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 1oh8_1_A DATA FIRST_RESID 2 DATA SEQUENCE SAIENFDAHT PMMQQYLRLK AQHPEILLFY RMGDFYELFY DDAKRASQLL DATA SEQUENCE DISLTKRGAS AGEPIPMAGI PYHAVENYLA KLVNQGESVA ICEQIGDPAT DATA SEQUENCE SKGPVERKVV RIVTPGTISD EALLQERQDN LLAAIWQDSK GFGYATLDIS DATA SEQUENCE SGRFRLSEPA DRETMAAELQ RTNPAELLYA EDFAEMSLIE GRRGLRRRPL DATA SEQUENCE WEFEIDTARQ QLNLQFGTRD LVGFGVENAP RGLCAAGCLL QYAKDTQRTT DATA SEQUENCE LPHIRSITME REQDSIIMDA ATRRNLEITQ NLAGGAENTL ASVLDCTVTP DATA SEQUENCE MGSRMLKRWL HMPVRDTRVL LERQQTIGAL QDFTAGLQPV LRQVGDLERI DATA SEQUENCE LARLALRTAR PRDLARMRHA FQQLPELRAQ LETVDSAPVQ ALREKMGEFA DATA SEQUENCE ELRDLLERAI IDTPPVLVRD GGVIASGYNE ELDEWRALAD GATDYLERLE DATA SEQUENCE VRERERTGLD TLKVGFNAVH GYYIQISRGQ SHLAPINYMR RQTLKNAERY DATA SEQUENCE IIPELKEYED KVLTSKGKAL ALEKQLYEEL FDLLLPHLEA LQQSASALAE DATA SEQUENCE LDVLVNLAER AYTLNYTCPT FIDKPGIRIT EGRHPVVEQV LNEPFIANPL DATA SEQUENCE NLSPQRRMLI ITGPNMGGKS TYMRQTALIA LMAYIGSYVP AQKVEIGPID DATA SEQUENCE RIFTRVGXXX XXXXXXXXFM VEMTETANIL HNATEYSLVL MDEIGRGTST DATA SEQUENCE YDGLSLAWAC AENLANKIKA LTLFATHYFE LTQLPEKMEG VANVHLDALE DATA SEQUENCE HGDTIAFMHS VQDGAASKSY GLAVAALAGV PKEVIKRARQ KLRELESIS 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.602 174.600 0.003 0.000 1.055 2 S CA 0.000 58.205 58.200 0.008 0.000 1.107 2 S CB 0.000 63.206 63.200 0.010 0.000 0.593 3 A N 4.854 127.675 122.820 0.002 0.000 2.388 3 A HA 0.666 4.988 4.320 0.004 0.000 0.257 3 A C 0.153 177.729 177.584 -0.012 0.000 1.095 3 A CA -0.365 51.666 52.037 -0.010 0.000 0.791 3 A CB 0.036 19.026 19.000 -0.017 0.000 1.029 3 A HN 0.857 nan 8.150 nan 0.000 0.489 4 I N 1.833 122.391 120.570 -0.020 0.000 2.363 4 I HA 0.099 4.271 4.170 0.004 0.000 0.292 4 I C 0.575 176.670 176.117 -0.037 0.000 1.075 4 I CA 0.480 61.771 61.300 -0.015 0.000 1.333 4 I CB 0.665 38.659 38.000 -0.011 0.000 1.415 4 I HN 0.767 nan 8.210 nan 0.000 0.502 5 E N 5.503 125.703 120.200 -0.000 0.000 2.651 5 E HA 0.052 4.404 4.350 0.004 0.000 0.213 5 E C -0.317 176.369 176.600 0.143 0.000 1.028 5 E CA -0.412 55.998 56.400 0.017 0.000 1.183 5 E CB 0.162 29.965 29.700 0.170 0.000 1.188 5 E HN 0.630 nan 8.360 nan 0.000 0.444 6 N N 0.541 119.291 118.700 0.083 0.000 2.294 6 N HA -0.166 4.577 4.740 0.004 0.000 0.248 6 N C 0.786 176.434 175.510 0.231 0.000 1.242 6 N CA 0.177 53.312 53.050 0.142 0.000 0.848 6 N CB 0.695 39.235 38.487 0.087 0.000 1.084 6 N HN 0.037 nan 8.380 nan 0.000 0.457 7 F N 1.812 121.836 119.950 0.124 0.000 2.060 7 F HA -0.340 4.190 4.527 0.004 0.000 0.293 7 F C 1.382 177.262 175.800 0.134 0.000 1.096 7 F CA 2.701 60.785 58.000 0.141 0.000 1.241 7 F CB -0.245 38.798 39.000 0.072 0.000 0.959 7 F HN 0.603 nan 8.300 nan 0.000 0.499 8 D N -0.364 120.151 120.400 0.191 0.000 2.349 8 D HA 0.105 4.747 4.640 0.004 0.000 0.224 8 D C 1.812 178.100 176.300 -0.019 0.000 1.029 8 D CA 0.848 54.889 54.000 0.068 0.000 0.879 8 D CB -0.788 40.091 40.800 0.131 0.000 0.906 8 D HN 0.388 nan 8.370 nan 0.000 0.528 9 A N 0.117 122.902 122.820 -0.059 0.000 2.123 9 A HA -0.035 4.287 4.320 0.004 0.000 0.214 9 A C 0.927 178.363 177.584 -0.247 0.000 1.152 9 A CA 0.338 52.282 52.037 -0.155 0.000 0.728 9 A CB -0.280 18.600 19.000 -0.201 0.000 0.814 9 A HN 0.205 nan 8.150 nan 0.000 0.464 10 H N 0.223 119.220 119.070 -0.121 0.000 2.509 10 H HA 0.321 4.880 4.556 0.004 0.000 0.359 10 H C 0.482 175.712 175.328 -0.163 0.000 1.253 10 H CA 0.745 56.708 56.048 -0.143 0.000 1.373 10 H CB 0.869 30.524 29.762 -0.179 0.000 1.555 10 H HN 0.334 nan 8.280 nan 0.000 0.586 11 T N -1.191 113.374 114.554 0.018 0.000 2.882 11 T HA 0.092 4.444 4.350 0.004 0.000 0.287 11 T C -1.816 172.844 174.700 -0.067 0.000 1.014 11 T CA -1.733 60.343 62.100 -0.040 0.000 1.049 11 T CB 1.112 69.953 68.868 -0.044 0.000 1.001 11 T HN 0.240 nan 8.240 nan 0.000 0.525 12 P HA -0.133 nan 4.420 nan 0.000 0.217 12 P C 1.701 178.997 177.300 -0.007 0.000 1.148 12 P CA 1.042 64.119 63.100 -0.039 0.000 0.828 12 P CB -0.060 31.637 31.700 -0.006 0.000 0.783 13 M N -1.802 117.798 119.600 -0.000 0.000 2.098 13 M HA -0.093 4.389 4.480 0.004 0.000 0.262 13 M C 1.623 177.940 176.300 0.029 0.000 1.072 13 M CA 1.902 57.230 55.300 0.047 0.000 1.133 13 M CB -0.367 32.244 32.600 0.019 0.000 1.344 13 M HN -0.161 nan 8.290 nan 0.000 0.414 14 M N 0.290 119.851 119.600 -0.064 0.000 2.319 14 M HA -0.117 4.366 4.480 0.004 0.000 0.265 14 M C 1.895 178.129 176.300 -0.111 0.000 1.068 14 M CA 1.427 56.663 55.300 -0.108 0.000 1.118 14 M CB -1.364 31.156 32.600 -0.134 0.000 1.395 14 M HN 0.401 nan 8.290 nan 0.000 0.435 15 Q N 0.120 119.826 119.800 -0.157 0.000 2.002 15 Q HA -0.249 4.094 4.340 0.004 0.000 0.204 15 Q C 2.151 178.172 176.000 0.035 0.000 0.988 15 Q CA 2.091 57.747 55.803 -0.246 0.000 0.843 15 Q CB -0.277 28.171 28.738 -0.485 0.000 0.908 15 Q HN 0.553 nan 8.270 nan 0.000 0.420 16 Q N -0.558 119.300 119.800 0.097 0.000 2.112 16 Q HA -0.267 4.075 4.340 0.004 0.000 0.206 16 Q C 1.909 178.043 176.000 0.224 0.000 0.987 16 Q CA 1.767 57.684 55.803 0.191 0.000 0.858 16 Q CB -0.205 28.668 28.738 0.225 0.000 0.905 16 Q HN 0.490 nan 8.270 nan 0.000 0.420 17 Y N 0.661 120.989 120.300 0.047 0.000 2.092 17 Y HA -0.207 4.345 4.550 0.004 0.000 0.282 17 Y C 1.952 177.850 175.900 -0.003 0.000 1.126 17 Y CA 1.823 59.870 58.100 -0.088 0.000 1.111 17 Y CB -0.382 37.878 38.460 -0.333 0.000 0.987 17 Y HN 0.088 nan 8.280 nan 0.000 0.489 18 L N 0.185 121.509 121.223 0.168 0.000 2.187 18 L HA -0.247 4.095 4.340 0.004 0.000 0.213 18 L C 2.648 179.533 176.870 0.024 0.000 1.100 18 L CA 1.196 56.079 54.840 0.072 0.000 0.765 18 L CB -0.458 41.588 42.059 -0.022 0.000 0.904 18 L HN 0.256 nan 8.230 nan 0.000 0.437 19 R N -0.162 120.383 120.500 0.074 0.000 2.057 19 R HA -0.072 4.271 4.340 0.004 0.000 0.229 19 R C 2.283 178.592 176.300 0.015 0.000 1.136 19 R CA 1.152 57.300 56.100 0.080 0.000 0.952 19 R CB -0.337 30.051 30.300 0.147 0.000 0.848 19 R HN 0.328 nan 8.270 nan 0.000 0.430 20 L N 0.768 121.998 121.223 0.012 0.000 2.083 20 L HA -0.166 4.176 4.340 0.004 0.000 0.209 20 L C 2.483 179.340 176.870 -0.021 0.000 1.083 20 L CA 1.096 55.950 54.840 0.023 0.000 0.752 20 L CB -0.360 41.757 42.059 0.097 0.000 0.899 20 L HN 0.047 nan 8.230 nan 0.000 0.433 21 K N 1.025 121.310 120.400 -0.192 0.000 2.103 21 K HA -0.049 4.273 4.320 0.004 0.000 0.204 21 K C 1.962 178.532 176.600 -0.050 0.000 1.052 21 K CA 1.416 57.592 56.287 -0.186 0.000 0.945 21 K CB -0.317 31.940 32.500 -0.405 0.000 0.722 21 K HN 0.168 nan 8.250 nan 0.000 0.443 22 A N 0.653 123.442 122.820 -0.052 0.000 2.125 22 A HA -0.116 4.206 4.320 0.004 0.000 0.219 22 A C 1.588 179.128 177.584 -0.073 0.000 1.156 22 A CA 1.181 53.197 52.037 -0.034 0.000 0.671 22 A CB -0.374 18.615 19.000 -0.017 0.000 0.794 22 A HN 0.477 nan 8.150 nan 0.000 0.459 23 Q N -0.804 118.911 119.800 -0.142 0.000 2.365 23 Q HA 0.042 4.384 4.340 0.004 0.000 0.203 23 Q C -0.514 175.096 176.000 -0.651 0.000 0.929 23 Q CA 0.343 55.945 55.803 -0.334 0.000 0.948 23 Q CB 0.239 28.752 28.738 -0.375 0.000 1.043 23 Q HN 0.781 nan 8.270 nan 0.000 0.505 24 H N -1.498 117.564 119.070 -0.014 0.000 3.345 24 H HA 0.146 4.704 4.556 0.004 0.000 0.215 24 H C -2.040 173.289 175.328 0.002 0.000 1.368 24 H CA -1.232 54.810 56.048 -0.010 0.000 1.211 24 H CB 0.803 30.550 29.762 -0.025 0.000 2.467 24 H HN 0.082 nan 8.280 nan 0.000 0.530 25 P HA -0.086 nan 4.420 nan 0.000 0.219 25 P C 1.395 178.741 177.300 0.076 0.000 1.150 25 P CA 1.143 64.281 63.100 0.064 0.000 0.814 25 P CB 0.642 32.365 31.700 0.039 0.000 0.787 26 E N -0.352 119.896 120.200 0.080 0.000 2.442 26 E HA 0.091 4.443 4.350 0.004 0.000 0.195 26 E C 1.230 177.873 176.600 0.071 0.000 1.030 26 E CA 0.183 56.626 56.400 0.073 0.000 0.869 26 E CB 0.180 29.922 29.700 0.069 0.000 0.857 26 E HN 0.421 nan 8.360 nan 0.000 0.505 27 I N -2.036 118.579 120.570 0.076 0.000 2.740 27 I HA 0.344 4.517 4.170 0.004 0.000 0.303 27 I C -0.329 175.807 176.117 0.031 0.000 1.044 27 I CA -1.188 60.136 61.300 0.041 0.000 1.064 27 I CB 1.574 39.583 38.000 0.016 0.000 1.249 27 I HN -0.284 nan 8.210 nan 0.000 0.433 28 L N 4.101 125.327 121.223 0.005 0.000 2.483 28 L HA 0.147 4.489 4.340 0.004 0.000 0.276 28 L C -0.355 176.510 176.870 -0.008 0.000 1.213 28 L CA -0.085 54.775 54.840 0.033 0.000 0.843 28 L CB 0.449 42.529 42.059 0.034 0.000 1.107 28 L HN 0.489 nan 8.230 nan 0.000 0.487 29 L N 3.691 124.970 121.223 0.094 0.000 2.318 29 L HA 0.483 4.826 4.340 0.004 0.000 0.277 29 L C -0.715 176.346 176.870 0.318 0.000 1.008 29 L CA -0.051 54.851 54.840 0.104 0.000 0.846 29 L CB 0.586 42.691 42.059 0.076 0.000 1.220 29 L HN 0.137 nan 8.230 nan 0.000 0.423 30 F N 4.795 124.749 119.950 0.007 0.000 2.495 30 F HA 0.186 4.716 4.527 0.004 0.000 0.365 30 F C -0.263 175.680 175.800 0.237 0.000 1.090 30 F CA -0.069 57.965 58.000 0.056 0.000 1.235 30 F CB 0.268 39.170 39.000 -0.164 0.000 1.119 30 F HN 0.418 nan 8.300 nan 0.000 0.562 31 Y N 4.103 124.579 120.300 0.295 0.000 2.426 31 Y HA 0.413 4.966 4.550 0.004 0.000 0.325 31 Y C 0.036 176.080 175.900 0.240 0.000 0.989 31 Y CA -1.443 56.821 58.100 0.274 0.000 1.284 31 Y CB 0.392 39.039 38.460 0.312 0.000 1.104 31 Y HN 0.504 nan 8.280 nan 0.000 0.481 32 R N 5.522 126.051 120.500 0.048 0.000 2.483 32 R HA 0.147 4.490 4.340 0.004 0.000 0.329 32 R C -1.148 175.037 176.300 -0.190 0.000 0.961 32 R CA 0.605 56.619 56.100 -0.143 0.000 1.041 32 R CB -0.147 30.050 30.300 -0.171 0.000 0.930 32 R HN 0.643 nan 8.270 nan 0.000 0.413 33 M N 5.167 124.735 119.600 -0.055 0.000 1.999 33 M HA 0.242 4.725 4.480 0.004 0.000 0.299 33 M C 0.660 176.967 176.300 0.012 0.000 0.900 33 M CA 0.126 55.441 55.300 0.024 0.000 0.904 33 M CB 0.979 33.688 32.600 0.181 0.000 1.477 33 M HN 0.875 nan 8.290 nan 0.000 0.403 34 G N 3.558 112.334 108.800 -0.041 0.000 2.574 34 G HA2 -0.287 3.675 3.960 0.004 0.000 0.301 34 G HA3 -0.287 3.675 3.960 0.004 0.000 0.301 34 G C 0.406 175.266 174.900 -0.067 0.000 1.166 34 G CA 0.532 45.612 45.100 -0.034 0.000 0.971 34 G HN 0.548 nan 8.290 nan 0.000 0.542 35 D N 0.615 121.061 120.400 0.078 0.000 2.339 35 D HA 0.395 5.037 4.640 0.004 0.000 0.217 35 D C -0.043 176.237 176.300 -0.032 0.000 1.050 35 D CA 0.243 54.263 54.000 0.034 0.000 0.856 35 D CB 0.011 40.908 40.800 0.162 0.000 0.922 35 D HN 0.117 nan 8.370 nan 0.000 0.518 36 F N -0.015 119.828 119.950 -0.178 0.000 2.529 36 F HA 0.306 4.836 4.527 0.004 0.000 0.320 36 F C -0.345 175.284 175.800 -0.286 0.000 1.118 36 F CA -1.128 56.754 58.000 -0.196 0.000 0.915 36 F CB 1.036 39.962 39.000 -0.123 0.000 1.161 36 F HN -0.236 nan 8.300 nan 0.000 0.445 37 Y N 2.432 122.710 120.300 -0.036 0.000 2.436 37 Y HA 0.280 4.832 4.550 0.004 0.000 0.336 37 Y C 0.472 176.247 175.900 -0.209 0.000 1.049 37 Y CA -0.173 57.844 58.100 -0.138 0.000 1.294 37 Y CB 0.230 38.497 38.460 -0.321 0.000 1.179 37 Y HN 0.503 nan 8.280 nan 0.000 0.520 38 E N 3.206 123.404 120.200 -0.003 0.000 2.281 38 E HA 0.740 5.092 4.350 0.004 0.000 0.262 38 E C -1.444 174.904 176.600 -0.420 0.000 0.933 38 E CA -1.102 55.156 56.400 -0.237 0.000 0.809 38 E CB 2.351 31.906 29.700 -0.242 0.000 1.242 38 E HN 0.381 nan 8.360 nan 0.000 0.418 39 L N 1.445 122.263 121.223 -0.675 0.000 2.445 39 L HA 0.517 4.860 4.340 0.004 0.000 0.262 39 L C -1.275 175.159 176.870 -0.726 0.000 0.974 39 L CA -0.457 54.074 54.840 -0.516 0.000 0.822 39 L CB 1.154 43.123 42.059 -0.150 0.000 1.339 39 L HN 0.442 nan 8.230 nan 0.000 0.409 40 F N 0.370 120.270 119.950 -0.084 0.000 2.631 40 F HA 0.722 5.251 4.527 0.004 0.000 0.328 40 F C -0.096 175.649 175.800 -0.093 0.000 1.067 40 F CA -1.242 56.567 58.000 -0.318 0.000 0.969 40 F CB 0.687 39.215 39.000 -0.787 0.000 1.332 40 F HN 0.338 nan 8.300 nan 0.000 0.490 41 Y N -0.424 119.958 120.300 0.137 0.000 3.187 41 Y HA -0.409 4.144 4.550 0.004 0.000 0.359 41 Y C 1.687 177.640 175.900 0.089 0.000 1.065 41 Y CA 0.580 58.735 58.100 0.092 0.000 1.245 41 Y CB -1.504 37.014 38.460 0.096 0.000 0.965 41 Y HN 0.705 nan 8.280 nan 0.000 0.597 42 D N -0.578 119.988 120.400 0.277 0.000 3.866 42 D HA -0.326 4.316 4.640 0.004 0.000 0.210 42 D C 1.297 177.684 176.300 0.145 0.000 1.279 42 D CA 2.387 56.492 54.000 0.174 0.000 0.868 42 D CB -0.515 40.378 40.800 0.155 0.000 0.938 42 D HN 0.627 nan 8.370 nan 0.000 0.571 43 D N -0.365 120.139 120.400 0.174 0.000 2.133 43 D HA -0.188 4.454 4.640 0.004 0.000 0.192 43 D C 2.098 178.453 176.300 0.093 0.000 1.001 43 D CA 1.831 55.916 54.000 0.142 0.000 0.844 43 D CB -0.631 40.280 40.800 0.185 0.000 0.944 43 D HN 0.357 nan 8.370 nan 0.000 0.447 44 A N 0.519 123.378 122.820 0.065 0.000 1.877 44 A HA -0.217 4.106 4.320 0.004 0.000 0.216 44 A C 2.076 179.677 177.584 0.028 0.000 1.186 44 A CA 1.671 53.713 52.037 0.010 0.000 0.620 44 A CB -0.437 18.553 19.000 -0.018 0.000 0.822 44 A HN 0.141 nan 8.150 nan 0.000 0.443 45 K N -1.040 119.391 120.400 0.052 0.000 2.063 45 K HA -0.177 4.145 4.320 0.004 0.000 0.208 45 K C 2.403 179.033 176.600 0.050 0.000 1.048 45 K CA 1.755 58.072 56.287 0.049 0.000 0.928 45 K CB -0.127 32.410 32.500 0.063 0.000 0.713 45 K HN 0.443 nan 8.250 nan 0.000 0.442 46 R N 0.367 120.904 120.500 0.062 0.000 2.055 46 R HA -0.052 4.290 4.340 0.004 0.000 0.228 46 R C 2.188 178.525 176.300 0.061 0.000 1.143 46 R CA 1.393 57.530 56.100 0.062 0.000 0.945 46 R CB -0.387 29.956 30.300 0.071 0.000 0.841 46 R HN 0.176 nan 8.270 nan 0.000 0.429 47 A N 0.056 122.916 122.820 0.067 0.000 1.915 47 A HA -0.304 4.018 4.320 0.004 0.000 0.220 47 A C 2.219 179.826 177.584 0.038 0.000 1.198 47 A CA 2.375 54.452 52.037 0.065 0.000 0.647 47 A CB -1.299 17.730 19.000 0.049 0.000 0.825 47 A HN 0.514 nan 8.150 nan 0.000 0.456 48 S N -1.001 114.712 115.700 0.022 0.000 2.365 48 S HA -0.282 4.190 4.470 0.004 0.000 0.225 48 S C 2.186 176.806 174.600 0.034 0.000 1.039 48 S CA 1.954 60.164 58.200 0.017 0.000 1.033 48 S CB -0.401 62.807 63.200 0.013 0.000 0.887 48 S HN 0.705 nan 8.310 nan 0.000 0.447 49 Q N -0.030 119.794 119.800 0.040 0.000 2.084 49 Q HA -0.015 4.327 4.340 0.004 0.000 0.202 49 Q C 2.347 178.379 176.000 0.054 0.000 0.978 49 Q CA 1.542 57.372 55.803 0.044 0.000 0.844 49 Q CB -0.217 28.546 28.738 0.042 0.000 0.898 49 Q HN 0.515 nan 8.270 nan 0.000 0.426 50 L N -0.130 121.131 121.223 0.063 0.000 2.044 50 L HA -0.128 4.214 4.340 0.004 0.000 0.205 50 L C 1.768 178.697 176.870 0.099 0.000 1.075 50 L CA 0.918 55.803 54.840 0.075 0.000 0.747 50 L CB -0.055 42.054 42.059 0.082 0.000 0.903 50 L HN 0.211 nan 8.230 nan 0.000 0.435 51 L N -1.236 120.059 121.223 0.121 0.000 2.628 51 L HA 0.107 4.450 4.340 0.004 0.000 0.229 51 L C 0.192 177.165 176.870 0.172 0.000 1.137 51 L CA -0.222 54.734 54.840 0.193 0.000 0.909 51 L CB -0.394 41.798 42.059 0.221 0.000 1.137 51 L HN 0.237 nan 8.230 nan 0.000 0.470 52 D N 2.940 123.401 120.400 0.102 0.000 3.142 52 D HA -0.211 4.431 4.640 0.004 0.000 0.221 52 D C -0.567 175.781 176.300 0.080 0.000 1.193 52 D CA 0.754 54.802 54.000 0.080 0.000 0.900 52 D CB -0.324 40.524 40.800 0.079 0.000 0.886 52 D HN 0.509 nan 8.370 nan 0.000 0.399 53 I N -2.247 118.345 120.570 0.038 0.000 2.994 53 I HA 0.443 4.616 4.170 0.004 0.000 0.306 53 I C 0.118 176.234 176.117 -0.002 0.000 1.195 53 I CA -1.139 60.166 61.300 0.008 0.000 1.001 53 I CB 1.902 39.866 38.000 -0.059 0.000 1.244 53 I HN -0.024 nan 8.210 nan 0.000 0.437 54 S N 2.530 118.228 115.700 -0.004 0.000 2.537 54 S HA 0.286 4.758 4.470 0.004 0.000 0.286 54 S C -0.372 174.217 174.600 -0.018 0.000 1.299 54 S CA -0.315 57.881 58.200 -0.006 0.000 1.067 54 S CB 0.175 63.372 63.200 -0.006 0.000 0.864 54 S HN 0.427 nan 8.310 nan 0.000 0.494 55 L N 5.763 126.979 121.223 -0.011 0.000 2.257 55 L HA 0.613 4.955 4.340 0.004 0.000 0.290 55 L C 0.281 177.140 176.870 -0.017 0.000 1.044 55 L CA 0.523 55.355 54.840 -0.014 0.000 0.810 55 L CB 1.047 43.105 42.059 -0.001 0.000 1.193 55 L HN 0.719 nan 8.230 nan 0.000 0.425 56 T N 3.719 118.257 114.554 -0.026 0.000 2.693 56 T HA 0.639 4.992 4.350 0.004 0.000 0.278 56 T C -0.902 173.776 174.700 -0.038 0.000 0.994 56 T CA -0.643 61.438 62.100 -0.031 0.000 1.033 56 T CB 1.172 70.017 68.868 -0.039 0.000 1.342 56 T HN 0.609 nan 8.240 nan 0.000 0.538 57 K N 0.633 121.006 120.400 -0.046 0.000 2.375 57 K HA 0.632 4.955 4.320 0.004 0.000 0.249 57 K C -0.926 175.630 176.600 -0.073 0.000 0.942 57 K CA -0.953 55.297 56.287 -0.062 0.000 0.806 57 K CB 1.792 34.258 32.500 -0.056 0.000 1.227 57 K HN 0.279 nan 8.250 nan 0.000 0.430 58 R N 1.253 121.692 120.500 -0.100 0.000 2.575 58 R HA 0.233 4.575 4.340 0.004 0.000 0.292 58 R C -0.966 175.246 176.300 -0.147 0.000 1.246 58 R CA -0.403 55.630 56.100 -0.112 0.000 0.973 58 R CB 1.605 31.844 30.300 -0.101 0.000 1.187 58 R HN 0.976 nan 8.270 nan 0.000 0.478 59 G N 2.709 111.442 108.800 -0.112 0.000 2.527 59 G HA2 -0.255 3.707 3.960 0.004 0.000 0.183 59 G HA3 -0.255 3.707 3.960 0.004 0.000 0.183 59 G C 0.364 175.189 174.900 -0.125 0.000 0.167 59 G CA 0.352 45.388 45.100 -0.107 0.000 1.085 59 G HN 0.863 nan 8.290 nan 0.000 0.502 60 A N 2.522 125.286 122.820 -0.093 0.000 2.615 60 A HA 0.520 4.843 4.320 0.004 0.000 0.230 60 A C 1.638 179.180 177.584 -0.071 0.000 1.062 60 A CA 1.461 53.454 52.037 -0.074 0.000 0.758 60 A CB 0.279 19.251 19.000 -0.047 0.000 0.995 60 A HN 2.401 nan 8.150 nan 0.000 0.511 61 S N 0.899 116.581 115.700 -0.030 0.000 2.826 61 S HA 0.405 4.877 4.470 0.004 0.000 0.193 61 S C 1.111 175.667 174.600 -0.074 0.000 0.838 61 S CA 0.787 58.984 58.200 -0.005 0.000 0.844 61 S CB -0.316 62.975 63.200 0.153 0.000 0.816 61 S HN 1.909 nan 8.310 nan 0.000 0.626 62 A N 0.288 123.009 122.820 -0.165 0.000 3.293 62 A HA 0.669 4.991 4.320 0.004 0.000 0.282 62 A C 1.169 178.657 177.584 -0.158 0.000 1.394 62 A CA 0.189 52.044 52.037 -0.303 0.000 1.118 62 A CB -1.399 17.156 19.000 -0.742 0.000 1.133 62 A HN 1.725 nan 8.150 nan 0.000 0.627 63 G N -0.246 108.500 108.800 -0.091 0.000 2.729 63 G HA2 -0.213 3.749 3.960 0.004 0.000 0.216 63 G HA3 -0.213 3.749 3.960 0.004 0.000 0.216 63 G C 0.243 175.126 174.900 -0.028 0.000 1.252 63 G CA 0.211 45.278 45.100 -0.055 0.000 0.751 63 G HN 0.594 nan 8.290 nan 0.000 0.527 64 E N 2.143 122.339 120.200 -0.006 0.000 2.283 64 E HA 0.483 4.835 4.350 0.004 0.000 0.271 64 E C -2.319 174.297 176.600 0.027 0.000 1.031 64 E CA -1.788 54.626 56.400 0.024 0.000 0.868 64 E CB 1.603 31.339 29.700 0.059 0.000 1.094 64 E HN 0.212 nan 8.360 nan 0.000 0.401 65 P HA 0.127 nan 4.420 nan 0.000 0.274 65 P C -0.643 176.619 177.300 -0.063 0.000 1.246 65 P CA 0.074 63.155 63.100 -0.032 0.000 0.795 65 P CB 0.547 32.228 31.700 -0.030 0.000 1.006 66 I N 2.302 122.769 120.570 -0.173 0.000 2.359 66 I HA 0.273 4.446 4.170 0.004 0.000 0.284 66 I C -2.207 173.752 176.117 -0.264 0.000 1.018 66 I CA -2.648 58.425 61.300 -0.378 0.000 1.173 66 I CB 1.334 39.004 38.000 -0.551 0.000 1.326 66 I HN 0.116 nan 8.210 nan 0.000 0.462 67 P HA 0.087 nan 4.420 nan 0.000 0.266 67 P C -0.681 176.585 177.300 -0.057 0.000 1.193 67 P CA 0.059 63.104 63.100 -0.093 0.000 0.770 67 P CB 0.558 32.239 31.700 -0.032 0.000 0.836 68 M N 1.793 121.385 119.600 -0.013 0.000 2.413 68 M HA 0.691 5.174 4.480 0.004 0.000 0.287 68 M C -2.106 174.164 176.300 -0.049 0.000 1.186 68 M CA -0.589 54.724 55.300 0.023 0.000 0.927 68 M CB 2.261 34.906 32.600 0.076 0.000 1.715 68 M HN 0.423 nan 8.290 nan 0.000 0.478 69 A N 2.556 125.309 122.820 -0.111 0.000 2.520 69 A HA 0.968 5.291 4.320 0.004 0.000 0.298 69 A C -0.959 176.521 177.584 -0.173 0.000 1.051 69 A CA -0.106 51.861 52.037 -0.116 0.000 0.690 69 A CB 1.909 20.853 19.000 -0.093 0.000 1.281 69 A HN 1.102 nan 8.150 nan 0.000 0.402 70 G N -0.324 108.393 108.800 -0.138 0.000 2.682 70 G HA2 0.797 4.760 3.960 0.004 0.000 0.290 70 G HA3 0.797 4.760 3.960 0.004 0.000 0.290 70 G C -1.410 173.420 174.900 -0.116 0.000 1.425 70 G CA -0.064 44.962 45.100 -0.124 0.000 0.807 70 G HN 1.735 nan 8.290 nan 0.000 0.482 71 I N -2.157 118.320 120.570 -0.155 0.000 2.692 71 I HA 0.599 4.771 4.170 0.004 0.000 0.293 71 I C -2.791 173.068 176.117 -0.430 0.000 1.200 71 I CA -2.665 58.449 61.300 -0.311 0.000 1.036 71 I CB 2.575 40.200 38.000 -0.625 0.000 1.258 71 I HN 0.294 nan 8.210 nan 0.000 0.421 72 P HA -0.004 nan 4.420 nan 0.000 0.269 72 P C 0.171 177.057 177.300 -0.689 0.000 1.215 72 P CA 0.085 62.458 63.100 -1.213 0.000 0.780 72 P CB 0.379 31.284 31.700 -1.325 0.000 0.898 73 Y N 2.562 122.496 120.300 -0.610 0.000 2.207 73 Y HA -0.264 4.289 4.550 0.004 0.000 0.287 73 Y C 2.447 178.294 175.900 -0.087 0.000 1.156 73 Y CA 1.827 59.752 58.100 -0.291 0.000 1.182 73 Y CB -2.048 36.198 38.460 -0.357 0.000 0.979 73 Y HN 0.511 nan 8.280 nan 0.000 0.521 74 H N -0.376 118.014 119.070 -1.133 0.000 2.491 74 H HA 0.262 4.821 4.556 0.004 0.000 0.290 74 H C 1.305 176.435 175.328 -0.329 0.000 1.050 74 H CA 0.884 56.394 56.048 -0.897 0.000 1.309 74 H CB -0.206 29.018 29.762 -0.897 0.000 1.392 74 H HN 0.489 nan 8.280 nan 0.000 0.554 75 A N 1.669 124.327 122.820 -0.270 0.000 2.545 75 A HA 0.318 4.640 4.320 0.004 0.000 0.277 75 A C 2.000 179.657 177.584 0.121 0.000 1.301 75 A CA -0.069 51.958 52.037 -0.016 0.000 0.935 75 A CB -0.172 18.845 19.000 0.029 0.000 1.093 75 A HN 0.259 nan 8.150 nan 0.000 0.519 76 V N -0.068 119.915 119.914 0.114 0.000 2.515 76 V HA -0.151 3.971 4.120 0.004 0.000 0.250 76 V C 2.150 178.365 176.094 0.201 0.000 1.058 76 V CA 2.372 64.806 62.300 0.224 0.000 1.064 76 V CB -0.249 31.715 31.823 0.234 0.000 0.675 76 V HN 0.629 nan 8.190 nan 0.000 0.461 77 E N -0.099 120.159 120.200 0.097 0.000 2.216 77 E HA -0.108 4.244 4.350 0.004 0.000 0.192 77 E C 1.962 178.562 176.600 0.001 0.000 0.988 77 E CA 0.812 57.237 56.400 0.042 0.000 0.834 77 E CB -0.456 29.252 29.700 0.013 0.000 0.772 77 E HN 0.714 nan 8.360 nan 0.000 0.479 78 N N 0.423 119.089 118.700 -0.057 0.000 2.149 78 N HA -0.170 4.572 4.740 0.004 0.000 0.188 78 N C 1.637 177.013 175.510 -0.223 0.000 1.019 78 N CA 1.157 54.086 53.050 -0.203 0.000 0.857 78 N CB -0.197 38.051 38.487 -0.397 0.000 0.997 78 N HN 0.265 nan 8.380 nan 0.000 0.426 79 Y N 1.132 121.459 120.300 0.045 0.000 2.397 79 Y HA 0.167 4.719 4.550 0.004 0.000 0.292 79 Y C 2.337 178.290 175.900 0.089 0.000 1.115 79 Y CA 0.153 58.306 58.100 0.089 0.000 1.208 79 Y CB -0.298 38.245 38.460 0.138 0.000 1.046 79 Y HN -0.051 nan 8.280 nan 0.000 0.552 80 L N -0.888 120.449 121.223 0.189 0.000 2.141 80 L HA -0.211 4.131 4.340 0.004 0.000 0.209 80 L C 2.601 179.475 176.870 0.007 0.000 1.094 80 L CA 1.029 55.891 54.840 0.037 0.000 0.763 80 L CB -0.735 41.313 42.059 -0.018 0.000 0.908 80 L HN 0.239 nan 8.230 nan 0.000 0.437 81 A N 0.382 123.204 122.820 0.004 0.000 1.858 81 A HA -0.242 4.080 4.320 0.004 0.000 0.216 81 A C 2.329 179.910 177.584 -0.006 0.000 1.190 81 A CA 1.801 53.827 52.037 -0.018 0.000 0.617 81 A CB -0.391 18.585 19.000 -0.039 0.000 0.827 81 A HN 0.271 nan 8.150 nan 0.000 0.443 82 K N -0.560 119.845 120.400 0.008 0.000 2.032 82 K HA -0.113 4.210 4.320 0.004 0.000 0.209 82 K C 1.886 178.509 176.600 0.039 0.000 1.048 82 K CA 1.678 57.981 56.287 0.027 0.000 0.927 82 K CB -0.400 32.137 32.500 0.062 0.000 0.712 82 K HN 0.486 nan 8.250 nan 0.000 0.441 83 L N -0.034 121.219 121.223 0.050 0.000 2.072 83 L HA -0.134 4.208 4.340 0.004 0.000 0.205 83 L C 2.327 179.195 176.870 -0.004 0.000 1.079 83 L CA 0.563 55.419 54.840 0.027 0.000 0.752 83 L CB -0.357 41.704 42.059 0.004 0.000 0.906 83 L HN 0.003 nan 8.230 nan 0.000 0.436 84 V N 0.486 120.389 119.914 -0.018 0.000 2.490 84 V HA -0.234 3.888 4.120 0.004 0.000 0.250 84 V C 1.995 178.082 176.094 -0.011 0.000 1.061 84 V CA 1.697 63.982 62.300 -0.024 0.000 1.064 84 V CB -0.455 31.347 31.823 -0.034 0.000 0.670 84 V HN 0.502 nan 8.190 nan 0.000 0.461 85 N N 0.354 119.051 118.700 -0.005 0.000 2.459 85 N HA -0.079 4.663 4.740 0.004 0.000 0.181 85 N C 1.296 176.808 175.510 0.003 0.000 1.046 85 N CA 0.711 53.759 53.050 -0.003 0.000 0.904 85 N CB -0.113 38.372 38.487 -0.003 0.000 0.964 85 N HN 0.686 nan 8.380 nan 0.000 0.444 86 Q N -0.595 119.210 119.800 0.008 0.000 2.211 86 Q HA 0.343 4.686 4.340 0.004 0.000 0.231 86 Q C 0.361 176.367 176.000 0.011 0.000 0.865 86 Q CA -0.141 55.670 55.803 0.012 0.000 0.997 86 Q CB 0.248 28.998 28.738 0.021 0.000 1.101 86 Q HN 0.130 nan 8.270 nan 0.000 0.468 87 G N 1.538 110.341 108.800 0.005 0.000 2.283 87 G HA2 -0.245 3.717 3.960 0.004 0.000 0.280 87 G HA3 -0.245 3.717 3.960 0.004 0.000 0.280 87 G C -0.362 174.543 174.900 0.008 0.000 1.029 87 G CA 0.189 45.293 45.100 0.006 0.000 0.840 87 G HN 0.325 nan 8.290 nan 0.000 0.505 88 E N 0.209 120.408 120.200 -0.001 0.000 2.166 88 E HA 0.497 4.849 4.350 0.004 0.000 0.275 88 E C 0.048 176.626 176.600 -0.036 0.000 0.941 88 E CA -0.407 55.988 56.400 -0.008 0.000 0.784 88 E CB 1.681 31.377 29.700 -0.006 0.000 1.115 88 E HN 0.185 nan 8.360 nan 0.000 0.399 89 S N 0.899 116.578 115.700 -0.035 0.000 2.601 89 S HA 0.458 4.931 4.470 0.004 0.000 0.271 89 S C -0.106 174.404 174.600 -0.149 0.000 1.305 89 S CA -0.665 57.490 58.200 -0.075 0.000 1.022 89 S CB 1.060 64.240 63.200 -0.033 0.000 0.940 89 S HN 0.246 nan 8.310 nan 0.000 0.525 90 V N 1.502 121.270 119.914 -0.245 0.000 2.623 90 V HA 0.628 4.751 4.120 0.004 0.000 0.304 90 V C -0.140 175.725 176.094 -0.381 0.000 1.054 90 V CA -1.022 61.040 62.300 -0.396 0.000 0.882 90 V CB 1.458 32.837 31.823 -0.740 0.000 1.002 90 V HN 0.976 nan 8.190 nan 0.000 0.424 91 A N 6.135 128.740 122.820 -0.358 0.000 2.302 91 A HA 0.709 5.031 4.320 0.004 0.000 0.295 91 A C -0.254 177.163 177.584 -0.278 0.000 1.235 91 A CA -0.323 51.478 52.037 -0.394 0.000 0.876 91 A CB -0.042 18.561 19.000 -0.661 0.000 1.133 91 A HN 0.628 nan 8.150 nan 0.000 0.533 92 I N 2.799 123.230 120.570 -0.231 0.000 2.337 92 I HA 0.145 4.318 4.170 0.004 0.000 0.291 92 I C 0.330 176.441 176.117 -0.011 0.000 1.046 92 I CA -0.365 60.861 61.300 -0.123 0.000 1.324 92 I CB 0.404 38.314 38.000 -0.151 0.000 1.409 92 I HN 0.664 nan 8.210 nan 0.000 0.494 93 C N 8.150 127.508 119.300 0.096 0.000 2.281 93 C HA 0.549 5.011 4.460 0.004 0.000 0.325 93 C C 0.220 175.277 174.990 0.111 0.000 1.282 93 C CA -0.330 58.750 59.018 0.103 0.000 1.640 93 C CB 0.198 28.032 27.740 0.157 0.000 2.288 93 C HN 0.762 nan 8.230 nan 0.000 0.507 94 E N 3.106 123.348 120.200 0.069 0.000 2.243 94 E HA 0.356 4.708 4.350 0.004 0.000 0.260 94 E C -0.763 175.819 176.600 -0.029 0.000 0.985 94 E CA -0.456 55.973 56.400 0.048 0.000 0.858 94 E CB 1.178 30.920 29.700 0.069 0.000 1.210 94 E HN 0.734 nan 8.360 nan 0.000 0.411 95 Q N 0.994 120.762 119.800 -0.054 0.000 2.274 95 Q HA 0.251 4.593 4.340 0.004 0.000 0.256 95 Q C 0.689 176.669 176.000 -0.033 0.000 0.927 95 Q CA -0.345 55.420 55.803 -0.063 0.000 0.939 95 Q CB 1.175 29.860 28.738 -0.088 0.000 1.201 95 Q HN 0.370 nan 8.270 nan 0.000 0.426 96 I N 0.791 121.349 120.570 -0.019 0.000 3.039 96 I HA 0.097 4.269 4.170 0.004 0.000 0.270 96 I C 1.301 177.413 176.117 -0.009 0.000 1.150 96 I CA 0.607 61.903 61.300 -0.007 0.000 1.448 96 I CB -1.234 36.770 38.000 0.005 0.000 1.197 96 I HN 0.629 nan 8.210 nan 0.000 0.450 97 G N 0.781 109.576 108.800 -0.010 0.000 2.485 97 G HA2 0.141 4.104 3.960 0.004 0.000 0.260 97 G HA3 0.141 4.104 3.960 0.004 0.000 0.260 97 G C -1.030 173.861 174.900 -0.015 0.000 1.459 97 G CA 0.217 45.313 45.100 -0.007 0.000 1.060 97 G HN 0.289 nan 8.290 nan 0.000 0.546 98 D N -1.553 118.840 120.400 -0.012 0.000 2.336 98 D HA 0.393 5.036 4.640 0.004 0.000 0.248 98 D C -1.836 174.456 176.300 -0.013 0.000 1.326 98 D CA -1.494 52.496 54.000 -0.017 0.000 0.973 98 D CB 1.755 42.547 40.800 -0.014 0.000 1.255 98 D HN -0.068 nan 