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 1b2h_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADVPAGVQLA DKQTLVRNNG SEVQSLDPHK IEGVPESNVS RDLFEGLLIS DATA SEQUENCE DVEGHPSPGV AEKWENKDFK VWTFHLRENA KWSDGTPVTA HDFVYSWQRL DATA SEQUENCE ADPNTASPYA SYLQYGHIAN IDDIIAGKKP ATDLGVKALD DHTFEVTLSE DATA SEQUENCE PVPYFYKLLV HPSVSPVPKS AVEKFGDKWT QPANIVTNGA YKLKNWVVNE DATA SEQUENCE RIVLERNPQY WDNAKTVINQ VTYLPISSEV TDVNRYRSGE IDMTYNNMPI DATA SEQUENCE ELFQKLKKEI PNEVRVDPYL cTYYYEINNQ KAPFNDVRVR TALKLALDRD DATA SEQUENCE IIVNKVKNQG DLPAYSYTPP YTDGAKLVEP EWFKWSQQKR NEEAKKLLAE DATA SEQUENCE AGFTADKPLT FDLLYNTSDL HKKLAIAVAS IWKKNLGVNV NLENQEWKTF DATA SEQUENCE LDTRHQGTFD VARAGWcADY NEPTSFLNTM LSDSSNNTAH YKSPAFDKLI DATA SEQUENCE ADTLKVADDT QRSELYAKAE QQLDKDSAIV PVYYYVNARL VKPWVGGYTG DATA SEQUENCE KDPLDNIYVK NLYIIKH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.629 177.584 0.076 0.000 1.274 1 A CA 0.000 52.120 52.037 0.139 0.000 0.836 1 A CB 0.000 19.133 19.000 0.221 0.000 0.831 2 D N 1.922 122.375 120.400 0.088 0.000 2.477 2 D HA 0.408 5.097 4.640 0.081 0.000 0.239 2 D C -0.311 175.951 176.300 -0.063 0.000 1.102 2 D CA 0.034 54.047 54.000 0.022 0.000 0.901 2 D CB 1.518 42.348 40.800 0.051 0.000 1.026 2 D HN 0.282 nan 8.370 nan 0.000 0.515 3 V N 3.808 123.591 119.914 -0.217 0.000 2.470 3 V HA 0.151 4.320 4.120 0.081 0.000 0.276 3 V C -1.686 174.262 176.094 -0.244 0.000 1.040 3 V CA -1.187 60.816 62.300 -0.495 0.000 1.008 3 V CB 0.279 31.797 31.823 -0.508 0.000 0.990 3 V HN 0.291 nan 8.190 nan 0.000 0.477 4 P HA 0.208 nan 4.420 nan 0.000 0.267 4 P C -0.065 177.202 177.300 -0.054 0.000 1.200 4 P CA -0.048 63.020 63.100 -0.053 0.000 0.772 4 P CB 0.430 32.140 31.700 0.016 0.000 0.855 5 A N 2.448 125.253 122.820 -0.026 0.000 2.540 5 A HA 0.403 4.772 4.320 0.081 0.000 0.239 5 A C 1.592 179.170 177.584 -0.010 0.000 1.061 5 A CA 0.730 52.755 52.037 -0.020 0.000 0.758 5 A CB -1.171 17.825 19.000 -0.008 0.000 0.991 5 A HN 0.928 nan 8.150 nan 0.000 0.502 6 G N 0.298 109.091 108.800 -0.010 0.000 2.225 6 G HA2 -0.108 3.900 3.960 0.081 0.000 0.254 6 G HA3 -0.108 3.900 3.960 0.081 0.000 0.254 6 G C 0.677 175.583 174.900 0.010 0.000 0.988 6 G CA 0.704 45.805 45.100 0.003 0.000 0.625 6 G HN 2.386 nan 8.290 nan 0.000 0.527 7 V N 0.362 120.276 119.914 0.000 0.000 2.583 7 V HA 0.660 4.829 4.120 0.081 0.000 0.287 7 V C 0.236 176.341 176.094 0.017 0.000 1.051 7 V CA -0.391 61.926 62.300 0.029 0.000 1.010 7 V CB 1.354 33.214 31.823 0.062 0.000 0.988 7 V HN 0.390 nan 8.190 nan 0.000 0.478 8 Q N 5.378 125.205 119.800 0.046 0.000 2.274 8 Q HA 0.504 4.893 4.340 0.081 0.000 0.256 8 Q C -0.778 175.259 176.000 0.061 0.000 0.927 8 Q CA -0.447 55.377 55.803 0.036 0.000 0.939 8 Q CB 2.029 30.787 28.738 0.032 0.000 1.201 8 Q HN 0.763 nan 8.270 nan 0.000 0.426 9 L N 1.642 122.890 121.223 0.042 0.000 2.395 9 L HA 0.405 4.794 4.340 0.081 0.000 0.269 9 L C 0.489 177.388 176.870 0.048 0.000 1.133 9 L CA -0.566 54.318 54.840 0.073 0.000 0.812 9 L CB 0.772 42.861 42.059 0.049 0.000 1.125 9 L HN 0.660 nan 8.230 nan 0.000 0.452 10 A N 1.370 124.225 122.820 0.059 0.000 2.366 10 A HA 0.079 4.447 4.320 0.081 0.000 0.249 10 A C 0.659 178.230 177.584 -0.022 0.000 1.084 10 A CA -0.370 51.656 52.037 -0.019 0.000 0.794 10 A CB 0.212 19.181 19.000 -0.052 0.000 1.034 10 A HN 0.842 nan 8.150 nan 0.000 0.491 11 D N 0.008 120.373 120.400 -0.057 0.000 2.117 11 D HA -0.057 4.632 4.640 0.081 0.000 0.197 11 D C 0.676 176.959 176.300 -0.029 0.000 0.987 11 D CA 1.515 55.491 54.000 -0.041 0.000 0.829 11 D CB 0.062 40.828 40.800 -0.056 0.000 0.961 11 D HN 0.574 nan 8.370 nan 0.000 0.460 12 K N 1.379 121.751 120.400 -0.045 0.000 2.267 12 K HA 0.087 4.456 4.320 0.081 0.000 0.282 12 K C -0.488 176.113 176.600 0.001 0.000 1.078 12 K CA -0.256 56.014 56.287 -0.028 0.000 0.903 12 K CB 0.553 33.021 32.500 -0.053 0.000 1.111 12 K HN -0.234 nan 8.250 nan 0.000 0.475 13 Q N 3.470 123.286 119.800 0.027 0.000 2.771 13 Q HA 0.125 4.513 4.340 0.081 0.000 0.239 13 Q C -0.762 175.270 176.000 0.054 0.000 1.231 13 Q CA -0.163 55.675 55.803 0.059 0.000 1.056 13 Q CB 1.119 29.904 28.738 0.077 0.000 1.284 13 Q HN 0.771 nan 8.270 nan 0.000 0.558 14 T N -1.442 113.135 114.554 0.038 0.000 2.907 14 T HA 0.770 5.169 4.350 0.081 0.000 0.292 14 T C -0.710 173.995 174.700 0.009 0.000 1.043 14 T CA -0.882 61.227 62.100 0.014 0.000 1.003 14 T CB 1.894 70.761 68.868 -0.001 0.000 1.084 14 T HN 0.235 nan 8.240 nan 0.000 0.483 15 L N 1.776 122.973 121.223 -0.044 0.000 2.422 15 L HA 0.827 5.215 4.340 0.081 0.000 0.264 15 L C -1.564 175.223 176.870 -0.138 0.000 0.984 15 L CA -0.715 54.081 54.840 -0.074 0.000 0.819 15 L CB 2.365 44.352 42.059 -0.121 0.000 1.330 15 L HN 0.722 nan 8.230 nan 0.000 0.410 16 V N 4.858 124.699 119.914 -0.120 0.000 2.444 16 V HA 0.624 4.793 4.120 0.081 0.000 0.294 16 V C -0.368 175.618 176.094 -0.179 0.000 1.022 16 V CA -0.569 61.639 62.300 -0.153 0.000 0.850 16 V CB 1.693 33.471 31.823 -0.075 0.000 0.992 16 V HN 0.711 nan 8.190 nan 0.000 0.426 17 R N 2.855 123.181 120.500 -0.290 0.000 2.562 17 R HA 0.461 4.850 4.340 0.081 0.000 0.298 17 R C -0.602 175.620 176.300 -0.131 0.000 0.961 17 R CA -0.868 55.085 56.100 -0.245 0.000 0.881 17 R CB 1.916 31.953 30.300 -0.438 0.000 1.159 17 R HN 0.684 nan 8.270 nan 0.000 0.450 18 N N 0.769 119.451 118.700 -0.030 0.000 2.530 18 N HA 0.020 4.809 4.740 0.081 0.000 0.277 18 N C -0.147 175.398 175.510 0.059 0.000 1.168 18 N CA 0.033 53.087 53.050 0.007 0.000 0.979 18 N CB 0.817 39.320 38.487 0.025 0.000 1.141 18 N HN 0.514 nan 8.380 nan 0.000 0.459 19 N N 0.962 119.633 118.700 -0.049 0.000 2.305 19 N HA 0.240 5.029 4.740 0.081 0.000 0.248 19 N C 0.622 175.694 175.510 -0.730 0.000 1.290 19 N CA 0.528 53.495 53.050 -0.140 0.000 0.873 19 N CB 0.153 38.654 38.487 0.023 0.000 1.261 19 N HN 0.747 nan 8.380 nan 0.000 0.504 20 G N -0.350 107.897 108.800 -0.922 0.000 2.708 20 G HA2 -0.275 3.734 3.960 0.081 0.000 0.229 20 G HA3 -0.275 3.734 3.960 0.081 0.000 0.229 20 G C 0.231 174.782 174.900 -0.582 0.000 1.236 20 G CA 0.582 44.992 45.100 -1.150 0.000 0.749 20 G HN 0.773 nan 8.290 nan 0.000 0.515 21 S N -1.032 114.392 115.700 -0.460 0.000 2.636 21 S HA 0.495 5.014 4.470 0.081 0.000 0.266 21 S C -1.171 173.373 174.600 -0.094 0.000 1.147 21 S CA 0.653 58.721 58.200 -0.220 0.000 0.815 21 S CB 1.440 64.519 63.200 -0.201 0.000 1.119 21 S HN 1.152 nan 8.310 nan 0.000 0.470 22 E N 1.344 121.567 120.200 0.038 0.000 2.384 22 E HA 0.384 4.783 4.350 0.081 0.000 0.266 22 E C 0.157 176.860 176.600 0.172 0.000 1.012 22 E CA -0.316 56.152 56.400 0.113 0.000 0.901 22 E CB 0.752 30.541 29.700 0.148 0.000 0.967 22 E HN 0.642 nan 8.360 nan 0.000 0.435 23 V N 2.491 122.489 119.914 0.141 0.000 2.924 23 V HA 0.043 4.212 4.120 0.081 0.000 0.305 23 V C 1.084 177.305 176.094 0.211 0.000 1.073 23 V CA -0.100 62.286 62.300 0.144 0.000 1.098 23 V CB 1.120 32.924 31.823 -0.031 0.000 1.000 23 V HN 0.883 nan 8.190 nan 0.000 0.484 24 Q N 1.398 121.312 119.800 0.191 0.000 2.124 24 Q HA 0.051 4.440 4.340 0.081 0.000 0.202 24 Q C 1.037 177.118 176.000 0.135 0.000 0.977 24 Q CA 1.759 57.637 55.803 0.125 0.000 0.850 24 Q CB 0.157 28.932 28.738 0.061 0.000 0.901 24 Q HN 0.972 nan 8.270 nan 0.000 0.429 25 S N -2.488 113.279 115.700 0.112 0.000 2.627 25 S HA 0.277 4.796 4.470 0.081 0.000 0.268 25 S C -0.951 173.622 174.600 -0.046 0.000 1.130 25 S CA -0.777 57.488 58.200 0.108 0.000 0.819 25 S CB 0.230 63.467 63.200 0.061 0.000 1.100 25 S HN 0.173 nan 8.310 nan 0.000 0.465 26 L N 1.342 122.489 121.223 -0.126 0.000 2.693 26 L HA 0.369 4.758 4.340 0.081 0.000 0.235 26 L C 0.159 176.919 176.870 -0.184 0.000 1.127 26 L CA -0.028 54.678 54.840 -0.224 0.000 0.914 26 L CB 0.215 42.050 42.059 -0.373 0.000 1.193 26 L HN 0.577 nan 8.230 nan 0.000 0.502 27 D N 1.570 121.869 120.400 -0.169 0.000 2.325 27 D HA 0.113 4.802 4.640 0.081 0.000 0.251 27 D C -1.689 174.557 176.300 -0.090 0.000 1.196 27 D CA -1.956 52.002 54.000 -0.071 0.000 0.866 27 D CB 1.932 42.803 40.800 0.118 0.000 1.101 27 D HN -0.111 nan 8.370 nan 0.000 0.476 28 P HA -0.100 nan 4.420 nan 0.000 0.221 28 P C 0.374 177.622 177.300 -0.087 0.000 1.145 28 P CA 1.230 64.177 63.100 -0.255 0.000 0.795 28 P CB 0.034 31.478 31.700 -0.426 0.000 0.775 29 H N -1.412 117.651 119.070 -0.012 0.000 2.539 29 H HA 0.187 4.792 4.556 0.081 0.000 0.269 29 H C 1.043 176.392 175.328 0.035 0.000 0.980 29 H CA 0.016 56.069 56.048 0.009 0.000 1.152 29 H CB 0.323 30.091 29.762 0.010 0.000 1.407 29 H HN -0.032 nan 8.280 nan 0.000 0.564 30 K N 1.064 121.547 120.400 0.138 0.000 2.438 30 K HA 0.205 4.574 4.320 0.081 0.000 0.205 30 K C 0.134 176.775 176.600 0.067 0.000 1.033 30 K CA 0.042 56.384 56.287 0.092 0.000 1.089 30 K CB 0.913 33.464 32.500 0.085 0.000 0.857 30 K HN 0.375 nan 8.250 nan 0.000 0.522 31 I N -3.085 117.536 120.570 0.085 0.000 2.797 31 I HA 0.382 4.601 4.170 0.081 0.000 0.307 31 I C 0.461 176.700 176.117 0.202 0.000 1.033 31 I CA -0.603 60.750 61.300 0.088 0.000 1.071 31 I CB 2.275 40.291 38.000 0.027 0.000 1.255 31 I HN -0.126 nan 8.210 nan 0.000 0.445 32 E N 2.002 122.320 120.200 0.198 0.000 2.679 32 E HA 0.280 4.678 4.350 0.081 0.000 0.221 32 E C 0.396 177.165 176.600 0.282 0.000 0.928 32 E CA -0.181 56.430 56.400 0.351 0.000 1.296 32 E CB 1.143 30.956 29.700 0.190 0.000 1.235 32 E HN 0.982 nan 8.360 nan 0.000 0.622 33 G N 0.142 109.090 108.800 0.247 0.000 2.601 33 G HA2 0.342 4.351 3.960 0.081 0.000 0.317 33 G HA3 0.342 4.351 3.960 0.081 0.000 0.317 33 G C 0.838 175.865 174.900 0.212 0.000 1.246 33 G CA -0.438 44.884 45.100 0.371 0.000 1.012 33 G HN -0.022 nan 8.290 nan 0.000 0.494 34 V N 1.149 121.175 119.914 0.187 0.000 2.307 34 V HA -0.070 4.098 4.120 0.081 0.000 0.245 34 V C -0.121 175.993 176.094 0.033 0.000 1.045 34 V CA 2.075 64.410 62.300 0.058 0.000 1.024 34 V CB -0.823 31.035 31.823 0.058 0.000 0.651 34 V HN 0.510 nan 8.190 nan 0.000 0.449 35 P HA -0.139 nan 4.420 nan 0.000 0.215 35 P C 1.448 178.687 177.300 -0.102 0.000 1.153 35 P CA 1.329 64.365 63.100 -0.107 0.000 0.853 35 P CB 0.034 31.566 31.700 -0.281 0.000 0.788 36 E N -0.798 119.408 120.200 0.010 0.000 2.077 36 E HA -0.103 4.295 4.350 0.081 0.000 0.193 36 E C 2.151 178.666 176.600 -0.141 0.000 0.989 36 E CA 1.401 57.770 56.400 -0.051 0.000 0.800 36 E CB -1.032 28.693 29.700 0.042 0.000 0.746 36 E HN 0.137 nan 8.360 nan 0.000 0.452 37 S N 0.772 116.397 115.700 -0.125 0.000 2.383 37 S HA -0.089 4.429 4.470 0.081 0.000 0.227 37 S C 1.584 176.049 174.600 -0.224 0.000 1.026 37 S CA 0.734 58.817 58.200 -0.196 0.000 0.981 37 S CB -0.269 62.805 63.200 -0.209 0.000 0.818 37 S HN 0.246 nan 8.310 nan 0.000 0.472 38 N N 1.539 120.113 118.700 -0.211 0.000 2.069 38 N HA -0.085 4.704 4.740 0.081 0.000 0.191 38 N C 1.708 176.954 175.510 -0.440 0.000 1.031 38 N CA 1.178 54.078 53.050 -0.251 0.000 0.852 38 N CB -0.718 37.670 38.487 -0.164 0.000 1.018 38 N HN 0.239 nan 8.380 nan 0.000 0.423 39 V N 0.148 119.706 119.914 -0.592 0.000 2.453 39 V HA -0.099 4.070 4.120 0.081 0.000 0.247 39 V C 2.449 178.341 176.094 -0.337 0.000 1.048 39 V CA 1.378 63.269 62.300 -0.682 0.000 1.049 39 V CB -0.692 30.723 31.823 -0.681 0.000 0.672 39 V HN 0.289 nan 8.190 nan 0.000 0.457 40 S N -0.247 115.319 115.700 -0.222 0.000 2.370 40 S HA -0.237 4.282 4.470 0.081 0.000 0.226 40 S C 2.189 176.769 174.600 -0.034 0.000 1.033 40 S CA 1.666 59.837 58.200 -0.048 0.000 1.011 40 S CB -0.265 62.893 63.200 -0.070 0.000 0.852 40 S HN 0.542 nan 8.310 nan 0.000 0.457 41 R N 0.436 120.845 120.500 -0.152 0.000 2.120 41 R HA -0.054 4.335 4.340 0.081 0.000 0.234 41 R C 1.512 177.792 176.300 -0.033 0.000 1.123 41 R CA 1.502 57.504 56.100 -0.164 0.000 0.975 41 R CB -0.306 29.656 30.300 -0.564 0.000 0.866 41 R HN 0.418 nan 8.270 nan 0.000 0.446 42 D N 0.099 120.465 120.400 -0.057 0.000 2.277 42 D HA -0.026 4.663 4.640 0.081 0.000 0.208 42 D C 1.764 178.068 176.300 0.006 0.000 0.962 42 D CA 0.827 54.866 54.000 0.066 0.000 0.865 42 D CB 0.259 41.067 40.800 0.014 0.000 0.939 42 D HN 0.219 nan 8.370 nan 0.000 0.510 43 L N -1.411 119.736 121.223 -0.127 0.000 2.286 43 L HA 0.163 4.552 4.340 0.081 0.000 0.203 43 L C 0.144 176.670 176.870 -0.572 0.000 1.068 43 L CA 0.369 54.977 54.840 -0.386 0.000 0.811 43 L CB 0.223 41.931 42.059 -0.586 0.000 0.989 43 L HN -0.164 nan 8.230 nan 0.000 0.467 44 F N -0.039 119.931 119.950 0.034 0.000 2.482 44 F HA 0.384 4.960 4.527 0.081 0.000 0.331 44 F C 0.067 175.904 175.800 0.060 0.000 1.115 44 F CA -0.659 57.373 58.000 0.053 0.000 0.955 44 F CB 1.715 40.758 39.000 0.071 0.000 1.136 44 F HN -0.171 nan 8.300 nan 0.000 0.452 45 E N 2.129 122.462 120.200 0.220 0.000 2.165 45 E HA 0.581 4.980 4.350 0.081 0.000 0.266 45 E C -0.149 176.620 176.600 0.281 0.000 0.889 45 E CA -0.551 55.997 56.400 0.246 0.000 0.756 45 E CB 1.464 31.330 29.700 0.277 0.000 1.131 45 E HN 0.811 nan 8.360 nan 0.000 0.411 46 G N 2.946 111.927 108.800 0.303 0.000 2.509 46 G HA2 0.142 4.151 3.960 0.081 0.000 0.269 46 G HA3 0.142 4.151 3.960 0.081 0.000 0.269 46 G C 0.889 175.946 174.900 0.260 0.000 1.416 46 G CA -0.504 44.837 45.100 0.402 0.000 1.052 46 G HN 0.602 nan 8.290 nan 0.000 0.542 47 L N -1.314 119.926 121.223 0.029 0.000 2.012 47 L HA 0.004 4.393 4.340 0.081 0.000 0.210 47 L C 0.637 177.441 176.870 -0.110 0.000 1.073 47 L CA 0.840 55.511 54.840 -0.282 0.000 0.748 47 L CB -0.520 41.135 42.059 -0.673 0.000 0.891 47 L HN 0.115 nan 8.230 nan 0.000 0.431 48 L N -1.346 119.828 121.223 -0.081 0.000 2.303 48 L HA 0.559 4.948 4.340 0.081 0.000 0.266 48 L C -0.273 176.666 176.870 0.115 0.000 1.011 48 L CA -0.478 54.358 54.840 -0.006 0.000 0.818 48 L CB 1.943 43.939 42.059 -0.105 0.000 1.326 48 L HN -0.022 nan 8.230 nan 0.000 0.435 49 I N -3.282 117.381 120.570 0.154 0.000 3.174 49 I HA 0.673 4.892 4.170 0.081 0.000 0.313 49 I C -0.568 175.646 176.117 0.162 0.000 1.155 49 I CA -0.739 60.654 61.300 0.155 0.000 0.977 49 I CB 2.254 40.229 38.000 -0.043 0.000 1.248 49 I HN 0.331 nan 8.210 nan 0.000 0.453 50 S N 1.907 117.747 115.700 0.234 0.000 2.562 50 S HA 0.243 4.761 4.470 0.081 0.000 0.275 50 S C -0.498 174.181 174.600 0.132 0.000 1.281 50 S CA -0.623 57.718 58.200 0.236 0.000 1.045 50 S CB 0.752 64.140 63.200 0.314 0.000 0.962 50 S HN 0.790 nan 8.310 nan 0.000 0.503 51 D N 0.887 121.380 120.400 0.156 0.000 2.398 51 D HA 0.038 4.726 4.640 0.081 0.000 0.264 51 D C 1.640 178.015 176.300 0.125 0.000 1.263 51 D CA -0.622 53.455 54.000 0.129 0.000 1.037 51 D CB -0.316 40.604 40.800 0.200 0.000 1.101 51 D HN 0.265 nan 8.370 nan 0.000 0.551 52 V N -2.860 117.125 119.914 0.119 0.000 2.867 52 V HA -0.122 4.047 4.120 0.081 0.000 0.260 52 V C 1.379 177.497 176.094 0.040 0.000 1.099 52 V CA 1.560 63.922 62.300 0.105 0.000 1.122 52 V CB -1.214 30.670 31.823 0.101 0.000 0.708 52 V HN 0.536 nan 8.190 nan 0.000 0.490 53 E N 0.368 120.569 120.200 0.001 0.000 2.481 53 E HA 0.402 4.801 4.350 0.081 0.000 0.198 53 E C 1.618 178.065 176.600 -0.255 0.000 1.027 53 E CA 0.476 56.800 56.400 -0.127 0.000 0.900 53 E CB 0.730 30.362 29.700 -0.114 0.000 0.993 53 E HN 0.747 nan 8.360 nan 0.000 0.482 54 G N 1.600 110.323 108.800 -0.129 0.000 2.195 54 G HA2 -0.201 3.808 3.960 0.081 0.000 0.224 54 G HA3 -0.201 3.808 3.960 0.081 0.000 0.224 54 G C 0.088 174.958 174.900 -0.050 0.000 0.990 54 G CA -0.364 44.688 45.100 -0.079 0.000 0.639 54 G HN 0.331 nan 8.290 nan 0.000 0.514 55 H N 1.511 120.671 119.070 0.151 0.000 2.732 55 H HA 0.320 4.900 4.556 0.040 0.000 0.351 55 H C -2.327 173.130 175.328 0.216 0.000 1.090 55 H CA -1.268 54.889 56.048 0.181 0.000 1.431 55 H CB 0.498 30.365 29.762 0.176 0.000 1.447 55 H HN 0.127 nan 8.280 nan 0.000 0.582 56 P HA -0.025 nan 4.420 nan 0.000 0.264 56 P C -0.398 177.149 177.300 0.413 0.000 1.193 56 P CA 0.447 63.764 63.100 0.360 0.000 0.763 56 P CB 0.667 32.634 31.700 0.445 0.000 0.810 57 S N 2.743 118.660 115.700 0.362 0.000 2.638 57 S HA 0.677 5.196 4.470 0.081 0.000 0.274 57 S C -3.163 171.686 174.600 0.416 0.000 1.157 57 S CA -2.272 56.170 58.200 0.403 0.000 0.826 57 S CB 0.961 64.335 63.200 0.291 0.000 1.139 57 S HN 0.037 nan 8.310 nan 0.000 0.474 58 P HA 0.306 nan 4.420 nan 0.000 0.264 58 P C 0.282 177.778 177.300 0.326 0.000 1.193 58 P CA 0.401 63.772 63.100 0.452 0.000 0.763 58 P CB 0.447 32.346 31.700 0.331 0.000 0.810 59 G N 1.378 110.332 108.800 0.257 0.000 3.306 59 G HA2 0.121 4.130 3.960 0.081 0.000 0.202 59 G HA3 0.121 4.130 3.960 0.081 0.000 0.202 59 G C 0.994 175.999 174.900 0.175 0.000 1.673 59 G CA -0.273 45.000 45.100 0.288 0.000 0.776 59 G HN 0.257 nan 8.290 nan 0.000 0.740 60 V N 1.899 121.893 119.914 0.132 0.000 2.515 60 V HA 0.153 4.321 4.120 0.081 0.000 0.250 60 V C 1.839 177.884 176.094 -0.082 0.000 1.058 60 V CA 1.371 63.667 62.300 -0.006 0.000 1.064 60 V CB -0.844 31.051 31.823 0.120 0.000 0.675 60 V HN 0.612 nan 8.190 nan 0.000 0.461 61 A N 0.963 123.785 122.820 0.004 0.000 2.354 61 A HA 0.290 4.659 4.320 0.081 0.000 0.281 61 A C 1.245 178.985 177.584 0.260 0.000 1.174 61 A CA -0.056 52.082 52.037 0.169 0.000 0.828 61 A CB 0.103 19.307 19.000 0.340 0.000 1.099 61 A HN 0.647 nan 8.150 nan 0.000 0.516 62 E N 2.820 123.112 120.200 0.154 0.000 2.340 62 E HA 0.053 4.452 4.350 0.081 0.000 0.194 62 E C 0.388 177.047 176.600 0.098 0.000 0.996 62 E CA 0.480 56.920 56.400 0.066 0.000 0.869 62 E CB 0.065 29.706 29.700 -0.098 0.000 0.835 62 E HN 0.616 nan 8.360 nan 0.000 0.493 63 K N 0.004 120.528 120.400 0.207 0.000 2.568 63 K HA 0.355 4.724 4.320 0.081 0.000 0.273 63 K C -2.036 174.733 176.600 0.281 0.000 0.951 63 K CA -0.857 55.407 56.287 -0.040 0.000 0.854 63 K CB 1.227 33.653 32.500 -0.123 0.000 1.424 63 K HN 0.160 nan 8.250 nan 0.000 0.427 64 W N 0.303 121.668 121.300 0.108 0.000 3.137 64 W HA 0.685 5.389 4.660 0.073 0.000 0.324 64 W C -1.373 175.097 176.519 -0.082 0.000 1.253 64 W CA -0.626 56.688 57.345 -0.051 0.000 1.183 64 W CB 1.007 30.330 29.460 -0.228 0.000 1.424 64 W HN 0.624 nan 8.180 nan 0.000 0.566 65 E N 1.093 121.298 