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 3iyn_1_B DATA FIRST_RESID 6 DATA SEQUENCE MPQWSYMHIS GQDASEYLSP GLVQFARATE TYFSLNNKFR NPTVAPTHDV DATA SEQUENCE TTDRSQRLTL RFIPVDREDT AYSYKARFTL AVGDNRVLDM ASTYFDIRGV DATA SEQUENCE LDRGPTFKPY SGTAYNALAP KGAPNPCEWD XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXT HVFGQAPYSG INITKEGIQI GVEGQTPKYA DKTFQPEPQI DATA SEQUENCE GESQWYETEI NHAAGRVLKK TTPMKPCYGS YAKPTNENGG QGILVKQQNG DATA SEQUENCE KLESQVEMQF FSTTEATAGN GDNLTPKVVL YSEDVDIETP DTHISYMPTI DATA SEQUENCE KEGNSRELMG QQSMPNRPNY IAFRDNFIGL MYYNSTGNMG VLAGQASQLN DATA SEQUENCE AVVDLQDRNT ELSYQLLLDS IGDRTRYFSM WNQAVDSYDP DVRIIENHGT DATA SEQUENCE EDELPNYCFP LGGVINTETL TKVKPKTGQE NGWEKDATEF SDKNEIRVGN DATA SEQUENCE NFAMEINLNA NLWRNFLYSN IALYLPDKLK YSPSNVKISD NPNTYDYMNK DATA SEQUENCE RVVAPGLVDC YINLGARWSL DYMDNVNPFN HHRNAGLRYR SMLLGNGRYV DATA SEQUENCE PFHIQVPQKF FAIKNLLLLP GSYTYEWNFR KDVNMVLQSS LGNDLRVDGA DATA SEQUENCE SIKFDSICLY ATFFPMAHNT ASTLEAMLRN DTNDQSFNDY LSAANMLYPI DATA SEQUENCE PANATNVPIS IPSRNWAAFR GWAFTRLKTK ETPSLGSGYD PYYTYSGSIP DATA SEQUENCE YLDGTFYLNH TFKKVAITFD SSVSWPGNDR LLTPNEFEIK RSVDGEGYNV DATA SEQUENCE AQCNMTKDWF LVQMLANYNI GYQGFYIPES YKDRMYSFFR NFQPMSRQVV DATA SEQUENCE DDTKYKDYQQ VGILHQHNNS GFVGYLAPTM REGQAYPANF PYPLIGKTAV DATA SEQUENCE DSITQKKFLC DRTLWRIPFS SNFMSMGALT DLGQNLLYAN SAHALDMTFE DATA SEQUENCE VDPMDEPTLL YVLFEVFDVV RVHRPHRGVI ETVYLRTPFS AGNA 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 6 M HA 0.000 nan 4.480 nan 0.000 0.227 6 M C 0.000 176.243 176.300 -0.095 0.000 1.140 6 M CA 0.000 55.183 55.300 -0.195 0.000 0.988 6 M CB 0.000 32.516 32.600 -0.140 0.000 1.302 7 P HA -0.099 nan 4.420 nan 0.000 0.221 7 P C 1.438 178.724 177.300 -0.023 0.000 1.145 7 P CA 1.448 64.517 63.100 -0.052 0.000 0.795 7 P CB 0.113 31.765 31.700 -0.080 0.000 0.775 8 Q N -1.790 117.969 119.800 -0.069 0.000 2.033 8 Q HA -0.076 4.264 4.340 -0.000 0.000 0.196 8 Q C 1.874 177.994 176.000 0.199 0.000 0.970 8 Q CA 1.478 57.288 55.803 0.013 0.000 0.828 8 Q CB -0.958 27.731 28.738 -0.081 0.000 0.895 8 Q HN 0.235 nan 8.270 nan 0.000 0.440 9 W N 0.195 121.506 121.300 0.019 0.000 2.380 9 W HA -0.022 4.638 4.660 -0.000 0.000 0.317 9 W C 2.565 179.068 176.519 -0.026 0.000 1.196 9 W CA 1.167 58.516 57.345 0.008 0.000 1.307 9 W CB -1.662 27.807 29.460 0.014 0.000 1.157 9 W HN 0.183 nan 8.180 nan 0.000 0.483 10 S N -0.348 115.485 115.700 0.221 0.000 2.381 10 S HA -0.344 4.126 4.470 -0.000 0.000 0.230 10 S C 1.940 176.466 174.600 -0.125 0.000 1.052 10 S CA 2.064 60.303 58.200 0.064 0.000 1.068 10 S CB -0.925 62.313 63.200 0.063 0.000 0.918 10 S HN 0.253 nan 8.310 nan 0.000 0.448 11 Y N 1.188 121.385 120.300 -0.171 0.000 2.145 11 Y HA 0.038 4.588 4.550 -0.000 0.000 0.286 11 Y C 2.076 177.760 175.900 -0.360 0.000 1.145 11 Y CA 1.830 59.771 58.100 -0.264 0.000 1.148 11 Y CB -0.267 38.117 38.460 -0.127 0.000 0.981 11 Y HN 0.257 nan 8.280 nan 0.000 0.507 12 M N -0.007 119.514 119.600 -0.132 0.000 2.682 12 M HA -0.029 4.451 4.480 -0.000 0.000 0.235 12 M C 0.024 176.265 176.300 -0.099 0.000 1.114 12 M CA 0.785 56.005 55.300 -0.133 0.000 1.053 12 M CB -1.538 31.105 32.600 0.072 0.000 1.599 12 M HN 0.414 nan 8.290 nan 0.000 0.520 13 H N -1.137 117.864 119.070 -0.115 0.000 2.899 13 H HA -0.157 4.399 4.556 -0.000 0.000 0.282 13 H C 1.178 176.480 175.328 -0.044 0.000 1.198 13 H CA 0.597 56.574 56.048 -0.119 0.000 1.140 13 H CB -1.461 28.196 29.762 -0.175 0.000 1.317 13 H HN 0.303 nan 8.280 nan 0.000 0.375 14 I N -0.191 120.408 120.570 0.049 0.000 2.546 14 I HA -0.071 4.099 4.170 -0.000 0.000 0.255 14 I C 1.602 177.662 176.117 -0.096 0.000 1.163 14 I CA 1.494 62.732 61.300 -0.104 0.000 1.457 14 I CB -0.348 37.457 38.000 -0.326 0.000 1.092 14 I HN 0.347 nan 8.210 nan 0.000 0.434 15 S N -1.180 114.566 115.700 0.077 0.000 2.705 15 S HA 0.799 5.269 4.470 -0.000 0.000 0.280 15 S C -0.010 174.686 174.600 0.160 0.000 1.174 15 S CA 0.026 58.302 58.200 0.126 0.000 0.823 15 S CB 2.294 65.648 63.200 0.257 0.000 1.162 15 S HN 0.546 nan 8.310 nan 0.000 0.487 16 G N 0.574 109.466 108.800 0.154 0.000 2.445 16 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.212 16 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.212 16 G C -1.042 173.958 174.900 0.167 0.000 1.217 16 G CA -0.264 44.928 45.100 0.154 0.000 1.002 16 G HN 0.975 nan 8.290 nan 0.000 0.574 17 Q N 0.350 120.279 119.800 0.215 0.000 2.249 17 Q HA 0.499 4.839 4.340 -0.000 0.000 0.226 17 Q C -0.514 175.657 176.000 0.284 0.000 0.983 17 Q CA -0.691 55.245 55.803 0.222 0.000 0.930 17 Q CB 0.855 29.730 28.738 0.230 0.000 1.193 17 Q HN 0.540 nan 8.270 nan 0.000 0.508 18 D N -0.346 120.147 120.400 0.154 0.000 2.354 18 D HA 0.148 4.788 4.640 -0.000 0.000 0.247 18 D C 0.604 176.829 176.300 -0.125 0.000 1.138 18 D CA 0.018 54.056 54.000 0.063 0.000 0.958 18 D CB 1.336 42.131 40.800 -0.008 0.000 1.144 18 D HN 0.675 nan 8.370 nan 0.000 0.458 19 A N 1.060 123.663 122.820 -0.363 0.000 1.948 19 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 19 A C 2.009 179.212 177.584 -0.635 0.000 1.177 19 A CA 2.413 53.898 52.037 -0.920 0.000 0.636 19 A CB -0.710 17.949 19.000 -0.568 0.000 0.815 19 A HN 0.569 nan 8.150 nan 0.000 0.449 20 S N -0.702 114.800 115.700 -0.329 0.000 2.500 20 S HA -0.127 4.343 4.470 -0.000 0.000 0.239 20 S C 1.399 175.895 174.600 -0.173 0.000 0.989 20 S CA 1.416 59.482 58.200 -0.224 0.000 0.951 20 S CB -0.219 62.901 63.200 -0.133 0.000 0.759 20 S HN 0.737 nan 8.310 nan 0.000 0.523 21 E N 0.106 120.213 120.200 -0.157 0.000 2.207 21 E HA 0.087 4.437 4.350 -0.000 0.000 0.197 21 E C 1.516 178.109 176.600 -0.011 0.000 0.914 21 E CA 0.494 56.864 56.400 -0.051 0.000 0.914 21 E CB -0.265 29.448 29.700 0.021 0.000 0.893 21 E HN 0.769 nan 8.360 nan 0.000 0.479 22 Y N 1.275 121.575 120.300 -0.000 0.000 2.578 22 Y HA 0.294 4.844 4.550 -0.000 0.000 0.297 22 Y C 0.070 175.968 175.900 -0.002 0.000 1.176 22 Y CA 0.049 58.178 58.100 0.049 0.000 1.315 22 Y CB -0.243 38.326 38.460 0.182 0.000 1.031 22 Y HN -0.192 nan 8.280 nan 0.000 0.524 23 L N 1.810 122.772 121.223 -0.435 0.000 2.322 23 L HA 0.343 4.683 4.340 -0.000 0.000 0.281 23 L C 0.351 177.080 176.870 -0.235 0.000 1.014 23 L CA -1.216 53.354 54.840 -0.450 0.000 0.815 23 L CB 1.616 43.192 42.059 -0.805 0.000 1.247 23 L HN 0.239 nan 8.230 nan 0.000 0.421 24 S N 2.286 117.899 115.700 -0.145 0.000 2.817 24 S HA -0.053 4.417 4.470 -0.000 0.000 0.333 24 S C -1.846 172.692 174.600 -0.103 0.000 1.227 24 S CA -0.722 57.426 58.200 -0.087 0.000 1.027 24 S CB 0.135 63.296 63.200 -0.065 0.000 0.732 24 S HN 0.479 nan 8.310 nan 0.000 0.499 25 P HA -0.043 nan 4.420 nan 0.000 0.214 25 P C 1.883 179.158 177.300 -0.041 0.000 1.163 25 P CA 1.764 64.832 63.100 -0.054 0.000 0.889 25 P CB -0.528 31.155 31.700 -0.029 0.000 0.790 26 G N -0.033 108.751 108.800 -0.026 0.000 2.446 26 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 26 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 26 G C 1.495 176.402 174.900 0.011 0.000 1.168 26 G CA 0.729 45.827 45.100 -0.003 0.000 0.771 26 G HN 0.214 nan 8.290 nan 0.000 0.551 27 L N 0.877 122.079 121.223 -0.035 0.000 2.046 27 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 27 L C 2.990 179.853 176.870 -0.012 0.000 1.077 27 L CA 1.443 56.260 54.840 -0.038 0.000 0.747 27 L CB -0.628 41.350 42.059 -0.135 0.000 0.896 27 L HN 0.104 nan 8.230 nan 0.000 0.432 28 V N -0.402 119.457 119.914 -0.093 0.000 2.287 28 V HA -0.367 3.753 4.120 -0.000 0.000 0.248 28 V C 2.585 178.663 176.094 -0.027 0.000 1.053 28 V CA 2.117 64.356 62.300 -0.103 0.000 1.027 28 V CB -0.790 30.950 31.823 -0.137 0.000 0.646 28 V HN 0.650 nan 8.190 nan 0.000 0.447 29 Q N -0.754 119.048 119.800 0.004 0.000 2.084 29 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 29 Q C 2.130 178.162 176.000 0.053 0.000 0.978 29 Q CA 2.201 58.016 55.803 0.019 0.000 0.844 29 Q CB -0.234 28.522 28.738 0.029 0.000 0.898 29 Q HN 0.662 nan 8.270 nan 0.000 0.426 30 F N 0.373 120.305 119.950 -0.031 0.000 2.186 30 F HA -0.087 4.440 4.527 -0.000 0.000 0.299 30 F C 1.932 177.723 175.800 -0.014 0.000 1.090 30 F CA 1.368 59.364 58.000 -0.006 0.000 1.307 30 F CB -0.331 38.678 39.000 0.015 0.000 1.019 30 F HN 0.132 nan 8.300 nan 0.000 0.489 31 A N 0.453 123.331 122.820 0.097 0.000 1.969 31 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 31 A C 2.337 179.843 177.584 -0.131 0.000 1.169 31 A CA 1.469 53.502 52.037 -0.006 0.000 0.635 31 A CB -0.784 18.250 19.000 0.056 0.000 0.810 31 A HN 0.489 nan 8.150 nan 0.000 0.445 32 R N -0.573 119.860 120.500 -0.112 0.000 2.115 32 R HA 0.029 4.369 4.340 -0.000 0.000 0.226 32 R C 2.082 178.287 176.300 -0.160 0.000 1.100 32 R CA 1.196 57.227 56.100 -0.115 0.000 0.980 32 R CB -0.245 30.008 30.300 -0.077 0.000 0.875 32 R HN 0.419 nan 8.270 nan 0.000 0.445 33 A N -0.084 122.612 122.820 -0.207 0.000 2.021 33 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 33 A C 1.830 179.185 177.584 -0.382 0.000 1.163 33 A CA 1.265 53.169 52.037 -0.221 0.000 0.676 33 A CB -0.244 18.658 19.000 -0.163 0.000 0.818 33 A HN 0.514 nan 8.150 nan 0.000 0.453 34 T N -2.282 111.912 114.554 -0.599 0.000 3.129 34 T HA 0.087 4.437 4.350 -0.000 0.000 0.251 34 T C 0.970 175.277 174.700 -0.654 0.000 1.117 34 T CA 0.782 62.328 62.100 -0.922 0.000 1.034 34 T CB -0.009 68.298 68.868 -0.935 0.000 0.968 34 T HN 0.340 nan 8.240 nan 0.000 0.526 35 E N 2.421 122.389 120.200 -0.387 0.000 2.453 35 E HA -0.058 4.292 4.350 -0.000 0.000 0.207 35 E C 1.357 177.822 176.600 -0.225 0.000 1.212 35 E CA 0.908 57.162 56.400 -0.243 0.000 0.959 35 E CB -0.804 28.800 29.700 -0.160 0.000 0.957 35 E HN 0.821 nan 8.360 nan 0.000 0.540 36 T N -3.531 110.816 114.554 -0.345 0.000 3.330 36 T HA 0.028 4.378 4.350 -0.000 0.000 0.240 36 T C 1.664 176.316 174.700 -0.079 0.000 0.988 36 T CA 0.360 62.358 62.100 -0.171 0.000 1.253 36 T CB -0.727 68.115 68.868 -0.043 0.000 1.163 36 T HN 0.282 nan 8.240 nan 0.000 0.382 37 Y N 0.558 120.874 120.300 0.027 0.000 2.190 37 Y HA 0.600 5.150 4.550 -0.000 0.000 0.290 37 Y C 0.828 176.834 175.900 0.177 0.000 1.115 37 Y CA -0.914 57.238 58.100 0.086 0.000 1.107 37 Y CB -0.462 38.050 38.460 0.087 0.000 1.033 37 Y HN 0.161 nan 8.280 nan 0.000 0.502 38 F N 1.444 121.312 119.950 -0.135 0.000 2.420 38 F HA 0.540 5.067 4.527 -0.000 0.000 0.342 38 F C -0.169 175.557 175.800 -0.123 0.000 1.113 38 F CA -1.521 56.465 58.000 -0.024 0.000 1.059 38 F CB 1.633 40.720 39.000 0.145 0.000 1.128 38 F HN -0.088 nan 8.300 nan 0.000 0.475 39 S N 5.874 121.406 115.700 -0.279 0.000 2.530 39 S HA 0.511 4.981 4.470 -0.000 0.000 0.322 39 S C 0.278 174.774 174.600 -0.173 0.000 1.085 39 S CA -0.580 57.508 58.200 -0.187 0.000 1.096 39 S CB 0.475 63.577 63.200 -0.163 0.000 0.988 39 S HN 0.719 nan 8.310 nan 0.000 0.466 40 L N 4.424 125.650 121.223 0.005 0.000 2.693 40 L HA 0.251 4.591 4.340 -0.000 0.000 0.235 40 L C 1.752 178.729 176.870 0.179 0.000 1.127 40 L CA -0.168 54.748 54.840 0.127 0.000 0.914 40 L CB -0.169 42.107 42.059 0.361 0.000 1.193 40 L HN 0.512 nan 8.230 nan 0.000 0.502 41 N N 1.704 120.457 118.700 0.088 0.000 2.104 41 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 41 N C 1.457 177.008 175.510 0.068 0.000 1.024 41 N CA 1.703 54.809 53.050 0.094 0.000 0.853 41 N CB -0.476 38.018 38.487 0.012 0.000 1.008 41 N HN 0.497 nan 8.380 nan 0.000 0.424 42 N N 1.364 120.053 118.700 -0.018 0.000 2.571 42 N HA -0.085 4.655 4.740 -0.000 0.000 0.189 42 N C 0.509 175.946 175.510 -0.122 0.000 1.154 42 N CA 0.539 53.556 53.050 -0.056 0.000 0.907 42 N CB 0.038 38.481 38.487 -0.073 0.000 0.977 42 N HN 0.158 nan 8.380 nan 0.000 0.449 43 K N -0.201 120.068 120.400 -0.218 0.000 2.367 43 K HA 0.146 4.466 4.320 -0.000 0.000 0.194 43 K C -0.500 175.615 176.600 -0.808 0.000 1.027 43 K CA 0.101 56.054 56.287 -0.557 0.000 1.075 43 K CB 0.269 32.269 32.500 -0.833 0.000 0.845 43 K HN 0.173 nan 8.250 nan 0.000 0.529 44 F N 1.110 121.052 119.950 -0.013 0.000 2.536 44 F HA 0.355 4.882 4.527 -0.000 0.000 0.322 44 F C 0.395 176.191 175.800 -0.007 0.000 1.144 44 F CA -1.435 56.570 58.000 0.008 0.000 0.924 44 F CB 1.271 40.242 39.000 -0.048 0.000 1.181 44 F HN -0.290 nan 8.300 nan 0.000 