8.150 nan 0.000 0.493 80 P HA 0.190 nan 4.420 nan 0.000 0.266 80 P C -0.258 176.965 177.300 -0.129 0.000 1.193 80 P CA 0.457 63.489 63.100 -0.113 0.000 0.770 80 P CB 0.723 32.360 31.700 -0.105 0.000 0.836 81 S N 0.593 116.204 115.700 -0.150 0.000 2.579 81 S HA 0.203 4.676 4.470 0.006 0.000 0.272 81 S C 0.661 175.119 174.600 -0.236 0.000 1.141 81 S CA -0.646 57.453 58.200 -0.170 0.000 0.843 81 S CB 1.134 64.269 63.200 -0.109 0.000 1.122 81 S HN 0.399 nan 8.310 nan 0.000 0.468 82 E N 0.793 120.815 120.200 -0.298 0.000 2.268 82 E HA -0.083 4.270 4.350 0.006 0.000 0.195 82 E C -0.321 176.155 176.600 -0.206 0.000 0.995 82 E CA 0.602 56.785 56.400 -0.361 0.000 0.836 82 E CB 0.066 29.552 29.700 -0.357 0.000 0.763 82 E HN 0.530 nan 8.360 nan 0.000 0.491 83 D N 0.064 120.388 120.400 -0.128 0.000 2.558 83 D HA 0.082 4.725 4.640 0.006 0.000 0.221 83 D C 0.143 176.491 176.300 0.079 0.000 1.143 83 D CA -0.120 53.848 54.000 -0.052 0.000 1.010 83 D CB 0.198 40.992 40.800 -0.011 0.000 1.068 83 D HN 0.098 nan 8.370 nan 0.000 0.511 84 G N 2.370 111.181 108.800 0.019 0.000 4.299 84 G HA2 0.125 4.088 3.960 0.006 0.000 0.290 84 G HA3 0.125 4.088 3.960 0.006 0.000 0.290 84 G C 0.370 175.323 174.900 0.089 0.000 1.019 84 G CA -0.289 44.913 45.100 0.170 0.000 0.790 84 G HN 0.394 nan 8.290 nan 0.000 0.452 85 L N 2.008 123.042 121.223 -0.315 0.000 2.399 85 L HA 0.428 4.772 4.340 0.006 0.000 0.257 85 L C -0.664 175.706 176.870 -0.833 0.000 1.236 85 L CA -0.301 54.198 54.840 -0.568 0.000 1.144 85 L CB -0.597 40.949 42.059 -0.855 0.000 1.379 85 L HN 0.125 nan 8.230 nan 0.000 0.414 86 Y N 1.982 122.266 120.300 -0.027 0.000 2.570 86 Y HA 0.684 5.236 4.550 0.003 0.000 0.345 86 Y C -0.036 175.988 175.900 0.207 0.000 1.014 86 Y CA -1.223 56.911 58.100 0.056 0.000 1.063 86 Y CB 1.992 40.448 38.460 -0.006 0.000 1.272 86 Y HN 0.205 nan 8.280 nan 0.000 0.477 87 L N -0.375 120.996 121.223 0.246 0.000 2.327 87 L HA 0.783 5.126 4.340 0.006 0.000 0.258 87 L C -1.629 175.284 176.870 0.072 0.000 1.024 87 L CA -1.230 53.670 54.840 0.101 0.000 0.825 87 L CB 2.057 44.066 42.059 -0.083 0.000 1.386 87 L HN 0.593 nan 8.230 nan 0.000 0.417 88 N N 0.712 119.470 118.700 0.096 0.000 2.240 88 N HA 0.839 5.582 4.740 0.006 0.000 0.302 88 N C -1.449 174.069 175.510 0.012 0.000 1.106 88 N CA -0.585 52.478 53.050 0.022 0.000 0.778 88 N CB 2.675 41.202 38.487 0.065 0.000 1.431 88 N HN 0.609 nan 8.380 nan 0.000 0.479 89 I N 0.497 121.010 120.570 -0.095 0.000 2.533 89 I HA 0.420 4.594 4.170 0.006 0.000 0.290 89 I C -0.944 175.284 176.117 0.186 0.000 1.056 89 I CA -0.641 60.737 61.300 0.131 0.000 1.057 89 I CB 1.829 39.832 38.000 0.004 0.000 1.240 89 I HN 0.335 nan 8.210 nan 0.000 0.423 90 W N 4.159 125.693 121.300 0.390 0.000 2.656 90 W HA 0.602 5.266 4.660 0.005 0.000 0.327 90 W C -0.119 176.647 176.519 0.412 0.000 1.041 90 W CA -0.631 56.945 57.345 0.385 0.000 1.229 90 W CB 2.236 31.874 29.460 0.297 0.000 1.397 90 W HN 0.392 nan 8.180 nan 0.000 0.479 91 S N 2.951 119.052 115.700 0.669 0.000 2.537 91 S HA 0.438 4.911 4.470 0.006 0.000 0.270 91 S C -2.190 172.706 174.600 0.494 0.000 1.142 91 S CA -1.225 57.299 58.200 0.540 0.000 0.870 91 S CB 2.152 65.687 63.200 0.559 0.000 1.112 91 S HN 0.088 nan 8.310 nan 0.000 0.466 92 P HA 0.243 nan 4.420 nan 0.000 0.221 92 P C -0.192 177.280 177.300 0.288 0.000 1.150 92 P CA 0.946 64.245 63.100 0.332 0.000 0.800 92 P CB 0.173 32.004 31.700 0.218 0.000 0.787 93 A N -1.731 121.135 122.820 0.077 0.000 2.585 93 A HA 0.612 4.935 4.320 0.006 0.000 0.299 93 A C -1.312 176.185 177.584 -0.145 0.000 1.047 93 A CA -0.336 51.509 52.037 -0.320 0.000 0.723 93 A CB 0.175 19.068 19.000 -0.179 0.000 1.275 93 A HN -0.038 nan 8.150 nan 0.000 0.408 94 A N 2.318 125.003 122.820 -0.224 0.000 2.666 94 A HA 0.583 4.906 4.320 0.006 0.000 0.312 94 A C 0.090 177.599 177.584 -0.125 0.000 1.471 94 A CA 0.732 52.703 52.037 -0.110 0.000 1.134 94 A CB -0.839 18.089 19.000 -0.119 0.000 1.129 94 A HN 1.153 nan 8.150 nan 0.000 0.539 95 D N 0.781 121.134 120.400 -0.079 0.000 3.402 95 D HA 0.539 5.183 4.640 0.006 0.000 0.287 95 D C 0.489 176.763 176.300 -0.043 0.000 1.365 95 D CA 0.280 54.244 54.000 -0.061 0.000 1.012 95 D CB 0.177 40.953 40.800 -0.040 0.000 1.325 95 D HN 0.227 nan 8.370 nan 0.000 0.627 96 G N -0.886 107.898 108.800 -0.026 0.000 4.637 96 G HA2 0.184 4.148 3.960 0.006 0.000 0.294 96 G HA3 0.184 4.148 3.960 0.006 0.000 0.294 96 G C 0.267 175.164 174.900 -0.005 0.000 1.215 96 G CA -0.515 44.573 45.100 -0.019 0.000 0.943 96 G HN 0.111 nan 8.290 nan 0.000 0.572 97 K N 0.893 121.297 120.400 0.007 0.000 2.487 97 K HA 0.104 4.427 4.320 0.006 0.000 0.192 97 K C 0.803 177.414 176.600 0.019 0.000 1.027 97 K CA -0.168 56.129 56.287 0.016 0.000 1.054 97 K CB 0.089 32.605 32.500 0.027 0.000 0.824 97 K HN 0.395 nan 8.250 nan 0.000 0.510 98 K N 1.830 122.241 120.400 0.019 0.000 3.689 98 K HA -0.213 4.110 4.320 0.006 0.000 0.276 98 K C -0.597 176.019 176.600 0.025 0.000 0.932 98 K CA 0.527 56.825 56.287 0.019 0.000 0.758 98 K CB -0.915 31.588 32.500 0.005 0.000 1.500 98 K HN 0.261 nan 8.250 nan 0.000 0.448 99 R N 0.276 120.802 120.500 0.044 0.000 2.560 99 R HA 0.260 4.603 4.340 0.006 0.000 0.270 99 R C -2.283 174.040 176.300 0.038 0.000 1.074 99 R CA -1.953 54.175 56.100 0.046 0.000 1.140 99 R CB 0.297 30.642 30.300 0.074 0.000 1.073 99 R HN -0.001 nan 8.270 nan 0.000 0.527 100 P HA -0.010 nan 4.420 nan 0.000 0.269 100 P C -0.911 176.401 177.300 0.021 0.000 1.215 100 P CA 0.021 63.116 63.100 -0.008 0.000 0.780 100 P CB 0.589 32.261 31.700 -0.048 0.000 0.898 101 V N 4.089 124.021 119.914 0.030 0.000 2.444 101 V HA 0.250 4.374 4.120 0.006 0.000 0.294 101 V C -0.238 175.902 176.094 0.077 0.000 1.022 101 V CA -0.533 61.820 62.300 0.088 0.000 0.850 101 V CB 1.350 33.254 31.823 0.134 0.000 0.992 101 V HN 0.289 nan 8.190 nan 0.000 0.426 102 L N 5.542 126.805 121.223 0.067 0.000 2.265 102 L HA 0.484 4.827 4.340 0.006 0.000 0.289 102 L C -0.584 176.529 176.870 0.405 0.000 1.033 102 L CA 0.114 54.974 54.840 0.034 0.000 0.814 102 L CB 0.921 42.771 42.059 -0.348 0.000 1.203 102 L HN 0.596 nan 8.230 nan 0.000 0.423 103 F N 4.356 124.516 119.950 0.351 0.000 2.332 103 F HA 0.325 4.856 4.527 0.006 0.000 0.368 103 F C -0.504 175.603 175.800 0.511 0.000 1.110 103 F CA -0.637 57.584 58.000 0.368 0.000 1.087 103 F CB 0.571 39.691 39.000 0.200 0.000 1.235 103 F HN 0.481 nan 8.300 nan 0.000 0.470 104 W N 9.360 130.667 121.300 0.010 0.000 2.338 104 W HA 0.519 5.182 4.660 0.005 0.000 0.307 104 W C -1.658 174.634 176.519 -0.378 0.000 1.167 104 W CA -0.819 56.360 57.345 -0.277 0.000 1.208 104 W CB 1.084 30.425 29.460 -0.198 0.000 1.228 104 W HN 0.331 nan 8.180 nan 0.000 0.499 105 I N 7.867 127.762 120.570 -1.124 0.000 2.382 105 I HA 0.072 4.245 4.170 0.006 0.000 0.285 105 I C 0.947 176.185 176.117 -1.466 0.000 1.007 105 I CA -0.819 59.910 61.300 -0.951 0.000 1.142 105 I CB 1.055 38.702 38.000 -0.587 0.000 1.289 105 I HN 0.403 nan 8.210 nan 0.000 0.453 106 H N 4.791 123.267 119.070 -0.990 0.000 2.671 106 H HA 0.462 5.021 4.556 0.005 0.000 0.372 106 H C -0.028 175.087 175.328 -0.356 0.000 1.227 106 H CA -0.435 55.163 56.048 -0.749 0.000 1.426 106 H CB 1.131 30.685 29.762 -0.346 0.000 1.480 106 H HN 0.619 nan 8.280 nan 0.000 0.611 107 G N -1.599 107.159 108.800 -0.070 0.000 2.671 107 G HA2 0.462 4.426 3.960 0.006 0.000 0.275 107 G HA3 0.462 4.426 3.960 0.006 0.000 0.275 107 G C 0.280 175.172 174.900 -0.014 0.000 1.368 107 G CA -0.764 44.254 45.100 -0.138 0.000 1.044 107 G HN 1.200 nan 8.290 nan 0.000 0.543 108 G N -2.785 105.874 108.800 -0.235 0.000 2.192 108 G HA2 0.384 4.347 3.960 0.006 0.000 0.152 108 G HA3 0.384 4.347 3.960 0.006 0.000 0.152 108 G C 0.674 175.160 174.900 -0.691 0.000 1.057 108 G CA 0.892 45.679 45.100 -0.521 0.000 0.748 108 G HN 2.279 nan 8.290 nan 0.000 0.488 109 A N -1.032 121.509 122.820 -0.466 0.000 2.799 109 A HA -0.081 4.242 4.320 0.006 0.000 0.287 109 A C 1.304 178.794 177.584 -0.156 0.000 1.484 109 A CA 1.523 53.383 52.037 -0.295 0.000 0.813 109 A CB -2.319 16.593 19.000 -0.147 0.000 1.009 109 A HN 1.979 nan 8.150 nan 0.000 0.545 110 F N -5.356 114.504 119.950 -0.151 0.000 3.069 110 F HA -0.294 4.235 4.527 0.004 0.000 0.285 110 F C 1.155 176.899 175.800 -0.094 0.000 0.827 110 F CA 1.146 59.072 58.000 -0.124 0.000 1.108 110 F CB -1.466 37.261 39.000 -0.456 0.000 1.252 110 F HN 0.553 nan 8.300 nan 0.000 0.483 111 L N -0.787 120.394 121.223 -0.070 0.000 2.586 111 L HA 0.430 4.773 4.340 0.006 0.000 0.204 111 L C 0.374 177.252 176.870 0.013 0.000 1.053 111 L CA 1.052 55.851 54.840 -0.069 0.000 0.856 111 L CB 0.299 42.349 42.059 -0.014 0.000 1.192 111 L HN 0.063 nan 8.230 nan 0.000 0.484 112 F N -1.240 118.732 119.950 0.037 0.000 2.692 112 F HA 0.879 5.409 4.527 0.004 0.000 0.320 112 F C 0.073 175.865 175.800 -0.013 0.000 1.123 112 F CA -0.821 57.173 58.000 -0.009 0.000 0.961 112 F CB 0.604 39.584 39.000 -0.034 0.000 1.383 112 F HN 0.212 nan 8.300 nan 0.000 0.483 113 G N 0.067 109.004 108.800 0.228 0.000 2.408 113 G HA2 0.498 4.462 3.960 0.006 0.000 0.682 113 G HA3 0.498 4.462 3.960 0.006 0.000 0.682 113 G C -1.307 173.244 174.900 -0.582 0.000 1.303 113 G CA -0.329 44.693 45.100 -0.130 0.000 0.966 113 G HN 1.924 nan 8.290 nan 0.000 0.560 114 S N -2.031 113.091 115.700 -0.963 0.000 2.565 114 S HA 0.650 5.123 4.470 0.006 0.000 0.274 114 S C 1.086 175.473 174.600 -0.355 0.000 1.144 114 S CA 0.692 58.483 58.200 -0.681 0.000 0.849 114 S CB 0.948 63.933 63.200 -0.359 0.000 1.103 114 S HN 2.339 nan 8.310 nan 0.000 0.455 115 G N 1.162 109.924 108.800 -0.064 0.000 2.598 115 G HA2 0.008 3.972 3.960 0.006 0.000 0.215 115 G HA3 0.008 3.972 3.960 0.006 0.000 0.215 115 G C 1.188 176.143 174.900 0.092 0.000 1.131 115 G CA 0.909 46.117 45.100 0.181 0.000 0.785 115 G HN 1.199 nan 8.290 nan 0.000 0.539 116 S N -0.282 115.269 115.700 -0.248 0.000 2.593 116 S HA 0.227 4.700 4.470 0.006 0.000 0.217 116 S C 1.182 175.361 174.600 -0.702 0.000 0.966 116 S CA 0.331 58.047 58.200 -0.808 0.000 0.914 116 S CB 0.022 62.474 63.200 -1.246 0.000 0.776 116 S HN 0.218 nan 8.310 nan 0.000 0.523 117 S N 3.576 118.996 115.700 -0.466 0.000 2.549 117 S HA 0.164 4.638 4.470 0.006 0.000 0.286 117 S C -0.952 173.283 174.600 -0.610 0.000 1.314 117 S CA -1.099 56.696 58.200 -0.675 0.000 1.062 117 S CB 0.768 63.383 63.200 -0.976 0.000 0.865 117 S HN 0.240 nan 8.310 nan 0.000 0.498 118 P HA -0.079 nan 4.420 nan 0.000 0.221 118 P C 0.840 177.969 177.300 -0.286 0.000 1.145 118 P CA 1.050 63.971 63.100 -0.299 0.000 0.795 118 P CB -0.123 31.455 31.700 -0.203 0.000 0.775 119 W N -0.685 120.210 121.300 -0.675 0.000 2.525 119 W HA -0.017 4.648 4.660 0.008 0.000 0.259 119 W C 1.563 177.508 176.519 -0.957 0.000 1.253 119 W CA 0.508 57.365 57.345 -0.813 0.000 1.262 119 W CB -1.917 26.981 29.460 -0.936 0.000 1.122 119 W HN 0.181 nan 8.180 nan 0.000 0.607 120 Y N -0.368 119.632 120.300 -0.500 0.000 2.584 120 Y HA 0.129 4.682 4.550 0.005 0.000 0.254 120 Y C 0.934 176.527 175.900 -0.512 0.000 1.177 120 Y CA -0.833 56.730 58.100 -0.896 0.000 1.216 120 Y CB -0.068 38.039 38.460 -0.588 0.000 1.172 120 Y HN -0.277 nan 8.280 nan 0.000 0.529 121 D N 1.557 121.775 120.400 -0.302 0.000 2.531 121 D HA -0.071 4.572 4.640 0.006 0.000 0.239 121 D C 1.127 177.036 176.300 -0.653 0.000 1.144 121 D CA 0.707 54.451 54.000 -0.427 0.000 0.869 121 D CB 1.522 42.225 40.800 -0.161 0.000 1.160 121 D HN 0.549 nan 8.370 nan 0.000 0.484 122 G N 2.929 110.718 108.800 -1.686 0.000 2.920 122 G HA2 -0.110 3.853 3.960 0.006 0.000 0.208 122 G HA3 -0.110 3.853 3.960 0.006 0.000 0.208 122 G C 1.438 176.000 174.900 -0.564 0.000 1.159 122 G CA 0.202 44.725 45.100 -0.961 0.000 0.784 122 G HN 0.521 nan 8.290 nan 0.000 0.535 123 T N 1.676 115.887 114.554 -0.572 0.000 2.635 123 T HA -0.166 4.187 4.350 0.006 0.000 0.267 123 T C 2.837 177.473 174.700 -0.106 0.000 1.040 123 T CA 1.684 63.711 62.100 -0.122 0.000 1.156 123 T CB -0.290 68.573 68.868 -0.008 0.000 0.863 123 T HN 0.375 nan 8.240 nan 0.000 0.430 124 A N 0.651 123.374 122.820 -0.163 0.000 1.877 124 A HA -0.025 4.298 4.320 0.006 0.000 0.216 124 A C 2.092 179.629 177.584 -0.080 0.000 1.186 124 A CA 1.418 53.286 52.037 -0.281 0.000 0.620 124 A CB -1.146 17.704 19.000 -0.249 0.000 0.822 124 A HN 0.522 nan 8.150 nan 0.000 0.443 125 F N 0.062 120.051 119.950 0.067 0.000 2.095 125 F HA -0.224 4.306 4.527 0.005 0.000 0.298 125 F C 2.896 178.684 175.800 -0.020 0.000 1.104 125 F CA 0.929 58.934 58.000 0.008 0.000 1.232 125 F CB -0.192 38.762 39.000 -0.077 0.000 0.987 125 F HN 0.307 nan 8.300 nan 0.000 0.475 126 A N -0.125 122.832 122.820 0.229 0.000 1.883 126 A HA -0.270 4.053 4.320 0.006 0.000 0.217 126 A C 2.149 179.815 177.584 0.136 0.000 1.186 126 A CA 2.068 54.227 52.037 0.204 0.000 0.624 126 A CB -0.759 18.412 19.000 0.284 0.000 0.822 126 A HN 0.378 nan 8.150 nan 0.000 0.444 127 K N -1.630 118.788 120.400 0.030 0.000 2.062 127 K HA -0.181 4.142 4.320 0.006 0.000 0.205 127 K C 1.863 178.477 176.600 0.023 0.000 1.051 127 K CA 1.467 57.734 56.287 -0.035 0.000 0.941 127 K CB -0.241 32.136 32.500 -0.205 0.000 0.719 127 K HN 0.604 nan 8.250 nan 0.000 0.440 128 H N -1.463 117.682 119.070 0.125 0.000 2.482 128 H HA 0.097 4.656 4.556 0.006 0.000 0.286 128 H C 1.772 177.190 175.328 0.150 0.000 1.017 128 H CA 1.317 57.454 56.048 0.148 0.000 1.322 128 H CB 0.330 30.170 29.762 0.129 0.000 1.426 128 H HN 0.425 nan 8.280 nan 0.000 0.546 129 G N -0.391 108.528 108.800 0.198 0.000 3.062 129 G HA2 -0.001 3.963 3.960 0.006 0.000 0.228 129 G HA3 -0.001 3.963 3.960 0.006 0.000 0.228 129 G C -0.325 174.642 174.900 0.112 0.000 1.094 129 G CA 0.326 45.508 45.100 0.136 0.000 0.782 129 G HN 0.283 nan 8.290 nan 0.000 0.541 130 D N -0.307 120.169 120.400 0.127 0.000 2.718 130 D HA -0.165 4.478 4.640 0.006 0.000 0.242 130 D C 0.193 176.555 176.300 0.102 0.000 1.123 130 D CA 0.858 54.928 54.000 0.118 0.000 0.690 130 D CB -1.400 39.461 40.800 0.102 0.000 1.059 130 D HN 0.708 nan 8.370 nan 0.000 0.429 131 V N -3.214 116.766 119.914 0.111 0.000 3.113 131 V HA 0.869 4.993 4.120 0.006 0.000 0.316 131 V C 0.407 176.595 176.094 0.156 