120.200 0.010 0.000 2.416 65 E HA 0.504 4.903 4.350 0.081 0.000 0.273 65 E C -1.269 175.161 176.600 -0.284 0.000 0.935 65 E CA -1.178 55.155 56.400 -0.113 0.000 0.784 65 E CB 2.041 31.672 29.700 -0.114 0.000 1.301 65 E HN 0.524 nan 8.360 nan 0.000 0.454 66 N N -0.715 117.692 118.700 -0.488 0.000 2.284 66 N HA 0.553 5.342 4.740 0.081 0.000 0.289 66 N C -1.487 173.652 175.510 -0.619 0.000 1.179 66 N CA -1.087 51.443 53.050 -0.866 0.000 0.774 66 N CB 1.600 39.007 38.487 -1.800 0.000 1.548 66 N HN 0.159 nan 8.380 nan 0.000 0.473 67 K N 1.000 121.066 120.400 -0.558 0.000 2.367 67 K HA 0.325 4.694 4.320 0.081 0.000 0.263 67 K C -0.930 175.414 176.600 -0.428 0.000 1.000 67 K CA -0.222 55.821 56.287 -0.406 0.000 0.891 67 K CB 0.055 32.397 32.500 -0.263 0.000 1.117 67 K HN 0.652 nan 8.250 nan 0.000 0.443 68 D N 4.356 124.456 120.400 -0.499 0.000 2.983 68 D HA -0.261 4.428 4.640 0.081 0.000 0.225 68 D C -0.463 175.639 176.300 -0.330 0.000 1.174 68 D CA 1.394 55.136 54.000 -0.430 0.000 0.831 68 D CB -1.559 39.126 40.800 -0.192 0.000 1.104 68 D HN 0.817 nan 8.370 nan 0.000 0.421 69 F N -2.407 117.419 119.950 -0.205 0.000 3.069 69 F HA -0.352 4.223 4.527 0.081 0.000 0.285 69 F C 1.643 177.526 175.800 0.138 0.000 0.827 69 F CA 1.508 59.485 58.000 -0.038 0.000 1.108 69 F CB -1.646 37.465 39.000 0.185 0.000 1.252 69 F HN 0.183 nan 8.300 nan 0.000 0.483 70 K N -0.831 119.582 120.400 0.022 0.000 2.403 70 K HA 0.353 4.722 4.320 0.081 0.000 0.199 70 K C 0.158 176.785 176.600 0.045 0.000 1.199 70 K CA 0.574 56.908 56.287 0.079 0.000 0.924 70 K CB 1.169 33.676 32.500 0.012 0.000 1.137 70 K HN 0.018 nan 8.250 nan 0.000 0.510 71 V N 1.874 121.709 119.914 -0.132 0.000 2.378 71 V HA 0.267 4.435 4.120 0.081 0.000 0.288 71 V C -1.506 174.461 176.094 -0.212 0.000 1.016 71 V CA -0.718 61.530 62.300 -0.088 0.000 0.840 71 V CB 0.698 32.457 31.823 -0.107 0.000 0.994 71 V HN 0.174 nan 8.190 nan 0.000 0.431 72 W N 2.570 123.822 121.300 -0.080 0.000 2.376 72 W HA 0.633 5.341 4.660 0.080 0.000 0.312 72 W C 0.266 176.620 176.519 -0.275 0.000 1.060 72 W CA -0.389 56.887 57.345 -0.115 0.000 1.221 72 W CB 1.873 31.432 29.460 0.166 0.000 1.281 72 W HN 0.372 nan 8.180 nan 0.000 0.456 73 T N 4.472 118.854 114.554 -0.286 0.000 2.786 73 T HA 0.475 4.874 4.350 0.081 0.000 0.283 73 T C -1.047 173.321 174.700 -0.553 0.000 0.992 73 T CA -0.508 61.394 62.100 -0.330 0.000 0.954 73 T CB 0.253 68.966 68.868 -0.260 0.000 0.934 73 T HN -0.022 nan 8.240 nan 0.000 0.440 74 F N 2.972 122.866 119.950 -0.094 0.000 2.411 74 F HA 0.325 4.900 4.527 0.079 0.000 0.352 74 F C 0.946 176.640 175.800 -0.176 0.000 1.123 74 F CA -1.019 56.975 58.000 -0.010 0.000 1.044 74 F CB 0.991 40.037 39.000 0.077 0.000 1.135 74 F HN 0.497 nan 8.300 nan 0.000 0.461 75 H N 5.512 124.744 119.070 0.270 0.000 2.761 75 H HA 0.313 4.917 4.556 0.080 0.000 0.284 75 H C -0.156 175.248 175.328 0.127 0.000 1.105 75 H CA -0.331 55.809 56.048 0.154 0.000 1.352 75 H CB 0.750 30.558 29.762 0.076 0.000 1.423 75 H HN 0.465 nan 8.280 nan 0.000 0.464 76 L N 3.962 125.291 121.223 0.175 0.000 2.349 76 L HA 0.272 4.661 4.340 0.081 0.000 0.275 76 L C 1.189 178.046 176.870 -0.022 0.000 1.115 76 L CA -0.733 54.150 54.840 0.072 0.000 0.820 76 L CB 0.743 42.858 42.059 0.093 0.000 1.135 76 L HN 0.483 nan 8.230 nan 0.000 0.445 77 R N 1.982 122.391 120.500 -0.152 0.000 2.570 77 R HA 0.034 4.423 4.340 0.081 0.000 0.277 77 R C 0.230 176.370 176.300 -0.266 0.000 1.039 77 R CA -0.249 55.695 56.100 -0.261 0.000 1.065 77 R CB 0.671 30.689 30.300 -0.471 0.000 0.964 77 R HN 0.664 nan 8.270 nan 0.000 0.428 78 E N 1.460 121.467 120.200 -0.323 0.000 2.204 78 E HA -0.183 4.216 4.350 0.081 0.000 0.195 78 E C 0.635 177.133 176.600 -0.169 0.000 0.990 78 E CA 1.355 57.517 56.400 -0.396 0.000 0.821 78 E CB 0.025 29.508 29.700 -0.361 0.000 0.750 78 E HN 0.757 nan 8.360 nan 0.000 0.477 79 N N 0.577 119.206 118.700 -0.119 0.000 2.268 79 N HA 0.054 4.843 4.740 0.081 0.000 0.204 79 N C -0.245 175.277 175.510 0.020 0.000 1.124 79 N CA 0.034 53.072 53.050 -0.021 0.000 0.838 79 N CB 0.128 38.620 38.487 0.009 0.000 0.994 79 N HN -0.089 nan 8.380 nan 0.000 0.489 80 A N 0.784 123.580 122.820 -0.041 0.000 2.488 80 A HA 0.378 4.746 4.320 0.081 0.000 0.249 80 A C 0.053 177.675 177.584 0.064 0.000 1.083 80 A CA 0.036 52.085 52.037 0.020 0.000 0.768 80 A CB 0.212 19.188 19.000 -0.041 0.000 1.017 80 A HN 0.372 nan 8.150 nan 0.000 0.496 81 K N 1.319 121.771 120.400 0.087 0.000 2.508 81 K HA 0.379 4.747 4.320 0.081 0.000 0.260 81 K C -1.307 175.322 176.600 0.049 0.000 0.949 81 K CA -0.533 55.811 56.287 0.094 0.000 0.834 81 K CB 1.602 34.193 32.500 0.152 0.000 1.365 81 K HN 0.758 nan 8.250 nan 0.000 0.437 82 W N 0.558 121.944 121.300 0.144 0.000 2.030 82 W HA 0.011 4.722 4.660 0.085 0.000 0.360 82 W C 1.723 178.304 176.519 0.103 0.000 1.370 82 W CA -0.010 57.410 57.345 0.126 0.000 1.433 82 W CB 0.528 30.054 29.460 0.109 0.000 1.204 82 W HN 0.727 nan 8.180 nan 0.000 0.649 83 S N -0.534 115.387 115.700 0.368 0.000 2.507 83 S HA -0.206 4.313 4.470 0.081 0.000 0.235 83 S C 0.899 175.608 174.600 0.181 0.000 0.988 83 S CA 1.289 59.616 58.200 0.212 0.000 0.944 83 S CB -0.481 62.814 63.200 0.159 0.000 0.762 83 S HN 0.605 nan 8.310 nan 0.000 0.526 84 D N 0.115 120.641 120.400 0.209 0.000 2.328 84 D HA 0.280 4.969 4.640 0.081 0.000 0.221 84 D C 1.375 177.761 176.300 0.144 0.000 1.072 84 D CA 0.472 54.559 54.000 0.145 0.000 0.850 84 D CB -0.514 40.354 40.800 0.113 0.000 0.922 84 D HN 0.499 nan 8.370 nan 0.000 0.516 85 G N 0.271 109.179 108.800 0.180 0.000 2.176 85 G HA2 -0.274 3.735 3.960 0.081 0.000 0.253 85 G HA3 -0.274 3.735 3.960 0.081 0.000 0.253 85 G C 0.507 175.517 174.900 0.184 0.000 0.979 85 G CA 0.451 45.647 45.100 0.159 0.000 0.641 85 G HN 0.798 nan 8.290 nan 0.000 0.530 86 T N -0.002 114.692 114.554 0.234 0.000 2.910 86 T HA 0.592 4.991 4.350 0.081 0.000 0.293 86 T C -2.251 172.665 174.700 0.360 0.000 1.015 86 T CA -1.382 60.867 62.100 0.248 0.000 1.094 86 T CB 2.075 71.055 68.868 0.188 0.000 0.968 86 T HN 0.082 nan 8.240 nan 0.000 0.521 87 P HA 0.230 nan 4.420 nan 0.000 0.268 87 P C -0.587 176.922 177.300 0.349 0.000 1.205 87 P CA -0.525 62.737 63.100 0.269 0.000 0.771 87 P CB 0.419 32.260 31.700 0.235 0.000 0.858 88 V N 3.435 123.455 119.914 0.177 0.000 2.461 88 V HA 0.333 4.502 4.120 0.081 0.000 0.275 88 V C 0.902 177.126 176.094 0.217 0.000 1.047 88 V CA 0.214 62.575 62.300 0.101 0.000 0.955 88 V CB 0.516 32.238 31.823 -0.168 0.000 0.988 88 V HN 0.735 nan 8.190 nan 0.000 0.471 89 T N 1.864 116.574 114.554 0.260 0.000 2.883 89 T HA 0.681 5.080 4.350 0.081 0.000 0.284 89 T C 1.089 175.888 174.700 0.164 0.000 1.041 89 T CA -0.068 62.145 62.100 0.189 0.000 1.007 89 T CB 1.928 70.906 68.868 0.183 0.000 1.220 89 T HN 0.569 nan 8.240 nan 0.000 0.552 90 A N -0.197 122.617 122.820 -0.010 0.000 2.015 90 A HA -0.052 4.317 4.320 0.081 0.000 0.219 90 A C 2.098 179.659 177.584 -0.039 0.000 1.163 90 A CA 1.126 53.145 52.037 -0.031 0.000 0.646 90 A CB -1.274 17.706 19.000 -0.033 0.000 0.806 90 A HN 0.936 nan 8.150 nan 0.000 0.448 91 H N 0.403 119.563 119.070 0.151 0.000 2.421 91 H HA -0.103 4.502 4.556 0.082 0.000 0.298 91 H C 1.300 176.709 175.328 0.135 0.000 1.087 91 H CA 1.437 57.567 56.048 0.137 0.000 1.330 91 H CB -0.272 29.544 29.762 0.090 0.000 1.388 91 H HN 0.486 nan 8.280 nan 0.000 0.526 92 D N 0.570 121.098 120.400 0.214 0.000 2.123 92 D HA -0.128 4.561 4.640 0.081 0.000 0.196 92 D C 2.070 178.351 176.300 -0.033 0.000 0.992 92 D CA 0.864 54.947 54.000 0.139 0.000 0.833 92 D CB -0.447 40.462 40.800 0.181 0.000 0.954 92 D HN 0.269 nan 8.370 nan 0.000 0.455 93 F N 0.866 120.692 119.950 -0.206 0.000 2.146 93 F HA -0.145 4.430 4.527 0.080 0.000 0.298 93 F C 2.575 178.152 175.800 -0.372 0.000 1.096 93 F CA 0.427 58.059 58.000 -0.613 0.000 1.275 93 F CB -0.713 37.227 39.000 -1.768 0.000 1.008 93 F HN -0.185 nan 8.300 nan 0.000 0.480 94 V N -0.521 119.467 119.914 0.123 0.000 2.255 94 V HA -0.352 3.816 4.120 0.081 0.000 0.247 94 V C 2.101 178.349 176.094 0.258 0.000 1.051 94 V CA 2.195 64.680 62.300 0.307 0.000 1.018 94 V CB -0.944 31.073 31.823 0.323 0.000 0.641 94 V HN 0.422 nan 8.190 nan 0.000 0.445 95 Y N 1.365 121.743 120.300 0.131 0.000 2.128 95 Y HA -0.261 4.338 4.550 0.081 0.000 0.284 95 Y C 2.735 178.718 175.900 0.139 0.000 1.154 95 Y CA 1.960 60.123 58.100 0.105 0.000 1.149 95 Y CB -0.528 37.963 38.460 0.053 0.000 0.976 95 Y HN 0.210 nan 8.280 nan 0.000 0.505 96 S N -0.304 115.458 115.700 0.102 0.000 2.359 96 S HA -0.218 4.301 4.470 0.081 0.000 0.224 96 S C 1.550 176.297 174.600 0.245 0.000 1.035 96 S CA 1.592 59.877 58.200 0.140 0.000 1.018 96 S CB -0.730 62.610 63.200 0.233 0.000 0.876 96 S HN 0.662 nan 8.310 nan 0.000 0.448 97 W N 2.134 123.461 121.300 0.046 0.000 2.402 97 W HA 0.040 4.748 4.660 0.079 0.000 0.286 97 W C 2.451 178.941 176.519 -0.050 0.000 1.221 97 W CA 0.003 57.380 57.345 0.054 0.000 1.257 97 W CB -1.143 28.454 29.460 0.227 0.000 1.120 97 W HN 0.423 nan 8.180 nan 0.000 0.551 98 Q N -0.170 119.725 119.800 0.157 0.000 2.084 98 Q HA -0.192 4.197 4.340 0.081 0.000 0.202 98 Q C 2.302 178.226 176.000 -0.126 0.000 0.978 98 Q CA 1.712 57.530 55.803 0.026 0.000 0.844 98 Q CB -0.419 28.333 28.738 0.024 0.000 0.898 98 Q HN 0.261 nan 8.270 nan 0.000 0.426 99 R N 0.564 120.889 120.500 -0.292 0.000 2.096 99 R HA -0.164 4.225 4.340 0.081 0.000 0.235 99 R C 2.194 178.234 176.300 -0.434 0.000 1.127 99 R CA 0.942 56.823 56.100 -0.365 0.000 0.968 99 R CB -0.220 29.805 30.300 -0.458 0.000 0.861 99 R HN 0.228 nan 8.270 nan 0.000 0.440 100 L N 0.619 121.451 121.223 -0.652 0.000 2.046 100 L HA -0.051 4.338 4.340 0.081 0.000 0.208 100 L C 2.198 178.912 176.870 -0.260 0.000 1.077 100 L CA 2.175 56.647 54.840 -0.614 0.000 0.747 100 L CB -0.541 41.200 42.059 -0.531 0.000 0.896 100 L HN 0.252 nan 8.230 nan 0.000 0.432 101 A N -1.348 121.378 122.820 -0.156 0.000 1.968 101 A HA -0.129 4.240 4.320 0.081 0.000 0.217 101 A C 1.014 178.555 177.584 -0.072 0.000 1.169 101 A CA 0.735 52.721 52.037 -0.084 0.000 0.638 101 A CB -0.775 18.210 19.000 -0.024 0.000 0.812 101 A HN 0.512 nan 8.150 nan 0.000 0.446 102 D N 0.242 120.592 120.400 -0.083 0.000 2.434 102 D HA 0.094 4.782 4.640 0.081 0.000 0.252 102 D C -1.444 174.826 176.300 -0.051 0.000 1.185 102 D CA -1.853 52.113 54.000 -0.057 0.000 0.886 102 D CB 1.012 41.775 40.800 -0.061 0.000 1.148 102 D HN 0.090 nan 8.370 nan 0.000 0.483 103 P HA -0.129 nan 4.420 nan 0.000 0.219 103 P C 0.768 178.055 177.300 -0.021 0.000 1.146 103 P CA 0.712 63.795 63.100 -0.028 0.000 0.808 103 P CB 0.311 32.001 31.700 -0.018 0.000 0.779 104 N N -0.754 117.937 118.700 -0.015 0.000 2.309 104 N HA -0.064 4.725 4.740 0.081 0.000 0.182 104 N C 1.466 176.975 175.510 -0.001 0.000 1.018 104 N CA 1.263 54.310 53.050 -0.004 0.000 0.876 104 N CB -0.926 37.563 38.487 0.003 0.000 0.972 104 N HN 0.191 nan 8.380 nan 0.000 0.434 105 T N 0.595 115.141 114.554 -0.014 0.000 2.995 105 T HA 0.116 4.515 4.350 0.081 0.000 0.269 105 T C 1.046 175.744 174.700 -0.003 0.000 1.091 105 T CA 0.768 62.867 62.100 -0.001 0.000 1.128 105 T CB -0.191 68.657 68.868 -0.033 0.000 0.891 105 T HN 0.376 nan 8.240 nan 0.000 0.492 106 A N 1.708 124.513 122.820 -0.024 0.000 2.745 106 A HA -0.157 4.212 4.320 0.081 0.000 0.296 106 A C 0.932 178.486 177.584 -0.051 0.000 1.500 106 A CA 0.662 52.676 52.037 -0.039 0.000 0.766 106 A CB -2.252 16.729 19.000 -0.032 0.000 1.030 106 A HN 0.504 nan 8.150 nan 0.000 0.489 107 S N 0.268 115.943 115.700 -0.042 0.000 2.549 107 S HA 0.450 4.969 4.470 0.081 0.000 0.279 107 S C -0.115 174.447 174.600 -0.062 0.000 1.321 107 S CA -0.618 57.570 58.200 -0.019 0.000 1.054 107 S CB 0.640 63.839 63.200 -0.001 0.000 0.899 107 S HN 0.444 nan 8.310 nan 0.000 0.497 108 P HA -0.042 nan 4.420 nan 0.000 0.226 108 P C 0.064 177.276 177.300 -0.146 0.000 1.153 108 P CA 1.095 64.083 63.100 -0.186 0.000 0.777 108 P CB -0.060 31.520 31.700 -0.200 0.000 0.794 109 Y N -0.835 119.453 120.300 -0.019 0.000 2.658 109 Y HA 0.434 5.034 4.550 0.083 0.000 0.276 109 Y C 2.239 178.086 175.900 -0.088 0.000 1.167 109 Y CA -0.248 57.839 58.100 -0.021 0.000 1.230 109 Y CB -0.200 38.259 38.460 -0.002 0.000 1.144 109 Y HN -0.071 nan 8.280 nan 0.000 0.529 110 A N -0.571 122.245 122.820 -0.005 0.000 1.940 110 A HA -0.204 4.165 4.320 0.081 0.000 0.219 110 A C 2.262 179.771 177.584 -0.124 0.000 1.176 110 A CA 2.245 54.241 52.037 -0.068 0.000 0.631 110 A CB -0.626 18.328 19.000 -0.077 0.000 0.814 110 A HN 0.346 nan 8.150 nan 0.000 0.446 111 S N -1.802 113.782 115.700 -0.192 0.000 2.547 111 S HA -0.082 4.437 4.470 0.081 0.000 0.235 111 S C 1.499 175.601 174.600 -0.830 0.000 0.980 111 S CA 0.707 58.673 58.200 -0.390 0.000 0.941 111 S CB -0.510 62.506 63.200 -0.307 0.000 0.763 111 S HN 0.637 nan 8.310 nan 0.000 0.532 112 Y N 2.280 122.178 120.300 -0.670 0.000 2.256 112 Y HA -0.084 4.514 4.550 0.080 0.000 0.288 112 Y C 1.667 177.314 175.900 -0.421 0.000 1.155 112 Y CA 1.062 58.806 58.100 -0.593 0.000 1.203 112 Y CB -0.334 38.003 38.460 -0.205 0.000 0.980 112 Y HN 0.227 nan 8.280 nan 0.000 0.530 113 L N -0.671 120.395 121.223 -0.261 0.000 2.395 113 L HA -0.173 4.216 4.340 0.081 0.000 0.218 113 L C 2.121 178.862 176.870 -0.216 0.000 1.130 113 L CA 0.866 55.580 54.840 -0.211 0.000 0.826 113 L CB -0.412 41.572 42.059 -0.125 0.000 0.941 113 L HN 0.254 nan 8.230 nan 0.000 0.451 114 Q N -1.040 118.595 119.800 -0.275 0.000 2.137 114 Q HA -0.130 4.259 4.340 0.081 0.000 0.198 114 Q C 2.025 177.811 176.000 -0.356 0.000 0.960 114 Q CA 1.090 56.739 55.803 -0.257 0.000 0.847 114 Q CB -0.052 28.608 28.738 -0.131 0.000 0.915 114 Q HN 0.425 nan 8.270 nan 0.000 0.448 115 Y N 0.058 120.176 120.300 -0.304 0.000 2.274 115 Y HA -0.049 4.550 4.550 0.080 0.000 0.290 115 Y C 2.371 178.102 175.900 -0.282 0.000 1.145 115 Y CA 1.066 59.010 58.100 -0.261 0.000 1.203 115 Y CB -1.035 37.337 38.460 -0.147 0.000 0.984 115 Y HN 0.135 nan 8.280 nan 0.000 0.533 116 G N -2.402 106.309 108.800 -0.149 0.000 2.880 116 G HA2 -0.046 3.963 3.960 0.081 0.000 0.209 116 G HA3 -0.046 3.963 3.960 0.081 0.000 0.209 116 G C -0.300 174.619 174.900 0.032 0.000 1.157 116 G CA 0.302 45.435 45.100 0.056 0.000 0.779 116 G HN 0.639 nan 8.290 nan 0.000 0.539 117 H N -1.621 117.449 119.070 0.000 0.000 2.839 117 H HA -0.133 4.472 4.556 0.081 0.000 0.298 117 H C 0.022 175.322 175.328 -0.047 0.000 1.224 117 H CA -0.056 55.982 56.048 -0.016 0.000 1.144 117 H CB -2.070 27.679 29.762 -0.021 0.000 1.372 117 H HN 0.297 nan 8.280 nan 0.000 0.408 118 I N 0.735 121.309 120.570 0.007 0.000 2.752 118 I HA 0.155 4.374 4.170 0.081 0.000 0.287 118 I C 1.281 177.427 176.117 0.048 0.000 1.188 118 I CA 0.856 62.176 61.300 0.034 0.000 1.427 118 I CB 0.415 38.484 38.000 0.114 0.000 1.365 118 I HN 0.471 nan 8.210 nan 0.000 0.585 119 A N 5.368 128.216 122.820 0.046 0.000 2.511 119 A HA 0.204 4.572 4.320 0.081 0.000 0.242 119 A C 1.046 178.658 177.584 0.046 0.000 1.069 119 A CA -0.023 52.041 52.037 0.044 0.000 0.763 119 A CB -0.277 18.743 19.000 0.033 0.000 1.001 119 A HN 0.890 nan 8.150 nan 0.000 0.498 120 N N -0.487 118.237 118.700 0.041 0.000 2.909 120 N HA -0.218 4.571 4.740 0.081 0.000 0.242 120 N C 0.567 176.095 175.510 0.030 0.000 0.975 120 N CA 1.209 54.280 53.050 0.035 0.000 0.921 120 N CB -1.488 37.020 38.487 0.036 0.000 1.112 120 N HN 0.788 nan 8.380 nan 0.000 0.581 121 I N 1.613 122.200 120.570 0.028 0.000 2.226 121 I HA -0.179 4.040 4.170 0.081 0.000 0.245 121 I C 1.686 177.805 176.117 0.003 0.000 1.100 121 I CA 1.843 63.148 61.300 0.009 0.000 1.374 121 I CB -0.087 37.906 38.000 -0.013 0.000 1.057 121 I HN 0.047 nan 8.210 nan 0.000 0.413 122 D N 0.703 121.110 120.400 0.012 0.000 2.104 122 D HA -0.201 4.488 4.640 0.081 0.000 0.194 122 D C 1.849 178.156 176.300 0.012 0.000 0.994 122 D CA 1.574 55.582 54.000 0.013 0.000 0.830 122 D CB -0.460 40.356 40.800 0.028 0.000 0.959 122 D HN 0.384 nan 8.370 nan 0.000 0.452 123 D N 0.005 120.414 120.400 0.016 0.000 2.144 123 D HA -0.075 4.613 4.640 0.081 0.000 0.199 123 D C 2.255 178.561 176.300 0.010 0.000 0.984 123 D CA 0.384 54.392 54.000 0.014 0.000 0.834 123 D CB -0.208 40.603 40.800 0.017 0.000 0.955 123 D HN 0.274 nan 8.370 nan 0.000 0.465 124 I N 0.360 120.936 120.570 0.009 0.000 2.202 124 I HA -0.194 4.024 4.170 0.081 0.000 0.242 124 I C 2.316 178.431 176.117 -0.004 0.000 1.091 124 I CA 0.648 61.951 61.300 0.005 0.000 1.368 124 I CB -0.093 37.912 38.000 0.008 0.000 1.058 124 I HN -0.042 nan 8.210 nan 0.000 0.410 125 I N 0.917 121.481 120.570 -0.009 0.000 2.286 125 I HA -0.268 3.951 4.170 0.081 0.000 0.248 125 I C 2.505 178.617 176.117 -0.008 0.000 1.115 125 I CA 1.315 62.605 61.300 -0.016 0.000 1.392 125 I CB -0.398 37.589 38.000 -0.023 0.000 1.065 125 I HN 0.179 nan 8.210 nan 0.000 0.418 126 A N 0.266 123.085 122.820 -0.002 0.000 2.235 126 A HA 0.224 4.593 4.320 0.081 0.000 0.208 126 A C 1.889 179.474 177.584 0.002 0.000 1.172 126 A CA 0.851 52.889 52.037 0.002 0.000 0.786 126 A CB -0.732 18.271 19.000 0.006 0.000 0.804 126 A HN 0.601 nan 8.150 nan 0.000 0.479 127 G N -0.542 108.259 108.800 0.002 0.000 2.148 127 G HA2 -0.307 3.701 3.960 0.081 0.000 0.254 127 G HA3 -0.307 3.701 3.960 0.081 0.000 0.254 127 G C 0.856 175.760 174.900 0.006 0.000 0.981 127 G CA 0.826 45.928 45.100 0.003 0.000 0.670 127 G HN 0.579 nan 8.290 nan 0.000 0.528 128 K N -0.502 119.902 120.400 0.007 0.000 2.314 128 K HA 0.148 4.517 4.320 0.081 0.000 0.198 128 K C 0.962 177.568 176.600 0.011 0.000 1.045 128 K CA 0.701 56.993 56.287 0.009 0.000 0.988 128 K CB 0.294 32.800 32.500 0.010 0.000 0.783 128 K HN 0.335 nan 8.250 nan 0.000 0.484 129 K N 1.055 121.462 120.400 0.012 0.000 2.426 129 K HA 0.299 4.668 4.320 0.081 0.000 0.251 129 K C -2.769 173.840 176.600 0.015 0.000 0.941 129 K CA -2.263 54.033 56.287 0.015 0.000 0.808 129 K CB 2.159 34.670 32.500 0.019 0.000 1.265 129 K HN -0.183 nan 8.250 nan 0.000 0.432 130 P HA 0.001 nan 4.420 nan 0.000 0.272 130 P C -0.057 177.257 177.300 0.023 0.000 1.230 130 P CA -0.059 63.052 63.100 0.019 0.000 0.788 130 P CB 0.940 32.654 31.700 0.022 0.000 0.949 131 A N 1.955 124.787 122.820 0.020 0.000 2.019 131 A HA -0.133 4.236 4.320 0.081 0.000 0.219 131 A C 1.879 179.490 177.584 0.045 0.000 1.164 131 A CA 2.113 54.164 52.037 0.023 0.000 0.644 131 A CB -1.885 17.116 19.000 0.002 0.000 0.805 131 A HN 0.684 nan 8.150 nan 0.000 0.449 132 T N -2.580 112.004 114.554 0.048 0.000 3.051 132 T HA -0.075 4.324 4.350 0.081 0.000 0.269 132 T C 0.731 175.467 174.700 0.059 0.000 1.127 132 T CA 1.298 63.436 62.100 0.063 0.000 1.107 132 T CB -0.299 68.604 68.868 0.059 0.000 0.898 132 T HN 0.330 nan 8.240 nan 0.000 0.517 133 D N 0.488 120.917 120.400 0.049 0.000 2.340 133 D HA 0.225 4.914 4.640 0.081 0.000 0.220 133 D C 0.533 176.866 176.300 0.054 0.000 1.039 133 D CA -0.234 53.794 54.000 0.045 0.000 0.866 133 D CB -0.291 40.530 40.800 0.035 0.000 0.913 133 D HN 0.350 nan 8.370 nan 0.000 0.523 134 L N 0.669 121.934 121.223 0.070 0.000 2.506 134 L HA 0.217 4.606 4.340 0.081 0.000 0.281 134 L C 1.264 178.187 176.870 0.088 0.000 1.228 134 L CA 0.247 55.140 54.840 0.089 0.000 0.850 134 L CB 0.744 42.880 42.059 0.128 0.000 1.110 134 L HN 0.025 nan 8.230 nan 0.000 0.496 135 G N 5.115 113.965 108.800 0.083 0.000 3.284 135 G HA2 0.417 4.426 3.960 0.081 0.000 0.251 135 G HA3 0.417 4.426 3.960 0.081 0.000 0.251 135 G C -0.472 174.448 174.900 0.034 0.000 0.913 135 G CA 0.363 45.494 45.100 0.052 0.000 1.947 135 G HN 0.736 nan 8.290 nan 0.000 0.635 136 V N -1.923 118.009 119.914 0.030 0.000 2.823 136 V HA 0.961 5.129 4.120 0.081 0.000 0.312 136 V C -0.636 175.426 176.094 -0.053 0.000 1.072 136 V CA -1.429 60.817 62.300 -0.091 0.000 0.937 136 V CB 1.999 33.831 31.823 0.014 0.000 1.013 136 V HN 0.520 nan 8.190 nan 0.000 0.430 137 K N 2.580 122.888 120.400 -0.153 0.000 2.551 137 K HA 0.889 5.257 4.320 0.081 0.000 0.269 137 K C -1.065 175.544 176.600 0.015 0.000 0.949 137 K CA -0.559 55.724 56.287 -0.006 0.000 0.849 137 K CB 2.421 34.922 32.500 0.002 0.000 1.411 137 K HN 1.286 nan 8.250 nan 0.000 0.432 138 A N 2.968 125.845 122.820 0.094 0.000 2.252 138 A HA 0.390 4.759 4.320 0.081 0.000 0.309 138 A C 0.613 178.211 177.584 0.024 0.000 1.285 138 A CA -0.942 51.113 52.037 0.030 0.000 0.900 138 A CB -0.094 18.766 19.000 -0.232 0.000 1.157 138 A HN 0.790 nan 8.150 nan 0.000 0.536 139 L N 1.010 122.240 121.223 0.011 0.000 2.313 139 L HA 0.104 4.493 4.340 0.081 0.000 0.214 139 L C 0.482 177.374 176.870 0.037 0.000 1.119 139 L CA 0.991 55.846 54.840 0.025 0.000 0.809 139 L CB -0.405 41.663 42.059 0.016 0.000 0.933 139 L HN 0.949 nan 8.230 nan 0.000 0.449 140 D N -4.799 115.606 120.400 0.008 0.000 2.779 140 D HA 0.048 4.737 4.640 0.081 0.000 0.331 140 D C -0.043 176.185 176.300 -0.120 0.000 1.331 140 D CA -0.621 53.382 54.000 0.004 0.000 0.866 140 D CB 0.193 41.009 40.800 0.027 0.000 1.409 140 D HN -0.344 nan 8.370 nan 0.000 0.486 141 D N -1.441 118.861 120.400 -0.163 0.000 2.221 141 D HA -0.097 4.592 4.640 0.081 0.000 0.204 141 D C 0.482 176.515 176.300 -0.445 0.000 0.982 141 D CA 1.263 55.056 54.000 -0.344 0.000 0.857 141 D CB -0.070 40.464 40.800 -0.443 0.000 0.934 141 D HN 0.394 nan 8.370 nan 0.000 0.475 142 H N -1.185 117.907 119.070 0.038 0.000 2.512 142 H HA 0.313 4.918 4.556 0.082 0.000 0.276 142 H C -0.221 175.147 175.328 0.066 0.000 1.126 142 H CA 0.062 56.140 56.048 0.050 0.000 1.060 142 H CB 0.347 30.145 29.762 0.060 0.000 1.646 142 H HN -0.137 nan 8.280 nan 0.000 0.571 143 T N 1.226 115.841 114.554 0.102 0.000 2.965 143 T HA 0.228 4.627 4.350 0.081 0.000 0.306 143 T C -0.941 173.820 174.700 0.102 0.000 0.991 143 T CA -0.523 61.630 62.100 0.089 0.000 1.001 143 T CB 1.232 70.144 68.868 0.074 0.000 0.984 143 T HN 0.140 nan 8.240 nan 0.000 0.446 144 F N 2.807 122.721 119.950 -0.061 0.000 2.427 144 F HA 0.558 5.134 4.527 0.081 0.000 0.346 144 F C 0.215 176.042 175.800 0.044 0.000 1.120 144 F CA -0.630 57.330 58.000 -0.066 0.000 1.033 144 F CB 0.865 39.744 39.000 -0.201 0.000 1.126 144 F HN 0.462 nan 8.300 nan 0.000 0.462 145 E N 6.027 125.983 120.200 -0.406 0.000 2.165 145 E HA 0.468 4.867 4.350 0.081 0.000 0.266 145 E C -1.792 174.566 176.600 -0.404 0.000 0.889 145 E CA -0.720 55.510 56.400 -0.285 0.000 0.756 145 E CB 1.897 31.505 29.700 -0.154 0.000 1.131 145 E HN 0.505 nan 8.360 nan 0.000 0.411 146 V N 3.656 123.474 119.914 -0.161 0.000 2.459 146 V HA 0.355 4.524 4.120 0.081 0.000 0.295 146 V C -0.116 175.992 176.094 0.022 0.000 1.029 146 V CA -0.622 61.635 62.300 -0.072 0.000 0.874 146 V CB 1.867 33.807 31.823 0.194 0.000 0.985 146 V HN 0.702 nan 8.190 nan 0.000 0.438 147 T N 6.552 121.101 114.554 -0.009 0.000 2.770 147 T HA 0.634 5.033 4.350 0.081 0.000 0.283 147 T C -0.263 174.432 174.700 -0.008 0.000 0.988 147 T CA -0.266 61.833 62.100 -0.000 0.000 0.957 147 T CB 0.693 69.555 68.868 -0.009 0.000 0.930 147 T HN 0.350 nan 8.240 nan 0.000 0.443 148 L N 2.065 123.280 121.223 -0.014 0.000 2.352 148 L HA 0.458 4.847 4.340 0.081 0.000 0.269 148 L C 1.599 178.479 176.870 0.016 0.000 1.034 148 L CA -0.829 53.996 54.840 -0.025 0.000 0.806 148 L CB 1.341 43.356 42.059 -0.074 0.000 1.244 148 L HN 0.715 nan 8.230 nan 0.000 0.447 149 S N -0.974 114.750 115.700 0.041 0.000 2.558 149 S HA 0.068 4.587 4.470 0.081 0.000 0.217 149 S C 0.198 174.804 174.600 0.009 0.000 0.975 149 S CA -0.152 58.069 58.200 0.034 0.000 0.912 149 S CB -0.298 62.939 63.200 0.061 0.000 0.776 149 S HN 0.783 nan 8.310 nan 0.000 0.526 150 E N -0.486 119.709 120.200 -0.008 0.000 2.416 150 E HA 0.448 4.847 4.350 0.081 0.000 0.280 150 E C -3.587 173.011 176.600 -0.003 0.000 1.055 150 E CA -2.579 53.802 56.400 -0.033 0.000 0.825 150 E CB 0.323 29.962 29.700 -0.102 0.000 1.312 150 E HN -0.054 nan 8.360 nan 0.000 0.452 151 P HA 0.129 nan 4.420 nan 0.000 0.271 151 P C -0.844 176.491 177.300 0.059 0.000 1.220 151 P CA -0.250 62.937 63.100 0.146 0.000 0.768 151 P CB 0.703 32.522 31.700 0.198 0.000 0.848 152 V N 7.177 127.167 119.914 0.127 0.000 2.380 152 V HA 0.172 4.341 4.120 0.081 0.000 0.272 152 V C -1.683 174.376 176.094 -0.059 0.000 1.011 152 V CA -1.294 60.917 62.300 -0.148 0.000 0.826 152 V CB 1.661 33.358 31.823 -0.210 0.000 1.040 152 V HN 0.428 nan 8.190 nan 0.000 0.441 153 P HA -0.125 nan 4.420 nan 0.000 0.218 153 P C 0.968 178.360 177.300 0.154 0.000 1.149 153 P CA 1.314 64.212 63.100 -0.336 0.000 0.817 153 P CB 0.002 31.363 31.700 -0.566 0.000 0.785 154 Y N -4.690 115.670 120.300 0.099 0.000 2.493 154 Y HA 0.336 4.934 4.550 0.081 0.000 0.275 154 Y C 1.748 177.501 175.900 -0.246 0.000 1.183 154 Y CA -0.958 57.117 58.100 -0.041 0.000 1.258 154 Y CB -1.334 37.098 38.460 -0.046 0.000 1.108 154 Y HN -0.210 nan 8.280 nan 0.000 0.521 155 F N 2.547 122.208 119.950 -0.482 0.000 2.087 155 F HA -0.319 4.259 4.527 0.085 0.000 0.299 155 F C 2.370 177.804 175.800 -0.610 0.000 1.100 155 F CA 1.890 59.502 58.000 -0.647 0.000 1.226 155 F CB -0.843 37.612 39.000 -0.908 0.000 0.983 155 F HN 0.342 nan 8.300 nan 0.000 0.479 156 Y N -0.150 119.697 120.300 -0.756 0.000 2.333 156 Y HA -0.071 4.524 4.550 0.076 0.000 0.290 156 Y C 2.023 177.704 175.900 -0.365 0.000 1.144 156 Y CA 1.331 59.078 58.100 -0.588 0.000 1.228 156 Y CB -1.300 37.010 38.460 -0.250 0.000 0.985 156 Y HN 0.024 nan 8.280 nan 0.000 0.542 157 K N 0.257 120.054 120.400 -1.005 0.000 2.209 157 K HA -0.095 4.274 4.320 0.081 0.000 0.204 157 K C 1.609 178.021 176.600 -0.313 0.000 1.048 157 K CA 1.343 57.300 56.287 -0.551 0.000 0.940 157 K CB -0.228 32.033 32.500 -0.399 0.000 0.729 157 K HN 0.286 nan 8.250 nan 0.000 0.451 158 L N 0.681 121.580 121.223 -0.540 0.000 2.275 158 L HA -0.107 4.282 4.340 0.081 0.000 0.215 158 L C 1.660 178.467 176.870 -0.105 0.000 1.119 158 L CA 1.323 55.913 54.840 -0.417 0.000 0.790 158 L CB -0.303 41.284 42.059 -0.786 0.000 0.919 158 L HN 0.138 nan 8.230 nan 0.000 0.443 159 L N -0.721 120.354 121.223 -0.247 0.000 2.610 159 L HA -0.019 4.370 4.340 0.081 0.000 0.232 159 L C 1.835 178.713 176.870 0.013 0.000 1.149 159 L CA 0.051 54.812 54.840 -0.133 0.000 0.872 159 L CB -0.552 41.329 42.059 -0.297 0.000 0.992 159 L HN 0.234 nan 8.230 nan 0.000 0.447 160 V N -5.026 114.930 119.914 0.070 0.000 3.541 160 V HA 0.039 4.208 4.120 0.081 0.000 0.267 160 V C 1.257 177.417 176.094 0.110 0.000 1.213 160 V CA -0.053 62.325 62.300 0.129 0.000 1.149 160 V CB -0.863 31.059 31.823 0.166 0.000 0.822 160 V HN 0.336 nan 8.190 nan 0.000 0.462 161 H N 1.686 120.734 119.070 -0.037 0.000 2.629 161 H HA 0.248 4.852 4.556 0.080 0.000 0.357 161 H C -1.840 173.344 175.328 -0.241 0.000 1.121 161 H CA -1.303 54.614 56.048 -0.218 0.000 1.406 161 H CB 2.177 31.648 29.762 -0.484 0.000 1.456 161 H HN 0.090 nan 8.280 nan 0.000 0.579 162 P HA -0.167 nan 4.420 nan 0.000 0.218 162 P C 1.569 178.676 177.300 -0.321 0.000 1.149 162 P CA 1.796 64.626 63.100 -0.449 0.000 0.817 162 P CB 0.091 31.495 31.700 -0.493 0.000 0.785 163 S N -0.640 114.831 115.700 -0.382 0.000 2.419 163 S HA -0.111 4.408 4.470 0.081 0.000 0.235 163 S C 1.530 176.105 174.600 -0.041 0.000 1.019 163 S CA 1.491 59.609 58.200 -0.137 0.000 0.982 163 S CB -1.624 61.439 63.200 -0.228 0.000 0.789 163 S HN 0.150 nan 8.310 nan 0.000 0.490 164 V N -1.069 118.807 119.914 -0.063 0.000 3.342 164 V HA 0.441 4.609 4.120 0.081 0.000 0.322 164 V C 0.357 176.682 176.094 0.384 0.000 1.370 164 V CA -0.653 61.657 62.300 0.017 0.000 1.170 164 V CB -0.695 31.005 31.823 -0.205 0.000 1.101 164 V HN 0.271 nan 8.190 nan 0.000 0.442 165 S N 3.184 118.997 115.700 0.189 0.000 2.617 165 S HA 0.497 5.016 4.470 0.081 0.000 0.269 165 S C -2.261 172.368 174.600 0.048 0.000 1.292 165 S CA -0.596 57.706 58.200 0.171 0.000 1.010 165 S CB 1.189 64.452 63.200 0.105 0.000 0.944 165 S HN 0.487 nan 8.310 nan 0.000 0.536 166 P HA 0.315 nan 4.420 nan 0.000 0.277 166 P C -0.972 176.385 177.300 0.096 0.000 1.240 166 P CA -0.428 62.546 63.100 -0.210 0.000 0.798 166 P CB 0.734 32.081 31.700 -0.588 0.000 0.979 167 V N -1.557 118.403 119.914 0.076 0.000 2.769 167 V HA 0.645 4.814 4.120 0.081 0.000 0.312 167 V C -2.645 173.369 176.094 -0.132 0.000 1.061 167 V CA -3.037 59.212 62.300 -0.084 0.000 0.931 167 V CB 1.780 33.335 31.823 -0.448 0.000 1.010 167 V HN 0.373 nan 8.190 nan 0.000 0.433 168 P HA 0.267 nan 4.420 nan 0.000 0.284 168 P C 0.248 177.199 177.300 -0.583 0.000 1.343 168 P CA -0.259 62.378 63.100 -0.772 0.000 0.826 168 P CB 1.520 32.662 31.700 -0.930 0.000 0.956 169 K N 3.329 123.382 120.400 -0.579 0.000 2.044 169 K HA -0.205 4.164 4.320 0.081 0.000 0.210 169 K C 1.924 178.232 176.600 -0.487 0.000 1.049 169 K CA 2.510 58.334 56.287 -0.770 0.000 0.927 169 K CB -0.250 31.610 32.500 -1.068 0.000 0.713 169 K HN 0.451 nan 8.250 nan 0.000 0.443 170 S N 0.135 115.602 115.700 -0.390 0.000 2.368 170 S HA -0.124 4.395 4.470 0.081 0.000 0.225 170 S C 2.196 176.683 174.600 -0.190 0.000 1.030 170 S CA 0.990 59.032 58.200 -0.263 0.000 0.999 170 S CB -0.436 62.639 63.200 -0.209 0.000 0.844 170 S HN 0.421 nan 8.310 nan 0.000 0.459 171 A N 1.544 124.280 122.820 -0.140 0.000 1.898 171 A HA 0.123 4.492 4.320 0.081 0.000 0.216 171 A C 2.423 180.062 177.584 0.091 0.000 1.181 171 A CA 1.429 53.544 52.037 0.130 0.000 0.620 171 A CB -1.096 18.038 19.000 0.223 0.000 0.819 171 A HN 0.424 nan 8.150 nan 0.000 0.442 172 V N 0.149 119.898 119.914 -0.275 0.000 2.255 172 V HA -0.293 3.876 4.120 0.081 0.000 0.247 172 V C 2.456 178.500 176.094 -0.084 0.000 1.051 172 V CA 2.409 64.505 62.300 -0.340 0.000 1.018 172 V CB -0.816 30.723 31.823 -0.473 0.000 0.641 172 V HN 0.633 nan 8.190 nan 0.000 0.445 173 E N -0.309 119.812 120.200 -0.133 0.000 2.106 173 E HA -0.253 4.146 4.350 0.081 0.000 0.192 173 E C 2.280 178.802 176.600 -0.130 0.000 0.984 173 E CA 1.364 57.703 56.400 -0.102 0.000 0.806 173 E CB -0.085 29.534 29.700 -0.135 0.000 0.750 173 E HN 0.554 nan 8.360 nan 0.000 0.458 174 K N 0.079 120.338 120.400 -0.234 0.000 2.062 174 K HA -0.077 4.292 4.320 0.081 0.000 0.205 174 K C 1.209 177.510 176.600 -0.498 0.000 1.051 174 K CA 1.123 57.136 56.287 -0.457 0.000 0.941 174 K CB 0.086 32.146 32.500 -0.734 0.000 0.719 174 K HN 0.033 nan 8.250 nan 0.000 0.440 175 F N 0.131 120.126 119.950 0.075 0.000 2.678 175 F HA 0.324 4.900 4.527 0.081 0.000 0.305 175 F C 1.392 177.279 175.800 0.146 0.000 1.090 175 F CA 0.017 58.086 58.000 0.115 0.000 1.272 175 F CB 0.647 39.739 39.000 0.154 0.000 1.060 175 F HN 0.290 nan 8.300 nan 0.000 0.576 176 G N 2.100 111.062 108.800 0.271 0.000 2.583 176 G HA2 -0.474 3.535 3.960 0.081 0.000 0.292 176 G HA3 -0.474 3.535 3.960 0.081 0.000 0.292 176 G C 0.651 175.772 174.900 0.369 0.000 1.203 176 G CA 0.786 46.033 45.100 0.244 0.000 0.987 176 G HN 0.421 nan 8.290 nan 0.000 0.554 177 D N 0.593 121.146 120.400 0.256 0.000 2.378 177 D HA 0.066 4.755 4.640 0.081 0.000 0.227 177 D C 1.645 178.030 176.300 0.142 0.000 1.012 177 D CA 1.420 55.548 54.000 0.212 0.000 0.905 177 D CB -0.025 40.847 40.800 0.120 0.000 0.895 177 D HN 0.583 nan 8.370 nan 0.000 0.532 178 K N 0.231 120.743 120.400 0.186 0.000 2.372 178 K HA 0.075 4.444 4.320 0.081 0.000 0.200 178 K C 1.274 177.940 176.600 0.110 0.000 1.022 178 K CA -0.301 56.042 56.287 0.093 0.000 1.125 178 K CB -0.038 32.518 32.500 0.094 0.000 0.855 178 K HN 0.399 nan 8.250 nan 0.000 0.524 179 W N 1.751 123.135 121.300 0.139 0.000 2.364 179 W HA -0.166 4.542 4.660 0.080 0.000 0.281 179 W C 0.999 177.566 176.519 0.081 0.000 1.219 179 W CA 1.601 59.027 57.345 0.135 0.000 1.220 179 W CB -1.000 28.576 29.460 0.193 0.000 1.127 179 W HN -0.054 nan 8.180 nan 0.000 0.556 180 T N -0.769 113.457 114.554 -0.547 0.000 3.148 180 T HA 0.012 4.410 4.350 0.081 0.000 0.253 180 T C 0.883 175.544 174.700 -0.066 0.000 1.134 180 T CA 0.074 61.872 62.100 -0.503 0.000 1.051 180 T CB -0.169 68.344 68.868 -0.590 0.000 0.959 180 T HN -0.052 nan 8.240 nan 0.000 0.525 181 Q N 1.776 121.543 119.800 -0.055 0.000 2.421 181 Q HA 0.196 4.585 4.340 0.081 0.000 0.255 181 Q C -1.646 174.352 176.000 -0.003 0.000 1.013 181 Q CA -2.052 53.747 55.803 -0.007 0.000 0.895 181 Q CB 0.998 29.681 28.738 -0.093 0.000 1.271 181 Q HN 0.135 nan 8.270 nan 0.000 0.460 182 P HA -0.162 nan 4.420 nan 0.000 0.216 182 P C 0.594 177.885 177.300 -0.014 0.000 1.150 182 P CA 1.997 65.114 63.100 0.029 0.000 0.837 182 P CB 0.203 31.934 31.700 0.052 0.000 0.786 183 A N -1.096 121.689 122.820 -0.057 0.000 2.119 183 A HA -0.102 4.267 4.320 0.081 0.000 0.217 183 A C 1.839 179.329 177.584 -0.158 0.000 1.153 183 A CA 1.361 53.348 52.037 -0.084 0.000 0.692 183 A CB -0.746 18.200 19.000 -0.090 0.000 0.799 183 A HN 0.150 nan 8.150 nan 0.000 0.458 184 N N -1.078 117.478 118.700 -0.241 0.000 2.407 184 N HA 0.185 4.974 4.740 0.081 0.000 0.182 184 N C 0.493 175.977 175.510 -0.042 0.000 1.079 184 N CA -0.158 52.659 53.050 -0.388 0.000 0.882 184 N CB 0.195 38.166 38.487 -0.860 0.000 1.106 184 N HN 0.502 nan 8.380 nan 0.000 0.461 185 I N 1.748 122.343 120.570 0.042 0.000 2.836 185 I HA 0.018 4.237 4.170 0.081 0.000 0.285 185 I C -0.690 175.556 176.117 0.215 0.000 1.174 185 I CA 0.005 61.431 61.300 0.211 0.000 1.405 185 I CB 0.729 38.794 38.000 0.108 0.000 1.385 185 I HN -0.302 nan 8.210 nan 0.000 0.594 186 V N 5.449 125.559 119.914 0.327 0.000 2.623 186 V HA 0.437 4.605 4.120 0.081 0.000 0.304 186 V C -0.210 176.158 176.094 0.457 0.000 1.054 186 V CA -0.487 61.973 62.300 0.266 0.000 0.882 186 V CB 1.898 33.772 31.823 0.086 0.000 1.002 186 V HN 0.884 nan 8.190 nan 0.000 0.424 187 T N 0.006 114.792 114.554 0.387 0.000 2.916 187 T HA 0.488 4.887 4.350 0.081 0.000 0.292 187 T C 0.143 175.006 174.700 0.273 0.000 1.055 187 T CA -0.649 61.581 62.100 0.217 0.000 1.009 187 T CB 2.142 70.836 68.868 -0.291 0.000 1.118 187 T HN 0.644 nan 8.240 nan 0.000 0.497 188 N N -0.434 118.259 118.700 -0.013 0.000 2.170 188 N HA 0.217 5.006 4.740 0.081 0.000 0.222 188 N C 0.593 176.069 175.510 -0.056 0.000 1.218 188 N CA -0.350 52.604 53.050 -0.160 0.000 0.889 188 N CB 0.443 38.493 38.487 -0.728 0.000 1.083 188 N HN 0.814 nan 8.380 nan 0.000 0.520 189 G N 0.023 108.722 108.800 -0.169 0.000 2.510 189 G HA2 0.521 4.530 3.960 0.081 0.000 0.280 189 G HA3 0.521 4.530 3.960 0.081 0.000 0.280 189 G C 0.803 175.302 174.900 -0.668 0.000 1.386 189 G CA -0.009 44.899 45.100 -0.319 0.000 1.047 189 G HN 0.204 nan 8.290 nan 0.000 0.527 190 A N -1.753 120.471 122.820 -0.993 0.000 2.121 190 A HA 0.279 4.648 4.320 0.081 0.000 0.218 190 A C 0.416 177.456 177.584 -0.905 0.000 1.154 190 A CA 0.868 52.225 52.037 -1.132 0.000 0.679 190 A CB -0.354 18.082 19.000 -0.939 0.000 0.795 190 A HN 0.457 nan 8.150 nan 0.000 0.458 191 Y N -1.274 118.881 120.300 -0.242 0.000 2.630 191 Y HA 0.589 5.186 4.550 0.077 0.000 0.337 191 Y C 0.265 176.083 175.900 -0.138 0.000 1.051 191 Y CA -0.912 57.105 58.100 -0.139 0.000 1.121 191 Y CB 1.518 39.915 38.460 -0.104 0.000 1.299 191 Y HN -0.098 nan 8.280 nan 0.000 0.498 192 K N 1.092 121.531 120.400 0.066 0.000 2.385 192 K HA 0.480 4.849 4.320 0.081 0.000 0.248 192 K C -1.782 174.831 176.600 0.022 0.000 0.955 192 K CA -1.201 55.095 56.287 0.015 0.000 0.816 192 K CB 2.574 35.093 32.500 0.031 0.000 1.250 192 K HN 0.402 nan 8.250 nan 0.000 0.434 193 L N 2.733 123.950 121.223 -0.011 0.000 2.313 193 L HA 0.174 4.563 4.340 0.081 0.000 0.282 193 L C 0.951 177.835 176.870 0.023 0.000 1.092 193 L CA 0.684 55.517 54.840 -0.012 0.000 0.831 193 L CB 0.647 42.684 42.059 -0.036 0.000 1.159 193 L HN 0.671 nan 8.230 nan 0.000 0.442 194 K N 3.454 123.873 120.400 0.032 0.000 2.121 194 K HA 0.211 4.579 4.320 0.081 0.000 0.203 194 K C -0.113 176.519 176.600 0.053 0.000 1.041 194 K CA 0.349 56.660 56.287 0.041 0.000 0.969 194 K CB 0.404 32.928 32.500 0.040 0.000 0.799 194 K HN 0.751 nan 8.250 nan 0.000 0.456 195 N N -0.781 117.959 118.700 0.066 0.000 2.284 195 N HA 0.116 4.905 4.740 0.081 0.000 0.289 195 N C -1.993 173.628 175.510 0.185 0.000 1.179 195 N CA -0.508 52.603 53.050 0.101 0.000 0.774 195 N CB 1.708 40.242 38.487 0.078 0.000 1.548 195 N