8.370 nan 0.000 0.558 99 P HA -0.163 nan 4.420 nan 0.000 0.218 99 P C 1.084 178.378 177.300 -0.009 0.000 1.146 99 P CA 1.135 64.227 63.100 -0.012 0.000 0.820 99 P CB 0.257 31.946 31.700 -0.017 0.000 0.778 100 A N -0.952 121.861 122.820 -0.012 0.000 2.121 100 A HA -0.073 4.249 4.320 0.004 0.000 0.218 100 A C 1.575 179.156 177.584 -0.005 0.000 1.154 100 A CA 1.893 53.924 52.037 -0.009 0.000 0.679 100 A CB -1.192 17.801 19.000 -0.012 0.000 0.795 100 A HN 0.347 nan 8.150 nan 0.000 0.458 101 T N -4.159 110.393 114.554 -0.004 0.000 3.380 101 T HA 0.455 4.808 4.350 0.004 0.000 0.289 101 T C -0.055 174.646 174.700 0.003 0.000 1.012 101 T CA 0.012 62.112 62.100 -0.000 0.000 0.944 101 T CB 0.070 68.938 68.868 -0.000 0.000 1.172 101 T HN 0.003 nan 8.240 nan 0.000 0.502 102 S N 1.006 116.707 115.700 0.003 0.000 2.530 102 S HA 0.442 4.915 4.470 0.004 0.000 0.322 102 S C 0.895 175.501 174.600 0.009 0.000 1.085 102 S CA -0.818 57.387 58.200 0.008 0.000 1.096 102 S CB 1.771 64.975 63.200 0.007 0.000 0.988 102 S HN 0.410 nan 8.310 nan 0.000 0.466 103 K N 3.201 123.609 120.400 0.013 0.000 1.975 103 K HA 0.040 4.362 4.320 0.004 0.000 0.210 103 K C 1.298 177.906 176.600 0.014 0.000 1.041 103 K CA 1.066 57.360 56.287 0.012 0.000 0.942 103 K CB -0.579 31.929 32.500 0.014 0.000 0.729 103 K HN 0.729 nan 8.250 nan 0.000 0.439 104 G N 1.122 109.935 108.800 0.021 0.000 2.485 104 G HA2 0.178 4.140 3.960 0.004 0.000 0.260 104 G HA3 0.178 4.140 3.960 0.004 0.000 0.260 104 G C -2.364 172.553 174.900 0.028 0.000 1.459 104 G CA -0.778 44.337 45.100 0.025 0.000 1.060 104 G HN 0.180 nan 8.290 nan 0.000 0.546 105 P HA 0.148 nan 4.420 nan 0.000 0.266 105 P C 0.216 177.542 177.300 0.043 0.000 1.195 105 P CA -0.391 62.739 63.100 0.050 0.000 0.768 105 P CB 0.790 32.541 31.700 0.084 0.000 0.838 106 V N 2.878 122.808 119.914 0.028 0.000 2.901 106 V HA -0.085 4.037 4.120 0.004 0.000 0.307 106 V C 0.838 176.945 176.094 0.022 0.000 1.084 106 V CA 0.140 62.449 62.300 0.014 0.000 1.184 106 V CB 0.066 31.884 31.823 -0.008 0.000 0.941 106 V HN 0.591 nan 8.190 nan 0.000 0.493 107 E N 5.541 125.753 120.200 0.020 0.000 2.437 107 E HA 0.164 4.516 4.350 0.004 0.000 0.263 107 E C -0.372 176.237 176.600 0.016 0.000 1.030 107 E CA 0.058 56.476 56.400 0.029 0.000 0.934 107 E CB 0.428 30.143 29.700 0.025 0.000 0.943 107 E HN 0.631 nan 8.360 nan 0.000 0.444 108 R N 3.296 123.816 120.500 0.033 0.000 2.510 108 R HA 0.304 4.646 4.340 0.004 0.000 0.287 108 R C -0.879 175.451 176.300 0.050 0.000 1.084 108 R CA -0.712 55.397 56.100 0.015 0.000 0.934 108 R CB 1.809 32.097 30.300 -0.020 0.000 1.201 108 R HN 0.347 nan 8.270 nan 0.000 0.431 109 K N 2.110 122.533 120.400 0.040 0.000 2.318 109 K HA 0.385 4.708 4.320 0.004 0.000 0.249 109 K C -0.550 176.085 176.600 0.058 0.000 0.942 109 K CA -0.752 55.568 56.287 0.054 0.000 0.808 109 K CB 2.427 34.950 32.500 0.039 0.000 1.189 109 K HN 0.236 nan 8.250 nan 0.000 0.428 110 V N 4.716 124.676 119.914 0.077 0.000 2.479 110 V HA -0.030 4.092 4.120 0.004 0.000 0.281 110 V C 1.326 177.437 176.094 0.028 0.000 1.031 110 V CA 0.108 62.440 62.300 0.052 0.000 1.038 110 V CB 0.930 32.796 31.823 0.071 0.000 0.981 110 V HN 0.735 nan 8.190 nan 0.000 0.478 111 V N 3.644 123.565 119.914 0.012 0.000 2.685 111 V HA 0.280 4.403 4.120 0.004 0.000 0.244 111 V C 0.787 176.869 176.094 -0.021 0.000 1.054 111 V CA 0.736 63.040 62.300 0.006 0.000 1.076 111 V CB -0.321 31.514 31.823 0.020 0.000 0.725 111 V HN 0.890 nan 8.190 nan 0.000 0.467 112 R N -0.040 120.431 120.500 -0.048 0.000 2.831 112 R HA 0.759 5.102 4.340 0.004 0.000 0.266 112 R C -1.677 174.542 176.300 -0.135 0.000 1.051 112 R CA -1.014 55.036 56.100 -0.082 0.000 0.943 112 R CB 1.945 32.201 30.300 -0.074 0.000 1.228 112 R HN 0.217 nan 8.270 nan 0.000 0.467 113 I N 1.796 122.272 120.570 -0.157 0.000 2.497 113 I HA 0.236 4.409 4.170 0.004 0.000 0.284 113 I C -0.655 175.357 176.117 -0.175 0.000 1.060 113 I CA -1.252 59.928 61.300 -0.199 0.000 1.071 113 I CB 2.321 40.191 38.000 -0.217 0.000 1.216 113 I HN 0.315 nan 8.210 nan 0.000 0.442 114 V N 5.202 125.005 119.914 -0.184 0.000 2.470 114 V HA 0.331 4.454 4.120 0.004 0.000 0.276 114 V C 0.630 176.652 176.094 -0.121 0.000 1.040 114 V CA 0.120 62.332 62.300 -0.147 0.000 1.008 114 V CB 0.848 32.569 31.823 -0.170 0.000 0.990 114 V HN 0.896 nan 8.190 nan 0.000 0.477 115 T N 2.837 117.350 114.554 -0.068 0.000 2.906 115 T HA 0.514 4.867 4.350 0.004 0.000 0.295 115 T C -2.346 172.355 174.700 0.000 0.000 1.075 115 T CA -2.107 59.985 62.100 -0.014 0.000 1.005 115 T CB 2.499 71.405 68.868 0.065 0.000 1.136 115 T HN 0.294 nan 8.240 nan 0.000 0.498 116 P HA 0.129 nan 4.420 nan 0.000 0.222 116 P C 1.408 178.710 177.300 0.004 0.000 1.147 116 P CA 0.804 63.904 63.100 -0.000 0.000 0.790 116 P CB -0.178 31.523 31.700 0.002 0.000 0.780 117 G N -1.337 107.476 108.800 0.022 0.000 3.042 117 G HA2 -0.013 3.950 3.960 0.004 0.000 0.212 117 G HA3 -0.013 3.950 3.960 0.004 0.000 0.212 117 G C 0.882 175.791 174.900 0.016 0.000 1.166 117 G CA 0.710 45.819 45.100 0.014 0.000 0.767 117 G HN 0.369 nan 8.290 nan 0.000 0.546 118 T N -1.424 113.139 114.554 0.015 0.000 3.111 118 T HA 0.317 4.670 4.350 0.004 0.000 0.284 118 T C 0.874 175.558 174.700 -0.026 0.000 0.983 118 T CA -0.526 61.571 62.100 -0.005 0.000 0.900 118 T CB -0.381 68.481 68.868 -0.010 0.000 1.132 118 T HN 0.248 nan 8.240 nan 0.000 0.531 119 I N 1.504 122.059 120.570 -0.026 0.000 2.752 119 I HA 0.494 4.667 4.170 0.004 0.000 0.287 119 I C 0.743 176.841 176.117 -0.032 0.000 1.188 119 I CA -0.106 61.173 61.300 -0.035 0.000 1.427 119 I CB 0.667 38.648 38.000 -0.032 0.000 1.365 119 I HN 0.220 nan 8.210 nan 0.000 0.585 120 S N 1.412 117.089 115.700 -0.040 0.000 3.093 120 S HA 0.313 4.786 4.470 0.004 0.000 0.251 120 S C -0.540 174.032 174.600 -0.047 0.000 0.905 120 S CA -0.775 57.398 58.200 -0.045 0.000 1.124 120 S CB -0.219 62.945 63.200 -0.060 0.000 1.124 120 S HN 0.724 nan 8.310 nan 0.000 0.574 121 D N 1.812 122.189 120.400 -0.038 0.000 2.248 121 D HA 0.262 4.905 4.640 0.004 0.000 0.246 121 D C 0.831 177.114 176.300 -0.029 0.000 1.027 121 D CA -0.381 53.600 54.000 -0.032 0.000 0.853 121 D CB 1.940 42.723 40.800 -0.028 0.000 1.243 121 D HN 0.385 nan 8.370 nan 0.000 0.462 122 E N 1.806 121.990 120.200 -0.026 0.000 2.160 122 E HA -0.219 4.134 4.350 0.004 0.000 0.195 122 E C 1.419 178.004 176.600 -0.025 0.000 0.991 122 E CA 1.211 57.596 56.400 -0.025 0.000 0.810 122 E CB 0.213 29.898 29.700 -0.024 0.000 0.742 122 E HN 0.496 nan 8.360 nan 0.000 0.466 123 A N 0.195 123.000 122.820 -0.025 0.000 2.072 123 A HA 0.035 4.358 4.320 0.004 0.000 0.216 123 A C 1.923 179.492 177.584 -0.027 0.000 1.156 123 A CA 0.429 52.450 52.037 -0.026 0.000 0.701 123 A CB -0.104 18.880 19.000 -0.027 0.000 0.816 123 A HN 0.285 nan 8.150 nan 0.000 0.458 124 L N -1.026 120.182 121.223 -0.026 0.000 2.477 124 L HA 0.258 4.601 4.340 0.004 0.000 0.220 124 L C 0.522 177.378 176.870 -0.022 0.000 1.106 124 L CA -0.043 54.781 54.840 -0.026 0.000 0.851 124 L CB -0.317 41.725 42.059 -0.029 0.000 0.994 124 L HN 0.217 nan 8.230 nan 0.000 0.462 125 L N -0.376 120.834 121.223 -0.022 0.000 2.416 125 L HA 0.335 4.677 4.340 0.004 0.000 0.263 125 L C 0.003 176.863 176.870 -0.016 0.000 1.065 125 L CA -0.549 54.280 54.840 -0.018 0.000 0.798 125 L CB 1.005 43.053 42.059 -0.019 0.000 1.267 125 L HN 0.038 nan 8.230 nan 0.000 0.467 126 Q N 0.441 120.234 119.800 -0.013 0.000 2.316 126 Q HA 0.219 4.561 4.340 0.004 0.000 0.264 126 Q C 0.075 176.069 176.000 -0.011 0.000 0.987 126 Q CA -0.496 55.300 55.803 -0.011 0.000 0.852 126 Q CB 2.329 31.062 28.738 -0.008 0.000 1.287 126 Q HN 0.560 nan 8.270 nan 0.000 0.448 127 E N 1.617 121.810 120.200 -0.013 0.000 2.070 127 E HA -0.198 4.155 4.350 0.004 0.000 0.197 127 E C 0.334 176.928 176.600 -0.011 0.000 1.004 127 E CA 1.231 57.623 56.400 -0.013 0.000 0.805 127 E CB 0.193 29.884 29.700 -0.014 0.000 0.744 127 E HN 0.338 nan 8.360 nan 0.000 0.451 128 R N 0.604 121.099 120.500 -0.009 0.000 3.039 128 R HA 0.244 4.587 4.340 0.004 0.000 0.336 128 R C -0.453 175.846 176.300 -0.000 0.000 1.258 128 R CA -0.025 56.070 56.100 -0.007 0.000 1.125 128 R CB 0.589 30.885 30.300 -0.007 0.000 1.427 128 R HN 0.033 nan 8.270 nan 0.000 0.588 129 Q N 0.511 120.312 119.800 0.000 0.000 2.364 129 Q HA 0.120 4.463 4.340 0.004 0.000 0.251 129 Q C -1.618 174.385 176.000 0.005 0.000 0.927 129 Q CA -0.396 55.410 55.803 0.006 0.000 0.924 129 Q CB 1.814 30.554 28.738 0.004 0.000 1.419 129 Q HN 0.110 nan 8.270 nan 0.000 0.427 130 D N 1.471 121.877 120.400 0.010 0.000 2.382 130 D HA 0.088 4.731 4.640 0.004 0.000 0.240 130 D C -0.495 175.807 176.300 0.004 0.000 1.146 130 D CA 0.433 54.439 54.000 0.010 0.000 0.897 130 D CB 0.825 41.636 40.800 0.019 0.000 1.197 130 D HN 0.390 nan 8.370 nan 0.000 0.432 131 N N 1.599 120.300 118.700 0.002 0.000 2.617 131 N HA 0.236 4.979 4.740 0.004 0.000 0.263 131 N C -1.321 174.186 175.510 -0.005 0.000 1.074 131 N CA -0.355 52.693 53.050 -0.003 0.000 0.841 131 N CB 0.469 38.952 38.487 -0.006 0.000 1.221 131 N HN 0.197 nan 8.380 nan 0.000 0.529 132 L N 2.407 123.627 121.223 -0.005 0.000 2.307 132 L HA 0.503 4.845 4.340 0.004 0.000 0.282 132 L C -0.035 176.819 176.870 -0.027 0.000 1.051 132 L CA -1.171 53.661 54.840 -0.014 0.000 0.804 132 L CB 1.185 43.242 42.059 -0.003 0.000 1.197 132 L HN 0.347 nan 8.230 nan 0.000 0.431 133 L N 3.366 124.561 121.223 -0.046 0.000 2.418 133 L HA 0.745 5.087 4.340 0.004 0.000 0.265 133 L C -0.102 176.706 176.870 -0.104 0.000 1.143 133 L CA 0.306 55.106 54.840 -0.066 0.000 0.809 133 L CB 1.254 43.275 42.059 -0.063 0.000 1.124 133 L HN 0.769 nan 8.230 nan 0.000 0.456 134 A N 3.082 125.825 122.820 -0.127 0.000 2.612 134 A HA 0.927 5.249 4.320 0.004 0.000 0.293 134 A C -1.612 175.877 177.584 -0.159 0.000 1.075 134 A CA -0.152 51.773 52.037 -0.186 0.000 0.680 134 A CB 1.224 20.133 19.000 -0.152 0.000 1.279 134 A HN 1.316 nan 8.150 nan 0.000 0.411 135 A N 0.688 123.398 122.820 -0.183 0.000 2.393 135 A HA 0.820 5.143 4.320 0.004 0.000 0.306 135 A C -0.991 176.704 177.584 0.184 0.000 1.050 135 A CA -0.334 51.701 52.037 -0.003 0.000 0.724 135 A CB 0.958 19.922 19.000 -0.061 0.000 1.248 135 A HN 1.640 nan 8.150 nan 0.000 0.424 136 I N 2.545 123.343 120.570 0.380 0.000 2.730 136 I HA 0.844 5.017 4.170 0.004 0.000 0.298 136 I C -1.542 174.941 176.117 0.610 0.000 1.089 136 I CA -0.595 61.027 61.300 0.536 0.000 1.041 136 I CB 1.758 39.970 38.000 0.354 0.000 1.235 136 I HN 0.913 nan 8.210 nan 0.000 0.423 137 W N 6.742 128.298 121.300 0.427 0.000 3.066 137 W HA 0.482 5.145 4.660 0.004 0.000 0.330 137 W C -2.531 174.198 176.519 0.350 0.000 1.253 137 W CA -0.777 56.744 57.345 0.294 0.000 1.187 137 W CB 1.327 30.747 29.460 -0.067 0.000 1.434 137 W HN 0.603 nan 8.180 nan 0.000 0.572 138 Q N 2.404 121.868 119.800 -0.560 0.000 2.340 138 Q HA 0.311 4.653 4.340 0.004 0.000 0.268 138 Q C -1.348 173.807 176.000 -1.409 0.000 1.031 138 Q CA -0.447 54.718 55.803 -1.064 0.000 0.804 138 Q CB 2.542 30.652 28.738 -1.046 0.000 1.286 138 Q HN 0.435 nan 8.270 nan 0.000 0.448 139 D N -0.454 119.230 120.400 -1.193 0.000 2.437 139 D HA 0.219 4.861 4.640 0.004 0.000 0.259 139 D C 0.557 176.518 176.300 -0.563 0.000 1.118 139 D CA -0.097 53.414 54.000 -0.816 0.000 1.017 139 D CB 1.381 41.874 40.800 -0.510 0.000 1.120 139 D HN 0.489 nan 8.370 nan 0.000 0.541 140 S N -0.051 115.435 115.700 -0.356 0.000 2.474 140 S HA -0.110 4.363 4.470 0.004 0.000 0.235 140 S C 0.725 175.176 174.600 -0.247 0.000 0.997 140 S CA 1.024 59.066 58.200 -0.264 0.000 0.949 140 S CB -0.099 63.003 63.200 -0.162 0.000 0.766 140 S HN 0.390 nan 8.310 nan 0.000 0.517 141 K N 0.287 120.536 120.400 -0.252 0.000 2.533 141 K HA 0.523 4.846 4.320 0.004 0.000 0.202 141 K C 0.635 177.115 176.600 -0.200 0.000 1.096 141 K CA 0.092 56.266 56.287 -0.187 0.000 1.056 141 K CB 1.412 33.845 32.500 -0.112 0.000 0.890 141 K HN 0.255 nan 8.250 nan 0.000 0.552 142 G N 0.181 108.774 108.800 -0.345 0.000 2.485 142 G HA2 0.433 4.395 3.960 0.004 0.000 0.182 142 G HA3 0.433 4.395 3.960 0.004 0.000 0.182 142 G C -1.852 172.658 174.900 -0.651 0.000 1.172 142 G CA -0.822 44.099 45.100 -0.298 0.000 0.996 142 G HN -0.008 nan 8.290 nan 0.000 0.496 143 F N 0.681 120.572 119.950 -0.098 0.000 2.573 143 F HA 0.628 5.158 4.527 0.004 0.000 0.316 143 F C 0.642 176.508 175.800 0.111 0.000 1.148 143 F CA -0.178 57.793 58.000 -0.049 0.000 0.940 143 F CB 2.470 41.476 39.000 0.010 0.000 1.214 143 F HN 0.724 nan 8.300 nan 0.000 0.448 144 G N 1.431 110.469 108.800 0.396 0.000 2.425 144 G HA2 0.502 4.464 3.960 0.004 0.000 0.302 144 G HA3 0.502 4.464 3.960 0.004 0.000 0.302 144 G C -2.329 172.987 174.900 0.694 0.000 1.159 144 G CA -0.393 45.094 45.100 0.644 0.000 0.865 144 G HN 0.578 nan 8.290 nan 0.000 0.515 145 Y N -0.217 120.291 120.300 0.347 0.000 2.521 145 Y HA 0.558 5.110 4.550 0.004 0.000 0.328 145 Y C -0.773 175.238 175.900 0.185 0.000 1.151 145 Y CA -0.719 57.535 58.100 0.257 0.000 1.054 145 Y CB 1.626 40.201 38.460 0.191 0.000 1.338 145 Y HN 0.996 nan 8.280 nan 0.000 0.453 146 A N 2.669 125.251 122.820 -0.397 0.000 2.549 146 A HA 0.826 5.148 4.320 0.004 0.000 0.297 146 A C -1.148 176.200 177.584 -0.393 0.000 1.061 146 A CA -0.248 51.646 52.037 -0.239 0.000 0.690 146 A CB 1.425 20.438 19.000 0.023 0.000 1.287 146 A HN 0.994 nan 8.150 nan 0.000 0.402 147 T N -0.484 113.987 114.554 -0.139 0.000 2.886 147 T HA 0.673 5.025 4.350 0.004 0.000 0.292 147 T C -1.013 173.699 174.700 0.019 0.000 1.012 147 T CA -0.581 61.456 62.100 -0.104 0.000 0.982 147 T CB 1.298 70.127 68.868 -0.066 0.000 1.018 147 T HN 1.163 nan 8.240 nan 0.000 0.451 148 L N 1.877 123.043 121.223 -0.095 0.000 2.362 148 L HA 0.753 5.095 4.340 0.004 0.000 0.271 148 L C -1.177 175.647 176.870 -0.076 0.000 1.002 148 L CA -0.419 54.329 54.840 -0.154 0.000 0.818 148 L CB 2.053 43.896 42.059 -0.360 0.000 1.298 148 L HN 0.916 nan 8.230 nan 0.000 0.420 149 D N 3.704 124.082 120.400 -0.038 0.000 2.477 149 D HA 0.195 4.838 4.640 0.004 0.000 0.239 149 D C 1.113 177.414 176.300 0.002 0.000 1.102 149 D CA -0.059 53.936 54.000 -0.007 0.000 0.901 149 D CB 0.376 41.189 40.800 0.022 0.000 1.026 149 D HN 0.615 nan 8.370 nan 0.000 0.515 150 I N 2.021 122.587 120.570 -0.006 0.000 2.567 150 I HA -0.202 3.971 4.170 0.004 0.000 0.257 150 I C 0.983 177.177 176.117 0.129 0.000 1.184 150 I CA 0.922 62.251 61.300 0.047 0.000 1.451 150 I CB 0.192 38.202 38.000 0.016 0.000 1.089 150 I HN 0.346 nan 8.210 nan 0.000 0.441 151 S N -1.295 114.436 115.700 0.052 0.000 2.614 151 S HA 0.121 4.594 4.470 0.004 0.000 0.230 151 S C 1.040 175.663 174.600 0.039 0.000 0.952 151 S CA 0.215 58.422 58.200 0.012 0.000 0.949 151 S CB 0.083 63.272 63.200 -0.018 0.000 0.786 151 S HN 0.550 nan 8.310 nan 0.000 0.478 152 S N -0.999 114.767 115.700 0.110 0.000 2.615 152 S HA 0.492 4.965 4.470 0.004 0.000 0.277 152 S C 1.341 176.046 174.600 0.174 0.000 1.068 152 S CA 0.434 58.705 58.200 0.119 0.000 1.315 152 S CB -0.128 63.114 63.200 0.070 0.000 1.193 152 S HN 1.244 nan 8.310 nan 0.000 0.656 153 G N 1.977 110.882 108.800 0.175 0.000 2.176 153 G HA2 -0.297 3.665 3.960 0.004 0.000 0.253 153 G HA3 -0.297 3.665 3.960 0.004 0.000 0.253 153 G C 0.069 174.983 174.900 0.024 0.000 0.979 153 G CA 0.137 45.239 45.100 0.004 0.000 0.641 153 G HN 0.679 nan 8.290 nan 0.000 0.530 154 R N 0.094 120.631 120.500 0.062 0.000 2.446 154 R HA 0.358 4.701 4.340 0.004 0.000 0.314 154 R C -0.929 175.459 176.300 0.145 0.000 1.003 154 R CA -0.106 56.049 56.100 0.092 0.000 1.018 154 R CB -0.166 30.183 30.300 0.083 0.000 0.945 154 R HN 0.112 nan 8.270 nan 0.000 0.419 155 F N 5.853 125.781 119.950 -0.036 0.000 2.646 155 F HA 0.401 4.931 4.527 0.004 0.000 0.364 155 F C -0.860 174.917 175.800 -0.040 0.000 1.137 155 F CA -1.137 56.837 58.000 -0.043 0.000 1.085 155 F CB 0.494 39.470 39.000 -0.040 0.000 1.331 155 F HN 0.423 nan 8.300 nan 0.000 0.472 156 R N 5.149 125.790 120.500 0.235 0.000 2.720 156 R HA 0.712 5.054 4.340 0.004 0.000 0.272 156 R C -0.935 175.374 176.300 0.015 0.000 0.991 156 R CA -0.949 55.183 56.100 0.054 0.000 1.010 156 R CB 2.818 33.163 30.300 0.076 0.000 1.141 156 R HN 0.773 nan 8.270 nan 0.000 0.494 157 L N -1.152 120.056 121.223 -0.025 0.000 2.359 157 L HA 0.742 5.085 4.340 0.004 0.000 0.256 157 L C -0.968 175.953 176.870 0.084 0.000 1.026 157 L CA -0.445 54.400 54.840 0.010 0.000 0.828 157 L CB 2.503 44.523 42.059 -0.064 0.000 1.406 157 L HN 0.890 nan 8.230 nan 0.000 0.413 158 S N 0.560 116.355 115.700 0.158 0.000 2.615 158 S HA 0.521 4.993 4.470 0.004 0.000 0.268 158 S C -1.501 173.232 174.600 0.221 0.000 1.146 158 S CA -0.850 57.456 58.200 0.177 0.000 0.818 158 S CB 1.828 65.148 63.200 0.200 0.000 1.111 158 S HN 0.799 nan 8.310 nan 0.000 0.465 159 E N 0.713 121.018 120.200 0.176 0.000 3.117 159 E HA 0.341 4.693 4.350 0.004 0.000 0.262 159 E C -2.986 173.706 176.600 0.153 0.000 1.202 159 E CA -1.648 54.868 56.400 0.193 0.000 0.853 159 E CB 0.945 30.745 29.700 0.166 0.000 1.426 159 E HN 0.358 nan 8.360 nan 0.000 0.387 160 P HA -0.119 nan 4.420 nan 0.000 0.261 160 P C 0.446 177.844 177.300 0.163 0.000 1.173 160 P CA 0.350 63.507 63.100 0.095 0.000 0.760 160 P CB 0.921 32.615 31.700 -0.010 0.000 0.783 161 A N 3.448 126.330 122.820 0.103 0.000 1.970 161 A HA -0.006 4.316 4.320 0.004 0.000 0.216 161 A C 0.548 178.214 177.584 0.136 0.000 1.170 161 A CA 1.434 53.531 52.037 0.100 0.000 0.645 161 A CB -0.600 18.433 19.000 0.054 0.000 0.816 161 A HN 0.681 nan 8.150 nan 0.000 0.447 162 D N -4.172 116.302 120.400 0.124 0.000 2.592 162 D HA 0.396 5.039 4.640 0.004 0.000 0.263 162 D C 0.646 176.963 176.300 0.028 0.000 1.132 162 D CA -0.826 53.246 54.000 0.119 0.000 0.996 162 D CB 0.587 41.418 40.800 0.050 0.000 1.442 162 D HN -0.092 nan 8.370 nan 0.000 0.486 163 R N -0.563 119.957 120.500 0.032 0.000 2.091 163 R HA -0.199 4.144 4.340 0.004 0.000 0.238 163 R C 1.180 177.378 176.300 -0.169 0.000 1.136 163 R CA 1.653 57.686 56.100 -0.113 0.000 0.959 163 R CB -0.026 30.258 30.300 -0.026 0.000 0.856 163 R HN 0.525 nan 8.270 nan 0.000 0.437 164 E N -0.815 119.335 120.200 -0.084 0.000 2.158 164 E HA -0.050 4.302 4.350 0.004 0.000 0.191 164 E C 1.762 178.297 176.600 -0.108 0.000 0.982 164 E CA 1.422 57.778 56.400 -0.074 0.000 0.823 164 E CB 0.008 29.705 29.700 -0.005 0.000 0.766 164 E HN 0.263 nan 8.360 nan 0.000 0.468 165 T N 0.363 114.854 114.554 -0.106 0.000 2.777 165 T HA -0.163 4.190 4.350 0.004 0.000 0.266 165 T C 1.709 176.286 174.700 -0.205 0.000 1.040 165 T CA 1.405 63.431 62.100 -0.124 0.000 1.141 165 T CB -0.210 68.613 68.868 -0.075 0.000 0.868 165 T HN 0.101 nan 8.240 nan 0.000 0.444 166 M N 1.789 121.200 119.600 -0.315 0.000 2.117 166 M HA 0.088 4.570 4.480 0.004 0.000 0.262 166 M C 2.285 178.355 176.300 -0.384 0.000 1.065 166 M CA 1.369 56.380 55.300 -0.482 0.000 1.114 166 M CB -0.736 31.290 32.600 -0.957 0.000 1.361 166 M HN 0.208 nan 8.290 nan 0.000 0.408 167 A N -0.532 122.114 122.820 -0.290 0.000 1.969 167 A HA 0.100 4.422 4.320 0.004 0.000 0.218 167 A C 2.334 179.819 177.584 -0.165 0.000 1.169 167 A CA 1.767 53.684 52.037 -0.201 0.000 0.635 167 A CB -1.286 17.629 19.000 -0.142 0.000 0.810 167 A HN 0.614 nan 8.150 nan 0.000 0.445 168 A N -0.379 122.346 122.820 -0.158 0.000 1.902 168 A HA -0.145 4.178 4.320 0.004 0.000 0.217 168 A C 1.975 179.473 177.584 -0.143 0.000 1.181 168 A CA 1.618 53.578 52.037 -0.127 0.000 0.623 168 A CB -0.379 18.550 19.000 -0.119 0.000 0.818 168 A HN 0.452 nan 8.150 nan 0.000 0.443 169 E N -0.153 119.924 120.200 -0.206 0.000 2.152 169 E HA -0.080 4.273 4.350 0.004 0.000 0.192 169 E C 2.053 178.508 176.600 -0.242 0.000 0.983 169 E CA 0.732 56.994 56.400 -0.231 0.000 0.818 169 E CB -0.284 29.199 29.700 -0.361 0.000 0.758 169 E HN 0.674 nan 8.360 nan 0.000 0.467 170 L N 0.705 121.760 121.223 -0.279 0.000 2.027 170 L HA -0.191 4.151 4.340 0.004 0.000 0.206 170 L C 2.850 179.664 176.870 -0.094 0.000 1.074 170 L CA 1.290 56.030 54.840 -0.166 0.000 0.745 170 L CB -0.463 41.500 42.059 -0.161 0.000 0.898 170 L HN 0.116 nan 8.230 nan 0.000 0.433 171 Q N 0.264 120.000 119.800 -0.106 0.000 2.135 171 Q HA -0.271 4.072 4.340 0.004 0.000 0.204 171 Q C 2.375 178.303 176.000 -0.121 0.000 0.981 171 Q CA 1.654 57.405 55.803 -0.087 0.000 0.856 171 Q CB 0.032 28.729 28.738 -0.069 0.000 0.902 171 Q HN 0.336 nan 8.270 nan 0.000 0.425 172 R N -0.521 119.899 120.500 -0.134 0.000 2.073 172 R HA -0.098 4.245 4.340 0.004 0.000 0.229 172 R C 2.243 178.417 176.300 -0.210 0.000 1.120 172 R CA 1.929 57.898 56.100 -0.219 0.000 0.967 172 R CB -0.096 30.139 30.300 -0.108 0.000 0.862 172 R HN 0.437 nan 8.270 nan 0.000 0.436 173 T N -2.447 112.066 114.554 -0.068 0.000 3.010 173 T HA -0.006 4.347 4.350 0.004 0.000 0.252 173 T C 0.598 175.298 174.700 0.000 0.000 1.047 173 T CA 0.438 62.542 62.100 0.006 0.000 1.140 173 T CB -0.202 68.751 68.868 0.141 0.000 0.885 173 T HN 0.381 nan 8.240 nan 0.000 0.464 174 N N 2.374 121.073 118.700 -0.001 0.000 2.648 174 N HA -0.088 4.654 4.740 0.004 0.000 0.265 174 N C -2.871 172.643 175.510 0.007 0.000 1.100 174 N CA 0.338 53.380 53.050 -0.012 0.000 0.715 174 N CB -0.805 37.658 38.487 -0.040 0.000 0.881 174 N HN 0.375 nan 8.380 nan 0.000 0.548 175 P HA 0.207 nan 4.420 nan 0.000 0.282 175 P C 0.617 177.918 177.300 0.002 0.000 1.262 175 P CA 0.101 63.212 63.100 0.018 0.000 0.773 175 P CB 1.144 32.865 31.700 0.035 0.000 0.879 176 A N 3.455 126.272 122.820 -0.004 0.000 1.986 176 A HA -0.174 4.148 4.320 0.004 0.000 0.220 176 A C 0.999 178.578 177.584 -0.007 0.000 1.171 176 A CA 1.428 53.462 52.037 -0.006 0.000 0.640 176 A CB -0.554 18.442 19.000 -0.005 0.000 0.811 176 A HN 0.697 nan 8.150 nan 0.000 0.451 177 E N -1.537 118.655 120.200 -0.014 0.000 2.340 177 E HA 0.639 4.992 4.350 0.004 0.000 0.273 177 E C -1.759 174.814 176.600 -0.045 0.000 0.891 177 E CA -0.638 55.746 56.400 -0.027 0.000 0.757 177 E CB 1.401 31.087 29.700 -0.023 0.000 1.231 177 E HN 0.175 nan 8.360 nan 0.000 0.439 178 L N 5.939 127.136 121.223 -0.044 0.000 2.485 178 L HA 0.379 4.721 4.340 0.004 0.000 0.260 178 L C -1.188 175.677 176.870 -0.009 0.000 0.998 178 L CA -0.661 54.165 54.840 -0.024 0.000 0.883 178 L CB 0.817 42.876 42.059 -0.000 0.000 1.196 178 L HN 0.570 nan 8.230 nan 0.000 0.443 179 L N 4.670 125.831 121.223 -0.104 0.000 2.416 179 L HA 0.267 4.610 4.340 0.004 0.000 0.272 179 L C -0.536 176.432 176.870 0.165 0.000 1.161 179 L CA -0.008 54.776 54.840 -0.094 0.000 0.845 179 L CB 0.028 41.902 42.059 -0.309 0.000 1.119 179 L HN 0.438 nan 8.230 nan 0.000 0.464 180 Y N 1.258 121.577 120.300 0.032 0.000 2.534 180 Y HA 0.807 5.360 4.550 0.004 0.000 0.345 180 Y C -0.390 175.490 175.900 -0.032 0.000 1.031 180 Y CA -1.655 56.440 58.100 -0.008 0.000 1.022 180 Y CB 0.955 39.247 38.460 -0.280 0.000 1.292 180 Y HN 0.659 nan 8.280 nan 0.000 0.459 181 A N 2.682 125.302 122.820 -0.334 0.000 2.445 181 A HA 0.199 4.521 4.320 0.004 0.000 0.242 181 A C 1.262 178.681 177.584 -0.275 0.000 1.075 181 A CA 0.116 51.779 52.037 -0.623 0.000 0.777 181 A CB 0.149 18.618 19.000 -0.885 0.000 1.013 181 A HN 1.038 nan 8.150 nan 0.000 0.493 182 E N 1.002 121.067 120.200 -0.225 0.000 2.268 182 E HA -0.206 4.146 4.350 0.004 0.000 0.195 182 E C 0.269 176.885 176.600 0.027 0.000 0.995 182 E CA 1.431 57.754 56.400 -0.128 0.000 0.836 182 E CB -0.047 29.609 29.700 -0.074 0.000 0.763 182 E HN 0.744 nan 8.360 nan 0.000 0.491 183 D N 0.128 120.559 120.400 0.051 0.000 2.368 183 D HA -0.054 4.588 4.640 0.004 0.000 0.218 183 D C -0.038 176.317 176.300 0.092 0.000 1.112 183 D CA -0.689 53.352 54.000 0.068 0.000 0.834 183 D CB -0.843 39.978 40.800 0.035 0.000 0.953 183 D HN 0.086 nan 8.370 nan 0.000 0.505 184 F N 1.547 121.515 119.950 0.030 0.000 2.602 184 F HA 0.271 4.800 4.527 0.004 0.000 0.385 184 F C 1.453 177.270 175.800 0.029 0.000 1.063 184 F CA -0.006 58.020 58.000 0.043 0.000 1.233 184 F CB 1.113 40.243 39.000 0.217 0.000 1.067 184 F HN 0.046 nan 8.300 nan 0.000 0.564 185 A N 4.343 126.918 122.820 -0.408 0.000 1.861 185 A HA -0.001 4.321 4.320 0.004 0.000 0.212 185 A C 1.157 178.632 177.584 -0.183 0.000 1.199 185 A CA 0.517 52.404 52.037 -0.249 0.000 0.613 185 A CB -0.351 18.477 19.000 -0.287 0.000 0.846 185 A HN 0.621 nan 8.150 nan 0.000 0.446 186 E N 1.232 121.213 120.200 -0.365 0.000 2.053 186 E HA 0.074 4.426 4.350 0.004 0.000 0.297 186 E C 0.413 177.145 176.600 0.219 0.000 1.173 186 E CA -0.101 56.261 56.400 -0.063 0.000 1.219 186 E CB 0.171 29.875 29.700 0.006 0.000 1.103 186 E HN 0.385 nan 8.360 nan 0.000 0.476 187 M N -0.173 119.532 119.600 0.174 0.000 2.549 187 M HA -0.089 4.394 4.480 0.004 0.000 0.260 187 M C 1.669 178.009 176.300 0.066 0.000 1.076 187 M CA 0.620 56.006 55.300 0.144 0.000 1.090 187 M CB -0.937 31.713 32.600 0.083 0.000 1.418 187 M HN 0.077 nan 8.290 nan 0.000 0.486 188 S N 1.163 116.898 115.700 0.058 0.000 2.370 188 S HA -0.112 4.361 4.470 0.004 0.000 0.226 188 S C 2.034 176.641 174.600 0.011 0.000 1.033 188 S CA 1.145 59.358 58.200 0.023 0.000 1.011 188 S CB -0.689 62.517 63.200 0.010 0.000 0.852 188 S HN 0.497 nan 8.310 nan 0.000 0.457 189 L N -0.270 120.976 121.223 0.037 0.000 2.046 189 L HA -0.023 4.319 4.340 0.004 0.000 0.208 189 L C 2.313 179.156 176.870 -0.045 0.000 1.077 189 L CA 1.190 56.026 54.840 -0.008 0.000 0.747 189 L CB -0.409 41.654 42.059 0.007 0.000 0.896 189 L HN 0.247 nan 8.230 nan 0.000 0.432 190 I N -1.670 118.865 120.570 -0.058 0.000 3.339 190 I HA 0.033 4.205 4.170 0.004 0.000 0.285 190 I C 1.258 177.255 176.117 -0.199 0.000 1.201 190 I CA 0.210 61.392 61.300 -0.196 0.000 1.434 190 I CB 0.274 38.008 38.000 -0.443 0.000 1.152 190 I HN 0.048 nan 8.210 nan 0.000 0.443 191 E N 0.876 120.991 120.200 -0.142 0.000 2.437 191 E HA 0.135 4.487 4.350 0.004 0.000 0.263 191 E C 1.123 177.683 176.600 -0.067 0.000 1.030 191 E CA 1.083 57.423 56.400 -0.101 0.000 0.934 191 E CB 0.151 29.823 29.700 -0.048 0.000 0.943 191 E HN 0.443 nan 8.360 nan 0.000 0.444 192 G N 3.105 111.874 108.800 -0.051 0.000 2.168 192 G HA2 -0.316 3.646 3.960 0.004 0.000 0.263 192 G HA3 -0.316 3.646 3.960 0.004 0.000 0.263 192 G C 0.401 175.279 174.900 -0.037 0.000 0.977 192 G CA 0.453 45.534 45.100 -0.032 0.000 0.659 192 G HN 0.426 nan 8.290 nan 0.000 0.533 193 R N 0.077 120.543 120.500 -0.056 0.000 2.543 193 R HA 0.497 4.839 4.340 0.004 0.000 0.268 193 R C 1.027 177.308 176.300 -0.032 0.000 1.067 193 R CA -0.365 55.707 56.100 -0.047 0.000 1.142 193 R CB 0.551 30.813 30.300 -0.063 0.000 1.110 193 R HN 0.584 nan 8.270 nan 0.000 0.549 194 R N -0.996 119.492 120.500 -0.021 0.000 2.531 194 R HA 0.370 4.713 4.340 0.004 0.000 0.273 194 R C 0.507 176.802 176.300 -0.008 0.000 1.070 194 R CA 0.091 56.185 56.100 -0.010 0.000 1.112 194 R CB 0.341 30.638 30.300 -0.006 0.000 1.049 194 R HN 0.761 nan 8.270 nan 0.000 0.508 195 G N 1.160 109.960 108.800 0.001 0.000 2.305 195 G HA2 -0.265 3.697 3.960 0.004 0.000 0.287 195 G HA3 -0.265 3.697 3.960 0.004 0.000 0.287 195 G C -0.402 174.502 174.900 0.008 0.000 1.036 195 G CA 0.093 45.197 45.100 0.006 0.000 0.887 195 G HN 0.425 nan 8.290 nan 0.000 0.505 196 L N 0.242 121.475 121.223 0.015 0.000 2.416 196 L HA 0.589 4.932 4.340 0.004 0.000 0.272 196 L C 0.533 177.466 176.870 0.105 0.000 1.161 196 L CA 0.032 54.897 54.840 0.043 0.000 0.845 196 L CB 0.671 42.733 42.059 0.006 0.000 1.119 196 L HN 0.225 nan 8.230 nan 0.000 0.464 197 R N 4.405 125.006 120.500 0.168 0.000 2.521 197 R HA 0.279 4.622 4.340 0.004 0.000 0.295 197 R C -0.713 175.603 176.300 0.027 0.000 1.183 197 R CA -0.620 