0.438 45 R N 2.447 123.045 120.500 0.163 0.000 2.590 45 R HA 0.260 4.600 4.340 -0.000 0.000 0.274 45 R C -0.950 175.402 176.300 0.087 0.000 1.061 45 R CA 0.068 56.222 56.100 0.090 0.000 1.081 45 R CB 0.121 30.470 30.300 0.081 0.000 0.984 45 R HN 0.593 nan 8.270 nan 0.000 0.448 46 N N 6.273 125.008 118.700 0.059 0.000 2.524 46 N HA 0.305 5.045 4.740 -0.000 0.000 0.261 46 N C -2.548 172.989 175.510 0.045 0.000 0.998 46 N CA -1.327 51.754 53.050 0.052 0.000 0.915 46 N CB 1.916 40.415 38.487 0.019 0.000 1.187 46 N HN 0.536 nan 8.380 nan 0.000 0.507 47 P HA 0.121 nan 4.420 nan 0.000 0.272 47 P C -0.544 176.767 177.300 0.018 0.000 1.223 47 P CA -0.093 63.030 63.100 0.037 0.000 0.784 47 P CB 0.772 32.510 31.700 0.064 0.000 0.923 48 T N -1.306 113.242 114.554 -0.009 0.000 2.879 48 T HA 0.542 4.892 4.350 -0.000 0.000 0.290 48 T C -0.524 174.160 174.700 -0.027 0.000 0.993 48 T CA -0.696 61.398 62.100 -0.011 0.000 0.975 48 T CB 0.850 69.709 68.868 -0.016 0.000 0.981 48 T HN 0.158 nan 8.240 nan 0.000 0.439 49 V N 2.108 122.017 119.914 -0.008 0.000 2.540 49 V HA 0.810 4.930 4.120 -0.000 0.000 0.302 49 V C 0.425 176.521 176.094 0.004 0.000 1.035 49 V CA -1.130 61.164 62.300 -0.009 0.000 0.873 49 V CB 1.593 33.429 31.823 0.022 0.000 0.992 49 V HN 1.275 nan 8.190 nan 0.000 0.428 50 A N 6.377 129.198 122.820 0.000 0.000 2.327 50 A HA 0.826 5.146 4.320 -0.000 0.000 0.283 50 A C -1.715 175.882 177.584 0.021 0.000 1.127 50 A CA -1.242 50.800 52.037 0.009 0.000 0.810 50 A CB -0.032 18.972 19.000 0.007 0.000 1.066 50 A HN 0.747 nan 8.150 nan 0.000 0.492 51 P HA 0.081 nan 4.420 nan 0.000 0.270 51 P C 0.234 177.545 177.300 0.018 0.000 1.221 51 P CA 0.522 63.610 63.100 -0.021 0.000 0.788 51 P CB 0.349 31.997 31.700 -0.086 0.000 0.904 52 T N -3.284 111.304 114.554 0.056 0.000 3.460 52 T HA 0.243 4.593 4.350 -0.000 0.000 0.304 52 T C 0.075 174.909 174.700 0.223 0.000 0.991 52 T CA -0.508 61.673 62.100 0.135 0.000 0.975 52 T CB -0.856 68.113 68.868 0.168 0.000 1.196 52 T HN 0.887 nan 8.240 nan 0.000 0.490 53 H N -1.562 117.536 119.070 0.046 0.000 3.093 53 H HA 0.306 4.862 4.556 -0.000 0.000 0.312 53 H C -1.639 173.719 175.328 0.051 0.000 1.213 53 H CA -0.534 55.540 56.048 0.042 0.000 1.366 53 H CB 0.126 29.910 29.762 0.037 0.000 1.998 53 H HN 0.018 nan 8.280 nan 0.000 0.522 54 D N 1.264 121.714 120.400 0.084 0.000 2.775 54 D HA -0.107 4.533 4.640 -0.000 0.000 0.235 54 D C 0.528 176.845 176.300 0.028 0.000 1.120 54 D CA 1.185 55.215 54.000 0.050 0.000 0.708 54 D CB -1.517 39.304 40.800 0.035 0.000 1.084 54 D HN 0.411 nan 8.370 nan 0.000 0.434 55 V N -1.930 118.026 119.914 0.069 0.000 3.837 55 V HA 0.130 4.250 4.120 -0.000 0.000 0.182 55 V C 0.911 177.130 176.094 0.208 0.000 1.356 55 V CA 1.064 63.449 62.300 0.141 0.000 1.260 55 V CB 0.888 32.773 31.823 0.102 0.000 1.287 55 V HN 0.132 nan 8.190 nan 0.000 0.572 56 T N 0.807 115.417 114.554 0.094 0.000 2.940 56 T HA 0.494 4.844 4.350 -0.000 0.000 0.288 56 T C -0.301 174.390 174.700 -0.016 0.000 1.033 56 T CA -0.016 62.094 62.100 0.016 0.000 1.033 56 T CB 2.012 70.847 68.868 -0.054 0.000 1.079 56 T HN 0.361 nan 8.240 nan 0.000 0.496 57 T N 0.365 114.876 114.554 -0.072 0.000 2.922 57 T HA 0.227 4.577 4.350 -0.000 0.000 0.285 57 T C 0.211 174.836 174.700 -0.125 0.000 1.005 57 T CA -0.654 61.346 62.100 -0.167 0.000 1.061 57 T CB 0.426 69.091 68.868 -0.338 0.000 1.007 57 T HN 0.449 nan 8.240 nan 0.000 0.502 58 D N 1.491 121.815 120.400 -0.127 0.000 2.366 58 D HA 0.100 4.740 4.640 -0.000 0.000 0.205 58 D C 1.071 177.330 176.300 -0.069 0.000 1.022 58 D CA 0.210 54.167 54.000 -0.072 0.000 0.868 58 D CB 0.111 40.885 40.800 -0.044 0.000 0.953 58 D HN 0.643 nan 8.370 nan 0.000 0.514 59 R N 0.545 120.982 120.500 -0.105 0.000 2.560 59 R HA 0.354 4.694 4.340 -0.000 0.000 0.270 59 R C 0.348 176.629 176.300 -0.032 0.000 1.074 59 R CA -0.478 55.590 56.100 -0.055 0.000 1.140 59 R CB 0.753 31.033 30.300 -0.035 0.000 1.073 59 R HN -0.214 nan 8.270 nan 0.000 0.527 60 S N 0.838 116.534 115.700 -0.006 0.000 2.552 60 S HA -0.016 4.454 4.470 -0.000 0.000 0.289 60 S C -0.576 174.029 174.600 0.008 0.000 1.304 60 S CA 0.021 58.219 58.200 -0.002 0.000 1.063 60 S CB 0.194 63.394 63.200 0.001 0.000 0.848 60 S HN 0.618 nan 8.310 nan 0.000 0.499 61 Q N 2.920 122.718 119.800 -0.002 0.000 2.403 61 Q HA 0.287 4.627 4.340 -0.000 0.000 0.267 61 Q C -1.422 174.569 176.000 -0.016 0.000 0.991 61 Q CA -0.670 55.131 55.803 -0.004 0.000 0.906 61 Q CB 1.207 29.961 28.738 0.026 0.000 1.422 61 Q HN 0.773 nan 8.270 nan 0.000 0.400 62 R N 2.887 123.366 120.500 -0.036 0.000 2.390 62 R HA 0.268 4.608 4.340 -0.000 0.000 0.291 62 R C 0.824 177.136 176.300 0.020 0.000 1.070 62 R CA -0.068 56.021 56.100 -0.018 0.000 1.014 62 R CB 0.806 31.081 30.300 -0.041 0.000 1.007 62 R HN 0.639 nan 8.270 nan 0.000 0.466 63 L N 1.032 122.292 121.223 0.062 0.000 2.162 63 L HA 0.007 4.347 4.340 -0.000 0.000 0.205 63 L C 0.254 177.254 176.870 0.217 0.000 1.086 63 L CA 1.218 56.131 54.840 0.123 0.000 0.778 63 L CB 0.421 42.527 42.059 0.078 0.000 0.928 63 L HN 0.617 nan 8.230 nan 0.000 0.446 64 T N 0.650 115.310 114.554 0.175 0.000 2.841 64 T HA 0.479 4.829 4.350 -0.000 0.000 0.285 64 T C -0.497 174.288 174.700 0.143 0.000 0.991 64 T CA -0.395 61.837 62.100 0.220 0.000 0.966 64 T CB 1.955 70.953 68.868 0.218 0.000 0.962 64 T HN -0.106 nan 8.240 nan 0.000 0.438 65 L N 2.737 124.043 121.223 0.139 0.000 2.331 65 L HA 0.671 5.011 4.340 -0.000 0.000 0.275 65 L C 0.284 176.918 176.870 -0.393 0.000 1.022 65 L CA -1.042 53.707 54.840 -0.153 0.000 0.812 65 L CB 1.861 43.804 42.059 -0.193 0.000 1.257 65 L HN 0.379 nan 8.230 nan 0.000 0.435 66 R N 1.715 121.826 120.500 -0.649 0.000 2.480 66 R HA 0.573 4.913 4.340 -0.000 0.000 0.306 66 R C -1.719 174.133 176.300 -0.747 0.000 0.958 66 R CA -0.458 55.163 56.100 -0.797 0.000 0.861 66 R CB 1.226 31.119 30.300 -0.678 0.000 1.171 66 R HN 0.333 nan 8.270 nan 0.000 0.445 67 F N 4.501 124.338 119.950 -0.189 0.000 2.469 67 F HA 0.480 5.007 4.527 -0.000 0.000 0.332 67 F C 0.281 176.191 175.800 0.184 0.000 1.103 67 F CA -0.991 57.032 58.000 0.037 0.000 0.979 67 F CB 1.369 40.442 39.000 0.121 0.000 1.137 67 F HN 0.151 nan 8.300 nan 0.000 0.463 68 I N 3.221 124.017 120.570 0.376 0.000 2.498 68 I HA 0.345 4.515 4.170 -0.000 0.000 0.301 68 I C -2.280 173.993 176.117 0.260 0.000 0.984 68 I CA -2.980 58.496 61.300 0.293 0.000 1.204 68 I CB 1.299 39.377 38.000 0.131 0.000 1.362 68 I HN 0.265 nan 8.210 nan 0.000 0.471 69 P HA 0.024 nan 4.420 nan 0.000 0.268 69 P C 0.747 177.933 177.300 -0.190 0.000 1.204 69 P CA 0.157 62.990 63.100 -0.445 0.000 0.768 69 P CB 0.974 32.414 31.700 -0.434 0.000 0.842 70 V N 1.731 121.531 119.914 -0.189 0.000 3.052 70 V HA 0.046 4.166 4.120 -0.000 0.000 0.254 70 V C 0.141 176.168 176.094 -0.111 0.000 1.100 70 V CA 1.435 63.686 62.300 -0.082 0.000 1.112 70 V CB -0.390 31.416 31.823 -0.029 0.000 0.738 70 V HN 0.609 nan 8.190 nan 0.000 0.469 71 D N -0.715 119.577 120.400 -0.180 0.000 2.886 71 D HA 0.444 5.084 4.640 -0.000 0.000 0.216 71 D C -0.784 175.376 176.300 -0.233 0.000 1.256 71 D CA -0.441 53.458 54.000 -0.168 0.000 0.844 71 D CB 1.411 42.129 40.800 -0.136 0.000 1.669 71 D HN 0.182 nan 8.370 nan 0.000 0.513 72 R N 2.237 122.605 120.500 -0.221 0.000 2.686 72 R HA 0.573 4.912 4.340 -0.000 0.000 0.283 72 R C -1.022 175.083 176.300 -0.324 0.000 0.978 72 R CA -0.975 54.941 56.100 -0.306 0.000 0.897 72 R CB 2.050 32.196 30.300 -0.256 0.000 1.192 72 R HN 0.250 nan 8.270 nan 0.000 0.457 73 E N 1.988 121.913 120.200 -0.457 0.000 2.580 73 E HA 0.081 4.431 4.350 -0.000 0.000 0.248 73 E C -1.535 174.792 176.600 -0.455 0.000 1.018 73 E CA -0.554 55.630 56.400 -0.361 0.000 0.775 73 E CB 1.542 31.089 29.700 -0.254 0.000 1.378 73 E HN 0.433 nan 8.360 nan 0.000 0.401 74 D N 1.736 121.908 120.400 -0.380 0.000 2.336 74 D HA 0.168 4.808 4.640 -0.000 0.000 0.249 74 D C -0.382 175.884 176.300 -0.057 0.000 1.213 74 D CA 0.384 54.303 54.000 -0.134 0.000 0.870 74 D CB 0.682 41.583 40.800 0.168 0.000 1.076 74 D HN 0.010 nan 8.370 nan 0.000 0.483 75 T N 1.988 116.509 114.554 -0.055 0.000 2.919 75 T HA 0.544 4.894 4.350 -0.000 0.000 0.282 75 T C 1.449 176.069 174.700 -0.134 0.000 1.020 75 T CA -0.065 61.954 62.100 -0.134 0.000 0.994 75 T CB 1.406 70.130 68.868 -0.239 0.000 1.180 75 T HN 0.335 nan 8.240 nan 0.000 0.566 76 A N 0.525 123.207 122.820 -0.229 0.000 1.896 76 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 76 A C 1.500 179.020 177.584 -0.107 0.000 1.206 76 A CA 2.476 54.404 52.037 -0.182 0.000 0.647 76 A CB -0.946 17.934 19.000 -0.199 0.000 0.828 76 A HN 0.956 nan 8.150 nan 0.000 0.455 77 Y N -2.108 118.201 120.300 0.014 0.000 2.563 77 Y HA 0.522 5.072 4.550 -0.000 0.000 0.250 77 Y C 0.295 176.339 175.900 0.241 0.000 1.126 77 Y CA -0.555 57.590 58.100 0.074 0.000 1.231 77 Y CB -0.547 37.904 38.460 -0.016 0.000 1.288 77 Y HN 0.360 nan 8.280 nan 0.000 0.537 78 S N -0.879 114.911 115.700 0.150 0.000 2.618 78 S HA 0.640 5.110 4.470 -0.000 0.000 0.277 78 S C -1.934 172.861 174.600 0.325 0.000 1.138 78 S CA -0.705 57.721 58.200 0.377 0.000 0.844 78 S CB 2.296 65.726 63.200 0.384 0.000 1.127 78 S HN 0.243 nan 8.310 nan 0.000 0.474 79 Y N 0.627 121.102 120.300 0.292 0.000 2.391 79 Y HA 0.685 5.235 4.550 -0.000 0.000 0.341 79 Y C -0.580 175.433 175.900 0.189 0.000 0.965 79 Y CA -0.527 57.702 58.100 0.216 0.000 1.067 79 Y CB 1.815 40.437 38.460 0.270 0.000 1.199 79 Y HN 0.963 nan 8.280 nan 0.000 0.450 80 K N 4.069 124.351 120.400 -0.197 0.000 2.376 80 K HA 0.889 5.209 4.320 -0.000 0.000 0.257 80 K C -1.821 174.646 176.600 -0.222 0.000 0.939 80 K CA -0.648 55.569 56.287 -0.115 0.000 0.809 80 K CB 1.272 33.671 32.500 -0.168 0.000 1.121 80 K HN 0.688 nan 8.250 nan 0.000 0.425 81 A N 4.248 127.029 122.820 -0.065 0.000 2.356 81 A HA 0.591 4.911 4.320 -0.000 0.000 0.310 81 A C -1.238 176.196 177.584 -0.250 0.000 1.075 81 A CA -0.802 51.109 52.037 -0.210 0.000 0.746 81 A CB 1.246 20.176 19.000 -0.117 0.000 1.221 81 A HN 0.793 nan 8.150 nan 0.000 0.443 82 R N 1.644 121.895 120.500 -0.416 0.000 2.562 82 R HA 0.738 5.078 4.340 -0.000 0.000 0.298 82 R C -1.735 174.310 176.300 -0.425 0.000 0.961 82 R CA -0.335 55.618 56.100 -0.245 0.000 0.881 82 R CB 0.984 31.209 30.300 -0.125 0.000 1.159 82 R HN 0.619 nan 8.270 nan 0.000 0.450 83 F N -0.046 119.970 119.950 0.109 0.000 2.593 83 F HA 0.383 4.910 4.527 -0.000 0.000 0.320 83 F C 0.208 176.064 175.800 0.093 0.000 1.060 83 F CA -0.835 57.237 58.000 0.119 0.000 0.940 83 F CB 2.471 41.566 39.000 0.159 0.000 1.268 83 F HN 0.244 nan 8.300 nan 0.000 0.475 84 T N 3.380 118.083 114.554 0.247 0.000 3.042 84 T HA 0.295 4.645 4.350 -0.000 0.000 0.356 84 T C -0.766 173.905 174.700 -0.047 0.000 1.233 84 T CA -0.321 61.855 62.100 0.126 0.000 1.038 84 T CB 0.086 69.023 68.868 0.115 0.000 1.089 84 T HN 0.352 nan 8.240 nan 0.000 0.531 85 L N 4.416 125.579 121.223 -0.099 0.000 2.385 85 L HA 0.604 4.944 4.340 -0.000 0.000 0.281 85 L C 0.094 176.909 176.870 -0.092 0.000 1.106 85 L CA -0.337 54.255 54.840 -0.413 0.000 0.856 85 L CB -0.644 41.294 42.059 -0.201 0.000 1.186 85 L HN 0.581 nan 8.230 nan 0.000 0.453 86 A N 5.334 128.105 122.820 -0.081 0.000 2.271 86 A HA 0.634 4.954 4.320 -0.000 0.000 0.317 86 A C -0.537 177.231 177.584 0.308 0.000 1.245 86 A CA -0.579 51.566 52.037 0.179 0.000 0.857 86 A CB 0.971 20.101 19.000 0.216 0.000 1.175 86 A HN 0.503 nan 8.150 nan 0.000 0.512 87 V N 4.093 124.190 119.914 0.306 0.000 2.218 87 V HA 0.335 4.455 4.120 -0.000 0.000 0.261 87 V C 1.332 177.536 176.094 0.185 0.000 1.142 87 V CA -0.035 62.478 62.300 0.355 0.000 0.965 87 V CB 0.015 32.083 31.823 0.409 0.000 1.190 87 V HN 1.148 nan 8.190 nan 0.000 0.478 88 G N 3.169 112.012 108.800 0.071 0.000 3.026 88 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.232 88 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.232 88 G C 0.116 175.015 174.900 -0.001 0.000 1.241 88 G CA -0.215 44.883 45.100 -0.004 0.000 0.858 88 G HN 0.613 nan 8.290 nan 0.000 0.592 89 D N 0.354 120.733 120.400 -0.035 0.000 2.352 89 D HA -0.053 4.587 4.640 -0.000 0.000 0.238 89 D C 0.810 177.042 176.300 -0.114 0.000 1.286 89 D CA 0.236 