HN 0.075 nan 8.380 nan 0.000 0.473 196 W N 2.493 123.779 121.300 -0.024 0.000 2.740 196 W HA 0.426 5.137 4.660 0.085 0.000 0.316 196 W C -2.060 174.444 176.519 -0.025 0.000 1.020 196 W CA -0.633 56.696 57.345 -0.028 0.000 1.278 196 W CB 0.353 29.786 29.460 -0.045 0.000 1.224 196 W HN 0.096 nan 8.180 nan 0.000 0.393 197 V N 6.707 126.806 119.914 0.308 0.000 2.334 197 V HA 0.259 4.428 4.120 0.081 0.000 0.281 197 V C 0.328 176.494 176.094 0.121 0.000 1.016 197 V CA -1.041 61.317 62.300 0.097 0.000 0.832 197 V CB 1.178 33.042 31.823 0.068 0.000 0.999 197 V HN 0.187 nan 8.190 nan 0.000 0.439 198 V N 5.717 125.594 119.914 -0.062 0.000 2.617 198 V HA 0.020 4.189 4.120 0.081 0.000 0.304 198 V C 1.248 177.369 176.094 0.045 0.000 1.040 198 V CA 0.924 63.215 62.300 -0.014 0.000 1.149 198 V CB -0.467 31.267 31.823 -0.149 0.000 0.914 198 V HN 1.153 nan 8.190 nan 0.000 0.487 199 N N 2.153 120.909 118.700 0.093 0.000 2.800 199 N HA -0.218 4.571 4.740 0.081 0.000 0.250 199 N C 0.906 176.448 175.510 0.052 0.000 1.078 199 N CA 1.135 54.222 53.050 0.062 0.000 0.804 199 N CB -0.422 38.084 38.487 0.033 0.000 1.135 199 N HN 0.899 nan 8.380 nan 0.000 0.565 200 E N -0.186 120.058 120.200 0.074 0.000 3.441 200 E HA 0.227 4.626 4.350 0.081 0.000 0.195 200 E C -0.062 176.577 176.600 0.065 0.000 1.172 200 E CA 0.067 56.500 56.400 0.055 0.000 1.457 200 E CB 0.791 30.518 29.700 0.046 0.000 1.388 200 E HN 0.356 nan 8.360 nan 0.000 0.551 201 R N -0.113 120.449 120.500 0.103 0.000 2.690 201 R HA 0.477 4.866 4.340 0.081 0.000 0.269 201 R C -1.706 174.672 176.300 0.130 0.000 1.037 201 R CA -0.691 55.463 56.100 0.090 0.000 0.877 201 R CB 0.614 30.946 30.300 0.054 0.000 1.255 201 R HN -0.008 nan 8.270 nan 0.000 0.467 202 I N 1.984 122.595 120.570 0.068 0.000 2.418 202 I HA 0.391 4.609 4.170 0.081 0.000 0.287 202 I C -0.888 175.247 176.117 0.030 0.000 1.008 202 I CA -1.186 60.116 61.300 0.003 0.000 1.104 202 I CB 2.365 40.259 38.000 -0.176 0.000 1.264 202 I HN 0.323 nan 8.210 nan 0.000 0.438 203 V N 7.344 127.272 119.914 0.023 0.000 2.409 203 V HA 0.493 4.662 4.120 0.081 0.000 0.291 203 V C -0.119 175.980 176.094 0.009 0.000 1.020 203 V CA -0.528 61.779 62.300 0.012 0.000 0.848 203 V CB 1.815 33.650 31.823 0.019 0.000 0.990 203 V HN 0.468 nan 8.190 nan 0.000 0.430 204 L N 4.924 126.145 121.223 -0.003 0.000 2.334 204 L HA 0.750 5.139 4.340 0.081 0.000 0.273 204 L C -0.041 176.882 176.870 0.089 0.000 1.013 204 L CA -0.577 54.278 54.840 0.024 0.000 0.816 204 L CB 2.044 44.088 42.059 -0.025 0.000 1.278 204 L HN 0.789 nan 8.230 nan 0.000 0.431 205 E N 1.798 122.101 120.200 0.172 0.000 2.312 205 E HA 0.418 4.817 4.350 0.081 0.000 0.267 205 E C -0.837 175.914 176.600 0.252 0.000 0.894 205 E CA -1.124 55.396 56.400 0.199 0.000 0.773 205 E CB 2.170 31.928 29.700 0.098 0.000 1.241 205 E HN 0.454 nan 8.360 nan 0.000 0.432 206 R N 1.585 122.182 120.500 0.163 0.000 2.619 206 R HA -0.100 4.289 4.340 0.081 0.000 0.268 206 R C -0.624 175.606 176.300 -0.118 0.000 0.990 206 R CA 0.196 56.211 56.100 -0.142 0.000 1.092 206 R CB 0.238 30.488 30.300 -0.082 0.000 0.935 206 R HN 0.603 nan 8.270 nan 0.000 0.415 207 N N 5.830 124.397 118.700 -0.221 0.000 2.527 207 N HA 0.185 4.974 4.740 0.081 0.000 0.236 207 N C -1.970 173.520 175.510 -0.034 0.000 0.999 207 N CA -2.377 50.622 53.050 -0.085 0.000 0.935 207 N CB 1.476 39.906 38.487 -0.094 0.000 1.132 207 N HN 0.386 nan 8.380 nan 0.000 0.511 208 P HA -0.103 nan 4.420 nan 0.000 0.226 208 P C 0.455 177.780 177.300 0.041 0.000 1.153 208 P CA 0.967 64.075 63.100 0.013 0.000 0.777 208 P CB 0.532 32.242 31.700 0.017 0.000 0.794 209 Q N -1.499 118.344 119.800 0.071 0.000 2.432 209 Q HA -0.030 4.359 4.340 0.081 0.000 0.205 209 Q C 0.576 176.652 176.000 0.126 0.000 0.945 209 Q CA -0.078 55.784 55.803 0.098 0.000 0.924 209 Q CB -0.742 28.072 28.738 0.127 0.000 1.016 209 Q HN 0.335 nan 8.270 nan 0.000 0.503 210 Y N 2.489 122.763 120.300 -0.045 0.000 2.810 210 Y HA -0.198 4.398 4.550 0.077 0.000 0.332 210 Y C 1.335 177.194 175.900 -0.068 0.000 1.243 210 Y CA -0.446 57.598 58.100 -0.093 0.000 1.537 210 Y CB 0.283 38.603 38.460 -0.232 0.000 1.265 210 Y HN 0.243 nan 8.280 nan 0.000 0.572 211 W N 4.078 125.060 121.300 -0.529 0.000 2.350 211 W HA -0.187 4.520 4.660 0.078 0.000 0.289 211 W C 0.286 176.484 176.519 -0.535 0.000 1.215 211 W CA 1.332 58.404 57.345 -0.455 0.000 1.236 211 W CB -0.376 28.867 29.460 -0.361 0.000 1.130 211 W HN 0.528 nan 8.180 nan 0.000 0.541 212 D N 0.751 120.001 120.400 -1.916 0.000 2.427 212 D HA -0.021 4.668 4.640 0.081 0.000 0.224 212 D C 1.476 177.449 176.300 -0.544 0.000 1.157 212 D CA 0.054 53.283 54.000 -1.285 0.000 0.828 212 D CB -0.625 39.046 40.800 -1.882 0.000 0.974 212 D HN 0.018 nan 8.370 nan 0.000 0.498 213 N N 0.452 118.958 118.700 -0.323 0.000 2.137 213 N HA -0.212 4.577 4.740 0.081 0.000 0.190 213 N C 1.682 177.146 175.510 -0.076 0.000 1.017 213 N CA 1.684 54.688 53.050 -0.077 0.000 0.859 213 N CB -0.041 38.425 38.487 -0.036 0.000 1.002 213 N HN 0.154 nan 8.380 nan 0.000 0.428 214 A N 0.092 122.861 122.820 -0.085 0.000 2.024 214 A HA -0.132 4.237 4.320 0.081 0.000 0.220 214 A C 1.931 179.488 177.584 -0.044 0.000 1.164 214 A CA 1.365 53.372 52.037 -0.049 0.000 0.643 214 A CB -0.317 18.661 19.000 -0.037 0.000 0.806 214 A HN 0.399 nan 8.150 nan 0.000 0.451 215 K N -0.542 119.819 120.400 -0.064 0.000 2.393 215 K HA 0.058 4.427 4.320 0.081 0.000 0.193 215 K C -0.151 176.445 176.600 -0.008 0.000 1.026 215 K CA 0.152 56.416 56.287 -0.038 0.000 1.064 215 K CB 0.135 32.603 32.500 -0.053 0.000 0.833 215 K HN 0.307 nan 8.250 nan 0.000 0.521 216 T N 0.897 115.443 114.554 -0.014 0.000 2.901 216 T HA 0.064 4.463 4.350 0.081 0.000 0.301 216 T C 1.264 175.988 174.700 0.040 0.000 1.012 216 T CA -0.173 61.932 62.100 0.009 0.000 1.135 216 T CB 1.755 70.578 68.868 -0.075 0.000 0.936 216 T HN -0.190 nan 8.240 nan 0.000 0.539 217 V N 2.798 122.771 119.914 0.099 0.000 2.911 217 V HA 0.171 4.340 4.120 0.081 0.000 0.237 217 V C 0.956 177.129 176.094 0.133 0.000 1.156 217 V CA 0.173 62.539 62.300 0.110 0.000 1.180 217 V CB 0.153 32.064 31.823 0.146 0.000 0.932 217 V HN 0.718 nan 8.190 nan 0.000 0.483 218 I N 2.732 123.413 120.570 0.185 0.000 2.533 218 I HA 0.082 4.300 4.170 0.081 0.000 0.284 218 I C 0.947 177.204 176.117 0.233 0.000 1.109 218 I CA 0.574 61.986 61.300 0.187 0.000 1.412 218 I CB 0.452 38.553 38.000 0.169 0.000 1.396 218 I HN 0.323 nan 8.210 nan 0.000 0.543 219 N N 4.439 123.232 118.700 0.156 0.000 2.405 219 N HA -0.007 4.782 4.740 0.081 0.000 0.175 219 N C 0.419 176.038 175.510 0.181 0.000 1.051 219 N CA 0.455 53.594 53.050 0.148 0.000 0.899 219 N CB 0.687 39.221 38.487 0.078 0.000 1.000 219 N HN 0.652 nan 8.380 nan 0.000 0.451 220 Q N 0.437 120.309 119.800 0.120 0.000 2.320 220 Q HA 0.410 4.798 4.340 0.081 0.000 0.272 220 Q C -2.166 173.793 176.000 -0.068 0.000 1.023 220 Q CA -0.438 55.394 55.803 0.048 0.000 0.855 220 Q CB 2.434 31.188 28.738 0.027 0.000 1.367 220 Q HN -0.107 nan 8.270 nan 0.000 0.406 221 V N 2.636 122.445 119.914 -0.175 0.000 2.709 221 V HA 0.710 4.878 4.120 0.081 0.000 0.308 221 V C -1.319 174.626 176.094 -0.249 0.000 1.062 221 V CA -0.048 62.081 62.300 -0.285 0.000 0.901 221 V CB 2.438 33.977 31.823 -0.473 0.000 1.003 221 V HN 0.887 nan 8.190 nan 0.000 0.425 222 T N 6.503 120.896 114.554 -0.269 0.000 2.797 222 T HA 0.598 4.997 4.350 0.081 0.000 0.279 222 T C -1.323 173.189 174.700 -0.312 0.000 0.991 222 T CA 0.072 62.064 62.100 -0.181 0.000 0.979 222 T CB 0.939 69.744 68.868 -0.105 0.000 0.943 222 T HN 0.563 nan 8.240 nan 0.000 0.444 223 Y N 2.482 122.715 120.300 -0.112 0.000 2.331 223 Y HA 0.555 5.152 4.550 0.079 0.000 0.338 223 Y C 0.156 176.002 175.900 -0.089 0.000 0.992 223 Y CA -0.887 57.144 58.100 -0.115 0.000 1.121 223 Y CB 0.946 39.315 38.460 -0.153 0.000 1.184 223 Y HN 0.394 nan 8.280 nan 0.000 0.469 224 L N 5.875 127.121 121.223 0.039 0.000 2.334 224 L HA 0.533 4.922 4.340 0.081 0.000 0.270 224 L C -2.007 174.853 176.870 -0.016 0.000 1.018 224 L CA -1.947 52.900 54.840 0.012 0.000 0.811 224 L CB 2.033 44.086 42.059 -0.010 0.000 1.271 224 L HN 0.427 nan 8.230 nan 0.000 0.443 225 P HA 0.263 nan 4.420 nan 0.000 0.253 225 P C -0.433 176.820 177.300 -0.078 0.000 1.863 225 P CA -0.073 62.990 63.100 -0.061 0.000 1.145 225 P CB 0.031 31.731 31.700 0.000 0.000 1.666 226 I N 1.197 121.717 120.570 -0.083 0.000 2.379 226 I HA 0.055 4.274 4.170 0.081 0.000 0.290 226 I C 1.595 177.653 176.117 -0.098 0.000 1.063 226 I CA 0.084 61.346 61.300 -0.064 0.000 1.351 226 I CB 0.921 38.901 38.000 -0.034 0.000 1.410 226 I HN 0.028 nan 8.210 nan 0.000 0.505 227 S N 2.218 117.874 115.700 -0.074 0.000 2.535 227 S HA 0.020 4.538 4.470 0.081 0.000 0.214 227 S C 0.872 175.451 174.600 -0.036 0.000 0.980 227 S CA -0.427 57.726 58.200 -0.078 0.000 0.907 227 S CB 0.188 63.357 63.200 -0.051 0.000 0.790 227 S HN 0.591 nan 8.310 nan 0.000 0.510 228 S N 1.328 117.015 115.700 -0.021 0.000 2.422 228 S HA 0.269 4.788 4.470 0.081 0.000 0.283 228 S C 0.674 175.267 174.600 -0.011 0.000 1.163 228 S CA -0.509 57.685 58.200 -0.010 0.000 1.054 228 S CB 0.691 63.890 63.200 -0.001 0.000 0.967 228 S HN 0.363 nan 8.310 nan 0.000 0.499 229 E N 3.507 123.697 120.200 -0.017 0.000 2.150 229 E HA -0.081 4.318 4.350 0.081 0.000 0.193 229 E C 1.878 178.473 176.600 -0.008 0.000 0.985 229 E CA 0.992 57.385 56.400 -0.012 0.000 0.814 229 E CB -0.145 29.536 29.700 -0.032 0.000 0.752 229 E HN 0.577 nan 8.360 nan 0.000 0.466 230 V N 0.689 120.599 119.914 -0.008 0.000 2.295 230 V HA -0.276 3.893 4.120 0.081 0.000 0.246 230 V C 2.115 178.213 176.094 0.007 0.000 1.049 230 V CA 2.220 64.519 62.300 -0.001 0.000 1.024 230 V CB -0.760 31.062 31.823 -0.001 0.000 0.648 230 V HN 0.350 nan 8.190 nan 0.000 0.447 231 T N -0.569 113.989 114.554 0.007 0.000 2.746 231 T HA -0.217 4.182 4.350 0.081 0.000 0.267 231 T C 1.774 176.486 174.700 0.020 0.000 1.039 231 T CA 1.699 63.806 62.100 0.012 0.000 1.142 231 T CB -0.396 68.476 68.868 0.007 0.000 0.866 231 T HN 0.521 nan 8.240 nan 0.000 0.444 232 D N 1.024 121.433 120.400 0.015 0.000 2.092 232 D HA -0.102 4.587 4.640 0.081 0.000 0.193 232 D C 2.161 178.486 176.300 0.042 0.000 0.994 232 D CA 0.916 54.931 54.000 0.024 0.000 0.828 232 D CB -0.508 40.301 40.800 0.016 0.000 0.963 232 D HN 0.181 nan 8.370 nan 0.000 0.450 233 V N 1.088 121.011 119.914 0.015 0.000 2.343 233 V HA -0.242 3.927 4.120 0.081 0.000 0.247 233 V C 2.253 178.396 176.094 0.083 0.000 1.051 233 V CA 1.760 64.071 62.300 0.017 0.000 1.036 233 V CB -0.641 31.171 31.823 -0.018 0.000 0.654 233 V HN 0.234 nan 8.190 nan 0.000 0.451 234 N N 0.449 119.181 118.700 0.054 0.000 2.069 234 N HA -0.157 4.631 4.740 0.081 0.000 0.191 234 N C 1.954 177.504 175.510 0.066 0.000 1.031 234 N CA 1.474 54.556 53.050 0.053 0.000 0.852 234 N CB -0.370 38.136 38.487 0.031 0.000 1.018 234 N HN 0.476 nan 8.380 nan 0.000 0.423 235 R N -0.775 119.765 120.500 0.066 0.000 2.189 235 R HA -0.054 4.335 4.340 0.081 0.000 0.218 235 R C 1.850 178.199 176.300 0.080 0.000 1.074 235 R CA 0.425 56.559 56.100 0.056 0.000 0.991 235 R CB -0.230 30.094 30.300 0.039 0.000 0.883 235 R HN 0.359 nan 8.270 nan 0.000 0.457 236 Y N 1.541 121.828 120.300 -0.022 0.000 2.133 236 Y HA -0.140 4.457 4.550 0.079 0.000 0.287 236 Y C 2.057 177.943 175.900 -0.024 0.000 1.134 236 Y CA 1.423 59.501 58.100 -0.037 0.000 1.133 236 Y CB 0.088 38.510 38.460 -0.064 0.000 0.987 236 Y HN -0.192 nan 8.280 nan 0.000 0.502 237 R N -0.055 120.548 120.500 0.172 0.000 2.189 237 R HA -0.097 4.292 4.340 0.081 0.000 0.223 237 R C 2.368 178.670 176.300 0.004 0.000 1.092 237 R CA 1.224 57.365 56.100 0.067 0.000 0.989 237 R CB -0.476 29.894 30.300 0.116 0.000 0.876 237 R HN 0.483 nan 8.270 nan 0.000 0.457 238 S N -0.889 114.817 115.700 0.011 0.000 2.522 238 S HA 0.066 4.585 4.470 0.081 0.000 0.227 238 S C 1.467 176.066 174.600 -0.002 0.000 0.986 238 S CA 0.696 58.901 58.200 0.007 0.000 0.929 238 S CB 0.546 63.754 63.200 0.013 0.000 0.769 238 S HN 0.495 nan 8.310 nan 0.000 0.529 239 G N 0.904 109.687 108.800 -0.028 0.000 2.201 239 G HA2 -0.264 3.745 3.960 0.081 0.000 0.212 239 G HA3 -0.264 3.745 3.960 0.081 0.000 0.212 239 G C 0.607 175.509 174.900 0.003 0.000 0.994 239 G CA 0.407 45.505 45.100 -0.002 0.000 0.644 239 G HN 0.520 nan 8.290 nan 0.000 0.508 240 E N -0.151 120.046 120.200 -0.006 0.000 2.072 240 E HA 0.120 4.519 4.350 0.081 0.000 0.190 240 E C 0.886 177.486 176.600 -0.002 0.000 0.982 240 E CA 0.450 56.851 56.400 0.001 0.000 0.803 240 E CB -0.010 29.692 29.700 0.004 0.000 0.755 240 E HN 0.598 nan 8.360 nan 0.000 0.453 241 I N 1.678 122.243 120.570 -0.008 0.000 2.359 241 I HA 0.062 4.281 4.170 0.081 0.000 0.294 241 I C 0.308 176.402 176.117 -0.037 0.000 0.987 241 I CA -0.561 60.746 61.300 0.010 0.000 1.225 241 I CB 1.585 39.634 38.000 0.082 0.000 1.366 241 I HN -0.002 nan 8.210 nan 0.000 0.466 242 D N 5.357 125.744 120.400 -0.022 0.000 2.277 242 D HA 0.148 4.837 4.640 0.081 0.000 0.209 242 D C 0.243 176.543 176.300 -0.001 0.000 0.970 242 D CA 1.323 55.278 54.000 -0.074 0.000 0.874 242 D CB 0.542 41.335 40.800 -0.013 0.000 0.982 242 D HN 0.407 nan 8.370 nan 0.000 0.504 243 M N 0.743 120.351 119.600 0.013 0.000 2.213 243 M HA 0.168 4.697 4.480 0.081 0.000 0.286 243 M C -0.173 176.107 176.300 -0.034 0.000 1.008 243 M CA -0.469 54.802 55.300 -0.048 0.000 0.937 243 M CB 2.693 35.175 32.600 -0.197 0.000 1.600 243 M HN -0.212 nan 8.290 nan 0.000 0.450 244 T N -0.595 113.901 114.554 -0.098 0.000 2.754 244 T HA 0.308 4.707 4.350 0.081 0.000 0.286 244 T C -0.200 174.481 174.700 -0.031 0.000 0.997 244 T CA -0.333 61.726 62.100 -0.070 0.000 0.982 244 T CB 0.876 69.641 68.868 -0.172 0.000 1.027 244 T HN 0.484 nan 8.240 nan 0.000 0.529 245 Y N 1.752 121.985 120.300 -0.111 0.000 2.296 245 Y HA 0.246 4.846 4.550 0.083 0.000 0.343 245 Y C 1.228 177.067 175.900 -0.102 0.000 1.292 245 Y CA -0.918 57.122 58.100 -0.101 0.000 1.490 245 Y CB 0.489 38.895 38.460 -0.090 0.000 1.359 245 Y HN 0.801 nan 8.280 nan 0.000 0.599 246 N N 1.847 120.115 118.700 -0.719 0.000 2.758 246 N HA 0.086 4.874 4.740 0.081 0.000 0.293 246 N C -1.652 173.672 175.510 -0.310 0.000 1.273 246 N CA -0.151 52.628 53.050 -0.452 0.000 1.022 246 N CB -0.787 37.453 38.487 -0.412 0.000 1.334 246 N HN 0.347 nan 8.380 nan 0.000 0.519 247 N N 0.853 119.452 118.700 -0.168 0.000 2.443 247 N HA 0.299 5.088 4.740 0.081 0.000 0.269 247 N C -0.673 174.800 175.510 -0.060 0.000 0.985 247 N CA -0.256 52.772 53.050 -0.037 0.000 0.921 247 N CB 1.306 39.829 38.487 0.060 0.000 1.195 247 N HN 0.172 nan 8.380 nan 0.000 0.492 248 M N 2.691 122.224 119.600 -0.111 0.000 2.404 248 M HA 0.446 4.975 4.480 0.081 0.000 0.338 248 M C -2.285 173.959 176.300 -0.093 0.000 1.150 248 M CA -2.139 53.108 55.300 -0.087 0.000 1.016 248 M CB 1.654 34.194 32.600 -0.099 0.000 1.672 248 M HN 0.165 nan 8.290 nan 0.000 0.448 249 P HA 0.230 nan 4.420 nan 0.000 0.281 249 P C 0.595 177.887 177.300 -0.013 0.000 1.252 249 P CA -0.106 62.974 63.100 -0.033 0.000 0.778 249 P CB 0.984 32.677 31.700 -0.011 0.000 0.895 250 I N 1.969 122.510 120.570 -0.049 0.000 2.361 250 I HA -0.271 3.948 4.170 0.081 0.000 0.251 250 I C 1.992 178.110 176.117 0.002 0.000 1.133 250 I CA 1.560 62.839 61.300 -0.035 0.000 1.413 250 I CB -0.336 37.624 38.000 -0.068 0.000 1.073 250 I HN 0.342 nan 8.210 nan 0.000 0.424 251 E N 0.653 120.851 120.200 -0.004 0.000 2.085 251 E HA -0.170 4.228 4.350 0.081 0.000 0.194 251 E C 1.945 178.553 176.600 0.013 0.000 0.994 251 E CA 1.305 57.706 56.400 0.001 0.000 0.801 251 E CB -0.072 29.626 29.700 -0.004 0.000 0.743 251 E HN 0.470 nan 8.360 nan 0.000 0.453 252 L N -1.229 120.011 121.223 0.028 0.000 2.609 252 L HA 0.200 4.588 4.340 0.081 0.000 0.230 252 L C 1.653 178.547 176.870 0.040 0.000 1.087 252 L CA -0.277 54.575 54.840 0.021 0.000 0.874 252 L CB -0.024 42.041 42.059 0.009 0.000 1.114 252 L HN 0.057 nan 8.230 nan 0.000 0.488 253 F N 1.913 121.821 119.950 -0.070 0.000 2.069 253 F HA -0.266 4.308 4.527 0.079 0.000 0.298 253 F C 2.671 178.430 175.800 -0.068 0.000 1.113 253 F CA 1.797 59.751 58.000 -0.078 0.000 1.214 253 F CB 0.016 38.964 39.000 -0.087 0.000 0.978 253 F HN 0.061 nan 8.300 nan 0.000 0.474 254 Q N 0.667 120.466 119.800 -0.001 0.000 2.135 254 Q HA -0.212 4.177 4.340 0.081 0.000 0.204 254 Q C 2.137 178.038 176.000 -0.165 0.000 0.981 254 Q CA 1.849 57.587 55.803 -0.108 0.000 0.856 254 Q CB -0.604 28.129 28.738 -0.009 0.000 0.902 254 Q HN 0.472 nan 8.270 nan 0.000 0.425 255 K N 0.386 120.718 120.400 -0.114 0.000 2.057 255 K HA -0.040 4.328 4.320 0.081 0.000 0.206 255 K C 2.278 178.792 176.600 -0.143 0.000 1.050 255 K CA 0.767 56.993 56.287 -0.102 0.000 0.935 255 K CB -0.173 32.291 32.500 -0.061 0.000 0.715 255 K HN 0.092 nan 8.250 nan 0.000 0.439 256 L N 0.899 122.006 121.223 -0.194 0.000 2.083 256 L HA -0.189 4.200 4.340 0.081 0.000 0.209 256 L C 2.396 179.101 176.870 -0.275 0.000 1.083 256 L CA 1.004 55.713 54.840 -0.218 0.000 0.752 256 L CB -0.306 41.607 42.059 -0.243 0.000 0.899 256 L HN 0.059 nan 8.230 nan 0.000 0.433 257 K N 0.235 120.392 120.400 -0.406 0.000 2.211 257 K HA -0.134 4.234 4.320 0.081 0.000 0.203 257 K C 1.964 178.443 176.600 -0.201 0.000 1.050 257 K CA 1.252 57.327 56.287 -0.353 0.000 0.945 257 K CB 0.109 32.346 32.500 -0.438 0.000 0.732 257 K HN 0.007 nan 8.250 nan 0.000 0.451 258 K N 0.071 120.373 120.400 -0.164 0.000 2.262 258 K HA 0.030 4.399 4.320 0.081 0.000 0.200 258 K C 1.755 178.304 176.600 -0.086 0.000 1.049 258 K CA 0.925 57.148 56.287 -0.106 0.000 0.979 258 K CB 0.198 32.647 32.500 -0.086 0.000 0.773 258 K HN 0.297 nan 8.250 nan 0.000 0.474 259 E N 0.433 120.578 120.200 -0.092 0.000 2.102 259 E HA 0.059 4.458 4.350 0.081 0.000 0.190 259 E C 0.659 177.224 176.600 -0.059 0.000 0.971 259 E CA 0.583 56.944 56.400 -0.065 0.000 0.821 259 E CB 0.375 30.041 29.700 -0.056 0.000 0.777 259 E HN 0.274 nan 8.360 nan 0.000 0.460 260 I N -3.074 117.449 120.570 -0.078 0.000 2.931 260 I HA 