0.000 1.125 131 V CA -0.919 61.435 62.300 0.089 0.000 1.026 131 V CB 2.242 34.070 31.823 0.008 0.000 1.080 131 V HN -0.018 nan 8.190 nan 0.000 0.444 132 V N 1.552 121.562 119.914 0.160 0.000 2.472 132 V HA 0.610 4.733 4.120 0.006 0.000 0.290 132 V C -0.138 176.108 176.094 0.253 0.000 1.037 132 V CA -0.368 62.080 62.300 0.247 0.000 0.908 132 V CB 1.548 33.512 31.823 0.235 0.000 0.985 132 V HN 0.768 nan 8.190 nan 0.000 0.454 133 V N 5.008 125.150 119.914 0.380 0.000 2.555 133 V HA 0.589 4.713 4.120 0.006 0.000 0.302 133 V C -0.440 175.979 176.094 0.541 0.000 1.038 133 V CA -0.557 61.994 62.300 0.417 0.000 0.887 133 V CB 2.083 34.160 31.823 0.422 0.000 0.991 133 V HN 0.596 nan 8.190 nan 0.000 0.434 134 V N 3.474 123.668 119.914 0.465 0.000 2.531 134 V HA 0.691 4.814 4.120 0.006 0.000 0.301 134 V C -0.001 176.280 176.094 0.311 0.000 1.034 134 V CA -0.432 62.100 62.300 0.388 0.000 0.865 134 V CB 2.284 34.303 31.823 0.326 0.000 0.995 134 V HN 1.034 nan 8.190 nan 0.000 0.424 135 T N 3.153 117.924 114.554 0.360 0.000 2.863 135 T HA 0.879 5.232 4.350 0.006 0.000 0.285 135 T C -0.590 174.183 174.700 0.123 0.000 1.009 135 T CA -0.615 61.667 62.100 0.304 0.000 0.989 135 T CB 1.926 71.114 68.868 0.534 0.000 1.004 135 T HN 0.761 nan 8.240 nan 0.000 0.455 136 I N -0.448 120.132 120.570 0.017 0.000 3.108 136 I HA 0.751 4.924 4.170 0.006 0.000 0.312 136 I C -1.276 174.958 176.117 0.194 0.000 1.095 136 I CA -1.350 59.975 61.300 0.042 0.000 1.000 136 I CB 2.368 40.278 38.000 -0.150 0.000 1.229 136 I HN 0.427 nan 8.210 nan 0.000 0.454 137 N N 1.451 120.299 118.700 0.246 0.000 2.384 137 N HA 0.637 5.380 4.740 0.006 0.000 0.301 137 N C -1.607 174.085 175.510 0.302 0.000 1.133 137 N CA -0.309 52.864 53.050 0.205 0.000 0.853 137 N CB 1.640 40.222 38.487 0.159 0.000 1.241 137 N HN 0.729 nan 8.380 nan 0.000 0.502 138 Y N -2.384 118.051 120.300 0.225 0.000 2.552 138 Y HA 0.516 5.070 4.550 0.007 0.000 0.337 138 Y C -0.196 175.801 175.900 0.161 0.000 1.094 138 Y CA -1.265 56.950 58.100 0.191 0.000 1.028 138 Y CB 0.859 39.405 38.460 0.143 0.000 1.321 138 Y HN 0.188 nan 8.280 nan 0.000 0.456 139 R N 2.751 123.394 120.500 0.238 0.000 2.585 139 R HA 0.351 4.694 4.340 0.006 0.000 0.275 139 R C -0.560 175.908 176.300 0.281 0.000 1.018 139 R CA 0.538 56.727 56.100 0.148 0.000 1.072 139 R CB 0.352 30.696 30.300 0.074 0.000 0.953 139 R HN 0.810 nan 8.270 nan 0.000 0.419 140 M N 1.418 121.173 119.600 0.257 0.000 2.788 140 M HA 0.214 4.697 4.480 0.006 0.000 0.291 140 M C 0.609 177.067 176.300 0.264 0.000 1.213 140 M CA -0.808 54.733 55.300 0.402 0.000 0.768 140 M CB 1.706 34.448 32.600 0.236 0.000 1.766 140 M HN 0.814 nan 8.290 nan 0.000 0.460 141 N N -0.554 118.159 118.700 0.021 0.000 1.099 141 N HA -0.291 4.452 4.740 0.006 0.000 0.125 141 N C 0.435 175.749 175.510 -0.327 0.000 0.649 141 N CA 1.642 54.213 53.050 -0.798 0.000 0.865 141 N CB -1.348 36.730 38.487 -0.681 0.000 1.240 141 N HN 0.408 nan 8.380 nan 0.000 0.580 142 V N -1.002 118.785 119.914 -0.212 0.000 3.078 142 V HA 0.054 4.178 4.120 0.006 0.000 0.265 142 V C 1.239 177.238 176.094 -0.160 0.000 1.122 142 V CA 1.727 63.992 62.300 -0.058 0.000 1.141 142 V CB -0.925 30.787 31.823 -0.184 0.000 0.735 142 V HN 0.512 nan 8.190 nan 0.000 0.498 143 F N -0.034 119.973 119.950 0.095 0.000 2.530 143 F HA 0.330 4.857 4.527 -0.000 0.000 0.292 143 F C 2.203 178.009 175.800 0.011 0.000 1.109 143 F CA 0.908 58.900 58.000 -0.012 0.000 1.450 143 F CB -0.293 38.627 39.000 -0.133 0.000 1.114 143 F HN 0.210 nan 8.300 nan 0.000 0.560 144 G N -1.783 107.108 108.800 0.152 0.000 2.850 144 G HA2 0.085 4.048 3.960 0.006 0.000 0.211 144 G HA3 0.085 4.048 3.960 0.006 0.000 0.211 144 G C 0.365 174.901 174.900 -0.607 0.000 1.124 144 G CA 0.142 45.133 45.100 -0.182 0.000 0.769 144 G HN 0.265 nan 8.290 nan 0.000 0.535 145 F N 0.122 120.182 119.950 0.184 0.000 2.733 145 F HA 0.429 4.959 4.527 0.005 0.000 0.380 145 F C -0.281 175.648 175.800 0.216 0.000 1.324 145 F CA -0.798 57.309 58.000 0.179 0.000 1.178 145 F CB 1.140 40.245 39.000 0.175 0.000 1.093 145 F HN -0.100 nan 8.300 nan 0.000 0.512 146 L N 1.993 123.367 121.223 0.253 0.000 2.282 146 L HA 0.257 4.601 4.340 0.006 0.000 0.287 146 L C 0.308 177.208 176.870 0.050 0.000 1.075 146 L CA -0.128 54.792 54.840 0.133 0.000 0.839 146 L CB -0.247 41.798 42.059 -0.024 0.000 1.219 146 L HN 0.207 nan 8.230 nan 0.000 0.434 147 H N 6.086 125.169 119.070 0.022 0.000 3.086 147 H HA 0.107 4.667 4.556 0.006 0.000 0.265 147 H C 0.369 175.678 175.328 -0.032 0.000 1.092 147 H CA 0.218 56.269 56.048 0.005 0.000 1.487 147 H CB 0.794 30.573 29.762 0.027 0.000 1.514 147 H HN 0.785 nan 8.280 nan 0.000 0.497 148 L N 4.464 125.449 121.223 -0.396 0.000 2.513 148 L HA 0.136 4.480 4.340 0.006 0.000 0.222 148 L C 1.860 178.553 176.870 -0.295 0.000 1.096 148 L CA 0.518 55.188 54.840 -0.284 0.000 0.857 148 L CB -0.046 41.850 42.059 -0.270 0.000 1.026 148 L HN 0.948 nan 8.230 nan 0.000 0.469 149 G N 1.292 109.740 108.800 -0.588 0.000 2.591 149 G HA2 -0.340 3.623 3.960 0.006 0.000 0.298 149 G HA3 -0.340 3.623 3.960 0.006 0.000 0.298 149 G C 0.221 175.073 174.900 -0.082 0.000 1.195 149 G CA 0.468 45.366 45.100 -0.336 0.000 0.989 149 G HN 0.334 nan 8.290 nan 0.000 0.551 150 D N 0.614 121.002 120.400 -0.019 0.000 2.395 150 D HA 0.280 4.924 4.640 0.006 0.000 0.213 150 D C 2.283 178.600 176.300 0.028 0.000 1.110 150 D CA 0.801 54.816 54.000 0.025 0.000 0.835 150 D CB 0.347 41.156 40.800 0.016 0.000 0.965 150 D HN 0.277 nan 8.370 nan 0.000 0.505 151 S N 0.341 116.055 115.700 0.024 0.000 2.402 151 S HA -0.140 4.333 4.470 0.006 0.000 0.233 151 S C 0.994 175.461 174.600 -0.220 0.000 1.030 151 S CA 0.991 59.150 58.200 -0.069 0.000 1.003 151 S CB -0.123 63.077 63.200 -0.001 0.000 0.813 151 S HN 0.260 nan 8.310 nan 0.000 0.477 152 F N 0.891 120.807 119.950 -0.057 0.000 2.735 152 F HA 0.485 5.015 4.527 0.005 0.000 0.304 152 F C 1.108 176.985 175.800 0.128 0.000 1.119 152 F CA 0.068 58.046 58.000 -0.036 0.000 1.280 152 F CB 0.418 39.280 39.000 -0.230 0.000 0.994 152 F HN 0.248 nan 8.300 nan 0.000 0.520 153 G N 0.582 109.513 108.800 0.219 0.000 2.570 153 G HA2 -0.184 3.780 3.960 0.006 0.000 0.686 153 G HA3 -0.184 3.780 3.960 0.006 0.000 0.686 153 G C 0.184 175.176 174.900 0.154 0.000 1.257 153 G CA -0.448 44.760 45.100 0.180 0.000 0.846 153 G HN 0.076 nan 8.290 nan 0.000 0.627 154 E N 0.184 120.425 120.200 0.069 0.000 2.204 154 E HA 0.104 4.457 4.350 0.006 0.000 0.195 154 E C 2.712 179.296 176.600 -0.027 0.000 0.990 154 E CA 2.573 58.988 56.400 0.025 0.000 0.821 154 E CB -0.414 29.291 29.700 0.008 0.000 0.750 154 E HN 1.346 nan 8.360 nan 0.000 0.477 155 A N -0.638 122.122 122.820 -0.100 0.000 2.070 155 A HA -0.150 4.173 4.320 0.006 0.000 0.220 155 A C 1.140 178.434 177.584 -0.483 0.000 1.159 155 A CA 1.258 53.096 52.037 -0.331 0.000 0.656 155 A CB -0.562 18.133 19.000 -0.509 0.000 0.800 155 A HN 0.423 nan 8.150 nan 0.000 0.453 156 Y N -1.580 118.732 120.300 0.019 0.000 2.584 156 Y HA 0.448 5.002 4.550 0.006 0.000 0.254 156 Y C 2.086 177.959 175.900 -0.045 0.000 1.177 156 Y CA -0.056 58.036 58.100 -0.014 0.000 1.216 156 Y CB -0.053 38.374 38.460 -0.055 0.000 1.172 156 Y HN 0.259 nan 8.280 nan 0.000 0.529 157 A N 0.022 122.877 122.820 0.058 0.000 2.125 157 A HA -0.182 4.141 4.320 0.006 0.000 0.219 157 A C 1.769 179.367 177.584 0.024 0.000 1.156 157 A CA 1.369 53.419 52.037 0.022 0.000 0.671 157 A CB -0.230 18.783 19.000 0.021 0.000 0.794 157 A HN 0.552 nan 8.150 nan 0.000 0.459 158 Q N -1.212 118.608 119.800 0.032 0.000 2.282 158 Q HA 0.358 4.701 4.340 0.006 0.000 0.206 158 Q C 1.900 177.930 176.000 0.049 0.000 0.878 158 Q CA 0.312 56.140 55.803 0.041 0.000 0.944 158 Q CB 0.116 28.869 28.738 0.026 0.000 1.100 158 Q HN 0.605 nan 8.270 nan 0.000 0.509 159 A N 1.101 123.956 122.820 0.058 0.000 1.986 159 A HA -0.163 4.160 4.320 0.006 0.000 0.220 159 A C 2.149 179.765 177.584 0.054 0.000 1.171 159 A CA 1.743 53.824 52.037 0.074 0.000 0.640 159 A CB -0.966 18.038 19.000 0.008 0.000 0.811 159 A HN 0.478 nan 8.150 nan 0.000 0.451 160 G N -1.192 107.666 108.800 0.098 0.000 2.509 160 G HA2 -0.120 3.843 3.960 0.006 0.000 0.218 160 G HA3 -0.120 3.843 3.960 0.006 0.000 0.218 160 G C 0.843 175.812 174.900 0.114 0.000 1.124 160 G CA 0.780 45.996 45.100 0.193 0.000 0.776 160 G HN 0.548 nan 8.290 nan 0.000 0.547 161 N N -0.142 118.556 118.700 -0.003 0.000 2.377 161 N HA 0.208 4.951 4.740 0.006 0.000 0.259 161 N C 1.501 176.881 175.510 -0.217 0.000 1.332 161 N CA -0.176 52.819 53.050 -0.093 0.000 0.877 161 N CB 0.765 39.261 38.487 0.016 0.000 1.299 161 N HN 0.179 nan 8.380 nan 0.000 0.501 162 L N -0.109 120.948 121.223 -0.277 0.000 2.083 162 L HA -0.061 4.283 4.340 0.006 0.000 0.209 162 L C 2.460 179.189 176.870 -0.236 0.000 1.083 162 L CA 1.533 56.264 54.840 -0.182 0.000 0.752 162 L CB -0.515 41.491 42.059 -0.087 0.000 0.899 162 L HN 0.228 nan 8.230 nan 0.000 0.433 163 G N 0.467 108.912 108.800 -0.592 0.000 2.442 163 G HA2 -0.231 3.733 3.960 0.006 0.000 0.219 163 G HA3 -0.231 3.733 3.960 0.006 0.000 0.219 163 G C 1.505 176.385 174.900 -0.033 0.000 1.141 163 G CA 0.483 45.435 45.100 -0.247 0.000 0.763 163 G HN 0.164 nan 8.290 nan 0.000 0.554 164 I N 0.781 121.308 120.570 -0.072 0.000 2.252 164 I HA -0.032 4.141 4.170 0.006 0.000 0.245 164 I C 2.809 178.931 176.117 0.008 0.000 1.102 164 I CA 0.710 62.006 61.300 -0.007 0.000 1.385 164 I CB -1.104 36.907 38.000 0.018 0.000 1.064 164 I HN 0.166 nan 8.210 nan 0.000 0.414 165 L N 0.300 121.525 121.223 0.004 0.000 2.131 165 L HA -0.220 4.123 4.340 0.006 0.000 0.210 165 L C 2.158 179.087 176.870 0.097 0.000 1.092 165 L CA 1.131 55.996 54.840 0.042 0.000 0.759 165 L CB -0.579 41.497 42.059 0.027 0.000 0.903 165 L HN 0.223 nan 8.230 nan 0.000 0.435 166 D N -0.213 120.262 120.400 0.124 0.000 2.117 166 D HA -0.175 4.468 4.640 0.006 0.000 0.198 166 D C 2.281 178.735 176.300 0.256 0.000 0.982 166 D CA 1.040 55.200 54.000 0.265 0.000 0.828 166 D CB -0.110 40.876 40.800 0.308 0.000 0.967 166 D HN 0.373 nan 8.370 nan 0.000 0.464 167 Q N 0.197 120.079 119.800 0.138 0.000 2.096 167 Q HA -0.098 4.245 4.340 0.006 0.000 0.204 167 Q C 2.352 178.413 176.000 0.101 0.000 0.982 167 Q CA 0.880 56.739 55.803 0.092 0.000 0.850 167 Q CB 0.040 28.763 28.738 -0.024 0.000 0.901 167 Q HN 0.147 nan 8.270 nan 0.000 0.422 168 V N 0.768 120.729 119.914 0.078 0.000 2.358 168 V HA -0.256 3.868 4.120 0.006 0.000 0.246 168 V C 2.223 178.371 176.094 0.089 0.000 1.047 168 V CA 1.709 64.047 62.300 0.064 0.000 1.035 168 V CB -0.935 30.927 31.823 0.065 0.000 0.658 168 V HN 0.399 nan 8.190 nan 0.000 0.452 169 A N 0.073 122.981 122.820 0.148 0.000 1.933 169 A HA -0.100 4.224 4.320 0.006 0.000 0.218 169 A C 2.413 180.121 177.584 0.206 0.000 1.175 169 A CA 2.027 54.199 52.037 0.226 0.000 0.628 169 A CB -0.699 18.500 19.000 0.331 0.000 0.814 169 A HN 0.559 nan 8.150 nan 0.000 0.444 170 A N -0.733 122.048 122.820 -0.065 0.000 1.930 170 A HA 0.013 4.336 4.320 0.006 0.000 0.217 170 A C 2.084 179.741 177.584 0.123 0.000 1.175 170 A CA 1.629 53.457 52.037 -0.350 0.000 0.627 170 A CB -0.540 18.026 19.000 -0.723 0.000 0.815 170 A HN 0.553 nan 8.150 nan 0.000 0.443 171 L N -0.098 121.134 121.223 0.014 0.000 2.083 171 L HA -0.094 4.250 4.340 0.006 0.000 0.209 171 L C 2.443 179.294 176.870 -0.032 0.000 1.083 171 L CA 1.760 56.432 54.840 -0.280 0.000 0.752 171 L CB -0.549 41.270 42.059 -0.400 0.000 0.899 171 L HN 0.337 nan 8.230 nan 0.000 0.433 172 R N -2.180 118.364 120.500 0.073 0.000 2.092 172 R HA -0.220 4.123 4.340 0.006 0.000 0.231 172 R C 2.120 178.526 176.300 0.176 0.000 1.119 172 R CA 1.751 57.914 56.100 0.105 0.000 0.970 172 R CB -0.645 29.730 30.300 0.124 0.000 0.864 172 R HN 0.519 nan 8.270 nan 0.000 0.440 173 W N 0.755 122.110 121.300 0.093 0.000 2.358 173 W HA -0.200 4.464 4.660 0.007 0.000 0.303 173 W C 1.794 178.388 176.519 0.125 0.000 1.208 173 W CA 1.177 58.615 57.345 0.156 0.000 1.274 173 W CB -0.087 29.481 29.460 0.180 0.000 1.138 173 W HN -0.229 nan 8.180 nan 0.000 0.515 174 V N 0.968 121.169 119.914 0.479 0.000 2.307 174 V HA -0.311 3.813 4.120 0.006 0.000 0.245 174 V C 2.296 178.441 176.094 0.084 0.000 1.045 174 V CA 2.314 64.814 62.300 0.333 0.000 1.024 174 V CB -1.099 30.919 31.823 0.325 0.000 0.651 174 V HN 0.067 nan 8.190 nan 0.000 0.449 175 K N 0.701 121.125 120.400 0.041 0.000 2.074 175 K HA -0.257 4.066 4.320 0.006 0.000 0.209 175 K C 2.161 178.732 176.600 -0.050 0.000 1.048 175 K CA 2.213 58.496 56.287 -0.008 0.000 0.926 175 K CB -0.324 32.167 32.500 -0.015 0.000 0.713 175 K HN 0.621 nan 8.250 nan 0.000 0.444 176 E N -0.996 119.148 120.200 -0.093 0.000 2.216 176 E HA -0.101 4.252 4.350 0.006 0.000 0.192 176 E C 0.736 177.182 176.600 -0.257 0.000 0.988 176 E CA 0.855 57.154 56.400 -0.168 0.000 0.834 176 E CB 0.161 29.752 29.700 -0.182 0.000 0.772 176 E HN 0.359 nan 8.360 nan 0.000 0.479 177 N N 0.025 118.510 118.700 -0.359 0.000 2.166 177 N HA 0.018 4.761 4.740 0.006 0.000 0.213 177 N C 1.414 176.906 175.510 -0.030 0.000 1.222 177 N CA -0.022 52.808 53.050 -0.367 0.000 0.900 177 N CB 0.451 38.362 38.487 -0.959 0.000 1.055 177 N HN 0.121 nan 8.380 nan 0.000 0.515 178 I N 2.430 123.024 120.570 0.041 0.000 2.454 178 I HA -0.139 4.035 4.170 0.006 0.000 0.254 178 I C 2.219 178.453 176.117 0.195 0.000 1.156 178 I CA 0.642 62.062 61.300 0.200 0.000 1.433 178 I CB -0.180 37.912 38.000 0.153 0.000 1.082 178 I HN 0.059 nan 8.210 nan 0.000 0.432 179 A N 0.387 123.250 122.820 0.071 0.000 1.948 179 A HA -0.207 4.116 4.320 0.006 0.000 0.220 179 A C 2.482 180.059 177.584 -0.012 0.000 1.177 179 A CA 1.889 53.939 52.037 0.022 0.000 0.636 179 A CB -1.216 17.769 19.000 -0.025 0.000 0.815 179 A HN 0.495 nan 8.150 nan 0.000 0.449 180 A N -1.679 121.101 122.820 -0.067 0.000 2.067 180 A HA 0.108 4.432 4.320 0.006 0.000 0.219 180 A C 1.444 178.780 177.584 -0.414 0.000 1.158 180 A CA 1.066 52.945 52.037 -0.263 0.000 0.661 180 A CB -0.615 18.143 19.000 -0.402 0.000 0.801 180 A HN 0.487 nan 8.150 nan 0.000 0.452 181 F N -0.763 119.086 119.950 -0.167 0.000 2.660 181 F HA 0.389 4.920 4.527 0.005 0.000 0.302 181 F C 1.688 