54.206 54.000 -0.050 0.000 0.923 89 D CB 0.232 40.995 40.800 -0.062 0.000 1.146 89 D HN 0.501 nan 8.370 nan 0.000 0.471 90 N N 0.194 118.829 118.700 -0.109 0.000 2.666 90 N HA -0.240 4.500 4.740 -0.000 0.000 0.248 90 N C -0.469 175.017 175.510 -0.041 0.000 1.118 90 N CA 1.116 54.078 53.050 -0.147 0.000 0.722 90 N CB -0.585 37.594 38.487 -0.514 0.000 1.050 90 N HN 0.431 nan 8.380 nan 0.000 0.550 91 R N -0.698 119.830 120.500 0.045 0.000 2.808 91 R HA 0.726 5.066 4.340 -0.000 0.000 0.272 91 R C -0.384 176.047 176.300 0.218 0.000 0.995 91 R CA -0.916 55.281 56.100 0.162 0.000 0.917 91 R CB 2.346 32.725 30.300 0.131 0.000 1.217 91 R HN -0.002 nan 8.270 nan 0.000 0.471 92 V N -0.589 119.496 119.914 0.286 0.000 2.925 92 V HA 0.718 4.838 4.120 -0.000 0.000 0.311 92 V C -1.436 174.774 176.094 0.193 0.000 1.104 92 V CA -1.059 61.362 62.300 0.201 0.000 0.954 92 V CB 2.001 33.894 31.823 0.118 0.000 1.022 92 V HN 0.580 nan 8.190 nan 0.000 0.427 93 L N 2.388 123.629 121.223 0.030 0.000 2.381 93 L HA 0.686 5.026 4.340 -0.000 0.000 0.274 93 L C -0.696 176.070 176.870 -0.173 0.000 0.988 93 L CA 0.051 54.765 54.840 -0.210 0.000 0.824 93 L CB 1.642 43.475 42.059 -0.377 0.000 1.263 93 L HN 0.940 nan 8.230 nan 0.000 0.410 94 D N 5.321 125.625 120.400 -0.160 0.000 2.347 94 D HA 0.116 4.756 4.640 -0.000 0.000 0.235 94 D C 1.160 177.366 176.300 -0.156 0.000 1.149 94 D CA -0.351 53.583 54.000 -0.110 0.000 0.850 94 D CB 1.150 41.921 40.800 -0.047 0.000 1.061 94 D HN 0.576 nan 8.370 nan 0.000 0.487 95 M N 2.913 122.401 119.600 -0.186 0.000 2.260 95 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 95 M C 1.889 178.094 176.300 -0.159 0.000 1.066 95 M CA 0.787 55.953 55.300 -0.224 0.000 1.082 95 M CB -1.181 31.256 32.600 -0.272 0.000 1.388 95 M HN 0.511 nan 8.290 nan 0.000 0.419 96 A N -0.113 122.647 122.820 -0.101 0.000 2.178 96 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 96 A C 2.109 179.715 177.584 0.037 0.000 1.157 96 A CA 1.703 53.716 52.037 -0.040 0.000 0.689 96 A CB -0.685 18.312 19.000 -0.004 0.000 0.787 96 A HN 0.604 nan 8.150 nan 0.000 0.465 97 S N -0.621 115.089 115.700 0.016 0.000 2.597 97 S HA 0.180 4.650 4.470 -0.000 0.000 0.224 97 S C 0.616 175.261 174.600 0.075 0.000 0.955 97 S CA 0.308 58.567 58.200 0.098 0.000 0.933 97 S CB -0.879 62.352 63.200 0.053 0.000 0.788 97 S HN 0.599 nan 8.310 nan 0.000 0.488 98 T N -0.151 114.396 114.554 -0.011 0.000 2.945 98 T HA 0.751 5.101 4.350 -0.000 0.000 0.286 98 T C -0.746 173.939 174.700 -0.024 0.000 1.025 98 T CA -0.760 61.264 62.100 -0.126 0.000 1.039 98 T CB 1.199 69.934 68.868 -0.222 0.000 1.068 98 T HN 0.696 nan 8.240 nan 0.000 0.497 99 Y N -1.613 118.614 120.300 -0.121 0.000 2.662 99 Y HA 0.631 5.181 4.550 -0.000 0.000 0.334 99 Y C -2.068 173.715 175.900 -0.196 0.000 1.185 99 Y CA -2.600 55.407 58.100 -0.156 0.000 1.074 99 Y CB 0.467 39.050 38.460 0.205 0.000 1.330 99 Y HN 0.646 nan 8.280 nan 0.000 0.458 100 F N 1.788 121.924 119.950 0.310 0.000 2.411 100 F HA 0.341 4.868 4.527 -0.000 0.000 0.355 100 F C 0.072 176.039 175.800 0.277 0.000 1.117 100 F CA -0.242 57.866 58.000 0.180 0.000 1.139 100 F CB 1.107 40.181 39.000 0.123 0.000 1.120 100 F HN 0.593 nan 8.300 nan 0.000 0.493 101 D N 4.806 125.500 120.400 0.490 0.000 2.317 101 D HA 0.474 5.114 4.640 -0.000 0.000 0.234 101 D C -0.764 175.688 176.300 0.254 0.000 1.112 101 D CA -0.059 54.202 54.000 0.434 0.000 0.840 101 D CB 0.701 41.860 40.800 0.599 0.000 1.078 101 D HN 0.309 nan 8.370 nan 0.000 0.486 102 I N 3.750 124.417 120.570 0.162 0.000 2.465 102 I HA 0.474 4.644 4.170 -0.000 0.000 0.291 102 I C -0.006 176.147 176.117 0.061 0.000 1.014 102 I CA -0.921 60.393 61.300 0.023 0.000 1.093 102 I CB 1.828 39.746 38.000 -0.136 0.000 1.267 102 I HN 0.176 nan 8.210 nan 0.000 0.431 103 R N 3.923 124.352 120.500 -0.118 0.000 2.561 103 R HA 0.831 5.171 4.340 -0.000 0.000 0.297 103 R C -0.324 175.704 176.300 -0.453 0.000 0.969 103 R CA -0.746 55.165 56.100 -0.315 0.000 0.879 103 R CB 2.430 32.536 30.300 -0.323 0.000 1.178 103 R HN 0.881 nan 8.270 nan 0.000 0.445 104 G N 0.706 108.917 108.800 -0.982 0.000 2.634 104 G HA2 0.487 4.447 3.960 -0.000 0.000 0.309 104 G HA3 0.487 4.447 3.960 -0.000 0.000 0.309 104 G C -1.703 172.697 174.900 -0.832 0.000 1.299 104 G CA -0.421 44.203 45.100 -0.793 0.000 0.798 104 G HN 0.290 nan 8.290 nan 0.000 0.490 105 V N 0.200 119.944 119.914 -0.283 0.000 2.604 105 V HA 0.754 4.874 4.120 -0.000 0.000 0.305 105 V C -0.864 175.380 176.094 0.250 0.000 1.043 105 V CA -0.682 61.608 62.300 -0.017 0.000 0.888 105 V CB 1.570 33.380 31.823 -0.022 0.000 0.995 105 V HN 0.859 nan 8.190 nan 0.000 0.429 106 L N 3.209 124.613 121.223 0.301 0.000 2.386 106 L HA 0.808 5.148 4.340 -0.000 0.000 0.271 106 L C -1.214 175.696 176.870 0.067 0.000 0.993 106 L CA 0.024 54.973 54.840 0.181 0.000 0.819 106 L CB 2.091 44.230 42.059 0.133 0.000 1.294 106 L HN 0.701 nan 8.230 nan 0.000 0.414 107 D N 2.961 123.359 120.400 -0.002 0.000 2.462 107 D HA 0.337 4.977 4.640 -0.000 0.000 0.245 107 D C 0.447 176.650 176.300 -0.162 0.000 1.122 107 D CA -0.366 53.615 54.000 -0.031 0.000 0.864 107 D CB 1.462 42.312 40.800 0.085 0.000 1.098 107 D HN 0.611 nan 8.370 nan 0.000 0.541 108 R N 1.944 122.268 120.500 -0.292 0.000 2.316 108 R HA 0.302 4.642 4.340 -0.000 0.000 0.202 108 R C 1.325 177.498 176.300 -0.213 0.000 1.029 108 R CA 0.621 56.517 56.100 -0.340 0.000 1.018 108 R CB -0.127 29.777 30.300 -0.660 0.000 0.888 108 R HN 0.657 nan 8.270 nan 0.000 0.471 109 G N 0.407 109.094 108.800 -0.188 0.000 2.796 109 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.571 109 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.571 109 G C -2.052 172.764 174.900 -0.140 0.000 1.370 109 G CA -0.401 44.618 45.100 -0.134 0.000 0.856 109 G HN 0.060 nan 8.290 nan 0.000 0.538 110 P HA 0.019 nan 4.420 nan 0.000 0.241 110 P C 1.505 178.657 177.300 -0.247 0.000 1.191 110 P CA 1.965 64.981 63.100 -0.139 0.000 0.771 110 P CB 0.006 31.655 31.700 -0.084 0.000 0.929 111 T N -4.573 109.790 114.554 -0.319 0.000 3.129 111 T HA 0.062 4.412 4.350 -0.000 0.000 0.251 111 T C 0.307 174.630 174.700 -0.628 0.000 1.117 111 T CA -0.524 61.151 62.100 -0.709 0.000 1.034 111 T CB -0.965 67.525 68.868 -0.630 0.000 0.968 111 T HN -0.135 nan 8.240 nan 0.000 0.526 112 F N 2.801 122.474 119.950 -0.463 0.000 2.472 112 F HA 0.508 5.035 4.527 -0.000 0.000 0.364 112 F C 0.240 175.797 175.800 -0.404 0.000 1.090 112 F CA -1.278 56.497 58.000 -0.376 0.000 1.188 112 F CB 0.520 39.354 39.000 -0.277 0.000 1.105 112 F HN 0.023 nan 8.300 nan 0.000 0.536 113 K N 9.201 128.985 120.400 -1.027 0.000 2.723 113 K HA 0.328 4.648 4.320 -0.000 0.000 0.229 113 K C -2.620 173.230 176.600 -1.250 0.000 1.022 113 K CA -1.699 53.924 56.287 -1.106 0.000 1.045 113 K CB 1.350 33.371 32.500 -0.797 0.000 1.227 113 K HN 0.299 nan 8.250 nan 0.000 0.516 114 P HA 0.001 nan 4.420 nan 0.000 0.269 114 P C -1.425 175.659 177.300 -0.361 0.000 1.601 114 P CA 0.199 62.773 63.100 -0.876 0.000 0.831 114 P CB -0.701 30.796 31.700 -0.338 0.000 1.688 115 Y N -5.021 114.975 120.300 -0.507 0.000 2.717 115 Y HA 0.497 5.047 4.550 -0.000 0.000 0.345 115 Y C -1.178 174.606 175.900 -0.193 0.000 1.187 115 Y CA -1.340 56.634 58.100 -0.210 0.000 1.128 115 Y CB -0.210 38.170 38.460 -0.134 0.000 1.360 115 Y HN -0.320 nan 8.280 nan 0.000 0.467 116 S N 1.220 116.994 115.700 0.125 0.000 2.617 116 S HA 0.807 5.277 4.470 -0.000 0.000 0.283 116 S C 0.417 175.122 174.600 0.175 0.000 1.189 116 S CA 0.115 58.339 58.200 0.039 0.000 1.036 116 S CB 1.007 64.218 63.200 0.019 0.000 1.014 116 S HN 1.871 nan 8.310 nan 0.000 0.522 117 G N 1.116 109.990 108.800 0.123 0.000 2.568 117 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.222 117 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.222 117 G C -0.267 174.733 174.900 0.167 0.000 1.321 117 G CA -0.128 45.072 45.100 0.167 0.000 0.893 117 G HN 0.966 nan 8.290 nan 0.000 0.569 118 T N -1.392 113.190 114.554 0.047 0.000 2.916 118 T HA 0.758 5.108 4.350 -0.000 0.000 0.292 118 T C 1.087 175.635 174.700 -0.253 0.000 1.055 118 T CA 0.754 62.803 62.100 -0.085 0.000 1.009 118 T CB 1.533 70.181 68.868 -0.365 0.000 1.118 118 T HN 2.064 nan 8.240 nan 0.000 0.497 119 A N 2.109 124.640 122.820 -0.482 0.000 2.238 119 A HA 0.381 4.701 4.320 -0.000 0.000 0.210 119 A C -0.416 176.648 177.584 -0.866 0.000 1.179 119 A CA 0.233 51.791 52.037 -0.798 0.000 0.827 119 A CB -0.188 18.152 19.000 -1.100 0.000 0.856 119 A HN 0.751 nan 8.150 nan 0.000 0.488 120 Y N 0.067 120.282 120.300 -0.142 0.000 2.326 120 Y HA 0.365 4.915 4.550 -0.000 0.000 0.331 120 Y C 0.091 175.909 175.900 -0.137 0.000 0.962 120 Y CA -1.185 56.859 58.100 -0.093 0.000 1.167 120 Y CB 0.819 39.266 38.460 -0.022 0.000 1.148 120 Y HN 0.248 nan 8.280 nan 0.000 0.463 121 N N 1.094 119.839 118.700 0.074 0.000 2.725 121 N HA -0.232 4.508 4.740 -0.000 0.000 0.251 121 N C 0.857 176.405 175.510 0.063 0.000 1.031 121 N CA 0.772 53.867 53.050 0.075 0.000 0.720 121 N CB -0.739 37.816 38.487 0.113 0.000 0.930 121 N HN 0.926 nan 8.380 nan 0.000 0.543 122 A N -0.237 122.593 122.820 0.016 0.000 2.019 122 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 122 A C 2.162 179.909 177.584 0.272 0.000 1.164 122 A CA 0.949 53.060 52.037 0.124 0.000 0.644 122 A CB -0.074 18.956 19.000 0.051 0.000 0.805 122 A HN 0.438 nan 8.150 nan 0.000 0.449 123 L N -0.746 120.578 121.223 0.170 0.000 2.554 123 L HA 0.145 4.485 4.340 -0.000 0.000 0.226 123 L C 1.345 178.303 176.870 0.147 0.000 1.137 123 L CA -0.020 54.904 54.840 0.140 0.000 0.863 123 L CB -0.413 41.702 42.059 0.094 0.000 0.985 123 L HN 0.367 nan 8.230 nan 0.000 0.451 124 A N 0.798 123.738 122.820 0.201 0.000 2.440 124 A HA 0.397 4.717 4.320 -0.000 0.000 0.251 124 A C -2.169 175.496 177.584 0.135 0.000 1.089 124 A CA -1.151 50.990 52.037 0.173 0.000 0.779 124 A CB -0.351 18.769 19.000 0.200 0.000 1.022 124 A HN -0.052 nan 8.150 nan 0.000 0.492 125 P HA 0.010 nan 4.420 nan 0.000 0.262 125 P C 0.290 177.568 177.300 -0.036 0.000 1.182 125 P CA 0.261 63.362 63.100 0.002 0.000 0.761 125 P CB 0.406 32.119 31.700 0.022 0.000 0.795 126 K N 1.986 122.281 120.400 -0.176 0.000 2.589 126 K HA -0.070 4.250 4.320 -0.000 0.000 0.195 126 K C 1.625 178.168 176.600 -0.094 0.000 1.040 126 K CA 1.257 57.387 56.287 -0.262 0.000 0.950 126 K CB -0.339 31.904 32.500 -0.428 0.000 0.781 126 K HN 0.618 nan 8.250 nan 0.000 0.486 127 G N 0.207 108.982 108.800 -0.042 0.000 2.944 127 G HA2 0.196 4.156 3.960 -0.000 0.000 0.223 127 G HA3 0.196 4.156 3.960 -0.000 0.000 0.223 127 G C 0.132 175.044 174.900 0.021 0.000 1.071 127 G CA -0.115 44.978 45.100 -0.011 0.000 0.806 127 G HN 0.236 nan 8.290 nan 0.000 0.538 128 A N 2.093 124.941 122.820 0.047 0.000 2.520 128 A HA 0.569 4.889 4.320 -0.000 0.000 0.245 128 A C -1.940 175.706 177.584 0.105 0.000 1.072 128 A CA -0.659 51.431 52.037 0.088 0.000 0.761 128 A CB 0.367 19.431 19.000 0.106 0.000 1.004 128 A HN 0.225 nan 8.150 nan 0.000 0.499 129 P HA 0.239 nan 4.420 nan 0.000 0.283 129 P C -0.798 176.607 177.300 0.174 0.000 1.278 129 P CA -0.877 62.297 63.100 0.124 0.000 0.834 129 P CB 0.989 32.736 31.700 0.078 0.000 1.150 130 N N 0.598 119.384 118.700 0.145 0.000 2.513 130 N HA 0.247 4.987 4.740 -0.000 0.000 0.274 130 N C -2.222 173.391 175.510 0.173 0.000 1.189 130 N CA -1.364 51.766 53.050 0.134 0.000 0.975 130 N CB -0.580 37.965 38.487 0.097 0.000 1.157 130 N HN 0.241 nan 8.380 nan 0.000 0.465 131 P HA 0.000 nan 4.420 nan 0.000 0.260 131 P C -0.284 177.118 177.300 0.169 0.000 1.185 131 P CA 0.082 63.254 63.100 0.121 0.000 0.763 131 P CB 0.196 31.918 31.700 0.037 0.000 0.776 132 C N 1.837 121.298 119.300 0.269 0.000 3.307 132 C HA 0.773 5.233 4.460 -0.000 0.000 0.350 132 C C -0.931 174.273 174.990 0.357 0.000 1.549 132 C CA -0.801 58.384 59.018 0.279 0.000 1.396 132 C CB 1.829 29.735 27.740 0.276 0.000 1.970 132 C HN 0.511 nan 8.230 nan 0.000 0.441 133 E N -0.753 119.660 120.200 0.354 0.000 2.383 133 E HA 0.667 5.017 4.350 -0.000 0.000 0.275 133 E C -1.670 175.185 176.600 0.426 0.000 0.918 133 E CA -0.217 56.357 56.400 0.289 0.000 0.764 133 E CB 2.405 32.171 29.700 0.110 0.000 1.252 133 E HN 0.901 