0.297 4.516 4.170 0.081 0.000 0.322 260 I C -2.323 173.741 176.117 -0.089 0.000 1.446 260 I CA -1.610 59.651 61.300 -0.064 0.000 0.825 260 I CB 1.238 39.215 38.000 -0.037 0.000 2.195 260 I HN -0.198 nan 8.210 nan 0.000 0.608 261 P HA -0.203 nan 4.420 nan 0.000 0.216 261 P C 0.805 178.058 177.300 -0.078 0.000 1.154 261 P CA 1.668 64.710 63.100 -0.097 0.000 0.865 261 P CB 0.026 31.679 31.700 -0.078 0.000 0.789 262 N N -0.206 118.457 118.700 -0.061 0.000 2.453 262 N HA -0.095 4.694 4.740 0.081 0.000 0.183 262 N C 1.569 177.042 175.510 -0.061 0.000 1.041 262 N CA 0.841 53.860 53.050 -0.051 0.000 0.900 262 N CB -0.399 38.063 38.487 -0.041 0.000 0.961 262 N HN 0.444 nan 8.380 nan 0.000 0.443 263 E N -0.267 119.889 120.200 -0.072 0.000 2.415 263 E HA 0.100 4.499 4.350 0.081 0.000 0.197 263 E C -0.231 176.302 176.600 -0.110 0.000 1.007 263 E CA 0.016 56.368 56.400 -0.079 0.000 0.890 263 E CB 0.731 30.408 29.700 -0.038 0.000 0.891 263 E HN -0.024 nan 8.360 nan 0.000 0.496 264 V N 4.111 123.956 119.914 -0.114 0.000 2.370 264 V HA 0.090 4.259 4.120 0.081 0.000 0.257 264 V C 0.100 176.165 176.094 -0.049 0.000 1.064 264 V CA -0.090 62.143 62.300 -0.112 0.000 0.975 264 V CB 0.030 31.747 31.823 -0.177 0.000 1.067 264 V HN 0.114 nan 8.190 nan 0.000 0.485 265 R N 4.074 124.559 120.500 -0.024 0.000 2.265 265 R HA 0.617 5.006 4.340 0.081 0.000 0.319 265 R C -0.906 175.414 176.300 0.033 0.000 1.006 265 R CA -0.514 55.597 56.100 0.018 0.000 0.880 265 R CB 1.688 32.039 30.300 0.084 0.000 1.077 265 R HN 0.411 nan 8.270 nan 0.000 0.454 266 V N 3.911 123.842 119.914 0.029 0.000 2.447 266 V HA 0.352 4.521 4.120 0.081 0.000 0.292 266 V C -0.410 175.686 176.094 0.003 0.000 1.021 266 V CA -0.693 61.628 62.300 0.035 0.000 0.850 266 V CB 1.936 33.806 31.823 0.078 0.000 1.005 266 V HN 0.699 nan 8.190 nan 0.000 0.426 267 D N 4.399 124.791 120.400 -0.014 0.000 2.559 267 D HA 0.469 5.158 4.640 0.081 0.000 0.250 267 D C -2.881 173.423 176.300 0.006 0.000 1.135 267 D CA -1.467 52.516 54.000 -0.029 0.000 0.955 267 D CB 2.957 43.714 40.800 -0.072 0.000 1.442 267 D HN 0.197 nan 8.370 nan 0.000 0.471 268 P HA 0.044 nan 4.420 nan 0.000 0.267 268 P C -1.000 176.429 177.300 0.215 0.000 1.200 268 P CA 0.301 63.430 63.100 0.049 0.000 0.772 268 P CB 0.264 31.956 31.700 -0.014 0.000 0.855 269 Y N 1.741 122.143 120.300 0.170 0.000 2.441 269 Y HA 0.335 4.935 4.550 0.084 0.000 0.334 269 Y C -0.894 175.166 175.900 0.266 0.000 1.061 269 Y CA -1.279 56.925 58.100 0.172 0.000 1.032 269 Y CB 1.363 39.908 38.460 0.141 0.000 1.266 269 Y HN 0.149 nan 8.280 nan 0.000 0.441 270 L N 5.830 127.166 121.223 0.188 0.000 2.536 270 L HA 0.342 4.731 4.340 0.081 0.000 0.242 270 L C -0.923 175.882 176.870 -0.107 0.000 1.280 270 L CA 0.155 54.988 54.840 -0.011 0.000 1.221 270 L CB -0.541 41.508 42.059 -0.017 0.000 1.449 270 L HN 0.525 nan 8.230 nan 0.000 0.405 271 c N -0.680 117.818 118.600 -0.170 0.000 2.898 271 c HA 0.680 5.299 4.570 0.081 0.000 0.304 271 c C 0.360 174.591 174.090 0.234 0.000 1.237 271 c CA -0.657 55.550 56.329 -0.204 0.000 1.529 271 c CB 2.183 44.028 42.510 -1.109 0.000 2.021 271 c HN 0.427 nan 8.230 nan 0.000 0.474 272 T N 1.176 115.973 114.554 0.405 0.000 2.824 272 T HA 0.415 4.813 4.350 0.081 0.000 0.282 272 T C -1.244 173.835 174.700 0.631 0.000 0.993 272 T CA -0.155 62.260 62.100 0.526 0.000 0.967 272 T CB 0.811 69.919 68.868 0.400 0.000 0.960 272 T HN 0.584 nan 8.240 nan 0.000 0.441 273 Y N 4.409 124.844 120.300 0.226 0.000 2.326 273 Y HA 0.565 5.163 4.550 0.080 0.000 0.337 273 Y C -0.587 175.257 175.900 -0.095 0.000 1.023 273 Y CA -0.488 57.527 58.100 -0.142 0.000 1.143 273 Y CB 0.519 38.258 38.460 -1.201 0.000 1.183 273 Y HN 0.758 nan 8.280 nan 0.000 0.485 274 Y N 2.075 122.260 120.300 -0.191 0.000 2.670 274 Y HA 0.553 5.151 4.550 0.080 0.000 0.334 274 Y C -2.278 173.407 175.900 -0.357 0.000 1.185 274 Y CA -2.018 56.008 58.100 -0.123 0.000 1.053 274 Y CB 0.960 39.425 38.460 0.009 0.000 1.298 274 Y HN 0.401 nan 8.280 nan 0.000 0.459 275 Y N 1.273 121.687 120.300 0.190 0.000 2.353 275 Y HA 0.274 4.874 4.550 0.083 0.000 0.340 275 Y C 0.122 176.119 175.900 0.162 0.000 0.972 275 Y CA -0.701 57.470 58.100 0.119 0.000 1.157 275 Y CB 1.429 40.038 38.460 0.248 0.000 1.157 275 Y HN 0.620 nan 8.280 nan 0.000 0.495 276 E N 4.781 125.052 120.200 0.119 0.000 2.180 276 E HA 0.256 4.655 4.350 0.081 0.000 0.283 276 E C -0.871 175.849 176.600 0.200 0.000 1.061 276 E CA -0.233 56.266 56.400 0.166 0.000 0.861 276 E CB 0.442 30.148 29.700 0.011 0.000 1.056 276 E HN 0.611 nan 8.360 nan 0.000 0.407 277 I N 4.311 124.932 120.570 0.084 0.000 2.365 277 I HA 0.052 4.271 4.170 0.081 0.000 0.291 277 I C 0.509 176.540 176.117 -0.144 0.000 1.004 277 I CA -0.630 60.599 61.300 -0.118 0.000 1.311 277 I CB 0.919 38.835 38.000 -0.140 0.000 1.401 277 I HN 0.482 nan 8.210 nan 0.000 0.491 278 N N 5.141 123.561 118.700 -0.467 0.000 2.421 278 N HA 0.035 4.824 4.740 0.081 0.000 0.260 278 N C 0.448 175.821 175.510 -0.228 0.000 1.173 278 N CA 0.231 52.944 53.050 -0.562 0.000 0.960 278 N CB 0.132 37.900 38.487 -1.199 0.000 1.273 278 N HN 0.436 nan 8.380 nan 0.000 0.497 279 N N 2.047 120.713 118.700 -0.056 0.000 2.453 279 N HA -0.084 4.705 4.740 0.081 0.000 0.183 279 N C 0.597 176.111 175.510 0.008 0.000 1.041 279 N CA 0.942 54.003 53.050 0.020 0.000 0.900 279 N CB 0.186 38.732 38.487 0.098 0.000 0.961 279 N HN 0.661 nan 8.380 nan 0.000 0.443 280 Q N -0.564 119.212 119.800 -0.040 0.000 2.360 280 Q HA 0.128 4.517 4.340 0.081 0.000 0.202 280 Q C -0.023 175.935 176.000 -0.070 0.000 0.915 280 Q CA 0.252 56.022 55.803 -0.056 0.000 0.943 280 Q CB 0.546 29.229 28.738 -0.093 0.000 1.064 280 Q HN 0.143 nan 8.270 nan 0.000 0.511 281 K N 1.006 121.372 120.400 -0.057 0.000 2.323 281 K HA 0.523 4.892 4.320 0.081 0.000 0.259 281 K C -1.025 175.591 176.600 0.026 0.000 0.947 281 K CA -0.518 55.753 56.287 -0.027 0.000 0.819 281 K CB 1.303 33.772 32.500 -0.053 0.000 1.109 281 K HN 0.011 nan 8.250 nan 0.000 0.429 282 A N 4.797 127.595 122.820 -0.038 0.000 2.511 282 A HA 0.196 4.565 4.320 0.081 0.000 0.242 282 A C -1.728 175.742 177.584 -0.190 0.000 1.069 282 A CA -0.858 51.117 52.037 -0.104 0.000 0.763 282 A CB -0.087 18.867 19.000 -0.076 0.000 1.001 282 A HN 0.725 nan 8.150 nan 0.000 0.498 283 P HA 0.151 nan 4.420 nan 0.000 0.261 283 P C 0.168 177.158 177.300 -0.516 0.000 1.352 283 P CA 0.259 63.117 63.100 -0.404 0.000 0.891 283 P CB -0.056 31.453 31.700 -0.319 0.000 1.383 284 F N 1.597 121.463 119.950 -0.141 0.000 2.802 284 F HA -0.007 4.569 4.527 0.082 0.000 0.300 284 F C 1.881 177.610 175.800 -0.119 0.000 1.168 284 F CA 0.254 58.147 58.000 -0.178 0.000 1.433 284 F CB -0.716 38.134 39.000 -0.250 0.000 1.115 284 F HN 0.037 nan 8.300 nan 0.000 0.582 285 N N -0.779 117.921 118.700 0.000 0.000 2.398 285 N HA -0.089 4.700 4.740 0.081 0.000 0.188 285 N C -0.181 175.322 175.510 -0.013 0.000 1.122 285 N CA 0.330 53.380 53.050 -0.001 0.000 0.866 285 N CB -0.377 38.099 38.487 -0.017 0.000 0.970 285 N HN 0.105 nan 8.380 nan 0.000 0.462 286 D N 0.761 121.141 120.400 -0.034 0.000 2.313 286 D HA 0.036 4.724 4.640 0.081 0.000 0.239 286 D C 0.965 177.257 176.300 -0.013 0.000 1.142 286 D CA -0.427 53.557 54.000 -0.027 0.000 0.847 286 D CB 2.033 42.811 40.800 -0.037 0.000 1.082 286 D HN -0.158 nan 8.370 nan 0.000 0.480 287 V N 5.882 125.797 119.914 0.001 0.000 2.469 287 V HA -0.245 3.924 4.120 0.081 0.000 0.251 287 V C 2.144 178.233 176.094 -0.008 0.000 1.064 287 V CA 1.815 64.118 62.300 0.005 0.000 1.066 287 V CB -0.193 31.642 31.823 0.020 0.000 0.667 287 V HN 0.538 nan 8.190 nan 0.000 0.461 288 R N -0.725 119.773 120.500 -0.004 0.000 2.081 288 R HA -0.118 4.270 4.340 0.081 0.000 0.235 288 R C 2.163 178.448 176.300 -0.025 0.000 1.131 288 R CA 1.674 57.772 56.100 -0.003 0.000 0.960 288 R CB -0.629 29.680 30.300 0.015 0.000 0.856 288 R HN 0.496 nan 8.270 nan 0.000 0.436 289 V N 1.215 121.107 119.914 -0.038 0.000 2.307 289 V HA -0.235 3.934 4.120 0.081 0.000 0.245 289 V C 2.321 178.350 176.094 -0.109 0.000 1.045 289 V CA 1.745 63.984 62.300 -0.102 0.000 1.024 289 V CB -0.495 31.231 31.823 -0.161 0.000 0.651 289 V HN 0.310 nan 8.190 nan 0.000 0.449 290 R N -0.129 120.337 120.500 -0.058 0.000 2.081 290 R HA -0.135 4.254 4.340 0.081 0.000 0.235 290 R C 2.370 178.622 176.300 -0.079 0.000 1.131 290 R CA 1.909 57.978 56.100 -0.051 0.000 0.960 290 R CB -0.898 29.389 30.300 -0.021 0.000 0.856 290 R HN 0.481 nan 8.270 nan 0.000 0.436 291 T N 1.173 115.680 114.554 -0.078 0.000 2.788 291 T HA -0.127 4.272 4.350 0.081 0.000 0.268 291 T C 2.004 176.634 174.700 -0.117 0.000 1.044 291 T CA 1.377 63.412 62.100 -0.109 0.000 1.139 291 T CB -0.234 68.590 68.868 -0.074 0.000 0.867 291 T HN 0.392 nan 8.240 nan 0.000 0.454 292 A N 1.427 124.191 122.820 -0.093 0.000 1.883 292 A HA -0.027 4.342 4.320 0.081 0.000 0.217 292 A C 2.316 179.831 177.584 -0.115 0.000 1.186 292 A CA 1.294 53.276 52.037 -0.091 0.000 0.624 292 A CB -0.922 18.011 19.000 -0.111 0.000 0.822 292 A HN 0.472 nan 8.150 nan 0.000 0.444 293 L N -0.676 120.429 121.223 -0.198 0.000 2.046 293 L HA -0.227 4.162 4.340 0.081 0.000 0.208 293 L C 2.680 179.646 176.870 0.159 0.000 1.077 293 L CA 2.026 56.712 54.840 -0.257 0.000 0.747 293 L CB -0.473 41.331 42.059 -0.426 0.000 0.896 293 L HN 0.506 nan 8.230 nan 0.000 0.432 294 K N 0.661 121.081 120.400 0.033 0.000 2.002 294 K HA -0.189 4.180 4.320 0.081 0.000 0.209 294 K C 2.154 178.689 176.600 -0.110 0.000 1.048 294 K CA 1.421 57.696 56.287 -0.019 0.000 0.930 294 K CB -0.087 32.291 32.500 -0.204 0.000 0.714 294 K HN 0.221 nan 8.250 nan 0.000 0.438 295 L N 0.271 121.377 121.223 -0.194 0.000 2.056 295 L HA -0.103 4.285 4.340 0.081 0.000 0.207 295 L C 2.554 179.473 176.870 0.081 0.000 1.078 295 L CA 1.150 55.903 54.840 -0.147 0.000 0.749 295 L CB -0.474 41.533 42.059 -0.088 0.000 0.901 295 L HN 0.296 nan 8.230 nan 0.000 0.433 296 A N -0.275 122.642 122.820 0.161 0.000 2.168 296 A HA -0.025 4.344 4.320 0.081 0.000 0.215 296 A C 1.217 178.982 177.584 0.303 0.000 1.152 296 A CA 0.130 52.312 52.037 0.243 0.000 0.716 296 A CB -0.419 18.727 19.000 0.243 0.000 0.794 296 A HN 0.320 nan 8.150 nan 0.000 0.465 297 L N 0.573 121.997 121.223 0.334 0.000 2.410 297 L HA 0.158 4.547 4.340 0.081 0.000 0.273 297 L C -0.635 176.297 176.870 0.103 0.000 1.152 297 L CA -0.380 54.528 54.840 0.112 0.000 0.855 297 L CB 0.557 42.672 42.059 0.093 0.000 1.129 297 L HN 0.096 nan 8.230 nan 0.000 0.463 298 D N 4.623 125.048 120.400 0.041 0.000 2.456 298 D HA 0.154 4.843 4.640 0.081 0.000 0.219 298 D C 1.008 177.343 176.300 0.059 0.000 1.126 298 D CA -0.198 53.840 54.000 0.063 0.000 0.890 298 D CB 0.878 41.700 40.800 0.035 0.000 1.025 298 D HN 0.564 nan 8.370 nan 0.000 0.511 299 R N 2.159 122.728 120.500 0.115 0.000 2.115 299 R HA -0.115 4.273 4.340 0.081 0.000 0.230 299 R C 1.383 177.728 176.300 0.075 0.000 1.111 299 R CA 1.046 57.221 56.100 0.127 0.000 0.976 299 R CB 0.063 30.498 30.300 0.226 0.000 0.870 299 R HN 0.353 nan 8.270 nan 0.000 0.445 300 D N 0.807 121.237 120.400 0.050 0.000 2.104 300 D HA -0.128 4.560 4.640 0.081 0.000 0.194 300 D C 1.706 178.007 176.300 0.001 0.000 0.994 300 D CA 1.193 55.204 54.000 0.019 0.000 0.830 300 D CB 0.036 40.839 40.800 0.006 0.000 0.959 300 D HN 0.120 nan 8.370 nan 0.000 0.452 301 I N -0.172 120.398 120.570 -0.000 0.000 2.127 301 I HA -0.261 3.958 4.170 0.081 0.000 0.241 301 I C 2.224 178.320 176.117 -0.035 0.000 1.075 301 I CA 0.750 62.038 61.300 -0.019 0.000 1.334 301 I CB -0.268 37.720 38.000 -0.020 0.000 1.040 301 I HN 0.083 nan 8.210 nan 0.000 0.405 302 I N -0.024 120.528 120.570 -0.029 0.000 2.142 302 I HA -0.253 3.966 4.170 0.081 0.000 0.240 302 I C 2.436 178.504 176.117 -0.081 0.000 1.078 302 I CA 1.413 62.686 61.300 -0.045 0.000 1.343 302 I CB -0.426 37.569 38.000 -0.007 0.000 1.046 302 I HN -0.039 nan 8.210 nan 0.000 0.405 303 V N 0.664 120.541 119.914 -0.063 0.000 2.307 303 V HA -0.256 3.913 4.120 0.081 0.000 0.245 303 V C 1.800 177.815 176.094 -0.131 0.000 1.045 303 V CA 2.448 64.663 62.300 -0.143 0.000 1.024 303 V CB -0.914 30.861 31.823 -0.079 0.000 0.651 303 V HN 0.482 nan 8.190 nan 0.000 0.449 304 N N -0.663 117.994 118.700 -0.071 0.000 2.402 304 N HA -0.016 4.773 4.740 0.081 0.000 0.174 304 N C 1.689 177.167 175.510 -0.053 0.000 1.027 304 N CA 0.428 53.444 53.050 -0.057 0.000 0.891 304 N CB 0.128 38.597 38.487 -0.029 0.000 1.016 304 N HN 0.397 nan 8.380 nan 0.000 0.439 305 K N 0.614 120.983 120.400 -0.052 0.000 2.190 305 K HA 0.093 4.462 4.320 0.081 0.000 0.202 305 K C 2.198 178.763 176.600 -0.058 0.000 1.045 305 K CA 0.656 56.916 56.287 -0.045 0.000 0.976 305 K CB -0.587 31.892 32.500 -0.034 0.000 0.849 305 K HN 0.081 nan 8.250 nan 0.000 0.468 306 V N 1.185 121.055 119.914 -0.073 0.000 2.331 306 V HA -0.040 4.129 4.120 0.081 0.000 0.242 306 V C 2.312 178.340 176.094 -0.110 0.000 1.034 306 V CA 1.588 63.839 62.300 -0.082 0.000 1.027 306 V CB -0.076 31.699 31.823 -0.080 0.000 0.667 306 V HN 0.187 nan 8.190 nan 0.000 0.457 307 K N 0.557 120.862 120.400 -0.158 0.000 2.005 307 K HA -0.033 4.336 4.320 0.081 0.000 0.206 307 K C 1.120 177.595 176.600 -0.208 0.000 1.044 307 K CA 1.125 57.278 56.287 -0.223 0.000 0.942 307 K CB -0.249 32.041 32.500 -0.351 0.000 0.727 307 K HN 0.694 nan 8.250 nan 0.000 0.439 308 N N 0.785 119.367 118.700 -0.196 0.000 2.688 308 N HA -0.217 4.572 4.740 0.081 0.000 0.258 308 N C -0.665 174.766 175.510 -0.133 0.000 1.016 308 N CA 0.327 53.298 53.050 -0.131 0.000 0.747 308 N CB -0.467 37.988 38.487 -0.053 0.000 0.895 308 N HN 0.467 nan 8.380 nan 0.000 0.543 309 Q N -0.543 119.091 119.800 -0.277 0.000 2.149 309 Q HA 0.231 4.620 4.340 0.081 0.000 0.221 309 Q C 1.283 177.157 176.000 -0.211 0.000 0.807 309 Q CA 0.442 56.007 55.803 -0.396 0.000 1.000 309 Q CB 1.034 29.251 28.738 -0.869 0.000 1.157 309 Q HN 0.632 nan 8.270 nan 0.000 0.487 310 G N 0.847 109.554 108.800 -0.155 0.000 2.184 310 G HA2 -0.167 3.842 3.960 0.081 0.000 0.206 310 G HA3 -0.167 3.842 3.960 0.081 0.000 0.206 310 G C -0.177 174.661 174.900 -0.104 0.000 0.995 310 G CA -0.319 44.731 45.100 -0.085 0.000 0.651 310 G HN 0.281 nan 8.290 nan 0.000 0.511 311 D N 0.382 120.650 120.400 -0.219 0.000 2.362 311 D HA 0.406 5.095 4.640 0.081 0.000 0.238 311 D C 0.175 176.435 176.300 -0.067 0.000 1.212 311 D CA 0.291 54.169 54.000 -0.204 0.000 0.902 311 D CB 1.154 41.541 40.800 -0.688 0.000 1.180 311 D HN 0.069 nan 8.370 nan 0.000 0.445 312 L N 1.673 122.954 121.223 0.097 0.000 2.329 312 L HA 0.338 4.727 4.340 0.081 0.000 0.279 312 L C -2.288 174.679 176.870 0.161 0.000 1.014 312 L CA -2.148 52.798 54.840 0.176 0.000 0.814 312 L CB 0.963 43.207 42.059 0.308 0.000 1.257 312 L HN 0.040 nan 8.230 nan 0.000 0.424 313 P HA 0.175 nan 4.420 nan 0.000 0.264 313 P C -1.012 176.328 177.300 0.067 0.000 1.183 313 P CA 0.012 63.244 63.100 0.220 0.000 0.763 313 P CB 0.602 32.522 31.700 0.367 0.000 0.807 314 A N 3.344 126.058 122.820 -0.176 0.000 2.337 314 A HA 0.567 4.935 4.320 0.081 0.000 0.329 314 A C -0.527 176.914 177.584 -0.239 0.000 1.146 314 A CA -0.387 51.227 52.037 -0.706 0.000 0.800 314 A CB 0.427 18.782 19.000 -1.075 0.000 1.220 314 A HN 0.697 nan 8.150 nan 0.000 0.472 315 Y N 0.190 120.317 120.300 -0.288 0.000 2.626 315 Y HA 0.493 5.092 4.550 0.082 0.000 0.248 315 Y C 0.234 176.108 175.900 -0.043 0.000 1.147 315 Y CA -0.259 57.664 58.100 -0.293 0.000 1.219 315 Y CB -0.468 37.306 38.460 -1.143 0.000 1.279 315 Y HN 0.658 nan 8.280 nan 0.000 0.541 316 S N -1.846 113.714 115.700 -0.233 0.000 2.720 316 S HA 0.362 4.881 4.470 0.081 0.000 0.287 316 S C -0.350 174.261 174.600 0.018 0.000 1.168 316 S CA -0.504 57.653 58.200 -0.071 0.000 0.832 316 S CB 1.396 64.476 63.200 -0.199 0.000 1.166 316 S HN 0.114 nan 8.310 nan 0.000 0.493 317 Y N 1.805 122.006 120.300 -0.164 0.000 2.239 317 Y HA 0.310 4.910 4.550 0.084 0.000 0.293 317 Y C 1.121 176.815 175.900 -0.343 0.000 1.126 317 Y CA 1.119 59.096 58.100 -0.206 0.000 1.128 317 Y CB -0.837 37.488 38.460 -0.226 0.000 1.066 317 Y HN 0.717 nan 8.280 nan 0.000 0.516 318 T N 5.334 119.557 114.554 -0.550 0.000 2.902 318 T HA 0.129 4.528 4.350 0.081 0.000 0.301 318 T C -2.589 171.530 174.700 -0.968 0.000 1.012 318 T CA -0.836 60.605 62.100 -1.098 0.000 1.151 318 T CB 0.659 69.147 68.868 -0.634 0.000 0.946 318 T HN 0.098 nan 8.240 nan 0.000 0.542 319 P HA 0.136 nan 4.420 nan 0.000 0.268 319 P C -1.753 174.881 177.300 -1.110 0.000 1.204 319 P CA -1.550 60.764 63.100 -1.310 0.000 0.768 319 P CB 0.203 31.049 31.700 -1.425 0.000 0.842 320 P HA -0.121 nan 4.420 nan 0.000 0.226 320 P C 0.490 177.628 177.300 -0.271 0.000 1.153 320 P CA 1.429 64.247 63.100 -0.469 0.000 0.777 320 P CB -0.367 31.172 31.700 -0.268 0.000 0.794 321 Y N -2.519 117.596 120.300 -0.309 0.000 2.493 321 Y HA 0.413 5.011 4.550 0.079 0.000 0.275 321 Y C 0.447 176.249 175.900 -0.164 0.000 1.183 321 Y CA -0.887 57.102 58.100 -0.185 0.000 1.258 321 Y CB -1.395 36.980 38.460 -0.142 0.000 1.108 321 Y HN -0.336 nan 8.280 nan 0.000 0.521 322 T N 2.226 116.530 114.554 -0.417 0.000 2.930 322 T HA -0.091 4.308 4.350 0.081 0.000 0.306 322 T C -0.144 174.465 174.700 -0.152 0.000 1.045 322 T CA -0.131 61.782 62.100 -0.311 0.000 1.134 322 T CB 0.304 68.915 68.868 -0.429 0.000 0.961 322 T HN 0.301 nan 8.240 nan 0.000 0.545 323 D N 1.296 121.645 120.400 -0.085 0.000 2.389 323 D HA 0.224 4.913 4.640 0.081 0.000 0.263 323 D C 1.248 177.522 176.300 -0.044 0.000 1.255 323 D CA 1.304 55.287 54.000 -0.029 0.000 0.914 323 D CB -0.249 40.556 40.800 0.008 0.000 1.116 323 D HN 0.850 nan 8.370 nan 0.000 0.502 324 G N 2.489 111.283 108.800 -0.010 0.000 2.201 324 G HA2 -0.090 3.919 3.960 0.081 0.000 0.212 324 G HA3 -0.090 3.919 3.960 0.081 0.000 0.212 324 G C 0.299 175.227 174.900 0.047 0.000 0.994 324 G CA 0.111 45.233 45.100 0.036 0.000 0.644 324 G HN 0.896 nan 8.290 nan 0.000 0.508 325 A N 0.429 123.225 122.820 -0.042 0.000 2.320 325 A HA 0.740 5.109 4.320 0.081 0.000 0.287 325 A C 0.359 177.928 