177.454 175.800 -0.057 0.000 1.103 181 F CA 0.402 58.270 58.000 -0.220 0.000 1.340 181 F CB 0.058 38.904 39.000 -0.257 0.000 1.048 181 F HN 0.303 nan 8.300 nan 0.000 0.551 182 G N 0.313 109.162 108.800 0.081 0.000 2.132 182 G HA2 -0.137 3.826 3.960 0.006 0.000 0.234 182 G HA3 -0.137 3.826 3.960 0.006 0.000 0.234 182 G C 0.474 175.437 174.900 0.105 0.000 0.989 182 G CA -0.211 44.935 45.100 0.077 0.000 0.676 182 G HN 0.758 nan 8.290 nan 0.000 0.522 183 G N -0.887 107.987 108.800 0.123 0.000 2.471 183 G HA2 0.556 4.519 3.960 0.006 0.000 0.332 183 G HA3 0.556 4.519 3.960 0.006 0.000 0.332 183 G C -1.162 173.780 174.900 0.069 0.000 1.176 183 G CA 0.075 45.242 45.100 0.111 0.000 0.949 183 G HN 0.272 nan 8.290 nan 0.000 0.488 184 D N 0.577 121.007 120.400 0.052 0.000 2.373 184 D HA 0.336 4.979 4.640 0.006 0.000 0.227 184 D C -1.077 175.238 176.300 0.024 0.000 1.091 184 D CA -2.398 51.617 54.000 0.025 0.000 0.840 184 D CB 2.105 42.911 40.800 0.010 0.000 1.060 184 D HN 0.041 nan 8.370 nan 0.000 0.502 185 P HA -0.083 nan 4.420 nan 0.000 0.225 185 P C 0.064 177.361 177.300 -0.006 0.000 1.148 185 P CA 0.732 63.837 63.100 0.008 0.000 0.779 185 P CB 0.524 32.218 31.700 -0.010 0.000 0.780 186 D N -0.884 119.507 120.400 -0.014 0.000 2.328 186 D HA 0.019 4.662 4.640 0.006 0.000 0.221 186 D C 0.458 176.741 176.300 -0.028 0.000 1.072 186 D CA 0.435 54.419 54.000 -0.027 0.000 0.850 186 D CB -0.290 40.490 40.800 -0.033 0.000 0.922 186 D HN 0.151 nan 8.370 nan 0.000 0.516 187 N N 0.825 119.516 118.700 -0.014 0.000 2.672 187 N HA 0.176 4.920 4.740 0.006 0.000 0.295 187 N C -1.209 174.300 175.510 -0.001 0.000 1.924 187 N CA -0.171 52.865 53.050 -0.023 0.000 0.851 187 N CB 0.147 38.613 38.487 -0.035 0.000 1.281 187 N HN -0.083 nan 8.380 nan 0.000 0.494 188 I N 0.406 120.994 120.570 0.030 0.000 2.353 188 I HA 0.293 4.466 4.170 0.006 0.000 0.293 188 I C 0.059 176.235 176.117 0.098 0.000 0.992 188 I CA -0.359 60.983 61.300 0.071 0.000 1.268 188 I CB 1.685 39.732 38.000 0.078 0.000 1.387 188 I HN 0.047 nan 8.210 nan 0.000 0.478 189 T N 7.155 121.756 114.554 0.079 0.000 2.786 189 T HA 0.515 4.868 4.350 0.006 0.000 0.283 189 T C -0.114 174.685 174.700 0.166 0.000 0.992 189 T CA -0.432 61.717 62.100 0.082 0.000 0.954 189 T CB 0.789 69.633 68.868 -0.040 0.000 0.934 189 T HN 0.420 nan 8.240 nan 0.000 0.440 190 I N 2.265 122.922 120.570 0.144 0.000 2.385 190 I HA 0.851 5.025 4.170 0.006 0.000 0.294 190 I C -0.571 175.769 176.117 0.372 0.000 0.988 190 I CA -0.948 60.497 61.300 0.241 0.000 1.265 190 I CB 0.816 38.739 38.000 -0.129 0.000 1.388 190 I HN 0.671 nan 8.210 nan 0.000 0.480 191 F N 2.733 122.780 119.950 0.162 0.000 2.662 191 F HA 0.997 5.528 4.527 0.006 0.000 0.312 191 F C -0.337 175.492 175.800 0.049 0.000 1.113 191 F CA -0.833 57.282 58.000 0.191 0.000 0.951 191 F CB 1.886 41.105 39.000 0.365 0.000 1.344 191 F HN 0.825 nan 8.300 nan 0.000 0.462 192 G N 0.789 109.514 108.800 -0.124 0.000 2.523 192 G HA2 0.469 4.432 3.960 0.006 0.000 0.291 192 G HA3 0.469 4.432 3.960 0.006 0.000 0.291 192 G C -2.677 172.070 174.900 -0.255 0.000 1.450 192 G CA -0.853 43.763 45.100 -0.807 0.000 0.790 192 G HN 0.961 nan 8.290 nan 0.000 0.496 193 E N -0.183 119.839 120.200 -0.298 0.000 2.288 193 E HA 0.649 5.002 4.350 0.006 0.000 0.268 193 E C 0.701 177.293 176.600 -0.014 0.000 0.885 193 E CA 0.188 56.634 56.400 0.077 0.000 0.767 193 E CB 1.718 31.623 29.700 0.342 0.000 1.220 193 E HN 0.765 nan 8.360 nan 0.000 0.427 194 S N 1.270 117.013 115.700 0.071 0.000 4.112 194 S HA -0.395 4.078 4.470 0.006 0.000 0.602 194 S C 1.504 176.062 174.600 -0.070 0.000 1.939 194 S CA 1.022 59.269 58.200 0.078 0.000 4.230 194 S CB -1.639 61.601 63.200 0.066 0.000 0.245 194 S HN 0.915 nan 8.310 nan 0.000 0.530 195 A N 1.388 124.060 122.820 -0.246 0.000 2.024 195 A HA 0.117 4.440 4.320 0.006 0.000 0.220 195 A C 2.302 179.545 177.584 -0.567 0.000 1.164 195 A CA 2.496 54.154 52.037 -0.631 0.000 0.643 195 A CB -1.484 16.786 19.000 -1.217 0.000 0.806 195 A HN 1.362 nan 8.150 nan 0.000 0.451 196 G N -0.916 107.622 108.800 -0.437 0.000 2.421 196 G HA2 0.100 4.063 3.960 0.006 0.000 0.217 196 G HA3 0.100 4.063 3.960 0.006 0.000 0.217 196 G C 1.620 176.331 174.900 -0.315 0.000 1.143 196 G CA 1.114 45.930 45.100 -0.473 0.000 0.784 196 G HN 0.758 nan 8.290 nan 0.000 0.541 197 A N 0.951 123.663 122.820 -0.180 0.000 1.968 197 A HA 0.455 4.778 4.320 0.006 0.000 0.217 197 A C 2.714 180.282 177.584 -0.028 0.000 1.169 197 A CA 1.751 53.754 52.037 -0.057 0.000 0.638 197 A CB -0.489 18.537 19.000 0.043 0.000 0.812 197 A HN 0.604 nan 8.150 nan 0.000 0.446 198 A N -0.423 122.387 122.820 -0.016 0.000 1.930 198 A HA -0.027 4.296 4.320 0.006 0.000 0.217 198 A C 2.405 180.026 177.584 0.062 0.000 1.175 198 A CA 1.900 53.969 52.037 0.054 0.000 0.627 198 A CB -0.732 18.359 19.000 0.153 0.000 0.815 198 A HN 0.421 nan 8.150 nan 0.000 0.443 199 S N -0.324 115.401 115.700 0.042 0.000 2.356 199 S HA -0.134 4.339 4.470 0.006 0.000 0.223 199 S C 1.903 176.464 174.600 -0.066 0.000 1.032 199 S CA 1.448 59.646 58.200 -0.003 0.000 1.005 199 S CB -0.478 62.635 63.200 -0.145 0.000 0.867 199 S HN 0.345 nan 8.310 nan 0.000 0.449 200 V N 1.755 121.611 119.914 -0.097 0.000 2.332 200 V HA -0.168 3.955 4.120 0.006 0.000 0.248 200 V C 2.637 178.693 176.094 -0.064 0.000 1.055 200 V CA 1.963 64.198 62.300 -0.109 0.000 1.038 200 V CB -1.543 30.234 31.823 -0.077 0.000 0.651 200 V HN 0.592 nan 8.190 nan 0.000 0.450 201 G N -0.351 108.434 108.800 -0.025 0.000 2.440 201 G HA2 -0.219 3.744 3.960 0.006 0.000 0.218 201 G HA3 -0.219 3.744 3.960 0.006 0.000 0.218 201 G C 1.677 176.576 174.900 -0.001 0.000 1.154 201 G CA 1.284 46.382 45.100 -0.003 0.000 0.767 201 G HN 0.385 nan 8.290 nan 0.000 0.552 202 V N 0.910 120.816 119.914 -0.013 0.000 2.307 202 V HA -0.110 4.013 4.120 0.006 0.000 0.245 202 V C 2.929 179.034 176.094 0.018 0.000 1.045 202 V CA 1.507 63.800 62.300 -0.012 0.000 1.024 202 V CB -0.432 31.379 31.823 -0.019 0.000 0.651 202 V HN 0.354 nan 8.190 nan 0.000 0.449 203 L N -0.806 120.421 121.223 0.006 0.000 2.127 203 L HA -0.207 4.136 4.340 0.006 0.000 0.211 203 L C 2.404 179.378 176.870 0.172 0.000 1.089 203 L CA 1.351 56.218 54.840 0.044 0.000 0.757 203 L CB -0.514 41.499 42.059 -0.077 0.000 0.899 203 L HN 0.315 nan 8.230 nan 0.000 0.434 204 L N -0.318 120.990 121.223 0.142 0.000 2.131 204 L HA -0.194 4.149 4.340 0.006 0.000 0.210 204 L C 2.588 179.572 176.870 0.191 0.000 1.092 204 L CA 1.703 56.707 54.840 0.273 0.000 0.759 204 L CB -0.204 41.952 42.059 0.162 0.000 0.903 204 L HN 0.442 nan 8.230 nan 0.000 0.435 205 S N -1.540 114.230 115.700 0.117 0.000 2.535 205 S HA 0.063 4.536 4.470 0.006 0.000 0.214 205 S C 0.499 175.146 174.600 0.079 0.000 0.980 205 S CA -0.420 57.831 58.200 0.086 0.000 0.907 205 S CB 0.045 63.279 63.200 0.057 0.000 0.790 205 S HN 0.093 nan 8.310 nan 0.000 0.510 206 L N 3.081 124.358 121.223 0.091 0.000 2.315 206 L HA 0.459 4.802 4.340 0.006 0.000 0.283 206 L C -1.748 175.160 176.870 0.064 0.000 1.089 206 L CA -2.096 52.787 54.840 0.073 0.000 0.833 206 L CB 1.153 43.256 42.059 0.074 0.000 1.170 206 L HN -0.037 nan 8.230 nan 0.000 0.442 207 P HA -0.156 nan 4.420 nan 0.000 0.215 207 P C 0.793 178.105 177.300 0.021 0.000 1.153 207 P CA 1.036 64.152 63.100 0.027 0.000 0.853 207 P CB 0.412 32.126 31.700 0.024 0.000 0.788 208 E N -0.747 119.472 120.200 0.031 0.000 2.265 208 E HA -0.067 4.286 4.350 0.006 0.000 0.196 208 E C 1.805 178.427 176.600 0.037 0.000 0.996 208 E CA 1.199 57.617 56.400 0.030 0.000 0.832 208 E CB -0.904 28.817 29.700 0.035 0.000 0.756 208 E HN 0.223 nan 8.360 nan 0.000 0.491 209 A N 0.008 122.864 122.820 0.060 0.000 2.303 209 A HA 0.141 4.465 4.320 0.006 0.000 0.217 209 A C 1.122 178.723 177.584 0.028 0.000 1.205 209 A CA -0.123 51.974 52.037 0.100 0.000 0.875 209 A CB 0.209 19.333 19.000 0.206 0.000 0.910 209 A HN 0.108 nan 8.150 nan 0.000 0.501 210 S N -0.113 115.567 115.700 -0.034 0.000 2.544 210 S HA 0.380 4.853 4.470 0.006 0.000 0.290 210 S C 1.432 175.920 174.600 -0.187 0.000 1.276 210 S CA 1.100 59.212 58.200 -0.147 0.000 1.075 210 S CB 0.018 63.167 63.200 -0.084 0.000 0.849 210 S HN 1.831 nan 8.310 nan 0.000 0.494 211 G N 3.791 112.400 108.800 -0.319 0.000 2.199 211 G HA2 -0.211 3.752 3.960 0.006 0.000 0.254 211 G HA3 -0.211 3.752 3.960 0.006 0.000 0.254 211 G C 0.646 175.417 174.900 -0.216 0.000 0.982 211 G CA 0.374 45.328 45.100 -0.242 0.000 0.632 211 G HN 0.688 nan 8.290 nan 0.000 0.529 212 L N -0.476 120.619 121.223 -0.214 0.000 2.418 212 L HA 0.381 4.724 4.340 0.006 0.000 0.218 212 L C 1.105 177.981 176.870 0.011 0.000 1.125 212 L CA 0.912 55.716 54.840 -0.061 0.000 0.835 212 L CB -0.235 41.852 42.059 0.047 0.000 0.953 212 L HN 0.497 nan 8.230 nan 0.000 0.454 213 F N -4.155 115.749 119.950 -0.078 0.000 2.645 213 F HA 0.471 5.001 4.527 0.006 0.000 0.310 213 F C 0.623 176.396 175.800 -0.046 0.000 1.102 213 F CA -1.243 56.714 58.000 -0.072 0.000 0.952 213 F CB 1.280 40.233 39.000 -0.077 0.000 1.326 213 F HN -0.362 nan 8.300 nan 0.000 0.456 214 R N 0.380 120.943 120.500 0.104 0.000 2.175 214 R HA 0.432 4.775 4.340 0.006 0.000 0.202 214 R C -0.087 176.269 176.300 0.094 0.000 1.018 214 R CA 0.411 56.515 56.100 0.007 0.000 1.029 214 R CB 0.409 30.689 30.300 -0.033 0.000 0.959 214 R HN 0.837 nan 8.270 nan 0.000 0.480 215 R N -1.298 119.336 120.500 0.224 0.000 2.817 215 R HA 0.661 5.005 4.340 0.006 0.000 0.268 215 R C -1.686 174.812 176.300 0.329 0.000 1.027 215 R CA -0.767 55.468 56.100 0.226 0.000 0.928 215 R CB 2.110 32.380 30.300 -0.049 0.000 1.228 215 R HN 0.092 nan 8.270 nan 0.000 0.469 216 A N 1.376 124.403 122.820 0.344 0.000 2.549 216 A HA 0.741 5.064 4.320 0.006 0.000 0.297 216 A C -1.254 176.448 177.584 0.196 0.000 1.061 216 A CA -0.801 51.361 52.037 0.207 0.000 0.690 216 A CB 1.770 20.824 19.000 0.090 0.000 1.287 216 A HN 0.571 nan 8.150 nan 0.000 0.402 217 M N 1.843 121.541 119.600 0.164 0.000 2.263 217 M HA 0.490 4.973 4.480 0.006 0.000 0.295 217 M C -1.732 174.696 176.300 0.214 0.000 1.028 217 M CA -0.415 54.941 55.300 0.093 0.000 0.921 217 M CB 1.807 34.440 32.600 0.056 0.000 1.601 217 M HN 0.411 nan 8.290 nan 0.000 0.440 218 L N 3.747 125.073 121.223 0.171 0.000 2.318 218 L HA 0.404 4.747 4.340 0.006 0.000 0.277 218 L C -0.484 176.549 176.870 0.271 0.000 1.008 218 L CA -0.119 54.829 54.840 0.179 0.000 0.846 218 L CB 1.537 43.647 42.059 0.085 0.000 1.220 218 L HN 0.632 nan 8.230 nan 0.000 0.423 219 Q N 2.003 122.022 119.800 0.365 0.000 2.360 219 Q HA 0.414 4.757 4.340 0.006 0.000 0.254 219 Q C 0.137 176.303 176.000 0.276 0.000 0.975 219 Q CA -0.458 55.619 55.803 0.456 0.000 0.912 219 Q CB 1.044 30.131 28.738 0.581 0.000 1.212 219 Q HN 0.618 nan 8.270 nan 0.000 0.452 220 S N 1.283 117.108 115.700 0.207 0.000 3.628 220 S HA -0.148 4.326 4.470 0.006 0.000 0.373 220 S C 0.021 174.764 174.600 0.239 0.000 0.968 220 S CA 0.494 58.770 58.200 0.127 0.000 1.215 220 S CB -1.157 62.063 63.200 0.034 0.000 0.912 220 S HN 1.002 nan 8.310 nan 0.000 0.495 221 G N -0.533 108.403 108.800 0.226 0.000 2.387 221 G HA2 0.674 4.637 3.960 0.006 0.000 0.294 221 G HA3 0.674 4.637 3.960 0.006 0.000 0.294 221 G C -0.959 174.003 174.900 0.104 0.000 1.509 221 G CA 0.207 45.437 45.100 0.217 0.000 0.806 221 G HN 1.275 nan 8.290 nan 0.000 0.546 222 S N -1.601 114.134 115.700 0.059 0.000 2.656 222 S HA 0.679 5.153 4.470 0.006 0.000 0.273 222 S C 1.295 175.899 174.600 0.008 0.000 1.168 222 S CA 0.449 58.659 58.200 0.018 0.000 0.817 222 S CB 1.166 64.359 63.200 -0.012 0.000 1.146 222 S HN 2.051 nan 8.310 nan 0.000 0.475 223 G N 0.909 109.708 108.800 -0.003 0.000 2.516 223 G HA2 -0.137 3.827 3.960 0.006 0.000 0.221 223 G HA3 -0.137 3.827 3.960 0.006 0.000 0.221 223 G C 1.329 176.180 174.900 -0.080 0.000 1.107 223 G CA 1.237 46.315 45.100 -0.037 0.000 0.747 223 G HN 1.288 nan 8.290 nan 0.000 0.567 224 S N -0.673 115.017 115.700 -0.016 0.000 2.478 224 S HA 0.218 4.691 4.470 0.006 0.000 0.222 224 S C 1.011 175.588 174.600 -0.038 0.000 1.008 224 S CA -0.388 57.813 58.200 0.002 0.000 0.928 224 S CB -0.072 63.178 63.200 0.083 0.000 0.781 224 S HN 0.154 nan 8.310 nan 0.000 0.518 225 L N 3.382 124.583 121.223 -0.037 0.000 2.534 225 L HA 0.278 4.621 4.340 0.006 0.000 0.271 225 L C 0.519 177.414 176.870 0.042 0.000 1.178 225 L CA 0.313 55.132 54.840 -0.035 0.000 0.907 225 L CB -0.676 41.382 42.059 -0.002 0.000 1.164 225 L HN 0.455 nan 8.230 nan 0.000 0.482 226 L N 2.808 124.045 121.223 0.024 0.000 4.696 226 L HA -0.260 4.083 4.340 0.006 0.000 0.425 226 L C 0.163 177.018 176.870 -0.024 0.000 1.115 226 L CA 0.118 54.992 54.840 0.058 0.000 0.996 226 L CB -1.622 40.568 42.059 0.219 0.000 2.077 226 L HN 0.564 nan 8.230 nan 0.000 0.792 227 L N 1.422 122.613 121.223 -0.054 0.000 2.456 227 L HA 0.328 4.672 4.340 0.006 0.000 0.272 227 L C 0.862 177.682 176.870 -0.083 0.000 1.189 227 L CA 0.802 55.579 54.840 -0.105 0.000 0.846 227 L CB 0.562 42.537 42.059 -0.139 0.000 1.111 227 L HN 0.034 nan 8.230 nan 0.000 0.475 228 R N 2.432 122.872 120.500 -0.100 0.000 2.803 228 R HA 0.584 4.927 4.340 0.006 0.000 0.276 228 R C -0.567 175.677 176.300 -0.093 0.000 0.978 228 R CA -0.664 55.384 56.100 -0.086 0.000 0.939 228 R CB 1.729 31.971 30.300 -0.097 0.000 1.179 228 R HN 0.795 nan 8.270 nan 0.000 0.472 229 S N 0.983 116.636 115.700 -0.080 0.000 2.632 229 S HA 0.285 4.758 4.470 0.006 0.000 0.271 229 S C -1.986 172.525 174.600 -0.148 0.000 1.260 229 S CA -1.221 56.931 58.200 -0.081 0.000 1.010 229 S CB 1.646 64.821 63.200 -0.043 0.000 0.965 229 S HN 0.291 nan 8.310 nan 0.000 0.534 230 P HA -0.082 nan 4.420 nan 0.000 0.215 230 P C 1.006 178.217 177.300 -0.148 0.000 1.153 230 P CA 1.225 64.155 63.100 -0.284 0.000 0.853 230 P CB 0.006 31.631 31.700 -0.126 0.000 0.788 231 E N -0.997 119.167 120.200 -0.061 0.000 2.058 231 E HA -0.137 4.216 4.350 0.006 0.000 0.194 231 E C 2.042 178.626 176.600 -0.025 0.000 0.997 231 E CA 1.701 58.090 56.400 -0.019 0.000 0.801 231 E CB -1.664 28.030 29.700 -0.010 0.000 0.746 231 E HN 0.214 nan 8.360 nan 0.000 0.450 232 T N 0.534 115.061 114.554 -0.046 0.000 2.708 232 T HA -0.149 4.205 4.350 