55.529 56.100 0.082 0.000 0.957 197 R CB 1.016 31.281 30.300 -0.058 0.000 1.171 197 R HN 0.563 nan 8.270 nan 0.000 0.494 198 R N 2.820 123.282 120.500 -0.063 0.000 2.316 198 R HA 0.215 4.558 4.340 0.004 0.000 0.314 198 R C -0.429 175.682 176.300 -0.315 0.000 1.069 198 R CA -0.138 55.645 56.100 -0.528 0.000 0.959 198 R CB 0.530 30.655 30.300 -0.292 0.000 0.987 198 R HN 0.276 nan 8.270 nan 0.000 0.446 199 R N 5.137 125.427 120.500 -0.351 0.000 2.711 199 R HA 0.457 4.799 4.340 0.004 0.000 0.284 199 R C -2.538 173.686 176.300 -0.128 0.000 0.968 199 R CA -2.650 53.355 56.100 -0.158 0.000 0.924 199 R CB 1.383 31.642 30.300 -0.069 0.000 1.162 199 R HN 0.559 nan 8.270 nan 0.000 0.465 200 P HA 0.133 nan 4.420 nan 0.000 0.275 200 P C 1.008 178.258 177.300 -0.082 0.000 1.228 200 P CA -0.387 62.663 63.100 -0.083 0.000 0.786 200 P CB 0.932 32.627 31.700 -0.008 0.000 0.927 201 L N 1.987 123.230 121.223 0.034 0.000 2.064 201 L HA -0.202 4.140 4.340 0.004 0.000 0.216 201 L C 2.507 179.456 176.870 0.131 0.000 1.077 201 L CA 1.924 56.821 54.840 0.095 0.000 0.766 201 L CB -0.751 41.381 42.059 0.122 0.000 0.890 201 L HN 0.614 nan 8.230 nan 0.000 0.435 202 W N 0.491 121.846 121.300 0.092 0.000 2.331 202 W HA -0.217 4.446 4.660 0.004 0.000 0.291 202 W C 1.562 178.099 176.519 0.030 0.000 1.214 202 W CA 1.054 58.428 57.345 0.049 0.000 1.228 202 W CB -0.992 28.480 29.460 0.020 0.000 1.135 202 W HN 0.283 nan 8.180 nan 0.000 0.537 203 E N 0.164 119.966 120.200 -0.663 0.000 2.265 203 E HA -0.143 4.209 4.350 0.004 0.000 0.196 203 E C 1.342 177.654 176.600 -0.480 0.000 0.996 203 E CA 1.163 57.124 56.400 -0.732 0.000 0.832 203 E CB -0.464 28.672 29.700 -0.940 0.000 0.756 203 E HN 0.278 nan 8.360 nan 0.000 0.491 204 F N 0.886 120.633 119.950 -0.339 0.000 2.693 204 F HA 0.106 4.636 4.527 0.004 0.000 0.303 204 F C 0.788 176.344 175.800 -0.408 0.000 1.097 204 F CA -0.275 57.460 58.000 -0.440 0.000 1.330 204 F CB 0.146 38.792 39.000 -0.590 0.000 1.067 204 F HN -0.144 nan 8.300 nan 0.000 0.565 205 E N 1.232 121.397 120.200 -0.058 0.000 2.415 205 E HA -0.029 4.324 4.350 0.004 0.000 0.263 205 E C 1.220 177.783 176.600 -0.063 0.000 0.995 205 E CA 0.052 56.438 56.400 -0.023 0.000 0.915 205 E CB 0.529 30.276 29.700 0.078 0.000 0.951 205 E HN 0.259 nan 8.360 nan 0.000 0.449 206 I N 3.873 124.410 120.570 -0.055 0.000 2.202 206 I HA -0.199 3.973 4.170 0.004 0.000 0.242 206 I C 0.960 177.062 176.117 -0.025 0.000 1.091 206 I CA 1.587 62.858 61.300 -0.049 0.000 1.368 206 I CB -0.251 37.742 38.000 -0.012 0.000 1.058 206 I HN 0.665 nan 8.210 nan 0.000 0.410 207 D N -0.269 120.129 120.400 -0.004 0.000 2.218 207 D HA -0.146 4.496 4.640 0.004 0.000 0.204 207 D C 2.142 178.439 176.300 -0.005 0.000 0.976 207 D CA 1.622 55.622 54.000 0.001 0.000 0.853 207 D CB -0.304 40.502 40.800 0.010 0.000 0.939 207 D HN 0.375 nan 8.370 nan 0.000 0.481 208 T N 0.339 114.891 114.554 -0.003 0.000 2.851 208 T HA 0.001 4.354 4.350 0.004 0.000 0.262 208 T C 2.040 176.718 174.700 -0.037 0.000 1.043 208 T CA 1.108 63.208 62.100 0.000 0.000 1.140 208 T CB -0.114 68.780 68.868 0.044 0.000 0.872 208 T HN 0.174 nan 8.240 nan 0.000 0.446 209 A N 2.037 124.818 122.820 -0.065 0.000 1.877 209 A HA -0.133 4.190 4.320 0.004 0.000 0.216 209 A C 2.375 179.911 177.584 -0.079 0.000 1.186 209 A CA 1.423 53.403 52.037 -0.096 0.000 0.620 209 A CB -0.505 18.423 19.000 -0.120 0.000 0.822 209 A HN 0.366 nan 8.150 nan 0.000 0.443 210 R N -1.144 119.326 120.500 -0.050 0.000 2.073 210 R HA -0.159 4.184 4.340 0.004 0.000 0.234 210 R C 2.586 178.862 176.300 -0.041 0.000 1.134 210 R CA 1.410 57.490 56.100 -0.032 0.000 0.952 210 R CB -0.372 29.925 30.300 -0.006 0.000 0.850 210 R HN 0.633 nan 8.270 nan 0.000 0.433 211 Q N 0.864 120.643 119.800 -0.035 0.000 2.014 211 Q HA -0.229 4.114 4.340 0.004 0.000 0.207 211 Q C 2.048 178.010 176.000 -0.063 0.000 0.993 211 Q CA 1.775 57.558 55.803 -0.034 0.000 0.850 211 Q CB -0.050 28.675 28.738 -0.021 0.000 0.916 211 Q HN 0.356 nan 8.270 nan 0.000 0.417 212 Q N 0.034 119.785 119.800 -0.081 0.000 2.050 212 Q HA -0.111 4.231 4.340 0.004 0.000 0.202 212 Q C 2.438 178.310 176.000 -0.213 0.000 0.980 212 Q CA 1.157 56.889 55.803 -0.119 0.000 0.840 212 Q CB -0.348 28.325 28.738 -0.110 0.000 0.898 212 Q HN 0.404 nan 8.270 nan 0.000 0.424 213 L N 0.839 121.912 121.223 -0.250 0.000 2.005 213 L HA -0.186 4.157 4.340 0.004 0.000 0.207 213 L C 2.256 178.794 176.870 -0.554 0.000 1.072 213 L CA 0.854 55.399 54.840 -0.491 0.000 0.744 213 L CB -0.559 41.318 42.059 -0.303 0.000 0.895 213 L HN 0.221 nan 8.230 nan 0.000 0.433 214 N N 0.302 118.899 118.700 -0.171 0.000 2.060 214 N HA -0.250 4.492 4.740 0.004 0.000 0.195 214 N C 1.867 177.351 175.510 -0.043 0.000 1.028 214 N CA 1.731 54.778 53.050 -0.004 0.000 0.861 214 N CB -0.346 38.160 38.487 0.032 0.000 1.029 214 N HN 0.216 nan 8.380 nan 0.000 0.428 215 L N 1.402 122.566 121.223 -0.099 0.000 2.141 215 L HA -0.147 4.195 4.340 0.004 0.000 0.209 215 L C 2.376 179.193 176.870 -0.089 0.000 1.094 215 L CA 1.546 56.346 54.840 -0.066 0.000 0.763 215 L CB -0.393 41.628 42.059 -0.063 0.000 0.908 215 L HN 0.084 nan 8.230 nan 0.000 0.437 216 Q N -0.790 118.874 119.800 -0.227 0.000 2.123 216 Q HA -0.127 4.216 4.340 0.004 0.000 0.199 216 Q C 1.518 177.488 176.000 -0.050 0.000 0.966 216 Q CA 1.816 57.480 55.803 -0.232 0.000 0.845 216 Q CB -0.271 28.201 28.738 -0.443 0.000 0.907 216 Q HN 0.515 nan 8.270 nan 0.000 0.439 217 F N -0.100 119.855 119.950 0.008 0.000 2.797 217 F HA 0.399 4.928 4.527 0.004 0.000 0.302 217 F C 1.367 177.232 175.800 0.109 0.000 1.130 217 F CA 0.124 58.152 58.000 0.047 0.000 1.387 217 F CB -0.422 38.593 39.000 0.023 0.000 1.107 217 F HN 0.179 nan 8.300 nan 0.000 0.577 218 G N 2.101 111.030 108.800 0.215 0.000 2.350 218 G HA2 -0.195 3.767 3.960 0.004 0.000 0.298 218 G HA3 -0.195 3.767 3.960 0.004 0.000 0.298 218 G C 0.112 175.112 174.900 0.167 0.000 1.037 218 G CA 0.535 45.725 45.100 0.151 0.000 1.074 218 G HN 0.548 nan 8.290 nan 0.000 0.511 219 T N -3.641 111.023 114.554 0.183 0.000 2.906 219 T HA 0.708 5.061 4.350 0.004 0.000 0.295 219 T C 1.137 175.901 174.700 0.107 0.000 1.075 219 T CA -0.735 61.461 62.100 0.160 0.000 1.005 219 T CB 1.792 70.813 68.868 0.254 0.000 1.136 219 T HN 0.168 nan 8.240 nan 0.000 0.498 220 R N 0.593 121.136 120.500 0.073 0.000 2.119 220 R HA 0.173 4.515 4.340 0.004 0.000 0.222 220 R C -0.030 176.305 176.300 0.057 0.000 1.088 220 R CA 1.159 57.289 56.100 0.051 0.000 0.984 220 R CB -0.191 30.128 30.300 0.031 0.000 0.884 220 R HN 0.870 nan 8.270 nan 0.000 0.447 221 D N -1.863 118.581 120.400 0.073 0.000 2.664 221 D HA 0.116 4.758 4.640 0.004 0.000 0.292 221 D C -0.052 176.331 176.300 0.139 0.000 1.214 221 D CA -0.761 53.288 54.000 0.083 0.000 0.932 221 D CB 0.505 41.334 40.800 0.048 0.000 1.420 221 D HN -0.161 nan 8.370 nan 0.000 0.471 222 L N 0.858 122.171 121.223 0.151 0.000 2.791 222 L HA 0.222 4.565 4.340 0.004 0.000 0.239 222 L C 1.494 178.452 176.870 0.147 0.000 1.203 222 L CA -0.240 54.755 54.840 0.259 0.000 1.002 222 L CB 0.378 42.587 42.059 0.250 0.000 1.295 222 L HN 0.273 nan 8.230 nan 0.000 0.504 223 V N 0.803 120.743 119.914 0.043 0.000 2.343 223 V HA -0.190 3.933 4.120 0.004 0.000 0.247 223 V C 2.431 178.478 176.094 -0.078 0.000 1.051 223 V CA 2.303 64.598 62.300 -0.008 0.000 1.036 223 V CB -0.435 31.377 31.823 -0.017 0.000 0.654 223 V HN 0.642 nan 8.190 nan 0.000 0.451 224 G N -1.553 107.123 108.800 -0.208 0.000 2.598 224 G HA2 -0.152 3.810 3.960 0.004 0.000 0.215 224 G HA3 -0.152 3.810 3.960 0.004 0.000 0.215 224 G C 1.075 175.701 174.900 -0.456 0.000 1.131 224 G CA 0.192 45.078 45.100 -0.356 0.000 0.785 224 G HN 0.530 nan 8.290 nan 0.000 0.539 225 F N 0.607 120.520 119.950 -0.061 0.000 2.765 225 F HA 0.321 4.851 4.527 0.004 0.000 0.302 225 F C 1.887 177.645 175.800 -0.070 0.000 1.111 225 F CA -0.508 57.433 58.000 -0.098 0.000 1.359 225 F CB 0.004 38.916 39.000 -0.148 0.000 1.097 225 F HN 0.134 nan 8.300 nan 0.000 0.577 226 G N 1.409 110.245 108.800 0.060 0.000 2.393 226 G HA2 -0.208 3.754 3.960 0.004 0.000 0.299 226 G HA3 -0.208 3.754 3.960 0.004 0.000 0.299 226 G C 0.624 175.558 174.900 0.056 0.000 0.990 226 G CA 0.767 45.890 45.100 0.039 0.000 1.118 226 G HN 0.679 nan 8.290 nan 0.000 0.513 227 V N -3.643 116.320 119.914 0.081 0.000 3.382 227 V HA 0.466 4.589 4.120 0.004 0.000 0.296 227 V C 1.687 177.817 176.094 0.061 0.000 1.529 227 V CA 1.208 63.544 62.300 0.060 0.000 1.048 227 V CB 0.669 32.516 31.823 0.040 0.000 0.878 227 V HN 0.290 nan 8.190 nan 0.000 0.442 228 E N 2.352 122.594 120.200 0.069 0.000 2.267 228 E HA -0.216 4.137 4.350 0.004 0.000 0.197 228 E C 1.777 178.404 176.600 0.045 0.000 0.998 228 E CA 1.870 58.305 56.400 0.058 0.000 0.830 228 E CB -0.328 29.404 29.700 0.052 0.000 0.751 228 E HN 0.641 nan 8.360 nan 0.000 0.491 229 N N -0.333 118.391 118.700 0.041 0.000 2.515 229 N HA 0.008 4.750 4.740 0.004 0.000 0.185 229 N C -0.587 174.952 175.510 0.047 0.000 1.109 229 N CA 0.991 54.064 53.050 0.038 0.000 0.903 229 N CB 0.398 38.904 38.487 0.031 0.000 0.969 229 N HN 0.179 nan 8.380 nan 0.000 0.450 230 A N 0.792 123.644 122.820 0.053 0.000 3.165 230 A HA 0.347 4.669 4.320 0.004 0.000 0.331 230 A C -1.611 176.022 177.584 0.081 0.000 1.034 230 A CA -1.039 51.039 52.037 0.068 0.000 0.906 230 A CB 0.822 19.860 19.000 0.063 0.000 1.054 230 A HN -0.051 nan 8.150 nan 0.000 0.484 231 P HA -0.181 nan 4.420 nan 0.000 0.219 231 P C 1.520 178.920 177.300 0.167 0.000 1.150 231 P CA 0.682 63.839 63.100 0.096 0.000 0.814 231 P CB 0.216 31.971 31.700 0.091 0.000 0.787 232 R N 0.078 120.720 120.500 0.237 0.000 2.112 232 R HA -0.129 4.214 4.340 0.004 0.000 0.242 232 R C 2.539 179.107 176.300 0.447 0.000 1.137 232 R CA 2.348 58.700 56.100 0.421 0.000 0.944 232 R CB -1.220 29.257 30.300 0.296 0.000 0.857 232 R HN 0.214 nan 8.270 nan 0.000 0.435 233 G N 0.249 109.212 108.800 0.270 0.000 2.408 233 G HA2 -0.152 3.810 3.960 0.004 0.000 0.215 233 G HA3 -0.152 3.810 3.960 0.004 0.000 0.215 233 G C 1.542 176.507 174.900 0.110 0.000 1.156 233 G CA 0.024 45.258 45.100 0.225 0.000 0.793 233 G HN 0.190 nan 8.290 nan 0.000 0.535 234 L N 0.339 121.595 121.223 0.055 0.000 2.043 234 L HA -0.202 4.140 4.340 0.004 0.000 0.212 234 L C 2.987 179.812 176.870 -0.074 0.000 1.075 234 L CA 1.028 55.858 54.840 -0.017 0.000 0.752 234 L CB -0.473 41.580 42.059 -0.010 0.000 0.891 234 L HN 0.265 nan 8.230 nan 0.000 0.432 235 C N -0.708 118.524 119.300 -0.112 0.000 2.413 235 C HA -0.188 4.274 4.460 0.004 0.000 0.277 235 C C 3.066 177.873 174.990 -0.305 0.000 1.265 235 C CA 0.637 59.474 59.018 -0.302 0.000 1.752 235 C CB -1.184 26.164 27.740 -0.654 0.000 1.998 235 C HN 0.642 nan 8.230 nan 0.000 0.489 236 A N 0.777 123.536 122.820 -0.101 0.000 1.845 236 A HA 0.070 4.393 4.320 0.004 0.000 0.215 236 A C 2.436 179.955 177.584 -0.108 0.000 1.195 236 A CA 2.158 54.182 52.037 -0.021 0.000 0.616 236 A CB -1.219 17.887 19.000 0.177 0.000 0.832 236 A HN 0.566 nan 8.150 nan 0.000 0.443 237 A N -0.463 122.342 122.820 -0.025 0.000 1.903 237 A HA -0.037 4.286 4.320 0.004 0.000 0.219 237 A C 2.470 180.059 177.584 0.009 0.000 1.191 237 A CA 2.439 54.524 52.037 0.080 0.000 0.638 237 A CB -1.624 17.351 19.000 -0.041 0.000 0.823 237 A HN 0.871 nan 8.150 nan 0.000 0.451 238 G N -1.191 107.531 108.800 -0.131 0.000 2.459 238 G HA2 -0.360 3.602 3.960 0.004 0.000 0.217 238 G HA3 -0.360 3.602 3.960 0.004 0.000 0.217 238 G C 1.847 176.579 174.900 -0.279 0.000 1.183 238 G CA 1.398 46.386 45.100 -0.188 0.000 0.776 238 G HN 0.750 nan 8.290 nan 0.000 0.552 239 C N 0.058 119.062 119.300 -0.494 0.000 2.419 239 C HA 0.098 4.560 4.460 0.004 0.000 0.281 239 C C 2.560 177.314 174.990 -0.394 0.000 1.336 239 C CA 0.794 59.416 59.018 -0.660 0.000 1.770 239 C CB -0.983 25.896 27.740 -1.434 0.000 1.929 239 C HN 0.357 nan 8.230 nan 0.000 0.509 240 L N 0.918 121.977 121.223 -0.273 0.000 1.973 240 L HA -0.003 4.339 4.340 0.004 0.000 0.208 240 L C 2.388 179.176 176.870 -0.136 0.000 1.073 240 L CA 2.174 56.908 54.840 -0.178 0.000 0.746 240 L CB -1.828 40.164 42.059 -0.112 0.000 0.891 240 L HN 0.391 nan 8.230 nan 0.000 0.433 241 L N 0.393 121.537 121.223 -0.133 0.000 2.013 241 L HA -0.277 4.066 4.340 0.004 0.000 0.212 241 L C 2.659 179.459 176.870 -0.117 0.000 1.073 241 L CA 1.937 56.685 54.840 -0.153 0.000 0.753 241 L CB -0.670 41.331 42.059 -0.095 0.000 0.890 241 L HN 0.416 nan 8.230 nan 0.000 0.432 242 Q N -2.108 117.625 119.800 -0.113 0.000 2.152 242 Q HA -0.282 4.060 4.340 0.004 0.000 0.206 242 Q C 2.100 178.066 176.000 -0.055 0.000 0.985 242 Q CA 2.385 58.134 55.803 -0.091 0.000 0.863 242 Q CB -0.380 28.283 28.738 -0.126 0.000 0.904 242 Q HN 0.670 nan 8.270 nan 0.000 0.422 243 Y N -0.046 120.145 120.300 -0.182 0.000 2.133 243 Y HA -0.219 4.333 4.550 0.004 0.000 0.287 243 Y C 2.110 177.933 175.900 -0.128 0.000 1.134 243 Y CA 1.390 59.400 58.100 -0.150 0.000 1.133 243 Y CB -0.569 37.790 38.460 -0.168 0.000 0.987 243 Y HN 0.133 nan 8.280 nan 0.000 0.502 244 A N 0.485 123.288 122.820 -0.029 0.000 1.884 244 A HA -0.318 4.005 4.320 0.004 0.000 0.219 244 A C 2.193 179.689 177.584 -0.146 0.000 1.197 244 A CA 2.511 54.483 52.037 -0.109 0.000 0.637 244 A CB -0.805 18.108 19.000 -0.145 0.000 0.827 244 A HN 0.540 nan 8.150 nan 0.000 0.450 245 K N -0.977 119.347 120.400 -0.127 0.000 2.074 245 K HA -0.222 4.100 4.320 0.004 0.000 0.209 245 K C 1.840 178.373 176.600 -0.112 0.000 1.048 245 K CA 1.761 57.985 56.287 -0.105 0.000 0.926 245 K CB -0.253 32.194 32.500 -0.087 0.000 0.713 245 K HN 0.549 nan 8.250 nan 0.000 0.444 246 D N -0.422 119.888 120.400 -0.149 0.000 2.224 246 D HA -0.100 4.543 4.640 0.004 0.000 0.205 246 D C 1.794 177.972 176.300 -0.203 0.000 0.965 246 D CA 1.454 55.362 54.000 -0.153 0.000 0.852 246 D CB 0.121 40.825 40.800 -0.160 0.000 0.947 246 D HN 0.313 nan 8.370 nan 0.000 0.494 247 T N -2.077 112.298 114.554 -0.299 0.000 2.698 247 T HA -0.139 4.214 4.350 0.004 0.000 0.260 247 T C 1.844 176.453 174.700 -0.152 0.000 1.044 247 T CA 0.750 62.694 62.100 -0.261 0.000 1.149 247 T CB -0.354 68.334 68.868 -0.300 0.000 0.864 247 T HN -0.033 nan 8.240 nan 0.000 0.419 248 Q N 1.031 120.757 119.800 -0.122 0.000 2.083 248 Q HA 0.176 4.518 4.340 0.004 0.000 0.198 248 Q C 1.327 177.292 176.000 -0.059 0.000 0.969 248 Q CA 0.798 56.554 55.803 -0.078 0.000 0.838 248 Q CB -0.476 28.230 28.738 -0.053 0.000 0.900 248 Q HN 0.651 nan 8.270 nan 0.000 0.436 249 R N 0.402 120.866 120.500 -0.059 0.000 3.741 249 R HA -0.153 4.189 4.340 0.004 0.000 0.292 249 R C -0.122 176.164 176.300 -0.023 0.000 1.176 249 R CA 1.102 57.179 56.100 -0.037 0.000 0.794 249 R CB -2.180 28.103 30.300 -0.028 0.000 1.213 249 R HN 0.532 nan 8.270 nan 0.000 0.494 250 T N -5.092 109.448 114.554 -0.023 0.000 2.858 250 T HA 0.584 4.936 4.350 0.004 0.000 0.285 250 T C 0.621 175.316 174.700 -0.008 0.000 1.052 250 T CA -0.294 61.799 62.100 -0.012 0.000 1.009 250 T CB 1.685 70.545 68.868 -0.015 0.000 1.241 250 T HN 0.144 nan 8.240 nan 0.000 0.542 251 T N 0.052 114.607 114.554 0.002 0.000 2.748 251 T HA 0.465 4.817 4.350 0.004 0.000 0.304 251 T C 0.280 175.000 174.700 0.033 0.000 1.041 251 T CA -0.683 61.423 62.100 0.010 0.000 1.033 251 T CB -0.157 68.722 68.868 0.018 0.000 0.995 251 T HN 0.595 nan 8.240 nan 0.000 0.536 252 L N 1.532 122.780 121.223 0.042 0.000 2.551 252 L HA 0.286 4.628 4.340 0.004 0.000 0.248 252 L C -1.733 175.191 176.870 0.089 0.000 1.509 252 L CA -1.720 53.177 54.840 0.094 0.000 0.842 252 L CB 1.562 43.600 42.059 -0.034 0.000 1.087 252 L HN 0.498 nan 8.230 nan 0.000 0.512 253 P HA -0.187 nan 4.420 nan 0.000 0.222 253 P C 1.158 178.547 177.300 0.148 0.000 1.147 253 P CA 1.333 64.509 63.100 0.126 0.000 0.790 253 P CB -0.100 31.660 31.700 0.101 0.000 0.780 254 H N -0.791 118.289 119.070 0.016 0.000 2.547 254 H HA 0.125 4.684 4.556 0.004 0.000 0.272 254 H C 0.723 176.078 175.328 0.045 0.000 0.989 254 H CA -0.036 56.026 56.048 0.022 0.000 1.214 254 H CB -0.951 28.808 29.762 -0.004 0.000 1.389 254 H HN 0.160 nan 8.280 nan 0.000 0.577 255 I N 3.699 124.031 120.570 -0.395 0.000 2.276 255 I HA 0.152 4.324 4.170 0.004 0.000 0.290 255 I C 1.349 177.534 176.117 0.113 0.000 1.109 255 I CA -0.171 61.028 61.300 -0.168 0.000 1.229 255 I CB 0.525 38.377 38.000 -0.245 0.000 1.452 255 I HN 0.253 nan 8.210 nan 0.000 0.497 256 R N 3.075 123.616 120.500 0.068 0.000 2.344 256 R HA 0.240 4.582 4.340 0.004 0.000 0.209 256 R C 0.509 176.585 176.300 -0.374 0.000 0.886 256 R CA -0.039 56.092 56.100 0.051 0.000 1.040 256 R CB 0.595 30.927 30.300 0.053 0.000 1.114 256 R HN 0.488 nan 8.270 nan 0.000 0.547 257 S N -0.105 115.217 115.700 -0.630 0.000 2.638 257 S HA 0.592 5.064 4.470 0.004 0.000 0.274 257 S C -1.093 172.883 174.600 -1.041 0.000 1.157 257 S CA -0.912 56.481 58.200 -1.345 0.000 0.826 257 S CB 2.076 65.011 63.200 -0.441 0.000 1.139 257 S HN 0.231 nan 8.310 nan 0.000 0.474 258 I N 0.918 120.774 120.570 -1.190 0.000 2.785 258 I HA 0.734 4.907 4.170 0.004 0.000 0.302 258 I C -1.388 174.526 176.117 -0.339 0.000 1.069 258 I CA -0.299 60.606 61.300 -0.658 0.000 1.045 258 I CB 2.396 39.907 38.000 -0.816 0.000 1.236 258 I HN 0.893 nan 8.210 nan 0.000 0.429 259 T N 6.417 120.854 114.554 -0.195 0.000 2.928 259 T HA 0.356 4.708 4.350 0.004 0.000 0.296 259 T C -0.444 174.228 174.700 -0.046 0.000 1.000 259 T CA -0.499 61.561 62.100 -0.067 0.000 0.989 259 T CB 1.501 70.357 68.868 -0.021 0.000 1.005 259 T HN 0.553 nan 8.240 nan 0.000 0.442 260 M N 2.389 121.979 119.600 -0.017 0.000 2.238 260 M HA 0.225 4.707 4.480 0.004 0.000 0.347 260 M C -0.189 176.121 176.300 0.016 0.000 1.173 260 M CA 0.129 55.431 55.300 0.004 0.000 1.147 260 M CB 0.505 33.115 32.600 0.016 0.000 1.547 260 M HN 0.606 nan 8.290 nan 0.000 0.455 261 E N 3.915 124.135 120.200 0.033 0.000 2.035 261 E HA 0.256 4.608 4.350 0.004 0.000 0.271 261 E C -1.019 175.598 176.600 0.030 0.000 0.953 261 E CA -0.306 56.114 56.400 0.034 0.000 0.777 261 E CB 0.995 30.728 29.700 0.055 0.000 1.104 261 E HN 0.544 nan 8.360 nan 0.000 0.408 262 R N 1.527 122.035 120.500 0.012 0.000 2.615 262 R HA 0.075 4.417 4.340 0.004 0.000 0.270 262 R C 1.097 177.393 176.300 -0.006 0.000 1.081 262 R CA -0.076 56.028 56.100 0.006 0.000 1.154 262 R CB 0.675 30.971 30.300 -0.006 0.000 1.063 262 R HN 0.559 nan 8.270 nan 0.000 0.519 263 E N 1.405 121.600 120.200 -0.008 0.000 2.106 263 E HA -0.248 4.104 4.350 0.004 0.000 0.192 263 E C 1.302 177.876 176.600 -0.043 0.000 0.984 263 E CA 1.237 57.624 56.400 -0.022 0.000 0.806 263 E CB 0.072 29.762 29.700 -0.016 0.000 0.750 263 E HN 0.513 nan 8.360 nan 0.000 0.458 264 Q N 0.853 120.625 119.800 -0.046 0.000 2.311 264 Q HA -0.061 4.281 4.340 0.004 0.000 0.203 264 Q C 1.255 177.212 176.000 -0.071 0.000 0.954 264 Q CA 0.827 56.590 55.803 -0.067 0.000 0.885 264 Q CB 0.166 28.864 28.738 -0.066 0.000 0.963 264 Q HN 0.160 nan 8.270 nan 0.000 0.471 265 D N 0.214 120.580 120.400 -0.056 0.000 2.348 265 D HA -0.006 4.636 4.640 0.004 0.000 0.216 265 D C 0.081 176.340 176.300 -0.069 0.000 0.970 265 D CA 0.706 54.671 54.000 -0.057 0.000 0.889 265 D CB 0.224 41.000 40.800 -0.040 0.000 0.912 265 D HN 0.262 nan 8.370 nan 0.000 0.524 266 S N -1.079 114.576 115.700 -0.075 0.000 2.567 266 S HA 0.392 4.865 4.470 0.004 0.000 0.270 266 S C -0.765 173.773 174.600 -0.102 0.000 1.152 266 S CA -0.992 57.160 58.200 -0.081 0.000 0.835 266 S CB 0.952 64.122 63.200 -0.050 0.000 1.115 266 S HN -0.019 nan 8.310 nan 0.000 0.459 267 I N 2.196 122.694 120.570 -0.119 0.000 2.406 267 I HA 0.195 4.368 4.170 0.004 0.000 0.293 267 I C -0.278 175.774 176.117 -0.108 0.000 1.101 267 I CA -0.226 60.989 61.300 -0.140 0.000 1.334 267 I CB -0.068 37.834 38.000 -0.163 0.000 1.421 267 I HN 0.529 nan 8.210 nan 0.000 0.513 268 I N 8.162 128.656 120.570 -0.126 0.000 2.421 268 I HA 0.097 4.269 4.170 0.004 0.000 0.291 268 I C 0.556 176.552 176.117 -0.202 0.000 1.089 268 I CA 0.236 61.454 61.300 -0.137 0.000 1.354 268 I CB 0.119 38.038 38.000 -0.135 0.000 1.413 268 I HN 0.506 nan 8.210 nan 0.000 0.513 269 M N 4.919 124.426 119.600 -0.155 0.000 2.578 269 M HA 0.561 5.043 4.480 0.004 0.000 0.321 269 M C -1.086 175.119 176.300 -0.158 0.000 1.182 269 M CA -0.944 54.249 55.300 -0.180 0.000 0.965 269 M CB 1.782 34.321 32.600 -0.101 0.000 1.694 269 M HN 0.327 nan 8.290 nan 0.000 0.461 270 D N 1.443 121.737 120.400 -0.178 0.000 2.326 270 D HA 0.571 5.214 4.640 0.004 0.000 0.251 270 D C 0.928 177.190 176.300 -0.064 0.000 1.023 270 D CA -0.502 53.424 54.000 -0.124 0.000 0.966 270 D CB 1.102 41.828 40.800 -0.124 0.000 1.156 270 D HN 0.721 nan 8.370 nan 0.000 0.494 271 A N 1.560 124.349 122.820 -0.052 0.000 1.900 271 A HA -0.286 4.037 4.320 0.004 0.000 0.225 271 A C 2.189 179.765 177.584 -0.014 0.000 1.414 271 A CA 3.946 55.964 52.037 -0.032 0.000 0.702 271 A CB -1.616 17.364 19.000 -0.033 0.000 0.845 271 A HN 0.932 nan 8.150 nan 0.000 0.478 272 A N -1.960 120.854 122.820 -0.009 0.000 1.859 272 A HA -0.178 4.145 4.320 0.004 0.000 0.217 272 A C 2.336 179.920 177.584 -0.001 0.000 1.198 272 A CA 2.884 54.922 52.037 0.001 0.000 0.629 272 A CB -1.621 17.385 19.000 0.010 0.000 0.830 272 A HN 0.584 nan 8.150 nan 0.000 0.446 273 T N -0.974 113.573 114.554 -0.013 0.000 2.699 273 T HA -0.182 4.171 4.350 0.004 0.000 0.268 273 T C 2.087 176.783 174.700 -0.007 0.000 1.036 273 T CA 1.783 63.872 62.100 -0.018 0.000 1.147 273 T CB -0.211 68.627 68.868 -0.050 0.000 0.862 273 T HN 0.508 nan 8.240 nan 0.000 0.446 274 R N 0.329 120.833 120.500 0.007 0.000 2.062 274 R HA 0.106 4.448 4.340 0.004 0.000 0.229 274 R C 2.788 179.115 176.300 0.046 0.000 1.128 274 R CA 0.977 57.104 56.100 0.045 0.000 0.960 274 R CB -0.020 30.337 30.300 0.095 0.000 0.855 274 R HN 0.256 nan 8.270 nan 0.000 0.432 275 R N -0.283 120.237 120.500 0.033 0.000 2.081 275 R HA -0.118 4.224 4.340 0.004 0.000 0.235 275 R C 1.825 178.139 176.300 0.024 0.000 1.131 275 R CA 1.736 57.853 56.100 0.029 0.000 0.960 275 R CB -0.299 30.012 30.300 0.018 0.000 0.856 275 R HN 0.171 nan 8.270 nan 0.000 0.436 276 N N 0.035 118.745 118.700 0.018 0.000 2.446 276 N HA 0.015 4.757 4.740 0.004 0.000 0.179 276 N C 1.230 176.757 175.510 0.029 0.000 1.054 276 N CA 0.445 53.507 53.050 0.019 0.000 0.905 276 N CB 0.266 38.760 38.487 0.013 0.000 0.973 276 N HN 0.113 nan 8.380 nan 0.000 0.448 277 L N 0.248 121.481 121.223 0.017 0.000 2.529 277 L HA 0.175 4.517 4.340 0.004 0.000 0.223 277 L C -0.107 176.771 176.870 0.013 0.000 1.113 277 L CA 0.345 55.190 54.840 0.009 0.000 0.861 277 L CB -0.266 41.773 42.059 -0.034 0.000 1.012 277 L HN 0.230 nan 8.230 nan 0.000 0.461 278 E N -0.083 120.129 120.200 0.020 0.000 2.297 278 E HA -0.266 4.086 4.350 0.004 0.000 0.228 278 E C 1.097 177.697 176.600 -0.001 0.000 1.213 278 E CA 0.075 56.489 56.400 0.024 0.000 0.712 278 E CB -1.369 28.354 29.700 0.040 0.000 1.202 278 E HN 0.482 nan 8.360 nan 0.000 0.376 279 I N -0.183 120.362 120.570 -0.043 0.000 2.127 279 I HA -0.292 3.881 4.170 0.004 0.000 0.241 279 I C 2.532 178.608 176.117 -0.068 0.000 1.075 279 I CA 2.352 63.574 61.300 -0.130 0.000 1.334 279 I CB -0.248 37.519 38.000 -0.389 0.000 1.040 279 I HN 0.450 nan 8.210 nan 0.000 0.405 280 T N -4.411 110.155 114.554 0.020 0.000 2.992 280 T HA 0.147 4.499 4.350 0.004 0.000 0.255 280 T C 0.592 175.334 174.700 0.069 0.000 0.938 280 T CA -0.376 61.769 62.100 0.075 0.000 0.895 280 T CB 0.202 69.179 68.868 0.182 0.000 1.221 280 T HN 0.164 nan 8.240 nan 0.000 0.512 281 Q N 2.476 122.319 119.800 0.072 0.000 2.333 281 Q HA 0.503 4.846 4.340 0.004 0.000 0.268 281 Q C -0.680 175.343 176.000 0.038 0.000 1.007 281 Q CA -0.865 54.968 55.803 0.051 0.000 0.810 281 Q CB 1.323 30.094 28.738 0.054 0.000 1.264 281 Q HN 0.532 nan 8.270 nan 0.000 0.452 282 N N 2.408 121.125 118.700 0.028 0.000 2.326 282 N HA -0.029 4.714 4.740 0.004 0.000 0.239 282 N C 0.267 175.789 175.510 0.020 0.000 1.301 282 N CA -0.020 53.043 53.050 0.022 0.000 0.909 282 N CB 0.524 39.022 38.487 0.017 0.000 1.156 282 N HN 0.748 nan 8.380 nan 0.000 0.462 283 L N -1.030 120.202 121.223 0.015 0.000 2.622 283 L HA 0.054 4.396 4.340 0.004 0.000 0.233 283 L C 1.733 178.609 176.870 0.010 0.000 1.156 283 L CA 0.679 55.527 54.840 0.013 0.000 0.866 283 L CB -0.527 41.537 42.059 0.008 0.000 0.980 283 L HN 0.849 nan 8.230 nan 0.000 0.448 284 A N -1.301 121.525 122.820 0.010 0.000 2.063 284 A HA 0.392 4.714 4.320 0.004 0.000 0.211 284 A C 1.680 179.270 177.584 0.010 0.000 1.177 284 A CA 0.868 52.910 52.037 0.008 0.000 0.759 284 A CB 0.276 19.280 19.000 0.007 0.000 0.857 284 A HN 0.398 nan 8.150 nan 0.000 0.468 285 G N -2.242 106.566 108.800 0.013 0.000 2.318 285 G HA2 0.118 4.080 3.960 0.004 0.000 0.172 285 G HA3 0.118 4.080 3.960 0.004 0.000 0.172 285 G C 0.686 175.595 174.900 0.014 0.000 1.002 285 G CA 0.142 45.250 45.100 0.013 0.000 0.697 285 G HN 1.159 nan 8.290 nan 0.000 0.483 286 G N -0.423 108.385 108.800 0.013 0.000 2.588 286 G HA2 0.657 4.620 3.960 0.004 0.000 0.281 286 G HA3 0.657 4.620 3.960 0.004 0.000 0.281 286 G C 1.065 175.976 174.900 0.017 0.000 1.236 286 G CA 0.401 45.509 45.100 0.013 0.000 0.969 286 G HN 1.203 nan 8.290 nan 0.000 0.504 287 A N -0.924 121.905 122.820 0.016 0.000 2.303 287 A HA 0.332 4.655 4.320 0.004 0.000 0.217 287 A C 0.801 178.394 177.584 0.016 0.000 1.205 287 A CA 0.053 52.101 52.037 0.019 0.000 0.875 287 A CB -0.076 18.934 19.000 0.018 0.000 0.910 287 A HN 0.620 nan 8.150 nan 0.000 0.501 288 E N 2.208 122.416 120.200 0.013 0.000 2.415 288 E HA 0.173 4.525 4.350 0.004 0.000 0.260 288 E C -0.519 176.089 176.600 0.013 0.000 1.016 288 E CA -0.060 56.346 56.400 0.011 0.000 0.924 288 E CB -0.044 29.661 29.700 0.008 0.000 0.961 288 E HN 0.334 nan 8.360 nan 0.000 0.459 289 N N 1.851 120.559 118.700 0.014 0.000 2.648 289 N HA -0.147 4.596 4.740 0.004 0.000 0.265 289 N C -0.902 174.622 175.510 0.024 0.000 1.100 289 N CA 1.325 54.386 53.050 0.018 0.000 0.715 289 N CB -1.527 36.968 38.487 0.014 0.000 0.881 289 N HN 0.687 nan 8.380 nan 0.000 0.548 290 T N -3.438 111.130 114.554 0.024 0.000 2.883 290 T HA 0.592 4.945 4.350 0.004 0.000 0.284 290 T C 1.326 176.037 174.700 0.018 0.000 1.041 290 T CA -0.988 61.127 62.100 0.024 0.000 1.007 290 T CB 1.548 70.427 68.868 0.019 0.000 1.220 290 T HN -0.007 nan 8.240 nan 0.000 0.552 291 L N 1.338 122.561 121.223 0.000 0.000 1.990 291 L HA 0.030 4.372 4.340 0.004 0.000 0.213 291 L C 2.844 179.713 176.870 -0.002 0.000 1.072 291 L CA 2.755 57.585 54.840 -0.016 0.000 0.755 291 L CB -1.450 40.577 42.059 -0.054 0.000 0.889 291 L HN 0.943 nan 8.230 nan 0.000 0.432 292 A N -1.247 121.569 122.820 -0.006 0.000 1.933 292 A HA -0.224 4.099 4.320 0.004 0.000 0.218 292 A C 2.477 180.067 177.584 0.009 0.000 1.175 292 A CA 2.130 54.169 52.037 0.004 0.000 0.628 292 A CB -1.100 17.906 19.000 0.009 0.000 0.814 292 A HN 0.692 nan 8.150 nan 0.000 0.444 293 S N -0.206 115.501 115.700 0.012 0.000 2.359 293 S HA -0.154 4.319 4.470 0.004 0.000 0.224 293 S C 1.764 176.371 174.600 0.012 0.000 1.035 293 S CA 1.644 59.850 58.200 0.011 0.000 1.018 293 S CB -1.077 62.131 63.200 0.012 0.000 0.876 293 S HN 0.287 nan 8.310 nan 0.000 0.448 294 V N 1.843 121.768 119.914 0.018 0.000 2.343 294 V HA -0.028 4.094 4.120 0.004 0.000 0.247 294 V C 2.437 178.549 176.094 0.029 0.000 1.051 294 V CA 1.749 64.064 62.300 0.025 0.000 1.036 294 V CB -0.755 31.092 31.823 0.040 0.000 0.654 294 V HN 0.474 nan 8.190 nan 0.000 0.451 295 L N -0.679 120.565 121.223 0.036 0.000 2.477 295 L HA 0.183 4.525 4.340 0.004 0.000 0.220 295 L C 0.720 177.599 176.870 0.015 0.000 1.106 295 L CA 