nan 8.360 nan 0.000 0.449 134 W N 0.384 121.750 121.300 0.109 0.000 2.923 134 W HA 0.582 5.242 4.660 -0.000 0.000 0.373 134 W C -1.570 175.027 176.519 0.131 0.000 1.205 134 W CA -0.596 56.800 57.345 0.085 0.000 1.180 134 W CB 0.464 29.948 29.460 0.041 0.000 1.477 134 W HN 0.189 nan 8.180 nan 0.000 0.581 166 H N 0.198 118.842 119.070 -0.709 0.000 2.573 166 H HA 0.842 5.398 4.556 -0.000 0.000 0.351 166 H C -0.410 174.440 175.328 -0.796 0.000 1.163 166 H CA -0.739 54.801 56.048 -0.846 0.000 1.205 166 H CB 1.449 30.428 29.762 -1.304 0.000 1.605 166 H HN 0.386 nan 8.280 nan 0.000 0.525 167 V N 2.342 122.063 119.914 -0.322 0.000 2.656 167 V HA 0.294 4.414 4.120 -0.000 0.000 0.307 167 V C -1.227 174.922 176.094 0.090 0.000 1.051 167 V CA -0.794 61.434 62.300 -0.120 0.000 0.893 167 V CB 1.752 33.466 31.823 -0.182 0.000 0.999 167 V HN 0.639 nan 8.190 nan 0.000 0.426 168 F N 3.661 123.678 119.950 0.112 0.000 2.577 168 F HA 0.850 5.377 4.527 -0.000 0.000 0.344 168 F C 0.201 176.052 175.800 0.086 0.000 1.145 168 F CA -0.105 57.991 58.000 0.160 0.000 0.996 168 F CB 1.312 40.510 39.000 0.330 0.000 1.248 168 F HN 0.644 nan 8.300 nan 0.000 0.447 169 G N 4.073 112.622 108.800 -0.418 0.000 2.911 169 G HA2 0.526 4.486 3.960 -0.000 0.000 0.299 169 G HA3 0.526 4.486 3.960 -0.000 0.000 0.299 169 G C -2.108 172.579 174.900 -0.355 0.000 1.283 169 G CA -0.769 44.140 45.100 -0.319 0.000 0.805 169 G HN 0.633 nan 8.290 nan 0.000 0.548 170 Q N -1.164 118.522 119.800 -0.189 0.000 2.309 170 Q HA 0.609 4.949 4.340 -0.000 0.000 0.273 170 Q C -1.723 174.244 176.000 -0.053 0.000 1.040 170 Q CA -0.937 54.787 55.803 -0.132 0.000 0.834 170 Q CB 2.142 30.816 28.738 -0.108 0.000 1.345 170 Q HN 1.070 nan 8.270 nan 0.000 0.414 171 A N 4.690 127.492 122.820 -0.030 0.000 2.431 171 A HA 0.511 4.831 4.320 -0.000 0.000 0.318 171 A C -2.251 175.355 177.584 0.037 0.000 1.330 171 A CA -1.211 50.841 52.037 0.026 0.000 0.804 171 A CB 0.763 19.785 19.000 0.038 0.000 1.135 171 A HN 0.732 nan 8.150 nan 0.000 0.483 172 P HA 0.004 nan 4.420 nan 0.000 0.238 172 P C 0.016 177.366 177.300 0.083 0.000 1.183 172 P CA 0.454 63.588 63.100 0.057 0.000 0.813 172 P CB 0.116 31.852 31.700 0.059 0.000 0.944 173 Y N 1.544 121.847 120.300 0.004 0.000 2.335 173 Y HA 0.367 4.917 4.550 -0.000 0.000 0.331 173 Y C 0.286 176.198 175.900 0.020 0.000 1.094 173 Y CA -0.399 57.703 58.100 0.003 0.000 1.253 173 Y CB 0.722 39.175 38.460 -0.012 0.000 1.203 173 Y HN -0.211 nan 8.280 nan 0.000 0.508 174 S N 5.103 120.397 115.700 -0.676 0.000 2.420 174 S HA 0.675 5.145 4.470 -0.000 0.000 0.313 174 S C 0.021 174.255 174.600 -0.609 0.000 1.079 174 S CA -0.218 57.722 58.200 -0.433 0.000 1.104 174 S CB -0.309 62.730 63.200 -0.268 0.000 0.969 174 S HN 1.054 nan 8.310 nan 0.000 0.471 175 G N 3.530 112.208 108.800 -0.203 0.000 2.552 175 G HA2 0.512 4.472 3.960 -0.000 0.000 0.318 175 G HA3 0.512 4.472 3.960 -0.000 0.000 0.318 175 G C 0.823 175.697 174.900 -0.044 0.000 1.240 175 G CA -0.812 44.264 45.100 -0.040 0.000 1.002 175 G HN 0.697 nan 8.290 nan 0.000 0.493 176 I N -0.544 119.980 120.570 -0.076 0.000 2.193 176 I HA 0.007 4.177 4.170 -0.000 0.000 0.240 176 I C 0.980 176.850 176.117 -0.412 0.000 1.084 176 I CA 1.068 62.265 61.300 -0.171 0.000 1.365 176 I CB 0.062 37.976 38.000 -0.143 0.000 1.064 176 I HN 0.458 nan 8.210 nan 0.000 0.410 177 N N -0.975 117.511 118.700 -0.356 0.000 2.825 177 N HA 0.483 5.223 4.740 -0.000 0.000 0.253 177 N C -1.571 173.933 175.510 -0.011 0.000 1.426 177 N CA -0.591 52.150 53.050 -0.515 0.000 0.851 177 N CB 1.673 39.971 38.487 -0.314 0.000 1.470 177 N HN -0.058 nan 8.380 nan 0.000 0.517 178 I N 1.256 121.960 120.570 0.223 0.000 2.447 178 I HA 0.422 4.592 4.170 -0.000 0.000 0.287 178 I C -0.159 176.128 176.117 0.283 0.000 1.023 178 I CA -0.514 60.985 61.300 0.332 0.000 1.083 178 I CB 1.818 40.055 38.000 0.394 0.000 1.245 178 I HN 0.712 nan 8.210 nan 0.000 0.434 179 T N 1.103 115.849 114.554 0.320 0.000 2.742 179 T HA 0.360 4.710 4.350 -0.000 0.000 0.282 179 T C 0.628 175.403 174.700 0.126 0.000 1.025 179 T CA -0.727 61.477 62.100 0.175 0.000 1.020 179 T CB 1.748 70.732 68.868 0.193 0.000 1.317 179 T HN 0.383 nan 8.240 nan 0.000 0.538 180 K N 0.381 120.743 120.400 -0.064 0.000 2.442 180 K HA 0.002 4.322 4.320 -0.000 0.000 0.198 180 K C 1.676 178.299 176.600 0.038 0.000 1.044 180 K CA 1.236 57.461 56.287 -0.102 0.000 0.948 180 K CB -0.380 32.018 32.500 -0.169 0.000 0.762 180 K HN 0.564 nan 8.250 nan 0.000 0.472 181 E N -0.288 119.835 120.200 -0.127 0.000 2.435 181 E HA 0.100 4.450 4.350 -0.000 0.000 0.195 181 E C 0.889 177.348 176.600 -0.235 0.000 1.029 181 E CA 0.765 56.893 56.400 -0.454 0.000 0.865 181 E CB 0.229 29.065 29.700 -1.441 0.000 0.833 181 E HN 0.425 nan 8.360 nan 0.000 0.510 182 G N 1.675 110.551 108.800 0.126 0.000 2.384 182 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.204 182 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.204 182 G C -0.284 174.877 174.900 0.434 0.000 1.237 182 G CA -0.422 44.813 45.100 0.226 0.000 1.060 182 G HN 0.216 nan 8.290 nan 0.000 0.514 183 I N -1.406 119.417 120.570 0.422 0.000 2.474 183 I HA 0.654 4.824 4.170 -0.000 0.000 0.287 183 I C 0.270 176.554 176.117 0.278 0.000 1.048 183 I CA -0.507 61.004 61.300 0.351 0.000 1.383 183 I CB 1.397 39.593 38.000 0.327 0.000 1.412 183 I HN 0.686 nan 8.210 nan 0.000 0.531 184 Q N 6.171 126.028 119.800 0.094 0.000 2.296 184 Q HA 0.345 4.685 4.340 -0.000 0.000 0.257 184 Q C 0.533 176.512 176.000 -0.037 0.000 0.942 184 Q CA -0.554 55.137 55.803 -0.187 0.000 0.939 184 Q CB 1.439 29.972 28.738 -0.342 0.000 1.198 184 Q HN 0.934 nan 8.270 nan 0.000 0.429 185 I N 0.557 121.102 120.570 -0.042 0.000 3.793 185 I HA 0.476 4.646 4.170 -0.000 0.000 0.315 185 I C 0.630 176.749 176.117 0.004 0.000 1.275 185 I CA 0.204 61.535 61.300 0.053 0.000 1.214 185 I CB 0.245 38.240 38.000 -0.009 0.000 1.018 185 I HN 0.651 nan 8.210 nan 0.000 0.439 186 G N 1.373 110.127 108.800 -0.076 0.000 2.398 186 G HA2 0.357 4.317 3.960 -0.000 0.000 0.251 186 G HA3 0.357 4.317 3.960 -0.000 0.000 0.251 186 G C -1.159 173.674 174.900 -0.112 0.000 1.277 186 G CA 0.045 45.102 45.100 -0.072 0.000 0.927 186 G HN 0.722 nan 8.290 nan 0.000 0.477 187 V N -3.424 116.447 119.914 -0.072 0.000 2.766 187 V HA 0.593 4.713 4.120 -0.000 0.000 0.286 187 V C -0.646 175.428 176.094 -0.032 0.000 1.237 187 V CA -0.815 61.445 62.300 -0.066 0.000 0.934 187 V CB 1.291 33.072 31.823 -0.071 0.000 1.068 187 V HN 0.803 nan 8.190 nan 0.000 0.451 188 E N 3.825 124.014 120.200 -0.019 0.000 1.833 188 E HA 0.398 4.748 4.350 -0.000 0.000 0.258 188 E C 1.329 177.926 176.600 -0.003 0.000 1.257 188 E CA 0.994 57.391 56.400 -0.005 0.000 1.003 188 E CB 0.377 30.080 29.700 0.005 0.000 1.068 188 E HN 1.472 nan 8.360 nan 0.000 0.422 189 G N 3.837 112.633 108.800 -0.006 0.000 3.377 189 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.304 189 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.304 189 G C 0.879 175.775 174.900 -0.007 0.000 1.366 189 G CA 0.417 45.514 45.100 -0.004 0.000 1.020 189 G HN 0.548 nan 8.290 nan 0.000 0.621 190 Q N 0.328 120.126 119.800 -0.003 0.000 2.378 190 Q HA 0.244 4.584 4.340 -0.000 0.000 0.229 190 Q C 0.714 176.712 176.000 -0.003 0.000 0.882 190 Q CA 0.799 56.600 55.803 -0.004 0.000 0.936 190 Q CB 0.787 29.525 28.738 0.001 0.000 1.092 190 Q HN 0.545 nan 8.270 nan 0.000 0.535 191 T N 2.551 117.105 114.554 0.000 0.000 2.899 191 T HA 0.312 4.662 4.350 -0.000 0.000 0.284 191 T C -2.542 172.147 174.700 -0.018 0.000 1.004 191 T CA -1.390 60.715 62.100 0.007 0.000 1.043 191 T CB 1.240 70.122 68.868 0.024 0.000 1.013 191 T HN -0.143 nan 8.240 nan 0.000 0.518 192 P HA 0.390 nan 4.420 nan 0.000 0.301 192 P C -0.854 176.336 177.300 -0.183 0.000 1.348 192 P CA -0.864 62.152 63.100 -0.140 0.000 0.826 192 P CB 0.721 32.312 31.700 -0.182 0.000 0.945 193 K N 3.359 123.643 120.400 -0.192 0.000 2.234 193 K HA 0.348 4.668 4.320 -0.000 0.000 0.282 193 K C -0.318 176.137 176.600 -0.242 0.000 1.039 193 K CA -0.289 55.928 56.287 -0.117 0.000 0.928 193 K CB 0.179 32.645 32.500 -0.056 0.000 1.039 193 K HN 0.425 nan 8.250 nan 0.000 0.470 194 Y N -0.086 120.218 120.300 0.007 0.000 2.487 194 Y HA 0.455 5.005 4.550 -0.000 0.000 0.337 194 Y C 0.654 176.530 175.900 -0.041 0.000 1.076 194 Y CA -1.105 57.001 58.100 0.010 0.000 1.115 194 Y CB 1.549 40.031 38.460 0.036 0.000 1.235 194 Y HN 0.620 nan 8.280 nan 0.000 0.468 195 A N 1.503 124.380 122.820 0.095 0.000 2.498 195 A HA 0.050 4.370 4.320 -0.000 0.000 0.239 195 A C -0.144 177.350 177.584 -0.150 0.000 1.068 195 A CA -0.288 51.664 52.037 -0.142 0.000 0.766 195 A CB -0.063 18.766 19.000 -0.285 0.000 1.003 195 A HN 0.708 nan 8.150 nan 0.000 0.497 196 D N 2.057 122.257 120.400 -0.334 0.000 2.352 196 D HA 0.097 4.737 4.640 -0.000 0.000 0.245 196 D C 1.021 177.137 176.300 -0.308 0.000 1.224 196 D CA -0.006 53.841 54.000 -0.255 0.000 0.879 196 D CB 0.486 41.131 40.800 -0.259 0.000 1.057 196 D HN 0.550 nan 8.370 nan 0.000 0.491 197 K N 1.295 121.643 120.400 -0.086 0.000 2.127 197 K HA -0.239 4.081 4.320 -0.000 0.000 0.212 197 K C 1.902 178.480 176.600 -0.037 0.000 1.050 197 K CA 2.092 58.387 56.287 0.014 0.000 0.929 197 K CB -0.257 32.342 32.500 0.164 0.000 0.715 197 K HN 0.566 nan 8.250 nan 0.000 0.457 198 T N -1.082 113.482 114.554 0.017 0.000 2.881 198 T HA -0.167 4.183 4.350 -0.000 0.000 0.270 198 T C 1.488 176.283 174.700 0.159 0.000 1.068 198 T CA 1.363 63.523 62.100 0.101 0.000 1.131 198 T CB -0.310 68.658 68.868 0.167 0.000 0.871 198 T HN 0.467 nan 8.240 nan 0.000 0.479 199 F N -0.909 118.981 119.950 -0.101 0.000 3.031 199 F HA 0.528 5.055 4.527 -0.000 0.000 0.365 199 F C -0.117 175.572 175.800 -0.185 0.000 1.128 199 F CA -1.201 56.730 58.000 -0.116 0.000 1.068 199 F CB 0.343 39.293 39.000 -0.082 0.000 1.280 199 F HN 0.015 nan 8.300 nan 0.000 0.529 200 Q N 3.850 123.157 119.800 -0.821 0.000 2.342 200 Q HA 0.470 4.810 4.340 -0.000 0.000 0.267 200 Q C -2.667 172.802 176.000 -0.885 0.000 1.038 200 Q CA -2.346 52.964 55.803 -0.821 0.000 0.832 200 Q CB 2.526 30.684 28.738 -0.966 0.000 1.323 200 Q HN -0.029 nan 8.270 nan 0.000 0.448 201 P HA 0.027 nan 4.420 nan 0.000 0.274 201 P C -0.971 176.138 177.300 -0.319 0.000 1.256 201 P CA -0.232 62.533 63.100 -0.558 0.000 0.795 201 P CB 0.855 32.276 31.700 -0.466 0.000 1.038 202 E N 1.346 121.419 120.200 -0.212 0.000 2.174 202 E HA 0.176 4.526 4.350 -0.000 0.000 0.282 202 E C -1.718 174.871 176.600 -0.018 0.000 0.992 202 E CA -1.791 54.573 56.400 -0.059 0.000 0.803 202 E CB 0.586 30.295 29.700 0.014 0.000 1.090 202 E HN 0.308 nan 8.360 nan 0.000 0.396 203 P HA -0.277 nan 4.420 nan 0.000 0.217 203 P C 0.860 178.185 177.300 0.041 0.000 1.148 203 P CA 1.507 64.621 63.100 0.024 0.000 0.834 203 P CB 0.164 31.881 31.700 0.028 0.000 0.783 204 Q N -1.008 118.818 119.800 0.043 0.000 2.224 204 Q HA -0.018 4.322 4.340 -0.000 0.000 0.203 204 Q C 0.724 176.759 176.000 0.059 0.000 0.970 204 Q CA 0.677 56.510 55.803 0.051 0.000 0.865 204 Q CB -0.532 28.235 28.738 0.049 0.000 0.922 204 Q HN 0.287 nan 8.270 nan 0.000 0.445 205 I N 0.822 121.434 120.570 0.070 0.000 2.428 205 I HA 0.535 4.705 4.170 -0.000 0.000 0.296 205 I C 0.363 176.554 176.117 0.124 0.000 0.985 205 I CA -0.560 60.802 61.300 0.103 0.000 1.260 205 I CB 1.611 39.696 38.000 0.141 0.000 1.389 205 I HN 0.125 nan 8.210 nan 0.000 0.484 206 G N 3.929 112.785 108.800 0.093 0.000 2.663 206 G HA2 0.337 4.297 3.960 -0.000 0.000 0.299 206 G HA3 0.337 4.297 3.960 -0.000 0.000 0.299 206 G C -1.346 173.558 174.900 0.006 0.000 1.372 206 G CA -0.653 44.481 45.100 0.056 0.000 0.781 206 G HN 0.507 nan 8.290 nan 0.000 0.491 207 E N 0.013 120.195 120.200 -0.032 0.000 2.415 207 E HA 0.172 4.522 4.350 -0.000 0.000 0.262 207 E C 0.665 177.230 176.600 -0.059 0.000 1.038 207 E CA 0.135 56.493 56.400 -0.070 0.000 0.921 207 E CB 1.290 30.934 29.700 -0.094 0.000 0.950 207 E HN 0.290 nan 8.360 nan 0.000 0.438 208 S N 1.728 117.382 115.700 -0.078 0.000 2.406 208 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 208 S C 0.358 174.900 174.600 -0.096 0.000 1.030 208 S CA 0.500 58.663 58.200 -0.062 0.000 0.958 208 S CB 0.151 63.322 