177.584 -0.025 0.000 1.181 325 A CA 0.075 52.075 52.037 -0.061 0.000 0.831 325 A CB 0.453 19.336 19.000 -0.195 0.000 1.102 325 A HN 0.333 nan 8.150 nan 0.000 0.513 326 K N 3.691 124.095 120.400 0.006 0.000 2.920 326 K HA 0.318 4.687 4.320 0.081 0.000 0.175 326 K C -1.147 175.460 176.600 0.013 0.000 1.099 326 K CA -0.037 56.255 56.287 0.008 0.000 0.939 326 K CB 0.858 33.367 32.500 0.015 0.000 1.148 326 K HN 0.670 nan 8.250 nan 0.000 0.613 327 L N 1.244 122.473 121.223 0.011 0.000 2.395 327 L HA 0.388 4.777 4.340 0.081 0.000 0.269 327 L C 0.245 177.130 176.870 0.025 0.000 1.133 327 L CA -1.092 53.770 54.840 0.037 0.000 0.812 327 L CB 1.169 43.269 42.059 0.067 0.000 1.125 327 L HN 0.021 nan 8.230 nan 0.000 0.452 328 V N 1.824 121.742 119.914 0.007 0.000 2.383 328 V HA 0.106 4.275 4.120 0.081 0.000 0.275 328 V C 0.329 176.319 176.094 -0.174 0.000 1.036 328 V CA -0.554 61.707 62.300 -0.065 0.000 0.889 328 V CB 1.296 33.093 31.823 -0.042 0.000 0.985 328 V HN 0.733 nan 8.190 nan 0.000 0.459 329 E N 8.251 128.228 120.200 -0.372 0.000 2.265 329 E HA 0.182 4.581 4.350 0.081 0.000 0.272 329 E C -2.119 174.164 176.600 -0.530 0.000 1.067 329 E CA -1.505 54.410 56.400 -0.808 0.000 0.900 329 E CB 0.876 30.061 29.700 -0.859 0.000 1.017 329 E HN 0.473 nan 8.360 nan 0.000 0.431 330 P HA -0.041 nan 4.420 nan 0.000 0.269 330 P C 0.221 177.211 177.300 -0.516 0.000 1.209 330 P CA -0.028 62.796 63.100 -0.460 0.000 0.776 330 P CB 0.924 32.312 31.700 -0.521 0.000 0.876 331 E N 2.083 122.091 120.200 -0.320 0.000 2.118 331 E HA -0.159 4.240 4.350 0.081 0.000 0.195 331 E C 1.944 178.163 176.600 -0.634 0.000 0.992 331 E CA 1.383 57.617 56.400 -0.277 0.000 0.804 331 E CB -0.525 29.156 29.700 -0.031 0.000 0.741 331 E HN 0.725 nan 8.360 nan 0.000 0.458 332 W N 0.066 120.820 121.300 -0.910 0.000 2.331 332 W HA -0.209 4.500 4.660 0.082 0.000 0.291 332 W C 1.723 177.914 176.519 -0.548 0.000 1.214 332 W CA 0.439 56.952 57.345 -1.386 0.000 1.228 332 W CB -1.218 27.671 29.460 -0.952 0.000 1.135 332 W HN -0.038 nan 8.180 nan 0.000 0.537 333 F N 2.924 122.322 119.950 -0.920 0.000 2.365 333 F HA -0.047 4.529 4.527 0.082 0.000 0.300 333 F C 2.104 177.764 175.800 -0.234 0.000 1.090 333 F CA 1.739 59.348 58.000 -0.650 0.000 1.408 333 F CB -0.189 38.240 39.000 -0.953 0.000 1.060 333 F HN -0.202 nan 8.300 nan 0.000 0.534 334 K N -1.152 119.129 120.400 -0.200 0.000 2.393 334 K HA -0.025 4.344 4.320 0.081 0.000 0.193 334 K C 0.158 176.832 176.600 0.123 0.000 1.026 334 K CA -0.215 56.026 56.287 -0.077 0.000 1.064 334 K CB -0.061 32.434 32.500 -0.009 0.000 0.833 334 K HN 0.047 nan 8.250 nan 0.000 0.521 335 W N 2.634 123.947 121.300 0.023 0.000 1.975 335 W HA 0.057 4.766 4.660 0.082 0.000 0.359 335 W C 1.200 177.732 176.519 0.022 0.000 1.363 335 W CA -1.323 56.052 57.345 0.051 0.000 1.376 335 W CB -0.278 29.252 29.460 0.117 0.000 1.231 335 W HN -0.067 nan 8.180 nan 0.000 0.641 336 S N 0.068 115.930 115.700 0.269 0.000 2.632 336 S HA 0.065 4.584 4.470 0.081 0.000 0.267 336 S C 0.756 175.465 174.600 0.182 0.000 1.276 336 S CA -0.407 57.881 58.200 0.147 0.000 0.998 336 S CB 1.261 64.510 63.200 0.081 0.000 0.953 336 S HN 0.405 nan 8.310 nan 0.000 0.547 337 Q N 0.324 120.199 119.800 0.125 0.000 2.167 337 Q HA -0.117 4.272 4.340 0.081 0.000 0.202 337 Q C 2.203 178.280 176.000 0.128 0.000 0.970 337 Q CA 1.800 57.686 55.803 0.137 0.000 0.855 337 Q CB -0.521 28.274 28.738 0.095 0.000 0.911 337 Q HN 0.879 nan 8.270 nan 0.000 0.438 338 Q N -0.033 119.821 119.800 0.090 0.000 2.061 338 Q HA -0.248 4.141 4.340 0.081 0.000 0.204 338 Q C 1.937 177.974 176.000 0.062 0.000 0.984 338 Q CA 1.961 57.802 55.803 0.063 0.000 0.846 338 Q CB -0.132 28.626 28.738 0.034 0.000 0.902 338 Q HN 0.355 nan 8.270 nan 0.000 0.421 339 K N -0.007 120.429 120.400 0.060 0.000 2.057 339 K HA -0.162 4.207 4.320 0.081 0.000 0.207 339 K C 2.100 178.783 176.600 0.139 0.000 1.049 339 K CA 1.119 57.402 56.287 -0.007 0.000 0.931 339 K CB 0.010 32.422 32.500 -0.147 0.000 0.714 339 K HN 0.112 nan 8.250 nan 0.000 0.440 340 R N 0.346 121.043 120.500 0.328 0.000 2.073 340 R HA -0.086 4.303 4.340 0.081 0.000 0.234 340 R C 2.098 178.527 176.300 0.216 0.000 1.134 340 R CA 1.668 58.004 56.100 0.393 0.000 0.952 340 R CB -0.346 30.162 30.300 0.347 0.000 0.850 340 R HN 0.295 nan 8.270 nan 0.000 0.433 341 N N 0.885 119.676 118.700 0.152 0.000 2.084 341 N HA -0.170 4.619 4.740 0.081 0.000 0.190 341 N C 1.560 177.118 175.510 0.080 0.000 1.030 341 N CA 1.416 54.531 53.050 0.108 0.000 0.849 341 N CB -0.230 38.310 38.487 0.088 0.000 1.012 341 N HN 0.369 nan 8.380 nan 0.000 0.423 342 E N 0.439 120.676 120.200 0.060 0.000 2.051 342 E HA -0.204 4.195 4.350 0.081 0.000 0.192 342 E C 1.768 178.392 176.600 0.040 0.000 0.991 342 E CA 1.051 57.470 56.400 0.031 0.000 0.799 342 E CB -0.057 29.639 29.700 -0.006 0.000 0.748 342 E HN 0.318 nan 8.360 nan 0.000 0.449 343 E N 1.108 121.349 120.200 0.069 0.000 2.077 343 E HA -0.189 4.209 4.350 0.081 0.000 0.193 343 E C 1.856 178.510 176.600 0.089 0.000 0.989 343 E CA 1.452 57.914 56.400 0.102 0.000 0.800 343 E CB -0.256 29.587 29.700 0.239 0.000 0.746 343 E HN 0.242 nan 8.360 nan 0.000 0.452 344 A N 0.866 123.739 122.820 0.087 0.000 1.865 344 A HA -0.245 4.124 4.320 0.081 0.000 0.217 344 A C 2.133 179.733 177.584 0.028 0.000 1.191 344 A CA 2.068 54.133 52.037 0.045 0.000 0.623 344 A CB -0.558 18.472 19.000 0.049 0.000 0.826 344 A HN 0.246 nan 8.150 nan 0.000 0.444 345 K N -0.348 120.074 120.400 0.035 0.000 2.063 345 K HA -0.186 4.182 4.320 0.081 0.000 0.208 345 K C 2.253 178.872 176.600 0.033 0.000 1.048 345 K CA 1.650 57.955 56.287 0.029 0.000 0.928 345 K CB -0.167 32.351 32.500 0.031 0.000 0.713 345 K HN 0.584 nan 8.250 nan 0.000 0.442 346 K N 1.512 121.932 120.400 0.033 0.000 2.026 346 K HA -0.153 4.216 4.320 0.081 0.000 0.208 346 K C 2.041 178.662 176.600 0.036 0.000 1.048 346 K CA 1.206 57.512 56.287 0.031 0.000 0.929 346 K CB -0.118 32.398 32.500 0.027 0.000 0.713 346 K HN 0.058 nan 8.250 nan 0.000 0.439 347 L N 1.088 122.333 121.223 0.038 0.000 2.046 347 L HA -0.181 4.208 4.340 0.081 0.000 0.208 347 L C 2.521 179.422 176.870 0.052 0.000 1.077 347 L CA 0.969 55.831 54.840 0.037 0.000 0.747 347 L CB -0.332 41.743 42.059 0.026 0.000 0.896 347 L HN 0.251 nan 8.230 nan 0.000 0.432 348 L N -0.722 120.534 121.223 0.055 0.000 2.093 348 L HA -0.162 4.227 4.340 0.081 0.000 0.208 348 L C 2.862 179.836 176.870 0.174 0.000 1.085 348 L CA 1.010 55.924 54.840 0.123 0.000 0.755 348 L CB -0.662 41.420 42.059 0.038 0.000 0.904 348 L HN 0.260 nan 8.230 nan 0.000 0.435 349 A N 0.197 123.073 122.820 0.094 0.000 1.877 349 A HA -0.236 4.133 4.320 0.081 0.000 0.216 349 A C 2.096 179.703 177.584 0.038 0.000 1.186 349 A CA 1.688 53.765 52.037 0.066 0.000 0.620 349 A CB -0.460 18.565 19.000 0.041 0.000 0.822 349 A HN 0.434 nan 8.150 nan 0.000 0.443 350 E N -0.280 119.940 120.200 0.033 0.000 2.118 350 E HA -0.128 4.271 4.350 0.081 0.000 0.195 350 E C 2.058 178.657 176.600 -0.001 0.000 0.992 350 E CA 0.970 57.377 56.400 0.013 0.000 0.804 350 E CB -0.288 29.422 29.700 0.016 0.000 0.741 350 E HN 0.619 nan 8.360 nan 0.000 0.458 351 A N 0.078 122.917 122.820 0.032 0.000 2.216 351 A HA 0.122 4.491 4.320 0.081 0.000 0.214 351 A C 1.750 179.229 177.584 -0.175 0.000 1.160 351 A CA 1.080 53.121 52.037 0.007 0.000 0.725 351 A CB -0.329 18.773 19.000 0.171 0.000 0.784 351 A HN 0.382 nan 8.150 nan 0.000 0.472 352 G N -2.706 105.984 108.800 -0.183 0.000 2.163 352 G HA2 -0.187 3.821 3.960 0.081 0.000 0.213 352 G HA3 -0.187 3.821 3.960 0.081 0.000 0.213 352 G C -0.077 174.564 174.900 -0.432 0.000 0.991 352 G CA -0.130 44.776 45.100 -0.324 0.000 0.653 352 G HN 0.315 nan 8.290 nan 0.000 0.518 353 F N 1.840 121.765 119.950 -0.043 0.000 2.385 353 F HA 0.674 5.250 4.527 0.082 0.000 0.336 353 F C 1.067 176.852 175.800 -0.026 0.000 1.100 353 F CA 0.476 58.454 58.000 -0.038 0.000 1.116 353 F CB 1.925 40.899 39.000 -0.043 0.000 1.166 353 F HN 0.236 nan 8.300 nan 0.000 0.511 354 T N -1.139 113.509 114.554 0.156 0.000 2.804 354 T HA 0.643 5.041 4.350 0.081 0.000 0.290 354 T C 0.739 175.486 174.700 0.079 0.000 1.099 354 T CA -0.320 61.830 62.100 0.084 0.000 1.011 354 T CB 1.342 70.231 68.868 0.035 0.000 1.291 354 T HN 0.545 nan 8.240 nan 0.000 0.523 355 A N 0.251 123.100 122.820 0.049 0.000 1.940 355 A HA -0.045 4.324 4.320 0.081 0.000 0.219 355 A C 1.888 179.495 177.584 0.037 0.000 1.176 355 A CA 2.412 54.472 52.037 0.038 0.000 0.631 355 A CB -1.385 17.631 19.000 0.026 0.000 0.814 355 A HN 0.994 nan 8.150 nan 0.000 0.446 356 D N -0.996 119.423 120.400 0.032 0.000 2.234 356 D HA -0.044 4.645 4.640 0.081 0.000 0.205 356 D C 0.452 176.773 176.300 0.035 0.000 0.962 356 D CA 0.852 54.868 54.000 0.026 0.000 0.855 356 D CB 0.089 40.897 40.800 0.014 0.000 0.951 356 D HN 0.215 nan 8.370 nan 0.000 0.500 357 K N 1.382 121.814 120.400 0.054 0.000 2.954 357 K HA 0.283 4.651 4.320 0.081 0.000 0.171 357 K C -2.613 174.097 176.600 0.185 0.000 1.079 357 K CA -1.531 54.801 56.287 0.076 0.000 0.908 357 K CB 1.664 34.178 32.500 0.023 0.000 1.142 357 K HN 0.233 nan 8.250 nan 0.000 0.613 358 P HA 0.133 nan 4.420 nan 0.000 0.277 358 P C -0.311 177.082 177.300 0.156 0.000 1.271 358 P CA -0.832 62.362 63.100 0.157 0.000 0.795 358 P CB 0.807 32.538 31.700 0.053 0.000 1.101 359 L N 0.593 121.737 121.223 -0.132 0.000 2.265 359 L HA 0.445 4.834 4.340 0.081 0.000 0.288 359 L C -0.665 176.151 176.870 -0.089 0.000 1.058 359 L CA 0.607 55.230 54.840 -0.362 0.000 0.809 359 L CB 0.007 41.537 42.059 -0.882 0.000 1.179 359 L HN 0.284 nan 8.230 nan 0.000 0.429 360 T N 6.619 121.196 114.554 0.038 0.000 2.881 360 T HA 0.752 5.151 4.350 0.081 0.000 0.290 360 T C -0.903 173.906 174.700 0.182 0.000 1.000 360 T CA -0.151 61.953 62.100 0.007 0.000 0.978 360 T CB 0.970 69.842 68.868 0.007 0.000 0.997 360 T HN 0.500 nan 8.240 nan 0.000 0.443 361 F N -0.699 119.297 119.950 0.075 0.000 2.779 361 F HA 0.690 5.266 4.527 0.081 0.000 0.316 361 F C -1.343 174.536 175.800 0.132 0.000 1.164 361 F CA -1.398 56.691 58.000 0.149 0.000 0.924 361 F CB 0.686 39.883 39.000 0.329 0.000 1.348 361 F HN 0.226 nan 8.300 nan 0.000 0.467 362 D N 1.556 122.192 120.400 0.393 0.000 2.264 362 D HA 0.433 5.121 4.640 0.081 0.000 0.249 362 D C -1.143 175.376 176.300 0.365 0.000 1.070 362 D CA -0.025 54.136 54.000 0.268 0.000 0.912 362 D CB 2.289 43.228 40.800 0.232 0.000 1.193 362 D HN 0.512 nan 8.370 nan 0.000 0.427 363 L N 2.781 124.170 121.223 0.277 0.000 2.345 363 L HA 0.313 4.702 4.340 0.081 0.000 0.274 363 L C -1.426 175.654 176.870 0.351 0.000 0.999 363 L CA -0.804 54.242 54.840 0.344 0.000 0.849 363 L CB 1.159 43.386 42.059 0.280 0.000 1.220 363 L HN 0.213 nan 8.230 nan 0.000 0.422 364 L N 6.513 127.949 121.223 0.353 0.000 2.312 364 L HA 0.670 5.059 4.340 0.081 0.000 0.281 364 L C -1.093 176.011 176.870 0.390 0.000 1.070 364 L CA -0.042 54.978 54.840 0.300 0.000 0.805 364 L CB 1.025 43.237 42.059 0.254 0.000 1.174 364 L HN 0.623 nan 8.230 nan 0.000 0.434 365 Y N 2.520 122.877 120.300 0.096 0.000 2.597 365 Y HA 0.551 5.150 4.550 0.081 0.000 0.340 365 Y C -0.964 174.618 175.900 -0.530 0.000 1.097 365 Y CA -1.537 56.441 58.100 -0.202 0.000 1.037 365 Y CB 0.757 39.195 38.460 -0.036 0.000 1.305 365 Y HN 0.716 nan 8.280 nan 0.000 0.463 366 N N 0.873 118.983 118.700 -0.984 0.000 2.488 366 N HA 0.089 4.877 4.740 0.081 0.000 0.274 366 N C -0.596 174.870 175.510 -0.073 0.000 1.111 366 N CA -0.244 52.424 53.050 -0.636 0.000 0.974 366 N CB 1.176 39.365 38.487 -0.497 0.000 1.089 366 N HN 0.797 nan 8.380 nan 0.000 0.465 367 T N 1.356 115.853 114.554 -0.095 0.000 2.656 367 T HA 0.059 4.458 4.350 0.081 0.000 0.258 367 T C 0.310 175.097 174.700 0.146 0.000 1.020 367 T CA 0.627 62.752 62.100 0.043 0.000 1.191 367 T CB -0.462 68.407 68.868 0.001 0.000 1.004 367 T HN 0.728 nan 8.240 nan 0.000 0.498 368 S N 1.993 117.833 115.700 0.233 0.000 2.606 368 S HA 0.162 4.681 4.470 0.081 0.000 0.290 368 S C 0.268 174.908 174.600 0.067 0.000 1.103 368 S CA -0.841 57.423 58.200 0.108 0.000 0.870 368 S CB 1.342 64.587 63.200 0.074 0.000 1.077 368 S HN 0.580 nan 8.310 nan 0.000 0.448 369 D N 1.630 122.023 120.400 -0.010 0.000 2.097 369 D HA -0.069 4.620 4.640 0.081 0.000 0.197 369 D C 1.911 178.158 176.300 -0.087 0.000 0.984 369 D CA 1.364 55.346 54.000 -0.030 0.000 0.826 369 D CB 0.040 40.820 40.800 -0.033 0.000 0.973 369 D HN 0.451 nan 8.370 nan 0.000 0.460 370 L N 1.401 122.533 121.223 -0.151 0.000 1.989 370 L HA -0.198 4.191 4.340 0.081 0.000 0.211 370 L C 2.218 178.982 176.870 -0.176 0.000 1.071 370 L CA 1.901 56.621 54.840 -0.201 0.000 0.749 370 L CB -0.818 41.067 42.059 -0.289 0.000 0.890 370 L HN 0.120 nan 8.230 nan 0.000 0.431 371 H N -0.424 118.634 119.070 -0.020 0.000 2.457 371 H HA -0.120 4.485 4.556 0.081 0.000 0.294 371 H C 2.164 177.228 175.328 -0.439 0.000 1.064 371 H CA 1.452 57.454 56.048 -0.077 0.000 1.330 371 H CB -0.170 29.619 29.762 0.045 0.000 1.395 371 H HN 0.471 nan 8.280 nan 0.000 0.541 372 K N 1.687 121.844 120.400 -0.405 0.000 2.025 372 K HA -0.113 4.256 4.320 0.081 0.000 0.207 372 K C 2.003 178.438 176.600 -0.275 0.000 1.049 372 K CA 1.127 57.069 56.287 -0.576 0.000 0.933 372 K CB 0.172 32.571 32.500 -0.168 0.000 0.714 372 K HN 0.083 nan 8.250 nan 0.000 0.438 373 K N 0.614 120.919 120.400 -0.157 0.000 2.063 373 K HA -0.145 4.224 4.320 0.081 0.000 0.208 373 K C 2.193 178.727 176.600 -0.109 0.000 1.048 373 K CA 1.712 57.932 56.287 -0.111 0.000 0.928 373 K CB -0.221 32.225 32.500 -0.091 0.000 0.713 373 K HN 0.181 nan 8.250 nan 0.000 0.442 374 L N 0.399 121.565 121.223 -0.095 0.000 2.046 374 L HA -0.189 4.200 4.340 0.081 0.000 0.208 374 L C 2.607 179.448 176.870 -0.049 0.000 1.077 374 L CA 1.186 55.994 54.840 -0.054 0.000 0.747 374 L CB -0.566 41.492 42.059 -0.000 0.000 0.896 374 L HN 0.212 nan 8.230 nan 0.000 0.432 375 A N 0.142 122.911 122.820 -0.085 0.000 1.933 375 A HA -0.159 4.209 4.320 0.081 0.000 0.218 375 A C 2.220 179.724 177.584 -0.134 0.000 1.175 375 A CA 1.408 53.381 52.037 -0.107 0.000 0.628 375 A CB -0.628 18.261 19.000 -0.184 0.000 0.814 375 A HN 0.351 nan 8.150 nan 0.000 0.444 376 I N -0.273 120.221 120.570 -0.126 0.000 2.179 376 I HA -0.285 3.934 4.170 0.081 0.000 0.242 376 I C 2.985 179.042 176.117 -0.100 0.000 1.088 376 I CA 1.056 62.303 61.300 -0.089 0.000 1.357 376 I CB -0.341 37.617 38.000 -0.071 0.000 1.051 376 I HN 0.361 nan 8.210 nan 0.000 0.409 377 A N 0.341 123.094 122.820 -0.111 0.000 1.902 377 A HA -0.159 4.210 4.320 0.081 0.000 0.217 377 A C 2.427 179.902 177.584 -0.181 0.000 1.181 377 A CA 1.800 53.766 52.037 -0.119 0.000 0.623 377 A CB -0.964 17.972 19.000 -0.106 0.000 0.818 377 A HN 0.247 nan 8.150 nan 0.000 0.443 378 V N -0.242 119.510 119.914 -0.271 0.000 2.358 378 V HA -0.218 3.951 4.120 0.081 0.000 0.246 378 V C 3.044 178.858 176.094 -0.467 0.000 1.047 378 V CA 1.820 63.802 62.300 -0.530 0.000 1.035 378 V CB -1.158 30.179 31.823 -0.809 0.000 0.658 378 V HN 0.624 nan 8.190 nan 0.000 0.452 379 A N -0.600 122.073 122.820 -0.244 0.000 1.902 379 A HA -0.249 4.120 4.320 0.081 0.000 0.217 379 A C 2.573 180.143 177.584 -0.024 0.000 1.181 379 A CA 2.327 54.321 52.037 -0.072 0.000 0.623 379 A CB -0.814 18.154 19.000 -0.052 0.000 0.818 379 A HN 0.496 nan 8.150 nan 0.000 0.443 380 S N -0.599 115.067 115.700 -0.057 0.000 2.383 380 S HA -0.095 4.424 4.470 0.081 0.000 0.227 380 S C 1.907 176.501 174.600 -0.011 0.000 1.026 380 S CA 1.327 59.511 58.200 -0.028 0.000 0.981 380 S CB -0.521 62.655 63.200 -0.041 0.000 0.818 380 S HN 0.471 nan 8.310 nan 0.000 0.472 381 I N -0.047 120.489 120.570 -0.057 0.000 2.202 381 I HA -0.144 4.075 4.170 0.081 0.000 0.242 381 I C 2.172 178.343 176.117 0.090 0.000 1.091 381 I CA 1.043 62.323 61.300 -0.033 0.000 1.368 381 I CB -0.352 37.567 38.000 -0.136 0.000 1.058 381 I HN 0.409 nan 8.210 nan 0.000 0.410 382 W N 1.460 122.740 121.300 -0.034 0.000 2.388 382 W HA -0.169 4.540 4.660 0.082 0.000 0.294 382 W C 2.653 179.150 176.519 -0.037 0.000 1.212 382 W CA 1.014 58.340 57.345 -0.031 0.000 1.271 382 W CB -0.775 28.661 29.460 -0.039 0.000 1.126 382 W HN 0.093 nan 8.180 nan 0.000 0.535 383 K N 1.143 121.646 120.400 0.171 0.000 2.001 383 K HA -0.181 4.188 4.320 0.081 0.000 0.208 383 K C 2.068 178.707 176.600 0.065 0.000 1.048 383 K CA 1.910 58.244 56.287 0.078 0.000 0.932 383 K CB -0.707 31.816 32.500 0.038 0.000 0.715 383 K HN -0.136 nan 8.250 nan 0.000 0.437 384 K N -0.057 120.379 120.400 0.060 0.000 2.009 384 K HA -0.145 4.223 4.320 0.081 0.000 0.210 384 K C 1.549 178.184 176.600 0.060 0.000 1.049 384 K CA 1.899 58.215 56.287 0.048 0.000 0.929 384 K CB -0.202 32.319 32.500 0.036 0.000 0.714 384 K HN 0.165 nan 8.250 nan 0.000 0.440 385 N N 0.271 119.024 118.700 0.088 0.000 2.354 385 N HA -0.085 4.704 4.740 0.081 0.000 0.179 385 N C 1.226 176.790 175.510 0.089 0.000 1.021 385 N CA 0.704 53.811 53.050 0.095 0.000 0.887 385 N CB 0.185 38.751 38.487 0.132 0.000 0.974 385 N HN 0.171 nan 8.380 nan 0.000 0.437 386 L N -1.633 119.645 121.223 0.091 0.000 3.217 386 L HA 0.414 4.803 4.340 0.081 0.000 0.288 386 L C 0.711 177.589 176.870 0.014 0.000 1.202 386 L CA 0.454 55.321 54.840 0.045 0.000 1.027 386 L CB 0.117 42.194 42.059 0.029 0.000 1.427 386 L HN 0.172 nan 8.230 nan 0.000 0.600 387 G N 0.802 109.617 108.800 0.025 0.000 2.198 387 G HA2 -0.216 3.793 3.960 0.081 0.000 0.260 387 G HA3 -0.216 3.793 3.960 0.081 0.000 0.260 387 G C 0.181 175.067 174.900 -0.022 0.000 1.025 387 G CA 0.507 45.611 45.100 0.008 0.000 0.769 387 G HN 0.861 nan 8.290 nan 0.000 0.507 388 V N -2.662 117.232 119.914 -0.034 0.000 2.532 388 V HA 0.807 4.975 4.120 0.081 0.000 0.295 388 V C -0.052 175.986 176.094 -0.094 0.000 1.041 388 V CA -1.719 60.525 62.300 -0.093 0.000 0.926 388 V CB 1.887 33.623 31.823 -0.145 0.000 0.992 388 V HN 0.196 nan 8.190 nan 0.000 0.457 389 N N 2.455 121.063 118.700 -0.153 0.000 2.399 389 N HA 0.704 5.493 4.740 0.081 0.000 0.295 389 N C -1.068 174.253 175.510 -0.315 0.000 