0.257 55.124 54.840 0.044 0.000 0.851 295 L CB 0.010 42.108 42.059 0.065 0.000 0.994 295 L HN 0.235 nan 8.230 nan 0.000 0.462 296 D N -0.536 119.866 120.400 0.003 0.000 2.494 296 D HA 0.137 4.780 4.640 0.004 0.000 0.217 296 D C 0.010 176.301 176.300 -0.015 0.000 1.153 296 D CA -0.064 53.929 54.000 -0.012 0.000 0.954 296 D CB 0.417 41.210 40.800 -0.011 0.000 1.034 296 D HN 0.060 nan 8.370 nan 0.000 0.518 297 C N 2.764 122.053 119.300 -0.019 0.000 2.863 297 C HA 0.180 4.643 4.460 0.004 0.000 0.284 297 C C 0.726 175.701 174.990 -0.025 0.000 1.426 297 C CA -0.417 58.589 59.018 -0.019 0.000 1.782 297 C CB -1.618 26.112 27.740 -0.017 0.000 2.554 297 C HN 0.622 nan 8.230 nan 0.000 0.566 298 T N -0.066 114.467 114.554 -0.036 0.000 2.882 298 T HA 0.105 4.458 4.350 0.004 0.000 0.330 298 T C 1.220 175.902 174.700 -0.030 0.000 1.075 298 T CA 0.873 62.947 62.100 -0.044 0.000 1.129 298 T CB 0.597 69.428 68.868 -0.062 0.000 1.071 298 T HN 0.549 nan 8.240 nan 0.000 0.531 299 V N -1.725 118.173 119.914 -0.026 0.000 3.379 299 V HA 0.245 4.367 4.120 0.004 0.000 0.249 299 V C 1.193 177.278 176.094 -0.015 0.000 1.184 299 V CA 0.555 62.846 62.300 -0.015 0.000 1.106 299 V CB -0.747 31.072 31.823 -0.007 0.000 0.826 299 V HN 1.200 nan 8.190 nan 0.000 0.465 300 T N -2.130 112.412 114.554 -0.021 0.000 2.934 300 T HA 0.556 4.908 4.350 0.004 0.000 0.283 300 T C -1.708 172.976 174.700 -0.027 0.000 1.005 300 T CA -1.496 60.593 62.100 -0.019 0.000 1.041 300 T CB 1.619 70.477 68.868 -0.017 0.000 1.042 300 T HN 0.120 nan 8.240 nan 0.000 0.505 301 P HA -0.011 nan 4.420 nan 0.000 0.220 301 P C 1.884 179.167 177.300 -0.028 0.000 1.152 301 P CA 0.929 64.015 63.100 -0.024 0.000 0.812 301 P CB -0.183 31.506 31.700 -0.018 0.000 0.792 302 M N -1.877 117.707 119.600 -0.027 0.000 2.374 302 M HA 0.091 4.573 4.480 0.004 0.000 0.264 302 M C 1.796 178.067 176.300 -0.049 0.000 1.067 302 M CA 2.216 57.500 55.300 -0.026 0.000 1.103 302 M CB -1.262 31.329 32.600 -0.015 0.000 1.402 302 M HN -0.176 nan 8.290 nan 0.000 0.444 303 G N 0.536 109.298 108.800 -0.063 0.000 2.411 303 G HA2 -0.151 3.812 3.960 0.004 0.000 0.213 303 G HA3 -0.151 3.812 3.960 0.004 0.000 0.213 303 G C 1.510 176.334 174.900 -0.127 0.000 1.166 303 G CA 0.756 45.791 45.100 -0.109 0.000 0.802 303 G HN 0.570 nan 8.290 nan 0.000 0.533 304 S N 0.381 116.032 115.700 -0.082 0.000 2.383 304 S HA -0.128 4.344 4.470 0.004 0.000 0.229 304 S C 2.354 176.917 174.600 -0.062 0.000 1.030 304 S CA 1.490 59.649 58.200 -0.068 0.000 1.002 304 S CB -0.287 62.890 63.200 -0.039 0.000 0.829 304 S HN 0.400 nan 8.310 nan 0.000 0.467 305 R N -0.242 120.227 120.500 -0.052 0.000 2.092 305 R HA 0.064 4.406 4.340 0.004 0.000 0.231 305 R C 2.586 178.863 176.300 -0.039 0.000 1.119 305 R CA 1.654 57.739 56.100 -0.025 0.000 0.970 305 R CB -0.327 29.965 30.300 -0.012 0.000 0.864 305 R HN 0.561 nan 8.270 nan 0.000 0.440 306 M N 0.453 119.985 119.600 -0.114 0.000 2.123 306 M HA -0.133 4.349 4.480 0.004 0.000 0.263 306 M C 2.071 178.136 176.300 -0.391 0.000 1.069 306 M CA 1.328 56.503 55.300 -0.208 0.000 1.133 306 M CB -0.051 32.367 32.600 -0.304 0.000 1.356 306 M HN 0.161 nan 8.290 nan 0.000 0.415 307 L N 0.811 121.785 121.223 -0.415 0.000 2.129 307 L HA -0.242 4.100 4.340 0.004 0.000 0.212 307 L C 2.030 178.881 176.870 -0.032 0.000 1.087 307 L CA 1.973 56.632 54.840 -0.302 0.000 0.757 307 L CB -0.516 41.426 42.059 -0.196 0.000 0.896 307 L HN 0.262 nan 8.230 nan 0.000 0.434 308 K N -1.243 119.161 120.400 0.006 0.000 2.228 308 K HA -0.013 4.310 4.320 0.004 0.000 0.202 308 K C 2.145 178.877 176.600 0.219 0.000 1.051 308 K CA 0.700 57.053 56.287 0.110 0.000 0.960 308 K CB 0.065 32.627 32.500 0.102 0.000 0.743 308 K HN 0.354 nan 8.250 nan 0.000 0.458 309 R N -0.648 119.974 120.500 0.204 0.000 2.093 309 R HA -0.089 4.253 4.340 0.004 0.000 0.224 309 R C 1.825 178.356 176.300 0.384 0.000 1.101 309 R CA 1.026 57.291 56.100 0.274 0.000 0.979 309 R CB -0.117 30.332 30.300 0.247 0.000 0.877 309 R HN 0.203 nan 8.270 nan 0.000 0.441 310 W N 1.084 122.431 121.300 0.079 0.000 2.353 310 W HA -0.116 4.546 4.660 0.004 0.000 0.319 310 W C 1.927 178.479 176.519 0.054 0.000 1.207 310 W CA 0.390 57.773 57.345 0.065 0.000 1.291 310 W CB -1.037 28.456 29.460 0.055 0.000 1.159 310 W HN -0.009 nan 8.180 nan 0.000 0.478 311 L N -0.699 120.696 121.223 0.286 0.000 2.129 311 L HA -0.237 4.105 4.340 0.004 0.000 0.212 311 L C 2.035 178.912 176.870 0.012 0.000 1.087 311 L CA 1.946 56.844 54.840 0.097 0.000 0.757 311 L CB -1.768 40.290 42.059 -0.002 0.000 0.896 311 L HN 0.165 nan 8.230 nan 0.000 0.434 312 H N -2.980 116.155 119.070 0.110 0.000 2.544 312 H HA 0.212 4.770 4.556 0.004 0.000 0.269 312 H C 0.806 176.165 175.328 0.051 0.000 0.970 312 H CA 0.171 56.259 56.048 0.067 0.000 1.219 312 H CB 0.382 30.181 29.762 0.062 0.000 1.421 312 H HN 0.100 nan 8.280 nan 0.000 0.555 313 M N 1.472 121.176 119.600 0.173 0.000 2.067 313 M HA 0.261 4.744 4.480 0.004 0.000 0.214 313 M C -2.756 173.568 176.300 0.039 0.000 0.891 313 M CA -1.981 53.373 55.300 0.090 0.000 0.697 313 M CB 1.615 34.266 32.600 0.085 0.000 1.616 313 M HN -0.175 nan 8.290 nan 0.000 0.354 314 P HA 0.084 nan 4.420 nan 0.000 0.268 314 P C -0.819 176.472 177.300 -0.016 0.000 1.204 314 P CA -0.150 62.968 63.100 0.031 0.000 0.768 314 P CB 0.565 32.303 31.700 0.064 0.000 0.842 315 V N 4.219 124.116 119.914 -0.028 0.000 2.644 315 V HA 0.345 4.467 4.120 0.004 0.000 0.295 315 V C 1.315 177.401 176.094 -0.012 0.000 1.053 315 V CA -0.367 61.894 62.300 -0.065 0.000 0.987 315 V CB 1.350 33.089 31.823 -0.141 0.000 1.006 315 V HN 0.468 nan 8.190 nan 0.000 0.472 316 R N 0.493 120.951 120.500 -0.070 0.000 2.546 316 R HA 0.198 4.540 4.340 0.004 0.000 0.320 316 R C -0.154 176.094 176.300 -0.085 0.000 1.021 316 R CA -0.309 55.738 56.100 -0.088 0.000 1.088 316 R CB 0.295 30.508 30.300 -0.146 0.000 1.278 316 R HN 0.725 nan 8.270 nan 0.000 0.557 317 D N 1.030 121.375 120.400 -0.092 0.000 2.365 317 D HA 0.032 4.674 4.640 0.004 0.000 0.237 317 D C 0.678 176.892 176.300 -0.144 0.000 1.190 317 D CA 0.205 54.145 54.000 -0.101 0.000 0.867 317 D CB 1.442 42.188 40.800 -0.090 0.000 1.050 317 D HN 0.035 nan 8.370 nan 0.000 0.491 318 T N 3.561 118.018 114.554 -0.162 0.000 2.803 318 T HA -0.175 4.177 4.350 0.004 0.000 0.269 318 T C 1.827 176.438 174.700 -0.147 0.000 1.052 318 T CA 0.804 62.758 62.100 -0.243 0.000 1.136 318 T CB 0.240 69.005 68.868 -0.172 0.000 0.864 318 T HN 0.382 nan 8.240 nan 0.000 0.467 319 R N 0.426 120.874 120.500 -0.086 0.000 2.090 319 R HA 0.002 4.345 4.340 0.004 0.000 0.228 319 R C 2.378 178.653 176.300 -0.040 0.000 1.110 319 R CA 0.827 56.901 56.100 -0.044 0.000 0.973 319 R CB -0.364 29.916 30.300 -0.033 0.000 0.869 319 R HN 0.287 nan 8.270 nan 0.000 0.440 320 V N 1.474 121.348 119.914 -0.066 0.000 2.407 320 V HA -0.233 3.890 4.120 0.004 0.000 0.248 320 V C 2.325 178.381 176.094 -0.063 0.000 1.055 320 V CA 1.454 63.710 62.300 -0.073 0.000 1.049 320 V CB -0.352 31.402 31.823 -0.115 0.000 0.662 320 V HN 0.296 nan 8.190 nan 0.000 0.455 321 L N -0.899 120.279 121.223 -0.075 0.000 2.056 321 L HA -0.127 4.215 4.340 0.004 0.000 0.207 321 L C 2.363 179.298 176.870 0.109 0.000 1.078 321 L CA 1.380 56.212 54.840 -0.013 0.000 0.749 321 L CB -0.458 41.512 42.059 -0.147 0.000 0.901 321 L HN 0.278 nan 8.230 nan 0.000 0.433 322 L N -0.674 120.608 121.223 0.099 0.000 2.109 322 L HA -0.161 4.182 4.340 0.004 0.000 0.207 322 L C 2.509 179.437 176.870 0.096 0.000 1.086 322 L CA 1.116 56.038 54.840 0.136 0.000 0.760 322 L CB -0.423 41.703 42.059 0.111 0.000 0.910 322 L HN 0.256 nan 8.230 nan 0.000 0.437 323 E N -0.161 120.075 120.200 0.061 0.000 2.150 323 E HA -0.193 4.159 4.350 0.004 0.000 0.193 323 E C 2.339 178.986 176.600 0.077 0.000 0.985 323 E CA 0.788 57.221 56.400 0.055 0.000 0.814 323 E CB 0.053 29.772 29.700 0.032 0.000 0.752 323 E HN 0.408 nan 8.360 nan 0.000 0.466 324 R N 0.532 121.084 120.500 0.086 0.000 2.062 324 R HA -0.092 4.250 4.340 0.004 0.000 0.229 324 R C 2.396 178.796 176.300 0.165 0.000 1.128 324 R CA 1.089 57.263 56.100 0.124 0.000 0.960 324 R CB -0.084 30.277 30.300 0.102 0.000 0.855 324 R HN 0.185 nan 8.270 nan 0.000 0.432 325 Q N 0.362 120.277 119.800 0.191 0.000 2.084 325 Q HA -0.225 4.117 4.340 0.004 0.000 0.202 325 Q C 2.106 178.255 176.000 0.247 0.000 0.978 325 Q CA 1.542 57.514 55.803 0.281 0.000 0.844 325 Q CB -0.009 28.858 28.738 0.215 0.000 0.898 325 Q HN 0.375 nan 8.270 nan 0.000 0.426 326 Q N -0.520 119.373 119.800 0.156 0.000 2.124 326 Q HA -0.141 4.201 4.340 0.004 0.000 0.202 326 Q C 2.028 178.082 176.000 0.089 0.000 0.977 326 Q CA 1.765 57.637 55.803 0.115 0.000 0.850 326 Q CB 0.058 28.843 28.738 0.079 0.000 0.901 326 Q HN 0.334 nan 8.270 nan 0.000 0.429 327 T N 0.685 115.289 114.554 0.083 0.000 2.737 327 T HA -0.082 4.270 4.350 0.004 0.000 0.265 327 T C 1.756 176.472 174.700 0.027 0.000 1.038 327 T CA 0.941 63.071 62.100 0.051 0.000 1.144 327 T CB -0.188 68.720 68.868 0.067 0.000 0.866 327 T HN 0.206 nan 8.240 nan 0.000 0.434 328 I N 1.257 121.841 120.570 0.022 0.000 2.423 328 I HA -0.155 4.018 4.170 0.004 0.000 0.254 328 I C 2.635 178.661 176.117 -0.152 0.000 1.151 328 I CA 1.101 62.337 61.300 -0.106 0.000 1.421 328 I CB -0.496 37.372 38.000 -0.219 0.000 1.079 328 I HN 0.320 nan 8.210 nan 0.000 0.431 329 G N 0.196 108.989 108.800 -0.013 0.000 2.424 329 G HA2 -0.152 3.811 3.960 0.004 0.000 0.214 329 G HA3 -0.152 3.811 3.960 0.004 0.000 0.214 329 G C 1.863 176.792 174.900 0.048 0.000 1.202 329 G CA 0.660 45.790 45.100 0.050 0.000 0.793 329 G HN 0.456 nan 8.290 nan 0.000 0.534 330 A N 0.380 123.231 122.820 0.053 0.000 1.940 330 A HA 0.116 4.439 4.320 0.004 0.000 0.219 330 A C 2.288 179.949 177.584 0.128 0.000 1.176 330 A CA 1.129 53.204 52.037 0.064 0.000 0.631 330 A CB -0.376 18.625 19.000 0.002 0.000 0.814 330 A HN 0.341 nan 8.150 nan 0.000 0.446 331 L N -0.985 120.284 121.223 0.078 0.000 2.591 331 L HA -0.007 4.336 4.340 0.004 0.000 0.228 331 L C 2.414 179.396 176.870 0.187 0.000 1.133 331 L CA 0.305 55.234 54.840 0.148 0.000 0.880 331 L CB -0.250 41.824 42.059 0.025 0.000 1.033 331 L HN 0.518 nan 8.230 nan 0.000 0.450 332 Q N 0.406 120.249 119.800 0.071 0.000 2.135 332 Q HA -0.255 4.087 4.340 0.004 0.000 0.204 332 Q C 1.313 177.244 176.000 -0.115 0.000 0.981 332 Q CA 1.884 57.654 55.803 -0.055 0.000 0.856 332 Q CB 0.176 28.846 28.738 -0.114 0.000 0.902 332 Q HN 0.383 nan 8.270 nan 0.000 0.425 333 D N -1.214 119.126 120.400 -0.100 0.000 2.317 333 D HA -0.072 4.570 4.640 0.004 0.000 0.211 333 D C 0.238 176.304 176.300 -0.390 0.000 0.966 333 D CA 0.670 54.475 54.000 -0.325 0.000 0.876 333 D CB 0.186 40.697 40.800 -0.483 0.000 0.927 333 D HN 0.237 nan 8.370 nan 0.000 0.519 334 F N -0.567 119.334 119.950 -0.081 0.000 2.664 334 F HA 0.131 4.661 4.527 0.004 0.000 0.303 334 F C 2.238 178.009 175.800 -0.049 0.000 1.092 334 F CA 0.084 58.051 58.000 -0.055 0.000 1.305 334 F CB -0.370 38.606 39.000 -0.041 0.000 1.054 334 F HN -0.102 nan 8.300 nan 0.000 0.565 335 T N -2.301 112.295 114.554 0.071 0.000 2.857 335 T HA -0.092 4.261 4.350 0.004 0.000 0.266 335 T C 2.235 176.949 174.700 0.024 0.000 1.048 335 T CA 1.059 63.184 62.100 0.041 0.000 1.139 335 T CB -0.417 68.459 68.868 0.013 0.000 0.874 335 T HN 0.177 nan 8.240 nan 0.000 0.455 336 A N 1.252 124.071 122.820 -0.000 0.000 2.015 336 A HA 0.379 4.702 4.320 0.004 0.000 0.219 336 A C 2.537 180.126 177.584 0.007 0.000 1.163 336 A CA 1.312 53.348 52.037 -0.002 0.000 0.646 336 A CB -1.198 17.790 19.000 -0.020 0.000 0.806 336 A HN 0.626 nan 8.150 nan 0.000 0.448 337 G N -0.775 108.037 108.800 0.020 0.000 2.510 337 G HA2 0.109 4.071 3.960 0.004 0.000 0.212 337 G HA3 0.109 4.071 3.960 0.004 0.000 0.212 337 G C 1.482 176.408 174.900 0.044 0.000 1.151 337 G CA 0.526 45.645 45.100 0.032 0.000 0.817 337 G HN 0.374 nan 8.290 nan 0.000 0.534 338 L N -0.122 121.137 121.223 0.059 0.000 2.095 338 L HA -0.002 4.341 4.340 0.004 0.000 0.204 338 L C 3.075 179.961 176.870 0.027 0.000 1.080 338 L CA 0.817 55.686 54.840 0.047 0.000 0.759 338 L CB -0.361 41.731 42.059 0.055 0.000 0.914 338 L HN 0.200 nan 8.230 nan 0.000 0.439 339 Q N -0.086 119.728 119.800 0.023 0.000 2.061 339 Q HA -0.194 4.148 4.340 0.004 0.000 0.204 339 Q C -0.420 175.587 176.000 0.012 0.000 0.984 339 Q CA 1.753 57.563 55.803 0.013 0.000 0.846 339 Q CB -0.967 27.777 28.738 0.009 0.000 0.902 339 Q HN 0.418 nan 8.270 nan 0.000 0.421 340 P HA -0.109 nan 4.420 nan 0.000 0.220 340 P C 1.210 178.520 177.300 0.017 0.000 1.148 340 P CA 1.042 64.151 63.100 0.015 0.000 0.803 340 P CB 0.080 31.789 31.700 0.015 0.000 0.782 341 V N -0.729 119.194 119.914 0.015 0.000 2.446 341 V HA -0.107 4.015 4.120 0.004 0.000 0.244 341 V C 2.364 178.461 176.094 0.006 0.000 1.039 341 V CA 1.159 63.464 62.300 0.008 0.000 1.045 341 V CB -1.067 30.761 31.823 0.009 0.000 0.681 341 V HN 0.075 nan 8.190 nan 0.000 0.459 342 L N 0.055 121.284 121.223 0.010 0.000 2.275 342 L HA -0.141 4.202 4.340 0.004 0.000 0.215 342 L C 2.704 179.579 176.870 0.008 0.000 1.119 342 L CA 1.343 56.188 54.840 0.008 0.000 0.790 342 L CB -0.363 41.699 42.059 0.005 0.000 0.919 342 L HN 0.333 nan 8.230 nan 0.000 0.443 343 R N -0.418 120.090 120.500 0.012 0.000 2.075 343 R HA -0.157 4.186 4.340 0.004 0.000 0.232 343 R C 2.124 178.443 176.300 0.032 0.000 1.126 343 R CA 1.052 57.162 56.100 0.016 0.000 0.963 343 R CB 0.078 30.389 30.300 0.017 0.000 0.858 343 R HN 0.337 nan 8.270 nan 0.000 0.435 344 Q N 0.168 119.995 119.800 0.044 0.000 2.364 344 Q HA -0.068 4.274 4.340 0.004 0.000 0.207 344 Q C 2.107 178.149 176.000 0.070 0.000 0.970 344 Q CA 0.752 56.611 55.803 0.093 0.000 0.888 344 Q CB -0.020 28.763 28.738 0.075 0.000 0.951 344 Q HN 0.250 nan 8.270 nan 0.000 0.469 345 V N 0.303 120.229 119.914 0.020 0.000 2.392 345 V HA -0.192 3.931 4.120 0.004 0.000 0.249 345 V C 1.471 177.575 176.094 0.016 0.000 1.059 345 V CA 1.617 63.925 62.300 0.013 0.000 1.051 345 V CB -1.195 30.638 31.823 0.016 0.000 0.658 345 V HN 0.606 nan 8.190 nan 0.000 0.455 346 G N 0.117 108.929 108.800 0.019 0.000 2.601 346 G HA2 -0.310 3.653 3.960 0.004 0.000 0.252 346 G HA3 -0.310 3.653 3.960 0.004 0.000 0.252 346 G C -0.175 174.721 174.900 -0.006 0.000 1.294 346 G CA 0.225 45.330 45.100 0.008 0.000 0.912 346 G HN 0.421 nan 8.290 nan 0.000 0.574 347 D N 0.591 120.982 120.400 -0.015 0.000 2.639 347 D HA 0.376 5.018 4.640 0.004 0.000 0.233 347 D C 1.650 177.933 176.300 -0.027 0.000 1.161 347 D CA -0.478 53.510 54.000 -0.019 0.000 1.003 347 D CB 0.427 41.215 40.800 -0.021 0.000 1.034 347 D HN 0.378 nan 8.370 nan 0.000 0.514 348 L N 2.259 123.467 121.223 -0.026 0.000 2.141 348 L HA -0.016 4.327 4.340 0.004 0.000 0.209 348 L C 1.937 178.790 176.870 -0.029 0.000 1.094 348 L CA 1.719 56.536 54.840 -0.038 0.000 0.763 348 L CB -0.477 41.565 42.059 -0.027 0.000 0.908 348 L HN 0.376 nan 8.230 nan 0.000 0.437 349 E N -0.321 119.872 120.200 -0.012 0.000 2.048 349 E HA -0.305 4.048 4.350 0.004 0.000 0.202 349 E C 2.229 178.818 176.600 -0.018 0.000 1.021 349 E CA 1.951 58.350 56.400 -0.002 0.000 0.825 349 E CB -0.126 29.579 29.700 0.007 0.000 0.756 349 E HN 0.489 nan 8.360 nan 0.000 0.454 350 R N -0.182 120.302 120.500 -0.027 0.000 2.193 350 R HA 0.021 4.363 4.340 0.004 0.000 0.213 350 R C 2.480 178.743 176.300 -0.061 0.000 1.055 350 R CA 0.703 56.779 56.100 -0.040 0.000 0.995 350 R CB -0.101 30.179 30.300 -0.033 0.000 0.893 350 R HN 0.355 nan 8.270 nan 0.000 0.459 351 I N 0.967 121.501 120.570 -0.059 0.000 2.179 351 I HA -0.292 3.880 4.170 0.004 0.000 0.242 351 I C 2.007 178.069 176.117 -0.091 0.000 1.088 351 I CA 1.423 62.681 61.300 -0.071 0.000 1.357 351 I CB -0.192 37.763 38.000 -0.076 0.000 1.051 351 I HN 0.131 nan 8.210 nan 0.000 0.409 352 L N 0.416 121.589 121.223 -0.082 0.000 2.265 352 L HA -0.167 4.176 4.340 0.004 0.000 0.215 352 L C 2.715 179.497 176.870 -0.148 0.000 1.117 352 L CA 0.847 55.634 54.840 -0.088 0.000 0.782 352 L CB -0.721 41.313 42.059 -0.043 0.000 0.914 352 L HN 0.239 nan 8.230 nan 0.000 0.441 353 A N 0.582 123.304 122.820 -0.163 0.000 1.855 353 A HA -0.186 4.136 4.320 0.004 0.000 0.215 353 A C 2.403 179.790 177.584 -0.329 0.000 1.191 353 A CA 1.371 53.233 52.037 -0.292 0.000 0.613 353 A CB -0.411 18.478 19.000 -0.186 0.000 0.829 353 A HN 0.293 nan 8.150 nan 0.000 0.442 354 R N -1.037 119.335 120.500 -0.214 0.000 2.127 354 R HA -0.108 4.235 4.340 0.004 0.000 0.238 354 R C 2.061 178.183 176.300 -0.298 0.000 1.134 354 R CA 1.364 57.341 56.100 -0.204 0.000 0.975 354 R CB -0.533 29.699 30.300 -0.113 0.000 0.865 354 R HN 0.494 nan 8.270 nan 0.000 0.447 355 L N 0.508 121.562 121.223 -0.282 0.000 2.046 355 L HA -0.118 4.225 4.340 0.004 0.000 0.208 355 L C 2.276 178.914 176.870 -0.387 0.000 1.077 355 L CA 1.863 56.481 54.840 -0.371 0.000 0.747 355 L CB -0.462 41.488 42.059 -0.183 0.000 0.896 355 L HN 0.150 nan 8.230 nan 0.000 0.432 356 A N -0.671 121.964 122.820 -0.308 0.000 1.933 356 A HA -0.140 4.182 4.320 0.004 0.000 0.218 356 A C 2.081 179.519 177.584 -0.243 0.000 1.175 356 A CA 1.866 53.754 52.037 -0.248 0.000 0.628 356 A CB -0.841 17.953 19.000 -0.344 0.000 0.814 356 A HN 0.479 nan 8.150 nan 0.000 0.444 357 L N -2.235 118.801 121.223 -0.312 0.000 2.591 357 L HA 0.174 4.516 4.340 0.004 0.000 0.228 357 L C 0.919 177.650 176.870 -0.232 0.000 1.133 357 L CA 0.031 54.742 54.840 -0.216 0.000 0.880 357 L CB -0.086 41.856 42.059 -0.196 0.000 1.033 357 L HN 0.362 nan 8.230 nan 0.000 0.450 358 R N -1.068 119.180 120.500 -0.419 0.000 3.641 358 R HA -0.199 4.144 4.340 0.004 0.000 0.286 358 R C 0.983 177.115 176.300 -0.279 0.000 1.153 358 R CA 0.891 56.649 56.100 -0.570 0.000 0.775 358 R CB -2.138 28.045 30.300 -0.195 0.000 1.215 358 R HN 0.175 nan 8.270 nan 0.000 0.474 359 T N -1.099 113.302 114.554 -0.255 0.000 3.015 359 T HA 0.299 4.652 4.350 0.004 0.000 0.250 359 T C 0.750 175.483 174.700 0.055 0.000 1.057 359 T CA 0.495 62.565 62.100 -0.050 0.000 1.066 359 T CB 0.292 69.115 68.868 -0.077 0.000 0.959 359 T HN 0.509 nan 8.240 nan 0.000 0.488 360 A N 2.384 125.201 122.820 -0.005 0.000 2.565 360 A HA 0.298 4.620 4.320 0.004 0.000 0.237 360 A C 0.504 178.311 177.584 0.371 0.000 1.053 360 A CA 0.314 52.438 52.037 0.146 0.000 0.755 360 A CB 0.150 19.220 19.000 0.117 0.000 0.980 360 A HN 0.486 nan 8.150 nan 0.000 0.506 361 R N 2.518 123.157 120.500 0.232 0.000 2.606 361 R HA 0.363 4.706 4.340 0.004 0.000 0.249 361 R C -1.912 174.533 176.300 0.242 0.000 1.127 361 R CA -1.767 54.460 56.100 0.211 0.000 1.133 361 R CB -0.097 30.248 30.300 0.076 0.000 1.243 361 R HN 0.380 nan 8.270 nan 0.000 0.558 362 P HA -0.122 nan 4.420 nan 0.000 0.215 362 P C 0.706 178.047 177.300 0.067 0.000 1.157 362 P CA 1.412 64.590 63.100 0.129 0.000 0.868 362 P CB 0.150 31.837 31.700 -0.021 0.000 0.788 363 R N -0.801 119.712 120.500 0.022 0.000 2.237 363 R HA -0.091 4.252 4.340 0.004 0.000 0.219 363 R C 1.519 177.814 176.300 -0.008 0.000 1.080 363 R CA 1.012 57.107 56.100 -0.008 0.000 0.995 363 R CB -0.540 29.745 30.300 -0.024 0.000 0.875 363 R HN 0.242 nan 8.270 nan 0.000 0.462 364 D N 0.626 121.039 120.400 0.021 0.000 2.097 364 D HA -0.129 4.514 4.640 0.004 0.000 0.197 364 D C 1.836 178.123 176.300 -0.022 0.000 0.984 364 D CA 1.039 55.042 54.000 0.005 0.000 0.826 364 D CB -0.143 40.678 40.800 0.035 0.000 0.973 364 D HN 0.169 nan 8.370 nan 0.000 0.460 365 L N 0.548 121.780 121.223 0.015 0.000 2.201 365 L HA -0.074 4.268 4.340 0.004 0.000 0.212 365 L C 2.383 179.204 176.870 -0.082 0.000 1.105 365 L CA 0.846 55.663 54.840 -0.039 0.000 0.775 365 L CB -0.399 41.651 42.059 -0.014 0.000 0.913 365 L HN -0.012 nan 8.230 nan 0.000 0.440 366 A N 0.042 122.833 122.820 -0.049 0.000 1.968 366 A HA -0.129 4.194 4.320 0.004 0.000 0.217 366 A C 2.349 179.893 177.584 -0.066 0.000 1.169 366 A CA 1.039 53.044 52.037 -0.054 0.000 0.638 366 A CB -0.284 18.689 19.000 -0.045 0.000 0.812 366 A HN 0.314 nan 8.150 nan 0.000 0.446 367 R N -1.391 119.062 120.500 -0.077 0.000 2.246 367 R HA 0.156 4.498 4.340 0.004 0.000 0.199 367 R C 2.076 178.295 176.300 -0.135 0.000 0.984 367 R CA 0.815 56.878 56.100 -0.061 0.000 1.015 367 R CB -0.245 30.021 30.300 -0.057 0.000 0.930 367 R HN 0.684 nan 8.270 nan 0.000 0.475 368 M N 0.602 120.048 119.600 -0.256 0.000 2.123 368 M HA -0.144 4.338 4.480 0.004 0.000 0.263 368 M C 2.367 178.129 176.300 -0.897 0.000 1.069 368 M CA 1.521 56.481 55.300 -0.566 0.000 1.133 368 M CB -0.031 32.249 32.600 -0.533 0.000 1.356 368 M HN -0.067 nan 8.290 nan 0.000 0.415 369 R N -1.086 119.111 120.500 -0.505 0.000 2.096 369 R HA -0.272 4.070 4.340 0.004 0.000 0.240 369 R C 2.190 178.433 176.300 -0.095 0.000 1.139 369 R CA 2.414 58.365 56.100 -0.249 0.000 0.952 369 R CB -0.535 29.728 30.300 -0.061 0.000 0.854 369 R HN 0.527 nan 8.270 nan 0.000 0.436 370 H N -0.243 118.732 119.070 -0.159 0.000 2.389 370 H HA 0.054 4.612 4.556 0.004 0.000 0.299 370 H C 1.720 177.020 175.328 -0.047 0.000 1.081 370 H CA 1.777 57.782 56.048 -0.071 0.000 1.345 370 H CB -0.155 29.567 29.762 -0.066 0.000 1.393 370 H HN 0.372 nan 8.280 nan 0.000 0.520 371 A N 0.349 123.114 122.820 -0.092 0.000 1.858 371 A HA -0.158 4.164 4.320 0.004 0.000 0.216 371 A C 2.036 179.666 177.584 0.076 0.000 1.190 371 A CA 1.560 53.558 52.037 -0.064 0.000 0.617 371 A CB -1.117 17.830 19.000 -0.087 0.000 0.827 371 A HN 0.437 nan 8.150 nan 0.000 0.443 372 F N 0.186 120.122 119.950 -0.024 0.000 2.184 372 F HA -0.229 4.301 4.527 0.004 0.000 0.301 372 F C 2.514 178.312 175.800 -0.003 0.000 1.076 372 F CA 1.485 59.493 58.000 0.014 0.000 1.295 372 F CB -1.201 37.809 39.000 0.016 0.000 1.026 372 F HN 0.380 nan 8.300 nan 0.000 0.494 373 Q N -0.743 119.130 119.800 0.122 0.000 2.435 373 Q HA -0.099 4.244 4.340 0.004 0.000 0.207 373 Q C 1.749 177.721 176.000 -0.045 0.000 0.956 373 Q CA 0.556 56.368 55.803 0.015 0.000 0.917 373 Q CB 0.069 28.775 28.738 -0.053 0.000 0.997 373 Q HN 0.389 nan 8.270 nan 0.000 0.497 374 Q N -0.534 119.230 119.800 -0.059 0.000 2.356 374 Q HA 0.083 4.426 4.340 0.004 0.000 0.205 374 Q C 1.764 177.769 176.000 0.008 0.000 0.901 374 Q CA 0.236 56.006 55.803 -0.055 0.000 0.938 374 Q CB 0.537 29.222 28.738 -0.087 0.000 1.081 374 Q HN 0.416 nan 8.270 nan 0.000 0.517 375 L N 0.978 122.232 121.223 0.052 0.000 2.027 375 L HA -0.110 4.233 4.340 0.004 0.000 0.206 375 L C -0.526 176.362 176.870 0.029 0.000 1.074 375 L CA 1.372 56.250 54.840 0.063 0.000 0.745 375 L CB -1.805 40.322 42.059 0.112 0.000 0.898 375 L HN 0.101 nan 8.230 nan 0.000 0.433 376 P HA -0.191 nan 4.420 nan 0.000 0.218 376 P C 1.290 178.594 177.300 0.006 0.000 1.149 376 P CA 1.217 64.321 63.100 0.007 0.000 0.817 376 P CB 0.120 31.825 31.700 0.008 0.000 0.785 377 E N -0.333 119.871 120.200 0.007 0.000 2.216 377 E HA -0.065 4.287 4.350 0.004 0.000 0.192 377 E C 1.801 178.407 176.600 0.011 0.000 0.988 377 E CA 0.699 57.104 56.400 0.008 0.000 0.834 377 E CB -1.020 28.683 29.700 0.004 0.000 0.772 377 E HN 0.125 nan 8.360 nan 0.000 0.479 378 L N -0.010 121.219 121.223 0.010 0.000 2.156 378 L HA 0.003 4.345 4.340 0.004 0.000 0.208 378 L C 2.521 179.389 176.870 -0.003 0.000 1.095 378 L CA 0.899 55.743 54.840 0.008 0.000 0.770 378 L CB -0.261 41.806 42.059 0.014 0.000 0.914 378 L HN 0.084 nan 8.230 nan 0.000 0.439 379 R N -0.052 120.446 120.500 -0.004 0.000 2.115 379 R HA -0.053 4.290 4.340 0.004 0.000 0.226 379 R C 2.401 178.692 176.300 -0.016 0.000 1.100 379 R CA 1.103 57.194 56.100 -0.016 0.000 0.980 379 R CB -0.333 29.956 30.300 -0.018 0.000 0.875 379 R HN 0.316 nan 8.270 nan 0.000 0.445 380 A N 1.337 124.155 122.820 -0.004 0.000 1.855 380 A HA -0.179 4.144 4.320 0.004 0.000 0.215 380 A C 2.055 179.646 177.584 0.011 0.000 1.191 380 A CA 1.029 53.069 52.037 0.005 0.000 0.613 380 A CB -0.423 18.585 19.000 0.013 0.000 0.829 380 A HN 0.254 nan 8.150 nan 0.000 0.442 381 Q N -0.759 119.053 119.800 0.020 0.000 2.181 381 Q HA -0.095 4.248 4.340 0.004 0.000 0.205 381 Q C 1.788 177.767 176.000 -0.035 0.000 0.980 381 Q CA 1.335 57.168 55.803 0.049 0.000 0.862 381 Q CB -0.215 28.563 28.738 0.067 0.000 0.905 381 Q HN 0.677 nan 8.270 nan 0.000 0.429 382 L N -0.387 120.787 121.223 -0.082 0.000 2.554 382 L HA 0.016 4.359 4.340 0.004 0.000 0.225 382 L C 2.197 178.979 176.870 -0.145 0.000 1.104 382 L CA 0.082 54.821 54.840 -0.168 0.000 0.866 382 L CB -0.073 41.915 42.059 -0.117 0.000 1.047 382 L HN 0.198 nan 8.230 nan 0.000 0.468 383 E N 0.406 120.558 120.200 -0.081 0.000 2.031 383 E HA -0.274 4.078 4.350 0.004 0.000 0.193 383 E C 2.052 178.613 176.600 -0.065 0.000 0.994 383 E CA 1.869 58.234 56.400 -0.060 0.000 0.800 383 E CB 0.059 29.741 29.700 -0.030 0.000 0.752 383 E HN 0.254 nan 8.360 nan 0.000 0.447 384 T N -0.019 114.508 114.554 -0.045 0.000 2.977 384 T HA -0.063 4.290 4.350 0.004 0.000 0.271 384 T C 0.572 175.235 174.700 -0.061 0.000 1.105 384 T CA 0.390 62.486 62.100 -0.006 0.000 1.116 384 T CB -0.174 68.748 68.868 0.089 0.000 0.878 384 T HN -0.058 nan 8.240 nan 0.000 0.509 385 V N 3.705 123.470 119.914 -0.248 0.000 2.421 385 V HA 0.104 4.227 4.120 0.004 0.000 0.271 385 V C 0.599 176.601 176.094 -0.153 0.000 1.031 385 V CA -0.481 61.606 62.300 -0.355 0.000 1.032 385 V CB 0.576 32.028 31.823 -0.618 0.000 1.009 385 V HN 0.452 nan 8.190 nan 0.000 0.477 386 D N 5.025 125.385 120.400 -0.066 0.000 2.416 386 D HA 0.154 4.796 4.640 0.004 0.000 0.240 386 D C -0.097 176.186 176.300 -0.028 0.000 1.250 386 D CA 0.304 54.287 54.000 -0.028 0.000 0.967 386 D CB 0.556 41.360 40.800 0.007 0.000 1.059 386 D HN 0.675 nan 8.370 nan 0.000 0.512 387 S N 2.219 117.895 115.700 -0.040 0.000 2.582 387 S HA 0.407 4.879 4.470 0.004 0.000 0.296 387 S C 0.498 175.085 174.600 -0.022 0.000 1.118 387 S CA -0.147 58.040 58.200 -0.022 0.000 0.947 387 S CB 1.028 64.214 63.200 -0.023 0.000 1.131 387 S HN 0.307 nan 8.310 nan 0.000 0.453 388 A N 5.377 128.192 122.820 -0.008 0.000 1.883 388 A HA 0.169 4.491 4.320 0.004 0.000 0.217 388 A C -0.646 176.936 177.584 -0.004 0.000 1.186 388 A CA 1.845 53.877 52.037 -0.007 0.000 0.624 388 A CB -1.912 17.087 19.000 -0.001 0.000 0.822 388 A HN 0.671 nan 8.150 nan 0.000 0.444 389 P HA -0.128 nan 4.420 nan 0.000 0.216 389 P C 1.621 178.926 177.300 0.008 0.000 1.153 389 P CA 1.430 64.539 63.100 0.015 0.000 0.858 389 P CB -0.156 31.562 31.700 0.029 0.000 0.789 390 V N -0.197 119.711 119.914 -0.010 0.000 2.343 390 V HA -0.240 3.883 4.120 0.004 0.000 0.247 390 V C 2.469 178.542 176.094 -0.036 0.000 1.051 390 V CA 1.711 63.992 62.300 -0.031 0.000 1.036 390 V CB -1.139 30.638 31.823 -0.077 0.000 0.654 390 V HN 0.150 nan 8.190 nan 0.000 0.451 391 Q N -0.295 119.483 119.800 -0.037 0.000 2.224 391 Q HA -0.035 4.307 4.340 0.004 0.000 0.203 391 Q C 2.307 178.295 176.000 -0.021 0.000 0.970 391 Q CA 1.570 57.352 55.803 -0.035 0.000 0.865 391 Q CB -0.456 28.262 28.738 -0.034 0.000 0.922 391 Q HN 0.670 nan 8.270 nan 0.000 0.445 392 A N 0.112 122.926 122.820 -0.009 0.000 2.067 392 A HA 0.003 4.326 4.320 0.004 0.000 0.217 392 A C 2.094 179.683 177.584 0.008 0.000 1.156 392 A CA 0.451 52.488 52.037 -0.000 0.000 0.683 392 A CB -0.260 18.744 19.000 0.007 0.000 0.808 392 A HN 0.269 nan 8.150 nan 0.000 0.455 393 L N -1.418 119.811 121.223 0.011 0.000 2.127 393 L HA -0.002 4.340 4.340 0.004 0.000 0.203 393 L C 2.654 179.530 176.870 0.010 0.000 1.080 393 L CA 1.043 55.895 54.840 0.021 0.000 0.768 393 L CB -0.412 41.664 42.059 0.027 0.000 0.924 393 L HN 0.376 nan 8.230 nan 0.000 0.444 394 R N 0.498 120.993 120.500 -0.009 0.000 2.105 394 R HA -0.251 4.092 4.340 0.004 0.000 0.239 394 R C 2.209 178.497 