63.200 -0.049 0.000 0.811 208 S HN 0.418 nan 8.310 nan 0.000 0.489 209 Q N 1.380 121.045 119.800 -0.226 0.000 2.317 209 Q HA 0.174 4.514 4.340 -0.000 0.000 0.229 209 Q C 0.963 176.740 176.000 -0.371 0.000 0.984 209 Q CA -0.486 55.071 55.803 -0.411 0.000 0.911 209 Q CB 0.028 28.223 28.738 -0.906 0.000 1.217 209 Q HN 0.565 nan 8.270 nan 0.000 0.501 210 W N 0.343 121.451 121.300 -0.321 0.000 2.576 210 W HA 0.063 4.723 4.660 -0.000 0.000 0.270 210 W C -0.279 176.175 176.519 -0.110 0.000 1.255 210 W CA -0.325 56.928 57.345 -0.152 0.000 1.314 210 W CB -0.563 28.874 29.460 -0.038 0.000 1.101 210 W HN 0.636 nan 8.180 nan 0.000 0.595 211 Y N 1.560 121.366 120.300 -0.822 0.000 2.304 211 Y HA 0.507 5.057 4.550 -0.000 0.000 0.327 211 Y C 0.173 175.891 175.900 -0.304 0.000 1.209 211 Y CA -2.175 55.524 58.100 -0.668 0.000 1.299 211 Y CB 0.030 37.812 38.460 -1.131 0.000 1.249 211 Y HN -0.084 nan 8.280 nan 0.000 0.519 212 E N 1.495 121.729 120.200 0.055 0.000 2.351 212 E HA 0.026 4.376 4.350 -0.000 0.000 0.266 212 E C -0.003 176.649 176.600 0.086 0.000 1.031 212 E CA 0.168 56.592 56.400 0.038 0.000 0.911 212 E CB 0.797 30.518 29.700 0.034 0.000 0.986 212 E HN 0.836 nan 8.360 nan 0.000 0.446 213 T N 3.189 117.775 114.554 0.053 0.000 3.069 213 T HA -0.009 4.341 4.350 -0.000 0.000 0.252 213 T C -0.620 174.088 174.700 0.013 0.000 1.053 213 T CA -0.026 62.111 62.100 0.063 0.000 0.964 213 T CB 0.014 68.916 68.868 0.056 0.000 1.005 213 T HN 0.607 nan 8.240 nan 0.000 0.532 214 E N 1.152 121.353 120.200 0.000 0.000 5.234 214 E HA -0.123 4.227 4.350 -0.000 0.000 0.170 214 E C -0.877 175.716 176.600 -0.013 0.000 1.556 214 E CA -0.053 56.342 56.400 -0.008 0.000 1.185 214 E CB -1.092 28.602 29.700 -0.009 0.000 1.023 214 E HN 0.519 nan 8.360 nan 0.000 0.337 215 I N 3.024 123.583 120.570 -0.019 0.000 2.416 215 I HA 0.049 4.219 4.170 -0.000 0.000 0.288 215 I C 1.538 177.639 176.117 -0.026 0.000 1.051 215 I CA -0.266 61.023 61.300 -0.018 0.000 1.375 215 I CB 0.593 38.576 38.000 -0.027 0.000 1.407 215 I HN 0.415 nan 8.210 nan 0.000 0.516 216 N N 3.507 122.194 118.700 -0.020 0.000 2.402 216 N HA 0.008 4.748 4.740 -0.000 0.000 0.174 216 N C -0.130 175.163 175.510 -0.363 0.000 1.027 216 N CA 0.768 53.723 53.050 -0.158 0.000 0.891 216 N CB 0.247 38.652 38.487 -0.138 0.000 1.016 216 N HN 0.566 nan 8.380 nan 0.000 0.439 217 H N -0.086 118.996 119.070 0.020 0.000 2.736 217 H HA 0.586 5.142 4.556 -0.000 0.000 0.271 217 H C -0.577 174.782 175.328 0.050 0.000 1.184 217 H CA -0.524 55.555 56.048 0.051 0.000 1.378 217 H CB 1.062 30.856 29.762 0.054 0.000 1.428 217 H HN 0.077 nan 8.280 nan 0.000 0.500 218 A N 2.133 125.028 122.820 0.125 0.000 2.311 218 A HA 0.937 5.257 4.320 -0.000 0.000 0.334 218 A C -0.423 177.269 177.584 0.180 0.000 1.139 218 A CA -0.223 51.885 52.037 0.118 0.000 0.830 218 A CB 0.925 19.962 19.000 0.061 0.000 1.234 218 A HN 0.701 nan 8.150 nan 0.000 0.483 219 A N -0.250 122.699 122.820 0.216 0.000 2.527 219 A HA 0.992 5.312 4.320 -0.000 0.000 0.293 219 A C -0.090 177.605 177.584 0.185 0.000 1.117 219 A CA -0.116 52.067 52.037 0.243 0.000 0.723 219 A CB 1.633 20.817 19.000 0.306 0.000 1.313 219 A HN 2.430 nan 8.150 nan 0.000 0.411 220 G N -0.246 108.657 108.800 0.171 0.000 2.495 220 G HA2 0.580 4.540 3.960 -0.000 0.000 0.294 220 G HA3 0.580 4.540 3.960 -0.000 0.000 0.294 220 G C -1.683 173.289 174.900 0.121 0.000 1.397 220 G CA -0.888 44.273 45.100 0.103 0.000 0.790 220 G HN 0.740 nan 8.290 nan 0.000 0.486 221 R N -1.086 119.456 120.500 0.070 0.000 2.711 221 R HA 0.807 5.147 4.340 -0.000 0.000 0.284 221 R C -1.158 175.183 176.300 0.068 0.000 0.968 221 R CA -0.848 55.301 56.100 0.082 0.000 0.924 221 R CB 2.516 32.838 30.300 0.037 0.000 1.162 221 R HN 0.508 nan 8.270 nan 0.000 0.465 222 V N 3.208 123.170 119.914 0.080 0.000 3.159 222 V HA 0.506 4.626 4.120 -0.000 0.000 0.308 222 V C -1.442 174.697 176.094 0.075 0.000 1.190 222 V CA -0.979 61.364 62.300 0.071 0.000 1.037 222 V CB 2.550 34.414 31.823 0.068 0.000 1.060 222 V HN 0.566 nan 8.190 nan 0.000 0.437 223 L N 4.121 125.393 121.223 0.082 0.000 2.282 223 L HA 0.536 4.876 4.340 -0.000 0.000 0.288 223 L C 0.297 177.220 176.870 0.088 0.000 1.033 223 L CA -0.591 54.295 54.840 0.077 0.000 0.807 223 L CB 1.395 43.500 42.059 0.077 0.000 1.209 223 L HN 0.602 nan 8.230 nan 0.000 0.423 224 K N 1.975 122.417 120.400 0.070 0.000 2.336 224 K HA -0.020 4.300 4.320 -0.000 0.000 0.262 224 K C 1.031 177.682 176.600 0.085 0.000 0.992 224 K CA -0.105 56.224 56.287 0.068 0.000 0.927 224 K CB 0.670 33.198 32.500 0.048 0.000 0.956 224 K HN 0.545 nan 8.250 nan 0.000 0.495 225 K N -0.240 120.215 120.400 0.091 0.000 2.442 225 K HA -0.110 4.210 4.320 -0.000 0.000 0.198 225 K C 1.137 177.791 176.600 0.090 0.000 1.044 225 K CA 1.674 58.031 56.287 0.116 0.000 0.948 225 K CB -0.221 32.347 32.500 0.115 0.000 0.762 225 K HN 0.618 nan 8.250 nan 0.000 0.472 226 T N -1.877 112.716 114.554 0.065 0.000 3.085 226 T HA -0.009 4.341 4.350 -0.000 0.000 0.263 226 T C 0.666 175.393 174.700 0.044 0.000 1.127 226 T CA 0.192 62.322 62.100 0.049 0.000 1.103 226 T CB -0.122 68.767 68.868 0.036 0.000 0.921 226 T HN 0.043 nan 8.240 nan 0.000 0.510 227 T N 5.159 119.743 114.554 0.051 0.000 2.744 227 T HA 0.391 4.741 4.350 -0.000 0.000 0.291 227 T C -2.539 172.191 174.700 0.049 0.000 0.957 227 T CA -1.371 60.754 62.100 0.041 0.000 1.002 227 T CB 1.358 70.249 68.868 0.038 0.000 0.919 227 T HN 0.194 nan 8.240 nan 0.000 0.468 228 P HA 0.053 nan 4.420 nan 0.000 0.266 228 P C -0.314 177.008 177.300 0.036 0.000 1.195 228 P CA -0.265 62.855 63.100 0.034 0.000 0.768 228 P CB 0.614 32.327 31.700 0.022 0.000 0.838 229 M N 3.149 122.768 119.600 0.032 0.000 2.217 229 M HA 0.133 4.613 4.480 -0.000 0.000 0.354 229 M C 0.210 176.519 176.300 0.015 0.000 1.225 229 M CA 0.629 55.945 55.300 0.028 0.000 1.137 229 M CB 0.275 32.875 32.600 -0.001 0.000 1.576 229 M HN 0.193 nan 8.290 nan 0.000 0.461 230 K N 4.509 124.927 120.400 0.030 0.000 2.523 230 K HA 0.527 4.847 4.320 -0.000 0.000 0.257 230 K C -2.750 173.882 176.600 0.053 0.000 0.932 230 K CA -1.802 54.506 56.287 0.034 0.000 0.812 230 K CB 1.696 34.220 32.500 0.039 0.000 1.326 230 K HN 0.298 nan 8.250 nan 0.000 0.433 231 P HA 0.028 nan 4.420 nan 0.000 0.268 231 P C 0.922 178.295 177.300 0.121 0.000 1.208 231 P CA -0.157 62.998 63.100 0.091 0.000 0.777 231 P CB 0.599 32.360 31.700 0.102 0.000 0.875 232 C N 3.335 122.716 119.300 0.136 0.000 2.413 232 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 232 C C 1.381 176.476 174.990 0.175 0.000 1.236 232 C CA 0.445 59.548 59.018 0.141 0.000 1.735 232 C CB -1.579 26.246 27.740 0.141 0.000 2.031 232 C HN 0.524 nan 8.230 nan 0.000 0.474 233 Y N 1.208 121.552 120.300 0.073 0.000 2.745 233 Y HA 0.367 4.917 4.550 -0.000 0.000 0.335 233 Y C 1.220 177.180 175.900 0.100 0.000 1.212 233 Y CA 1.298 59.446 58.100 0.080 0.000 1.535 233 Y CB -0.057 38.433 38.460 0.050 0.000 1.220 233 Y HN 0.661 nan 8.280 nan 0.000 0.531 234 G N 3.018 111.691 108.800 -0.211 0.000 2.195 234 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.246 234 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.246 234 G C 0.235 175.195 174.900 0.100 0.000 0.984 234 G CA 0.142 45.210 45.100 -0.054 0.000 0.633 234 G HN 0.716 nan 8.290 nan 0.000 0.525 235 S N 0.225 115.975 115.700 0.084 0.000 2.531 235 S HA 0.558 5.028 4.470 -0.000 0.000 0.279 235 S C -0.479 174.108 174.600 -0.022 0.000 1.305 235 S CA 0.066 58.292 58.200 0.043 0.000 1.058 235 S CB 1.002 64.231 63.200 0.048 0.000 0.899 235 S HN 0.751 nan 8.310 nan 0.000 0.493 236 Y N 1.413 121.544 120.300 -0.282 0.000 2.534 236 Y HA 0.626 5.176 4.550 -0.000 0.000 0.345 236 Y C -1.099 174.654 175.900 -0.245 0.000 1.031 236 Y CA -0.995 56.827 58.100 -0.464 0.000 1.022 236 Y CB 1.403 39.262 38.460 -1.002 0.000 1.292 236 Y HN 0.667 nan 8.280 nan 0.000 0.459 237 A N 5.696 127.811 122.820 -1.174 0.000 2.485 237 A HA 0.479 4.799 4.320 -0.000 0.000 0.285 237 A C -1.457 175.552 177.584 -0.958 0.000 1.045 237 A CA -1.000 50.534 52.037 -0.839 0.000 0.792 237 A CB 0.677 19.457 19.000 -0.367 0.000 1.307 237 A HN 0.803 nan 8.150 nan 0.000 0.406 238 K N 3.310 123.248 120.400 -0.770 0.000 2.485 238 K HA 0.357 4.677 4.320 -0.000 0.000 0.277 238 K C -2.360 174.125 176.600 -0.191 0.000 0.990 238 K CA -0.636 55.441 56.287 -0.349 0.000 0.994 238 K CB 0.322 32.771 32.500 -0.084 0.000 0.906 238 K HN 0.355 nan 8.250 nan 0.000 0.488 239 P HA 0.014 nan 4.420 nan 0.000 0.278 239 P C -0.115 177.164 177.300 -0.036 0.000 1.238 239 P CA -0.414 62.652 63.100 -0.057 0.000 0.794 239 P CB 1.315 33.000 31.700 -0.026 0.000 0.955 240 T N -1.758 112.779 114.554 -0.029 0.000 3.092 240 T HA 0.196 4.546 4.350 -0.000 0.000 0.258 240 T C 0.227 174.918 174.700 -0.013 0.000 1.031 240 T CA -0.312 61.778 62.100 -0.017 0.000 0.925 240 T CB -0.752 68.110 68.868 -0.011 0.000 1.036 240 T HN 0.595 nan 8.240 nan 0.000 0.544 241 N N -0.691 117.994 118.700 -0.024 0.000 2.484 241 N HA 0.234 4.974 4.740 -0.000 0.000 0.269 241 N C 0.170 175.633 175.510 -0.078 0.000 1.237 241 N CA -0.993 52.032 53.050 -0.042 0.000 0.838 241 N CB 1.271 39.740 38.487 -0.030 0.000 1.593 241 N HN -0.007 nan 8.380 nan 0.000 0.485 242 E N -0.167 119.975 120.200 -0.096 0.000 2.396 242 E HA -0.171 4.179 4.350 -0.000 0.000 0.200 242 E C -0.054 176.433 176.600 -0.187 0.000 1.023 242 E CA 0.957 57.289 56.400 -0.114 0.000 0.857 242 E CB -0.097 29.541 29.700 -0.103 0.000 0.775 242 E HN 0.488 nan 8.360 nan 0.000 0.525 243 N N -0.607 117.915 118.700 -0.297 0.000 2.270 243 N HA 0.039 4.779 4.740 -0.000 0.000 0.198 243 N C 0.850 176.205 175.510 -0.259 0.000 1.117 243 N CA 0.831 53.581 53.050 -0.500 0.000 0.845 243 N CB 1.257 38.940 38.487 -1.340 0.000 0.980 243 N HN 0.320 nan 8.380 nan 0.000 0.486 244 G N -0.030 108.698 108.800 -0.120 0.000 2.175 244 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 244 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 244 G C 0.502 175.405 174.900 0.006 0.000 0.982 244 G CA -0.080 44.999 45.100 -0.035 0.000 0.641 244 G HN 0.556 nan 8.290 nan 0.000 0.527 245 G N -0.074 108.745 108.800 0.031 0.000 2.544 245 G HA2 0.528 4.488 3.960 -0.000 0.000 0.242 245 G HA3 0.528 4.488 3.960 -0.000 0.000 0.242 245 G C 0.602 175.505 174.900 0.004 0.000 1.247 245 G CA 0.520 45.653 45.100 0.056 0.000 0.840 245 G HN 1.156 nan 8.290 nan 0.000 0.578 246 Q N 1.390 121.185 119.800 -0.009 0.000 2.233 246 Q HA 0.312 4.652 4.340 -0.000 0.000 0.340 246 Q C 1.200 177.183 176.000 -0.027 0.000 0.899 246 Q CA -0.060 55.717 55.803 -0.043 0.000 1.139 246 Q CB 0.699 29.384 28.738 -0.088 0.000 1.273 246 Q HN 0.560 nan 8.270 nan 0.000 0.431 247 G N 1.054 109.853 108.800 -0.002 0.000 2.418 247 G HA2 0.008 3.968 3.960 -0.000 0.000 0.217 247 G HA3 0.008 3.968 3.960 -0.000 0.000 0.217 247 G C 0.938 175.839 174.900 0.001 0.000 1.158 247 G CA 1.521 46.625 45.100 0.007 0.000 0.771 247 G HN 0.513 nan 8.290 nan 0.000 0.545 248 I N -3.644 116.924 120.570 -0.004 0.000 1.251 248 I HA -0.008 4.162 4.170 -0.000 0.000 0.295 248 I C -0.619 175.497 176.117 -0.002 0.000 0.524 248 I CA -0.305 60.993 61.300 -0.004 0.000 3.160 248 I CB -0.119 37.883 38.000 0.003 0.000 1.706 248 I HN 0.017 nan 8.210 nan 0.000 0.523 249 L N 1.125 122.349 121.223 0.003 0.000 3.065 249 L HA 0.006 4.346 4.340 -0.000 0.000 0.429 249 L C -0.890 175.982 176.870 0.004 0.000 0.956 249 L CA -0.403 54.439 54.840 0.003 0.000 1.409 249 L CB -0.920 41.140 42.059 0.001 0.000 1.708 249 L HN 0.170 nan 8.230 nan 0.000 0.428 250 V N 0.933 120.850 119.914 0.005 0.000 2.668 250 V HA 0.811 4.931 4.120 -0.000 0.000 0.304 250 V C -0.046 176.051 176.094 0.006 0.000 1.071 250 V CA 0.089 62.392 62.300 0.005 0.000 0.894 250 V CB 1.807 33.633 31.823 0.004 0.000 1.008 250 V HN 0.394 nan 8.190 nan 0.000 0.425 251 K N 3.582 123.985 120.400 0.005 0.000 2.972 251 K HA -0.195 4.125 4.320 -0.000 0.000 0.853 251 K C 0.685 177.289 176.600 0.006 0.000 2.102 251 K CA 0.697 56.986 56.287 0.005 0.000 1.382 251 K CB -0.721 31.782 32.500 0.005 0.000 2.605 251 K HN 0.938 nan 8.250 nan 0.000 0.218 252 Q N 0.932 120.735 119.800 0.005 0.000 2.331 252 Q HA 0.067 4.407 4.340 -0.000 0.000 0.203 252 Q C 