0.006 0.000 0.266 232 T C 1.942 176.613 174.700 -0.048 0.000 1.037 232 T CA 1.475 63.549 62.100 -0.043 0.000 1.146 232 T CB -0.443 68.395 68.868 -0.050 0.000 0.865 232 T HN 0.298 nan 8.240 nan 0.000 0.435 233 A N 1.303 124.071 122.820 -0.086 0.000 1.902 233 A HA -0.076 4.248 4.320 0.006 0.000 0.217 233 A C 2.249 179.864 177.584 0.051 0.000 1.181 233 A CA 1.863 53.863 52.037 -0.062 0.000 0.623 233 A CB -0.672 18.209 19.000 -0.199 0.000 0.818 233 A HN 0.399 nan 8.150 nan 0.000 0.443 234 M N 0.307 119.965 119.600 0.096 0.000 2.117 234 M HA -0.016 4.468 4.480 0.006 0.000 0.262 234 M C 2.128 178.471 176.300 0.070 0.000 1.065 234 M CA 1.583 56.982 55.300 0.165 0.000 1.114 234 M CB -0.747 31.953 32.600 0.165 0.000 1.361 234 M HN 0.380 nan 8.290 nan 0.000 0.408 235 A N -0.227 122.613 122.820 0.032 0.000 1.933 235 A HA -0.193 4.130 4.320 0.006 0.000 0.218 235 A C 2.194 179.781 177.584 0.004 0.000 1.175 235 A CA 2.091 54.136 52.037 0.013 0.000 0.628 235 A CB -0.698 18.302 19.000 0.000 0.000 0.814 235 A HN 0.618 nan 8.150 nan 0.000 0.444 236 M N -1.128 118.468 119.600 -0.007 0.000 2.132 236 M HA -0.118 4.365 4.480 0.006 0.000 0.263 236 M C 2.275 178.571 176.300 -0.008 0.000 1.065 236 M CA 1.918 57.200 55.300 -0.030 0.000 1.122 236 M CB -0.705 31.849 32.600 -0.076 0.000 1.365 236 M HN 0.402 nan 8.290 nan 0.000 0.411 237 T N 0.248 114.814 114.554 0.020 0.000 2.720 237 T HA -0.139 4.215 4.350 0.006 0.000 0.268 237 T C 1.701 176.412 174.700 0.020 0.000 1.037 237 T CA 1.239 63.353 62.100 0.023 0.000 1.144 237 T CB -0.245 68.647 68.868 0.039 0.000 0.864 237 T HN 0.315 nan 8.240 nan 0.000 0.444 238 E N 1.251 121.466 120.200 0.026 0.000 2.085 238 E HA -0.107 4.246 4.350 0.006 0.000 0.194 238 E C 2.405 179.016 176.600 0.017 0.000 0.994 238 E CA 1.143 57.557 56.400 0.024 0.000 0.801 238 E CB -0.272 29.440 29.700 0.020 0.000 0.743 238 E HN 0.499 nan 8.360 nan 0.000 0.453 239 R N 0.142 120.649 120.500 0.011 0.000 2.075 239 R HA 0.006 4.349 4.340 0.006 0.000 0.232 239 R C 2.622 178.931 176.300 0.015 0.000 1.126 239 R CA 0.965 57.071 56.100 0.010 0.000 0.963 239 R CB -0.322 29.979 30.300 0.003 0.000 0.858 239 R HN 0.189 nan 8.270 nan 0.000 0.435 240 I N 0.932 121.511 120.570 0.016 0.000 2.179 240 I HA -0.287 3.887 4.170 0.006 0.000 0.242 240 I C 2.231 178.359 176.117 0.018 0.000 1.088 240 I CA 1.330 62.644 61.300 0.024 0.000 1.357 240 I CB -0.294 37.724 38.000 0.031 0.000 1.051 240 I HN 0.142 nan 8.210 nan 0.000 0.409 241 L N 0.347 121.578 121.223 0.013 0.000 2.083 241 L HA -0.257 4.086 4.340 0.006 0.000 0.209 241 L C 2.254 179.140 176.870 0.028 0.000 1.083 241 L CA 1.632 56.484 54.840 0.021 0.000 0.752 241 L CB -0.716 41.372 42.059 0.048 0.000 0.899 241 L HN 0.322 nan 8.230 nan 0.000 0.433 242 D N 0.182 120.596 120.400 0.024 0.000 2.084 242 D HA -0.197 4.446 4.640 0.006 0.000 0.194 242 D C 2.170 178.484 176.300 0.022 0.000 0.990 242 D CA 1.267 55.280 54.000 0.021 0.000 0.826 242 D CB 0.165 40.975 40.800 0.017 0.000 0.971 242 D HN -0.051 nan 8.370 nan 0.000 0.453 243 K N 0.060 120.474 120.400 0.024 0.000 2.152 243 K HA -0.047 4.276 4.320 0.006 0.000 0.206 243 K C 1.908 178.525 176.600 0.029 0.000 1.048 243 K CA 1.120 57.423 56.287 0.027 0.000 0.933 243 K CB -0.391 32.128 32.500 0.032 0.000 0.721 243 K HN 0.252 nan 8.250 nan 0.000 0.447 244 A N 0.074 122.911 122.820 0.028 0.000 2.218 244 A HA 0.234 4.557 4.320 0.006 0.000 0.209 244 A C 1.196 178.797 177.584 0.029 0.000 1.168 244 A CA 0.877 52.931 52.037 0.028 0.000 0.804 244 A CB -0.170 18.843 19.000 0.021 0.000 0.834 244 A HN 0.355 nan 8.150 nan 0.000 0.482 245 G N -0.411 108.406 108.800 0.028 0.000 2.246 245 G HA2 -0.218 3.745 3.960 0.006 0.000 0.273 245 G HA3 -0.218 3.745 3.960 0.006 0.000 0.273 245 G C -0.109 174.812 174.900 0.036 0.000 1.055 245 G CA 0.427 45.544 45.100 0.029 0.000 0.851 245 G HN 0.521 nan 8.290 nan 0.000 0.500 246 I N 0.235 120.831 120.570 0.044 0.000 2.355 246 I HA 0.374 4.547 4.170 0.006 0.000 0.288 246 I C 0.868 177.035 176.117 0.083 0.000 0.999 246 I CA -0.906 60.436 61.300 0.070 0.000 1.163 246 I CB 1.262 39.306 38.000 0.074 0.000 1.316 246 I HN 0.024 nan 8.210 nan 0.000 0.454 247 R N 6.375 126.913 120.500 0.064 0.000 2.438 247 R HA 0.286 4.629 4.340 0.006 0.000 0.287 247 R C -2.385 173.905 176.300 -0.018 0.000 1.077 247 R CA -1.555 54.555 56.100 0.017 0.000 1.034 247 R CB 0.238 30.532 30.300 -0.010 0.000 0.993 247 R HN 0.244 nan 8.270 nan 0.000 0.459 248 P HA -0.063 nan 4.420 nan 0.000 0.261 248 P C 0.507 177.421 177.300 -0.644 0.000 1.183 248 P CA 1.109 64.007 63.100 -0.338 0.000 0.761 248 P CB 0.619 32.196 31.700 -0.206 0.000 0.785 249 G N 2.737 110.607 108.800 -1.551 0.000 2.175 249 G HA2 -0.214 3.750 3.960 0.006 0.000 0.244 249 G HA3 -0.214 3.750 3.960 0.006 0.000 0.244 249 G C 0.267 174.895 174.900 -0.454 0.000 0.982 249 G CA -0.139 44.338 45.100 -1.040 0.000 0.641 249 G HN 0.587 nan 8.290 nan 0.000 0.527 250 D N 0.703 120.991 120.400 -0.186 0.000 2.558 250 D HA 0.251 4.894 4.640 0.006 0.000 0.221 250 D C 1.678 178.145 176.300 0.278 0.000 1.143 250 D CA -0.421 53.633 54.000 0.089 0.000 1.010 250 D CB -0.036 40.815 40.800 0.086 0.000 1.068 250 D HN 0.465 nan 8.370 nan 0.000 0.511 251 R N 1.651 122.309 120.500 0.263 0.000 2.139 251 R HA -0.215 4.128 4.340 0.006 0.000 0.243 251 R C 0.930 177.296 176.300 0.110 0.000 1.145 251 R CA 1.522 57.745 56.100 0.204 0.000 0.976 251 R CB 0.362 30.776 30.300 0.190 0.000 0.866 251 R HN 0.198 nan 8.270 nan 0.000 0.449 252 E N 0.122 120.383 120.200 0.102 0.000 2.023 252 E HA -0.232 4.121 4.350 0.006 0.000 0.196 252 E C 1.966 178.606 176.600 0.068 0.000 1.003 252 E CA 1.663 58.109 56.400 0.076 0.000 0.809 252 E CB -0.266 29.470 29.700 0.061 0.000 0.755 252 E HN 0.193 nan 8.360 nan 0.000 0.449 253 R N 0.593 121.136 120.500 0.072 0.000 2.092 253 R HA -0.059 4.285 4.340 0.006 0.000 0.231 253 R C 2.084 178.416 176.300 0.053 0.000 1.119 253 R CA 0.827 56.964 56.100 0.062 0.000 0.970 253 R CB -0.733 29.606 30.300 0.066 0.000 0.864 253 R HN 0.262 nan 8.270 nan 0.000 0.440 254 L N 0.030 121.275 121.223 0.037 0.000 2.079 254 L HA -0.063 4.281 4.340 0.006 0.000 0.210 254 L C 1.758 178.665 176.870 0.061 0.000 1.081 254 L CA 1.782 56.599 54.840 -0.037 0.000 0.752 254 L CB -0.184 41.692 42.059 -0.304 0.000 0.896 254 L HN 0.309 nan 8.230 nan 0.000 0.433 255 L N -1.495 119.764 121.223 0.060 0.000 2.416 255 L HA 0.046 4.390 4.340 0.006 0.000 0.216 255 L C 2.233 179.141 176.870 0.063 0.000 1.098 255 L CA 0.837 55.725 54.840 0.081 0.000 0.840 255 L CB -0.396 41.719 42.059 0.092 0.000 0.981 255 L HN 0.419 nan 8.230 nan 0.000 0.462 256 S N -0.623 115.112 115.700 0.057 0.000 2.503 256 S HA 0.083 4.556 4.470 0.006 0.000 0.215 256 S C 0.849 175.478 174.600 0.049 0.000 1.003 256 S CA -0.411 57.818 58.200 0.048 0.000 0.910 256 S CB -0.117 63.109 63.200 0.043 0.000 0.790 256 S HN 0.248 nan 8.310 nan 0.000 0.514 257 I N 3.630 124.233 120.570 0.056 0.000 2.683 257 I HA 0.198 4.372 4.170 0.006 0.000 0.286 257 I C -2.488 173.671 176.117 0.070 0.000 1.175 257 I CA -2.119 59.216 61.300 0.058 0.000 1.429 257 I CB 0.784 38.819 38.000 0.058 0.000 1.371 257 I HN 0.060 nan 8.210 nan 0.000 0.569 258 P HA 0.007 nan 4.420 nan 0.000 0.267 258 P C 0.007 177.375 177.300 0.113 0.000 1.200 258 P CA 0.044 63.184 63.100 0.065 0.000 0.772 258 P CB 0.818 32.547 31.700 0.047 0.000 0.855 259 A N 3.104 125.997 122.820 0.121 0.000 1.883 259 A HA -0.241 4.082 4.320 0.006 0.000 0.217 259 A C 1.893 179.625 177.584 0.247 0.000 1.186 259 A CA 1.695 53.875 52.037 0.238 0.000 0.624 259 A CB -1.172 17.820 19.000 -0.014 0.000 0.822 259 A HN 0.647 nan 8.150 nan 0.000 0.444 260 E N -0.861 119.406 120.200 0.110 0.000 2.118 260 E HA -0.214 4.139 4.350 0.006 0.000 0.195 260 E C 2.082 178.745 176.600 0.105 0.000 0.992 260 E CA 1.106 57.562 56.400 0.093 0.000 0.804 260 E CB -0.105 29.621 29.700 0.043 0.000 0.741 260 E HN 0.526 nan 8.360 nan 0.000 0.458 261 E N 0.830 121.086 120.200 0.093 0.000 2.072 261 E HA -0.151 4.203 4.350 0.006 0.000 0.191 261 E C 2.048 178.698 176.600 0.083 0.000 0.985 261 E CA 0.492 56.938 56.400 0.076 0.000 0.801 261 E CB -0.094 29.641 29.700 0.059 0.000 0.750 261 E HN 0.145 nan 8.360 nan 0.000 0.452 262 L N 0.701 121.986 121.223 0.103 0.000 2.093 262 L HA -0.113 4.230 4.340 0.006 0.000 0.208 262 L C 2.357 179.260 176.870 0.056 0.000 1.085 262 L CA 1.252 56.124 54.840 0.053 0.000 0.755 262 L CB -0.807 41.251 42.059 -0.003 0.000 0.904 262 L HN 0.172 nan 8.230 nan 0.000 0.435 263 L N -0.445 120.873 121.223 0.158 0.000 2.056 263 L HA -0.153 4.190 4.340 0.006 0.000 0.207 263 L C 2.680 179.627 176.870 0.128 0.000 1.078 263 L CA 1.622 56.572 54.840 0.183 0.000 0.749 263 L CB -0.582 41.639 42.059 0.270 0.000 0.901 263 L HN 0.217 nan 8.230 nan 0.000 0.433 264 R N -0.548 120.015 120.500 0.105 0.000 2.081 264 R HA -0.131 4.212 4.340 0.006 0.000 0.235 264 R C 2.242 178.588 176.300 0.078 0.000 1.131 264 R CA 1.269 57.418 56.100 0.083 0.000 0.960 264 R CB -0.703 29.636 30.300 0.064 0.000 0.856 264 R HN 0.539 nan 8.270 nan 0.000 0.436 265 A N 1.395 124.257 122.820 0.070 0.000 1.883 265 A HA -0.161 4.162 4.320 0.006 0.000 0.217 265 A C 2.403 180.033 177.584 0.076 0.000 1.186 265 A CA 1.852 53.926 52.037 0.061 0.000 0.624 265 A CB -0.699 18.329 19.000 0.047 0.000 0.822 265 A HN 0.408 nan 8.150 nan 0.000 0.444 266 A N -0.252 122.628 122.820 0.099 0.000 1.877 266 A HA -0.045 4.278 4.320 0.006 0.000 0.216 266 A C 2.145 179.832 177.584 0.172 0.000 1.186 266 A CA 1.526 53.655 52.037 0.153 0.000 0.620 266 A CB -0.686 18.449 19.000 0.225 0.000 0.822 266 A HN 0.483 nan 8.150 nan 0.000 0.443 267 L N 0.750 122.071 121.223 0.163 0.000 2.191 267 L HA -0.158 4.185 4.340 0.006 0.000 0.212 267 L C 2.764 179.701 176.870 0.111 0.000 1.103 267 L CA 1.381 56.314 54.840 0.155 0.000 0.769 267 L CB -0.549 41.591 42.059 0.135 0.000 0.908 267 L HN 0.611 nan 8.230 nan 0.000 0.438 268 S N -0.199 115.553 115.700 0.087 0.000 2.547 268 S HA -0.073 4.400 4.470 0.006 0.000 0.235 268 S C 1.704 176.338 174.600 0.057 0.000 0.980 268 S CA 0.611 58.849 58.200 0.064 0.000 0.941 268 S CB -0.430 62.801 63.200 0.052 0.000 0.763 268 S HN 0.454 nan 8.310 nan 0.000 0.532 269 L N 1.085 122.346 121.223 0.064 0.000 2.492 269 L HA 0.284 4.627 4.340 0.006 0.000 0.223 269 L C 1.582 178.482 176.870 0.049 0.000 1.132 269 L CA 0.246 55.113 54.840 0.046 0.000 0.850 269 L CB -1.283 40.797 42.059 0.034 0.000 0.966 269 L HN 0.632 nan 8.230 nan 0.000 0.454 270 G N 0.615 109.458 108.800 0.071 0.000 2.877 270 G HA2 -0.233 3.731 3.960 0.006 0.000 0.279 270 G HA3 -0.233 3.731 3.960 0.006 0.000 0.279 270 G C -2.065 172.887 174.900 0.087 0.000 1.431 270 G CA -0.552 44.595 45.100 0.077 0.000 0.883 270 G HN 0.085 nan 8.290 nan 0.000 0.547 271 P HA 0.022 nan 4.420 nan 0.000 0.238 271 P C 1.687 179.040 177.300 0.088 0.000 1.175 271 P CA 1.733 64.903 63.100 0.117 0.000 0.757 271 P CB -0.332 31.448 31.700 0.133 0.000 0.839 272 G N -0.810 108.021 108.800 0.052 0.000 2.396 272 G HA2 -0.090 3.874 3.960 0.006 0.000 0.214 272 G HA3 -0.090 3.874 3.960 0.006 0.000 0.214 272 G C 0.453 175.350 174.900 -0.004 0.000 1.166 272 G CA 0.052 45.167 45.100 0.026 0.000 0.793 272 G HN 0.168 nan 8.290 nan 0.000 0.533 273 V N 1.415 121.311 119.914 -0.031 0.000 2.521 273 V HA 0.392 4.515 4.120 0.006 0.000 0.286 273 V C -0.117 175.875 176.094 -0.169 0.000 1.034 273 V CA 0.136 62.350 62.300 -0.143 0.000 1.045 273 V CB 1.210 32.921 31.823 -0.187 0.000 0.974 273 V HN 0.280 nan 8.190 nan 0.000 0.480 274 M N 6.920 126.393 119.600 -0.213 0.000 2.253 274 M HA 0.519 5.002 4.480 0.006 0.000 0.314 274 M C -1.065 175.102 176.300 -0.221 0.000 1.019 274 M CA -0.463 54.774 55.300 -0.106 0.000 0.932 274 M CB 1.433 34.036 32.600 0.005 0.000 1.606 274 M HN 0.503 nan 8.290 nan 0.000 0.430 275 Y N 2.006 122.328 120.300 0.037 0.000 2.374 275 Y HA 0.868 5.422 4.550 0.006 0.000 0.322 275 Y C 1.103 176.872 175.900 -0.218 0.000 1.275 275 Y CA 0.162 58.237 58.100 -0.041 0.000 1.307 275 Y CB 1.413 39.884 38.460 0.017 0.000 1.282 275 Y HN 0.816 nan 8.280 nan 0.000 0.509 276 G N 0.281 108.812 108.800 -0.448 0.000 2.336 276 G HA2 0.273 4.236 3.960 0.006 0.000 0.300 276 G HA3 0.273 4.236 3.960 0.006 0.000 0.300 276 G C -3.424 171.070 174.900 -0.676 0.000 1.375 276 G CA -1.378 43.131 45.100 -0.986 0.000 0.885 276 G HN 0.262 nan 8.290 nan 0.000 0.599 277 P HA 0.392 nan 4.420 nan 0.000 0.268 277 P C -0.329 176.913 177.300 -0.096 0.000 1.208 277 P CA -0.218 62.787 63.100 -0.158 0.000 0.777 277 P CB 1.012 32.598 31.700 -0.190 0.000 0.875 278 V N 2.779 122.678 119.914 -0.025 0.000 2.531 278 V HA 0.146 4.269 4.120 0.006 0.000 0.301 278 V C 0.180 176.237 176.094 -0.060 0.000 1.034 278 V CA -0.765 61.490 62.300 -0.075 0.000 0.865 278 V CB 2.143 33.898 31.823 -0.113 0.000 0.995 278 V HN 0.181 nan 8.190 nan 0.000 0.424 279 V N 4.640 124.508 119.914 -0.075 0.000 2.157 279 V HA 0.053 4.176 4.120 0.006 0.000 0.241 279 V C 1.126 177.204 176.094 -0.027 0.000 1.349 279 V CA 0.244 62.520 62.300 -0.040 0.000 1.319 279 V CB -0.362 31.445 31.823 -0.027 0.000 1.421 279 V HN 1.088 nan 8.190 nan 0.000 0.501 280 D N 1.968 122.369 120.400 0.002 0.000 2.340 280 D HA 0.091 4.734 4.640 0.006 0.000 0.220 280 D C 1.620 177.964 176.300 0.073 0.000 1.039 280 D CA 0.668 54.703 54.000 0.058 0.000 0.866 280 D CB 0.317 41.213 40.800 0.161 0.000 0.913 280 D HN 0.574 nan 8.370 nan 0.000 0.523 281 G N 0.895 109.723 108.800 0.047 0.000 2.189 281 G HA2 -0.387 3.576 3.960 0.006 0.000 0.267 281 G HA3 -0.387 3.576 3.960 0.006 0.000 0.267 281 G C 1.222 176.149 174.900 0.045 0.000 0.975 281 G CA 0.699 45.826 45.100 0.045 0.000 0.644 281 G HN 0.470 nan 8.290 nan 0.000 0.537 282 R N -1.016 119.515 120.500 0.053 0.000 2.125 282 R HA 0.372 4.716 4.340 0.006 0.000 0.195 282 R C 2.267 178.590 176.300 0.038 0.000 1.138 282 R CA 1.048 57.176 56.100 0.045 0.000 1.123 282 R CB -0.382 29.951 30.300 0.054 0.000 1.049 282 R HN 0.335 nan 8.270 nan 0.000 0.503 283 V N 1.603 121.541 119.914 0.041 0.000 2.436 283 V HA 0.072 4.195 4.120 0.006 0.000 0.240 283 V C 0.578 176.690 176.094 0.030 0.000 1.040 283 V CA 0.758 63.078 62.300 0.033 0.000 