176.300 -0.019 0.000 1.135 394 R CA 1.968 58.057 56.100 -0.018 0.000 0.967 394 R CB 0.008 30.287 30.300 -0.036 0.000 0.861 394 R HN 0.293 nan 8.270 nan 0.000 0.442 395 E N 0.883 121.071 120.200 -0.020 0.000 2.015 395 E HA -0.204 4.148 4.350 0.004 0.000 0.191 395 E C 1.801 178.387 176.600 -0.023 0.000 0.991 395 E CA 1.678 58.061 56.400 -0.028 0.000 0.802 395 E CB -0.177 29.510 29.700 -0.022 0.000 0.759 395 E HN 0.135 nan 8.360 nan 0.000 0.447 396 K N 0.122 120.524 120.400 0.003 0.000 2.280 396 K HA -0.131 4.191 4.320 0.004 0.000 0.202 396 K C 1.977 178.609 176.600 0.052 0.000 1.047 396 K CA 1.473 57.776 56.287 0.026 0.000 0.942 396 K CB -0.223 32.303 32.500 0.043 0.000 0.739 396 K HN 0.441 nan 8.250 nan 0.000 0.457 397 M N -1.583 118.047 119.600 0.050 0.000 2.618 397 M HA 0.202 4.685 4.480 0.004 0.000 0.240 397 M C 0.780 177.143 176.300 0.105 0.000 1.123 397 M CA 0.662 56.023 55.300 0.102 0.000 1.060 397 M CB 0.056 32.706 32.600 0.083 0.000 1.535 397 M HN 0.074 nan 8.290 nan 0.000 0.507 398 G N 1.627 110.398 108.800 -0.050 0.000 2.598 398 G HA2 -0.358 3.604 3.960 0.004 0.000 0.269 398 G HA3 -0.358 3.604 3.960 0.004 0.000 0.269 398 G C 0.121 174.879 174.900 -0.238 0.000 1.289 398 G CA 0.727 45.643 45.100 -0.307 0.000 0.926 398 G HN 0.757 nan 8.290 nan 0.000 0.567 399 E N -3.295 116.634 120.200 -0.452 0.000 3.027 399 E HA 0.377 4.729 4.350 0.004 0.000 0.221 399 E C 0.717 177.244 176.600 -0.120 0.000 1.070 399 E CA 0.484 56.779 56.400 -0.175 0.000 1.705 399 E CB 0.224 29.831 29.700 -0.154 0.000 1.998 399 E HN 1.252 nan 8.360 nan 0.000 0.976 400 F N -0.100 119.701 119.950 -0.249 0.000 3.023 400 F HA -0.234 4.295 4.527 0.004 0.000 0.297 400 F C 1.026 176.607 175.800 -0.365 0.000 0.858 400 F CA 0.403 58.152 58.000 -0.418 0.000 1.222 400 F CB -1.898 36.605 39.000 -0.829 0.000 1.263 400 F HN 0.259 nan 8.300 nan 0.000 0.565 401 A N -0.678 122.077 122.820 -0.109 0.000 1.948 401 A HA -0.237 4.086 4.320 0.004 0.000 0.220 401 A C 2.055 179.612 177.584 -0.045 0.000 1.177 401 A CA 2.341 54.343 52.037 -0.059 0.000 0.636 401 A CB -0.310 18.660 19.000 -0.050 0.000 0.815 401 A HN 0.608 nan 8.150 nan 0.000 0.449 402 E N -0.036 120.125 120.200 -0.065 0.000 2.046 402 E HA -0.062 4.290 4.350 0.004 0.000 0.190 402 E C 1.931 178.509 176.600 -0.036 0.000 0.982 402 E CA 1.193 57.568 56.400 -0.043 0.000 0.800 402 E CB -0.316 29.353 29.700 -0.052 0.000 0.756 402 E HN 0.636 nan 8.360 nan 0.000 0.449 403 L N 0.507 121.668 121.223 -0.103 0.000 2.201 403 L HA -0.080 4.262 4.340 0.004 0.000 0.212 403 L C 2.618 179.564 176.870 0.127 0.000 1.105 403 L CA 0.935 55.748 54.840 -0.045 0.000 0.775 403 L CB -0.376 41.576 42.059 -0.177 0.000 0.913 403 L HN 0.070 nan 8.230 nan 0.000 0.440 404 R N 0.612 121.168 120.500 0.093 0.000 2.075 404 R HA -0.206 4.136 4.340 0.004 0.000 0.232 404 R C 1.874 178.266 176.300 0.155 0.000 1.126 404 R CA 1.964 58.228 56.100 0.274 0.000 0.963 404 R CB -0.140 30.278 30.300 0.198 0.000 0.858 404 R HN 0.249 nan 8.270 nan 0.000 0.435 405 D N 0.008 120.462 120.400 0.090 0.000 2.269 405 D HA -0.133 4.510 4.640 0.004 0.000 0.208 405 D C 1.774 178.127 176.300 0.089 0.000 0.963 405 D CA 0.367 54.413 54.000 0.076 0.000 0.864 405 D CB 0.131 40.963 40.800 0.053 0.000 0.936 405 D HN 0.216 nan 8.370 nan 0.000 0.505 406 L N -0.047 121.234 121.223 0.096 0.000 2.044 406 L HA 0.031 4.373 4.340 0.004 0.000 0.205 406 L C 1.981 178.888 176.870 0.062 0.000 1.075 406 L CA 1.475 56.381 54.840 0.110 0.000 0.747 406 L CB -0.379 41.742 42.059 0.104 0.000 0.903 406 L HN 0.110 nan 8.230 nan 0.000 0.435 407 L N -0.987 120.273 121.223 0.061 0.000 2.156 407 L HA -0.107 4.236 4.340 0.004 0.000 0.208 407 L C 2.390 179.259 176.870 -0.001 0.000 1.095 407 L CA 0.906 55.748 54.840 0.005 0.000 0.770 407 L CB -0.615 41.459 42.059 0.025 0.000 0.914 407 L HN 0.334 nan 8.230 nan 0.000 0.439 408 E N 0.301 120.526 120.200 0.042 0.000 2.150 408 E HA -0.166 4.186 4.350 0.004 0.000 0.193 408 E C 2.190 178.808 176.600 0.030 0.000 0.985 408 E CA 0.852 57.275 56.400 0.039 0.000 0.814 408 E CB 0.100 29.835 29.700 0.059 0.000 0.752 408 E HN 0.450 nan 8.360 nan 0.000 0.466 409 R N -0.373 120.155 120.500 0.046 0.000 2.223 409 R HA 0.157 4.499 4.340 0.004 0.000 0.198 409 R C 1.956 178.261 176.300 0.008 0.000 0.984 409 R CA 0.640 56.793 56.100 0.088 0.000 1.018 409 R CB 0.289 30.701 30.300 0.186 0.000 0.945 409 R HN 0.022 nan 8.270 nan 0.000 0.479 410 A N 0.823 123.520 122.820 -0.205 0.000 1.997 410 A HA 0.233 4.555 4.320 0.004 0.000 0.212 410 A C 0.942 178.289 177.584 -0.395 0.000 1.178 410 A CA 0.497 52.113 52.037 -0.701 0.000 0.698 410 A CB 0.397 18.965 19.000 -0.720 0.000 0.842 410 A HN 0.045 nan 8.150 nan 0.000 0.458 411 I N 0.697 121.157 120.570 -0.184 0.000 2.730 411 I HA 0.354 4.527 4.170 0.004 0.000 0.298 411 I C -0.248 175.838 176.117 -0.052 0.000 1.089 411 I CA -1.132 60.108 61.300 -0.101 0.000 1.041 411 I CB 2.033 39.991 38.000 -0.069 0.000 1.235 411 I HN 0.354 nan 8.210 nan 0.000 0.423 412 I N -0.035 120.513 120.570 -0.036 0.000 3.138 412 I HA 0.206 4.379 4.170 0.004 0.000 0.288 412 I C 0.697 176.802 176.117 -0.020 0.000 1.148 412 I CA -0.166 61.121 61.300 -0.021 0.000 1.315 412 I CB 0.474 38.463 38.000 -0.019 0.000 1.426 412 I HN 0.506 nan 8.210 nan 0.000 0.615 413 D N 1.773 122.164 120.400 -0.015 0.000 2.087 413 D HA -0.123 4.520 4.640 0.004 0.000 0.192 413 D C 0.916 177.197 176.300 -0.032 0.000 0.993 413 D CA 2.235 56.224 54.000 -0.018 0.000 0.828 413 D CB -0.475 40.317 40.800 -0.013 0.000 0.968 413 D HN 0.839 nan 8.370 nan 0.000 0.448 414 T N 0.149 114.683 114.554 -0.033 0.000 3.155 414 T HA 0.463 4.815 4.350 0.004 0.000 0.384 414 T C -2.575 172.103 174.700 -0.036 0.000 1.351 414 T CA -1.676 60.400 62.100 -0.040 0.000 1.198 414 T CB 1.874 70.718 68.868 -0.041 0.000 1.106 414 T HN -0.125 nan 8.240 nan 0.000 0.564 415 P HA 0.402 nan 4.420 nan 0.000 0.274 415 P C -2.494 174.779 177.300 -0.044 0.000 1.256 415 P CA -1.473 61.604 63.100 -0.039 0.000 0.795 415 P CB -0.097 31.582 31.700 -0.034 0.000 1.038 416 P HA 0.050 nan 4.420 nan 0.000 0.277 416 P C 1.004 178.270 177.300 -0.057 0.000 1.271 416 P CA -0.269 62.798 63.100 -0.054 0.000 0.795 416 P CB 0.485 32.150 31.700 -0.060 0.000 1.101 417 V N -0.556 119.327 119.914 -0.051 0.000 2.407 417 V HA -0.134 3.989 4.120 0.004 0.000 0.248 417 V C 1.364 177.426 176.094 -0.052 0.000 1.055 417 V CA 1.642 63.916 62.300 -0.044 0.000 1.049 417 V CB -0.975 30.824 31.823 -0.039 0.000 0.662 417 V HN 0.338 nan 8.190 nan 0.000 0.455 418 L N -1.244 119.936 121.223 -0.072 0.000 2.323 418 L HA 0.410 4.752 4.340 0.004 0.000 0.265 418 L C 0.902 177.676 176.870 -0.160 0.000 1.012 418 L CA -0.610 54.173 54.840 -0.095 0.000 0.820 418 L CB 2.072 44.096 42.059 -0.058 0.000 1.334 418 L HN -0.134 nan 8.230 nan 0.000 0.427 419 V N -0.649 119.117 119.914 -0.245 0.000 3.129 419 V HA -0.107 4.016 4.120 0.004 0.000 0.259 419 V C 2.256 178.241 176.094 -0.182 0.000 1.116 419 V CA 1.186 63.285 62.300 -0.334 0.000 1.127 419 V CB -1.127 30.358 31.823 -0.564 0.000 0.742 419 V HN 0.935 nan 8.190 nan 0.000 0.474 420 R N 1.293 121.729 120.500 -0.107 0.000 2.249 420 R HA -0.150 4.192 4.340 0.004 0.000 0.230 420 R C 1.063 177.336 176.300 -0.045 0.000 1.121 420 R CA 2.049 58.120 56.100 -0.048 0.000 0.997 420 R CB -0.388 29.922 30.300 0.017 0.000 0.867 420 R HN 0.520 nan 8.270 nan 0.000 0.465 421 D N -0.161 120.202 120.400 -0.061 0.000 2.433 421 D HA 0.183 4.825 4.640 0.004 0.000 0.211 421 D C 0.765 177.025 176.300 -0.066 0.000 1.114 421 D CA 0.752 54.718 54.000 -0.056 0.000 0.837 421 D CB 1.100 41.870 40.800 -0.050 0.000 0.984 421 D HN 0.449 nan 8.370 nan 0.000 0.505 422 G N 1.079 109.829 108.800 -0.083 0.000 2.584 422 G HA2 -0.053 3.910 3.960 0.004 0.000 0.229 422 G HA3 -0.053 3.910 3.960 0.004 0.000 0.229 422 G C 0.719 175.576 174.900 -0.071 0.000 1.320 422 G CA -0.004 45.049 45.100 -0.078 0.000 0.891 422 G HN 0.767 nan 8.290 nan 0.000 0.573 423 G N -2.751 106.019 108.800 -0.050 0.000 2.246 423 G HA2 0.080 4.042 3.960 0.004 0.000 0.273 423 G HA3 0.080 4.042 3.960 0.004 0.000 0.273 423 G C 0.882 175.753 174.900 -0.048 0.000 1.055 423 G CA 1.369 46.445 45.100 -0.040 0.000 0.851 423 G HN 1.846 nan 8.290 nan 0.000 0.500 424 V N -0.098 119.783 119.914 -0.054 0.000 2.948 424 V HA 0.307 4.429 4.120 0.004 0.000 0.234 424 V C 1.529 177.601 176.094 -0.036 0.000 1.205 424 V CA 0.637 62.903 62.300 -0.057 0.000 1.234 424 V CB 0.020 31.778 31.823 -0.109 0.000 1.020 424 V HN 0.354 nan 8.190 nan 0.000 0.491 425 I N 1.645 122.199 120.570 -0.027 0.000 2.588 425 I HA 0.396 4.568 4.170 0.004 0.000 0.283 425 I C 0.519 176.629 176.117 -0.012 0.000 1.119 425 I CA 0.254 61.531 61.300 -0.039 0.000 1.419 425 I CB 0.336 38.342 38.000 0.010 0.000 1.394 425 I HN 0.227 nan 8.210 nan 0.000 0.562 426 A N 5.151 127.957 122.820 -0.022 0.000 2.256 426 A HA 0.596 4.918 4.320 0.004 0.000 0.318 426 A C 0.206 177.832 177.584 0.070 0.000 1.103 426 A CA -0.477 51.570 52.037 0.017 0.000 0.860 426 A CB 0.451 19.452 19.000 0.002 0.000 1.182 426 A HN 0.695 nan 8.150 nan 0.000 0.501 427 S N -0.330 115.406 115.700 0.059 0.000 2.505 427 S HA 0.484 4.957 4.470 0.004 0.000 0.276 427 S C 1.126 175.775 174.600 0.081 0.000 1.274 427 S CA 0.539 58.779 58.200 0.067 0.000 1.053 427 S CB 0.752 63.979 63.200 0.045 0.000 0.919 427 S HN 2.034 nan 8.310 nan 0.000 0.490 428 G N 1.939 110.794 108.800 0.092 0.000 2.352 428 G HA2 -0.280 3.683 3.960 0.004 0.000 0.204 428 G HA3 -0.280 3.683 3.960 0.004 0.000 0.204 428 G C 0.618 175.584 174.900 0.109 0.000 1.004 428 G CA 0.099 45.248 45.100 0.082 0.000 0.648 428 G HN 0.649 nan 8.290 nan 0.000 0.491 429 Y N 1.854 122.164 120.300 0.017 0.000 2.163 429 Y HA 0.259 4.811 4.550 0.004 0.000 0.288 429 Y C 1.083 176.994 175.900 0.018 0.000 1.136 429 Y CA 1.922 60.032 58.100 0.018 0.000 1.147 429 Y CB 0.333 38.805 38.460 0.020 0.000 0.987 429 Y HN 0.289 nan 8.280 nan 0.000 0.509 430 N N 0.228 118.973 118.700 0.073 0.000 2.410 430 N HA 0.048 4.790 4.740 0.004 0.000 0.287 430 N C 0.287 175.814 175.510 0.028 0.000 1.044 430 N CA 0.156 53.205 53.050 -0.003 0.000 0.881 430 N CB 1.390 39.925 38.487 0.080 0.000 1.405 430 N HN 0.547 nan 8.380 nan 0.000 0.490 431 E N 1.932 122.125 120.200 -0.011 0.000 2.152 431 E HA -0.154 4.199 4.350 0.004 0.000 0.192 431 E C 0.844 177.432 176.600 -0.020 0.000 0.983 431 E CA 0.851 57.242 56.400 -0.014 0.000 0.818 431 E CB 0.025 29.704 29.700 -0.034 0.000 0.758 431 E HN 0.633 nan 8.360 nan 0.000 0.467 432 E N 0.577 120.771 120.200 -0.011 0.000 2.204 432 E HA -0.158 4.194 4.350 0.004 0.000 0.195 432 E C 2.054 178.696 176.600 0.069 0.000 0.990 432 E CA 0.621 57.009 56.400 -0.020 0.000 0.821 432 E CB 0.074 29.793 29.700 0.033 0.000 0.750 432 E HN 0.339 nan 8.360 nan 0.000 0.477 433 L N 0.710 122.009 121.223 0.127 0.000 2.127 433 L HA -0.072 4.270 4.340 0.004 0.000 0.203 433 L C 1.623 178.577 176.870 0.140 0.000 1.080 433 L CA 1.347 56.301 54.840 0.191 0.000 0.768 433 L CB -0.042 42.113 42.059 0.160 0.000 0.924 433 L HN -0.072 nan 8.230 nan 0.000 0.444 434 D N -0.027 120.421 120.400 0.080 0.000 2.158 434 D HA -0.273 4.370 4.640 0.004 0.000 0.197 434 D C 1.940 178.256 176.300 0.026 0.000 0.995 434 D CA 1.580 55.610 54.000 0.050 0.000 0.846 434 D CB 0.007 40.824 40.800 0.028 0.000 0.941 434 D HN 0.592 nan 8.370 nan 0.000 0.456 435 E N -0.712 119.477 120.200 -0.019 0.000 2.072 435 E HA -0.141 4.211 4.350 0.004 0.000 0.190 435 E C 2.083 178.641 176.600 -0.071 0.000 0.982 435 E CA 0.633 56.967 56.400 -0.109 0.000 0.803 435 E CB -0.182 29.372 29.700 -0.242 0.000 0.755 435 E HN 0.403 nan 8.360 nan 0.000 0.453 436 W N 0.842 122.133 121.300 -0.016 0.000 2.409 436 W HA 0.006 4.669 4.660 0.004 0.000 0.299 436 W C 2.735 179.237 176.519 -0.029 0.000 1.203 436 W CA 0.400 57.731 57.345 -0.024 0.000 1.298 436 W CB 0.050 29.498 29.460 -0.020 0.000 1.127 436 W HN 0.040 nan 8.180 nan 0.000 0.528 437 R N 0.079 120.716 120.500 0.227 0.000 2.103 437 R HA -0.211 4.131 4.340 0.004 0.000 0.242 437 R C 2.270 178.620 176.300 0.082 0.000 1.142 437 R CA 1.809 57.980 56.100 0.118 0.000 0.960 437 R CB -0.741 29.609 30.300 0.083 0.000 0.858 437 R HN 0.169 nan 8.270 nan 0.000 0.439 438 A N 0.455 123.315 122.820 0.067 0.000 1.897 438 A HA -0.098 4.224 4.320 0.004 0.000 0.215 438 A C 1.897 179.500 177.584 0.032 0.000 1.181 438 A CA 0.920 52.978 52.037 0.036 0.000 0.620 438 A CB -0.244 18.763 19.000 0.012 0.000 0.821 438 A HN 0.096 nan 8.150 nan 0.000 0.443 439 L N -0.400 120.847 121.223 0.041 0.000 2.131 439 L HA -0.072 4.271 4.340 0.004 0.000 0.210 439 L C 2.821 179.703 176.870 0.020 0.000 1.092 439 L CA 1.676 56.535 54.840 0.033 0.000 0.759 439 L CB -1.294 40.803 42.059 0.063 0.000 0.903 439 L HN 0.422 nan 8.230 nan 0.000 0.435 440 A N -1.777 121.070 122.820 0.046 0.000 2.016 440 A HA -0.114 4.208 4.320 0.004 0.000 0.217 440 A C 1.543 179.118 177.584 -0.016 0.000 1.162 440 A CA 0.965 52.994 52.037 -0.014 0.000 0.662 440 A CB -0.255 18.748 19.000 0.004 0.000 0.812 440 A HN 0.306 nan 8.150 nan 0.000 0.450 441 D N -0.108 120.306 120.400 0.024 0.000 3.071 441 D HA 0.257 4.899 4.640 0.004 0.000 0.259 441 D C 1.298 177.647 176.300 0.082 0.000 1.331 441 D CA 0.431 54.461 54.000 0.050 0.000 0.861 441 D CB -0.093 40.733 40.800 0.042 0.000 1.059 441 D HN 0.265 nan 8.370 nan 0.000 0.486 442 G N 0.079 108.949 108.800 0.116 0.000 2.598 442 G HA2 -0.121 3.842 3.960 0.004 0.000 0.215 442 G HA3 -0.121 3.842 3.960 0.004 0.000 0.215 442 G C 1.530 176.581 174.900 0.252 0.000 1.131 442 G CA 0.651 45.860 45.100 0.181 0.000 0.785 442 G HN 0.375 nan 8.290 nan 0.000 0.539 443 A N 0.389 123.361 122.820 0.254 0.000 2.024 443 A HA -0.047 4.275 4.320 0.004 0.000 0.220 443 A C 2.409 180.066 177.584 0.122 0.000 1.164 443 A CA 2.201 54.364 52.037 0.209 0.000 0.643 443 A CB -0.916 18.193 19.000 0.182 0.000 0.806 443 A HN 0.254 nan 8.150 nan 0.000 0.451 444 T N 0.242 114.855 114.554 0.098 0.000 2.755 444 T HA -0.239 4.113 4.350 0.004 0.000 0.266 444 T C 0.876 175.608 174.700 0.053 0.000 1.041 444 T CA 2.144 64.283 62.100 0.064 0.000 1.147 444 T CB -0.441 68.460 68.868 0.054 0.000 0.847 444 T HN 1.012 nan 8.240 nan 0.000 0.478 445 D N -2.348 118.092 120.400 0.067 0.000 2.682 445 D HA 0.092 4.734 4.640 0.004 0.000 0.291 445 D C 0.669 176.987 176.300 0.029 0.000 1.585 445 D CA -0.513 53.509 54.000 0.037 0.000 0.845 445 D CB -0.784 40.032 40.800 0.026 0.000 1.323 445 D HN 0.413 nan 8.370 nan 0.000 0.438 446 Y N 1.135 121.392 120.300 -0.070 0.000 2.205 446 Y HA 0.227 4.780 4.550 0.004 0.000 0.292 446 Y C 1.511 177.268 175.900 -0.238 0.000 1.119 446 Y CA 0.888 58.891 58.100 -0.161 0.000 1.117 446 Y CB 0.060 38.380 38.460 -0.234 0.000 1.037 446 Y HN -0.043 nan 8.280 nan 0.000 0.510 447 L N 0.791 121.681 121.223 -0.554 0.000 2.131 447 L HA -0.192 4.151 4.340 0.004 0.000 0.210 447 L C 2.567 179.215 176.870 -0.369 0.000 1.092 447 L CA 1.675 56.163 54.840 -0.587 0.000 0.759 447 L CB -0.568 41.365 42.059 -0.209 0.000 0.903 447 L HN 0.387 nan 8.230 nan 0.000 0.435 448 E N 0.487 120.554 120.200 -0.222 0.000 2.077 448 E HA -0.222 4.131 4.350 0.004 0.000 0.193 448 E C 2.356 178.854 176.600 -0.171 0.000 0.989 448 E CA 1.162 57.478 56.400 -0.140 0.000 0.800 448 E CB 0.137 29.795 29.700 -0.069 0.000 0.746 448 E HN 0.427 nan 8.360 nan 0.000 0.452 449 R N 0.085 120.452 120.500 -0.223 0.000 2.062 449 R HA -0.124 4.219 4.340 0.004 0.000 0.229 449 R C 2.646 178.808 176.300 -0.231 0.000 1.128 449 R CA 1.120 57.111 56.100 -0.182 0.000 0.960 449 R CB -0.403 29.823 30.300 -0.124 0.000 0.855 449 R HN 0.174 nan 8.270 nan 0.000 0.432 450 L N 1.549 122.512 121.223 -0.433 0.000 2.079 450 L HA -0.173 4.170 4.340 0.004 0.000 0.210 450 L C 2.088 178.826 176.870 -0.220 0.000 1.081 450 L CA 1.898 56.515 54.840 -0.373 0.000 0.752 450 L CB -0.513 41.163 42.059 -0.639 0.000 0.896 450 L HN 0.193 nan 8.230 nan 0.000 0.433 451 E N -0.663 119.408 120.200 -0.215 0.000 2.031 451 E HA -0.201 4.151 4.350 0.004 0.000 0.193 451 E C 2.073 178.637 176.600 -0.059 0.000 0.994 451 E CA 1.868 58.207 56.400 -0.102 0.000 0.800 451 E CB -0.113 29.537 29.700 -0.084 0.000 0.752 451 E HN 0.418 nan 8.360 nan 0.000 0.447 452 V N 2.058 121.929 119.914 -0.072 0.000 2.427 452 V HA -0.234 3.889 4.120 0.004 0.000 0.248 452 V C 2.642 178.715 176.094 -0.035 0.000 1.051 452 V CA 2.128 64.402 62.300 -0.044 0.000 1.048 452 V CB -0.653 31.144 31.823 -0.044 0.000 0.666 452 V HN 0.366 nan 8.190 nan 0.000 0.456 453 R N -0.133 120.338 120.500 -0.048 0.000 2.193 453 R HA -0.083 4.259 4.340 0.004 0.000 0.213 453 R C 1.729 178.021 176.300 -0.012 0.000 1.055 453 R CA 1.293 57.374 56.100 -0.030 0.000 0.995 453 R CB -0.201 30.078 30.300 -0.035 0.000 0.893 453 R HN 0.378 nan 8.270 nan 0.000 0.459 454 E N 1.025 121.222 120.200 -0.005 0.000 2.318 454 E HA -0.065 4.287 4.350 0.004 0.000 0.193 454 E C 1.793 178.412 176.600 0.031 0.000 0.998 454 E CA 0.430 56.853 56.400 0.038 0.000 0.859 454 E CB 0.020 29.770 29.700 0.083 0.000 0.812 454 E HN 0.391 nan 8.360 nan 0.000 0.492 455 R N 0.935 121.443 120.500 0.013 0.000 2.119 455 R HA -0.029 4.314 4.340 0.004 0.000 0.222 455 R C 1.789 178.083 176.300 -0.010 0.000 1.088 455 R CA 0.965 57.068 56.100 0.005 0.000 0.984 455 R CB 0.250 30.552 30.300 0.005 0.000 0.884 455 R HN 0.061 nan 8.270 nan 0.000 0.447 456 E N -0.375 119.818 120.200 -0.011 0.000 2.122 456 E HA -0.102 4.251 4.350 0.004 0.000 0.190 456 E C 1.972 178.560 176.600 -0.019 0.000 0.977 456 E CA 0.341 56.732 56.400 -0.015 0.000 0.820 456 E CB 0.120 29.812 29.700 -0.013 0.000 0.770 456 E HN 0.215 nan 8.360 nan 0.000 0.462 457 R N 0.634 121.124 120.500 -0.016 0.000 2.066 457 R HA -0.114 4.229 4.340 0.004 0.000 0.232 457 R C 2.418 178.693 176.300 -0.042 0.000 1.131 457 R CA 2.041 58.129 56.100 -0.020 0.000 0.955 457 R CB -0.149 30.148 30.300 -0.005 0.000 0.851 457 R HN 0.193 nan 8.270 nan 0.000 0.432 458 T N -3.478 111.044 114.554 -0.054 0.000 2.978 458 T HA 0.122 4.474 4.350 0.004 0.000 0.262 458 T C 1.352 176.001 174.700 -0.085 0.000 1.063 458 T CA 0.639 62.678 62.100 -0.101 0.000 1.140 458 T CB 0.072 68.852 68.868 -0.145 0.000 0.886 458 T HN 0.423 nan 8.240 nan 0.000 0.470 459 G N 1.450 110.217 108.800 -0.056 0.000 2.198 459 G HA2 -0.185 3.778 3.960 0.004 0.000 0.257 459 G HA3 -0.185 3.778 3.960 0.004 0.000 0.257 459 G C -0.110 174.761 174.900 -0.048 0.000 1.042 459 G CA 0.153 45.226 45.100 -0.046 0.000 0.791 459 G HN 0.637 nan 8.290 nan 0.000 0.502 460 L N 1.247 122.441 121.223 -0.047 0.000 2.356 460 L HA 0.291 4.634 4.340 0.004 0.000 0.264 460 L C 1.295 178.156 176.870 -0.014 0.000 1.029 460 L CA -0.490 54.324 54.840 -0.044 0.000 0.897 460 L CB 1.051 43.068 42.059 -0.070 0.000 1.256 460 L HN 0.268 nan 8.230 nan 0.000 0.444 461 D N -0.502 119.893 120.400 -0.008 0.000 2.221 461 D HA -0.220 4.422 4.640 0.004 0.000 0.204 461 D C 1.550 177.859 176.300 0.014 0.000 0.982 461 D CA 1.679 55.681 54.000 0.002 0.000 0.857 461 D CB -0.319 40.481 40.800 0.001 0.000 0.934 461 D HN 0.529 nan 8.370 nan 0.000 0.475 462 T N -2.056 112.509 114.554 0.019 0.000 3.215 462 T HA 0.073 4.425 4.350 0.004 0.000 0.254 462 T C 0.905 175.637 174.700 0.053 0.000 1.149 462 T CA -0.544 61.576 62.100 0.033 0.000 1.042 462 T CB -0.687 68.201 68.868 0.032 0.000 0.966 462 T HN 0.204 nan 8.240 nan 0.000 0.534 463 L N 1.583 122.838 121.223 0.054 0.000 2.369 463 L HA 0.443 4.785 4.340 0.004 0.000 0.279 463 L C -0.392 176.531 176.870 0.088 0.000 1.108 463 L CA -0.365 54.528 54.840 0.088 0.000 0.852 463 L CB 0.358 42.468 42.059 0.084 0.000 1.169 463 L HN 0.099 nan 8.230 nan 0.000 0.452 464 K N 3.295 123.770 120.400 0.124 0.000 2.375 464 K HA 0.570 4.892 4.320 0.004 0.000 0.249 464 K C -1.281 175.413 176.600 0.156 0.000 0.942 464 K CA -0.685 55.673 56.287 0.118 0.000 0.806 464 K CB 2.676 35.251 32.500 0.124 0.000 1.227 464 K HN 0.278 nan 8.250 nan 0.000 0.430 465 V N 1.452 121.413 119.914 0.077 0.000 2.481 465 V HA 0.783 4.906 4.120 0.004 0.000 0.286 465 V C 0.147 176.210 176.094 -0.051 0.000 1.042 465 V CA -0.301 62.015 62.300 0.026 0.000 0.928 465 V CB 1.519 33.315 31.823 -0.045 0.000 0.986 465 V HN 0.926 nan 8.190 nan 0.000 0.462 466 G N 2.958 111.528 108.800 -0.384 0.000 2.732 466 G HA2 0.564 4.526 3.960 0.004 0.000 0.296 466 G HA3 0.564 4.526 3.960 0.004 0.000 0.296 466 G C -1.935 172.392 174.900 -0.956 0.000 1.448 466 G CA -0.564 44.209 45.100 -0.545 0.000 0.911 466 G HN 0.488 nan 8.290 nan 0.000 0.528 467 F N 2.614 122.240 119.950 -0.540 0.000 2.443 467 F HA 0.683 5.213 4.527 0.004 0.000 0.335 467 F C -0.130 175.524 175.800 -0.243 0.000 1.104 467 F CA -1.018 56.637 58.000 -0.575 0.000 1.013 467 F CB 1.745 40.238 39.000 -0.844 0.000 1.136 467 F HN 0.478 nan 8.300 nan 0.000 0.470 468 N N 4.752 122.961 118.700 -0.819 0.000 2.295 468 N HA 0.318 5.061 4.740 0.004 0.000 0.293 468 N C -0.132 174.876 175.510 -0.838 0.000 1.040 468 N CA -0.127 52.647 53.050 -0.460 0.000 0.840 468 N CB 2.133 40.598 38.487 -0.038 0.000 1.468 468 N HN 0.806 nan 8.380 nan 0.000 0.478 469 A N 2.740 125.309 122.820 -0.417 0.000 2.125 469 A HA -0.022 4.300 4.320 0.004 0.000 0.219 469 A C 1.531 179.028 177.584 -0.145 0.000 1.156 469 A CA 1.415 53.331 52.037 -0.202 0.000 0.671 469 A CB -0.131 18.919 19.000 0.084 0.000 0.794 469 A HN 0.483 nan 8.150 nan 0.000 0.459 470 V N -1.532 118.327 119.914 -0.091 0.000 3.125 470 V HA -0.013 4.109 4.120 0.004 0.000 0.249 470 V C 1.457 177.431 176.094 -0.200 0.000 1.113 470 V CA 1.155 63.422 62.300 -0.055 0.000 1.106 470 V CB -0.715 31.151 31.823 0.071 0.000 0.768 470 V HN 0.733 nan 8.190 nan 0.000 0.468 471 H N -0.438 118.529 119.070 -0.171 0.000 2.785 471 H HA 0.452 5.010 4.556 0.004 0.000 0.268 471 H C 1.262 176.518 175.328 -0.119 0.000 1.153 471 H CA 0.534 56.517 56.048 -0.109 0.000 1.111 471 H CB 1.072 30.787 29.762 -0.078 0.000 1.633 471 H HN 0.453 nan 8.280 nan 0.000 0.576 472 G N 1.127 109.804 108.800 -0.205 0.000 2.698 472 G HA2 -0.315 3.648 3.960 0.004 0.000 0.233 472 G HA3 -0.315 3.648 3.960 0.004 0.000 0.233 472 G C -0.549 174.202 174.900 -0.249 0.000 1.352 472 G CA -0.539 44.442 45.100 -0.198 0.000 0.879 472 G HN 0.320 nan 8.290 nan 0.000 0.567 473 Y N 0.160 120.576 120.300 0.194 0.000 2.511 473 Y HA 0.469 5.021 4.550 0.004 0.000 0.347 473 Y C 1.070 177.022 175.900 0.087 0.000 1.257 473 Y CA 1.640 59.822 58.100 0.137 0.000 1.469 473 Y CB 0.530 39.143 38.460 0.255 0.000 1.353 473 Y HN 0.918 nan 8.280 nan 0.000 0.617 474 Y N -1.904 118.549 120.300 0.254 0.000 2.689 474 Y HA 0.677 5.229 4.550 0.004 0.000 0.333 474 Y C -1.889 174.073 175.900 0.104 0.000 1.208 474 Y CA -2.373 55.800 58.100 0.122 0.000 1.055 474 Y CB 0.531 39.014 38.460 0.039 0.000 1.304 474 Y HN 0.348 nan 8.280 nan 0.000 0.455 475 I N 2.651 123.457 120.570 0.394 0.000 2.362 475 I HA 0.361 4.533 4.170 0.004 0.000 0.289 475 I C -0.530 175.836 176.117 0.414 0.000 0.994 475 I CA -0.721 60.780 61.300 0.335 0.000 1.158 475 I CB 1.828 39.904 38.000 0.127 0.000 1.315 475 I HN 0.661 nan 8.210 nan 0.000 0.451 476 Q N 6.946 126.976 119.800 0.383 0.000 2.256 476 Q HA 0.686 5.029 4.340 0.004 0.000 0.257 476 Q C -1.454 174.669 176.000 0.206 0.000 0.936 476 Q CA -0.578 55.338 55.803 0.188 0.000 0.903 476 Q CB 1.927 30.725 28.738 0.099 0.000 1.263 476 Q HN 0.614 nan 8.270 nan 0.000 0.440 477 I N 2.243 122.930 120.570 0.194 0.000 2.647 477 I HA 0.235 4.407 4.170 0.004 0.000 0.295 477 I C 0.013 176.189 176.117 0.098 0.000 1.078 477 I CA -0.908 60.489 61.300 0.162 0.000 1.048 477 I CB 2.300 40.427 38.000 0.212 0.000 1.239 477 I HN 0.756 nan 8.210 nan 0.000 0.421 478 S N 4.817 120.556 115.700 0.066 0.000 2.573 478 S HA 0.092 4.564 4.470 0.004 0.000 0.277 478 S C 1.075 175.711 174.600 0.061 0.000 1.346 478 S CA -0.240 57.987 58.200 0.045 0.000 1.034 478 S CB 1.003 64.225 63.200 0.037 0.000 0.879 478 S HN 0.836 nan 8.310 nan 0.000 0.528 479 R N 1.477 122.006 120.500 0.048 0.000 2.148 479 R HA 0.001 4.344 4.340 0.004 0.000 0.223 479 R C 2.170 178.529 176.300 0.097 0.000 1.088 479 R CA 1.262 57.401 56.100 0.065 0.000 0.985 479 R CB -1.185 29.135 30.300 0.033 0.000 0.880 479 R HN 0.868 nan 8.270 nan 0.000 0.451 480 G N 0.220 109.068 108.800 0.080 0.000 2.432 480 G HA2 -0.252 3.711 3.960 0.004 0.000 0.219 480 G HA3 -0.252 3.711 3.960 0.004 0.000 0.219 480 G C 1.094 176.094 174.900 0.167 0.000 1.135 480 G CA 0.525 45.687 45.100 0.103 0.000 0.767 480 G HN 0.439 nan 8.290 nan 0.000 0.550 481 Q N 0.067 119.922 119.800 0.092 0.000 2.217 481 Q HA 0.109 4.452 4.340 0.004 0.000 0.217 481 Q C 2.403 178.359 176.000 -0.073 0.000 0.844 481 Q CA 0.414 56.206 55.803 -0.019 0.000 0.957 481 Q CB 0.701 29.418 28.738 -0.035 0.000 1.127 481 Q HN 0.563 nan 8.270 nan 0.000 0.503 482 S N 0.777 116.525 115.700 0.080 0.000 2.423 482 S HA -0.168 4.305 4.470 0.004 0.000 0.231 482 S C 1.761 176.410 174.600 0.081 0.000 1.014 482 S CA 1.046 59.323 58.200 0.129 0.000 0.965 482 S CB -0.465 62.861 63.200 0.209 0.000 0.785 482 S HN 0.576 nan 8.310 nan 0.000 0.495 483 H N 0.434 119.519 119.070 0.026 0.000 2.556 483 H HA 0.305 4.863 4.556 0.004 0.000 0.268 483 H C 1.309 176.612 175.328 -0.041 0.000 0.996 483 H CA 0.237 56.287 56.048 0.004 0.000 1.157 483 H CB -0.289 29.476 29.762 0.005 0.000 1.355 483 H HN 0.431 nan 8.280 nan 0.000 0.597 484 L N 0.693 121.599 121.223 -0.529 0.000 2.766 484 L HA 0.415 4.757 4.340 0.004 0.000 0.242 484 L C 0.986 177.651 176.870 -0.343 0.000 1.136 484 L CA -0.177 54.389 54.840 -0.458 0.000 0.933 484 L CB 0.357 42.097 42.059 -0.532 0.000 1.241 484 L HN 0.209 nan 8.230 nan 0.000 0.522 485 A N 0.559 123.155 122.820 -0.373 0.000 2.386 485 A HA 0.455 4.778 4.320 0.004 0.000 0.248 485 A C -2.188 175.067 177.584 -0.549 0.000 1.082 485 A CA -0.962 50.732 52.037 -0.571 0.000 0.789 485 A CB -0.418 18.115 19.000 -0.778 0.000 1.025 485 A HN -0.038 nan 8.150 nan 0.000 0.490 486 P HA -0.003 nan 4.420 nan 0.000 0.265 486 P C 0.731 177.876 177.300 -0.258 0.000 1.187 486 P CA -0.309 62.538 63.100 -0.421 0.000 0.766 486 P CB 0.239 31.689 31.700 -0.418 0.000 0.820 487 I N 2.142 122.639 120.570 -0.121 0.000 2.567 487 I HA -0.180 3.993 4.170 0.004 0.000 0.257 487 I C 1.794 177.924 176.117 0.022 0.000 1.184 487 I CA 1.370 62.646 61.300 -0.041 0.000 1.451 487 I CB -1.625 36.361 38.000 -0.023 0.000 1.089 487 I HN 0.483 nan 8.210 nan 0.000 0.441 488 N N -0.383 118.347 118.700 0.050 0.000 2.270 488 N HA -0.164 4.578 4.740 0.004 0.000 0.181 488 N C 0.160 175.790 175.510 0.200 0.000 1.016 488 N CA 0.243 53.364 53.050 0.118 0.000 0.870 488 N CB 0.017 38.583 38.487 0.132 0.000 0.979 488 N HN 0.051 nan 8.380 nan 0.000 0.431 489 Y N 2.089 122.351 120.300 -0.064 0.000 2.677 489 Y HA 0.023 4.576 4.550 0.004 0.000 0.335 489 Y C 0.210 176.176 175.900 0.111 0.000 1.162 489 Y CA -0.165 57.906 58.100 -0.048 0.000 1.483 489 Y CB -0.330 37.900 38.460 -0.382 0.000 1.209 489 Y HN 0.063 nan 8.280 nan 0.000 0.528 490 M N 4.628 124.390 119.600 0.270 0.000 2.120 490 M HA 0.364 4.846 4.480 0.004 0.000 0.354 490 M C 0.316 176.817 176.300 0.334 0.000 1.287 490 M CA -0.401 55.050 55.300 0.251 0.000 1.103 490 M CB 0.917 33.603 32.600 0.142 0.000 1.623 490 M HN 0.513 nan 8.290 nan 0.000 0.471 491 R N 2.918 123.600 120.500 0.303 0.000 2.489 491 R HA 0.120 4.463 4.340 0.004 0.000 0.287 491 R C 0.347 176.644 176.300 -0.005 0.000 1.053 491 R CA 0.416 56.548 56.100 0.053 0.000 1.036 491 R CB 0.721 31.030 30.300 0.015 0.000 0.966 491 R HN 1.008 nan 8.270 nan 0.000 0.432 492 R N 2.092 122.536 120.500 -0.093 0.000 2.437 492 R HA 0.123 4.465 4.340 0.004 0.000 0.184 492 R C -0.269 176.013 176.300 -0.030 