0.234 176.236 176.000 0.003 0.000 0.944 252 Q CA 0.900 56.706 55.803 0.004 0.000 0.892 252 Q CB 0.479 29.218 28.738 0.003 0.000 0.983 252 Q HN 0.395 nan 8.270 nan 0.000 0.482 253 Q N -1.225 118.577 119.800 0.003 0.000 2.756 253 Q HA 0.190 4.530 4.340 -0.000 0.000 0.295 253 Q C -0.870 175.132 176.000 0.003 0.000 0.903 253 Q CA -0.719 55.086 55.803 0.002 0.000 0.768 253 Q CB 1.011 29.750 28.738 0.002 0.000 1.472 253 Q HN 0.052 nan 8.270 nan 0.000 0.416 254 N N -0.323 118.379 118.700 0.002 0.000 1.366 254 N HA -0.263 4.477 4.740 -0.000 0.000 0.141 254 N C 0.237 175.749 175.510 0.003 0.000 0.460 254 N CA 2.047 55.098 53.050 0.002 0.000 1.090 254 N CB -1.521 36.967 38.487 0.002 0.000 1.396 254 N HN 0.762 nan 8.380 nan 0.000 0.443 255 G N 1.514 110.315 108.800 0.003 0.000 2.415 255 G HA2 0.491 4.451 3.960 -0.000 0.000 0.269 255 G HA3 0.491 4.451 3.960 -0.000 0.000 0.269 255 G C -0.102 174.800 174.900 0.004 0.000 1.209 255 G CA 0.141 45.243 45.100 0.003 0.000 0.835 255 G HN 0.736 nan 8.290 nan 0.000 0.534 256 K N 2.407 122.809 120.400 0.005 0.000 2.568 256 K HA 0.302 4.622 4.320 -0.000 0.000 0.273 256 K C -0.566 176.038 176.600 0.006 0.000 0.951 256 K CA -0.818 55.472 56.287 0.006 0.000 0.854 256 K CB 0.875 33.379 32.500 0.005 0.000 1.424 256 K HN 0.336 nan 8.250 nan 0.000 0.427 257 L N 0.896 122.124 121.223 0.007 0.000 2.240 257 L HA 0.036 4.376 4.340 -0.000 0.000 0.166 257 L C 1.482 178.358 176.870 0.010 0.000 0.893 257 L CA 0.130 54.975 54.840 0.009 0.000 1.058 257 L CB -0.267 41.799 42.059 0.012 0.000 1.371 257 L HN 0.662 nan 8.230 nan 0.000 0.480 258 E N -0.582 119.626 120.200 0.013 0.000 2.683 258 E HA -0.026 4.324 4.350 -0.000 0.000 0.266 258 E C 0.689 177.298 176.600 0.015 0.000 1.434 258 E CA 0.282 56.693 56.400 0.017 0.000 1.137 258 E CB 0.361 30.075 29.700 0.022 0.000 0.992 258 E HN 0.572 nan 8.360 nan 0.000 0.607 259 S N -0.714 114.997 115.700 0.019 0.000 2.836 259 S HA 0.182 4.652 4.470 -0.000 0.000 0.164 259 S C 0.422 175.032 174.600 0.016 0.000 0.714 259 S CA -0.458 57.751 58.200 0.016 0.000 0.906 259 S CB 0.405 63.615 63.200 0.017 0.000 0.702 259 S HN 0.471 nan 8.310 nan 0.000 0.571 260 Q N -0.963 118.850 119.800 0.021 0.000 2.397 260 Q HA 0.570 4.910 4.340 -0.000 0.000 0.384 260 Q C -1.549 174.468 176.000 0.029 0.000 0.574 260 Q CA -0.360 55.455 55.803 0.020 0.000 1.025 260 Q CB 0.905 29.651 28.738 0.013 0.000 0.985 260 Q HN 0.645 nan 8.270 nan 0.000 0.456 261 V N 0.202 120.129 119.914 0.023 0.000 2.115 261 V HA -0.023 4.097 4.120 -0.000 0.000 0.344 261 V C -1.882 174.211 176.094 -0.001 0.000 1.564 261 V CA -0.628 61.690 62.300 0.031 0.000 0.889 261 V CB 0.636 32.502 31.823 0.072 0.000 1.226 261 V HN 0.751 nan 8.190 nan 0.000 0.228 262 E N 1.993 122.175 120.200 -0.030 0.000 2.313 262 E HA 0.533 4.883 4.350 -0.000 0.000 0.280 262 E C -0.972 175.508 176.600 -0.199 0.000 0.898 262 E CA -0.763 55.583 56.400 -0.091 0.000 0.803 262 E CB 1.994 31.658 29.700 -0.060 0.000 1.286 262 E HN 0.647 nan 8.360 nan 0.000 0.401 263 M N 2.161 121.554 119.600 -0.344 0.000 2.245 263 M HA 0.109 4.589 4.480 -0.000 0.000 0.344 263 M C -0.107 175.863 176.300 -0.550 0.000 1.170 263 M CA 0.852 55.769 55.300 -0.640 0.000 1.135 263 M CB 0.426 32.505 32.600 -0.870 0.000 1.574 263 M HN 0.328 nan 8.290 nan 0.000 0.452 264 Q N 3.062 122.494 119.800 -0.615 0.000 2.490 264 Q HA 0.375 4.715 4.340 -0.000 0.000 0.255 264 Q C -1.502 173.930 176.000 -0.948 0.000 0.997 264 Q CA -0.320 55.124 55.803 -0.598 0.000 0.709 264 Q CB 1.103 29.688 28.738 -0.255 0.000 1.255 264 Q HN 0.482 nan 8.270 nan 0.000 0.486 265 F N 1.668 121.228 119.950 -0.651 0.000 2.459 265 F HA 0.376 4.903 4.527 -0.000 0.000 0.346 265 F C 0.167 175.447 175.800 -0.866 0.000 1.128 265 F CA 0.240 57.934 58.000 -0.510 0.000 1.268 265 F CB 0.428 39.264 39.000 -0.274 0.000 1.161 265 F HN 0.313 nan 8.300 nan 0.000 0.583 266 F N -0.080 119.950 119.950 0.134 0.000 2.613 266 F HA 0.512 5.039 4.527 -0.000 0.000 0.310 266 F C 0.009 175.837 175.800 0.048 0.000 1.085 266 F CA -0.912 57.123 58.000 0.058 0.000 0.945 266 F CB 1.919 40.927 39.000 0.014 0.000 1.298 266 F HN 0.469 nan 8.300 nan 0.000 0.455 267 S N -0.546 115.278 115.700 0.206 0.000 2.776 267 S HA 0.608 5.078 4.470 -0.000 0.000 0.306 267 S C -0.008 174.643 174.600 0.085 0.000 1.114 267 S CA -0.342 57.922 58.200 0.108 0.000 0.973 267 S CB 1.602 64.838 63.200 0.059 0.000 1.250 267 S HN 0.556 nan 8.310 nan 0.000 0.549 268 T N 0.773 115.354 114.554 0.045 0.000 3.084 268 T HA 0.328 4.678 4.350 -0.000 0.000 0.270 268 T C -0.369 174.344 174.700 0.021 0.000 1.008 268 T CA 0.364 62.480 62.100 0.028 0.000 0.900 268 T CB -0.279 68.596 68.868 0.012 0.000 1.084 268 T HN 0.884 nan 8.240 nan 0.000 0.538 269 T N 2.586 117.155 114.554 0.024 0.000 4.385 269 T HA -0.142 4.208 4.350 -0.000 0.000 0.330 269 T C -0.163 174.542 174.700 0.009 0.000 0.771 269 T CA 0.417 62.527 62.100 0.016 0.000 1.973 269 T CB -1.589 67.288 68.868 0.016 0.000 1.908 269 T HN 0.549 nan 8.240 nan 0.000 0.933 270 E N 1.498 121.702 120.200 0.007 0.000 2.129 270 E HA 0.514 4.864 4.350 -0.000 0.000 0.283 270 E C 0.590 177.190 176.600 0.000 0.000 1.080 270 E CA 0.267 56.668 56.400 0.002 0.000 0.867 270 E CB 0.853 30.553 29.700 -0.000 0.000 1.056 270 E HN 0.837 nan 8.360 nan 0.000 0.404 271 A N 2.759 125.579 122.820 -0.000 0.000 2.434 271 A HA -0.159 4.161 4.320 -0.000 0.000 0.686 271 A C 0.967 178.549 177.584 -0.002 0.000 0.138 271 A CA 0.584 52.619 52.037 -0.002 0.000 0.027 271 A CB -1.589 17.409 19.000 -0.004 0.000 3.972 271 A HN 0.859 nan 8.150 nan 0.000 0.548 272 T N 1.139 115.691 114.554 -0.003 0.000 2.814 272 T HA 0.634 4.984 4.350 -0.000 0.000 0.254 272 T C 1.483 176.179 174.700 -0.006 0.000 1.037 272 T CA 2.097 64.195 62.100 -0.003 0.000 1.143 272 T CB -0.219 68.647 68.868 -0.002 0.000 0.866 272 T HN 2.611 nan 8.240 nan 0.000 0.431 273 A N 1.370 124.186 122.820 -0.006 0.000 2.454 273 A HA 0.545 4.865 4.320 -0.000 0.000 0.260 273 A C 0.866 178.444 177.584 -0.010 0.000 1.106 273 A CA 0.028 52.060 52.037 -0.008 0.000 0.780 273 A CB -0.185 18.811 19.000 -0.007 0.000 1.044 273 A HN 0.676 nan 8.150 nan 0.000 0.498 274 G N 2.665 111.457 108.800 -0.013 0.000 2.696 274 G HA2 0.389 4.349 3.960 -0.000 0.000 0.329 274 G HA3 0.389 4.349 3.960 -0.000 0.000 0.329 274 G C 0.254 175.144 174.900 -0.016 0.000 0.973 274 G CA -0.541 44.550 45.100 -0.016 0.000 1.257 274 G HN 0.781 nan 8.290 nan 0.000 0.456 275 N N 2.387 121.079 118.700 -0.014 0.000 2.518 275 N HA 0.057 4.797 4.740 -0.000 0.000 0.230 275 N C 1.691 177.193 175.510 -0.014 0.000 1.022 275 N CA 0.692 53.734 53.050 -0.013 0.000 1.172 275 N CB 0.293 38.774 38.487 -0.010 0.000 1.498 275 N HN 0.396 nan 8.380 nan 0.000 0.602 276 G N 1.168 109.961 108.800 -0.012 0.000 3.228 276 G HA2 0.054 4.014 3.960 -0.000 0.000 0.245 276 G HA3 0.054 4.014 3.960 -0.000 0.000 0.245 276 G C -0.293 174.601 174.900 -0.011 0.000 1.051 276 G CA -0.165 44.928 45.100 -0.012 0.000 0.809 276 G HN 0.388 nan 8.290 nan 0.000 0.531 277 D N 0.865 121.259 120.400 -0.011 0.000 2.368 277 D HA 0.020 4.660 4.640 -0.000 0.000 0.240 277 D C -0.375 175.917 176.300 -0.013 0.000 1.169 277 D CA -0.466 53.528 54.000 -0.010 0.000 0.906 277 D CB 0.587 41.382 40.800 -0.009 0.000 1.187 277 D HN -0.015 nan 8.370 nan 0.000 0.435 278 N N 1.887 120.581 118.700 -0.009 0.000 2.521 278 N HA 0.074 4.814 4.740 -0.000 0.000 0.236 278 N C 0.658 176.160 175.510 -0.013 0.000 1.067 278 N CA -0.404 52.640 53.050 -0.010 0.000 0.939 278 N CB 1.147 39.635 38.487 0.001 0.000 1.201 278 N HN 0.427 nan 8.380 nan 0.000 0.511 279 L N 0.952 122.160 121.223 -0.024 0.000 2.814 279 L HA -0.086 4.254 4.340 -0.000 0.000 0.248 279 L C 0.607 177.464 176.870 -0.022 0.000 1.169 279 L CA 0.548 55.372 54.840 -0.027 0.000 0.872 279 L CB -1.314 40.718 42.059 -0.044 0.000 1.029 279 L HN 0.506 nan 8.230 nan 0.000 0.452 280 T N -0.250 114.297 114.554 -0.011 0.000 2.657 280 T HA -0.046 4.304 4.350 -0.000 0.000 0.245 280 T C -1.872 172.840 174.700 0.021 0.000 1.021 280 T CA -1.092 61.015 62.100 0.012 0.000 1.155 280 T CB -0.374 68.516 68.868 0.036 0.000 1.022 280 T HN 0.184 nan 8.240 nan 0.000 0.477 281 P HA 0.246 nan 4.420 nan 0.000 0.272 281 P C 0.226 177.562 177.300 0.061 0.000 1.240 281 P CA -0.480 62.684 63.100 0.107 0.000 0.791 281 P CB 0.910 32.755 31.700 0.242 0.000 0.978 282 K N -0.674 119.769 120.400 0.072 0.000 2.450 282 K HA 0.306 4.626 4.320 -0.000 0.000 0.206 282 K C -0.613 176.019 176.600 0.054 0.000 1.148 282 K CA 0.118 56.405 56.287 -0.001 0.000 1.014 282 K CB 0.846 33.342 32.500 -0.006 0.000 0.966 282 K HN 0.194 nan 8.250 nan 0.000 0.566 283 V N 1.469 121.468 119.914 0.141 0.000 2.823 283 V HA 0.164 4.284 4.120 -0.000 0.000 0.296 283 V C -1.172 175.055 176.094 0.222 0.000 1.250 283 V CA -0.943 61.454 62.300 0.161 0.000 0.939 283 V CB 2.142 34.032 31.823 0.112 0.000 1.062 283 V HN -0.260 nan 8.190 nan 0.000 0.433 284 V N 6.217 126.231 119.914 0.167 0.000 2.347 284 V HA 0.516 4.636 4.120 -0.000 0.000 0.280 284 V C -0.180 175.968 176.094 0.091 0.000 1.021 284 V CA -0.432 61.885 62.300 0.029 0.000 0.847 284 V CB 1.510 33.303 31.823 -0.050 0.000 0.990 284 V HN 0.630 nan 8.190 nan 0.000 0.444 285 L N 5.256 126.521 121.223 0.071 0.000 2.296 285 L HA 0.487 4.827 4.340 -0.000 0.000 0.286 285 L C -0.965 175.897 176.870 -0.012 0.000 1.023 285 L CA -0.646 54.277 54.840 0.139 0.000 0.812 285 L CB 1.302 43.499 42.059 0.230 0.000 1.223 285 L HN 0.556 nan 8.230 nan 0.000 0.421 286 Y N 1.693 121.975 120.300 -0.031 0.000 2.802 286 Y HA 0.127 4.677 4.550 -0.000 0.000 0.330 286 Y C 1.041 176.929 175.900 -0.021 0.000 1.193 286 Y CA -0.676 57.392 58.100 -0.053 0.000 1.427 286 Y CB 0.387 38.807 38.460 -0.067 0.000 1.357 286 Y HN 0.547 nan 8.280 nan 0.000 0.501 287 S N 2.150 117.885 115.700 0.059 0.000 2.572 287 S HA 0.455 4.925 4.470 -0.000 0.000 0.279 287 S C -0.151 174.482 174.600 0.055 0.000 1.341 287 S CA -0.577 57.658 58.200 0.060 0.000 1.043 287 S CB 1.112 64.338 63.200 0.043 0.000 0.887 287 S HN 0.717 nan 8.310 nan 0.000 0.516 288 E N 0.335 120.567 120.200 0.052 0.000 2.429 288 E HA 0.380 4.730 4.350 -0.000 0.000 0.280 288 E C -2.119 174.501 176.600 0.033 0.000 1.068 288 E CA -1.026 55.399 56.400 0.041 0.000 0.837 288 E CB 0.783 30.509 29.700 0.045 0.000 1.357 288 E HN 0.489 nan 8.360 nan 0.000 0.455 289 D N 1.117 121.531 120.400 0.022 0.000 2.217 289 D HA 0.450 5.090 4.640 -0.000 0.000 0.243 289 D C -0.486 175.815 176.300 0.001 0.000 1.054 289 D CA -0.307 53.702 54.000 0.016 0.000 0.838 289 D CB 2.152 42.960 40.800 0.015 0.000 1.162 289 D HN 0.434 nan 8.370 nan 0.000 0.472 290 V N -0.734 119.174 119.914 -0.010 0.000 2.914 290 V HA 0.409 4.529 4.120 -0.000 0.000 0.314 290 V C 0.100 176.165 176.094 -0.049 0.000 1.084 290 V CA -0.958 61.318 62.300 -0.039 0.000 0.963 290 V CB 2.402 34.190 31.823 -0.058 0.000 1.025 290 V HN 0.326 nan 8.190 nan 0.000 0.432 291 D N 2.854 123.211 120.400 -0.072 0.000 2.671 291 D HA 0.166 4.806 4.640 -0.000 0.000 0.228 291 D C 0.117 176.360 176.300 -0.094 0.000 1.102 291 D CA 0.127 54.089 54.000 -0.065 0.000 1.044 291 D CB 0.111 40.873 40.800 -0.063 0.000 1.113 291 D HN 0.700 nan 8.370 nan 0.000 0.480 292 I N 2.410 122.939 120.570 -0.068 0.000 2.618 292 I HA 0.004 4.174 4.170 -0.000 0.000 0.284 292 I C 0.217 176.318 176.117 -0.027 0.000 1.146 292 I CA 0.219 61.478 61.300 -0.068 0.000 1.425 292 I CB 0.284 38.264 38.000 -0.033 0.000 1.383 292 I HN 0.269 nan 8.210 nan 0.000 0.562 293 E N 3.866 124.058 120.200 -0.013 0.000 2.408 293 E HA 0.462 4.812 4.350 -0.000 0.000 0.275 293 E C -1.306 175.327 176.600 0.056 0.000 0.935 293 E CA -0.922 55.503 56.400 0.042 0.000 0.775 293 E CB 1.735 31.485 29.700 0.083 0.000 1.277 293 E HN 0.456 nan 8.360 nan 0.000 0.455 294 T N -0.992 113.601 114.554 0.064 0.000 3.327 294 T HA 0.315 4.665 4.350 -0.000 0.000 0.373 294 T C -1.791 172.964 174.700 0.091 0.000 1.589 294 T CA -1.425 60.722 62.100 0.079 0.000 1.497 294 T CB 0.822 69.738 68.868 0.080 0.000 1.032 294 T HN 0.331 nan 8.240 nan 0.000 0.640 295 P HA -0.016 nan 4.420 nan 0.000 0.223 295 P C 0.316 177.663 177.300 0.079 0.000 1.151 295 P CA 1.134 64.284 63.100 0.083 0.000 0.787 295 P CB 0.167 