1.048 389 N CA -0.319 52.639 53.050 -0.153 0.000 0.886 389 N CB 2.219 40.651 38.487 -0.091 0.000 1.185 389 N HN 0.635 nan 8.380 nan 0.000 0.487 390 V N 1.965 121.730 119.914 -0.249 0.000 2.735 390 V HA 0.360 4.529 4.120 0.081 0.000 0.310 390 V C -0.559 175.465 176.094 -0.117 0.000 1.061 390 V CA -0.910 61.197 62.300 -0.322 0.000 0.913 390 V CB 2.101 33.755 31.823 -0.282 0.000 1.005 390 V HN 0.608 nan 8.190 nan 0.000 0.428 391 N N 3.593 122.256 118.700 -0.060 0.000 2.469 391 N HA 0.530 5.319 4.740 0.081 0.000 0.253 391 N C -0.988 174.568 175.510 0.078 0.000 0.970 391 N CA -0.583 52.478 53.050 0.019 0.000 0.940 391 N CB 1.314 39.823 38.487 0.036 0.000 1.128 391 N HN 0.401 nan 8.380 nan 0.000 0.503 392 L N 2.195 123.479 121.223 0.102 0.000 2.416 392 L HA 0.207 4.596 4.340 0.081 0.000 0.272 392 L C 0.164 177.139 176.870 0.176 0.000 1.161 392 L CA 0.603 55.559 54.840 0.194 0.000 0.845 392 L CB 0.315 42.508 42.059 0.222 0.000 1.119 392 L HN 0.540 nan 8.230 nan 0.000 0.464 393 E N 2.951 123.249 120.200 0.163 0.000 2.290 393 E HA 0.329 4.728 4.350 0.081 0.000 0.274 393 E C -1.225 175.209 176.600 -0.276 0.000 0.889 393 E CA -0.829 55.577 56.400 0.011 0.000 0.760 393 E CB 1.759 31.484 29.700 0.043 0.000 1.206 393 E HN 0.583 nan 8.360 nan 0.000 0.419 394 N N 2.522 120.986 118.700 -0.392 0.000 2.417 394 N HA 0.318 5.107 4.740 0.081 0.000 0.300 394 N C -0.772 174.553 175.510 -0.308 0.000 1.102 394 N CA -0.617 51.997 53.050 -0.727 0.000 0.886 394 N CB 2.209 40.285 38.487 -0.685 0.000 1.203 394 N HN 0.441 nan 8.380 nan 0.000 0.496 395 Q N -0.039 119.605 119.800 -0.260 0.000 2.379 395 Q HA 0.184 4.573 4.340 0.081 0.000 0.278 395 Q C -1.074 174.906 176.000 -0.033 0.000 1.068 395 Q CA -0.754 55.005 55.803 -0.073 0.000 0.816 395 Q CB 2.796 31.558 28.738 0.041 0.000 1.387 395 Q HN 0.688 nan 8.270 nan 0.000 0.413 396 E N 1.746 121.961 120.200 0.026 0.000 2.437 396 E HA -0.147 4.252 4.350 0.081 0.000 0.263 396 E C 0.333 177.043 176.600 0.183 0.000 1.030 396 E CA 0.060 56.511 56.400 0.084 0.000 0.934 396 E CB 0.553 30.300 29.700 0.079 0.000 0.943 396 E HN 0.745 nan 8.360 nan 0.000 0.444 397 W N 5.054 126.361 121.300 0.012 0.000 2.290 397 W HA -0.347 4.362 4.660 0.082 0.000 0.328 397 W C 1.842 178.445 176.519 0.140 0.000 1.272 397 W CA 2.100 59.492 57.345 0.078 0.000 1.262 397 W CB -0.151 29.332 29.460 0.038 0.000 1.151 397 W HN 0.694 nan 8.180 nan 0.000 0.473 398 K N -0.516 119.945 120.400 0.103 0.000 2.063 398 K HA -0.193 4.176 4.320 0.081 0.000 0.208 398 K C 1.952 178.516 176.600 -0.060 0.000 1.048 398 K CA 2.395 58.645 56.287 -0.061 0.000 0.928 398 K CB -0.438 32.092 32.500 0.049 0.000 0.713 398 K HN 0.062 nan 8.250 nan 0.000 0.442 399 T N 0.753 115.319 114.554 0.019 0.000 2.821 399 T HA -0.133 4.266 4.350 0.081 0.000 0.267 399 T C 1.356 176.059 174.700 0.006 0.000 1.046 399 T CA 1.191 63.299 62.100 0.013 0.000 1.139 399 T CB -0.363 68.528 68.868 0.038 0.000 0.871 399 T HN 0.292 nan 8.240 nan 0.000 0.454 400 F N 2.181 122.044 119.950 -0.146 0.000 2.095 400 F HA -0.071 4.505 4.527 0.081 0.000 0.298 400 F C 1.859 177.483 175.800 -0.293 0.000 1.104 400 F CA 1.117 58.998 58.000 -0.198 0.000 1.232 400 F CB -0.605 38.303 39.000 -0.154 0.000 0.987 400 F HN 0.053 nan 8.300 nan 0.000 0.475 401 L N -0.141 120.823 121.223 -0.432 0.000 2.046 401 L HA -0.224 4.165 4.340 0.081 0.000 0.208 401 L C 2.220 178.922 176.870 -0.279 0.000 1.077 401 L CA 1.586 56.106 54.840 -0.532 0.000 0.747 401 L CB -0.978 40.773 42.059 -0.514 0.000 0.896 401 L HN 0.102 nan 8.230 nan 0.000 0.432 402 D N -0.485 119.821 120.400 -0.156 0.000 2.117 402 D HA -0.134 4.555 4.640 0.081 0.000 0.198 402 D C 2.181 178.446 176.300 -0.059 0.000 0.982 402 D CA 1.548 55.520 54.000 -0.048 0.000 0.828 402 D CB -0.230 40.547 40.800 -0.038 0.000 0.967 402 D HN 0.249 nan 8.370 nan 0.000 0.464 403 T N 1.057 115.536 114.554 -0.126 0.000 2.684 403 T HA -0.156 4.243 4.350 0.081 0.000 0.267 403 T C 2.030 176.635 174.700 -0.158 0.000 1.036 403 T CA 1.139 63.176 62.100 -0.105 0.000 1.148 403 T CB -0.075 68.725 68.868 -0.113 0.000 0.863 403 T HN 0.158 nan 8.240 nan 0.000 0.436 404 R N -0.043 120.177 120.500 -0.467 0.000 2.096 404 R HA -0.053 4.336 4.340 0.081 0.000 0.235 404 R C 2.510 178.717 176.300 -0.155 0.000 1.127 404 R CA 1.139 56.865 56.100 -0.624 0.000 0.968 404 R CB -0.323 29.383 30.300 -0.991 0.000 0.861 404 R HN 0.515 nan 8.270 nan 0.000 0.440 405 H N 0.742 119.757 119.070 -0.091 0.000 2.387 405 H HA -0.083 4.521 4.556 0.081 0.000 0.299 405 H C 1.887 177.297 175.328 0.137 0.000 1.090 405 H CA 1.371 57.432 56.048 0.021 0.000 1.332 405 H CB 0.160 29.888 29.762 -0.056 0.000 1.386 405 H HN 0.360 nan 8.280 nan 0.000 0.516 406 Q N -0.413 119.493 119.800 0.176 0.000 2.369 406 Q HA 0.028 4.417 4.340 0.081 0.000 0.206 406 Q C 1.208 177.252 176.000 0.072 0.000 0.963 406 Q CA 0.597 56.469 55.803 0.116 0.000 0.894 406 Q CB 0.425 29.203 28.738 0.066 0.000 0.965 406 Q HN 0.589 nan 8.270 nan 0.000 0.475 407 G N 1.573 110.467 108.800 0.157 0.000 2.198 407 G HA2 -0.270 3.739 3.960 0.081 0.000 0.257 407 G HA3 -0.270 3.739 3.960 0.081 0.000 0.257 407 G C 0.291 175.216 174.900 0.042 0.000 1.042 407 G CA 0.510 45.595 45.100 -0.026 0.000 0.791 407 G HN 0.400 nan 8.290 nan 0.000 0.502 408 T N -1.259 113.416 114.554 0.201 0.000 3.389 408 T HA 0.618 5.017 4.350 0.081 0.000 0.238 408 T C 0.050 174.888 174.700 0.229 0.000 1.178 408 T CA 0.015 62.189 62.100 0.123 0.000 1.117 408 T CB -0.685 68.228 68.868 0.076 0.000 1.177 408 T HN 1.514 nan 8.240 nan 0.000 0.653 409 F N -1.793 118.126 119.950 -0.052 0.000 2.745 409 F HA 0.731 5.307 4.527 0.082 0.000 0.316 409 F C -0.819 174.944 175.800 -0.061 0.000 1.155 409 F CA -1.271 56.708 58.000 -0.036 0.000 0.937 409 F CB 0.801 39.769 39.000 -0.054 0.000 1.361 409 F HN -0.152 nan 8.300 nan 0.000 0.472 410 D N 0.563 120.939 120.400 -0.040 0.000 2.844 410 D HA 0.274 4.963 4.640 0.081 0.000 0.271 410 D C -0.308 175.655 176.300 -0.563 0.000 1.386 410 D CA 1.006 54.789 54.000 -0.362 0.000 1.053 410 D CB 0.559 41.355 40.800 -0.006 0.000 1.107 410 D HN 0.240 nan 8.370 nan 0.000 0.395 411 V N 0.351 120.223 119.914 -0.070 0.000 2.823 411 V HA 0.778 4.947 4.120 0.081 0.000 0.312 411 V C -0.683 175.651 176.094 0.400 0.000 1.072 411 V CA -0.870 61.498 62.300 0.114 0.000 0.937 411 V CB 1.870 33.745 31.823 0.086 0.000 1.013 411 V HN 0.349 nan 8.190 nan 0.000 0.430 412 A N 3.566 126.598 122.820 0.354 0.000 2.475 412 A HA 0.876 5.245 4.320 0.081 0.000 0.301 412 A C -0.401 177.309 177.584 0.209 0.000 1.059 412 A CA -0.944 51.234 52.037 0.234 0.000 0.710 412 A CB 1.518 20.410 19.000 -0.180 0.000 1.288 412 A HN 1.040 nan 8.150 nan 0.000 0.408 413 R N 0.766 121.406 120.500 0.234 0.000 2.774 413 R HA 0.710 5.098 4.340 0.081 0.000 0.269 413 R C -0.052 176.019 176.300 -0.382 0.000 1.068 413 R CA 0.620 56.569 56.100 -0.250 0.000 1.180 413 R CB 0.371 30.520 30.300 -0.251 0.000 1.077 413 R HN 1.722 nan 8.270 nan 0.000 0.513 414 A N 0.079 122.386 122.820 -0.855 0.000 2.605 414 A HA 0.693 5.062 4.320 0.081 0.000 0.294 414 A C -1.046 176.015 177.584 -0.871 0.000 1.062 414 A CA -0.426 51.130 52.037 -0.802 0.000 0.682 414 A CB 1.649 19.994 19.000 -1.093 0.000 1.278 414 A HN 1.029 nan 8.150 nan 0.000 0.410 415 G N 0.116 108.724 108.800 -0.319 0.000 2.662 415 G HA2 0.578 4.587 3.960 0.081 0.000 0.302 415 G HA3 0.578 4.587 3.960 0.081 0.000 0.302 415 G C -1.261 173.781 174.900 0.238 0.000 1.389 415 G CA -0.281 44.833 45.100 0.023 0.000 0.998 415 G HN 0.924 nan 8.290 nan 0.000 0.502 416 W N 2.600 124.004 121.300 0.173 0.000 2.656 416 W HA 0.551 5.262 4.660 0.084 0.000 0.327 416 W C -1.341 175.004 176.519 -0.290 0.000 1.041 416 W CA -0.877 56.422 57.345 -0.077 0.000 1.229 416 W CB 1.989 31.335 29.460 -0.189 0.000 1.397 416 W HN 0.482 nan 8.180 nan 0.000 0.479 417 c N 4.383 122.421 118.600 -0.937 0.000 2.417 417 c HA 0.656 5.275 4.570 0.081 0.000 0.324 417 c C 0.872 174.447 174.090 -0.859 0.000 1.240 417 c CA -0.500 55.388 56.329 -0.736 0.000 1.632 417 c CB 0.580 42.707 42.510 -0.639 0.000 2.241 417 c HN 0.711 nan 8.230 nan 0.000 0.499 418 A N 2.341 124.923 122.820 -0.396 0.000 2.520 418 A HA 0.165 4.534 4.320 0.081 0.000 0.235 418 A C 0.860 178.301 177.584 -0.238 0.000 1.065 418 A CA 0.448 52.318 52.037 -0.279 0.000 0.764 418 A CB 0.213 19.191 19.000 -0.036 0.000 1.002 418 A HN 0.925 nan 8.150 nan 0.000 0.502 419 D N -0.965 119.347 120.400 -0.147 0.000 2.338 419 D HA 0.168 4.857 4.640 0.081 0.000 0.208 419 D C -0.319 176.122 176.300 0.235 0.000 0.997 419 D CA 1.423 55.472 54.000 0.082 0.000 0.880 419 D CB 0.184 41.090 40.800 0.176 0.000 0.980 419 D HN 0.680 nan 8.370 nan 0.000 0.509 420 Y N -1.641 118.697 120.300 0.063 0.000 2.544 420 Y HA 0.452 5.049 4.550 0.079 0.000 0.342 420 Y C -0.617 175.275 175.900 -0.012 0.000 1.062 420 Y CA -1.500 56.614 58.100 0.023 0.000 1.023 420 Y CB 0.528 38.989 38.460 0.003 0.000 1.308 420 Y HN -0.403 nan 8.280 nan 0.000 0.457 421 N N 3.209 121.949 118.700 0.067 0.000 2.739 421 N HA 0.169 4.958 4.740 0.081 0.000 0.266 421 N C -1.104 174.367 175.510 -0.066 0.000 1.168 421 N CA 0.495 53.531 53.050 -0.023 0.000 1.055 421 N CB -0.189 38.313 38.487 0.026 0.000 1.393 421 N HN 0.776 nan 8.380 nan 0.000 0.514 422 E N 2.509 122.587 120.200 -0.203 0.000 2.400 422 E HA 0.206 4.604 4.350 0.081 0.000 0.285 422 E C -2.420 173.924 176.600 -0.427 0.000 1.005 422 E CA -1.369 54.864 56.400 -0.279 0.000 0.816 422 E CB 1.677 31.205 29.700 -0.287 0.000 1.220 422 E HN 0.071 nan 8.360 nan 0.000 0.426 423 P HA -0.150 nan 4.420 nan 0.000 0.217 423 P C 1.221 178.170 177.300 -0.585 0.000 1.148 423 P CA 2.310 65.031 63.100 -0.632 0.000 0.828 423 P CB 0.079 31.200 31.700 -0.964 0.000 0.783 424 T N -4.307 109.880 114.554 -0.612 0.000 2.929 424 T HA -0.126 4.273 4.350 0.081 0.000 0.271 424 T C 1.997 176.496 174.700 -0.336 0.000 1.085 424 T CA 1.379 63.276 62.100 -0.338 0.000 1.125 424 T CB -1.247 67.585 68.868 -0.058 0.000 0.874 424 T HN -0.005 nan 8.240 nan 0.000 0.494 425 S N 0.033 115.375 115.700 -0.597 0.000 2.402 425 S HA -0.050 4.469 4.470 0.081 0.000 0.233 425 S C 1.374 175.809 174.600 -0.275 0.000 1.030 425 S CA 0.972 58.762 58.200 -0.683 0.000 1.003 425 S CB -0.578 61.998 63.200 -1.040 0.000 0.813 425 S HN 0.570 nan 8.310 nan 0.000 0.477 426 F N 0.944 120.666 119.950 -0.380 0.000 2.164 426 F HA 0.286 4.861 4.527 0.079 0.000 0.287 426 F C 1.998 177.590 175.800 -0.347 0.000 1.086 426 F CA 0.628 58.337 58.000 -0.486 0.000 1.249 426 F CB -0.581 38.023 39.000 -0.660 0.000 1.059 426 F HN 0.104 nan 8.300 nan 0.000 0.490 427 L N 0.066 121.273 121.223 -0.027 0.000 2.127 427 L HA -0.246 4.143 4.340 0.081 0.000 0.211 427 L C 1.881 178.809 176.870 0.095 0.000 1.089 427 L CA 0.951 55.874 54.840 0.139 0.000 0.757 427 L CB -0.705 41.391 42.059 0.061 0.000 0.899 427 L HN 0.152 nan 8.230 nan 0.000 0.434 428 N N -0.500 118.083 118.700 -0.195 0.000 2.381 428 N HA -0.134 4.654 4.740 0.081 0.000 0.182 428 N C 1.898 177.237 175.510 -0.284 0.000 1.025 428 N CA 1.697 54.538 53.050 -0.348 0.000 0.888 428 N CB -0.378 37.455 38.487 -1.091 0.000 0.965 428 N HN 0.462 nan 8.380 nan 0.000 0.438 429 T N -2.428 111.927 114.554 -0.331 0.000 3.072 429 T HA 0.057 4.456 4.350 0.081 0.000 0.266 429 T C 1.364 175.936 174.700 -0.214 0.000 1.127 429 T CA 0.554 62.461 62.100 -0.322 0.000 1.107 429 T CB 0.010 68.423 68.868 -0.759 0.000 0.910 429 T HN -0.035 nan 8.240 nan 0.000 0.513 430 M N 0.845 120.376 119.600 -0.115 0.000 2.383 430 M HA 0.428 4.957 4.480 0.081 0.000 0.247 430 M C 0.157 176.464 176.300 0.010 0.000 1.117 430 M CA -0.219 54.967 55.300 -0.189 0.000 0.995 430 M CB -0.559 31.695 32.600 -0.576 0.000 1.480 430 M HN 0.289 nan 8.290 nan 0.000 0.485 431 L N 0.089 121.415 121.223 0.173 0.000 2.456 431 L HA 0.060 4.449 4.340 0.081 0.000 0.272 431 L C 1.779 178.700 176.870 0.085 0.000 1.189 431 L CA -0.294 54.681 54.840 0.224 0.000 0.846 431 L CB 0.446 42.627 42.059 0.203 0.000 1.111 431 L HN 0.190 nan 8.230 nan 0.000 0.475 432 S N 1.187 116.918 115.700 0.052 0.000 2.372 432 S HA -0.218 4.301 4.470 0.081 0.000 0.227 432 S C 1.161 175.763 174.600 0.003 0.000 1.044 432 S CA 2.002 60.193 58.200 -0.015 0.000 1.050 432 S CB -0.291 62.897 63.200 -0.020 0.000 0.901 432 S HN 0.933 nan 8.310 nan 0.000 0.447 433 D N 0.661 121.079 120.400 0.031 0.000 2.325 433 D HA 0.144 4.833 4.640 0.081 0.000 0.225 433 D C 0.309 176.630 176.300 0.035 0.000 1.096 433 D CA -0.034 53.983 54.000 0.028 0.000 0.844 433 D CB -0.363 40.457 40.800 0.032 0.000 0.925 433 D HN 0.172 nan 8.370 nan 0.000 0.513 434 S N 0.244 115.973 115.700 0.049 0.000 2.531 434 S HA 0.132 4.650 4.470 0.081 0.000 0.279 434 S C 1.538 176.144 174.600 0.010 0.000 1.305 434 S CA 0.017 58.262 58.200 0.074 0.000 1.058 434 S CB 0.809 64.072 63.200 0.105 0.000 0.899 434 S HN 0.290 nan 8.310 nan 0.000 0.493 435 S N 3.928 119.622 115.700 -0.010 0.000 2.474 435 S HA -0.085 4.433 4.470 0.081 0.000 0.235 435 S C 0.953 175.550 174.600 -0.006 0.000 0.997 435 S CA 1.118 59.298 58.200 -0.033 0.000 0.949 435 S CB -0.626 62.526 63.200 -0.080 0.000 0.766 435 S HN 0.857 nan 8.310 nan 0.000 0.517 436 N N 1.733 120.406 118.700 -0.045 0.000 2.336 436 N HA 0.133 4.922 4.740 0.081 0.000 0.189 436 N C 0.050 175.442 175.510 -0.196 0.000 1.113 436 N CA -0.053 52.936 53.050 -0.103 0.000 0.858 436 N CB -0.061 38.294 38.487 -0.219 0.000 0.970 436 N HN 0.257 nan 8.380 nan 0.000 0.471 437 N N 1.252 119.846 118.700 -0.177 0.000 2.605 437 N HA 0.002 4.791 4.740 0.081 0.000 0.258 437 N C 0.314 175.565 175.510 -0.432 0.000 1.156 437 N CA 0.206 53.099 53.050 -0.262 0.000 1.008 437 N CB 0.240 38.619 38.487 -0.180 0.000 1.354 437 N HN 0.198 nan 8.380 nan 0.000 0.509 438 T N -1.251 113.043 114.554 -0.435 0.000 3.107 438 T HA 0.199 4.598 4.350 0.081 0.000 0.249 438 T C 1.484 176.061 174.700 -0.206 0.000 1.096 438 T CA 0.179 61.975 62.100 -0.506 0.000 1.012 438 T CB 0.268 68.811 68.868 -0.540 0.000 0.977 438 T HN 0.263 nan 8.240 nan 0.000 0.527 439 A N 1.248 123.959 122.820 -0.182 0.000 2.119 439 A HA 0.068 4.437 4.320 0.081 0.000 0.216 439 A C 0.986 178.613 177.584 0.072 0.000 1.152 439 A CA 0.367 52.397 52.037 -0.012 0.000 0.708 439 A CB -0.758 18.169 19.000 -0.121 0.000 0.805 439 A HN 0.730 nan 8.150 nan 0.000 0.460 440 H N -3.231 115.838 119.070 -0.002 0.000 2.839 440 H HA -0.224 4.381 4.556 0.082 0.000 0.298 440 H C -0.513 174.823 175.328 0.013 0.000 1.224 440 H CA 1.119 57.162 56.048 -0.008 0.000 1.144 440 H CB -2.074 27.669 29.762 -0.032 0.000 1.372 440 H HN 0.700 nan 8.280 nan 0.000 0.408 441 Y N 1.590 121.832 120.300 -0.096 0.000 2.313 441 Y HA 0.418 5.017 4.550 0.082 0.000 0.332 441 Y C -0.160 175.673 175.900 -0.111 0.000 1.071 441 Y CA -0.432 57.592 58.100 -0.127 0.000 1.169 441 Y CB 0.897 39.217 38.460 -0.232 0.000 1.192 441 Y HN 0.037 nan 8.280 nan 0.000 0.487 442 K N 5.043 125.112 120.400 -0.552 0.000 2.656 442 K HA 0.308 4.677 4.320 0.081 0.000 0.241 442 K C -1.367 174.894 176.600 -0.565 0.000 0.967 442 K CA -0.559 55.461 56.287 -0.445 0.000 0.946 442 K CB 1.605 33.992 32.500 -0.187 0.000 1.164 442 K HN 0.540 nan 8.250 nan 0.000 0.459 443 S N 3.429 118.765 115.700 -0.607 0.000 2.707 443 S HA 0.362 4.881 4.470 0.081 0.000 0.312 443 S C -2.170 172.388 174.600 -0.070 0.000 1.116 443 S CA -1.768 56.225 58.200 -0.343 0.000 1.078 443 S CB 1.095 64.081 63.200 -0.357 0.000 0.997 443 S HN 0.219 nan 8.310 nan 0.000 0.477 444 P HA -0.039 nan 4.420 nan 0.000 0.216 444 P C 1.358 178.684 177.300 0.044 0.000 1.150 444 P CA 1.295 64.400 63.100 0.009 0.000 0.837 444 P CB 0.155 31.853 31.700 -0.003 0.000 0.786 445 A N -1.283 121.572 122.820 0.060 0.000 1.898 445 A HA -0.179 4.190 4.320 0.081 0.000 0.216 445 A C 2.105 179.758 177.584 0.115 0.000 1.181 445 A CA 1.228 53.311 52.037 0.078 0.000 0.620 445 A CB -1.777 17.274 19.000 0.085 0.000 0.819 445 A HN 0.160 nan 8.150 nan 0.000 0.442 446 F N 1.330 121.304 119.950 0.040 0.000 2.102 446 F HA -0.186 4.389 4.527 0.081 0.000 0.298 446 F C 1.775 177.612 175.800 0.062 0.000 1.105 446 F CA 2.107 60.158 58.000 0.085 0.000 1.239 446 F CB -0.155 38.951 39.000 0.177 0.000 0.991 446 F HN 0.230 nan 8.300 nan 0.000 0.474 447 D N 0.452 120.968 120.400 0.194 0.000 2.123 447 D HA -0.210 4.479 4.640 0.081 0.000 0.196 447 D C 2.094 178.391 176.300 -0.005 0.000 0.992 447 D CA 1.396 55.455 54.000 0.097 0.000 0.833 447 D CB -0.402 40.462 40.800 0.107 0.000 0.954 447 D HN 0.179 nan 8.370 nan 0.000 0.455 448 K N 0.917 121.314 120.400 -0.004 0.000 2.057 448 K HA -0.029 4.340 4.320 0.081 0.000 0.206 448 K C 2.165 178.733 176.600 -0.054 0.000 1.050 448 K CA 0.731 57.008 56.287 -0.016 0.000 0.935 448 K CB -0.628 31.871 32.500 -0.001 0.000 0.715 448 K HN 0.129 nan 8.250 nan 0.000 0.439 449 L N 0.356 121.520 121.223 -0.098 0.000 2.013 449 L HA -0.211 4.178 4.340 0.081 0.000 0.212 449 L C 2.202 178.987 176.870 -0.142 0.000 1.073 449 L CA 0.968 55.730 54.840 -0.130 0.000 0.753 449 L CB -0.526 41.430 42.059 -0.172 0.000 0.890 449 L HN 0.180 nan 8.230 nan 0.000 0.432 450 I N 0.015 120.459 120.570 -0.209 0.000 2.315 450 I HA -0.196 4.023 4.170 0.081 0.000 0.248 450 I C 2.843 178.964 176.117 0.007 0.000 1.117 450 I CA 1.455 62.698 61.300 -0.094 0.000 1.404 450 I CB -1.625 36.286 38.000 -0.148 0.000 1.071 450 I HN 0.169 nan 8.210 nan 0.000 0.419 451 A N 0.772 123.594 122.820 0.002 0.000 1.908 451 A HA -0.220 4.149 4.320 0.081 0.000 0.218 451 A C 1.921 179.505 177.584 -0.000 0.000 1.181 451 A CA 1.946 54.002 52.037 0.031 0.000 0.627 451 A CB -0.633 18.384 19.000 0.029 0.000 0.818 451 A HN 0.348 nan 8.150 nan 0.000 0.445 452 D N -0.387 119.999 120.400 -0.022 0.000 2.264 452 D HA -0.104 4.585 4.640 0.081 0.000 0.208 452 D C 2.203 178.475 176.300 -0.047 0.000 0.966 452 D CA 1.711 55.689 54.000 -0.036 0.000 0.864 452 D CB -0.560 40.213 40.800 -0.044 0.000 0.933 452 D HN 0.667 nan 8.370 nan 0.000 0.499 453 T N -1.479 113.049 114.554 -0.044 0.000 2.881 453 T HA -0.091 4.308 4.350 0.081 0.000 0.270 453 T C 1.831 176.524 174.700 -0.012 0.000 1.068 453 T CA 0.661 62.724 62.100 -0.062 0.000 1.131 453 T CB -0.245 68.608 68.868 -0.025 0.000 0.871 453 T HN 0.169 nan 8.240 nan 0.000 0.479 454 L N -0.963 120.253 121.223 -0.011 0.000 2.667 454 L HA 0.406 4.795 4.340 0.081 0.000 0.232 454 L C 2.101 178.941 176.870 -0.050 0.000 1.138 454 L CA 0.011 54.827 54.840 -0.040 0.000 0.921 454 L CB 0.133 42.114 42.059 -0.131 0.000 1.180 454 L HN 0.107 nan 8.230 nan 0.000 0.487 455 K N -0.130 120.246 120.400 -0.039 0.000 2.356 455 K HA 0.061 4.430 4.320 0.081 0.000 0.195 455 K C 0.435 177.023 176.600 -0.021 0.000 1.037 455 K CA 0.217 56.486 56.287 -0.030 0.000 1.014 455 K CB 0.496 32.980 32.500 -0.027 0.000 0.815 455 K HN 0.144 nan 8.250 nan 0.000 0.507 456 V N -2.244 117.654 119.914 -0.026 0.000 2.716 456 V HA 0.704 4.873 4.120 0.081 0.000 0.304 456 V C 0.073 176.161 176.094 -0.009 0.000 1.053 456 V CA -0.901 61.385 62.300 -0.023 0.000 0.984 456 V CB 1.628 33.426 31.823 -0.042 0.000 1.021 456 V HN -0.059 nan 8.190 nan 0.000 0.467 457 A N 2.104 124.926 122.820 0.004 0.000 2.985 457 A HA 0.535 4.904 4.320 0.081 0.000 0.303 457 A C -0.075 177.520 177.584 0.018 0.000 1.048 457 A CA -0.120 51.930 52.037 0.021 0.000 1.016 457 A CB -0.639 18.390 19.000 0.048 0.000 1.118 457 A HN 0.953 nan 8.150 nan 0.000 0.529 458 D N -0.583 119.817 120.400 -0.000 0.000 2.964 458 D HA 0.206 4.895 4.640 0.081 0.000 0.234 458 D C -0.499 175.791 176.300 -0.017 0.000 1.223 458 D CA -0.288 53.710 54.000 -0.002 0.000 0.889 458 D CB 1.656 42.451 40.800 -0.008 0.000 1.609 458 D HN -0.014 nan 8.370 nan 0.000 0.523 459 D N 1.646 122.046 120.400 -0.000 0.000 2.117 459 D HA -0.108 4.581 4.640 0.081 0.000 0.197 459 D C 1.574 177.855 176.300 -0.033 0.000 0.987 459 D CA 1.475 55.474 54.000 -0.002 0.000 0.829 459 D CB 0.217 41.032 40.800 0.026 0.000 0.961 459 D HN 0.476 nan 8.370 nan 0.000 0.460 460 T N 0.499 115.037 114.554 -0.026 0.000 2.777 460 T HA -0.126 4.272 4.350 0.081 0.000 0.266 460 T C 1.963 176.623 174.700 -0.068 0.000 1.040 460 T CA 0.949 63.029 62.100 -0.035 0.000 1.141 460 T CB -0.175 68.683 68.868 -0.017 0.000 0.868 460 T HN 0.211 nan 8.240 nan 0.000 0.444 461 Q N 0.378 120.135 119.800 -0.072 0.000 2.124 461 Q HA -0.017 4.372 4.340 0.081 0.000 0.202 461 Q C 2.556 178.448 176.000 -0.181 0.000 0.977 461 Q CA 1.082 56.827 55.803 -0.097 0.000 0.850 461 Q CB -0.097 28.597 28.738 -0.073 0.000 0.901 461 Q HN 0.365 nan 8.270 nan 0.000 0.429 462 R N -0.139 120.227 120.500 -0.224 0.000 2.073 462 R HA -0.113 4.276 4.340 0.081 0.000 0.234 462 R C 2.377 178.249 176.300 -0.714 0.000 1.134 462 R CA 1.661 57.479 56.100 -0.471 0.000 0.952 462 R CB -0.056 30.040 30.300 -0.339 0.000 0.850 462 R HN 0.112 nan 8.270 nan 0.000 0.433 463 S N 0.554 116.050 115.700 -0.340 0.000 2.370 463 S HA -0.157 4.362 4.470 0.081 0.000 0.226 463 S C 1.612 176.142 174.600 -0.117 0.000 1.033 463 S CA 1.403 59.517 58.200 -0.143 0.000 1.011 463 S CB -0.165 63.030 63.200 -0.009 0.000 0.852 463 S HN 0.417 nan 8.310 nan 0.000 0.457 464 E N 0.738 120.864 120.200 -0.123 0.000 2.110 464 E HA -0.088 4.311 4.350 0.081 0.000 0.193 464 E C 1.991 178.538 176.600 -0.089 0.000 0.988 464 E CA 0.827 57.181 56.400 -0.076 0.000 0.804 464 E CB -0.250 29.413 29.700 -0.061 0.000 0.745 464 E HN 0.424 nan 8.360 nan 0.000 0.458 465 L N -0.156 120.961 121.223 -0.177 0.000 2.093 465 L HA -0.172 4.217 4.340 0.081 0.000 0.208 465 L C 2.200 179.027 176.870 -0.073 0.000 1.085 465 L CA 1.152 55.896 54.840 -0.160 0.000 0.755 465 L CB -0.429 41.494 42.059 -0.227 0.000 0.904 465 L HN 0.226 nan 8.230 nan 0.000 0.435 466 Y N -0.479 119.787 120.300 -0.056 0.000 2.181 466 Y HA -0.259 4.340 4.550 0.082 0.000 0.288 466 Y C 2.718 178.595 175.900 -0.038 0.000 1.146 466 Y CA 0.330 58.392 58.100 -0.062 0.000 1.164 466 Y CB -0.405 38.014 38.460 -0.068 0.000 0.982 466 Y HN 0.179 nan 8.280 nan 0.000 0.515 467 A N 0.737 123.629 122.820 0.119 0.000 1.908 467 A HA -0.251 4.118 4.320 0.081 0.000 0.218 467 A C 2.045 179.667 177.584 0.064 0.000 1.181 467 A CA 2.076 54.156 52.037 0.071 0.000 0.627 467 A CB -0.546 18.476 19.000 0.037 0.000 0.818 467 A HN 0.406 nan 8.150 nan 0.000 0.445 468 K N -0.355 120.070 120.400 0.042 0.000 2.148 468 K HA 0.068 4.437 4.320 0.081 0.000 0.204 468 K C 2.239 178.881 176.600 0.069 0.000 1.050 468 K CA 0.944 57.257 56.287 0.043 0.000 0.942 468 K CB -0.285 32.222 32.500 0.012 0.000 0.724 468 K HN 0.442 nan 8.250 nan 0.000 0.446 469 A N 1.626 124.477 122.820 0.051 0.000 1.902 469 A HA -0.191 4.178 4.320 0.081 0.000 0.217 469 A C 1.935 179.676 177.584 0.260 0.000 1.181 469 A CA 1.417 53.485 52.037 0.052 0.000 0.623 469 A CB -0.260 18.639 19.000 -0.169 0.000 0.818 469 A HN 0.155 nan 8.150 nan 0.000 0.443 470 E N -0.012 120.304 120.200 0.194 0.000 2.077 470 E HA -0.214 4.185 4.350 0.081 0.000 0.193 470 E C 2.206 178.901 176.600 0.158 0.000 0.989 470 E CA 1.384 57.892 56.400 0.180 0.000 0.800 470 E CB -0.394 29.373 29.700 0.113 0.000 0.746 470 E HN 0.779 nan 8.360 nan 0.000 0.452 471 Q N 0.329 120.208 119.800 0.132 0.000 2.135 471 Q HA -0.238 4.151 4.340 0.081 0.000 0.204 471 Q C 2.221 178.307 176.000 0.143 0.000 0.981 471 Q CA 1.624 57.499 55.803 0.120 0.000 0.856 471 Q CB -0.146 28.644 28.738 0.087 0.000 0.902 471 Q HN 0.110 nan 8.270 nan 0.000 0.425 472 Q N 0.879 120.789 119.800 0.184 0.000 2.084 472 Q HA -0.165 4.223 4.340 0.081 0.000 0.202 472 Q C 1.840 177.962 176.000 0.204 0.000 0.978 472 Q CA 1.165 57.101 55.803 0.221 0.000 0.844 472 Q CB -0.307 28.615 28.738 0.307 0.000 0.898 472 Q HN 0.333 nan 8.270 nan 0.000 0.426 473 L N 0.568 121.900 121.223 0.182 0.000 2.042 473 L HA -0.171 4.218 4.340 0.081 0.000 0.210 473 L C 1.856 178.686 176.870 -0.068 0.000 1.076 473 L CA 2.481 57.268 54.840 -0.089 0.000 0.749 473 L CB -0.737 41.225 42.059 -0.163 0.000 0.893 473 L HN 0.412 nan 8.230 nan 0.000 0.432 474 D N -0.827 119.605 120.400 0.053 0.000 2.097 474 D HA -0.263 4.426 4.640 0.081 0.000 0.197 474 D C 2.256 178.620 176.300 0.107 0.000 0.984 474 D CA 1.461 55.533 54.000 0.120 0.000 0.826 474 D CB -0.132 40.811 40.800 0.238 0.000 0.973 474 D HN 0.262 nan 8.370 nan 0.000 0.460 475 K N -0.052 120.416 120.400 0.114 0.000 2.103 475 K HA -0.172 4.197 4.320 0.081 0.000 0.207 475 K C 0.883 177.527 176.600 0.073 0.000 1.048 475 K CA 1.677 58.025 56.287 0.101 0.000 0.930 475 K CB -0.042 32.524 32.500 0.109 0.000 0.716 475 K HN 0.153 nan 8.250 nan 0.000 0.444 476 D N 0.357 120.800 120.400 0.071 0.000 2.355 476 D HA 0.007 4.695 4.640 0.081 0.000 0.218 476 D C -0.159 176.142 176.300 0.001 0.000 1.004 476 D CA 0.392 54.435 54.000 0.071 0.000 0.880 476 D CB 0.250 41.160 40.800 0.183 0.000 0.911 476 D HN 0.068 nan 8.370 nan 0.000 0.528 477 S N 0.015 115.690 115.700 -0.041 0.000 3.550 477 S HA -0.251 4.268 4.470 0.081 0.000 0.372 477 S C 1.420 175.945 174.600 -0.125 0.000 0.966 477 S CA 0.293 58.447 58.200 -0.077 0.000 1.229 477 S CB -1.222 61.937 63.200 -0.068 0.000 0.917 477 S HN 0.516 nan 8.310 nan 0.000 0.496 478 A N 0.355 123.009 122.820 -0.276 0.000 1.933 478 A HA 0.231 4.600 4.320 0.081 0.000 0.218 478 A C 1.010 178.432 177.584 -0.269 0.000 1.175 478 A CA 1.539 53.324 52.037 -0.419 0.000 0.628 478 A CB -0.430 17.939 19.000 -1.053 0.000 0.814 478 A HN 1.081 nan 8.150 nan 0.000 0.444 479 I N -5.712 114.724 120.570 -0.224 0.000 3.322 479 I HA 0.669 4.888 4.170 0.081 0.000 0.313 479 I C -1.074 175.065 176.117 0.038 0.000 1.129 479 I CA -1.294 59.962 61.300 -0.074 0.000 0.963 479 I CB 2.269 40.167 38.000 -0.169 0.000 1.273 479 I HN -0.251 nan 8.210 nan 0.000 0.473 480 V N 2.366 122.393 119.914 0.188 0.000 2.284 480 V HA 0.402 4.571 4.120 0.081 0.000 0.274 480 V C -2.424 173.849 176.094 0.298 0.000 1.023 480 V CA -1.511 60.942 62.300 0.255 0.000 0.808 480 V CB 0.613 32.680 31.823 0.407 0.000 1.035 480 V HN 0.585 nan 8.190 nan 0.000 0.445 481 P HA 0.182 nan 4.420 nan 0.000 0.267 481 P C 0.468 177.885 177.300 0.195 0.000 1.205 481 P CA 0.374 63.590 63.100 0.193 0.000 0.765 481 P CB 1.558 33.343 31.700 0.142 0.000 0.828 482 V N 2.945 122.926 119.914 0.113 0.000 2.870 482 V HA 0.199 4.368 4.120 0.081 0.000 0.232 482 V C -0.041 176.062 176.094 0.015 0.000 1.161 482 V CA 1.058 63.404 62.300 0.076 0.000 1.204 482 V CB -0.577 31.249 31.823 0.005 0.000 1.003 482 V HN 0.546 nan 8.190 nan 0.000 0.499 483 Y N -2.451 117.796 120.300 -0.089 0.000 2.638 483 Y HA 0.713 5.311 4.550 0.080 0.000 0.335 483 Y C -1.395 174.380 175.900 -0.209 0.000 1.155 483 Y CA -2.511 55.447 58.100 -0.237 0.000 1.046 483 Y CB 0.505 38.867 38.460 -0.163 0.000 1.303 483 Y HN 0.118 nan 8.280 nan 0.000 0.460 484 Y N 1.382 121.926 120.300 0.405 0.000 2.327 484 Y HA 0.392 4.992 4.550 0.082 0.000 0.336 484 Y C -0.413 175.814 175.900 0.546 0.000 1.035 484 Y CA -0.733 57.605 58.100 0.397 0.000 1.165 484 Y CB 0.489 39.157 38.460 0.347 0.000 1.181 484 Y HN 0.510 nan 8.280 nan 0.000 0.494 485 Y N 1.936 122.548 120.300 0.520 0.000 2.379 485 Y HA 0.277 4.876 4.550 0.082 0.000 0.337 485 Y C 0.512 176.618 175.900 0.344 0.000 1.238 485 Y CA -1.044 57.325 58.100 0.448 0.000 1.405 485 Y CB 0.394 39.077 38.460 0.372 0.000 1.310 485 Y HN 0.369 nan 8.280 nan 0.000 0.569 486 V N 0.101 120.246 119.914 0.385 0.000 2.850 486 V HA 0.487 4.655 4.120 0.081 0.000 0.315 486 V C -0.278 176.018 176.094 0.335 0.000 1.064 486 V CA -1.281 61.179 62.300 0.267 0.000 0.979 486 V CB 1.835 33.703 31.823 0.074 0.000 1.039 486 V HN 0.729 nan 8.190 nan 0.000 0.452 487 N N 2.401 121.197 118.700 0.160 0.000 2.558 487 N HA 0.564 5.353 4.740 0.081 0.000 0.233 487 N C -0.411 175.053 175.510 -0.076 0.000 1.038 487 N CA 0.134 53.114 53.050 -0.117 0.000 0.934 487 N CB 0.759 38.943 38.487 -0.506 0.000 1.175 487 N HN 1.158 nan 8.380 nan 0.000 0.512 488 A N 3.944 126.733 122.820 -0.051 0.000 2.303 488 A HA 0.831 5.200 4.320 0.081 0.000 0.320 488 A C -0.184 177.360 177.584 -0.068 0.000 1.192 488 A CA -0.659 51.359 52.037 -0.032 0.000 0.821 488 A CB 0.754 19.707 19.000 -0.078 0.000 1.188 488 A HN 0.802 nan 8.150 nan 0.000 0.492 489 R N 1.317 121.778 120.500 -0.064 0.000 2.747 489 R HA 0.745 5.134 4.340 0.081 0.000 0.272 489 R C -1.856 174.331 176.300 -0.189 0.000 1.032 489 R CA -0.972 55.040 56.100 -0.146 0.000 0.896 489 R CB 0.913 31.088 30.300 -0.208 0.000 1.253 489 R HN 0.415 nan 8.270 nan 0.000 0.461 490 L N 1.113 122.131 121.223 -0.343 0.000 2.325 490 L HA 0.764 5.152 4.340 0.081 0.000 0.278 490 L C -0.830 175.795 176.870 -0.409 0.000 1.023 490 L CA -1.383 53.141 54.840 -0.527 0.000 0.811 490 L CB 2.108 43.466 42.059 -1.169 0.000 1.249 490 L HN 0.345 nan 8.230 nan 0.000 0.431 491 V N 2.707 122.503 119.914 -0.196 0.000 2.612 491 V HA 0.309 4.478 4.120 0.081 0.000 0.301 491 V C -0.140 175.889 176.094 -0.107 0.000 1.059 491 V CA -1.106 61.128 62.300 -0.110 0.000 0.886 491 V CB 1.946 33.662 31.823 -0.179 0.000 1.007 491 V HN 0.606 nan 8.190 nan 0.000 0.426 492 K N 4.852 125.085 120.400 -0.278 0.000 2.380 492 K HA 0.193 4.561 4.320 0.081 0.000 0.267 492 K C -1.646 174.521 176.600 -0.722 0.000 0.990 492 K CA -1.557 54.239 56.287 -0.818 0.000 0.946 492 K CB 0.935 32.381 32.500 -1.758 0.000 0.937 492 K HN 0.290 nan 8.250 nan 0.000 0.491 493 P HA -0.104 nan 4.420 nan 0.000 0.222 493 P C 0.664 177.863 177.300 -0.168 0.000 1.147 493 P CA 1.118 64.041 63.100 -0.295 0.000 0.790 493 P CB -0.061 31.549 31.700 -0.150 0.000 0.780 494 W N -1.771 119.422 121.300 -0.177 0.000 3.256 494 W HA 0.311 5.020 4.660 0.081 0.000 0.269 494 W C -0.431 176.006 176.519 -0.138 0.000 1.310 494 W CA -0.222 57.029 57.345 -0.156 0.000 1.673 494 W CB -1.229 28.014 29.460 -0.361 0.000 1.115 494 W HN -0.388 nan 8.180 nan 0.000 0.686 495 V N 3.090 122.898 119.914 -0.177 0.000 2.389 495 V HA 0.597 4.766 4.120 0.081 0.000 0.264 495 V C 0.890 176.829 176.094 -0.258 0.000 1.049 495 V CA -0.266 61.933 62.300 -0.168 0.000 0.932 495 V CB 0.057 31.754 31.823 -0.211 0.000 1.011 495 V HN 0.202 nan 8.190 nan 0.000 0.475 496 G N 2.644 111.111 108.800 -0.555 0.000 2.434 496 G HA2 0.571 4.579 3.960 0.081 0.000 0.330 496 G HA3 0.571 4.579 3.960 0.081 0.000 0.330 496 G C 0.793 175.234 174.900 -0.765 0.000 1.155 496 G CA 0.090 44.657 45.100 -0.887 0.000 0.917 496 G HN 1.429 nan 8.290 nan 0.000 0.493 497 G N -1.236 107.396 108.800 -0.280 0.000 2.195 497 G HA2 -0.249 3.759 3.960 0.081 0.000 0.224 497 G HA3 -0.249 3.759 3.960 0.081 0.000 0.224 497 G C 0.134 175.083 174.900 0.080 0.000 0.990 497 G CA 0.535 45.640 45.100 0.009 0.000 0.639 497 G HN 1.148 nan 8.290 nan 0.000 0.514 498 Y N 2.784 123.034 120.300 -0.083 0.000 2.504 498 Y HA 0.459 5.073 4.550 0.107 0.000 0.339 498 Y C 1.793 177.666 175.900 -0.045 0.000 0.974 498 Y CA 0.532 58.597 58.100 -0.059 0.000 1.232 498 Y CB 1.116 39.522 38.460 -0.089 0.000 1.108 498 Y HN 0.249 nan 8.280 nan 0.000 0.509 499 T N 0.756 115.090 114.554 -0.366 0.000 2.851 499 T HA 0.117 4.516 4.350 0.081 0.000 0.262 499 T C 1.636 176.074 174.700 -0.436 0.000 1.043 499 T CA 0.954 62.881 62.100 -0.288 0.000 1.140 499 T CB -0.455 68.316 68.868 -0.162 0.000 0.872 499 T HN 1.261 nan 8.240 nan 0.000 0.446 500 G N 1.276 109.614 108.800 -0.770 0.000 2.157 500 G HA2 -0.238 3.771 3.960 0.081 0.000 0.248 500 G HA3 -0.238 3.771 3.960 0.081 0.000 0.248 500 G C 0.940 175.661 174.900 -0.297 0.000 0.979 500 G CA 0.426 45.163 45.100 -0.605 0.000 0.650 500 G HN 0.516 nan 8.290 nan 0.000 0.529 501 K N 0.228 120.485 120.400 -0.239 0.000 2.365 501 K HA 0.045 4.413 4.320 0.081 0.000 0.197 501 K C 0.607 177.142 176.600 -0.110 0.000 1.042 501 K CA 0.386 56.593 56.287 -0.133 0.000 0.987 501 K CB 0.140 32.581 32.500 -0.098 0.000 0.779 501 K HN 0.468 nan 8.250 nan 0.000 0.484 502 D N 2.385 122.709 120.400 -0.127 0.000 2.325 502 D HA 0.033 4.722 4.640 0.081 0.000 0.251 502 D C -1.629 174.663 176.300 -0.013 0.000 1.196 502 D CA -2.212 51.747 54.000 -0.067 0.000 0.866 502 D CB 1.397 42.172 40.800 -0.043 0.000 1.101 502 D HN -0.079 nan 8.370 nan 0.000 0.476 503 P HA -0.033 nan 4.420 nan 0.000 0.233 503 P C 1.162 178.591 177.300 0.214 0.000 1.167 503 P CA 0.481 63.661 63.100 0.133 0.000 0.770 503 P CB 0.426 32.209 31.700 0.138 0.000 0.837 504 L N -1.159 120.148 121.223 0.140 0.000 2.554 504 L HA 0.151 4.540 4.340 0.081 0.000 0.225 504 L C 0.495 177.464 176.870 0.164 0.000 1.104 504 L CA 0.229 55.158 54.840 0.150 0.000 0.866 504 L CB -0.905 41.203 42.059 0.082 0.000 1.047 504 L HN -0.008 nan 8.230 nan 0.000 0.468 505 D N 1.537 121.987 120.400 0.084 0.000 2.689 505 D HA -0.198 4.491 4.640 0.081 0.000 0.237 505 D C 0.062 176.380 176.300 0.029 0.000 1.148 505 D CA 0.312 54.325 54.000 0.022 0.000 0.656 505 D CB -0.894 39.849 40.800 -0.095 0.000 1.050 505 D HN 0.123 nan 8.370 nan 0.000 0.426 506 N N 1.257 119.978 118.700 0.036 0.000 3.124 506 N HA 0.081 4.870 4.740 0.081 0.000 0.284 506 N C 0.065 175.550 175.510 -0.042 0.000 1.209 506 N CA -0.192 52.843 53.050 -0.025 0.000 1.149 506 N CB 0.053 38.576 38.487 0.059 0.000 1.434 506 N HN 0.307 nan 8.380 nan 0.000 0.529 507 I N 1.927 122.463 120.570 -0.055 0.000 2.588 507 I HA 0.049 4.268 4.170 0.081 0.000 0.283 507 I C 0.179 176.200 176.117 -0.159 0.000 1.119 507 I CA -0.480 60.834 61.300 0.023 0.000 1.419 507 I CB -0.455 37.580 38.000 0.057 0.000 1.394 507 I HN 0.184 nan 8.210 nan 0.000 0.562 508 Y N 4.420 124.771 120.300 0.086 0.000 2.328 508 Y HA 0.292 4.888 4.550 0.076 0.000 0.336 508 Y C 1.089 177.043 175.900 0.091 0.000 0.960 508 Y CA -0.679 57.471 58.100 0.083 0.000 1.134 508 Y CB 1.572 40.083 38.460 0.086 0.000 1.166 508 Y HN 0.269 nan 8.280 nan 0.000 0.464 509 V N 3.231 123.253 119.914 0.180 0.000 2.759 509 V HA -0.268 3.901 4.120 0.081 0.000 0.256 509 V C 2.066 178.317 176.094 0.261 0.000 1.080 509 V CA 1.987 64.350 62.300 0.105 0.000 1.101 509 V CB -0.527 31.201 31.823 -0.159 0.000 0.698 509 V HN 0.804 nan 8.190 nan 0.000 0.477 510 K N 0.297 120.928 120.400 0.385 0.000 2.360 510 K HA -0.163 4.206 4.320 0.081 0.000 0.201 510 K C 1.248 177.967 176.600 0.198 0.000 1.046 510 K CA 1.666 58.115 56.287 0.270 0.000 0.945 510 K CB -0.279 32.293 32.500 0.120 0.000 0.750 510 K HN 0.398 nan 8.250 nan 0.000 0.464 511 N N 0.584 119.412 118.700 0.214 0.000 2.280 511 N HA 0.163 4.952 4.740 0.081 0.000 0.192 511 N C 0.153 175.792 175.510 0.215 0.000 1.109 511 N CA 0.219 53.388 53.050 0.198 0.000 0.855 511 N CB 0.245 38.852 38.487 0.199 0.000 0.974 511 N HN 0.184 nan 8.380 nan 0.000 0.482 512 L N 0.182 121.515 121.223 0.183 0.000 2.376 512 L HA 0.475 4.863 4.340 0.081 0.000 0.267 512 L C -0.675 176.315 176.870 0.199 0.000 1.035 512 L CA -1.151 53.748 54.840 0.100 0.000 0.800 512 L CB 0.876 42.947 42.059 0.020 0.000 1.290 512 L HN 0.087 nan 8.230 nan 0.000 0.462 513 Y N -1.461 118.894 120.300 0.093 0.000 2.592 513 Y HA 0.574 5.161 4.550 0.062 0.000 0.334 513 Y C -1.243 174.726 175.900 0.116 0.000 1.136 513 Y CA -1.414 56.742 58.100 0.093 0.000 1.042 513 Y CB 0.800 39.309 38.460 0.082 0.000 1.325 513 Y HN 0.098 nan 8.280 nan 0.000 0.457 514 I N 4.200 124.932 120.570 0.271 0.000 2.304 514 I HA 0.340 4.558 4.170 0.081 0.000 0.291 514 I C 0.116 176.424 176.117 0.317 0.000 1.018 514 I CA -1.089 60.365 61.300 0.257 0.000 1.260 514 I CB 0.809 38.938 38.000 0.215 0.000 1.390 514 I HN 0.651 nan 8.210 nan 0.000 0.475 515 I N 5.412 126.192 120.570 0.350 0.000 2.575 515 I HA 0.104 4.323 4.170 0.081 0.000 0.285 515 I C 1.050 177.344 176.117 0.295 0.000 1.085 515 I CA -0.444 61.053 61.300 0.328 0.000 1.403 515 I CB 0.536 38.726 38.000 0.317 0.000 1.409 515 I HN 0.497 nan 8.210 nan 0.000 0.557 516 K N 6.425 126.924 120.400 0.166 0.000 2.484 516 K HA 0.051 4.420 4.320 0.081 0.000 0.280 516 K C -0.537 176.116 176.600 0.089 0.000 1.013 516 K CA 0.230 56.544 56.287 0.046 0.000 1.029 516 K CB 0.291 32.793 32.500 0.004 0.000 0.902 516 K HN 0.729 nan 8.250 nan 0.000 0.481 517 H N 0.000 118.999 119.070 -0.118 0.000 2.539 517 H HA 0.000 4.605 4.556 0.082 0.000 0.296 517 H CA 0.000 55.971 56.048 -0.129 0.000 1.023 517 H CB 0.000 29.669 29.762 -0.155 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496