0.000 0.850 492 R CA -0.006 56.086 56.100 -0.013 0.000 1.073 492 R CB 0.651 30.973 30.300 0.036 0.000 1.336 492 R HN 0.674 nan 8.270 nan 0.000 0.640 493 Q N 0.973 120.672 119.800 -0.167 0.000 2.271 493 Q HA 0.308 4.651 4.340 0.004 0.000 0.268 493 Q C -1.649 174.165 176.000 -0.311 0.000 1.021 493 Q CA -0.605 55.049 55.803 -0.249 0.000 0.802 493 Q CB 2.583 31.056 28.738 -0.443 0.000 1.282 493 Q HN 0.162 nan 8.270 nan 0.000 0.431 494 T N 3.493 117.903 114.554 -0.239 0.000 2.902 494 T HA 0.672 5.025 4.350 0.004 0.000 0.283 494 T C -0.564 174.019 174.700 -0.194 0.000 1.009 494 T CA -0.306 61.668 62.100 -0.209 0.000 1.051 494 T CB 0.718 69.504 68.868 -0.137 0.000 0.999 494 T HN 0.438 nan 8.240 nan 0.000 0.474 495 L N 1.125 122.248 121.223 -0.166 0.000 2.322 495 L HA 0.543 4.886 4.340 0.004 0.000 0.252 495 L C 1.612 178.430 176.870 -0.088 0.000 1.055 495 L CA -0.959 53.802 54.840 -0.132 0.000 0.849 495 L CB 0.974 42.943 42.059 -0.151 0.000 1.446 495 L HN 0.427 nan 8.230 nan 0.000 0.416 496 K N 0.157 120.517 120.400 -0.067 0.000 2.044 496 K HA -0.088 4.235 4.320 0.004 0.000 0.210 496 K C 0.407 176.985 176.600 -0.037 0.000 1.049 496 K CA 1.758 58.018 56.287 -0.045 0.000 0.927 496 K CB 0.083 32.561 32.500 -0.036 0.000 0.713 496 K HN 0.554 nan 8.250 nan 0.000 0.443 497 N N -0.823 117.854 118.700 -0.039 0.000 2.299 497 N HA 0.174 4.916 4.740 0.004 0.000 0.246 497 N C -1.237 174.259 175.510 -0.023 0.000 1.254 497 N CA 0.135 53.171 53.050 -0.023 0.000 0.879 497 N CB 1.701 40.178 38.487 -0.016 0.000 1.214 497 N HN 0.118 nan 8.380 nan 0.000 0.510 498 A N 0.504 123.296 122.820 -0.046 0.000 2.594 498 A HA 0.509 4.832 4.320 0.004 0.000 0.296 498 A C -1.597 175.923 177.584 -0.107 0.000 1.056 498 A CA -0.544 51.461 52.037 -0.052 0.000 0.693 498 A CB 1.693 20.656 19.000 -0.061 0.000 1.278 498 A HN 0.066 nan 8.150 nan 0.000 0.408 499 E N 0.887 121.026 120.200 -0.103 0.000 2.279 499 E HA 0.539 4.891 4.350 0.004 0.000 0.252 499 E C -0.678 175.708 176.600 -0.357 0.000 0.894 499 E CA -0.291 55.968 56.400 -0.236 0.000 0.785 499 E CB 0.814 30.416 29.700 -0.162 0.000 1.237 499 E HN 0.552 nan 8.360 nan 0.000 0.418 500 R N 3.083 123.312 120.500 -0.451 0.000 2.357 500 R HA 0.403 4.745 4.340 0.004 0.000 0.296 500 R C -0.714 175.342 176.300 -0.406 0.000 1.052 500 R CA -0.173 55.697 56.100 -0.383 0.000 0.988 500 R CB 0.741 30.674 30.300 -0.612 0.000 1.025 500 R HN 0.474 nan 8.270 nan 0.000 0.469 501 Y N 1.320 121.652 120.300 0.053 0.000 2.659 501 Y HA 0.613 5.166 4.550 0.004 0.000 0.333 501 Y C -0.350 175.547 175.900 -0.005 0.000 1.064 501 Y CA -1.219 56.910 58.100 0.048 0.000 1.141 501 Y CB 1.366 39.906 38.460 0.133 0.000 1.316 501 Y HN 0.358 nan 8.280 nan 0.000 0.509 502 I N 2.115 122.762 120.570 0.128 0.000 2.722 502 I HA 0.552 4.724 4.170 0.004 0.000 0.295 502 I C -1.358 174.739 176.117 -0.033 0.000 1.161 502 I CA -1.091 60.235 61.300 0.045 0.000 1.032 502 I CB 1.719 39.781 38.000 0.104 0.000 1.244 502 I HN 0.536 nan 8.210 nan 0.000 0.421 503 I N 4.331 124.861 120.570 -0.067 0.000 3.002 503 I HA 0.664 4.836 4.170 0.004 0.000 0.310 503 I C -2.303 173.822 176.117 0.012 0.000 1.087 503 I CA -2.203 59.065 61.300 -0.053 0.000 1.017 503 I CB 1.818 39.736 38.000 -0.137 0.000 1.226 503 I HN 0.293 nan 8.210 nan 0.000 0.443 504 P HA -0.219 nan 4.420 nan 0.000 0.214 504 P C 1.401 178.732 177.300 0.051 0.000 1.163 504 P CA 1.680 64.805 63.100 0.043 0.000 0.889 504 P CB 0.072 31.796 31.700 0.039 0.000 0.790 505 E N -0.766 119.462 120.200 0.047 0.000 2.169 505 E HA -0.230 4.123 4.350 0.004 0.000 0.202 505 E C 1.842 178.500 176.600 0.097 0.000 1.016 505 E CA 1.062 57.502 56.400 0.066 0.000 0.817 505 E CB -0.461 29.277 29.700 0.063 0.000 0.736 505 E HN 0.169 nan 8.360 nan 0.000 0.462 506 L N 0.037 121.311 121.223 0.084 0.000 2.168 506 L HA -0.066 4.277 4.340 0.004 0.000 0.203 506 L C 2.627 179.589 176.870 0.153 0.000 1.078 506 L CA 1.135 56.044 54.840 0.115 0.000 0.780 506 L CB -0.233 41.869 42.059 0.071 0.000 0.939 506 L HN 0.076 nan 8.230 nan 0.000 0.451 507 K N 0.495 120.970 120.400 0.124 0.000 2.103 507 K HA -0.279 4.043 4.320 0.004 0.000 0.207 507 K C 1.902 178.568 176.600 0.110 0.000 1.048 507 K CA 1.982 58.346 56.287 0.129 0.000 0.930 507 K CB -0.152 32.406 32.500 0.097 0.000 0.716 507 K HN 0.351 nan 8.250 nan 0.000 0.444 508 E N -0.530 119.725 120.200 0.092 0.000 2.072 508 E HA -0.248 4.105 4.350 0.004 0.000 0.191 508 E C 1.867 178.506 176.600 0.064 0.000 0.985 508 E CA 1.053 57.493 56.400 0.067 0.000 0.801 508 E CB -0.302 29.430 29.700 0.054 0.000 0.750 508 E HN 0.573 nan 8.360 nan 0.000 0.452 509 Y N 1.430 121.695 120.300 -0.057 0.000 2.421 509 Y HA -0.076 4.477 4.550 0.004 0.000 0.292 509 Y C 2.063 177.894 175.900 -0.115 0.000 1.136 509 Y CA 1.604 59.621 58.100 -0.138 0.000 1.255 509 Y CB 0.091 38.434 38.460 -0.195 0.000 0.991 509 Y HN 0.099 nan 8.280 nan 0.000 0.552 510 E N -0.145 120.098 120.200 0.072 0.000 2.077 510 E HA -0.224 4.129 4.350 0.004 0.000 0.193 510 E C 1.493 178.130 176.600 0.061 0.000 0.989 510 E CA 1.490 57.999 56.400 0.182 0.000 0.800 510 E CB -0.039 29.852 29.700 0.319 0.000 0.746 510 E HN 0.565 nan 8.360 nan 0.000 0.452 511 D N 0.070 120.485 120.400 0.024 0.000 2.120 511 D HA -0.080 4.563 4.640 0.004 0.000 0.202 511 D C 1.852 178.121 176.300 -0.051 0.000 0.972 511 D CA 0.694 54.695 54.000 0.003 0.000 0.837 511 D CB 0.062 40.875 40.800 0.021 0.000 0.989 511 D HN 0.078 nan 8.370 nan 0.000 0.469 512 K N 0.585 120.930 120.400 -0.090 0.000 2.089 512 K HA -0.129 4.194 4.320 0.004 0.000 0.210 512 K C 2.139 178.638 176.600 -0.168 0.000 1.048 512 K CA 0.842 57.061 56.287 -0.114 0.000 0.926 512 K CB -0.023 32.382 32.500 -0.158 0.000 0.714 512 K HN 0.019 nan 8.250 nan 0.000 0.448 513 V N 1.312 121.046 119.914 -0.300 0.000 2.346 513 V HA -0.161 3.961 4.120 0.004 0.000 0.244 513 V C 2.162 178.162 176.094 -0.157 0.000 1.037 513 V CA 1.303 63.421 62.300 -0.303 0.000 1.029 513 V CB -0.231 31.309 31.823 -0.473 0.000 0.663 513 V HN 0.253 nan 8.190 nan 0.000 0.454 514 L N 0.370 121.533 121.223 -0.101 0.000 2.095 514 L HA -0.110 4.233 4.340 0.004 0.000 0.204 514 L C 2.840 179.646 176.870 -0.107 0.000 1.080 514 L CA 1.981 56.776 54.840 -0.076 0.000 0.759 514 L CB -1.020 41.035 42.059 -0.007 0.000 0.914 514 L HN 0.561 nan 8.230 nan 0.000 0.439 515 T N -3.078 111.415 114.554 -0.101 0.000 2.788 515 T HA -0.163 4.189 4.350 0.004 0.000 0.268 515 T C 2.043 176.572 174.700 -0.285 0.000 1.044 515 T CA 1.338 63.350 62.100 -0.146 0.000 1.139 515 T CB -0.504 68.313 68.868 -0.085 0.000 0.867 515 T HN 0.423 nan 8.240 nan 0.000 0.454 516 S N 1.257 116.821 115.700 -0.227 0.000 2.406 516 S HA 0.025 4.497 4.470 0.004 0.000 0.228 516 S C 2.133 176.533 174.600 -0.334 0.000 1.020 516 S CA 0.640 58.644 58.200 -0.326 0.000 0.965 516 S CB -0.445 62.832 63.200 0.128 0.000 0.798 516 S HN 0.498 nan 8.310 nan 0.000 0.488 517 K N 1.103 121.378 120.400 -0.207 0.000 2.057 517 K HA 0.007 4.329 4.320 0.004 0.000 0.206 517 K C 2.287 178.764 176.600 -0.205 0.000 1.050 517 K CA 1.169 57.356 56.287 -0.166 0.000 0.935 517 K CB -0.737 31.684 32.500 -0.131 0.000 0.715 517 K HN 0.527 nan 8.250 nan 0.000 0.439 518 G N 1.196 109.859 108.800 -0.227 0.000 2.403 518 G HA2 -0.183 3.780 3.960 0.004 0.000 0.216 518 G HA3 -0.183 3.780 3.960 0.004 0.000 0.216 518 G C 1.469 176.189 174.900 -0.300 0.000 1.154 518 G CA 0.270 45.242 45.100 -0.215 0.000 0.784 518 G HN 0.108 nan 8.290 nan 0.000 0.538 519 K N 0.939 121.039 120.400 -0.499 0.000 2.097 519 K HA 0.018 4.341 4.320 0.004 0.000 0.206 519 K C 2.772 178.979 176.600 -0.654 0.000 1.049 519 K CA 1.216 57.061 56.287 -0.736 0.000 0.933 519 K CB -0.497 31.067 32.500 -1.560 0.000 0.717 519 K HN 0.276 nan 8.250 nan 0.000 0.442 520 A N 0.270 122.759 122.820 -0.552 0.000 2.016 520 A HA -0.039 4.283 4.320 0.004 0.000 0.217 520 A C 2.175 179.683 177.584 -0.126 0.000 1.162 520 A CA 0.761 52.654 52.037 -0.240 0.000 0.662 520 A CB -0.215 18.731 19.000 -0.089 0.000 0.812 520 A HN 0.166 nan 8.150 nan 0.000 0.450 521 L N -1.050 120.082 121.223 -0.151 0.000 2.162 521 L HA 0.073 4.416 4.340 0.004 0.000 0.205 521 L C 2.844 179.665 176.870 -0.082 0.000 1.086 521 L CA 1.220 56.000 54.840 -0.099 0.000 0.778 521 L CB -0.278 41.720 42.059 -0.100 0.000 0.928 521 L HN 0.341 nan 8.230 nan 0.000 0.446 522 A N -0.696 122.061 122.820 -0.106 0.000 1.902 522 A HA -0.199 4.123 4.320 0.004 0.000 0.217 522 A C 2.140 179.703 177.584 -0.035 0.000 1.181 522 A CA 1.788 53.782 52.037 -0.072 0.000 0.623 522 A CB -0.730 18.215 19.000 -0.092 0.000 0.818 522 A HN 0.348 nan 8.150 nan 0.000 0.443 523 L N 0.112 121.313 121.223 -0.037 0.000 2.072 523 L HA -0.073 4.270 4.340 0.004 0.000 0.205 523 L C 2.256 179.156 176.870 0.050 0.000 1.079 523 L CA 2.660 57.516 54.840 0.027 0.000 0.752 523 L CB -0.765 41.337 42.059 0.073 0.000 0.906 523 L HN 0.603 nan 8.230 nan 0.000 0.436 524 E N -0.267 119.953 120.200 0.034 0.000 2.058 524 E HA -0.284 4.068 4.350 0.004 0.000 0.194 524 E C 2.148 178.774 176.600 0.043 0.000 0.997 524 E CA 1.739 58.164 56.400 0.042 0.000 0.801 524 E CB -0.148 29.555 29.700 0.006 0.000 0.746 524 E HN 0.464 nan 8.360 nan 0.000 0.450 525 K N -0.027 120.380 120.400 0.011 0.000 2.209 525 K HA -0.170 4.153 4.320 0.004 0.000 0.204 525 K C 2.344 178.982 176.600 0.064 0.000 1.048 525 K CA 1.149 57.449 56.287 0.022 0.000 0.940 525 K CB -0.060 32.435 32.500 -0.007 0.000 0.729 525 K HN 0.252 nan 8.250 nan 0.000 0.451 526 Q N 0.772 120.603 119.800 0.052 0.000 2.096 526 Q HA -0.063 4.279 4.340 0.004 0.000 0.197 526 Q C 2.110 178.150 176.000 0.066 0.000 0.964 526 Q CA 0.980 56.816 55.803 0.055 0.000 0.838 526 Q CB 0.092 28.858 28.738 0.048 0.000 0.906 526 Q HN 0.319 nan 8.270 nan 0.000 0.444 527 L N -0.384 120.894 121.223 0.092 0.000 2.093 527 L HA -0.194 4.149 4.340 0.004 0.000 0.208 527 L C 2.365 179.272 176.870 0.061 0.000 1.085 527 L CA 1.212 56.130 54.840 0.129 0.000 0.755 527 L CB -0.554 41.628 42.059 0.204 0.000 0.904 527 L HN 0.241 nan 8.230 nan 0.000 0.435 528 Y N 0.880 121.118 120.300 -0.104 0.000 2.133 528 Y HA -0.229 4.324 4.550 0.004 0.000 0.287 528 Y C 2.622 178.279 175.900 -0.405 0.000 1.134 528 Y CA 1.567 59.520 58.100 -0.245 0.000 1.133 528 Y CB 0.030 38.355 38.460 -0.224 0.000 0.987 528 Y HN 0.102 nan 8.280 nan 0.000 0.502 529 E N 0.341 120.437 120.200 -0.174 0.000 2.204 529 E HA -0.237 4.115 4.350 0.004 0.000 0.195 529 E C 2.023 178.535 176.600 -0.147 0.000 0.990 529 E CA 1.169 57.439 56.400 -0.216 0.000 0.821 529 E CB -0.244 29.485 29.700 0.047 0.000 0.750 529 E HN 0.675 nan 8.360 nan 0.000 0.477 530 E N 0.355 120.504 120.200 -0.084 0.000 2.110 530 E HA -0.172 4.180 4.350 0.004 0.000 0.193 530 E C 1.943 178.520 176.600 -0.039 0.000 0.988 530 E CA 0.371 56.764 56.400 -0.012 0.000 0.804 530 E CB 0.120 29.849 29.700 0.049 0.000 0.745 530 E HN 0.062 nan 8.360 nan 0.000 0.458 531 L N 0.450 121.564 121.223 -0.181 0.000 2.043 531 L HA -0.211 4.132 4.340 0.004 0.000 0.212 531 L C 2.157 178.990 176.870 -0.061 0.000 1.075 531 L CA 1.578 56.303 54.840 -0.192 0.000 0.752 531 L CB -0.992 40.802 42.059 -0.441 0.000 0.891 531 L HN 0.205 nan 8.230 nan 0.000 0.432 532 F N 0.209 120.083 119.950 -0.128 0.000 2.126 532 F HA -0.206 4.323 4.527 0.004 0.000 0.299 532 F C 2.446 178.238 175.800 -0.013 0.000 1.096 532 F CA 1.094 59.046 58.000 -0.080 0.000 1.255 532 F CB -1.117 37.836 39.000 -0.077 0.000 0.997 532 F HN 0.300 nan 8.300 nan 0.000 0.479 533 D N -0.245 120.266 120.400 0.185 0.000 2.234 533 D HA -0.083 4.559 4.640 0.004 0.000 0.205 533 D C 2.475 178.848 176.300 0.121 0.000 0.962 533 D CA 0.661 54.739 54.000 0.130 0.000 0.855 533 D CB -0.217 40.642 40.800 0.098 0.000 0.951 533 D HN 0.293 nan 8.370 nan 0.000 0.500 534 L N 0.424 121.719 121.223 0.120 0.000 2.072 534 L HA -0.082 4.261 4.340 0.004 0.000 0.205 534 L C 2.572 179.553 176.870 0.185 0.000 1.079 534 L CA 0.618 55.539 54.840 0.135 0.000 0.752 534 L CB -0.218 41.910 42.059 0.114 0.000 0.906 534 L HN -0.017 nan 8.230 nan 0.000 0.436 535 L N -1.173 120.151 121.223 0.168 0.000 2.005 535 L HA -0.221 4.122 4.340 0.004 0.000 0.207 535 L C 2.485 179.486 176.870 0.218 0.000 1.072 535 L CA 0.553 55.504 54.840 0.186 0.000 0.744 535 L CB -0.558 41.592 42.059 0.153 0.000 0.895 535 L HN 0.168 nan 8.230 nan 0.000 0.433 536 L N 0.230 121.548 121.223 0.157 0.000 2.051 536 L HA -0.184 4.159 4.340 0.004 0.000 0.214 536 L C -0.103 176.825 176.870 0.097 0.000 1.076 536 L CA 2.261 57.165 54.840 0.107 0.000 0.758 536 L CB -2.112 39.992 42.059 0.075 0.000 0.890 536 L HN 0.132 nan 8.230 nan 0.000 0.433 537 P HA -0.171 nan 4.420 nan 0.000 0.217 537 P C 0.877 178.103 177.300 -0.124 0.000 1.148 537 P CA 1.553 64.631 63.100 -0.037 0.000 0.834 537 P CB -0.092 31.553 31.700 -0.091 0.000 0.783 538 H N -2.442 116.675 119.070 0.077 0.000 2.539 538 H HA 0.113 4.672 4.556 0.004 0.000 0.269 538 H C 1.595 176.980 175.328 0.094 0.000 0.980 538 H CA -0.232 55.878 56.048 0.102 0.000 1.152 538 H CB -0.624 29.218 29.762 0.133 0.000 1.407 538 H HN -0.019 nan 8.280 nan 0.000 0.564 539 L N 1.123 122.434 121.223 0.148 0.000 2.051 539 L HA -0.232 4.110 4.340 0.004 0.000 0.214 539 L C 2.179 179.117 176.870 0.114 0.000 1.076 539 L CA 1.907 56.812 54.840 0.108 0.000 0.758 539 L CB -0.347 41.759 42.059 0.080 0.000 0.890 539 L HN 0.365 nan 8.230 nan 0.000 0.433 540 E N -0.777 119.490 120.200 0.113 0.000 2.031 540 E HA -0.231 4.121 4.350 0.004 0.000 0.193 540 E C 2.092 178.777 176.600 0.142 0.000 0.994 540 E CA 1.159 57.624 56.400 0.110 0.000 0.800 540 E CB -0.243 29.509 29.700 0.087 0.000 0.752 540 E HN 0.628 nan 8.360 nan 0.000 0.447 541 A N 0.754 123.688 122.820 0.190 0.000 2.019 541 A HA -0.141 4.181 4.320 0.004 0.000 0.219 541 A C 2.135 179.952 177.584 0.389 0.000 1.164 541 A CA 0.927 53.127 52.037 0.271 0.000 0.644 541 A CB -0.469 18.717 19.000 0.311 0.000 0.805 541 A HN 0.270 nan 8.150 nan 0.000 0.449 542 L N -1.240 120.129 121.223 0.244 0.000 2.072 542 L HA -0.196 4.147 4.340 0.004 0.000 0.205 542 L C 2.870 179.788 176.870 0.079 0.000 1.079 542 L CA 1.322 56.181 54.840 0.032 0.000 0.752 542 L CB -0.450 41.564 42.059 -0.076 0.000 0.906 542 L HN 0.447 nan 8.230 nan 0.000 0.436 543 Q N -0.513 119.344 119.800 0.096 0.000 2.084 543 Q HA -0.240 4.102 4.340 0.004 0.000 0.202 543 Q C 2.213 178.275 176.000 0.104 0.000 0.978 543 Q CA 1.333 57.190 55.803 0.089 0.000 0.844 543 Q CB -0.067 28.727 28.738 0.093 0.000 0.898 543 Q HN 0.540 nan 8.270 nan 0.000 0.426 544 Q N -0.376 119.500 119.800 0.127 0.000 2.224 544 Q HA -0.107 4.235 4.340 0.004 0.000 0.203 544 Q C 2.094 178.178 176.000 0.139 0.000 0.970 544 Q CA 0.946 56.822 55.803 0.123 0.000 0.865 544 Q CB -0.056 28.752 28.738 0.118 0.000 0.922 544 Q HN 0.201 nan 8.270 nan 0.000 0.445 545 S N 0.621 116.433 115.700 0.188 0.000 2.335 545 S HA -0.095 4.377 4.470 0.004 0.000 0.217 545 S C 2.073 176.754 174.600 0.134 0.000 1.032 545 S CA 1.040 59.365 58.200 0.208 0.000 0.985 545 S CB -0.133 63.270 63.200 0.340 0.000 0.896 545 S HN 0.449 nan 8.310 nan 0.000 0.445 546 A N 0.765 123.646 122.820 0.102 0.000 1.917 546 A HA -0.135 4.187 4.320 0.004 0.000 0.219 546 A C 2.415 180.037 177.584 0.063 0.000 1.182 546 A CA 2.455 54.532 52.037 0.067 0.000 0.633 546 A CB -1.440 17.587 19.000 0.046 0.000 0.819 546 A HN 0.635 nan 8.150 nan 0.000 0.448 547 S N -0.421 115.324 115.700 0.076 0.000 2.356 547 S HA -0.032 4.441 4.470 0.004 0.000 0.223 547 S C 2.192 176.838 174.600 0.077 0.000 1.032 547 S CA 1.658 59.904 58.200 0.078 0.000 1.005 547 S CB -0.564 62.690 63.200 0.090 0.000 0.867 547 S HN 0.922 nan 8.310 nan 0.000 0.449 548 A N 1.548 124.418 122.820 0.083 0.000 1.883 548 A HA 0.025 4.347 4.320 0.004 0.000 0.217 548 A C 2.255 179.873 177.584 0.057 0.000 1.186 548 A CA 1.691 53.773 52.037 0.076 0.000 0.624 548 A CB -0.942 18.106 19.000 0.079 0.000 0.822 548 A HN 0.597 nan 8.150 nan 0.000 0.444 549 L N -0.935 120.321 121.223 0.055 0.000 2.201 549 L HA -0.123 4.219 4.340 0.004 0.000 0.212 549 L C 2.979 179.855 176.870 0.009 0.000 1.105 549 L CA 0.826 55.688 54.840 0.036 0.000 0.775 549 L CB -0.474 41.613 42.059 0.046 0.000 0.913 549 L HN 0.436 nan 8.230 nan 0.000 0.440 550 A N -0.044 122.779 122.820 0.006 0.000 1.872 550 A HA -0.219 4.104 4.320 0.004 0.000 0.214 550 A C 2.267 179.806 177.584 -0.074 0.000 1.187 550 A CA 1.509 53.526 52.037 -0.034 0.000 0.614 550 A CB -0.452 18.533 19.000 -0.026 0.000 0.826 550 A HN 0.404 nan 8.150 nan 0.000 0.442 551 E N -0.842 119.344 120.200 -0.024 0.000 2.160 551 E HA -0.189 4.163 4.350 0.004 0.000 0.195 551 E C 1.760 178.349 176.600 -0.018 0.000 0.991 551 E CA 0.993 57.387 56.400 -0.011 0.000 0.810 551 E CB -0.108 29.676 29.700 0.140 0.000 0.742 551 E HN 0.395 nan 8.360 nan 0.000 0.466 552 L N 1.106 122.327 121.223 -0.003 0.000 2.023 552 L HA -0.128 4.215 4.340 0.004 0.000 0.205 552 L C 2.015 178.868 176.870 -0.029 0.000 1.073 552 L CA 1.932 56.770 54.840 -0.002 0.000 0.745 552 L CB -0.705 41.357 42.059 0.006 0.000 0.900 552 L HN 0.154 nan 8.230 nan 0.000 0.435 553 D N -0.961 119.413 120.400 -0.042 0.000 2.157 553 D HA -0.204 4.438 4.640 0.004 0.000 0.191 553 D C 2.168 178.411 176.300 -0.095 0.000 1.004 553 D CA 1.607 55.572 54.000 -0.058 0.000 0.854 553 D CB 0.019 40.782 40.800 -0.062 0.000 0.936 553 D HN 0.140 nan 8.370 nan 0.000 0.446 554 V N 0.051 119.866 119.914 -0.165 0.000 2.358 554 V HA -0.169 3.954 4.120 0.004 0.000 0.246 554 V C 2.610 178.619 176.094 -0.142 0.000 1.047 554 V CA 1.162 63.308 62.300 -0.257 0.000 1.035 554 V CB -0.307 31.150 31.823 -0.610 0.000 0.658 554 V HN 0.271 nan 8.190 nan 0.000 0.452 555 L N -0.823 120.362 121.223 -0.065 0.000 2.049 555 L HA -0.066 4.276 4.340 0.004 0.000 0.203 555 L C 2.488 179.358 176.870 0.001 0.000 1.074 555 L CA 0.842 55.697 54.840 0.024 0.000 0.749 555 L CB -0.633 41.474 42.059 0.079 0.000 0.907 555 L HN 0.136 nan 8.230 nan 0.000 0.439 556 V N 0.923 120.833 119.914 -0.008 0.000 2.370 556 V HA -0.373 3.749 4.120 0.004 0.000 0.252 556 V C 2.230 178.316 176.094 -0.014 0.000 1.068 556 V CA 2.415 64.711 62.300 -0.006 0.000 1.061 556 V CB -0.929 30.893 31.823 -0.001 0.000 0.656 556 V HN 0.585 nan 8.190 nan 0.000 0.455 557 N N 0.289 118.973 118.700 -0.027 0.000 2.051 557 N HA -0.144 4.598 4.740 0.004 0.000 0.192 557 N C 1.727 177.225 175.510 -0.019 0.000 1.049 557 N CA 1.744 54.778 53.050 -0.028 0.000 0.845 557 N CB -0.353 38.106 38.487 -0.046 0.000 1.031 557 N HN 0.398 nan 8.380 nan 0.000 0.425 558 L N -0.051 121.168 121.223 -0.007 0.000 2.189 558 L HA -0.201 4.141 4.340 0.004 0.000 0.214 558 L C 2.466 179.318 176.870 -0.030 0.000 1.097 558 L CA 1.185 56.039 54.840 0.023 0.000 0.764 558 L CB -0.761 41.345 42.059 0.079 0.000 0.900 558 L HN 0.373 nan 8.230 nan 0.000 0.436 559 A N -0.282 122.502 122.820 -0.060 0.000 1.855 559 A HA -0.223 4.100 4.320 0.004 0.000 0.215 559 A C 2.349 179.894 177.584 -0.064 0.000 1.191 559 A CA 1.615 53.584 52.037 -0.112 0.000 0.613 559 A CB -0.499 18.455 19.000 -0.076 0.000 0.829 559 A HN 0.376 nan 8.150 nan 0.000 0.442 560 E N 0.175 120.362 120.200 -0.022 0.000 2.058 560 E HA -0.232 4.120 4.350 0.004 0.000 0.194 560 E C 2.179 178.770 176.600 -0.015 0.000 0.997 560 E CA 1.153 57.563 56.400 0.018 0.000 0.801 560 E CB -0.329 29.378 29.700 0.013 0.000 0.746 560 E HN 0.368 nan 8.360 nan 0.000 0.450 561 R N 0.185 120.650 120.500 -0.058 0.000 2.103 561 R HA -0.116 4.226 4.340 0.004 0.000 0.242 561 R C 2.309 178.427 176.300 -0.304 0.000 1.142 561 R CA 1.307 57.327 56.100 -0.134 0.000 0.960 561 R CB -1.058 29.212 30.300 -0.049 0.000 0.858 561 R HN 0.274 nan 8.270 nan 0.000 0.439 562 A N -0.049 122.658 122.820 -0.188 0.000 1.969 562 A HA -0.193 4.129 4.320 0.004 0.000 0.218 562 A C 2.031 179.543 177.584 -0.120 0.000 1.169 562 A CA 1.161 53.088 52.037 -0.183 0.000 0.635 562 A CB -0.587 18.342 19.000 -0.119 0.000 0.810 562 A HN 0.401 nan 8.150 nan 0.000 0.445 563 Y N 1.528 121.717 120.300 -0.185 0.000 2.153 563 Y HA -0.122 4.431 4.550 0.004 0.000 0.289 563 Y C 2.579 178.397 175.900 -0.138 0.000 1.127 563 Y CA 2.151 60.177 58.100 -0.123 0.000 1.131 563 Y CB -0.787 37.617 38.460 -0.094 0.000 0.995 563 Y HN 0.322 nan 8.280 nan 0.000 0.505 564 T N 0.587 114.958 114.554 -0.305 0.000 2.951 564 T HA -0.039 4.314 4.350 0.004 0.000 0.268 564 T C 1.687 176.189 174.700 -0.330 0.000 1.073 564 T CA 1.535 63.402 62.100 -0.389 0.000 1.134 564 T CB -0.326 68.412 68.868 -0.216 0.000 0.884 564 T HN 0.310 nan 8.240 nan 0.000 0.479 565 L N 0.653 121.641 121.223 -0.391 0.000 2.640 565 L HA 0.344 4.686 4.340 0.004 0.000 0.230 565 L C 0.525 177.205 176.870 -0.317 0.000 1.123 565 L CA -0.260 54.341 54.840 -0.399 0.000 0.900 565 L CB -0.638 41.039 42.059 -0.636 0.000 1.146 565 L HN 0.355 nan 8.230 nan 0.000 0.484 566 N N 0.803 119.344 118.700 -0.266 0.000 2.568 566 N HA -0.209 4.533 4.740 0.004 0.000 0.277 566 N C -1.311 174.323 175.510 0.206 0.000 1.200 566 N CA -0.042 52.987 53.050 -0.036 0.000 0.702 566 N CB -0.287 38.197 38.487 -0.005 0.000 0.889 566 N HN 0.113 nan 8.380 nan 0.000 0.546 567 Y N 0.358 120.716 120.300 0.096 0.000 2.509 567 Y HA 0.542 5.095 4.550 0.004 0.000 0.341 567 Y C 0.844 176.863 175.900 0.198 0.000 1.038 567 Y CA -0.981 57.195 58.100 0.126 0.000 1.089 567 Y CB 1.705 40.262 38.460 0.162 0.000 1.241 567 Y HN 0.291 nan 8.280 nan 0.000 0.468 568 T N -2.131 112.552 114.554 0.214 0.000 2.863 568 T HA 0.334 4.687 4.350 0.004 0.000 0.285 568 T C -0.403 174.044 174.700 -0.421 0.000 1.009 568 T CA -0.788 61.292 62.100 -0.033 0.000 0.989 568 T CB 1.195 70.028 68.868 -0.059 0.000 1.004 568 T HN 0.814 nan 8.240 nan 0.000 0.455 569 C N 5.890 124.564 119.300 -1.043 0.000 2.592 569 C HA 0.360 4.823 4.460 0.004 0.000 0.408 569 C C -1.714 172.951 174.990 -0.542 0.000 1.436 569 C CA -0.862 57.506 59.018 -1.084 0.000 1.595 569 C CB -0.820 26.324 27.740 -0.993 0.000 2.487 569 C HN 0.775 nan 8.230 nan 0.000 0.610 570 P HA 0.435 nan 4.420 nan 0.000 0.278 570 P C -0.678 176.258 177.300 -0.606 0.000 1.266 570 P CA -0.013 62.809 63.100 -0.463 0.000 0.807 570 P CB 0.778 32.208 31.700 -0.451 0.000 1.094 571 T N -2.033 112.193 114.554 -0.546 0.000 2.932 571 T HA 0.703 5.055 4.350 0.004 0.000 0.289 571 T C -0.407 173.940 174.700 -0.588 0.000 1.039 571 T CA -0.451 61.319 62.100 -0.548 0.000 1.024 571 T CB 0.608 69.328 68.868 -0.247 0.000 1.090 571 T HN 0.102 nan 8.240 nan 0.000 0.496 572 F N 0.735 120.641 119.950 -0.074 0.000 2.483 572 F HA 0.781 5.310 4.527 0.004 0.000 0.329 572 F C 0.356 176.150 175.800 -0.009 0.000 1.064 572 F CA -1.455 56.520 58.000 -0.043 0.000 0.986 572 F CB 1.192 40.172 39.000 -0.032 0.000 1.218 572 F HN 0.684 nan 8.300 nan 0.000 0.484 573 I N -2.380 118.317 120.570 0.212 0.000 3.264 573 I HA 0.542 4.715 4.170 0.004 0.000 0.315 573 I C -0.239 175.945 176.117 0.112 0.000 1.154 573 I CA -0.862 60.508 61.300 0.116 0.000 0.962 573 I CB 2.009 40.047 38.000 0.062 0.000 1.265 573 I HN 0.362 nan 8.210 nan 0.000 0.463 574 D N 0.790 121.233 120.400 0.073 0.000 2.213 574 D HA 0.067 4.710 4.640 0.004 0.000 0.205 574 D C 0.301 176.631 176.300 0.051 0.000 0.961 574 D CA 1.348 55.388 54.000 0.068 0.000 0.853 574 D CB 0.249 41.080 40.800 0.051 0.000 0.967 574 D HN 0.382 nan 8.370 nan 0.000 0.496 575 K N 0.184 120.590 120.400 0.010 0.000 2.245 575 K HA 0.403 4.725 4.320 0.004 0.000 0.234 575 K C -2.598 173.939 176.600 -0.105 0.000 1.021 575 K CA -1.960 54.289 56.287 -0.062 0.000 0.898 575 K CB 1.266 33.734 32.500 -0.054 0.000 1.163 575 K HN -0.225 nan 8.250 nan 0.000 0.459 576 P HA 0.288 nan 4.420 nan 0.000 0.276 576 P C -0.997 176.256 177.300 -0.079 0.000 1.230 576 P CA -0.303 62.688 63.100 -0.183 0.000 0.776 576 P CB 1.019 32.547 31.700 -0.288 0.000 0.888 577 G N 1.735 110.516 108.800 -0.031 0.000 2.386 577 G HA2 0.465 4.427 3.960 0.004 0.000 0.302 577 G HA3 0.465 4.427 3.960 0.004 0.000 0.302 577 G C -1.960 172.947 174.900 0.012 0.000 1.629 577 G CA -0.618 44.475 45.100 -0.011 0.000 0.917 577 G HN 0.388 nan 8.290 nan 0.000 0.676 578 I N 0.704 121.277 120.570 0.005 0.000 2.534 578 I HA 0.568 4.740 4.170 0.004 0.000 0.288 578 I C -0.339 175.774 176.117 -0.007 0.000 1.077 578 I CA -0.895 60.406 61.300 0.003 0.000 1.051 578 I CB 2.555 40.555 38.000 -0.001 0.000 1.234 578 I HN 0.310 nan 8.210 nan 0.000 0.425 579 R N 6.784 127.274 120.500 -0.016 0.000 2.545 579 R HA 0.561 4.904 4.340 0.004 0.000 0.289 579 R C -1.193 175.094 176.300 -0.023 0.000 1.327 579 R CA -0.574 55.518 56.100 -0.014 0.000 1.040 579 R CB 1.882 32.173 30.300 -0.015 0.000 1.176 579 R HN 0.573 nan 8.270 nan 0.000 0.518 580 I N 1.659 122.223 120.570 -0.010 0.000 2.336 580 I HA 0.238 4.411 4.170 0.004 0.000 0.292 580 I C 0.311 176.437 176.117 0.015 0.000 0.991 580 I CA -0.315 60.979 61.300 -0.009 0.000 1.227 580 I CB 2.044 40.039 38.000 -0.008 0.000 1.366 580 I HN 0.219 nan 8.210 nan 0.000 0.466 581 T N 5.575 120.133 114.554 0.006 0.000 2.771 581 T HA 0.179 4.532 4.350 0.004 0.000 0.281 581 T C -0.152 174.568 174.700 0.033 0.000 0.982 581 T CA -0.421 61.691 62.100 0.021 0.000 0.978 581 T CB 0.610 69.483 68.868 0.009 0.000 0.930 581 T HN 0.590 nan 8.240 nan 0.000 0.447 582 E N 1.151 121.384 120.200 0.055 0.000 2.197 582 E HA -0.157 4.195 4.350 0.004 0.000 0.184 582 E C 0.404 177.057 176.600 0.088 0.000 1.439 582 E CA 0.495 56.941 56.400 0.077 0.000 0.688 582 E CB -1.286 28.454 29.700 0.066 0.000 1.090 582 E HN 0.800 nan 8.360 nan 0.000 0.341 583 G N 0.696 109.556 108.800 0.099 0.000 2.412 583 G HA2 0.622 4.585 3.960 0.004 0.000 0.318 583 G HA3 0.622 4.585 3.960 0.004 0.000 0.318 583 G C -0.099 174.892 174.900 0.151 0.000 1.146 583 G CA -0.741 44.404 45.100 0.075 0.000 0.882 583 G HN 0.086 nan 8.290 nan 0.000 0.501 584 R N -0.524 120.001 120.500 0.042 0.000 2.837 584 R HA 0.350 4.692 4.340 0.004 0.000 0.271 584 R C -0.530 175.607 176.300 -0.272 0.000 0.993 584 R CA -1.011 55.045 56.100 -0.074 0.000 0.931 584 R CB 1.211 31.361 30.300 -0.251 0.000 1.206 584 R HN 0.599 nan 8.270 nan 0.000 0.474 585 H N 4.498 123.202 119.070 -0.610 0.000 3.086 585 H HA 0.065 4.624 4.556 0.004 0.000 0.265 585 H C -1.482 173.596 175.328 -0.418 0.000 1.092 585 H CA -1.612 54.197 56.048 -0.400 0.000 1.487 585 H CB 1.069 30.661 29.762 -0.283 0.000 1.514 585 H HN 0.335 nan 8.280 nan 0.000 0.497 586 P HA -0.153 nan 4.420 nan 0.000 0.221 586 P C 1.352 178.627 177.300 -0.041 0.000 1.145 586 P CA 0.576 63.575 63.100 -0.169 0.000 0.795 586 P CB 0.659 32.233 31.700 -0.209 0.000 0.775 587 V N -0.363 119.585 119.914 0.057 0.000 2.403 587 V HA -0.076 4.047 4.120 0.004 0.000 0.239 587 V C 2.582 178.720 176.094 0.073 0.000 1.041 587 V CA 1.056 63.423 62.300 0.112 0.000 1.051 587 V CB -0.863 31.070 31.823 0.183 0.000 0.704 587 V HN -0.142 nan 8.190 nan 0.000 0.472 588 V N 1.748 121.719 119.914 0.096 0.000 3.026 588 V HA -0.166 3.957 4.120 0.004 0.000 0.265 588 V C 1.945 178.021 176.094 -0.029 0.000 1.121 588 V CA 1.738 64.004 62.300 -0.057 0.000 1.142 588 V CB -1.120 30.565 31.823 -0.230 0.000 0.730 588 V HN 0.867 nan 8.190 nan 0.000 0.503 589 E N -0.585 119.527 120.200 -0.147 0.000 2.320 589 E HA 0.029 4.381 4.350 0.004 0.000 0.189 589 E C 1.227 177.825 176.600 -0.002 0.000 1.100 589 E CA 0.044 56.385 56.400 -0.099 0.000 1.009 589 E CB 0.150 29.670 29.700 -0.301 0.000 1.145 589 E HN 0.522 nan 8.360 nan 0.000 0.454 590 Q N -0.426 119.381 119.800 0.011 0.000 2.521 590 Q HA 0.005 4.348 4.340 0.004 0.000 0.215 590 Q C 2.316 178.328 176.000 0.020 0.000 0.750 590 Q CA 1.131 56.943 55.803 0.016 0.000 0.945 590 Q CB 0.089 28.834 28.738 0.011 0.000 1.320 590 Q HN 0.302 nan 8.270 nan 0.000 0.501 591 