1.052 283 V CB -0.051 31.791 31.823 0.031 0.000 0.707 283 V HN 0.019 nan 8.190 nan 0.000 0.469 284 L N 1.314 122.553 121.223 0.027 0.000 2.264 284 L HA 0.419 4.762 4.340 0.006 0.000 0.287 284 L C 1.290 178.175 176.870 0.024 0.000 1.039 284 L CA 0.193 55.043 54.840 0.017 0.000 0.829 284 L CB 1.193 43.248 42.059 -0.006 0.000 1.211 284 L HN 0.036 nan 8.230 nan 0.000 0.427 285 R N 2.859 123.379 120.500 0.033 0.000 2.193 285 R HA 0.128 4.472 4.340 0.006 0.000 0.213 285 R C 0.247 176.577 176.300 0.049 0.000 1.055 285 R CA 0.490 56.614 56.100 0.039 0.000 0.995 285 R CB -0.104 30.221 30.300 0.040 0.000 0.893 285 R HN 0.652 nan 8.270 nan 0.000 0.459 286 R N -1.789 118.744 120.500 0.055 0.000 2.733 286 R HA 0.230 4.573 4.340 0.006 0.000 0.272 286 R C -1.131 175.213 176.300 0.074 0.000 1.029 286 R CA -0.914 55.235 56.100 0.082 0.000 0.888 286 R CB 0.760 31.134 30.300 0.124 0.000 1.251 286 R HN -0.053 nan 8.270 nan 0.000 0.464 287 H N 1.575 120.656 119.070 0.019 0.000 3.140 287 H HA 0.025 4.585 4.556 0.006 0.000 0.316 287 H C -1.657 173.672 175.328 0.001 0.000 0.986 287 H CA -0.159 55.888 56.048 -0.001 0.000 1.397 287 H CB 1.094 30.846 29.762 -0.016 0.000 1.377 287 H HN 0.331 nan 8.280 nan 0.000 0.585 288 P HA -0.202 nan 4.420 nan 0.000 0.216 288 P C 1.112 178.457 177.300 0.075 0.000 1.150 288 P CA 1.585 64.645 63.100 -0.067 0.000 0.843 288 P CB 0.194 31.802 31.700 -0.154 0.000 0.787 289 I N -0.807 119.924 120.570 0.268 0.000 2.406 289 I HA -0.151 4.022 4.170 0.006 0.000 0.249 289 I C 2.209 178.368 176.117 0.071 0.000 1.122 289 I CA 1.172 62.579 61.300 0.179 0.000 1.431 289 I CB -0.654 37.450 38.000 0.174 0.000 1.087 289 I HN -0.020 nan 8.210 nan 0.000 0.424 290 E N 1.486 121.744 120.200 0.097 0.000 2.085 290 E HA -0.232 4.121 4.350 0.006 0.000 0.194 290 E C 2.386 178.900 176.600 -0.143 0.000 0.994 290 E CA 1.389 57.736 56.400 -0.088 0.000 0.801 290 E CB -0.236 29.450 29.700 -0.023 0.000 0.743 290 E HN 0.502 nan 8.360 nan 0.000 0.453 291 A N 1.500 124.337 122.820 0.028 0.000 1.948 291 A HA -0.197 4.127 4.320 0.006 0.000 0.220 291 A C 2.220 179.829 177.584 0.043 0.000 1.177 291 A CA 1.195 53.286 52.037 0.090 0.000 0.636 291 A CB -0.717 18.347 19.000 0.107 0.000 0.815 291 A HN 0.151 nan 8.150 nan 0.000 0.449 292 L N -1.271 119.956 121.223 0.006 0.000 2.083 292 L HA -0.186 4.158 4.340 0.006 0.000 0.209 292 L C 2.708 179.557 176.870 -0.034 0.000 1.083 292 L CA 1.401 56.245 54.840 0.008 0.000 0.752 292 L CB -0.522 41.544 42.059 0.011 0.000 0.899 292 L HN 0.374 nan 8.230 nan 0.000 0.433 293 R N -0.848 119.563 120.500 -0.149 0.000 2.237 293 R HA -0.125 4.218 4.340 0.006 0.000 0.219 293 R C 1.248 177.441 176.300 -0.180 0.000 1.080 293 R CA 1.038 57.004 56.100 -0.223 0.000 0.995 293 R CB -0.133 29.934 30.300 -0.388 0.000 0.875 293 R HN 0.439 nan 8.270 nan 0.000 0.462 294 Y N -0.608 119.707 120.300 0.024 0.000 2.524 294 Y HA 0.194 4.747 4.550 0.005 0.000 0.266 294 Y C 1.328 177.238 175.900 0.017 0.000 1.180 294 Y CA -0.191 57.920 58.100 0.019 0.000 1.244 294 Y CB 1.124 39.596 38.460 0.019 0.000 1.125 294 Y HN 0.222 nan 8.280 nan 0.000 0.524 295 G N 0.330 109.210 108.800 0.133 0.000 2.136 295 G HA2 -0.377 3.587 3.960 0.006 0.000 0.242 295 G HA3 -0.377 3.587 3.960 0.006 0.000 0.242 295 G C 1.192 176.135 174.900 0.072 0.000 0.989 295 G CA 0.305 45.457 45.100 0.086 0.000 0.682 295 G HN 0.504 nan 8.290 nan 0.000 0.522 296 A N -0.434 122.438 122.820 0.087 0.000 1.986 296 A HA 0.397 4.720 4.320 0.006 0.000 0.220 296 A C 2.138 179.751 177.584 0.048 0.000 1.171 296 A CA 2.278 54.357 52.037 0.070 0.000 0.640 296 A CB -0.177 18.874 19.000 0.085 0.000 0.811 296 A HN 2.040 nan 8.150 nan 0.000 0.451 297 A N 0.010 122.861 122.820 0.053 0.000 2.705 297 A HA 0.518 4.841 4.320 0.006 0.000 0.294 297 A C 0.589 178.196 177.584 0.038 0.000 1.039 297 A CA 0.386 52.452 52.037 0.049 0.000 1.005 297 A CB -0.581 18.477 19.000 0.097 0.000 1.192 297 A HN 0.708 nan 8.150 nan 0.000 0.513 298 S N -0.597 115.119 115.700 0.026 0.000 2.562 298 S HA 0.464 4.937 4.470 0.006 0.000 0.281 298 S C 1.224 175.829 174.600 0.007 0.000 1.333 298 S CA 0.607 58.820 58.200 0.023 0.000 1.052 298 S CB 1.017 64.230 63.200 0.021 0.000 0.884 298 S HN 2.013 nan 8.310 nan 0.000 0.506 299 G N 1.646 110.454 108.800 0.013 0.000 2.179 299 G HA2 -0.192 3.771 3.960 0.006 0.000 0.260 299 G HA3 -0.192 3.771 3.960 0.006 0.000 0.260 299 G C -0.017 174.886 174.900 0.005 0.000 0.977 299 G CA 0.112 45.213 45.100 0.001 0.000 0.641 299 G HN 0.749 nan 8.290 nan 0.000 0.533 300 I N 2.693 123.282 120.570 0.032 0.000 2.337 300 I HA 0.298 4.471 4.170 0.006 0.000 0.285 300 I C -1.900 174.296 176.117 0.132 0.000 1.041 300 I CA -2.880 58.464 61.300 0.074 0.000 1.199 300 I CB 0.621 38.690 38.000 0.115 0.000 1.370 300 I HN -0.088 nan 8.210 nan 0.000 0.470 301 P HA 0.277 nan 4.420 nan 0.000 0.269 301 P C -0.475 177.062 177.300 0.394 0.000 1.209 301 P CA 0.110 63.354 63.100 0.241 0.000 0.776 301 P CB 1.088 32.906 31.700 0.196 0.000 0.876 302 I N -1.018 119.755 120.570 0.339 0.000 2.894 302 I HA 0.617 4.791 4.170 0.006 0.000 0.302 302 I C -1.487 174.545 176.117 -0.142 0.000 1.188 302 I CA -1.567 59.840 61.300 0.178 0.000 1.014 302 I CB 2.518 40.569 38.000 0.086 0.000 1.242 302 I HN 0.152 nan 8.210 nan 0.000 0.430 303 L N 5.811 126.750 121.223 -0.473 0.000 2.349 303 L HA 0.731 5.074 4.340 0.006 0.000 0.278 303 L C -1.425 175.348 176.870 -0.162 0.000 0.996 303 L CA -0.552 53.939 54.840 -0.582 0.000 0.825 303 L CB 1.526 42.778 42.059 -1.346 0.000 1.243 303 L HN 0.780 nan 8.230 nan 0.000 0.412 304 I N 4.054 124.640 120.570 0.026 0.000 2.802 304 I HA 0.884 5.057 4.170 0.006 0.000 0.298 304 I C -0.617 175.395 176.117 -0.175 0.000 1.176 304 I CA -0.226 61.084 61.300 0.016 0.000 1.025 304 I CB 2.173 40.140 38.000 -0.054 0.000 1.243 304 I HN 0.685 nan 8.210 nan 0.000 0.424 305 G N 5.084 113.601 108.800 -0.471 0.000 2.600 305 G HA2 0.624 4.587 3.960 0.006 0.000 0.293 305 G HA3 0.624 4.587 3.960 0.006 0.000 0.293 305 G C -1.718 172.888 174.900 -0.490 0.000 1.408 305 G CA -0.164 44.266 45.100 -1.117 0.000 0.782 305 G HN 0.925 nan 8.290 nan 0.000 0.482 306 V N -3.191 116.564 119.914 -0.265 0.000 3.078 306 V HA 0.890 5.014 4.120 0.006 0.000 0.311 306 V C -0.230 176.003 176.094 0.231 0.000 1.138 306 V CA -0.859 61.458 62.300 0.028 0.000 1.007 306 V CB 1.517 33.361 31.823 0.034 0.000 1.045 306 V HN 0.796 nan 8.190 nan 0.000 0.432 307 T N 2.645 117.306 114.554 0.178 0.000 2.771 307 T HA 0.294 4.647 4.350 0.006 0.000 0.291 307 T C 0.038 174.859 174.700 0.202 0.000 0.954 307 T CA -0.141 62.123 62.100 0.273 0.000 1.045 307 T CB 0.606 69.576 68.868 0.171 0.000 0.917 307 T HN 0.921 nan 8.240 nan 0.000 0.484 308 K N 3.223 123.764 120.400 0.235 0.000 2.511 308 K HA -0.092 4.231 4.320 0.006 0.000 0.280 308 K C -0.035 176.653 176.600 0.146 0.000 1.008 308 K CA 0.127 56.520 56.287 0.177 0.000 1.050 308 K CB 0.157 32.724 32.500 0.113 0.000 0.889 308 K HN 0.617 nan 8.250 nan 0.000 0.484 309 D N 2.785 123.283 120.400 0.164 0.000 2.692 309 D HA -0.212 4.431 4.640 0.006 0.000 0.233 309 D C 0.655 177.046 176.300 0.152 0.000 1.172 309 D CA 1.198 55.293 54.000 0.159 0.000 0.636 309 D CB -0.441 40.428 40.800 0.114 0.000 1.028 309 D HN 0.785 nan 8.370 nan 0.000 0.419 310 E N -0.954 119.319 120.200 0.120 0.000 2.118 310 E HA -0.234 4.119 4.350 0.006 0.000 0.195 310 E C 1.762 178.484 176.600 0.203 0.000 0.992 310 E CA 0.796 57.239 56.400 0.072 0.000 0.804 310 E CB -0.069 29.479 29.700 -0.253 0.000 0.741 310 E HN 0.552 nan 8.360 nan 0.000 0.458 311 Y N 1.389 121.791 120.300 0.169 0.000 2.465 311 Y HA -0.200 4.353 4.550 0.006 0.000 0.289 311 Y C 1.869 177.851 175.900 0.137 0.000 1.150 311 Y CA 1.319 59.486 58.100 0.111 0.000 1.293 311 Y CB 0.007 38.403 38.460 -0.108 0.000 0.977 311 Y HN 0.152 nan 8.280 nan 0.000 0.556 312 N N 0.087 118.929 118.700 0.237 0.000 2.205 312 N HA -0.180 4.563 4.740 0.006 0.000 0.186 312 N C 1.740 177.328 175.510 0.130 0.000 1.015 312 N CA 1.425 54.642 53.050 0.278 0.000 0.862 312 N CB -0.505 38.137 38.487 0.257 0.000 0.986 312 N HN 0.406 nan 8.380 nan 0.000 0.429 313 L N -0.737 120.499 121.223 0.022 0.000 2.265 313 L HA -0.075 4.268 4.340 0.006 0.000 0.215 313 L C 1.628 178.130 176.870 -0.612 0.000 1.117 313 L CA 0.636 55.344 54.840 -0.219 0.000 0.782 313 L CB -0.471 41.470 42.059 -0.198 0.000 0.914 313 L HN 0.001 nan 8.230 nan 0.000 0.441 314 F N 0.544 120.075 119.950 -0.699 0.000 2.365 314 F HA -0.156 4.374 4.527 0.006 0.000 0.300 314 F C 2.807 178.463 175.800 -0.239 0.000 1.090 314 F CA 1.513 59.138 58.000 -0.626 0.000 1.408 314 F CB -0.937 37.538 39.000 -0.874 0.000 1.060 314 F HN 0.182 nan 8.300 nan 0.000 0.534 315 T N -2.300 112.234 114.554 -0.033 0.000 3.072 315 T HA -0.091 4.262 4.350 0.006 0.000 0.266 315 T C 1.890 176.577 174.700 -0.021 0.000 1.127 315 T CA 0.822 62.919 62.100 -0.004 0.000 1.107 315 T CB -0.602 68.122 68.868 -0.239 0.000 0.910 315 T HN 0.311 nan 8.240 nan 0.000 0.513 316 L N 0.497 121.689 121.223 -0.050 0.000 2.179 316 L HA 0.046 4.390 4.340 0.006 0.000 0.208 316 L C 2.852 179.741 176.870 0.032 0.000 1.096 316 L CA 1.103 55.937 54.840 -0.011 0.000 0.779 316 L CB -0.693 41.360 42.059 -0.009 0.000 0.922 316 L HN 0.298 nan 8.230 nan 0.000 0.443 317 T N -2.168 112.414 114.554 0.046 0.000 3.044 317 T HA -0.034 4.319 4.350 0.006 0.000 0.255 317 T C 0.220 174.992 174.700 0.119 0.000 1.073 317 T CA 0.597 62.756 62.100 0.099 0.000 1.125 317 T CB 0.048 68.998 68.868 0.136 0.000 0.908 317 T HN 0.092 nan 8.240 nan 0.000 0.480 318 D N 0.766 121.261 120.400 0.159 0.000 2.363 318 D HA 0.318 4.961 4.640 0.006 0.000 0.258 318 D C -2.312 174.097 176.300 0.182 0.000 1.259 318 D CA -2.148 51.963 54.000 0.185 0.000 0.921 318 D CB 1.500 42.473 40.800 0.288 0.000 1.201 318 D HN -0.102 nan 8.370 nan 0.000 0.524 319 P HA -0.114 nan 4.420 nan 0.000 0.228 319 P C 1.353 178.645 177.300 -0.014 0.000 1.151 319 P CA 0.712 63.814 63.100 0.002 0.000 0.770 319 P CB 0.157 31.848 31.700 -0.015 0.000 0.786 320 S N -2.173 113.518 115.700 -0.015 0.000 2.402 320 S HA -0.232 4.241 4.470 0.006 0.000 0.233 320 S C 1.715 176.270 174.600 -0.076 0.000 1.030 320 S CA 0.895 59.044 58.200 -0.085 0.000 1.003 320 S CB -1.735 61.364 63.200 -0.168 0.000 0.813 320 S HN 0.253 nan 8.310 nan 0.000 0.477 321 W N 2.594 123.857 121.300 -0.063 0.000 2.363 321 W HA -0.039 4.625 4.660 0.005 0.000 0.296 321 W C 2.849 179.272 176.519 -0.161 0.000 1.212 321 W CA 1.457 58.771 57.345 -0.052 0.000 1.260 321 W CB -0.876 28.580 29.460 -0.007 0.000 1.131 321 W HN 0.513 nan 8.180 nan 0.000 0.530 322 T N -1.861 112.590 114.554 -0.172 0.000 3.252 322 T HA 0.107 4.461 4.350 0.006 0.000 0.250 322 T C 0.762 175.393 174.700 -0.115 0.000 1.123 322 T CA 0.314 62.126 62.100 -0.480 0.000 1.006 322 T CB -0.358 68.016 68.868 -0.823 0.000 0.992 322 T HN 0.092 nan 8.240 nan 0.000 0.547 323 K N 0.834 121.223 120.400 -0.019 0.000 2.826 323 K HA 0.419 4.742 4.320 0.006 0.000 0.206 323 K C -0.754 175.869 176.600 0.038 0.000 1.116 323 K CA -0.226 56.072 56.287 0.018 0.000 1.045 323 K CB 0.800 33.295 32.500 -0.007 0.000 0.758 323 K HN 0.327 nan 8.250 nan 0.000 0.465 324 L N 0.400 121.670 121.223 0.080 0.000 2.362 324 L HA 0.504 4.847 4.340 0.006 0.000 0.271 324 L C 0.753 177.692 176.870 0.116 0.000 1.002 324 L CA -1.157 53.728 54.840 0.074 0.000 0.818 324 L CB 1.772 43.868 42.059 0.062 0.000 1.298 324 L HN 0.145 nan 8.230 nan 0.000 0.420 325 G N 0.317 109.165 108.800 0.080 0.000 2.699 325 G HA2 -0.008 3.956 3.960 0.006 0.000 0.246 325 G HA3 -0.008 3.956 3.960 0.006 0.000 0.246 325 G C 0.602 175.563 174.900 0.103 0.000 1.219 325 G CA -0.106 45.048 45.100 0.090 0.000 0.866 325 G HN 0.896 nan 8.290 nan 0.000 0.572 326 E N 0.390 120.659 120.200 0.116 0.000 2.051 326 E HA -0.157 4.197 4.350 0.006 0.000 0.192 326 E C 2.823 179.374 176.600 -0.082 0.000 0.991 326 E CA 1.905 58.361 56.400 0.093 0.000 0.799 326 E CB -0.170 29.639 29.700 0.181 0.000 0.748 326 E HN 0.538 nan 8.360 nan 0.000 0.449 327 K N 1.142 121.510 120.400 -0.053 0.000 2.097 327 K HA -0.161 4.162 4.320 0.006 0.000 0.205 327 K C 1.742 178.298 176.600 -0.074 0.000 1.050 327 K CA 1.586 57.819 56.287 -0.091 0.000 0.938 327 K CB -0.807 31.663 32.500 -0.050 0.000 0.718 327 K HN 0.412 nan 8.250 nan 0.000 0.442 328 E N -0.191 119.991 120.200 -0.031 0.000 2.208 328 E HA -0.043 4.310 4.350 0.006 0.000 0.193 328 E C 1.998 178.589 176.600 -0.015 0.000 0.988 328 E CA 0.747 57.133 56.400 -0.023 0.000 0.828 328 E CB -0.046 29.651 29.700 -0.006 0.000 0.763 328 E HN 0.518 nan 8.360 nan 0.000 0.478 329 L N 0.385 121.617 121.223 0.015 0.000 2.095 329 L HA -0.098 4.245 4.340 0.006 0.000 0.204 329 L C 2.324 179.220 176.870 0.043 0.000 1.080 329 L CA 0.470 55.366 54.840 0.093 0.000 0.759 329 L CB -0.150 42.035 42.059 0.209 0.000 0.914 329 L HN 0.295 nan 8.230 nan 0.000 0.439 330 L N 0.187 121.333 121.223 -0.130 0.000 2.042 330 L HA -0.253 4.090 4.340 0.006 0.000 0.210 330 L C 2.205 179.020 176.870 -0.091 0.000 1.076 330 L CA 1.902 56.612 54.840 -0.218 0.000 0.749 330 L CB -1.201 40.602 42.059 -0.426 0.000 0.893 330 L HN 0.390 nan 8.230 nan 0.000 0.432 331 D N -0.870 119.486 120.400 -0.073 0.000 2.144 331 D HA -0.226 4.417 4.640 0.006 0.000 0.199 331 D C 2.169 178.459 176.300 -0.016 0.000 0.984 331 D CA 0.944 54.917 54.000 -0.045 0.000 0.834 331 D CB -0.075 40.697 40.800 -0.047 0.000 0.955 331 D HN 0.329 nan 8.370 nan 0.000 0.465 332 R N 0.707 121.201 120.500 -0.011 0.000 2.096 332 R HA -0.063 4.280 4.340 0.006 0.000 0.235 332 R C 2.426 178.776 176.300 0.085 0.000 1.127 332 R CA 0.750 56.837 56.100 -0.022 0.000 0.968 332 R CB -0.195 30.021 30.300 -0.139 0.000 0.861 332 R HN 0.138 nan 8.270 nan 0.000 0.440 333 I N 1.064 121.736 120.570 0.171 0.000 2.252 333 I HA -0.266 3.907 4.170 0.006 0.000 0.245 333 I C 1.959 178.141 176.117 0.109 0.000 1.102 333 I CA 0.996 62.417 61.300 0.202 0.000 1.385 333 I CB -0.444 37.660 38.000 0.173 0.000 1.064 333 I HN 0.277 nan 8.210 nan 0.000 0.414 334 N N 1.088 119.825 118.700 0.061 0.000 2.166 334 N HA -0.182 4.561 4.740 0.006 0.000 0.186 334 N C 2.197 177.733 175.510 0.044 0.000 1.019 334 N CA 