31.909 31.700 0.070 0.000 0.788 296 D N -1.326 119.144 120.400 0.117 0.000 2.563 296 D HA 0.070 4.710 4.640 -0.000 0.000 0.237 296 D C 0.204 176.560 176.300 0.093 0.000 1.282 296 D CA -0.247 53.792 54.000 0.065 0.000 0.816 296 D CB -0.320 40.514 40.800 0.057 0.000 1.066 296 D HN 0.142 nan 8.370 nan 0.000 0.501 297 T N -2.673 111.961 114.554 0.132 0.000 2.865 297 T HA 0.624 4.974 4.350 -0.000 0.000 0.294 297 T C -0.590 174.244 174.700 0.223 0.000 1.119 297 T CA -0.863 61.343 62.100 0.178 0.000 1.007 297 T CB 2.495 71.445 68.868 0.138 0.000 1.225 297 T HN 0.307 nan 8.240 nan 0.000 0.515 298 H N -0.472 118.629 119.070 0.052 0.000 2.977 298 H HA 0.543 5.099 4.556 -0.000 0.000 0.350 298 H C -1.157 174.188 175.328 0.029 0.000 1.238 298 H CA -1.437 54.624 56.048 0.022 0.000 1.124 298 H CB 0.755 30.506 29.762 -0.019 0.000 1.866 298 H HN 0.523 nan 8.280 nan 0.000 0.550 299 I N 2.624 123.200 120.570 0.009 0.000 2.452 299 I HA -0.045 4.125 4.170 -0.000 0.000 0.287 299 I C 1.511 177.572 176.117 -0.093 0.000 1.079 299 I CA 0.220 61.489 61.300 -0.052 0.000 1.387 299 I CB 0.984 38.973 38.000 -0.019 0.000 1.404 299 I HN 0.761 nan 8.210 nan 0.000 0.522 300 S N 5.865 121.493 115.700 -0.120 0.000 2.524 300 S HA 0.018 4.488 4.470 -0.000 0.000 0.216 300 S C 0.110 174.754 174.600 0.073 0.000 0.987 300 S CA 0.076 58.229 58.200 -0.079 0.000 0.909 300 S CB -0.036 63.088 63.200 -0.128 0.000 0.781 300 S HN 0.597 nan 8.310 nan 0.000 0.521 301 Y N 1.284 121.539 120.300 -0.075 0.000 2.294 301 Y HA 0.557 5.107 4.550 -0.000 0.000 0.329 301 Y C -1.310 174.562 175.900 -0.047 0.000 1.135 301 Y CA -1.347 56.721 58.100 -0.054 0.000 1.213 301 Y CB 1.018 39.443 38.460 -0.059 0.000 1.141 301 Y HN 0.048 nan 8.280 nan 0.000 0.446 302 M N 9.038 128.318 119.600 -0.533 0.000 2.063 302 M HA 0.333 4.813 4.480 -0.000 0.000 0.348 302 M C -1.981 173.883 176.300 -0.727 0.000 1.180 302 M CA -2.626 52.379 55.300 -0.493 0.000 1.059 302 M CB 1.123 33.578 32.600 -0.242 0.000 1.544 302 M HN 0.455 nan 8.290 nan 0.000 0.447 303 P HA -0.017 nan 4.420 nan 0.000 0.214 303 P C -0.141 177.008 177.300 -0.252 0.000 1.162 303 P CA 1.153 63.957 63.100 -0.493 0.000 0.874 303 P CB 0.359 31.891 31.700 -0.280 0.000 0.784 304 T N -1.269 113.166 114.554 -0.199 0.000 2.907 304 T HA 0.369 4.719 4.350 -0.000 0.000 0.292 304 T C 0.953 175.587 174.700 -0.110 0.000 1.043 304 T CA -0.524 61.499 62.100 -0.128 0.000 1.003 304 T CB 1.630 70.437 68.868 -0.102 0.000 1.084 304 T HN -0.164 nan 8.240 nan 0.000 0.483 305 I N 0.520 121.043 120.570 -0.079 0.000 2.716 305 I HA 0.054 4.224 4.170 -0.000 0.000 0.259 305 I C 0.910 176.998 176.117 -0.048 0.000 1.172 305 I CA 0.585 61.849 61.300 -0.060 0.000 1.478 305 I CB 0.171 38.145 38.000 -0.044 0.000 1.104 305 I HN 0.475 nan 8.210 nan 0.000 0.439 306 K N 2.497 122.870 120.400 -0.046 0.000 2.511 306 K HA -0.040 4.280 4.320 -0.000 0.000 0.280 306 K C -0.001 176.579 176.600 -0.034 0.000 1.008 306 K CA 0.352 56.619 56.287 -0.034 0.000 1.050 306 K CB 0.253 32.733 32.500 -0.032 0.000 0.889 306 K HN 0.224 nan 8.250 nan 0.000 0.484 307 E N 0.677 120.865 120.200 -0.020 0.000 2.371 307 E HA 0.307 4.657 4.350 -0.000 0.000 0.257 307 E C 0.257 176.853 176.600 -0.006 0.000 1.134 307 E CA -0.126 56.266 56.400 -0.014 0.000 0.919 307 E CB 0.819 30.516 29.700 -0.005 0.000 1.025 307 E HN 0.711 nan 8.360 nan 0.000 0.438 308 G N 1.482 110.283 108.800 0.001 0.000 2.719 308 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.686 308 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.686 308 G C -0.815 174.092 174.900 0.012 0.000 1.201 308 G CA -1.007 44.103 45.100 0.017 0.000 0.768 308 G HN 0.451 nan 8.290 nan 0.000 0.629 309 N N 0.520 119.246 118.700 0.043 0.000 2.497 309 N HA 0.573 5.313 4.740 -0.000 0.000 0.268 309 N C 0.579 176.112 175.510 0.039 0.000 1.171 309 N CA 0.713 53.786 53.050 0.039 0.000 0.948 309 N CB 1.447 40.004 38.487 0.117 0.000 1.069 309 N HN 1.276 nan 8.380 nan 0.000 0.460 310 S N 0.474 116.083 115.700 -0.151 0.000 2.638 310 S HA 0.410 4.880 4.470 -0.000 0.000 0.274 310 S C 0.820 174.917 174.600 -0.838 0.000 1.157 310 S CA -0.971 57.043 58.200 -0.310 0.000 0.826 310 S CB 2.391 65.498 63.200 -0.156 0.000 1.139 310 S HN 0.590 nan 8.310 nan 0.000 0.474 311 R N 0.464 120.330 120.500 -1.057 0.000 2.105 311 R HA -0.103 4.237 4.340 -0.000 0.000 0.239 311 R C 1.423 177.362 176.300 -0.601 0.000 1.135 311 R CA 1.779 57.221 56.100 -1.098 0.000 0.967 311 R CB -0.361 29.621 30.300 -0.530 0.000 0.861 311 R HN 0.731 nan 8.270 nan 0.000 0.442 312 E N 0.927 120.898 120.200 -0.382 0.000 2.070 312 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 312 E C 2.009 178.462 176.600 -0.244 0.000 1.004 312 E CA 1.155 57.407 56.400 -0.247 0.000 0.805 312 E CB -0.335 29.261 29.700 -0.174 0.000 0.744 312 E HN 0.445 nan 8.360 nan 0.000 0.451 313 L N 0.289 121.351 121.223 -0.269 0.000 2.450 313 L HA -0.081 4.259 4.340 -0.000 0.000 0.224 313 L C 2.389 179.132 176.870 -0.211 0.000 1.149 313 L CA 0.415 55.127 54.840 -0.214 0.000 0.816 313 L CB -0.293 41.658 42.059 -0.180 0.000 0.932 313 L HN 0.144 nan 8.230 nan 0.000 0.449 314 M N -1.023 118.396 119.600 -0.302 0.000 2.557 314 M HA -0.049 4.431 4.480 -0.000 0.000 0.259 314 M C 1.706 177.901 176.300 -0.175 0.000 1.086 314 M CA 1.059 56.191 55.300 -0.280 0.000 1.096 314 M CB -0.276 32.051 32.600 -0.455 0.000 1.424 314 M HN 0.284 nan 8.290 nan 0.000 0.488 315 G N 0.343 109.068 108.800 -0.124 0.000 3.189 315 G HA2 0.047 4.007 3.960 -0.000 0.000 0.225 315 G HA3 0.047 4.007 3.960 -0.000 0.000 0.225 315 G C 0.330 175.291 174.900 0.102 0.000 1.159 315 G CA -0.397 44.694 45.100 -0.014 0.000 0.763 315 G HN 0.554 nan 8.290 nan 0.000 0.549 316 Q N 0.044 119.856 119.800 0.019 0.000 2.340 316 Q HA 0.479 4.819 4.340 -0.000 0.000 0.249 316 Q C -0.783 175.259 176.000 0.071 0.000 0.957 316 Q CA -0.174 55.652 55.803 0.039 0.000 0.882 316 Q CB 0.938 29.638 28.738 -0.062 0.000 1.235 316 Q HN 0.223 nan 8.270 nan 0.000 0.439 317 Q N 1.015 120.876 119.800 0.103 0.000 2.345 317 Q HA 0.501 4.841 4.340 -0.000 0.000 0.268 317 Q C -1.234 174.763 176.000 -0.004 0.000 1.054 317 Q CA -0.737 55.088 55.803 0.038 0.000 0.835 317 Q CB 2.489 31.241 28.738 0.023 0.000 1.339 317 Q HN 0.716 nan 8.270 nan 0.000 0.447 318 S N 1.665 117.355 115.700 -0.016 0.000 2.537 318 S HA 0.779 5.249 4.470 -0.000 0.000 0.301 318 S C -1.091 173.467 174.600 -0.070 0.000 1.092 318 S CA -0.628 57.578 58.200 0.009 0.000 1.048 318 S CB 0.854 64.173 63.200 0.198 0.000 1.053 318 S HN 0.635 nan 8.310 nan 0.000 0.501 319 M N 5.020 124.544 119.600 -0.128 0.000 2.433 319 M HA 0.536 5.016 4.480 -0.000 0.000 0.290 319 M C -2.773 173.527 176.300 0.001 0.000 1.173 319 M CA -2.137 53.076 55.300 -0.144 0.000 0.905 319 M CB 2.519 34.916 32.600 -0.338 0.000 1.692 319 M HN 0.409 nan 8.290 nan 0.000 0.462 320 P HA 0.082 nan 4.420 nan 0.000 0.271 320 P C -1.216 176.195 177.300 0.184 0.000 1.216 320 P CA -0.064 63.156 63.100 0.200 0.000 0.776 320 P CB 0.330 32.153 31.700 0.204 0.000 0.881 321 N N 2.655 121.454 118.700 0.165 0.000 2.453 321 N HA 0.078 4.818 4.740 -0.000 0.000 0.253 321 N C 0.626 176.109 175.510 -0.044 0.000 1.252 321 N CA 0.034 53.140 53.050 0.093 0.000 0.917 321 N CB 0.177 38.708 38.487 0.074 0.000 1.117 321 N HN 0.295 nan 8.380 nan 0.000 0.442 322 R N 1.820 122.240 120.500 -0.132 0.000 2.570 322 R HA 0.112 4.452 4.340 -0.000 0.000 0.277 322 R C -1.875 174.317 176.300 -0.181 0.000 1.039 322 R CA -0.902 55.073 56.100 -0.208 0.000 1.065 322 R CB -0.074 30.032 30.300 -0.324 0.000 0.964 322 R HN 0.429 nan 8.270 nan 0.000 0.428 323 P HA 0.004 nan 4.420 nan 0.000 0.271 323 P C -0.962 176.174 177.300 -0.273 0.000 1.218 323 P CA -0.110 62.765 63.100 -0.375 0.000 0.780 323 P CB 0.652 32.126 31.700 -0.376 0.000 0.901 324 N N 1.746 120.191 118.700 -0.425 0.000 2.629 324 N HA 0.212 4.952 4.740 -0.000 0.000 0.277 324 N C -1.767 173.578 175.510 -0.274 0.000 1.188 324 N CA -0.409 52.507 53.050 -0.224 0.000 0.835 324 N CB 0.163 38.577 38.487 -0.121 0.000 1.420 324 N HN 0.143 nan 8.380 nan 0.000 0.542 325 Y N 2.751 123.083 120.300 0.054 0.000 2.319 325 Y HA 0.481 5.031 4.550 -0.000 0.000 0.328 325 Y C 0.579 176.586 175.900 0.179 0.000 1.133 325 Y CA -0.106 58.090 58.100 0.161 0.000 1.265 325 Y CB 0.913 39.457 38.460 0.140 0.000 1.218 325 Y HN 0.308 nan 8.280 nan 0.000 0.508 326 I N 2.925 123.736 120.570 0.401 0.000 2.533 326 I HA 0.774 4.944 4.170 -0.000 0.000 0.290 326 I C -0.455 175.620 176.117 -0.070 0.000 1.056 326 I CA -0.691 60.657 61.300 0.081 0.000 1.057 326 I CB 1.747 39.721 38.000 -0.043 0.000 1.240 326 I HN 0.720 nan 8.210 nan 0.000 0.423 327 A N 4.714 127.466 122.820 -0.114 0.000 2.536 327 A HA 0.743 5.063 4.320 -0.000 0.000 0.293 327 A C -1.534 175.944 177.584 -0.177 0.000 1.119 327 A CA -0.552 51.380 52.037 -0.175 0.000 0.654 327 A CB 0.779 19.760 19.000 -0.031 0.000 1.291 327 A HN 0.395 nan 8.150 nan 0.000 0.439 328 F N 1.288 121.219 119.950 -0.033 0.000 2.444 328 F HA 0.474 5.001 4.527 -0.000 0.000 0.331 328 F C 1.546 177.328 175.800 -0.031 0.000 1.167 328 F CA 0.482 58.493 58.000 0.018 0.000 1.262 328 F CB 0.666 39.759 39.000 0.156 0.000 1.196 328 F HN 0.531 nan 8.300 nan 0.000 0.583 329 R N 0.325 120.957 120.500 0.220 0.000 2.649 329 R HA 0.105 4.445 4.340 -0.000 0.000 0.270 329 R C -0.700 175.579 176.300 -0.035 0.000 1.105 329 R CA -0.831 55.319 56.100 0.083 0.000 1.193 329 R CB 0.179 30.546 30.300 0.112 0.000 1.120 329 R HN 0.508 nan 8.270 nan 0.000 0.561 330 D N 0.791 121.170 120.400 -0.034 0.000 2.487 330 D HA -0.082 4.558 4.640 -0.000 0.000 0.243 330 D C -0.316 175.950 176.300 -0.057 0.000 1.154 330 D CA 0.911 54.872 54.000 -0.066 0.000 0.876 330 D CB -0.024 40.765 40.800 -0.018 0.000 1.161 330 D HN 0.599 nan 8.370 nan 0.000 0.478 331 N N 2.762 121.387 118.700 -0.125 0.000 2.714 331 N HA -0.285 4.455 4.740 -0.000 0.000 0.250 331 N C -0.230 175.301 175.510 0.034 0.000 1.117 331 N CA 0.479 53.510 53.050 -0.032 0.000 0.719 331 N CB -1.532 37.032 38.487 0.128 0.000 1.081 331 N HN 0.542 nan 8.380 nan 0.000 0.557 332 F N -1.933 118.060 119.950 0.072 0.000 3.091 332 F HA -0.271 4.256 4.527 -0.000 0.000 0.288 332 F C 0.525 176.373 175.800 0.079 0.000 0.907 332 F CA 0.078 58.111 58.000 0.055 0.000 1.028 332 F CB -1.457 37.545 39.000 0.004 0.000 1.022 332 F HN 0.197 nan 8.300 nan 0.000 0.665 333 I N 0.827 121.514 120.570 0.196 0.000 2.775 333 I HA 0.107 4.277 4.170 -0.000 0.000 0.290 333 I C 1.558 177.787 176.117 0.187 0.000 1.203 333 I CA 1.582 62.986 61.300 0.172 0.000 1.433 333 I CB 0.336 38.407 38.000 0.118 0.000 1.354 333 I HN 0.553 nan 8.210 nan 0.000 0.579 334 G N 4.487 113.387 108.800 0.167 0.000 2.268 334 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.240 334 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.240 334 G C 0.871 175.819 174.900 0.079 0.000 1.010 334 G CA 0.312 45.477 45.100 0.109 0.000 0.618 334 G HN 0.567 nan 8.290 nan 0.000 0.516 335 L N 0.030 121.346 121.223 0.155 0.000 2.046 335 L HA 0.253 4.593 4.340 -0.000 0.000 0.208 335 L C 1.775 178.686 176.870 0.067 0.000 1.077 335 L CA 1.254 56.199 54.840 0.174 0.000 0.747 335 L CB -0.161 42.008 42.059 0.184 0.000 0.896 335 L HN 0.414 nan 8.230 nan 0.000 0.432 336 M N -1.963 117.596 119.600 -0.068 0.000 2.423 336 M HA 0.224 4.704 4.480 -0.000 0.000 0.335 336 M C -1.143 174.951 176.300 -0.343 0.000 1.177 336 M CA -0.506 54.592 55.300 -0.337 0.000 1.038 336 M CB 1.635 33.908 32.600 -0.546 0.000 1.641 336 M HN -0.198 nan 8.290 nan 0.000 0.455 337 Y N 1.638 121.768 120.300 -0.283 0.000 2.335 337 Y HA 0.292 4.842 4.550 -0.000 0.000 0.331 337 Y C -0.921 174.832 175.900 -0.245 0.000 1.094 337 Y CA 0.546 58.534 58.100 -0.187 0.000 1.253 337 Y CB 0.455 38.802 38.460 -0.189 0.000 1.203 337 Y HN 0.392 nan 8.280 nan 0.000 0.508 338 Y N 0.836 121.305 120.300 0.281 0.000 2.562 338 Y HA 0.230 4.780 4.550 -0.000 0.000 0.345 338 Y C -0.052 175.964 175.900 0.194 0.000 1.045 338 Y CA -2.178 56.074 58.100 0.252 0.000 1.028 338 Y CB 1.468 40.100 38.460 0.287 0.000 1.297 338 Y HN 0.642 nan 8.280 nan 0.000 0.463 339 N N 0.148 119.057 118.700 0.348 0.000 2.721 339 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 339 