V N -0.244 119.681 119.914 0.018 0.000 2.594 591 V HA -0.034 4.088 4.120 0.004 0.000 0.253 591 V C 1.048 177.156 176.094 0.025 0.000 1.069 591 V CA 0.741 63.051 62.300 0.016 0.000 1.082 591 V CB -0.570 31.258 31.823 0.007 0.000 0.680 591 V HN 0.034 nan 8.190 nan 0.000 0.469 592 L N 2.171 123.419 121.223 0.041 0.000 2.367 592 L HA 0.396 4.738 4.340 0.004 0.000 0.275 592 L C 0.905 177.807 176.870 0.052 0.000 1.129 592 L CA 0.402 55.276 54.840 0.056 0.000 0.839 592 L CB 0.478 42.595 42.059 0.098 0.000 1.133 592 L HN 0.197 nan 8.230 nan 0.000 0.453 593 N N 2.510 121.236 118.700 0.044 0.000 2.327 593 N HA 0.078 4.821 4.740 0.004 0.000 0.231 593 N C -0.766 174.770 175.510 0.043 0.000 1.130 593 N CA 0.007 53.080 53.050 0.038 0.000 0.845 593 N CB 0.246 38.750 38.487 0.028 0.000 1.073 593 N HN 0.713 nan 8.380 nan 0.000 0.496 594 E N -1.023 119.211 120.200 0.057 0.000 2.343 594 E HA 0.580 4.932 4.350 0.004 0.000 0.270 594 E C -2.828 173.820 176.600 0.081 0.000 0.895 594 E CA -2.147 54.289 56.400 0.059 0.000 0.767 594 E CB 0.727 30.461 29.700 0.058 0.000 1.248 594 E HN -0.152 nan 8.360 nan 0.000 0.440 595 P HA -0.023 nan 4.420 nan 0.000 0.266 595 P C -1.334 176.042 177.300 0.127 0.000 1.195 595 P CA -0.002 63.158 63.100 0.099 0.000 0.768 595 P CB 0.189 31.930 31.700 0.069 0.000 0.838 596 F N 3.678 123.645 119.950 0.029 0.000 2.424 596 F HA 0.292 4.822 4.527 0.004 0.000 0.356 596 F C 0.047 175.870 175.800 0.038 0.000 1.110 596 F CA -0.789 57.226 58.000 0.024 0.000 1.161 596 F CB 0.268 39.283 39.000 0.025 0.000 1.115 596 F HN 0.115 nan 8.300 nan 0.000 0.507 597 I N 6.790 127.075 120.570 -0.475 0.000 2.483 597 I HA 0.153 4.326 4.170 0.004 0.000 0.291 597 I C 0.712 176.712 176.117 -0.195 0.000 1.112 597 I CA 0.089 61.242 61.300 -0.247 0.000 1.350 597 I CB -0.372 37.509 38.000 -0.198 0.000 1.419 597 I HN 0.638 nan 8.210 nan 0.000 0.523 598 A N 6.252 129.132 122.820 0.100 0.000 2.386 598 A HA 0.603 4.926 4.320 0.004 0.000 0.248 598 A C 0.233 177.899 177.584 0.137 0.000 1.082 598 A CA -0.232 51.943 52.037 0.230 0.000 0.789 598 A CB 0.235 19.355 19.000 0.200 0.000 1.025 598 A HN 0.686 nan 8.150 nan 0.000 0.490 599 N N 0.052 118.865 118.700 0.188 0.000 2.396 599 N HA 0.646 5.388 4.740 0.004 0.000 0.275 599 N C -3.079 172.544 175.510 0.188 0.000 1.218 599 N CA -1.028 52.120 53.050 0.164 0.000 0.812 599 N CB 2.680 41.291 38.487 0.206 0.000 1.592 599 N HN 0.427 nan 8.380 nan 0.000 0.480 600 P HA 0.613 nan 4.420 nan 0.000 0.289 600 P C -1.309 176.113 177.300 0.204 0.000 1.300 600 P CA -0.600 62.580 63.100 0.135 0.000 0.828 600 P CB 1.725 33.473 31.700 0.080 0.000 1.235 601 L N -0.131 121.169 121.223 0.128 0.000 2.787 601 L HA 0.418 4.760 4.340 0.004 0.000 0.260 601 L C -1.757 175.150 176.870 0.061 0.000 0.921 601 L CA -0.199 54.715 54.840 0.124 0.000 0.984 601 L CB 1.335 43.428 42.059 0.056 0.000 1.519 601 L HN 0.492 nan 8.230 nan 0.000 0.452 602 N N 6.492 125.227 118.700 0.060 0.000 2.623 602 N HA 0.408 5.151 4.740 0.004 0.000 0.256 602 N C -1.835 173.691 175.510 0.028 0.000 1.045 602 N CA -0.484 52.586 53.050 0.033 0.000 0.863 602 N CB 1.000 39.504 38.487 0.028 0.000 1.182 602 N HN 0.659 nan 8.380 nan 0.000 0.523 603 L N 2.434 123.667 121.223 0.016 0.000 2.282 603 L HA 0.449 4.792 4.340 0.004 0.000 0.288 603 L C 0.276 177.145 176.870 -0.002 0.000 1.033 603 L CA -0.376 54.470 54.840 0.009 0.000 0.807 603 L CB 1.577 43.639 42.059 0.006 0.000 1.209 603 L HN 0.571 nan 8.230 nan 0.000 0.423 604 S N 3.067 118.763 115.700 -0.007 0.000 2.671 604 S HA 0.567 5.039 4.470 0.004 0.000 0.277 604 S C -2.516 172.067 174.600 -0.027 0.000 1.165 604 S CA -1.167 57.022 58.200 -0.018 0.000 0.822 604 S CB 2.047 65.240 63.200 -0.012 0.000 1.150 604 S HN 0.282 nan 8.310 nan 0.000 0.479 605 P HA 0.074 nan 4.420 nan 0.000 0.222 605 P C 0.647 177.931 177.300 -0.027 0.000 1.147 605 P CA 1.056 64.132 63.100 -0.041 0.000 0.790 605 P CB 0.029 31.701 31.700 -0.047 0.000 0.780 606 Q N -1.754 118.034 119.800 -0.021 0.000 2.356 606 Q HA 0.145 4.487 4.340 0.004 0.000 0.205 606 Q C 0.970 176.961 176.000 -0.014 0.000 0.901 606 Q CA 0.364 56.157 55.803 -0.016 0.000 0.938 606 Q CB 0.300 29.030 28.738 -0.013 0.000 1.081 606 Q HN 0.014 nan 8.270 nan 0.000 0.517 607 R N 0.619 121.112 120.500 -0.012 0.000 2.684 607 R HA 0.180 4.522 4.340 0.004 0.000 0.252 607 R C -0.119 176.181 176.300 -0.001 0.000 1.628 607 R CA 0.071 56.168 56.100 -0.005 0.000 1.622 607 R CB 0.266 30.567 30.300 0.002 0.000 1.418 607 R HN 0.210 nan 8.270 nan 0.000 0.697 608 R N 0.364 120.860 120.500 -0.007 0.000 2.373 608 R HA 0.308 4.651 4.340 0.004 0.000 0.221 608 R C 0.300 176.605 176.300 0.008 0.000 0.893 608 R CA -0.155 55.942 56.100 -0.004 0.000 1.049 608 R CB 0.662 30.953 30.300 -0.015 0.000 1.119 608 R HN 0.123 nan 8.270 nan 0.000 0.535 609 M N 1.971 121.573 119.600 0.003 0.000 2.326 609 M HA 0.416 4.898 4.480 0.004 0.000 0.306 609 M C -1.794 174.518 176.300 0.021 0.000 1.054 609 M CA -0.839 54.472 55.300 0.018 0.000 0.922 609 M CB 2.115 34.705 32.600 -0.016 0.000 1.632 609 M HN 0.054 nan 8.290 nan 0.000 0.436 610 L N 6.544 127.806 121.223 0.066 0.000 2.295 610 L HA 0.442 4.784 4.340 0.004 0.000 0.281 610 L C -0.564 176.370 176.870 0.107 0.000 1.018 610 L CA -1.100 53.788 54.840 0.079 0.000 0.841 610 L CB 1.131 43.266 42.059 0.128 0.000 1.218 610 L HN 0.600 nan 8.230 nan 0.000 0.424 611 I N 4.785 125.377 120.570 0.036 0.000 2.662 611 I HA 0.059 4.232 4.170 0.004 0.000 0.285 611 I C 0.379 176.558 176.117 0.103 0.000 1.161 611 I CA 0.284 61.612 61.300 0.048 0.000 1.415 611 I CB -0.024 37.928 38.000 -0.080 0.000 1.385 611 I HN 0.444 nan 8.210 nan 0.000 0.552 612 I N 6.945 127.614 120.570 0.165 0.000 2.359 612 I HA 0.221 4.393 4.170 0.004 0.000 0.284 612 I C 0.577 176.788 176.117 0.157 0.000 1.018 612 I CA -0.379 61.012 61.300 0.152 0.000 1.173 612 I CB 0.999 39.107 38.000 0.180 0.000 1.326 612 I HN 0.576 nan 8.210 nan 0.000 0.462 613 T N 2.251 116.903 114.554 0.163 0.000 2.897 613 T HA 0.911 5.264 4.350 0.004 0.000 0.278 613 T C 0.221 175.042 174.700 0.203 0.000 0.981 613 T CA -0.916 61.308 62.100 0.206 0.000 0.973 613 T CB 2.129 71.151 68.868 0.257 0.000 1.092 613 T HN 0.894 nan 8.240 nan 0.000 0.543 614 G N 0.704 109.634 108.800 0.217 0.000 2.352 614 G HA2 0.435 4.397 3.960 0.004 0.000 0.303 614 G HA3 0.435 4.397 3.960 0.004 0.000 0.303 614 G C -3.386 171.579 174.900 0.110 0.000 1.593 614 G CA -1.092 44.101 45.100 0.155 0.000 0.963 614 G HN 0.688 nan 8.290 nan 0.000 0.685 615 P HA 0.168 nan 4.420 nan 0.000 0.271 615 P C -0.034 177.232 177.300 -0.056 0.000 1.233 615 P CA -0.399 62.698 63.100 -0.006 0.000 0.789 615 P CB 0.620 32.212 31.700 -0.181 0.000 0.951 616 N N 0.857 119.539 118.700 -0.030 0.000 2.454 616 N HA 0.067 4.810 4.740 0.004 0.000 0.260 616 N C 0.643 175.968 175.510 -0.309 0.000 1.218 616 N CA 0.476 53.466 53.050 -0.099 0.000 0.904 616 N CB -0.462 38.008 38.487 -0.028 0.000 1.065 616 N HN 0.429 nan 8.380 nan 0.000 0.462 617 M N 0.097 119.490 119.600 -0.345 0.000 2.872 617 M HA -0.219 4.264 4.480 0.004 0.000 0.200 617 M C 1.033 176.841 176.300 -0.819 0.000 0.582 617 M CA 0.964 55.932 55.300 -0.552 0.000 0.706 617 M CB -1.821 30.390 32.600 -0.648 0.000 2.560 617 M HN 0.624 nan 8.290 nan 0.000 0.476 618 G N -0.402 108.100 108.800 -0.498 0.000 2.453 618 G HA2 0.386 4.348 3.960 0.004 0.000 0.215 618 G HA3 0.386 4.348 3.960 0.004 0.000 0.215 618 G C 1.158 176.038 174.900 -0.034 0.000 1.147 618 G CA 0.797 45.718 45.100 -0.300 0.000 0.802 618 G HN 1.213 nan 8.290 nan 0.000 0.535 619 G N -0.403 108.376 108.800 -0.035 0.000 2.157 619 G HA2 -0.135 3.827 3.960 0.004 0.000 0.114 619 G HA3 -0.135 3.827 3.960 0.004 0.000 0.114 619 G C 0.897 175.822 174.900 0.041 0.000 1.041 619 G CA 0.433 45.543 45.100 0.018 0.000 0.714 619 G HN 0.391 nan 8.290 nan 0.000 0.492 620 K N 0.302 120.720 120.400 0.030 0.000 2.021 620 K HA 0.091 4.413 4.320 0.004 0.000 0.205 620 K C 2.502 179.177 176.600 0.125 0.000 1.047 620 K CA 1.313 57.652 56.287 0.085 0.000 0.943 620 K CB -0.251 32.282 32.500 0.055 0.000 0.725 620 K HN 0.196 nan 8.250 nan 0.000 0.439 621 S N 0.775 116.510 115.700 0.059 0.000 2.382 621 S HA -0.109 4.363 4.470 0.004 0.000 0.228 621 S C 1.965 176.616 174.600 0.085 0.000 1.027 621 S CA 1.600 59.830 58.200 0.050 0.000 0.991 621 S CB -0.244 62.959 63.200 0.005 0.000 0.823 621 S HN 0.336 nan 8.310 nan 0.000 0.469 622 T N 0.351 114.958 114.554 0.088 0.000 2.867 622 T HA -0.072 4.280 4.350 0.004 0.000 0.268 622 T C 1.496 176.351 174.700 0.260 0.000 1.057 622 T CA 1.034 63.211 62.100 0.128 0.000 1.136 622 T CB -0.346 68.559 68.868 0.062 0.000 0.874 622 T HN 0.517 nan 8.240 nan 0.000 0.466 623 Y N 1.870 122.229 120.300 0.098 0.000 2.242 623 Y HA -0.024 4.528 4.550 0.004 0.000 0.291 623 Y C 2.112 178.063 175.900 0.084 0.000 1.137 623 Y CA 1.065 59.225 58.100 0.099 0.000 1.181 623 Y CB -0.407 38.090 38.460 0.060 0.000 0.989 623 Y HN 0.167 nan 8.280 nan 0.000 0.527 624 M N -0.761 118.862 119.600 0.039 0.000 2.193 624 M HA -0.091 4.392 4.480 0.004 0.000 0.265 624 M C 2.118 178.396 176.300 -0.037 0.000 1.071 624 M CA 1.254 56.518 55.300 -0.059 0.000 1.140 624 M CB -0.412 32.196 32.600 0.015 0.000 1.369 624 M HN 0.091 nan 8.290 nan 0.000 0.423 625 R N 1.459 121.992 120.500 0.054 0.000 2.091 625 R HA -0.190 4.153 4.340 0.004 0.000 0.238 625 R C 2.259 178.538 176.300 -0.034 0.000 1.136 625 R CA 1.978 58.124 56.100 0.077 0.000 0.959 625 R CB -0.783 29.668 30.300 0.252 0.000 0.856 625 R HN 0.652 nan 8.270 nan 0.000 0.437 626 Q N -0.037 119.763 119.800 0.000 0.000 2.224 626 Q HA -0.045 4.297 4.340 0.004 0.000 0.203 626 Q C 1.404 177.302 176.000 -0.169 0.000 0.970 626 Q CA 1.622 57.326 55.803 -0.166 0.000 0.865 626 Q CB -0.299 28.428 28.738 -0.018 0.000 0.922 626 Q HN 0.071 nan 8.270 nan 0.000 0.445 627 T N 0.981 115.434 114.554 -0.168 0.000 2.821 627 T HA -0.013 4.339 4.350 0.004 0.000 0.267 627 T C 1.907 176.538 174.700 -0.113 0.000 1.046 627 T CA 1.271 63.266 62.100 -0.175 0.000 1.139 627 T CB -0.188 68.537 68.868 -0.239 0.000 0.871 627 T HN 0.523 nan 8.240 nan 0.000 0.454 628 A N 0.574 123.334 122.820 -0.099 0.000 2.021 628 A HA 0.269 4.592 4.320 0.004 0.000 0.216 628 A C 2.140 179.676 177.584 -0.080 0.000 1.163 628 A CA 0.601 52.597 52.037 -0.067 0.000 0.676 628 A CB -0.476 18.492 19.000 -0.054 0.000 0.818 628 A HN 0.446 nan 8.150 nan 0.000 0.453 629 L N -0.809 120.332 121.223 -0.138 0.000 2.270 629 L HA 0.034 4.377 4.340 0.004 0.000 0.210 629 L C 2.190 178.969 176.870 -0.152 0.000 1.104 629 L CA 0.547 55.286 54.840 -0.168 0.000 0.804 629 L CB -0.212 41.670 42.059 -0.294 0.000 0.937 629 L HN 0.342 nan 8.230 nan 0.000 0.450 630 I N -0.375 120.106 120.570 -0.149 0.000 2.333 630 I HA -0.192 3.981 4.170 0.004 0.000 0.246 630 I C 2.730 178.808 176.117 -0.065 0.000 1.106 630 I CA 0.981 62.198 61.300 -0.138 0.000 1.411 630 I CB -0.300 37.614 38.000 -0.142 0.000 1.082 630 I HN 0.154 nan 8.210 nan 0.000 0.420 631 A N 0.675 123.488 122.820 -0.013 0.000 1.933 631 A HA -0.216 4.106 4.320 0.004 0.000 0.218 631 A C 2.340 180.026 177.584 0.171 0.000 1.175 631 A CA 1.511 53.613 52.037 0.108 0.000 0.628 631 A CB -0.818 18.242 19.000 0.101 0.000 0.814 631 A HN 0.453 nan 8.150 nan 0.000 0.444 632 L N -1.361 119.899 121.223 0.062 0.000 2.056 632 L HA -0.150 4.192 4.340 0.004 0.000 0.207 632 L C 2.658 179.572 176.870 0.072 0.000 1.078 632 L CA 1.726 56.604 54.840 0.063 0.000 0.749 632 L CB -0.190 41.862 42.059 -0.012 0.000 0.901 632 L HN 0.427 nan 8.230 nan 0.000 0.433 633 M N -0.935 118.671 119.600 0.010 0.000 2.123 633 M HA -0.139 4.343 4.480 0.004 0.000 0.263 633 M C 2.429 178.744 176.300 0.024 0.000 1.069 633 M CA 1.598 56.904 55.300 0.010 0.000 1.133 633 M CB -0.487 32.073 32.600 -0.067 0.000 1.356 633 M HN 0.404 nan 8.290 nan 0.000 0.415 634 A N -0.197 122.602 122.820 -0.036 0.000 1.954 634 A HA -0.239 4.084 4.320 0.004 0.000 0.222 634 A C 1.494 179.012 177.584 -0.110 0.000 1.199 634 A CA 1.918 53.885 52.037 -0.117 0.000 0.657 634 A CB -1.261 17.611 19.000 -0.212 0.000 0.823 634 A HN 0.596 nan 8.150 nan 0.000 0.463 635 Y N -0.584 119.788 120.300 0.120 0.000 2.537 635 Y HA 0.317 4.869 4.550 0.004 0.000 0.303 635 Y C 1.334 177.240 175.900 0.010 0.000 1.176 635 Y CA 0.266 58.408 58.100 0.069 0.000 1.273 635 Y CB -0.134 38.339 38.460 0.022 0.000 1.110 635 Y HN 0.536 nan 8.280 nan 0.000 0.518 636 I N -5.132 115.506 120.570 0.113 0.000 4.081 636 I HA 0.556 4.728 4.170 0.004 0.000 0.333 636 I C 1.480 177.638 176.117 0.068 0.000 1.413 636 I CA 0.371 61.709 61.300 0.065 0.000 1.110 636 I CB 0.559 38.670 38.000 0.186 0.000 1.082 636 I HN 0.019 nan 8.210 nan 0.000 0.402 637 G N 1.315 110.173 108.800 0.097 0.000 2.179 637 G HA2 -0.327 3.636 3.960 0.004 0.000 0.260 637 G HA3 -0.327 3.636 3.960 0.004 0.000 0.260 637 G C 0.450 175.483 174.900 0.221 0.000 0.977 637 G CA 0.373 45.562 45.100 0.149 0.000 0.641 637 G HN 0.718 nan 8.290 nan 0.000 0.533 638 S N -0.621 115.210 115.700 0.218 0.000 2.614 638 S HA 0.636 5.108 4.470 0.004 0.000 0.265 638 S C 0.644 175.442 174.600 0.329 0.000 1.303 638 S CA -0.549 57.811 58.200 0.267 0.000 1.000 638 S CB 0.473 63.803 63.200 0.216 0.000 0.935 638 S HN 0.311 nan 8.310 nan 0.000 0.551 639 Y N 1.024 121.393 120.300 0.115 0.000 2.281 639 Y HA 0.480 5.032 4.550 0.004 0.000 0.337 639 Y C 0.711 176.612 175.900 0.002 0.000 1.304 639 Y CA -0.901 57.256 58.100 0.095 0.000 1.465 639 Y CB 0.378 38.950 38.460 0.186 0.000 1.350 639 Y HN 0.380 nan 8.280 nan 0.000 0.575 640 V N 3.533 123.445 119.914 -0.002 0.000 2.823 640 V HA 0.382 4.504 4.120 0.004 0.000 0.312 640 V C -2.261 173.566 176.094 -0.446 0.000 1.072 640 V CA -2.261 59.856 62.300 -0.304 0.000 0.937 640 V CB 2.554 34.248 31.823 -0.215 0.000 1.013 640 V HN 0.588 nan 8.190 nan 0.000 0.430 641 P HA 0.423 nan 4.420 nan 0.000 0.244 641 P C -0.666 176.546 177.300 -0.146 0.000 1.769 641 P CA 0.366 63.191 63.100 -0.457 0.000 1.102 641 P CB 0.446 31.842 31.700 -0.507 0.000 1.937 642 A N 1.978 124.769 122.820 -0.047 0.000 2.483 642 A HA 0.262 4.584 4.320 0.004 0.000 0.294 642 A C 0.623 178.216 177.584 0.015 0.000 1.077 642 A CA -0.414 51.618 52.037 -0.008 0.000 0.633 642 A CB 0.290 19.267 19.000 -0.040 0.000 1.318 642 A HN 0.226 nan 8.150 nan 0.000 0.455 643 Q N -0.231 119.577 119.800 0.014 0.000 2.250 643 Q HA 0.188 4.531 4.340 0.004 0.000 0.200 643 Q C 0.179 176.168 176.000 -0.018 0.000 0.941 643 Q CA 1.096 56.907 55.803 0.012 0.000 0.872 643 Q CB 0.140 28.891 28.738 0.021 0.000 0.965 643 Q HN 0.475 nan 8.270 nan 0.000 0.480 644 K N -0.230 120.148 120.400 -0.037 0.000 2.569 644 K HA 0.368 4.690 4.320 0.004 0.000 0.259 644 K C -2.098 174.453 176.600 -0.081 0.000 0.932 644 K CA -0.434 55.814 56.287 -0.066 0.000 0.833 644 K CB 2.316 34.787 32.500 -0.048 0.000 1.340 644 K HN -0.067 nan 8.250 nan 0.000 0.429 645 V N 3.164 123.004 119.914 -0.125 0.000 2.668 645 V HA 0.361 4.484 4.120 0.004 0.000 0.304 645 V C -1.158 174.838 176.094 -0.163 0.000 1.071 645 V CA -0.795 61.425 62.300 -0.133 0.000 0.894 645 V CB 1.973 33.702 31.823 -0.156 0.000 1.008 645 V HN 0.748 nan 8.190 nan 0.000 0.425 646 E N 4.607 124.739 120.200 -0.113 0.000 2.165 646 E HA 0.671 5.023 4.350 0.004 0.000 0.266 646 E C -1.091 175.477 176.600 -0.053 0.000 0.889 646 E CA -0.505 55.834 56.400 -0.102 0.000 0.756 646 E CB 3.150 32.813 29.700 -0.062 0.000 1.131 646 E HN 0.600 nan 8.360 nan 0.000 0.411 647 I N 1.734 122.288 120.570 -0.028 0.000 2.582 647 I HA 0.499 4.672 4.170 0.004 0.000 0.292 647 I C 0.023 176.260 176.117 0.200 0.000 1.066 647 I CA -0.485 60.864 61.300 0.081 0.000 1.053 647 I CB 1.469 39.525 38.000 0.092 0.000 1.241 647 I HN 0.626 nan 8.210 nan 0.000 0.421 648 G N 6.224 115.129 108.800 0.175 0.000 2.543 648 G HA2 0.514 4.477 3.960 0.004 0.000 0.290 648 G HA3 0.514 4.477 3.960 0.004 0.000 0.290 648 G C -2.744 172.309 174.900 0.256 0.000 1.310 648 G CA -1.188 44.015 45.100 0.171 0.000 1.025 648 G HN 0.423 nan 8.290 nan 0.000 0.502 649 P HA 0.249 nan 4.420 nan 0.000 0.269 649 P C -0.695 176.655 177.300 0.085 0.000 1.209 649 P CA 0.332 63.525 63.100 0.154 0.000 0.776 649 P CB 1.158 33.028 31.700 0.284 0.000 0.876 650 I N 2.326 122.839 120.570 -0.094 0.000 2.563 650 I HA 0.086 4.258 4.170 0.004 0.000 0.285 650 I C 0.761 176.798 176.117 -0.133 0.000 1.123 650 I CA -0.502 60.744 61.300 -0.090 0.000 1.059 650 I CB 2.242 40.144 38.000 -0.164 0.000 1.229 650 I HN 0.323 nan 8.210 nan 0.000 0.442 651 D N 5.066 125.458 120.400 -0.013 0.000 2.240 651 D HA 0.051 4.693 4.640 0.004 0.000 0.206 651 D C 0.786 177.038 176.300 -0.081 0.000 0.963 651 D CA 0.693 54.660 54.000 -0.054 0.000 0.863 651 D CB 0.627 41.414 40.800 -0.021 0.000 0.973 651 D HN 0.222 nan 8.370 nan 0.000 0.501 652 R N -0.149 120.314 120.500 -0.061 0.000 2.629 652 R HA 0.489 4.831 4.340 0.004 0.000 0.266 652 R C -1.667 174.515 176.300 -0.197 0.000 1.051 652 R CA -0.615 55.375 56.100 -0.183 0.000 0.895 652 R CB 1.726 31.919 30.300 -0.179 0.000 1.246 652 R HN 0.025 nan 8.270 nan 0.000 0.459 653 I N 3.736 124.098 120.570 -0.347 0.000 2.436 653 I HA 0.396 4.568 4.170 0.004 0.000 0.289 653 I C -0.776 175.108 176.117 -0.388 0.000 1.010 653 I CA -0.692 60.480 61.300 -0.213 0.000 1.098 653 I CB 1.374 39.306 38.000 -0.114 0.000 1.266 653 I HN 0.331 nan 8.210 nan 0.000 0.434 654 F N 3.089 123.028 119.950 -0.018 0.000 2.458 654 F HA 0.592 5.121 4.527 0.004 0.000 0.330 654 F C 0.482 176.264 175.800 -0.032 0.000 1.082 654 F CA -0.600 57.387 58.000 -0.022 0.000 0.995 654 F CB 2.086 41.075 39.000 -0.019 0.000 1.170 654 F HN 0.224 nan 8.300 nan 0.000 0.478 655 T N 3.150 117.786 114.554 0.135 0.000 2.921 655 T HA 0.456 4.808 4.350 0.004 0.000 0.297 655 T C -0.922 173.801 174.700 0.039 0.000 1.013 655 T CA -0.805 61.328 62.100 0.055 0.000 0.990 655 T CB 1.595 70.474 68.868 0.018 0.000 1.023 655 T HN 0.330 nan 8.240 nan 0.000 0.447 656 R N 2.378 122.874 120.500 -0.007 0.000 2.561 656 R HA 0.698 5.040 4.340 0.004 0.000 0.297 656 R C -1.681 174.590 176.300 -0.048 0.000 0.969 656 R CA -0.595 55.489 56.100 -0.026 0.000 0.879 656 R CB 1.956 32.224 30.300 -0.052 0.000 1.178 656 R HN 0.457 nan 8.270 nan 0.000 0.445 657 V N 2.958 122.854 119.914 -0.030 0.000 2.482 657 V HA 0.401 4.523 4.120 0.004 0.000 0.295 657 V C 0.893 176.970 176.094 -0.029 0.000 1.026 657 V CA -0.858 61.420 62.300 -0.037 0.000 0.856 657 V CB 1.784 33.594 31.823 -0.023 0.000 1.001 657 V HN 0.922 nan 8.190 nan 0.000 0.424 671 M N 2.114 121.442 119.600 -0.455 0.000 2.374 671 M HA 0.142 4.624 4.480 0.004 0.000 0.264 671 M C 1.385 177.409 176.300 -0.460 0.000 1.067 671 M CA 1.367 56.414 55.300 -0.422 0.000 1.103 671 M CB -0.239 32.112 32.600 -0.415 0.000 1.402 671 M HN 0.357 nan 8.290 nan 0.000 0.444 672 V N -0.155 119.349 119.914 -0.683 0.000 2.379 672 V HA -0.182 3.941 4.120 0.004 0.000 0.243 672 V C 2.277 178.286 176.094 -0.142 0.000 1.035 672 V CA 1.967 64.055 62.300 -0.353 0.000 1.035 672 V CB -0.465 31.179 31.823 -0.299 0.000 0.673 672 V HN 0.607 nan 8.190 nan 0.000 0.457 673 E N -0.397 119.761 120.200 -0.070 0.000 2.085 673 E HA -0.276 4.077 4.350 0.004 0.000 0.194 673 E C 2.292 178.886 176.600 -0.010 0.000 0.994 673 E CA 1.588 57.986 56.400 -0.004 0.000 0.801 673 E CB -0.087 29.641 29.700 0.047 0.000 0.743 673 E HN 0.331 nan 8.360 nan 0.000 0.453 674 M N 0.579 120.166 119.600 -0.021 0.000 2.108 674 M HA -0.130 4.353 4.480 0.004 0.000 0.261 674 M C 2.322 178.616 176.300 -0.010 0.000 1.066 674 M CA 1.656 56.953 55.300 -0.005 0.000 1.107 674 M CB -1.314 31.280 32.600 -0.010 0.000 1.356 674 M HN 0.144 nan 8.290 nan 0.000 0.406 675 T N -0.052 114.480 114.554 -0.036 0.000 2.668 675 T HA -0.122 4.230 4.350 0.004 0.000 0.262 675 T C 1.776 176.478 174.700 0.004 0.000 1.045 675 T CA 1.244 63.333 62.100 -0.019 0.000 1.152 675 T CB -0.219 68.619 68.868 -0.050 0.000 0.864 675 T HN 0.411 nan 8.240 nan 0.000 0.419 676 E N 0.456 120.653 120.200 -0.006 0.000 2.136 676 E HA -0.206 4.146 4.350 0.004 0.000 0.208 676 E C 2.341 178.954 176.600 0.022 0.000 1.035 676 E CA 1.795 58.205 56.400 0.016 0.000 0.838 676 E CB -0.258 29.447 29.700 0.009 0.000 0.748 676 E HN 0.428 nan 8.360 nan 0.000 0.459 677 T N 0.343 114.901 114.554 0.005 0.000 2.777 677 T HA -0.094 4.259 4.350 0.004 0.000 0.266 677 T C 1.907 176.590 174.700 -0.028 0.000 1.040 677 T CA 1.114 63.207 62.100 -0.012 0.000 1.141 677 T CB -0.175 68.694 68.868 0.002 0.000 0.868 677 T HN 0.275 nan 8.240 nan 0.000 0.444 678 A N 2.262 125.085 122.820 0.005 0.000 1.972 678 A HA -0.169 4.154 4.320 0.004 0.000 0.219 678 A C 2.155 179.808 177.584 0.115 0.000 1.169 678 A CA 1.996 54.052 52.037 0.031 0.000 0.635 678 A CB -0.792 18.279 19.000 0.119 0.000 0.810 678 A HN 0.533 nan 8.150 nan 0.000 0.446 679 N N 0.436 119.198 118.700 0.104 0.000 2.142 679 N HA -0.100 4.643 4.740 0.004 0.000 0.186 679 N C 1.408 176.927 175.510 0.014 0.000 1.023 679 N CA 1.896 55.022 53.050 0.126 0.000 0.852 679 N CB -0.461 38.100 38.487 0.122 0.000 0.998 679 N HN 0.513 nan 8.380 nan 0.000 0.424 680 I N 0.093 120.592 120.570 -0.119 0.000 2.315 680 I HA -0.200 3.973 4.170 0.004 0.000 0.248 680 I C 1.852 177.709 176.117 -0.433 0.000 1.117 680 I CA 0.758 61.766 61.300 -0.486 0.000 1.404 680 I CB -0.181 37.612 38.000 -0.345 0.000 1.071 680 I HN 0.192 nan 8.210 nan 0.000 0.419 681 L N -0.561 120.504 121.223 -0.264 0.000 2.313 681 L HA -0.151 4.191 4.340 0.004 0.000 0.214 681 L C 2.173 178.864 176.870 -0.298 0.000 1.119 681 L CA 1.166 55.834 54.840 -0.287 0.000 0.809 681 L CB -0.559 41.316 42.059 -0.307 0.000 0.933 681 L HN 0.316 nan 8.230 nan 0.000 0.449 682 H N -1.349 117.664 119.070 -0.095 0.000 2.486 682 H HA 0.086 4.644 4.556 0.004 0.000 0.287 682 H C 1.458 176.765 175.328 -0.036 0.000 1.010 682 H CA 0.580 56.599 56.048 -0.048 0.000 1.324 682 H CB 0.476 30.225 29.762 -0.021 0.000 1.446 682 H HN 0.196 nan 8.280 nan 0.000 0.537 683 N N 0.209 118.942 118.700 0.056 0.000 2.197 683 N HA 0.175 4.918 4.740 0.004 0.000 0.201 683 N C 0.100 175.661 175.510 0.084 0.000 1.148 683 N CA 0.220 53.340 53.050 0.118 0.000 0.883 683 N CB 0.773 39.422 38.487 0.269 0.000 1.012 683 N HN 0.136 nan 8.380 nan 0.000 0.507 684 A N 1.012 123.704 122.820 -0.213 0.000 2.425 684 A HA 0.470 4.793 4.320 0.004 0.000 0.249 684 A C 0.895 178.474 177.584 -0.007 0.000 1.084 684 A CA 0.085 52.003 52.037 -0.197 0.000 0.781 684 A CB 0.134 18.878 19.000 -0.426 0.000 1.019 684 A HN 0.259 nan 8.150 nan 0.000 0.490 685 T N -1.138 113.469 114.554 0.088 0.000 2.742 685 T HA 0.446 4.798 4.350 0.004 0.000 0.282 685 T C 0.645 175.429 174.700 0.140 0.000 1.025 685 T CA -0.162 62.004 62.100 0.111 0.000 1.020 685 T CB 0.876 69.824 68.868 0.134 0.000 1.317 685 T HN 0.569 nan 8.240 nan 0.000 0.538 686 E N -0.531 119.780 120.200 0.185 0.000 2.209 686 E HA -0.107 4.246 4.350 0.004 0.000 0.196 686 E C 0.787 177.425 176.600 0.065 0.000 0.993 686 E CA 1.365 57.836 56.400 0.119 0.000 0.819 686 E CB -0.248 29.515 29.700 0.105 0.000 0.745 686 E HN 0.627 nan 8.360 nan 0.000 0.477 687 Y N 0.073 120.387 120.300 0.024 0.000 2.466 687 Y HA 0.151 4.704 4.550 0.004 0.000 0.272 687 Y C 0.720 176.636 175.900 0.026 0.000 1.169 687 Y CA -0.146 57.963 58.100 0.016 0.000 1.285 687 Y CB 0.457 38.916 38.460 -0.002 0.000 1.078 687 Y HN -0.214 nan 8.280 nan 0.000 0.523 688 S N 1.210 117.029 115.700 0.199 0.000 2.584 688 S HA 0.327 4.800 4.470 0.004 0.000 0.273 688 S C -0.647 174.041 174.600 0.147 0.000 1.311 688 S CA -0.599 57.721 58.200 0.201 0.000 1.034 688 S CB 1.346 64.760 63.200 0.356 0.000 0.939 688 S HN 0.161 nan 8.310 nan 0.000 0.513 689 L N 4.127 125.429 121.223 0.132 0.000 2.257 689 L HA 0.562 4.905 4.340 0.004 0.000 0.290 689 L C -1.031 175.932 176.870 0.155 0.000 1.044 689 L CA -0.188 54.712 54.840 0.099 0.000 0.810 689 L CB 0.730 42.818 42.059 0.048 0.000 1.193 689 L HN 0.431 nan 8.230 nan 0.000 0.425 690 V N 6.822 126.813 119.914 0.128 0.000 2.417 690 V HA 0.420 4.543 4.120 0.004 0.000 0.291 690 V C -0.152 175.977 176.094 0.058 0.000 1.024 690 V CA -0.528 61.849 62.300 0.128 0.000 0.861 690 V CB 1.624 33.483 31.823 0.060 0.000 0.985 690 V HN 0.600 nan 8.190 nan 0.000 0.436 691 L N 5.567 126.814 121.223 0.040 0.000 2.337 691 L HA 0.552 4.895 4.340 0.004 0.000 0.269 691 L C -0.428 176.388 176.870 -0.090 0.000 1.018 691 L CA -0.494 54.335 54.840 -0.018 0.000 0.876 691 L CB 1.042 43.097 42.059 -0.007 0.000 1.236 691 L HN 0.422 nan 8.230 nan 0.000 0.436 692 M N 2.631 122.093 119.600 -0.231 0.000 2.120 692 M HA 0.226 4.709 4.480 0.004 0.000 0.354 692 M C -0.256 175.819 176.300 -0.374 0.000 1.287 692 M CA 0.056 55.098 55.300 -0.431 0.000 1.103 692 M CB 0.884 32.883 32.600 -1.002 0.000 1.623 692 M HN 0.346 nan 8.290 nan 0.000 0.471 693 D N 4.444 124.705 120.400 -0.232 0.000 2.458 693 D HA 0.211 4.854 4.640 0.004 0.000 0.258 693 D C -0.404 175.809 176.300 -0.145 0.000 1.134 693 D CA 0.179 54.092 54.000 -0.145 0.000 0.915 693 D CB 0.339 41.091 40.800 -0.079 0.000 1.028 693 D HN 0.737 nan 8.370 nan 0.000 0.508 694 E N 1.370 121.481 120.200 -0.148 0.000 2.358 694 E HA -0.211 4.142 4.350 0.004 0.000 0.246 694 E C 0.573 177.093 176.600 -0.134 0.000 1.127 694 E CA 0.226 56.525 56.400 -0.169 0.000 0.726 694 E CB -1.524 28.004 29.700 -0.287 0.000 1.272 694 E HN 0.652 nan 8.360 nan 0.000 0.390 695 I N -2.494 118.038 120.570 -0.063 0.000 3.156 695 I HA 0.632 4.804 4.170 0.004 0.000 0.306 695 I C 0.948 177.217 176.117 0.253 0.000 1.048 695 I CA 0.410 61.731 61.300 0.036 0.000 1.207 695 I CB 1.141 39.127 38.000 -0.023 0.000 1.456 695 I HN 0.144 nan 8.210 nan 0.000 0.616 696 G N 2.199 111.161 108.800 0.271 0.000 2.662 696 G HA2 -0.092 3.871 3.960 0.004 0.000 0.558 696 G HA3 -0.092 3.871 3.960 0.004 0.000 0.558 696 G C -0.673 174.455 174.900 0.381 0.000 1.081 696 G CA -0.815 44.520 45.100 0.392 0.000 1.261 696 G HN 0.857 nan 8.290 nan 0.000 0.559 697 R N 0.515 121.161 120.500 0.244 0.000 2.437 697 R HA 0.728 5.071 4.340 0.004 0.000 0.310 697 R C 0.638 177.037 176.300 0.165 0.000 0.955 697 R CA 0.187 56.413 56.100 0.210 0.000 0.851 697 R CB 1.786 32.185 30.300 0.164 0.000 1.161 697 R HN 0.778 nan 8.270 nan 0.000 0.446 698 G N -0.784 108.106 108.800 0.149 0.000 3.015 698 G HA2 0.237 4.199 3.960 0.004 0.000 0.281 698 G HA3 0.237 4.199 3.960 0.004 0.000 0.281 698 G C 0.393 175.344 174.900 0.084 0.000 1.386 698 G CA -0.348 44.815 45.100 0.105 0.000 0.959 698 G HN 0.512 nan 8.290 nan 0.000 0.522 699 T N -3.229 111.363 114.554 0.063 0.000 3.069 699 T HA 0.402 4.755 4.350 0.004 0.000 0.252 699 T C 0.908 175.627 174.700 0.031 0.000 1.053 699 T CA 0.804 62.933 62.100 0.048 0.000 0.964 699 T CB 0.165 69.059 68.868 0.044 0.000 1.005 699 T HN 0.423 nan 8.240 nan 0.000 0.532 700 S N -0.613 115.102 115.700 0.026 0.000 2.900 700 S HA 0.502 4.975 4.470 0.004 0.000 0.320 700 S C 1.129 175.707 174.600 -0.037 0.000 1.130 700 S CA -0.228 57.972 58.200 -0.001 0.000 0.863 700 S CB 1.246 64.452 63.200 0.010 0.000 1.295 700 S HN 0.265 nan 8.310 nan 0.000 0.596 701 T N 0.990 115.473 114.554 -0.119 0.000 2.674 701 T HA -0.055 4.297 4.350 0.004 0.000 0.265 701 T C 0.765 175.250 174.700 -0.359 0.000 1.039 701 T CA 1.783 63.690 62.100 -0.322 0.000 1.150 701 T CB -0.401 68.100 68.868 -0.612 0.000 0.864 701 T HN 0.586 nan 8.240 nan 0.000 0.427 702 Y N 0.457 120.730 120.300 -0.045 0.000 2.467 702 Y HA 0.280 4.833 4.550 0.005 0.000 0.250 702 Y C 1.737 177.585 175.900 -0.086 0.000 1.155 702 Y CA -1.243 56.797 58.100 -0.100 0.000 1.249 702 Y CB -0.276 38.124 38.460 -0.100 0.000 1.146 702 Y HN 0.075 nan 8.280 nan 0.000 0.524 703 D N 0.426 120.871 120.400 0.076 0.000 