1.784 54.862 53.050 0.048 0.000 0.856 334 N CB -0.216 38.278 38.487 0.012 0.000 0.993 334 N HN 0.371 nan 8.380 nan 0.000 0.426 335 R N 1.549 122.068 120.500 0.033 0.000 2.081 335 R HA -0.065 4.278 4.340 0.006 0.000 0.235 335 R C 2.053 178.373 176.300 0.034 0.000 1.131 335 R CA 1.644 57.757 56.100 0.022 0.000 0.960 335 R CB -1.107 29.195 30.300 0.003 0.000 0.856 335 R HN 0.469 nan 8.270 nan 0.000 0.436 336 E N -0.143 120.092 120.200 0.057 0.000 2.051 336 E HA -0.035 4.318 4.350 0.006 0.000 0.189 336 E C 1.670 178.292 176.600 0.037 0.000 0.979 336 E CA 1.641 58.078 56.400 0.061 0.000 0.803 336 E CB 0.336 30.109 29.700 0.122 0.000 0.761 336 E HN 0.516 nan 8.360 nan 0.000 0.451 337 V N -2.876 117.064 119.914 0.044 0.000 3.252 337 V HA 0.420 4.544 4.120 0.006 0.000 0.320 337 V C 0.663 176.815 176.094 0.096 0.000 1.459 337 V CA -0.133 62.184 62.300 0.030 0.000 1.095 337 V CB 0.277 32.086 31.823 -0.023 0.000 0.997 337 V HN 0.082 nan 8.190 nan 0.000 0.469 338 G N 2.117 110.978 108.800 0.102 0.000 2.611 338 G HA2 0.491 4.454 3.960 0.006 0.000 0.273 338 G HA3 0.491 4.454 3.960 0.006 0.000 0.273 338 G C -2.059 172.910 174.900 0.116 0.000 1.305 338 G CA -0.673 44.505 45.100 0.130 0.000 1.010 338 G HN 0.484 nan 8.290 nan 0.000 0.509 339 P HA 0.305 nan 4.420 nan 0.000 0.279 339 P C -0.827 176.556 177.300 0.139 0.000 1.239 339 P CA -0.301 62.856 63.100 0.095 0.000 0.789 339 P CB 1.644 33.379 31.700 0.059 0.000 0.933 340 V N 5.266 125.220 119.914 0.067 0.000 2.333 340 V HA 0.234 4.358 4.120 0.006 0.000 0.274 340 V C -1.535 174.469 176.094 -0.149 0.000 1.028 340 V CA -1.573 60.697 62.300 -0.051 0.000 0.851 340 V CB 0.716 32.515 31.823 -0.041 0.000 1.000 340 V HN 0.635 nan 8.190 nan 0.000 0.456 341 P HA 0.170 nan 4.420 nan 0.000 0.269 341 P C 0.584 177.773 177.300 -0.185 0.000 1.209 341 P CA -0.124 62.872 63.100 -0.173 0.000 0.776 341 P CB 1.389 32.989 31.700 -0.166 0.000 0.876 342 E N 0.914 121.051 120.200 -0.104 0.000 2.153 342 E HA -0.215 4.139 4.350 0.006 0.000 0.194 342 E C 1.521 178.076 176.600 -0.075 0.000 0.988 342 E CA 1.350 57.708 56.400 -0.069 0.000 0.811 342 E CB -0.022 29.655 29.700 -0.039 0.000 0.746 342 E HN 0.536 nan 8.360 nan 0.000 0.466 343 E N 0.682 120.819 120.200 -0.106 0.000 2.118 343 E HA -0.202 4.152 4.350 0.006 0.000 0.195 343 E C 1.862 178.369 176.600 -0.156 0.000 0.992 343 E CA 1.280 57.617 56.400 -0.106 0.000 0.804 343 E CB -0.245 29.389 29.700 -0.110 0.000 0.741 343 E HN 0.303 nan 8.360 nan 0.000 0.458 344 A N 0.909 123.547 122.820 -0.304 0.000 1.873 344 A HA -0.152 4.171 4.320 0.006 0.000 0.215 344 A C 2.099 179.672 177.584 -0.017 0.000 1.186 344 A CA 1.139 52.919 52.037 -0.429 0.000 0.616 344 A CB -0.478 17.869 19.000 -1.089 0.000 0.823 344 A HN 0.135 nan 8.150 nan 0.000 0.442 345 I N 0.996 121.607 120.570 0.068 0.000 2.194 345 I HA -0.287 3.886 4.170 0.006 0.000 0.246 345 I C 2.710 178.987 176.117 0.266 0.000 1.093 345 I CA 2.137 63.624 61.300 0.310 0.000 1.355 345 I CB -1.283 36.827 38.000 0.184 0.000 1.046 345 I HN 0.595 nan 8.210 nan 0.000 0.413 346 R N 0.765 121.332 120.500 0.112 0.000 2.096 346 R HA -0.253 4.091 4.340 0.006 0.000 0.235 346 R C 2.478 178.788 176.300 0.017 0.000 1.127 346 R CA 1.661 57.799 56.100 0.064 0.000 0.968 346 R CB -1.396 28.920 30.300 0.026 0.000 0.861 346 R HN 0.349 nan 8.270 nan 0.000 0.440 347 Y N 1.276 121.490 120.300 -0.143 0.000 2.145 347 Y HA -0.241 4.312 4.550 0.005 0.000 0.286 347 Y C 1.693 177.432 175.900 -0.269 0.000 1.145 347 Y CA 1.615 59.558 58.100 -0.261 0.000 1.148 347 Y CB -0.580 37.612 38.460 -0.447 0.000 0.981 347 Y HN 0.030 nan 8.280 nan 0.000 0.507 348 Y N 0.305 120.528 120.300 -0.128 0.000 2.352 348 Y HA -0.126 4.428 4.550 0.006 0.000 0.292 348 Y C 2.328 178.000 175.900 -0.379 0.000 1.136 348 Y CA 1.335 59.271 58.100 -0.273 0.000 1.227 348 Y CB -0.154 38.270 38.460 -0.060 0.000 0.991 348 Y HN 0.055 nan 8.280 nan 0.000 0.545 349 K N -0.203 120.114 120.400 -0.139 0.000 2.167 349 K HA -0.130 4.194 4.320 0.006 0.000 0.203 349 K C 1.882 178.372 176.600 -0.184 0.000 1.052 349 K CA 0.774 56.956 56.287 -0.175 0.000 0.956 349 K CB 0.019 32.505 32.500 -0.024 0.000 0.735 349 K HN 0.198 nan 8.250 nan 0.000 0.451 350 E N 0.372 120.446 120.200 -0.209 0.000 2.208 350 E HA -0.065 4.288 4.350 0.006 0.000 0.193 350 E C 1.151 177.596 176.600 -0.259 0.000 0.988 350 E CA 1.069 57.346 56.400 -0.205 0.000 0.828 350 E CB 0.311 29.899 29.700 -0.186 0.000 0.763 350 E HN 0.189 nan 8.360 nan 0.000 0.478 351 T N 0.416 114.741 114.554 -0.382 0.000 3.044 351 T HA 0.271 4.625 4.350 0.006 0.000 0.250 351 T C 0.708 175.263 174.700 -0.241 0.000 1.081 351 T CA 0.328 62.222 62.100 -0.343 0.000 1.040 351 T CB 0.301 68.860 68.868 -0.514 0.000 0.962 351 T HN 0.172 nan 8.240 nan 0.000 0.506 352 A N 2.024 124.696 122.820 -0.246 0.000 2.583 352 A HA 0.094 4.417 4.320 0.006 0.000 0.231 352 A C 0.157 177.631 177.584 -0.182 0.000 1.065 352 A CA 0.186 52.084 52.037 -0.233 0.000 0.760 352 A CB 0.081 18.917 19.000 -0.273 0.000 1.001 352 A HN 0.487 nan 8.150 nan 0.000 0.509 353 E N 2.240 122.334 120.200 -0.178 0.000 2.115 353 E HA 0.248 4.602 4.350 0.006 0.000 0.282 353 E C -1.834 174.686 176.600 -0.134 0.000 0.987 353 E CA -1.662 54.653 56.400 -0.143 0.000 0.797 353 E CB 1.025 30.642 29.700 -0.139 0.000 1.086 353 E HN 0.441 nan 8.360 nan 0.000 0.397 354 P HA -0.236 nan 4.420 nan 0.000 0.217 354 P C 1.175 178.428 177.300 -0.080 0.000 1.151 354 P CA 1.574 64.622 63.100 -0.086 0.000 0.849 354 P CB 0.276 31.935 31.700 -0.068 0.000 0.787 355 S N -1.428 114.224 115.700 -0.080 0.000 2.501 355 S HA 0.368 4.842 4.470 0.006 0.000 0.220 355 S C 1.141 175.688 174.600 -0.089 0.000 0.997 355 S CA 0.283 58.441 58.200 -0.070 0.000 0.919 355 S CB -0.457 62.708 63.200 -0.058 0.000 0.778 355 S HN 0.205 nan 8.310 nan 0.000 0.523 356 A N 2.627 125.369 122.820 -0.131 0.000 2.340 356 A HA 0.628 4.952 4.320 0.006 0.000 0.268 356 A C -2.270 175.181 177.584 -0.222 0.000 1.100 356 A CA -1.443 50.479 52.037 -0.192 0.000 0.803 356 A CB 0.065 18.917 19.000 -0.248 0.000 1.043 356 A HN 0.290 nan 8.150 nan 0.000 0.488 357 P HA 0.089 nan 4.420 nan 0.000 0.270 357 P C 0.761 177.858 177.300 -0.339 0.000 1.223 357 P CA -0.014 62.947 63.100 -0.231 0.000 0.785 357 P CB 0.358 31.974 31.700 -0.139 0.000 0.923 358 T N 0.647 115.136 114.554 -0.108 0.000 2.624 358 T HA -0.179 4.174 4.350 0.006 0.000 0.268 358 T C 1.620 176.307 174.700 -0.022 0.000 1.041 358 T CA 1.990 64.068 62.100 -0.037 0.000 1.159 358 T CB -0.788 68.187 68.868 0.178 0.000 0.863 358 T HN 0.656 nan 8.240 nan 0.000 0.434 359 W N 1.863 123.250 121.300 0.145 0.000 2.331 359 W HA -0.175 4.489 4.660 0.006 0.000 0.291 359 W C 1.624 178.202 176.519 0.098 0.000 1.214 359 W CA 0.940 58.407 57.345 0.202 0.000 1.228 359 W CB -1.113 28.476 29.460 0.215 0.000 1.135 359 W HN 0.361 nan 8.180 nan 0.000 0.537 360 Q N 0.647 119.982 119.800 -0.776 0.000 2.170 360 Q HA -0.118 4.225 4.340 0.006 0.000 0.203 360 Q C 2.335 178.127 176.000 -0.347 0.000 0.976 360 Q CA 2.556 57.934 55.803 -0.708 0.000 0.858 360 Q CB -0.245 27.920 28.738 -0.955 0.000 0.907 360 Q HN 0.236 nan 8.270 nan 0.000 0.433 361 T N -0.376 113.929 114.554 -0.416 0.000 2.737 361 T HA -0.166 4.188 4.350 0.006 0.000 0.265 361 T C 1.094 175.510 174.700 -0.473 0.000 1.038 361 T CA 1.289 63.076 62.100 -0.521 0.000 1.144 361 T CB -0.328 68.028 68.868 -0.854 0.000 0.866 361 T HN 0.475 nan 8.240 nan 0.000 0.434 362 W N 0.985 122.265 121.300 -0.033 0.000 2.418 362 W HA 0.248 4.911 4.660 0.005 0.000 0.292 362 W C 1.998 178.455 176.519 -0.103 0.000 1.213 362 W CA -0.308 57.002 57.345 -0.059 0.000 1.283 362 W CB -0.472 29.016 29.460 0.047 0.000 1.119 362 W HN 0.106 nan 8.180 nan 0.000 0.542 363 L N 0.872 122.197 121.223 0.171 0.000 2.447 363 L HA -0.180 4.163 4.340 0.006 0.000 0.225 363 L C 2.288 179.141 176.870 -0.028 0.000 1.148 363 L CA 1.100 55.965 54.840 0.041 0.000 0.808 363 L CB -0.491 41.676 42.059 0.179 0.000 0.928 363 L HN 0.102 nan 8.230 nan 0.000 0.448 364 R N -0.242 120.225 120.500 -0.055 0.000 2.193 364 R HA -0.121 4.222 4.340 0.006 0.000 0.229 364 R C 2.098 178.347 176.300 -0.086 0.000 1.110 364 R CA 1.001 57.086 56.100 -0.025 0.000 0.988 364 R CB -0.195 30.113 30.300 0.013 0.000 0.871 364 R HN 0.404 nan 8.270 nan 0.000 0.458 365 I N 0.310 120.729 120.570 -0.251 0.000 2.252 365 I HA -0.270 3.904 4.170 0.006 0.000 0.245 365 I C 2.287 178.416 176.117 0.019 0.000 1.102 365 I CA 1.005 62.284 61.300 -0.036 0.000 1.385 365 I CB -0.163 37.871 38.000 0.057 0.000 1.064 365 I HN 0.121 nan 8.210 nan 0.000 0.414 366 M N -0.008 119.475 119.600 -0.195 0.000 2.117 366 M HA -0.147 4.337 4.480 0.006 0.000 0.262 366 M C 2.457 178.579 176.300 -0.296 0.000 1.065 366 M CA 1.858 56.855 55.300 -0.506 0.000 1.114 366 M CB -1.596 30.242 32.600 -1.271 0.000 1.361 366 M HN 0.197 nan 8.290 nan 0.000 0.408 367 T N -0.091 114.458 114.554 -0.009 0.000 2.720 367 T HA -0.205 4.149 4.350 0.006 0.000 0.268 367 T C 1.695 176.526 174.700 0.218 0.000 1.037 367 T CA 1.560 63.822 62.100 0.271 0.000 1.144 367 T CB -0.485 68.562 68.868 0.299 0.000 0.864 367 T HN 0.362 nan 8.240 nan 0.000 0.444 368 Y N 2.157 122.492 120.300 0.059 0.000 2.133 368 Y HA -0.093 4.461 4.550 0.006 0.000 0.287 368 Y C 2.505 178.266 175.900 -0.233 0.000 1.134 368 Y CA 1.255 59.334 58.100 -0.035 0.000 1.133 368 Y CB -0.074 38.402 38.460 0.027 0.000 0.987 368 Y HN -0.089 nan 8.280 nan 0.000 0.502 369 R N -0.384 119.898 120.500 -0.362 0.000 2.092 369 R HA -0.080 4.264 4.340 0.006 0.000 0.231 369 R C 2.192 178.232 176.300 -0.434 0.000 1.119 369 R CA 1.489 57.297 56.100 -0.488 0.000 0.970 369 R CB -1.004 29.121 30.300 -0.292 0.000 0.864 369 R HN 0.364 nan 8.270 nan 0.000 0.440 370 V N -0.345 119.321 119.914 -0.413 0.000 2.535 370 V HA -0.068 4.056 4.120 0.006 0.000 0.246 370 V C 1.624 177.299 176.094 -0.697 0.000 1.045 370 V CA 1.486 63.441 62.300 -0.574 0.000 1.058 370 V CB -0.306 31.080 31.823 -0.727 0.000 0.689 370 V HN 0.090 nan 8.190 nan 0.000 0.461 371 F N -1.520 118.337 119.950 -0.155 0.000 2.549 371 F HA 0.166 4.696 4.527 0.005 0.000 0.275 371 F C 2.069 177.719 175.800 -0.249 0.000 0.990 371 F CA 0.499 58.419 58.000 -0.132 0.000 1.274 371 F CB -0.298 38.690 39.000 -0.020 0.000 1.064 371 F HN -0.194 nan 8.300 nan 0.000 0.715 372 V N 0.487 120.313 119.914 -0.146 0.000 2.270 372 V HA -0.272 3.851 4.120 0.006 0.000 0.245 372 V C 2.256 178.026 176.094 -0.541 0.000 1.043 372 V CA 2.310 64.376 62.300 -0.391 0.000 1.014 372 V CB -0.638 31.000 31.823 -0.309 0.000 0.645 372 V HN 0.339 nan 8.190 nan 0.000 0.447 373 E N 0.508 120.214 120.200 -0.824 0.000 2.097 373 E HA -0.222 4.131 4.350 0.006 0.000 0.196 373 E C 2.260 178.629 176.600 -0.385 0.000 1.000 373 E CA 1.592 57.571 56.400 -0.702 0.000 0.804 373 E CB -0.526 28.647 29.700 -0.880 0.000 0.740 373 E HN 0.583 nan 8.360 nan 0.000 0.454 374 G N 1.205 109.813 108.800 -0.321 0.000 2.418 374 G HA2 -0.319 3.645 3.960 0.006 0.000 0.217 374 G HA3 -0.319 3.645 3.960 0.006 0.000 0.217 374 G C 1.551 176.354 174.900 -0.162 0.000 1.158 374 G CA 0.979 45.966 45.100 -0.189 0.000 0.771 374 G HN 0.347 nan 8.290 nan 0.000 0.545 375 M N -0.006 119.478 119.600 -0.194 0.000 2.099 375 M HA 0.062 4.546 4.480 0.006 0.000 0.262 375 M C 2.443 178.601 176.300 -0.237 0.000 1.067 375 M CA 1.316 56.498 55.300 -0.198 0.000 1.124 375 M CB -0.224 32.234 32.600 -0.238 0.000 1.353 375 M HN 0.195 nan 8.290 nan 0.000 0.410 376 L N -0.120 120.939 121.223 -0.273 0.000 2.046 376 L HA -0.211 4.132 4.340 0.006 0.000 0.208 376 L C 2.663 179.454 176.870 -0.131 0.000 1.077 376 L CA 1.509 56.222 54.840 -0.213 0.000 0.747 376 L CB -0.786 41.176 42.059 -0.161 0.000 0.896 376 L HN 0.356 nan 8.230 nan 0.000 0.432 377 R N -0.679 119.744 120.500 -0.129 0.000 2.096 377 R HA -0.124 4.220 4.340 0.006 0.000 0.235 377 R C 2.312 178.570 176.300 -0.069 0.000 1.127 377 R CA 1.838 57.885 56.100 -0.088 0.000 0.968 377 R CB -0.577 29.658 30.300 -0.108 0.000 0.861 377 R HN 0.334 nan 8.270 nan 0.000 0.440 378 T N 0.721 115.225 114.554 -0.083 0.000 2.737 378 T HA -0.105 4.248 4.350 0.006 0.000 0.265 378 T C 1.937 176.600 174.700 -0.062 0.000 1.038 378 T CA 1.387 63.453 62.100 -0.057 0.000 1.144 378 T CB -0.205 68.631 68.868 -0.055 0.000 0.866 378 T HN 0.376 nan 8.240 nan 0.000 0.434 379 A N 1.905 124.646 122.820 -0.132 0.000 1.898 379 A HA -0.138 4.185 4.320 0.006 0.000 0.216 379 A C 2.128 179.728 177.584 0.026 0.000 1.181 379 A CA 1.611 53.540 52.037 -0.179 0.000 0.620 379 A CB -0.599 18.039 19.000 -0.603 0.000 0.819 379 A HN 0.340 nan 8.150 nan 0.000 0.442 380 D N 0.105 120.547 120.400 0.071 0.000 2.117 380 D HA -0.052 4.591 4.640 0.006 0.000 0.197 380 D C 2.253 178.600 176.300 0.078 0.000 0.987 380 D CA 1.460 55.556 54.000 0.159 0.000 0.829 380 D CB -0.377 40.489 40.800 0.110 0.000 0.961 380 D HN 0.419 nan 8.370 nan 0.000 0.460 381 A N 0.921 123.756 122.820 0.026 0.000 1.877 381 A HA -0.193 4.130 4.320 0.006 0.000 0.216 381 A C 2.154 179.752 177.584 0.024 0.000 1.186 381 A CA 1.251 53.291 52.037 0.004 0.000 0.620 381 A CB -0.363 18.624 19.000 -0.022 0.000 0.822 381 A HN 0.056 nan 8.150 nan 0.000 0.443 382 Q N -0.553 119.268 119.800 0.035 0.000 2.079 382 Q HA -0.039 4.305 4.340 0.006 0.000 0.200 382 Q C 2.436 178.472 176.000 0.059 0.000 0.974 382 Q CA 1.621 57.452 55.803 0.047 0.000 0.840 382 Q CB -0.800 27.966 28.738 0.048 0.000 0.898 382 Q HN 0.634 nan 8.270 nan 0.000 0.430 383 A N 0.881 123.756 122.820 0.092 0.000 1.902 383 A HA -0.083 4.240 4.320 0.006 0.000 0.217 383 A C 2.272 179.887 177.584 0.051 0.000 1.181 383 A CA 1.873 53.965 52.037 0.092 0.000 0.623 383 A CB -0.673 18.427 19.000 0.165 0.000 0.818 383 A HN 0.351 nan 8.150 nan 0.000 0.443 384 A N -1.390 121.460 122.820 0.049 0.000 2.019 384 A HA -0.144 4.180 4.320 0.006 0.000 0.219 384 A C 1.952 179.552 177.584 0.026 0.000 1.164 384 A CA 1.494 53.549 52.037 0.030 0.000 0.644 384 A CB -0.314 18.701 19.000 0.025 0.000 0.805 384 A HN 0.476 nan 8.150 nan 0.000 0.449 385 Q N -1.595 118.223 119.800 0.030 0.000 2.444 385 Q HA 0.137 4.481 4.340 0.006 0.000 0.206 385 Q C 1.299 177.314 176.000 0.025 0.000 0.948 385 Q CA 0.815 56.635 55.803 0.029 0.000 0.946 385 Q CB 0.151 28.909 28.738 0.033 0.000 1.027 385 Q HN 0.969 nan 8.270 nan 0.000 0.513 386 G N 0.247 109.061 108.800 0.023 0.000 2.176 386 G HA2 -0.269 3.694 3.960 0.006 0.000 0.253 386 G HA3 -0.269 3.694 3.960 0.006 0.000 0.253 386 G C 0.319 175.231 174.900 0.019 0.000 0.979 386 G CA 0.181 45.291 45.100 0.017 0.000 0.641 386 G HN 0.573 nan 8.290 nan 0.000 0.530 387 A N 0.132 122.969 122.820 0.029 0.000 2.340 387 A HA 0.582 4.905 4.320 0.006 0.000 0.268 387 A C 0.206 177.810 177.584 0.032 0.000 1.100 387 A CA -0.155 51.904 52.037 0.037 0.000 0.803 387 A CB 0.450 19.481 19.000 0.053 0.000 1.043 387 A HN 0.226 nan 8.150 nan 0.000 0.488 388 D N 0.648 121.070 120.400 0.037 0.000 2.389 388 D HA 0.383 5.027 4.640 0.006 0.000 0.247 388 D C -0.504 175.784 176.300 -0.021 0.000 1.128 388 D CA 0.575 54.566 54.000 -0.015 0.000 0.884 388 D CB 1.246 42.084 40.800 0.063 0.000 1.194 388 D HN 0.134 nan 8.370 nan 0.000 0.441 389 V N 3.138 122.946 119.914 -0.177 0.000 2.638 389 V HA 0.276 4.399 4.120 0.006 0.000 0.306 389 V C -1.040 174.841 176.094 -0.354 0.000 1.052 389 V CA -0.830 61.399 62.300 -0.119 0.000 0.885 389 V CB 1.411 33.254 31.823 0.033 0.000 0.999 389 V HN 0.374 nan 8.190 nan 0.000 0.424 390 Y N 4.225 124.470 120.300 -0.092 0.000 2.326 390 Y HA 0.646 5.199 4.550 0.005 0.000 0.331 390 Y C 0.130 176.151 175.900 0.201 0.000 0.962 390 Y CA -0.397 57.616 58.100 -0.145 0.000 1.167 390 Y CB 1.968 39.918 38.460 -0.849 0.000 1.148 390 Y HN 0.590 nan 8.280 nan 0.000 0.463 391 M N 5.539 125.503 119.600 0.608 0.000 2.472 391 M HA 0.544 5.027 4.480 0.006 0.000 0.331 391 M C -1.613 175.132 176.300 0.741 0.000 1.170 391 M CA -0.729 54.861 55.300 0.482 0.000 1.009 391 M CB 1.484 34.184 32.600 0.166 0.000 1.672 391 M HN 0.728 nan 8.290 nan 0.000 0.453 392 Y N 1.089 121.694 120.300 0.507 0.000 2.615 392 Y HA 0.730 5.283 4.550 0.005 0.000 0.341 392 Y C -1.820 174.318 175.900 0.396 0.000 1.089 392 Y CA -1.354 56.982 58.100 0.394 0.000 1.049 392 Y CB 1.269 40.060 38.460 0.552 0.000 1.296 392 Y HN 0.741 nan 8.280 nan 0.000 0.470 393 R N 2.527 123.337 120.500 0.517 0.000 2.532 393 R HA 0.493 4.836 4.340 0.006 0.000 0.297 393 R C -2.290 174.361 176.300 0.584 0.000 0.984 393 R CA -0.819 55.548 56.100 0.446 0.000 0.884 393 R CB 1.261 31.708 30.300 0.246 0.000 1.182 393 R HN 0.793 nan 8.270 nan 0.000 0.442 394 F N 4.684 124.919 119.950 0.475 0.000 2.350 394 F HA 0.276 4.807 4.527 0.006 0.000 0.365 394 F C -0.006 175.921 175.800 0.212 0.000 1.122 394 F CA -0.409 57.813 58.000 0.371 0.000 1.139 394 F CB 1.139 40.350 39.000 0.351 0.000 1.220 394 F HN 0.636 nan 8.300 nan 0.000 0.499 395 D N 3.835 124.062 120.400 -0.289 0.000 2.366 395 D HA -0.057 4.587 4.640 0.006 0.000 0.205 395 D C -0.195 175.881 176.300 -0.374 0.000 1.022 395 D CA 0.491 54.347 54.000 -0.239 0.000 0.868 395 D CB -0.234 40.494 40.800 -0.120 0.000 0.953 395 D HN 0.434 nan 8.370 nan 0.000 0.514 396 Y N 2.746 122.503 120.300 -0.906 0.000 2.802 396 Y HA -0.068 4.485 4.550 0.005 0.000 0.333 396 Y C 0.631 176.315 175.900 -0.361 0.000 1.244 396 Y CA -0.175 57.523 58.100 -0.671 0.000 1.558 396 Y CB 0.110 38.043 38.460 -0.879 0.000 1.233 396 Y HN -0.154 nan 8.280 nan 0.000 0.547 397 E N 4.671 124.454 120.200 -0.694 0.000 2.166 397 E HA 0.123 4.476 4.350 0.006 0.000 0.279 397 E C -0.871 175.387 176.600 -0.570 0.000 1.095 397 E CA 0.025 56.148 56.400 -0.462 0.000 0.888 397 E CB 0.323 29.826 29.700 -0.329 0.000 1.041 397 E HN 0.663 nan 8.360 nan 0.000 0.414 398 T N 6.334 120.781 114.554 -0.179 0.000 2.829 398 T HA 0.393 4.746 4.350 0.006 0.000 0.280 398 T C -2.068 172.643 174.700 0.018 0.000 0.999 398 T CA -1.235 60.866 62.100 0.001 0.000 0.983 398 T CB 1.530 70.595 68.868 0.329 0.000 0.968 398 T HN 0.493 nan 8.240 nan 0.000 0.446 399 P HA 0.501 nan 4.420 nan 0.000 0.274 399 P C -0.548 176.730 177.300 -0.036 0.000 1.264 399 P CA -0.428 62.695 63.100 0.038 0.000 0.795 399 P CB 0.292 32.079 31.700 0.145 0.000 1.064 406 K N 0.618 121.036 120.400 0.031 0.000 2.221 406 K HA 0.909 5.233 4.320 0.006 0.000 0.243 406 K C 0.327 176.908 176.600 -0.032 0.000 0.968 406 K CA 0.057 56.360 56.287 0.026 0.000 0.846 406 K CB 2.554 34.974 32.500 -0.132 0.000 1.141 406 K HN 0.596 nan 8.250 nan 0.000 0.434 410 A N 0.686 123.540 122.820 0.056 0.000 2.351 410 A HA 0.507 4.830 4.320 0.006 0.000 0.257 410 A C 0.768 178.373 177.584 0.036 0.000 1.087 410 A CA -0.280 51.787 52.037 0.050 0.000 0.798 410 A CB 0.491 19.539 19.000 0.080 0.000 1.033 410 A HN 0.546 nan 8.150 nan 0.000 0.488 411 L N 0.276 121.522 121.223 0.038 0.000 2.858 411 L HA 0.121 4.465 4.340 0.006 0.000 0.251 411 L C 1.378 178.123 176.870 -0.208 0.000 1.149 411 L CA 0.242 55.103 54.840 0.036 0.000 0.955 411 L CB -0.014 42.219 42.059 0.291 0.000 1.289 411 L HN 0.786 nan 8.230 nan 0.000 0.542 412 E N 0.557 120.473 120.200 -0.474 0.000 2.216 412 E HA -0.162 4.191 4.350 0.006 0.000 0.192 412 E C 1.855 178.273 176.600 -0.304 0.000 0.988 412 E CA 0.456 56.402 56.400 -0.757 0.000 0.834 412 E CB -0.049 29.262 29.700 -0.648 0.000 0.772 412 E HN 0.156 nan 8.360 nan 0.000 0.479 413 L N 1.883 123.008 121.223 -0.163 0.000 2.026 413 L HA -0.235 4.108 4.340 0.006 0.000 0.231 413 L C -0.769 175.962 176.870 -0.232 0.000 1.095 413 L CA 2.549 57.319 54.840 -0.117 0.000 0.810 413 L CB -1.079 40.917 42.059 -0.104 0.000 0.909 413 L HN 0.181 nan 8.230 nan 0.000 0.444 414 P HA -0.204 nan 4.420 nan 0.000 0.218 414 P C 1.671 178.574 177.300 -0.661 0.000 1.148 414 P CA 1.828 64.568 63.100 -0.599 0.000 0.822 414 P CB -0.259 30.970 31.700 -0.785 0.000 0.784 415 F N -0.451 119.286 119.950 -0.356 0.000 2.234 415 F HA -0.075 4.456 4.527 0.006 0.000 0.296 415 F C 2.618 178.125 175.800 -0.488 0.000 1.089 415 F CA 0.695 58.444 58.000 -0.418 0.000 1.343 415 F CB -1.468 37.324 39.000 -0.347 0.000 1.040 415 F HN -0.294 nan 8.300 nan 0.000 0.498 416 V N -0.619 119.087 119.914 -0.348 0.000 2.307 416 V HA -0.280 3.843 4.120 0.006 0.000 0.245 416 V C 1.967 177.839 176.094 -0.370 0.000 1.045 416 V CA 1.779 63.781 62.300 -0.497 0.000 1.024 416 V CB -0.630 30.820 31.823 -0.621 0.000 0.651 416 V HN 0.205 nan 8.190 nan 0.000 0.449 417 F N -1.269 118.381 119.950 -0.500 0.000 2.710 417 F HA 0.173 4.704 4.527 0.006 0.000 0.298 417 F C 1.464 176.784 175.800 -0.801 0.000 1.137 417 F CA 0.772 58.324 58.000 -0.747 0.000 1.444 417 F CB -0.257 38.450 39.000 -0.488 0.000 1.111 417 F HN 0.248 nan 8.300 nan 0.000 0.580 418 H N 0.911 119.588 119.070 -0.655 0.000 2.756 418 H HA -0.184 4.375 4.556 0.005 0.000 0.315 418 H C -0.355 174.762 175.328 -0.353 0.000 1.210 418 H CA 0.378 56.038 56.048 -0.646 0.000 1.150 418 H CB -1.600 27.458 29.762 -1.174 0.000 1.463 418 H HN 0.196 nan 8.280 nan 0.000 0.427 419 N N 1.277 119.812 118.700 -0.275 0.000 2.699 419 N HA 0.158 4.902 4.740 0.006 0.000 0.317 419 N C 1.716 176.923 175.510 -0.504 0.000 1.661 419 N CA -0.266 52.524 53.050 -0.433 0.000 0.979 419 N CB 0.137 38.366 38.487 -0.430 0.000 1.329 419 N HN 0.441 nan 8.380 nan 0.000 0.497 420 L N 0.121 121.170 121.223 -0.290 0.000 2.217 420 L HA -0.119 4.225 4.340 0.006 0.000 0.211 420 L C 2.292 179.050 176.870 -0.185 0.000 1.107 420 L CA 0.909 55.576 54.840 -0.289 0.000 0.783 420 L CB -0.308 41.624 42.059 -0.211 0.000 0.919 420 L HN 0.400 nan 8.230 nan 0.000 0.442 421 H N -1.198 117.785 119.070 -0.145 0.000 2.343 421 H HA 0.040 4.599 4.556 0.006 0.000 0.303 421 H C 0.658 175.927 175.328 -0.099 0.000 1.068 421 H CA -0.180 55.809 56.048 -0.098 0.000 1.359 421 H CB -0.798 28.927 29.762 -0.062 0.000 1.402 421 H HN 0.202 nan 8.280 nan 0.000 0.515 422 Q N 3.457 122.900 119.800 -0.597 0.000 2.492 422 Q HA -0.009 4.334 4.340 0.006 0.000 0.366 422 Q C -1.885 174.019 176.000 -0.159 0.000 1.172 422 Q CA -0.342 55.259 55.803 -0.336 0.000 1.089 422 Q CB 0.017 28.529 28.738 -0.376 0.000 1.174 422 Q HN 0.423 nan 8.270 nan 0.000 0.421 423 P HA 0.058 nan 4.420 nan 0.000 0.274 423 P C 0.660 178.022 177.300 0.103 0.000 1.246 423 P CA 0.654 63.749 63.100 -0.009 0.000 0.795 423 P CB 0.723 32.420 31.700 -0.004 0.000 1.006 424 G N -0.525 108.342 108.800 0.111 0.000 2.458 424 G HA2 -0.259 3.704 3.960 0.006 0.000 0.237 424 G HA3 -0.259 3.704 3.960 0.006 0.000 0.237 424 G C 0.159 175.003 174.900 -0.092 0.000 1.113 424 G CA 0.279 45.574 45.100 0.325 0.000 0.655 424 G HN 0.576 nan 8.290 nan 0.000 0.513 425 V N 2.115 121.806 119.914 -0.372 0.000 2.872 425 V HA 0.396 4.519 4.120 0.006 0.000 0.307 425 V C 1.614 177.378 176.094 -0.551 0.000 1.072 425 V CA 0.652 62.537 62.300 -0.693 0.000 1.148 425 V CB 1.364 32.835 31.823 -0.585 0.000 0.954 425 V HN 1.380 nan 8.190 nan 0.000 0.490 426 A N 3.880 126.320 122.820 -0.634 0.000 3.004 426 A HA 0.067 4.391 4.320 0.006 0.000 0.254 426 A C 0.758 177.847 177.584 -0.825 0.000 1.857 426 A CA 0.080 51.645 52.037 -0.785 0.000 1.460 426 A CB -1.269 17.350 19.000 -0.634 0.000 0.963 426 A HN 0.832 nan 8.150 nan 0.000 0.624 427 N N 1.269 119.608 118.700 -0.602 0.000 2.448 427 N HA 0.324 5.067 4.740 0.006 0.000 0.250 427 N C -1.009 174.443 175.510 -0.098 0.000 1.136 427 N CA 0.318 53.180 53.050 -0.314 0.000 0.953 427 N CB -0.416 37.968 38.487 -0.171 0.000 1.251 427 N HN 0.403 nan 8.380 nan 0.000 0.502 428 F N 1.408 121.337 119.950 -0.036 0.000 2.579 428 F HA 0.379 4.909 4.527 0.005 0.000 0.324 428 F C 0.565 176.364 175.800 -0.000 0.000 1.058 428 F CA -1.726 56.263 58.000 -0.017 0.000 0.944 428 F CB 1.471 40.461 39.000 -0.016 0.000 1.245 428 F HN -0.033 nan 8.300 nan 0.000 0.477 429 V N 2.199 122.234 119.914 0.201 0.000 2.763 429 V HA 0.561 4.685 4.120 0.006 0.000 0.306 429 V C 0.082 176.236 176.094 0.101 0.000 1.059 429 V CA 0.882 63.246 62.300 0.107 0.000 1.138 429 V CB 0.432 32.286 31.823 0.052 0.000 0.940 429 V HN 0.988 nan 8.190 nan 0.000 0.489 430 G N 5.236 114.087 108.800 0.085 0.000 2.885 430 G HA2 -0.056 3.907 3.960 0.006 0.000 0.685 430 G HA3 -0.056 3.907 3.960 0.006 0.000 0.685 430 G C -0.300 174.665 174.900 0.107 0.000 1.216 430 G CA -0.391 44.759 45.100 0.083 0.000 0.790 430 G HN 1.644 nan 8.290 nan 0.000 0.631 431 N N -0.358 118.402 118.700 0.099 0.000 2.740 431 N HA -0.188 4.556 4.740 0.006 0.000 0.248 431 N C 1.587 177.168 175.510 0.119 0.000 1.062 431 N CA 1.282 54.406 53.050 0.123 0.000 0.704 431 N CB -0.460 38.142 38.487 0.192 0.000 0.968 431 N HN 0.874 nan 8.380 nan 0.000 0.547 432 R N 0.845 121.396 120.500 0.086 0.000 2.070 432 R HA -0.094 4.249 4.340 0.006 0.000 0.233 432 R C -0.857 175.479 176.300 0.061 0.000 1.137 432 R CA 1.737 57.880 56.100 0.071 0.000 0.945 432 R CB -0.563 29.769 30.300 0.053 0.000 0.845 432 R HN 0.206 nan 8.270 nan 0.000 0.430 433 P HA -0.155 nan 4.420 nan 0.000 0.216 433 P C 0.760 178.079 177.300 0.031 0.000 1.150 433 P CA 1.334 64.458 63.100 0.040 0.000 0.837 433 P CB -0.022 31.700 31.700 0.036 0.000 0.786 434 E N -0.060 120.161 120.200 0.035 0.000 2.072 434 E HA -0.152 4.202 4.350 0.006 0.000 0.191 434 E C 2.037 178.588 176.600 -0.081 0.000 0.985 434 E CA 1.352 57.747 56.400 -0.008 0.000 0.801 434 E CB -0.501 29.225 29.700 0.044 0.000 0.750 434 E HN 0.049 nan 8.360 nan 0.000 0.452 435 R N 0.237 120.750 120.500 0.022 0.000 2.096 435 R HA -0.084 4.260 4.340 0.006 0.000 0.235 435 R C 2.263 178.606 176.300 0.072 0.000 1.127 435 R CA 1.396 57.559 56.100 0.106 0.000 0.968 435 R CB -0.197 30.234 30.300 0.219 0.000 0.861 435 R HN 0.225 nan 8.270 nan 0.000 0.440 436 E N 0.676 120.895 120.200 0.031 0.000 2.077 436 E HA -0.163 4.191 4.350 0.006 0.000 0.193 436 E C 2.074 178.689 176.600 0.025 0.000 0.989 436 E CA 1.300 57.711 56.400 0.019 0.000 0.800 436 E CB -0.220 29.513 29.700 0.055 0.000 0.746 436 E HN 0.335 nan 8.360 nan 0.000 0.452 437 A N 1.477 124.306 122.820 0.015 0.000 1.883 437 A HA -0.185 4.138 4.320 0.006 0.000 0.217 437 A C 2.339 179.936 177.584 0.023 0.000 1.186 437 A CA 1.409 53.463 52.037 0.028 0.000 0.624 437 A CB -0.758 18.245 19.000 0.004 0.000 0.822 437 A HN 0.174 nan 8.150 nan 0.000 0.444 438 I N -0.275 120.246 120.570 -0.081 0.000 2.226 438 I HA -0.264 3.910 4.170 0.006 0.000 0.245 438 I C 2.954 179.053 176.117 -0.029 0.000 1.100 438 I CA 1.063 62.284 61.300 -0.132 0.000 1.374 438 I CB -0.387 37.294 38.000 -0.531 0.000 1.057 438 I HN 0.347 nan 8.210 nan 0.000 0.413 439 A N 0.946 123.781 122.820 0.026 0.000 1.902 439 A HA -0.238 4.085 4.320 0.006 0.000 0.217 439 A C 2.041 179.611 177.584 -0.023 0.000 1.181 439 A CA 2.138 54.113 52.037 -0.103 0.000 0.623 439 A CB -1.099 17.582 19.000 -0.530 0.000 0.818 439 A HN 0.514 nan 8.150 nan 0.000 0.443 440 N N -0.791 117.986 118.700 0.129 0.000 2.364 440 N HA -0.142 4.601 4.740 0.006 0.000 0.183 440 N C 1.660 177.443 175.510 0.454 0.000 1.022 440 N CA 1.125 54.412 53.050 0.396 0.000 0.883 440 N CB -0.073 38.605 38.487 0.318 0.000 0.965 440 N HN 0.656 nan 8.380 nan 0.000 0.438 441 E N 0.390 120.778 120.200 0.313 0.000 2.060 441 E HA -0.004 4.350 4.350 0.006 0.000 0.189 441 E C 1.929 178.767 176.600 0.396 0.000 0.974 441 E CA 0.765 57.420 56.400 0.425 0.000 0.808 441 E CB 0.151 30.120 29.700 0.448 0.000 0.768 441 E HN 0.338 nan 8.360 nan 0.000 0.453 442 M N -0.150 119.486 119.600 0.059 0.000 2.123 442 M HA -0.108 4.376 4.480 0.006 0.000 0.263 442 M C 2.392 178.655 176.300 -0.061 0.000 1.069 442 M CA 1.173 56.328 55.300 -0.241 0.000 1.133 442 M CB -0.590 31.549 32.600 -0.769 0.000 1.356 442 M HN 0.243 nan 8.290 nan 0.000 0.415 443 H N -0.148 118.804 119.070 -0.198 0.000 2.289 443 H HA -0.230 4.329 4.556 0.005 0.000 0.294 443 H C 1.845 177.091 175.328 -0.137 0.000 1.095 443 H CA 2.219 58.126 56.048 -0.235 0.000 1.256 443 H CB 0.048 29.604 29.762 -0.343 0.000 1.359 443 H HN 0.330 nan 8.280 nan 0.000 0.487 444 Y N -0.203 120.130 120.300 0.054 0.000 2.395 444 Y HA -0.009 4.544 4.550 0.006 0.000 0.293 444 Y C 2.717 178.450 175.900 -0.278 0.000 1.123 444 Y CA 0.757 58.736 58.100 -0.202 0.000 1.227 444 Y CB -0.284 37.968 38.460 -0.347 0.000 1.012 444 Y HN 0.289 nan 8.280 nan 0.000 0.552 445 A N -0.426 122.506 122.820 0.187 0.000 1.930 445 A HA -0.171 4.152 4.320 0.006 0.000 0.217 445 A C 2.103 179.930 177.584 0.404 0.000 1.175 445 A CA 1.027 53.337 52.037 0.454 0.000 0.627 445 A CB -1.100 