2.321 703 D HA -0.239 4.403 4.640 0.004 0.000 0.194 703 D C 2.425 178.759 176.300 0.056 0.000 1.013 703 D CA 2.289 56.323 54.000 0.057 0.000 0.863 703 D CB -0.490 40.343 40.800 0.055 0.000 1.011 703 D HN 0.389 nan 8.370 nan 0.000 0.457 704 G N -0.339 108.501 108.800 0.068 0.000 2.430 704 G HA2 -0.128 3.835 3.960 0.004 0.000 0.216 704 G HA3 -0.128 3.835 3.960 0.004 0.000 0.216 704 G C 1.616 176.561 174.900 0.075 0.000 1.146 704 G CA 0.746 45.922 45.100 0.126 0.000 0.793 704 G HN 0.342 nan 8.290 nan 0.000 0.537 705 L N 1.085 122.188 121.223 -0.199 0.000 2.046 705 L HA 0.012 4.354 4.340 0.004 0.000 0.208 705 L C 2.684 179.533 176.870 -0.036 0.000 1.077 705 L CA 2.519 57.067 54.840 -0.486 0.000 0.747 705 L CB -0.786 40.815 42.059 -0.763 0.000 0.896 705 L HN 0.112 nan 8.230 nan 0.000 0.432 706 S N -0.185 115.513 115.700 -0.003 0.000 2.374 706 S HA -0.199 4.273 4.470 0.004 0.000 0.227 706 S C 1.941 176.617 174.600 0.125 0.000 1.037 706 S CA 2.002 60.222 58.200 0.034 0.000 1.024 706 S CB -0.576 62.619 63.200 -0.009 0.000 0.861 706 S HN 0.504 nan 8.310 nan 0.000 0.456 707 L N 0.706 122.002 121.223 0.122 0.000 2.093 707 L HA -0.093 4.250 4.340 0.004 0.000 0.208 707 L C 2.651 179.644 176.870 0.205 0.000 1.085 707 L CA 1.153 56.079 54.840 0.144 0.000 0.755 707 L CB -0.516 41.619 42.059 0.127 0.000 0.904 707 L HN 0.325 nan 8.230 nan 0.000 0.435 708 A N -0.775 122.203 122.820 0.264 0.000 1.930 708 A HA -0.258 4.065 4.320 0.004 0.000 0.217 708 A C 2.129 179.870 177.584 0.263 0.000 1.175 708 A CA 1.220 53.483 52.037 0.376 0.000 0.627 708 A CB -0.908 18.403 19.000 0.519 0.000 0.815 708 A HN 0.663 nan 8.150 nan 0.000 0.443 709 W N 0.817 122.136 121.300 0.032 0.000 2.353 709 W HA -0.175 4.487 4.660 0.004 0.000 0.319 709 W C 2.373 178.868 176.519 -0.040 0.000 1.207 709 W CA 2.224 59.538 57.345 -0.051 0.000 1.291 709 W CB -0.659 28.762 29.460 -0.064 0.000 1.159 709 W HN 0.402 nan 8.180 nan 0.000 0.478 710 A N -0.074 122.959 122.820 0.354 0.000 1.933 710 A HA -0.226 4.097 4.320 0.004 0.000 0.218 710 A C 2.178 179.826 177.584 0.105 0.000 1.175 710 A CA 1.893 54.063 52.037 0.223 0.000 0.628 710 A CB -1.459 17.636 19.000 0.157 0.000 0.814 710 A HN 0.371 nan 8.150 nan 0.000 0.444 711 C N -1.322 118.048 119.300 0.117 0.000 2.440 711 C HA 0.120 4.583 4.460 0.004 0.000 0.278 711 C C 3.303 178.345 174.990 0.087 0.000 1.295 711 C CA 0.764 59.846 59.018 0.107 0.000 1.738 711 C CB -1.149 26.699 27.740 0.181 0.000 1.987 711 C HN 0.705 nan 8.230 nan 0.000 0.492 712 A N 0.006 122.827 122.820 0.001 0.000 1.897 712 A HA -0.178 4.144 4.320 0.004 0.000 0.215 712 A C 2.071 179.540 177.584 -0.191 0.000 1.181 712 A CA 1.691 53.615 52.037 -0.188 0.000 0.620 712 A CB -0.669 17.908 19.000 -0.704 0.000 0.821 712 A HN 0.685 nan 8.150 nan 0.000 0.443 713 E N 0.116 120.194 120.200 -0.205 0.000 2.033 713 E HA -0.271 4.081 4.350 0.004 0.000 0.199 713 E C 2.080 178.644 176.600 -0.060 0.000 1.011 713 E CA 1.480 57.801 56.400 -0.132 0.000 0.815 713 E CB -0.265 29.419 29.700 -0.027 0.000 0.755 713 E HN 0.663 nan 8.360 nan 0.000 0.451 714 N N 0.276 118.960 118.700 -0.027 0.000 2.166 714 N HA -0.172 4.570 4.740 0.004 0.000 0.186 714 N C 2.080 177.570 175.510 -0.034 0.000 1.019 714 N CA 0.915 53.950 53.050 -0.024 0.000 0.856 714 N CB -0.073 38.400 38.487 -0.024 0.000 0.993 714 N HN 0.230 nan 8.380 nan 0.000 0.426 715 L N 0.436 121.642 121.223 -0.028 0.000 2.109 715 L HA -0.036 4.306 4.340 0.004 0.000 0.207 715 L C 2.523 179.377 176.870 -0.026 0.000 1.086 715 L CA 0.991 55.818 54.840 -0.022 0.000 0.760 715 L CB -0.240 41.833 42.059 0.022 0.000 0.910 715 L HN 0.153 nan 8.230 nan 0.000 0.437 716 A N 0.228 123.021 122.820 -0.045 0.000 1.898 716 A HA -0.194 4.128 4.320 0.004 0.000 0.214 716 A C 1.977 179.536 177.584 -0.041 0.000 1.183 716 A CA 1.874 53.880 52.037 -0.052 0.000 0.622 716 A CB -0.544 18.402 19.000 -0.091 0.000 0.824 716 A HN 0.534 nan 8.150 nan 0.000 0.444 717 N N -1.340 117.337 118.700 -0.039 0.000 2.439 717 N HA -0.008 4.735 4.740 0.004 0.000 0.176 717 N C 1.576 177.075 175.510 -0.017 0.000 1.029 717 N CA 1.030 54.064 53.050 -0.027 0.000 0.886 717 N CB -0.005 38.468 38.487 -0.024 0.000 1.057 717 N HN 0.349 nan 8.380 nan 0.000 0.437 718 K N -0.093 120.296 120.400 -0.018 0.000 2.190 718 K HA 0.210 4.533 4.320 0.004 0.000 0.202 718 K C 1.782 178.375 176.600 -0.011 0.000 1.045 718 K CA 0.531 56.810 56.287 -0.013 0.000 0.976 718 K CB 0.213 32.703 32.500 -0.017 0.000 0.849 718 K HN 0.174 nan 8.250 nan 0.000 0.468 719 I N 1.484 122.042 120.570 -0.020 0.000 2.333 719 I HA -0.149 4.024 4.170 0.004 0.000 0.246 719 I C 0.203 176.319 176.117 -0.000 0.000 1.106 719 I CA 0.710 62.000 61.300 -0.016 0.000 1.411 719 I CB -0.016 37.959 38.000 -0.041 0.000 1.082 719 I HN 0.150 nan 8.210 nan 0.000 0.420 720 K N 0.681 121.076 120.400 -0.008 0.000 3.096 720 K HA -0.174 4.148 4.320 0.004 0.000 0.266 720 K C 0.070 176.669 176.600 -0.002 0.000 1.043 720 K CA 0.228 56.510 56.287 -0.007 0.000 0.758 720 K CB -1.879 30.617 32.500 -0.006 0.000 1.260 720 K HN 0.412 nan 8.250 nan 0.000 0.481 721 A N 0.693 123.515 122.820 0.004 0.000 2.296 721 A HA 0.515 4.837 4.320 0.004 0.000 0.264 721 A C 0.623 178.215 177.584 0.014 0.000 1.097 721 A CA -0.494 51.554 52.037 0.019 0.000 0.811 721 A CB 0.409 19.422 19.000 0.020 0.000 1.072 721 A HN 0.312 nan 8.150 nan 0.000 0.495 722 L N 0.810 122.046 121.223 0.022 0.000 2.349 722 L HA 0.429 4.772 4.340 0.004 0.000 0.275 722 L C -0.240 176.656 176.870 0.042 0.000 1.115 722 L CA 0.084 54.937 54.840 0.021 0.000 0.820 722 L CB 0.914 42.982 42.059 0.015 0.000 1.135 722 L HN 0.738 nan 8.230 nan 0.000 0.445 723 T N 3.903 118.487 114.554 0.050 0.000 3.071 723 T HA 0.469 4.821 4.350 0.004 0.000 0.311 723 T C -0.483 174.277 174.700 0.100 0.000 1.042 723 T CA -0.549 61.599 62.100 0.081 0.000 1.028 723 T CB 1.624 70.559 68.868 0.112 0.000 1.068 723 T HN 0.294 nan 8.240 nan 0.000 0.451 724 L N 3.222 124.501 121.223 0.093 0.000 2.295 724 L HA 0.537 4.879 4.340 0.004 0.000 0.281 724 L C -0.993 175.961 176.870 0.141 0.000 1.018 724 L CA -0.736 54.173 54.840 0.116 0.000 0.841 724 L CB 0.907 43.001 42.059 0.058 0.000 1.218 724 L HN 0.614 nan 8.230 nan 0.000 0.424 725 F N 3.432 123.409 119.950 0.045 0.000 2.334 725 F HA 0.513 5.042 4.527 0.004 0.000 0.343 725 F C 0.849 176.683 175.800 0.058 0.000 1.136 725 F CA -0.807 57.217 58.000 0.041 0.000 1.237 725 F CB 0.646 39.656 39.000 0.016 0.000 1.525 725 F HN 0.499 nan 8.300 nan 0.000 0.528 726 A N 2.564 125.485 122.820 0.169 0.000 2.498 726 A HA 0.548 4.871 4.320 0.004 0.000 0.239 726 A C 0.170 177.876 177.584 0.202 0.000 1.068 726 A CA 0.450 52.583 52.037 0.161 0.000 0.766 726 A CB 0.123 19.168 19.000 0.075 0.000 1.003 726 A HN 0.583 nan 8.150 nan 0.000 0.497 727 T N 0.686 115.367 114.554 0.212 0.000 3.012 727 T HA 0.436 4.788 4.350 0.004 0.000 0.330 727 T C 0.505 175.352 174.700 0.246 0.000 1.321 727 T CA -0.161 62.093 62.100 0.257 0.000 1.067 727 T CB 1.137 70.231 68.868 0.377 0.000 1.235 727 T HN 0.873 nan 8.240 nan 0.000 0.479 728 H N 0.638 119.670 119.070 -0.064 0.000 2.431 728 H HA 0.124 4.682 4.556 0.004 0.000 0.295 728 H C 0.058 175.423 175.328 0.062 0.000 1.038 728 H CA 0.326 56.341 56.048 -0.055 0.000 1.360 728 H CB -0.922 28.740 29.762 -0.167 0.000 1.433 728 H HN 0.521 nan 8.280 nan 0.000 0.536 729 Y N 1.132 121.496 120.300 0.107 0.000 2.745 729 Y HA -0.018 4.534 4.550 0.004 0.000 0.335 729 Y C 1.121 177.156 175.900 0.225 0.000 1.212 729 Y CA -0.343 57.805 58.100 0.080 0.000 1.535 729 Y CB -0.400 38.122 38.460 0.103 0.000 1.220 729 Y HN 0.058 nan 8.280 nan 0.000 0.531 730 F N 1.877 121.957 119.950 0.217 0.000 2.502 730 F HA -0.068 4.461 4.527 0.004 0.000 0.298 730 F C 1.598 177.499 175.800 0.168 0.000 1.111 730 F CA 0.881 58.976 58.000 0.158 0.000 1.445 730 F CB 0.002 39.067 39.000 0.109 0.000 1.081 730 F HN 0.521 nan 8.300 nan 0.000 0.558 731 E N -0.036 120.340 120.200 0.293 0.000 2.204 731 E HA -0.167 4.186 4.350 0.004 0.000 0.195 731 E C 2.142 178.898 176.600 0.260 0.000 0.990 731 E CA 0.913 57.464 56.400 0.251 0.000 0.821 731 E CB -0.275 29.575 29.700 0.249 0.000 0.750 731 E HN 0.375 nan 8.360 nan 0.000 0.477 732 L N 0.747 122.064 121.223 0.157 0.000 2.478 732 L HA -0.027 4.315 4.340 0.004 0.000 0.223 732 L C 2.013 178.761 176.870 -0.202 0.000 1.140 732 L CA 1.330 56.132 54.840 -0.063 0.000 0.842 732 L CB -0.805 41.236 42.059 -0.030 0.000 0.953 732 L HN 0.340 nan 8.230 nan 0.000 0.452 733 T N -4.289 110.132 114.554 -0.223 0.000 3.072 733 T HA -0.174 4.178 4.350 0.004 0.000 0.266 733 T C 1.622 176.184 174.700 -0.230 0.000 1.127 733 T CA 0.535 62.451 62.100 -0.306 0.000 1.107 733 T CB -0.041 68.475 68.868 -0.586 0.000 0.910 733 T HN 0.274 nan 8.240 nan 0.000 0.513 734 Q N -0.091 119.624 119.800 -0.141 0.000 2.472 734 Q HA 0.218 4.560 4.340 0.004 0.000 0.208 734 Q C 1.957 177.899 176.000 -0.096 0.000 0.958 734 Q CA 0.133 55.912 55.803 -0.040 0.000 0.932 734 Q CB -0.181 28.633 28.738 0.126 0.000 1.007 734 Q HN 0.577 nan 8.270 nan 0.000 0.508 735 L N 0.541 121.587 121.223 -0.297 0.000 2.017 735 L HA -0.157 4.186 4.340 0.004 0.000 0.208 735 L C -0.825 175.896 176.870 -0.249 0.000 1.073 735 L CA 1.290 55.861 54.840 -0.448 0.000 0.745 735 L CB -1.029 40.638 42.059 -0.654 0.000 0.894 735 L HN 0.143 nan 8.230 nan 0.000 0.432 736 P HA -0.250 nan 4.420 nan 0.000 0.216 736 P C 1.257 178.510 177.300 -0.078 0.000 1.157 736 P CA 1.472 64.502 63.100 -0.118 0.000 0.880 736 P CB 0.027 31.670 31.700 -0.094 0.000 0.791 737 E N -0.583 119.580 120.200 -0.062 0.000 2.108 737 E HA -0.273 4.080 4.350 0.004 0.000 0.203 737 E C 1.668 178.259 176.600 -0.015 0.000 1.022 737 E CA 1.543 57.926 56.400 -0.027 0.000 0.823 737 E CB 0.007 29.703 29.700 -0.007 0.000 0.744 737 E HN 0.160 nan 8.360 nan 0.000 0.456 738 K N -0.890 119.502 120.400 -0.014 0.000 2.240 738 K HA 0.081 4.404 4.320 0.004 0.000 0.202 738 K C 0.705 177.297 176.600 -0.013 0.000 1.053 738 K CA 0.052 56.348 56.287 0.015 0.000 0.973 738 K CB 0.023 32.578 32.500 0.092 0.000 0.924 738 K HN 0.096 nan 8.250 nan 0.000 0.477 739 M N 2.161 121.724 119.600 -0.062 0.000 2.217 739 M HA 0.072 4.555 4.480 0.004 0.000 0.354 739 M C 0.229 176.491 176.300 -0.063 0.000 1.225 739 M CA -0.305 54.948 55.300 -0.079 0.000 1.137 739 M CB 0.711 33.219 32.600 -0.153 0.000 1.576 739 M HN -0.009 nan 8.290 nan 0.000 0.461 740 E N 1.399 121.571 120.200 -0.047 0.000 2.366 740 E HA 0.350 4.702 4.350 0.004 0.000 0.266 740 E C 0.731 177.303 176.600 -0.046 0.000 1.051 740 E CA 0.923 57.300 56.400 -0.039 0.000 0.884 740 E CB 0.507 30.192 29.700 -0.026 0.000 1.006 740 E HN 0.912 nan 8.360 nan 0.000 0.417 741 G N 2.502 111.279 108.800 -0.039 0.000 2.184 741 G HA2 -0.239 3.724 3.960 0.004 0.000 0.264 741 G HA3 -0.239 3.724 3.960 0.004 0.000 0.264 741 G C -0.025 174.847 174.900 -0.047 0.000 0.975 741 G CA 0.390 45.468 45.100 -0.037 0.000 0.642 741 G HN 0.414 nan 8.290 nan 0.000 0.536 742 V N 0.309 120.184 119.914 -0.065 0.000 2.581 742 V HA 0.908 5.030 4.120 0.004 0.000 0.303 742 V C 0.410 176.462 176.094 -0.070 0.000 1.041 742 V CA -0.039 62.210 62.300 -0.085 0.000 0.907 742 V CB 1.680 33.415 31.823 -0.147 0.000 0.994 742 V HN 1.407 nan 8.190 nan 0.000 0.442 743 A N 3.610 126.396 122.820 -0.055 0.000 2.572 743 A HA 0.723 5.045 4.320 0.004 0.000 0.295 743 A C -0.960 176.609 177.584 -0.025 0.000 1.072 743 A CA -0.763 51.254 52.037 -0.034 0.000 0.691 743 A CB 1.584 20.579 19.000 -0.008 0.000 1.291 743 A HN 0.650 nan 8.150 nan 0.000 0.404 744 N N 0.618 119.306 118.700 -0.020 0.000 2.426 744 N HA 0.548 5.291 4.740 0.004 0.000 0.275 744 N C -0.322 175.217 175.510 0.048 0.000 1.019 744 N CA 0.053 53.102 53.050 -0.003 0.000 0.941 744 N CB 1.739 40.206 38.487 -0.034 0.000 1.123 744 N HN 0.784 nan 8.380 nan 0.000 0.486 745 V N 0.028 119.987 119.914 0.074 0.000 3.113 745 V HA 0.715 4.838 4.120 0.004 0.000 0.316 745 V C -0.470 175.710 176.094 0.143 0.000 1.125 745 V CA -0.735 61.618 62.300 0.088 0.000 1.026 745 V CB 2.384 34.228 31.823 0.034 0.000 1.080 745 V HN 0.832 nan 8.190 nan 0.000 0.444 746 H N 0.892 119.949 119.070 -0.021 0.000 3.079 746 H HA 0.604 5.163 4.556 0.004 0.000 0.356 746 H C -2.371 172.925 175.328 -0.052 0.000 1.221 746 H CA -1.075 54.973 56.048 -0.000 0.000 1.185 746 H CB 1.792 31.589 29.762 0.059 0.000 1.882 746 H HN 0.660 nan 8.280 nan 0.000 0.543 747 L N 2.621 123.766 121.223 -0.129 0.000 2.275 747 L HA 0.180 4.522 4.340 0.004 0.000 0.288 747 L C 0.359 177.183 176.870 -0.077 0.000 1.046 747 L CA -0.232 54.489 54.840 -0.200 0.000 0.805 747 L CB 0.966 42.953 42.059 -0.119 0.000 1.193 747 L HN 0.642 nan 8.230 nan 0.000 0.426 748 D N 2.238 122.547 120.400 -0.151 0.000 2.372 748 D HA 0.582 5.224 4.640 0.004 0.000 0.243 748 D C -0.610 175.685 176.300 -0.007 0.000 1.121 748 D CA 0.249 54.252 54.000 0.005 0.000 0.898 748 D CB 1.069 41.848 40.800 -0.035 0.000 1.202 748 D HN 0.616 nan 8.370 nan 0.000 0.428 749 A N 2.750 125.581 122.820 0.018 0.000 2.515 749 A HA 0.620 4.943 4.320 0.004 0.000 0.298 749 A C -1.429 176.152 177.584 -0.005 0.000 1.059 749 A CA -0.688 51.281 52.037 -0.114 0.000 0.698 749 A CB 1.172 19.848 19.000 -0.541 0.000 1.289 749 A HN 0.539 nan 8.150 nan 0.000 0.404 750 L N 2.166 123.358 121.223 -0.052 0.000 2.384 750 L HA 0.333 4.675 4.340 0.004 0.000 0.261 750 L C 1.062 177.958 176.870 0.044 0.000 1.024 750 L CA -0.142 54.699 54.840 0.002 0.000 0.899 750 L CB 1.414 43.473 42.059 -0.000 0.000 1.243 750 L HN 1.105 nan 8.230 nan 0.000 0.449 751 E N 1.227 121.508 120.200 0.135 0.000 2.110 751 E HA -0.144 4.208 4.350 0.004 0.000 0.193 751 E C 0.336 177.012 176.600 0.127 0.000 0.988 751 E CA 0.437 56.915 56.400 0.129 0.000 0.804 751 E CB 0.098 29.883 29.700 0.142 0.000 0.745 751 E HN 0.503 nan 8.360 nan 0.000 0.458 752 H N 0.026 119.106 119.070 0.017 0.000 2.991 752 H HA -0.218 4.340 4.556 0.004 0.000 0.236 752 H C 0.760 176.078 175.328 -0.017 0.000 0.736 752 H CA 0.400 56.447 56.048 -0.002 0.000 1.490 752 H CB -0.374 29.386 29.762 -0.003 0.000 1.298 752 H HN 0.516 nan 8.280 nan 0.000 0.472 753 G N 3.667 112.485 108.800 0.029 0.000 2.542 753 G HA2 -0.327 3.636 3.960 0.004 0.000 0.235 753 G HA3 -0.327 3.636 3.960 0.004 0.000 0.235 753 G C 0.407 175.314 174.900 0.011 0.000 1.286 753 G CA 0.348 45.443 45.100 -0.007 0.000 0.904 753 G HN 0.628 nan 8.290 nan 0.000 0.577 754 D N -0.904 119.494 120.400 -0.003 0.000 2.355 754 D HA 0.233 4.875 4.640 0.004 0.000 0.206 754 D C 1.744 178.041 176.300 -0.005 0.000 1.010 754 D CA 1.704 55.704 54.000 -0.001 0.000 0.875 754 D CB 0.254 41.050 40.800 -0.007 0.000 0.966 754 D HN 0.551 nan 8.370 nan 0.000 0.512 755 T N -1.326 113.216 114.554 -0.021 0.000 2.994 755 T HA 0.329 4.681 4.350 0.004 0.000 0.322 755 T C 1.444 176.096 174.700 -0.080 0.000 1.199 755 T CA 0.157 62.227 62.100 -0.051 0.000 0.945 755 T CB 0.257 69.084 68.868 -0.068 0.000 1.754 755 T HN -0.078 nan 8.240 nan 0.000 0.571 756 I N 0.677 121.137 120.570 -0.183 0.000 4.728 756 I HA 0.734 4.906 4.170 0.004 0.000 0.233 756 I C 0.884 176.739 176.117 -0.437 0.000 1.004 756 I CA 0.099 61.191 61.300 -0.347 0.000 1.677 756 I CB -1.333 36.304 38.000 -0.605 0.000 1.509 756 I HN 0.776 nan 8.210 nan 0.000 0.463 757 A N 0.700 123.152 122.820 -0.614 0.000 2.389 757 A HA -0.036 4.287 4.320 0.004 0.000 0.668 757 A C -0.831 176.377 177.584 -0.628 0.000 0.196 757 A CA -0.356 51.382 52.037 -0.498 0.000 0.132 757 A CB -2.413 16.443 19.000 -0.240 0.000 3.869 757 A HN 0.349 nan 8.150 nan 0.000 0.534 758 F N 4.086 123.871 119.950 -0.275 0.000 2.334 758 F HA 0.508 5.038 4.527 0.004 0.000 0.367 758 F C 1.357 176.795 175.800 -0.604 0.000 1.115 758 F CA -1.209 56.514 58.000 -0.461 0.000 1.116 758 F CB 1.259 39.930 39.000 -0.549 0.000 1.230 758 F HN 0.552 nan 8.300 nan 0.000 0.484 759 M N 1.684 121.142 119.600 -0.236 0.000 2.558 759 M HA 0.015 4.497 4.480 0.004 0.000 0.255 759 M C 0.627 176.851 176.300 -0.128 0.000 1.113 759 M CA 0.469 55.664 55.300 -0.175 0.000 1.097 759 M CB -1.188 31.354 32.600 -0.097 0.000 1.426 759 M HN 0.566 nan 8.290 nan 0.000 0.488 760 H N 0.484 119.519 119.070 -0.059 0.000 2.791 760 H HA -0.103 4.455 4.556 0.004 0.000 0.302 760 H C -0.145 175.078 175.328 -0.175 0.000 1.198 760 H CA 0.753 56.720 56.048 -0.135 0.000 1.145 760 H CB -2.258 27.388 29.762 -0.194 0.000 1.385 760 H HN 0.495 nan 8.280 nan 0.000 0.409 761 S N -1.404 114.246 115.700 -0.084 0.000 2.647 761 S HA 0.577 5.049 4.470 0.004 0.000 0.300 761 S C 0.113 174.574 174.600 -0.231 0.000 1.129 761 S CA -0.822 57.301 58.200 -0.129 0.000 1.029 761 S CB 2.766 65.909 63.200 -0.095 0.000 1.007 761 S HN 0.105 nan 8.310 nan 0.000 0.484 762 V N 4.160 123.905 119.914 -0.282 0.000 2.715 762 V HA 0.388 4.511 4.120 0.004 0.000 0.299 762 V C -0.076 175.838 176.094 -0.299 0.000 1.054 762 V CA 0.206 62.262 62.300 -0.406 0.000 1.077 762 V CB 1.124 32.560 31.823 -0.645 0.000 0.972 762 V HN 0.895 nan 8.190 nan 0.000 0.484 763 Q N 2.017 121.595 119.800 -0.370 0.000 2.456 763 Q HA 0.437 4.779 4.340 0.004 0.000 0.284 763 Q C -1.090 174.878 176.000 -0.054 0.000 1.061 763 Q CA -0.781 54.881 55.803 -0.235 0.000 0.799 763 Q CB 2.453 30.973 28.738 -0.362 0.000 1.445 763 Q HN 0.682 nan 8.270 nan 0.000 0.411 764 D N -0.157 120.275 120.400 0.053 0.000 2.329 764 D HA 0.501 5.144 4.640 0.004 0.000 0.246 764 D C 0.502 176.902 176.300 0.167 0.000 1.111 764 D CA 1.068 55.122 54.000 0.090 0.000 0.941 764 D CB 1.101 41.934 40.800 0.055 0.000 1.169 764 D HN 0.688 nan 8.370 nan 0.000 0.441 765 G N -0.179 108.686 108.800 0.109 0.000 2.795 765 G HA2 0.118 4.080 3.960 0.004 0.000 0.664 765 G HA3 0.118 4.080 3.960 0.004 0.000 0.664 765 G C -0.177 174.761 174.900 0.063 0.000 1.381 765 G CA -0.337 44.803 45.100 0.067 0.000 0.853 765 G HN 0.679 nan 8.290 nan 0.000 0.545 766 A N 0.164 122.973 122.820 -0.019 0.000 2.425 766 A HA 0.815 5.137 4.320 0.004 0.000 0.242 766 A C 1.268 178.787 177.584 -0.109 0.000 1.077 766 A CA 1.302 53.306 52.037 -0.054 0.000 0.781 766 A CB 0.138 19.059 19.000 -0.133 0.000 1.020 766 A HN 2.614 nan 8.150 nan 0.000 0.494 767 A N 1.236 124.045 122.820 -0.019 0.000 2.406 767 A HA 0.436 4.758 4.320 0.004 0.000 0.243 767 A C 1.477 179.081 177.584 0.033 0.000 1.082 767 A CA 0.348 52.312 52.037 -0.121 0.000 0.786 767 A CB -0.188 18.945 19.000 0.223 0.000 1.029 767 A HN 1.101 nan 8.150 nan 0.000 0.495 768 S N 0.566 116.223 115.700 -0.071 0.000 2.359 768 S HA -0.096 4.376 4.470 0.004 0.000 0.224 768 S C 0.809 175.351 174.600 -0.096 0.000 1.035 768 S CA 1.917 60.084 58.200 -0.055 0.000 1.018 768 S CB -0.411 62.744 63.200 -0.076 0.000 0.876 768 S HN 0.888 nan 8.310 nan 0.000 0.448 769 K N -0.056 120.226 120.400 -0.196 0.000 2.615 769 K HA 0.404 4.726 4.320 0.004 0.000 0.291 769 K C -1.419 174.921 176.600 -0.434 0.000 1.017 769 K CA -0.879 55.132 56.287 -0.461 0.000 0.882 769 K CB 0.950 33.146 32.500 -0.507 0.000 1.522 769 K HN 0.064 nan 8.250 nan 0.000 0.412 770 S N 0.043 115.454 115.700 -0.481 0.000 2.601 770 S HA 0.285 4.757 4.470 0.004 0.000 0.271 770 S C -0.216 174.242 174.600 -0.235 0.000 1.305 770 S CA -0.551 57.555 58.200 -0.157 0.000 1.022 770 S CB -0.021 63.108 63.200 -0.118 0.000 0.940 770 S HN 0.589 nan 8.310 nan 0.000 0.525 771 Y N 0.149 120.449 120.300 -0.001 0.000 2.612 771 Y HA 0.348 4.900 4.550 0.004 0.000 0.250 771 Y C 2.122 178.040 175.900 0.029 0.000 1.175 771 Y CA -0.556 57.556 58.100 0.019 0.000 1.205 771 Y CB -0.569 37.928 38.460 0.062 0.000 1.201 771 Y HN 0.867 nan 8.280 nan 0.000 0.532 772 G N 1.324 110.207 108.800 0.139 0.000 2.624 772 G HA2 -0.318 3.644 3.960 0.004 0.000 0.221 772 G HA3 -0.318 3.644 3.960 0.004 0.000 0.221 772 G C 1.614 176.560 174.900 0.076 0.000 1.169 772 G CA 1.717 46.875 45.100 0.096 0.000 0.771 772 G HN 0.406 nan 8.290 nan 0.000 0.598 773 L N 0.430 121.680 121.223 0.046 0.000 2.046 773 L HA -0.041 4.302 4.340 0.004 0.000 0.208 773 L C 3.456 180.356 176.870 0.050 0.000 1.077 773 L CA 1.101 55.960 54.840 0.032 0.000 0.747 773 L CB -0.714 41.348 42.059 0.004 0.000 0.896 773 L HN 0.339 nan 8.230 nan 0.000 0.432 774 A N -0.046 122.819 122.820 0.075 0.000 1.933 774 A HA -0.135 4.188 4.320 0.004 0.000 0.218 774 A C 2.337 179.978 177.584 0.096 0.000 1.175 774 A CA 1.813 53.904 52.037 0.091 0.000 0.628 774 A CB -0.739 18.350 19.000 0.148 0.000 0.814 774 A HN 0.217 nan 8.150 nan 0.000 0.444 775 V N -0.383 119.605 119.914 0.123 0.000 2.379 775 V HA -0.157 3.965 4.120 0.004 0.000 0.245 775 V C 3.015 179.158 176.094 0.081 0.000 1.044 775 V CA 1.633 64.005 62.300 0.120 0.000 1.036 775 V CB -1.151 30.754 31.823 0.137 0.000 0.664 775 V HN 0.597 nan 8.190 nan 0.000 0.453 776 A N 0.190 123.050 122.820 0.067 0.000 1.940 776 A HA -0.130 4.192 4.320 0.004 0.000 0.219 776 A C 2.373 179.980 177.584 0.039 0.000 1.176 776 A CA 2.097 54.162 52.037 0.047 0.000 0.631 776 A CB -0.635 18.388 19.000 0.039 0.000 0.814 776 A HN 0.566 nan 8.150 nan 0.000 0.446 777 A N -0.861 121.983 122.820 0.040 0.000 1.968 777 A HA 0.092 4.415 4.320 0.004 0.000 0.217 777 A C 2.027 179.629 177.584 0.029 0.000 1.169 777 A CA 1.468 53.523 52.037 0.029 0.000 0.638 777 A CB -0.441 18.574 19.000 0.026 0.000 0.812 777 A HN 0.642 nan 8.150 nan 0.000 0.446 778 L N -0.484 120.762 121.223 0.039 0.000 2.217 778 L HA 0.093 4.436 4.340 0.004 0.000 0.211 778 L C 2.416 179.309 176.870 0.038 0.000 1.107 778 L CA 1.747 56.610 54.840 0.038 0.000 0.783 778 L CB -0.529 41.563 42.059 0.055 0.000 0.919 778 L HN 0.301 nan 8.230 nan 0.000 0.442 779 A N -0.917 121.926 122.820 0.040 0.000 2.067 779 A HA 0.356 4.679 4.320 0.004 0.000 0.217 779 A C 1.751 179.350 177.584 0.025 0.000 1.156 779 A CA 0.821 52.879 52.037 0.034 0.000 0.683 779 A CB -0.658 18.362 19.000 0.034 0.000 0.808 779 A HN 0.832 nan 8.150 nan 0.000 0.455 780 G N -1.853 106.960 108.800 0.022 0.000 2.143 780 G HA2 -0.121 3.841 3.960 0.004 0.000 0.175 780 G HA3 -0.121 3.841 3.960 0.004 0.000 0.175 780 G C 0.039 174.948 174.900 0.015 0.000 1.004 780 G CA -0.133 44.977 45.100 0.017 0.000 0.671 780 G HN 0.703 nan 8.290 nan 0.000 0.512 781 V N 3.051 122.976 119.914 0.017 0.000 2.540 781 V HA 0.277 4.400 4.120 0.004 0.000 0.297 781 V C -0.770 175.331 176.094 0.012 0.000 1.024 781 V CA -0.610 61.698 62.300 0.015 0.000 1.105 781 V CB 0.703 32.536 31.823 0.017 0.000 0.938 781 V HN 0.328 nan 8.190 nan 0.000 0.482 782 P HA 0.067 nan 4.420 nan 0.000 0.265 782 P C 0.431 177.735 177.300 0.006 0.000 1.187 782 P CA -0.280 62.824 63.100 0.007 0.000 0.766 782 P CB 0.731 32.435 31.700 0.006 0.000 0.820 783 K N 2.762 123.165 120.400 0.005 0.000 2.009 783 K HA -0.175 4.148 4.320 0.004 0.000 0.210 783 K C 1.893 178.494 176.600 0.003 0.000 1.049 783 K CA 1.833 58.123 56.287 0.004 0.000 0.929 783 K CB -0.720 31.781 32.500 0.002 0.000 0.714 783 K HN 0.641 nan 8.250 nan 0.000 0.440 784 E N 0.719 120.921 120.200 0.002 0.000 2.187 784 E HA -0.184 4.169 4.350 0.004 0.000 0.199 784 E C 1.937 178.538 176.600 0.002 0.000 1.004 784 E CA 1.558 57.958 56.400 0.001 0.000 0.813 784 E CB -0.533 29.167 29.700 0.001 0.000 0.736 784 E HN 0.018 nan 8.360 nan 0.000 0.468 785 V N 1.578 121.494 119.914 0.003 0.000 2.346 785 V HA -0.178 3.945 4.120 0.004 0.000 0.244 785 V C 2.421 178.517 176.094 0.003 0.000 1.037 785 V CA 1.041 63.343 62.300 0.003 0.000 1.029 785 V CB -0.290 31.536 31.823 0.005 0.000 0.663 785 V HN 0.248 nan 8.190 nan 0.000 0.454 786 I N 0.694 121.266 120.570 0.005 0.000 2.286 786 I HA -0.245 3.928 4.170 0.004 0.000 0.248 786 I C 2.440 178.556 176.117 -0.000 0.000 1.115 786 I CA 1.779 63.082 61.300 0.004 0.000 1.392 786 I CB -1.184 36.820 38.000 0.007 0.000 1.065 786 I HN 0.420 nan 8.210 nan 0.000 0.418 787 K N 1.145 121.545 120.400 -0.001 0.000 2.097 787 K HA -0.236 4.087 4.320 0.004 0.000 0.206 787 K C 2.284 178.881 176.600 -0.004 0.000 1.049 787 K CA 1.597 57.882 56.287 -0.003 0.000 0.933 787 K CB 0.010 32.509 32.500 -0.003 0.000 0.717 787 K HN 0.018 nan 8.250 nan 0.000 0.442 788 R N 0.236 120.735 120.500 -0.003 0.000 2.210 788 R HA 0.143 4.486 4.340 0.004 0.000 0.203 788 R C 1.768 178.066 176.300 -0.004 0.000 1.010 788 R CA 1.178 57.276 56.100 -0.003 0.000 1.008 788 R CB -0.286 30.013 30.300 -0.001 0.000 0.923 788 R HN 0.278 nan 8.270 nan 0.000 0.469 789 A N 0.201 123.019 122.820 -0.003 0.000 1.969 789 A HA -0.056 4.266 4.320 0.004 0.000 0.218 789 A C 2.137 179.715 177.584 -0.010 0.000 1.169 789 A CA 1.149 53.184 52.037 -0.005 0.000 0.635 789 A CB -0.375 18.624 19.000 -0.001 0.000 0.810 789 A HN 0.318 nan 8.150 nan 0.000 0.445 790 R N -1.012 119.481 120.500 -0.012 0.000 2.090 790 R HA -0.083 4.259 4.340 0.004 0.000 0.228 790 R C 2.461 178.751 176.300 -0.017 0.000 1.110 790 R CA 1.167 57.256 56.100 -0.019 0.000 0.973 790 R CB -0.215 30.074 30.300 -0.019 0.000 0.869 790 R HN 0.639 nan 8.270 nan 0.000 0.440 791 Q N 0.516 120.309 119.800 -0.012 0.000 2.135 791 Q HA -0.235 4.108 4.340 0.004 0.000 0.204 791 Q C 1.714 177.708 176.000 -0.010 0.000 0.981 791 Q CA 1.630 57.427 55.803 -0.010 0.000 0.856 791 Q CB 0.116 28.849 28.738 -0.007 0.000 0.902 791 Q HN -0.032 nan 8.270 nan 0.000 0.425 792 K N 0.398 120.792 120.400 -0.009 0.000 2.062 792 K HA -0.102 4.220 4.320 0.004 0.000 0.205 792 K C 1.938 178.532 176.600 -0.010 0.000 1.051 792 K CA 0.582 56.864 56.287 -0.007 0.000 0.941 792 K CB -0.595 31.902 32.500 -0.005 0.000 0.719 792 K HN 0.154 nan 8.250 nan 0.000 0.440 793 L N 1.207 122.420 121.223 -0.017 0.000 2.042 793 L HA -0.106 4.236 4.340 0.004 0.000 0.210 793 L C 1.945 178.799 176.870 -0.026 0.000 1.076 793 L CA 1.775 56.600 54.840 -0.025 0.000 0.749 793 L CB -0.399 41.636 42.059 -0.040 0.000 0.893 793 L HN 0.119 nan 8.230 nan 0.000 0.432 794 R N -0.732 119.753 120.500 -0.025 0.000 2.152 794 R HA -0.174 4.169 4.340 0.004 0.000 0.232 794 R C 2.131 178.423 176.300 -0.013 0.000 1.117 794 R CA 1.282 57.369 56.100 -0.022 0.000 0.981 794 R CB -0.259 30.028 30.300 -0.021 0.000 0.870 794 R HN 0.461 nan 8.270 nan 0.000 0.451 795 E N 0.724 120.918 120.200 -0.009 0.000 2.023 795 E HA -0.185 4.167 4.350 0.004 0.000 0.196 795 E C 1.768 178.368 176.600 0.001 0.000 1.003 795 E CA 1.355 57.753 56.400 -0.003 0.000 0.809 795 E CB -0.037 29.662 29.700 -0.001 0.000 0.755 795 E HN 0.240 nan 8.360 nan 0.000 0.449 796 L N 0.361 121.585 121.223 0.002 0.000 2.217 796 L HA -0.114 4.228 4.340 0.004 0.000 0.211 796 L C 2.181 179.058 176.870 0.012 0.000 1.107 796 L CA 0.863 55.710 54.840 0.012 0.000 0.783 796 L CB -0.255 41.813 42.059 0.016 0.000 0.919 796 L HN 0.153 nan 8.230 nan 0.000 0.442 797 E N -0.043 120.156 120.200 -0.002 0.000 2.208 797 E HA -0.145 4.207 4.350 0.004 0.000 0.193 797 E C 2.214 178.816 176.600 0.002 0.000 0.988 797 E CA 1.194 57.591 56.400 -0.005 0.000 0.828 797 E CB 0.074 29.759 29.700 -0.025 0.000 0.763 797 E HN 0.484 nan 8.360 nan 0.000 0.478 798 S N 0.298 115.998 115.700 0.000 0.000 2.515 798 S HA -0.049 4.423 4.470 0.004 0.000 0.231 798 S C 1.856 176.458 174.600 0.004 0.000 0.987 798 S CA 0.183 58.384 58.200 0.001 0.000 0.936 798 S CB -0.322 62.877 63.200 -0.001 0.000 0.766 798 S HN 0.158 nan 8.310 nan 0.000 0.528 799 I N 1.119 121.694 120.570 0.008 0.000 2.090 799 I HA -0.105 4.068 4.170 0.004 0.000 0.236 799 I C 2.052 178.172 176.117 0.004 0.000 1.064 799 I CA 0.926 62.230 61.300 0.007 0.000 1.324 799 I CB -0.644 37.362 38.000 0.012 0.000 1.044 799 I HN 0.296 nan 8.210 nan 0.000 0.399 800 S N 0.000 115.706 115.700 0.010 0.000 2.498 800 S HA 0.000 4.472 4.470 0.004 0.000 0.327 800 S CA 0.000 58.206 58.200 0.011 0.000 1.107 800 S CB 0.000 63.212 63.200 0.020 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517