18.387 19.000 0.812 0.000 0.815 445 A HN 0.669 nan 8.150 nan 0.000 0.443 446 W N -0.106 121.226 121.300 0.054 0.000 2.381 446 W HA -0.098 4.565 4.660 0.005 0.000 0.301 446 W C 1.931 178.399 176.519 -0.086 0.000 1.205 446 W CA 0.859 58.206 57.345 0.004 0.000 1.285 446 W CB -0.192 29.280 29.460 0.020 0.000 1.133 446 W HN 0.288 nan 8.180 nan 0.000 0.521 447 L N -0.205 121.084 121.223 0.110 0.000 2.046 447 L HA -0.230 4.114 4.340 0.006 0.000 0.208 447 L C 2.492 179.347 176.870 -0.025 0.000 1.077 447 L CA 1.181 55.996 54.840 -0.043 0.000 0.747 447 L CB -0.898 41.118 42.059 -0.072 0.000 0.896 447 L HN -0.192 nan 8.230 nan 0.000 0.432 448 S N -0.452 115.258 115.700 0.016 0.000 2.368 448 S HA -0.180 4.293 4.470 0.006 0.000 0.224 448 S C 1.774 176.356 174.600 -0.030 0.000 1.029 448 S CA 1.198 59.404 58.200 0.011 0.000 0.988 448 S CB -0.363 62.881 63.200 0.073 0.000 0.838 448 S HN 0.342 nan 8.310 nan 0.000 0.462 449 F N 2.535 122.380 119.950 -0.176 0.000 2.134 449 F HA -0.073 4.457 4.527 0.005 0.000 0.299 449 F C 2.290 177.971 175.800 -0.199 0.000 1.097 449 F CA 1.022 58.869 58.000 -0.255 0.000 1.264 449 F CB -0.662 38.111 39.000 -0.378 0.000 1.001 449 F HN 0.175 nan 8.300 nan 0.000 0.479 450 A N 0.226 122.931 122.820 -0.191 0.000 1.969 450 A HA -0.141 4.182 4.320 0.006 0.000 0.218 450 A C 2.379 179.826 177.584 -0.228 0.000 1.169 450 A CA 1.516 53.400 52.037 -0.256 0.000 0.635 450 A CB -0.735 18.123 19.000 -0.236 0.000 0.810 450 A HN 0.459 nan 8.150 nan 0.000 0.445 451 R N -0.580 119.819 120.500 -0.168 0.000 2.057 451 R HA -0.090 4.253 4.340 0.006 0.000 0.229 451 R C 1.817 178.034 176.300 -0.139 0.000 1.136 451 R CA 2.029 58.059 56.100 -0.118 0.000 0.952 451 R CB -0.145 30.117 30.300 -0.063 0.000 0.848 451 R HN 0.593 nan 8.270 nan 0.000 0.430 452 T N -4.933 109.519 114.554 -0.169 0.000 3.043 452 T HA 0.279 4.633 4.350 0.006 0.000 0.272 452 T C 0.938 175.497 174.700 -0.234 0.000 0.990 452 T CA 0.333 62.338 62.100 -0.159 0.000 0.897 452 T CB 1.268 70.083 68.868 -0.088 0.000 1.111 452 T HN 0.399 nan 8.240 nan 0.000 0.529 453 G N 1.184 109.720 108.800 -0.441 0.000 2.143 453 G HA2 -0.166 3.798 3.960 0.006 0.000 0.249 453 G HA3 -0.166 3.798 3.960 0.006 0.000 0.249 453 G C -0.394 174.356 174.900 -0.251 0.000 0.981 453 G CA 0.136 44.870 45.100 -0.611 0.000 0.665 453 G HN 0.774 nan 8.290 nan 0.000 0.528 454 D N -0.600 119.684 120.400 -0.194 0.000 2.788 454 D HA 0.467 5.110 4.640 0.006 0.000 0.247 454 D C -1.598 174.559 176.300 -0.238 0.000 1.236 454 D CA -1.659 52.195 54.000 -0.243 0.000 0.898 454 D CB 2.280 43.018 40.800 -0.105 0.000 1.401 454 D HN 0.003 nan 8.370 nan 0.000 0.549 455 P HA 0.005 nan 4.420 nan 0.000 0.245 455 P C 0.011 177.360 177.300 0.082 0.000 1.206 455 P CA -0.106 62.882 63.100 -0.187 0.000 0.781 455 P CB 0.467 31.859 31.700 -0.512 0.000 0.994 456 N N 0.829 119.499 118.700 -0.050 0.000 2.453 456 N HA 0.331 5.075 4.740 0.006 0.000 0.253 456 N C 0.950 176.503 175.510 0.072 0.000 1.252 456 N CA 1.165 54.217 53.050 0.003 0.000 0.917 456 N CB 0.697 39.184 38.487 0.000 0.000 1.117 456 N HN 0.144 nan 8.380 nan 0.000 0.442 457 G N -1.369 107.348 108.800 -0.139 0.000 2.321 457 G HA2 0.290 4.253 3.960 0.006 0.000 0.298 457 G HA3 0.290 4.253 3.960 0.006 0.000 0.298 457 G C -0.027 174.721 174.900 -0.254 0.000 1.385 457 G CA -0.092 44.967 45.100 -0.068 0.000 0.856 457 G HN 0.489 nan 8.290 nan 0.000 0.584 458 A N -0.192 122.603 122.820 -0.040 0.000 2.225 458 A HA 0.057 4.380 4.320 0.006 0.000 0.215 458 A C 1.707 179.277 177.584 -0.022 0.000 1.164 458 A CA 1.976 53.995 52.037 -0.028 0.000 0.710 458 A CB -0.919 18.094 19.000 0.021 0.000 0.780 458 A HN 1.106 nan 8.150 nan 0.000 0.473 459 H N -1.212 117.890 119.070 0.053 0.000 2.547 459 H HA 0.228 4.788 4.556 0.006 0.000 0.272 459 H C 0.184 175.596 175.328 0.141 0.000 0.989 459 H CA 0.167 56.264 56.048 0.082 0.000 1.214 459 H CB -0.487 29.348 29.762 0.122 0.000 1.389 459 H HN 0.383 nan 8.280 nan 0.000 0.577 460 L N 3.029 124.116 121.223 -0.227 0.000 2.317 460 L HA 0.219 4.562 4.340 0.006 0.000 0.281 460 L C -1.050 175.852 176.870 0.053 0.000 1.024 460 L CA -2.182 52.623 54.840 -0.058 0.000 0.810 460 L CB 2.004 43.912 42.059 -0.253 0.000 1.240 460 L HN -0.084 nan 8.230 nan 0.000 0.427 461 P HA -0.155 nan 4.420 nan 0.000 0.218 461 P C -0.157 177.219 177.300 0.126 0.000 1.148 461 P CA 1.301 64.479 63.100 0.130 0.000 0.822 461 P CB 0.303 32.083 31.700 0.134 0.000 0.784 462 E N -1.611 118.709 120.200 0.200 0.000 2.449 462 E HA 0.627 4.981 4.350 0.006 0.000 0.278 462 E C -1.241 175.494 176.600 0.224 0.000 0.992 462 E CA -1.311 55.198 56.400 0.182 0.000 0.807 462 E CB 1.093 30.893 29.700 0.167 0.000 1.350 462 E HN -0.062 nan 8.360 nan 0.000 0.462 463 A N 1.098 124.027 122.820 0.181 0.000 2.498 463 A HA 0.148 4.472 4.320 0.006 0.000 0.239 463 A C -0.982 176.803 177.584 0.336 0.000 1.068 463 A CA -0.179 51.974 52.037 0.194 0.000 0.766 463 A CB -0.081 19.015 19.000 0.159 0.000 1.003 463 A HN 0.589 nan 8.150 nan 0.000 0.497 464 W N 5.226 126.568 121.300 0.070 0.000 2.288 464 W HA 0.516 5.179 4.660 0.005 0.000 0.325 464 W C -2.806 173.872 176.519 0.266 0.000 1.019 464 W CA -3.150 54.286 57.345 0.152 0.000 1.403 464 W CB 0.439 29.832 29.460 -0.111 0.000 1.226 464 W HN 0.408 nan 8.180 nan 0.000 0.391 465 P HA 0.207 nan 4.420 nan 0.000 0.275 465 P C -0.380 177.111 177.300 0.319 0.000 1.228 465 P CA 0.006 63.332 63.100 0.377 0.000 0.786 465 P CB 0.810 32.670 31.700 0.267 0.000 0.927 466 A N 2.688 125.538 122.820 0.049 0.000 2.407 466 A HA 0.144 4.467 4.320 0.006 0.000 0.248 466 A C -0.596 176.949 177.584 -0.064 0.000 1.082 466 A CA -0.132 51.697 52.037 -0.347 0.000 0.785 466 A CB -0.477 18.267 19.000 -0.425 0.000 1.020 466 A HN 0.589 nan 8.150 nan 0.000 0.489 467 Y N 2.420 122.614 120.300 -0.177 0.000 2.480 467 Y HA 0.408 4.962 4.550 0.006 0.000 0.341 467 Y C 0.791 176.667 175.900 -0.041 0.000 1.031 467 Y CA 0.811 58.895 58.100 -0.026 0.000 1.295 467 Y CB 0.398 38.865 38.460 0.012 0.000 1.162 467 Y HN 0.786 nan 8.280 nan 0.000 0.523 468 T N 2.153 116.408 114.554 -0.498 0.000 2.907 468 T HA 0.195 4.549 4.350 0.006 0.000 0.292 468 T C 0.703 175.080 174.700 -0.538 0.000 1.043 468 T CA -1.024 60.845 62.100 -0.385 0.000 1.003 468 T CB 1.575 70.334 68.868 -0.182 0.000 1.084 468 T HN 0.730 nan 8.240 nan 0.000 0.483 469 N N 0.366 118.875 118.700 -0.317 0.000 2.381 469 N HA -0.154 4.589 4.740 0.006 0.000 0.182 469 N C 1.465 176.880 175.510 -0.157 0.000 1.025 469 N CA 1.537 54.452 53.050 -0.225 0.000 0.888 469 N CB -0.029 38.403 38.487 -0.091 0.000 0.965 469 N HN 0.871 nan 8.380 nan 0.000 0.438 470 E N 0.893 121.012 120.200 -0.135 0.000 2.028 470 E HA -0.128 4.225 4.350 0.006 0.000 0.191 470 E C 2.122 178.675 176.600 -0.077 0.000 0.988 470 E CA 1.281 57.633 56.400 -0.082 0.000 0.799 470 E CB -0.242 29.422 29.700 -0.060 0.000 0.755 470 E HN 0.229 nan 8.360 nan 0.000 0.447 471 R N -0.240 120.198 120.500 -0.103 0.000 2.195 471 R HA 0.147 4.490 4.340 0.006 0.000 0.197 471 R C 0.089 176.348 176.300 -0.068 0.000 0.990 471 R CA 0.503 56.566 56.100 -0.061 0.000 1.048 471 R CB 0.252 30.535 30.300 -0.028 0.000 0.997 471 R HN -0.001 nan 8.270 nan 0.000 0.502 472 K N 0.401 120.672 120.400 -0.215 0.000 3.148 472 K HA -0.182 4.141 4.320 0.006 0.000 0.267 472 K C -0.761 175.928 176.600 0.148 0.000 0.996 472 K CA 0.327 56.498 56.287 -0.193 0.000 0.737 472 K CB -1.414 31.097 32.500 0.018 0.000 1.308 472 K HN 0.385 nan 8.250 nan 0.000 0.470 473 A N 0.615 123.520 122.820 0.142 0.000 2.407 473 A HA 0.661 4.984 4.320 0.006 0.000 0.248 473 A C 0.326 178.137 177.584 0.379 0.000 1.082 473 A CA 0.383 52.556 52.037 0.226 0.000 0.785 473 A CB 0.753 19.874 19.000 0.201 0.000 1.020 473 A HN 0.541 nan 8.150 nan 0.000 0.489 474 A N 1.093 124.084 122.820 0.284 0.000 2.486 474 A HA 0.648 4.971 4.320 0.006 0.000 0.300 474 A C -1.056 176.554 177.584 0.043 0.000 1.048 474 A CA -0.452 51.764 52.037 0.298 0.000 0.696 474 A CB 0.815 19.984 19.000 0.281 0.000 1.278 474 A HN 1.034 nan 8.150 nan 0.000 0.405 475 F N 2.068 121.801 119.950 -0.362 0.000 2.394 475 F HA 0.561 5.091 4.527 0.005 0.000 0.340 475 F C -0.137 175.280 175.800 -0.637 0.000 1.105 475 F CA -0.114 57.388 58.000 -0.831 0.000 1.124 475 F CB 1.533 39.374 39.000 -1.930 0.000 1.145 475 F HN 0.312 nan 8.300 nan 0.000 0.505 476 V N 7.176 126.421 119.914 -1.115 0.000 2.357 476 V HA 0.248 4.372 4.120 0.006 0.000 0.284 476 V C -0.514 175.139 176.094 -0.735 0.000 1.018 476 V CA -0.741 61.127 62.300 -0.721 0.000 0.841 476 V CB 0.720 32.063 31.823 -0.799 0.000 0.991 476 V HN 0.511 nan 8.190 nan 0.000 0.437 477 F N 4.262 124.129 119.950 -0.139 0.000 2.424 477 F HA 0.614 5.145 4.527 0.006 0.000 0.356 477 F C 0.905 176.569 175.800 -0.227 0.000 1.110 477 F CA 0.328 58.283 58.000 -0.074 0.000 1.161 477 F CB 1.441 40.519 39.000 0.129 0.000 1.115 477 F HN 0.676 nan 8.300 nan 0.000 0.507 478 S N 1.602 117.278 115.700 -0.041 0.000 2.755 478 S HA 0.635 5.108 4.470 0.006 0.000 0.286 478 S C 0.465 175.026 174.600 -0.065 0.000 1.207 478 S CA -0.362 57.789 58.200 -0.082 0.000 0.892 478 S CB 0.864 64.036 63.200 -0.047 0.000 1.240 478 S HN 0.562 nan 8.310 nan 0.000 0.525 479 A N 0.088 122.908 122.820 -0.000 0.000 2.070 479 A HA 0.530 4.853 4.320 0.006 0.000 0.220 479 A C 1.260 178.837 177.584 -0.012 0.000 1.159 479 A CA 1.392 53.423 52.037 -0.011 0.000 0.656 479 A CB -0.982 18.055 19.000 0.060 0.000 0.800 479 A HN 1.854 nan 8.150 nan 0.000 0.453 480 A N -0.135 122.683 122.820 -0.004 0.000 3.266 480 A HA 0.572 4.895 4.320 0.006 0.000 0.310 480 A C 0.107 177.708 177.584 0.028 0.000 1.066 480 A CA -0.312 51.725 52.037 0.000 0.000 0.839 480 A CB -0.057 18.927 19.000 -0.028 0.000 1.192 480 A HN 0.135 nan 8.150 nan 0.000 0.496 481 S N 2.928 118.616 115.700 -0.021 0.000 2.558 481 S HA 0.407 4.880 4.470 0.006 0.000 0.287 481 S C 0.198 174.620 174.600 -0.297 0.000 1.321 481 S CA 0.388 58.455 58.200 -0.222 0.000 1.048 481 S CB 0.040 63.149 63.200 -0.153 0.000 0.844 481 S HN 0.938 nan 8.310 nan 0.000 0.512 482 H N -1.808 116.770 119.070 -0.821 0.000 2.932 482 H HA 0.503 5.062 4.556 0.006 0.000 0.307 482 H C -1.719 173.120 175.328 -0.814 0.000 1.391 482 H CA -0.933 54.725 56.048 -0.651 0.000 1.130 482 H CB 0.079 29.645 29.762 -0.326 0.000 1.836 482 H HN 0.359 nan 8.280 nan 0.000 0.522 483 V N 0.903 120.572 119.914 -0.408 0.000 2.539 483 V HA 0.317 4.441 4.120 0.006 0.000 0.292 483 V C 0.130 176.146 176.094 -0.129 0.000 1.045 483 V CA -0.390 61.743 62.300 -0.278 0.000 0.945 483 V CB 1.368 33.193 31.823 0.004 0.000 0.993 483 V HN 0.679 nan 8.190 nan 0.000 0.464 484 E N 1.938 122.059 120.200 -0.131 0.000 2.272 484 E HA 0.358 4.711 4.350 0.006 0.000 0.269 484 E C -1.656 174.949 176.600 0.008 0.000 0.877 484 E CA -0.814 55.558 56.400 -0.048 0.000 0.755 484 E CB 1.986 31.623 29.700 -0.105 0.000 1.192 484 E HN 0.636 nan 8.360 nan 0.000 0.422 485 D N 2.394 122.810 120.400 0.027 0.000 2.295 485 D HA 0.068 4.711 4.640 0.006 0.000 0.248 485 D C -0.221 176.110 176.300 0.052 0.000 1.154 485 D CA -0.049 53.981 54.000 0.050 0.000 0.857 485 D CB 0.959 41.781 40.800 0.038 0.000 1.117 485 D HN 0.501 nan 8.370 nan 0.000 0.468 486 D N 2.388 122.849 120.400 0.101 0.000 2.740 486 D HA -0.159 4.484 4.640 0.006 0.000 0.231 486 D C -1.253 175.093 176.300 0.077 0.000 1.194 486 D CA 0.034 54.115 54.000 0.134 0.000 0.673 486 D CB 0.087 40.946 40.800 0.098 0.000 0.995 486 D HN 0.265 nan 8.370 nan 0.000 0.411 487 P HA -0.161 nan 4.420 nan 0.000 0.220 487 P C 1.233 178.375 177.300 -0.264 0.000 1.148 487 P CA 0.992 63.971 63.100 -0.202 0.000 0.803 487 P CB -0.163 31.305 31.700 -0.387 0.000 0.782 488 F N -0.414 119.594 119.950 0.096 0.000 2.732 488 F HA 0.309 4.839 4.527 0.006 0.000 0.303 488 F C 2.444 178.277 175.800 0.056 0.000 1.110 488 F CA 0.154 58.213 58.000 0.099 0.000 1.355 488 F CB -0.894 38.188 39.000 0.137 0.000 1.081 488 F HN -0.081 nan 8.300 nan 0.000 0.565 489 G N 0.968 109.870 108.800 0.170 0.000 2.514 489 G HA2 -0.273 3.690 3.960 0.006 0.000 0.217 489 G HA3 -0.273 3.690 3.960 0.006 0.000 0.217 489 G C 1.907 176.815 174.900 0.014 0.000 1.198 489 G CA 0.731 45.890 45.100 0.099 0.000 0.780 489 G HN 0.239 nan 8.290 nan 0.000 0.565 490 R N 0.173 120.657 120.500 -0.027 0.000 2.083 490 R HA -0.078 4.265 4.340 0.006 0.000 0.237 490 R C 2.547 178.598 176.300 -0.415 0.000 1.137 490 R CA 1.528 57.555 56.100 -0.122 0.000 0.951 490 R CB -0.390 29.910 30.300 -0.001 0.000 0.851 490 R HN 0.595 nan 8.270 nan 0.000 0.434 491 E N 0.810 120.702 120.200 -0.512 0.000 2.051 491 E HA -0.243 4.110 4.350 0.006 0.000 0.192 491 E C 2.173 178.540 176.600 -0.389 0.000 0.991 491 E CA 1.177 57.087 56.400 -0.817 0.000 0.799 491 E CB -0.002 29.501 29.700 -0.329 0.000 0.748 491 E HN 0.163 nan 8.360 nan 0.000 0.449 492 R N 0.023 120.458 120.500 -0.109 0.000 2.083 492 R HA -0.177 4.166 4.340 0.006 0.000 0.237 492 R C 2.257 178.584 176.300 0.045 0.000 1.137 492 R CA 1.455 57.584 56.100 0.050 0.000 0.951 492 R CB -0.382 30.008 30.300 0.149 0.000 0.851 492 R HN 0.246 nan 8.270 nan 0.000 0.434 493 A N 0.629 123.433 122.820 -0.026 0.000 1.972 493 A HA -0.116 4.207 4.320 0.006 0.000 0.219 493 A C 2.328 179.878 177.584 -0.057 0.000 1.169 493 A CA 1.672 53.694 52.037 -0.024 0.000 0.635 493 A CB -0.678 18.298 19.000 -0.041 0.000 0.810 493 A HN 0.560 nan 8.150 nan 0.000 0.446 494 A N -1.595 121.123 122.820 -0.170 0.000 1.972 494 A HA -0.130 4.193 4.320 0.006 0.000 0.219 494 A C 1.899 179.371 177.584 -0.186 0.000 1.169 494 A CA 1.446 53.342 52.037 -0.235 0.000 0.635 494 A CB -0.700 18.011 19.000 -0.482 0.000 0.810 494 A HN 0.752 nan 8.150 nan 0.000 0.446 495 W N -0.489 120.704 121.300 -0.179 0.000 2.539 495 W HA 0.198 4.861 4.660 0.006 0.000 0.281 495 W C 1.542 178.054 176.519 -0.012 0.000 1.220 495 W CA 0.519 57.825 57.345 -0.065 0.000 1.332 495 W CB 0.069 29.511 29.460 -0.030 0.000 1.095 495 W HN 0.280 nan 8.180 nan 0.000 0.571 496 Q N 0.000 119.926 119.800 0.209 0.000 2.315 496 Q HA 0.000 4.343 4.340 0.006 0.000 0.214 496 Q CA 0.000 55.882 55.803 0.131 0.000 1.022 496 Q CB 0.000 28.815 28.738 0.128 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481