N C -1.003 174.603 175.510 0.160 0.000 1.072 339 N CA 1.137 54.334 53.050 0.245 0.000 0.710 339 N CB -1.297 37.358 38.487 0.280 0.000 0.993 339 N HN 0.401 nan 8.380 nan 0.000 0.547 340 S N -0.585 115.177 115.700 0.103 0.000 2.652 340 S HA 0.237 4.707 4.470 -0.000 0.000 0.252 340 S C 1.396 175.969 174.600 -0.044 0.000 1.219 340 S CA -0.285 57.947 58.200 0.054 0.000 1.151 340 S CB 1.388 64.666 63.200 0.130 0.000 1.080 340 S HN 0.371 nan 8.310 nan 0.000 0.481 341 T N 0.122 114.650 114.554 -0.043 0.000 2.869 341 T HA -0.137 4.213 4.350 -0.000 0.000 0.270 341 T C 1.908 176.538 174.700 -0.116 0.000 1.082 341 T CA 1.561 63.612 62.100 -0.082 0.000 1.123 341 T CB -0.374 68.462 68.868 -0.053 0.000 0.856 341 T HN 0.623 nan 8.240 nan 0.000 0.499 342 G N 1.222 109.955 108.800 -0.112 0.000 2.511 342 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.217 342 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.217 342 G C 0.991 175.755 174.900 -0.226 0.000 1.133 342 G CA 0.009 45.029 45.100 -0.134 0.000 0.792 342 G HN 0.581 nan 8.290 nan 0.000 0.539 343 N N 0.126 118.636 118.700 -0.317 0.000 2.642 343 N HA 0.186 4.926 4.740 -0.000 0.000 0.308 343 N C -0.587 174.639 175.510 -0.472 0.000 1.914 343 N CA -0.203 52.555 53.050 -0.486 0.000 0.893 343 N CB 0.922 38.833 38.487 -0.961 0.000 1.322 343 N HN 0.214 nan 8.380 nan 0.000 0.490 344 M N 0.975 120.337 119.600 -0.397 0.000 2.228 344 M HA 0.216 4.696 4.480 -0.000 0.000 0.351 344 M C 0.925 176.800 176.300 -0.709 0.000 1.233 344 M CA -0.034 54.982 55.300 -0.475 0.000 1.129 344 M CB 0.666 33.066 32.600 -0.332 0.000 1.604 344 M HN 0.217 nan 8.290 nan 0.000 0.457 345 G N 3.033 111.132 108.800 -1.169 0.000 2.667 345 G HA2 0.464 4.424 3.960 -0.000 0.000 0.250 345 G HA3 0.464 4.424 3.960 -0.000 0.000 0.250 345 G C -1.208 173.253 174.900 -0.733 0.000 1.212 345 G CA -0.640 43.401 45.100 -1.765 0.000 0.874 345 G HN 0.642 nan 8.290 nan 0.000 0.561 346 V N 0.925 120.657 119.914 -0.304 0.000 2.623 346 V HA 0.500 4.620 4.120 -0.000 0.000 0.304 346 V C -0.893 175.388 176.094 0.312 0.000 1.054 346 V CA -0.616 61.692 62.300 0.013 0.000 0.882 346 V CB 1.636 33.454 31.823 -0.009 0.000 1.002 346 V HN 0.676 nan 8.190 nan 0.000 0.424 347 L N 4.816 126.194 121.223 0.258 0.000 2.504 347 L HA 0.950 5.290 4.340 -0.000 0.000 0.265 347 L C -0.398 176.583 176.870 0.185 0.000 0.975 347 L CA -0.054 54.942 54.840 0.260 0.000 0.864 347 L CB 1.279 43.448 42.059 0.183 0.000 1.212 347 L HN 0.859 nan 8.230 nan 0.000 0.416 348 A N 2.965 125.911 122.820 0.210 0.000 2.549 348 A HA 0.843 5.163 4.320 -0.000 0.000 0.297 348 A C -0.198 177.531 177.584 0.243 0.000 1.061 348 A CA -0.200 51.955 52.037 0.197 0.000 0.690 348 A CB 1.279 20.357 19.000 0.129 0.000 1.287 348 A HN 0.903 nan 8.150 nan 0.000 0.402 349 G N -0.168 108.765 108.800 0.221 0.000 2.442 349 G HA2 0.396 4.356 3.960 -0.000 0.000 0.249 349 G HA3 0.396 4.356 3.960 -0.000 0.000 0.249 349 G C 0.401 175.301 174.900 -0.000 0.000 1.263 349 G CA -0.080 45.057 45.100 0.061 0.000 0.846 349 G HN 0.842 nan 8.290 nan 0.000 0.555 350 Q N 1.370 121.125 119.800 -0.075 0.000 2.050 350 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 350 Q C 2.962 178.946 176.000 -0.028 0.000 0.980 350 Q CA 1.741 57.523 55.803 -0.036 0.000 0.840 350 Q CB -0.111 28.596 28.738 -0.053 0.000 0.898 350 Q HN 0.712 nan 8.270 nan 0.000 0.424 351 A N 0.061 122.852 122.820 -0.048 0.000 1.902 351 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 351 A C 2.141 179.724 177.584 -0.003 0.000 1.181 351 A CA 1.771 53.791 52.037 -0.028 0.000 0.623 351 A CB -0.744 18.233 19.000 -0.039 0.000 0.818 351 A HN 0.337 nan 8.150 nan 0.000 0.443 352 S N -1.794 113.913 115.700 0.012 0.000 2.368 352 S HA -0.232 4.238 4.470 -0.000 0.000 0.224 352 S C 1.395 176.019 174.600 0.041 0.000 1.029 352 S CA 1.731 59.956 58.200 0.041 0.000 0.988 352 S CB -0.319 62.924 63.200 0.071 0.000 0.838 352 S HN 0.608 nan 8.310 nan 0.000 0.462 353 Q N -1.198 118.625 119.800 0.038 0.000 2.177 353 Q HA -0.199 4.141 4.340 -0.000 0.000 0.174 353 Q C -0.223 175.804 176.000 0.045 0.000 0.609 353 Q CA 1.029 56.853 55.803 0.035 0.000 1.453 353 Q CB -1.343 27.407 28.738 0.020 0.000 1.591 353 Q HN 0.444 nan 8.270 nan 0.000 0.818 354 L N 2.220 123.479 121.223 0.059 0.000 2.367 354 L HA 0.241 4.581 4.340 -0.000 0.000 0.275 354 L C 0.336 177.256 176.870 0.083 0.000 1.129 354 L CA 0.740 55.620 54.840 0.067 0.000 0.839 354 L CB 0.770 42.877 42.059 0.079 0.000 1.133 354 L HN 0.193 nan 8.230 nan 0.000 0.453 355 N N 3.108 121.849 118.700 0.069 0.000 2.420 355 N HA 0.141 4.881 4.740 -0.000 0.000 0.262 355 N C 0.853 176.434 175.510 0.117 0.000 1.144 355 N CA 0.131 53.227 53.050 0.075 0.000 0.952 355 N CB 1.159 39.660 38.487 0.024 0.000 1.081 355 N HN 0.781 nan 8.380 nan 0.000 0.480 356 A N 3.726 126.636 122.820 0.150 0.000 2.119 356 A HA 0.041 4.361 4.320 -0.000 0.000 0.217 356 A C 0.620 178.383 177.584 0.298 0.000 1.153 356 A CA 0.450 52.611 52.037 0.206 0.000 0.692 356 A CB 0.205 19.299 19.000 0.157 0.000 0.799 356 A HN 0.463 nan 8.150 nan 0.000 0.458 357 V N 1.006 121.038 119.914 0.196 0.000 2.406 357 V HA 0.362 4.482 4.120 -0.000 0.000 0.272 357 V C -0.582 175.498 176.094 -0.023 0.000 1.043 357 V CA -0.186 62.202 62.300 0.147 0.000 0.915 357 V CB 1.251 33.061 31.823 -0.021 0.000 0.988 357 V HN 0.085 nan 8.190 nan 0.000 0.466 358 V N 4.457 124.282 119.914 -0.148 0.000 2.419 358 V HA 0.441 4.561 4.120 -0.000 0.000 0.287 358 V C -0.556 175.355 176.094 -0.306 0.000 1.017 358 V CA -0.549 61.511 62.300 -0.400 0.000 0.844 358 V CB 1.646 32.990 31.823 -0.798 0.000 1.011 358 V HN 0.824 nan 8.190 nan 0.000 0.429 359 D N 3.313 123.615 120.400 -0.163 0.000 2.326 359 D HA 0.770 5.410 4.640 -0.000 0.000 0.248 359 D C -0.859 175.462 176.300 0.036 0.000 1.001 359 D CA -0.268 53.741 54.000 0.015 0.000 0.961 359 D CB 2.243 43.001 40.800 -0.070 0.000 1.183 359 D HN 0.350 nan 8.370 nan 0.000 0.502 360 L N 1.020 122.323 121.223 0.133 0.000 2.388 360 L HA 0.331 4.671 4.340 -0.000 0.000 0.264 360 L C 1.016 177.965 176.870 0.132 0.000 0.998 360 L CA -0.667 54.237 54.840 0.107 0.000 0.817 360 L CB 2.220 44.355 42.059 0.127 0.000 1.338 360 L HN 0.387 nan 8.230 nan 0.000 0.414 361 Q N -0.691 119.166 119.800 0.095 0.000 2.415 361 Q HA -0.038 4.302 4.340 -0.000 0.000 0.206 361 Q C 0.312 176.384 176.000 0.120 0.000 0.946 361 Q CA 0.519 56.384 55.803 0.104 0.000 0.951 361 Q CB 0.268 29.041 28.738 0.059 0.000 1.026 361 Q HN 0.625 nan 8.270 nan 0.000 0.510 362 D N 0.819 121.297 120.400 0.129 0.000 2.354 362 D HA 0.019 4.659 4.640 -0.000 0.000 0.209 362 D C -0.004 176.402 176.300 0.176 0.000 1.015 362 D CA 0.003 54.087 54.000 0.139 0.000 0.867 362 D CB 0.469 41.340 40.800 0.118 0.000 0.933 362 D HN 0.225 nan 8.370 nan 0.000 0.520 363 R N 0.519 121.136 120.500 0.195 0.000 2.573 363 R HA 0.226 4.566 4.340 -0.000 0.000 0.272 363 R C -0.618 175.812 176.300 0.215 0.000 1.009 363 R CA -0.493 55.730 56.100 0.205 0.000 1.059 363 R CB 0.794 31.251 30.300 0.262 0.000 1.112 363 R HN -0.207 nan 8.270 nan 0.000 0.517 364 N N 1.259 120.055 118.700 0.160 0.000 2.746 364 N HA 0.126 4.866 4.740 -0.000 0.000 0.250 364 N C -0.375 175.175 175.510 0.068 0.000 1.146 364 N CA -0.189 52.924 53.050 0.105 0.000 0.828 364 N CB 1.425 39.901 38.487 -0.018 0.000 1.158 364 N HN 0.572 nan 8.380 nan 0.000 0.519 365 T N 0.907 115.519 114.554 0.096 0.000 2.746 365 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 365 T C 1.354 176.006 174.700 -0.080 0.000 1.039 365 T CA 1.117 63.210 62.100 -0.010 0.000 1.142 365 T CB 0.208 68.986 68.868 -0.150 0.000 0.866 365 T HN 0.443 nan 8.240 nan 0.000 0.444 366 E N 0.870 121.040 120.200 -0.051 0.000 2.051 366 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 366 E C 2.258 178.866 176.600 0.013 0.000 0.991 366 E CA 0.831 57.227 56.400 -0.007 0.000 0.799 366 E CB -0.485 29.252 29.700 0.062 0.000 0.748 366 E HN 0.301 nan 8.360 nan 0.000 0.449 367 L N 1.086 122.287 121.223 -0.037 0.000 2.093 367 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 367 L C 2.484 179.340 176.870 -0.024 0.000 1.085 367 L CA 1.671 56.472 54.840 -0.065 0.000 0.755 367 L CB -0.688 41.313 42.059 -0.097 0.000 0.904 367 L HN -0.018 nan 8.230 nan 0.000 0.435 368 S N -1.682 114.028 115.700 0.018 0.000 2.383 368 S HA -0.304 4.166 4.470 -0.000 0.000 0.229 368 S C 2.110 176.742 174.600 0.054 0.000 1.030 368 S CA 1.603 59.842 58.200 0.065 0.000 1.002 368 S CB -0.597 62.638 63.200 0.059 0.000 0.829 368 S HN 0.651 nan 8.310 nan 0.000 0.467 369 Y N 1.389 121.638 120.300 -0.086 0.000 2.314 369 Y HA -0.012 4.538 4.550 -0.000 0.000 0.293 369 Y C 2.570 178.401 175.900 -0.115 0.000 1.129 369 Y CA 1.504 59.536 58.100 -0.113 0.000 1.201 369 Y CB -0.142 38.244 38.460 -0.122 0.000 0.999 369 Y HN 0.266 nan 8.280 nan 0.000 0.541 370 Q N 0.250 120.039 119.800 -0.019 0.000 2.046 370 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 370 Q C 2.341 178.261 176.000 -0.134 0.000 0.975 370 Q CA 1.674 57.433 55.803 -0.072 0.000 0.836 370 Q CB -0.507 28.160 28.738 -0.117 0.000 0.896 370 Q HN 0.541 nan 8.270 nan 0.000 0.428 371 L N 0.265 121.377 121.223 -0.185 0.000 2.156 371 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 371 L C 2.413 179.029 176.870 -0.422 0.000 1.095 371 L CA 0.364 55.113 54.840 -0.151 0.000 0.770 371 L CB -0.490 41.586 42.059 0.029 0.000 0.914 371 L HN 0.184 nan 8.230 nan 0.000 0.439 372 L N 0.178 120.994 121.223 -0.678 0.000 2.017 372 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 372 L C 2.354 178.865 176.870 -0.597 0.000 1.073 372 L CA 1.733 55.962 54.840 -1.018 0.000 0.745 372 L CB -0.393 41.251 42.059 -0.692 0.000 0.894 372 L HN 0.090 nan 8.230 nan 0.000 0.432 373 L N -0.458 120.480 121.223 -0.475 0.000 2.083 373 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 373 L C 2.280 179.056 176.870 -0.157 0.000 1.083 373 L CA 1.621 56.274 54.840 -0.311 0.000 0.752 373 L CB -0.757 41.133 42.059 -0.281 0.000 0.899 373 L HN 0.397 nan 8.230 nan 0.000 0.433 374 D N -0.368 119.983 120.400 -0.082 0.000 2.178 374 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 374 D C 2.235 178.521 176.300 -0.023 0.000 0.980 374 D CA 1.358 55.362 54.000 0.007 0.000 0.842 374 D CB 0.168 41.092 40.800 0.207 0.000 0.948 374 D HN 0.299 nan 8.370 nan 0.000 0.472 375 S N -0.287 115.355 115.700 -0.096 0.000 2.446 375 S HA -0.073 4.397 4.470 -0.000 0.000 0.225 375 S C 1.942 176.519 174.600 -0.038 0.000 1.016 375 S CA 0.547 58.722 58.200 -0.042 0.000 0.943 375 S CB -0.624 62.543 63.200 -0.054 0.000 0.786 375 S HN 0.546 nan 8.310 nan 0.000 0.508 376 I N -2.028 118.488 120.570 -0.089 0.000 3.941 376 I HA 0.653 4.823 4.170 -0.000 0.000 0.335 376 I C 0.615 176.709 176.117 -0.038 0.000 1.402 376 I CA -0.451 60.816 61.300 -0.055 0.000 1.112 376 I CB 0.173 38.127 38.000 -0.078 0.000 1.043 376 I HN 0.326 nan 8.210 nan 0.000 0.395 377 G N 0.525 109.305 108.800 -0.034 0.000 2.488 377 G HA2 0.124 4.084 3.960 -0.000 0.000 0.301 377 G HA3 0.124 4.084 3.960 -0.000 0.000 0.301 377 G C -2.061 172.827 174.900 -0.021 0.000 1.339 377 G CA -0.463 44.623 45.100 -0.023 0.000 0.803 377 G HN 0.023 nan 8.290 nan 0.000 0.482 378 D N -0.175 120.212 120.400 -0.022 0.000 2.468 378 D HA 0.274 4.914 4.640 -0.000 0.000 0.218 378 D C 1.360 177.643 176.300 -0.028 0.000 1.155 378 D CA -0.666 53.316 54.000 -0.031 0.000 0.924 378 D CB 1.265 42.042 40.800 -0.039 0.000 1.029 378 D HN 0.272 nan 8.370 nan 0.000 0.515 379 R N 1.300 121.778 120.500 -0.036 0.000 2.377 379 R HA -0.071 4.269 4.340 -0.000 0.000 0.207 379 R C 1.803 178.098 176.300 -0.007 0.000 1.075 379 R CA 1.158 57.246 56.100 -0.020 0.000 1.035 379 R CB -0.603 29.658 30.300 -0.065 0.000 0.857 379 R HN 0.447 nan 8.270 nan 0.000 0.475 380 T N -2.851 111.675 114.554 -0.046 0.000 3.081 380 T HA 0.176 4.526 4.350 -0.000 0.000 0.255 380 T C 0.714 175.319 174.700 -0.159 0.000 1.113 380 T CA -0.129 61.925 62.100 -0.077 0.000 1.082 380 T CB 0.101 68.900 68.868 -0.115 0.000 0.939 380 T HN -0.063 nan 8.240 nan 0.000 0.506 381 R N 1.139 121.583 120.500 -0.093 0.000 2.410 381 R HA 0.394 4.734 4.340 -0.000 0.000 0.288 381 R C -0.956 175.397 176.300 0.089 0.000 1.051 381 R CA -0.502 55.521 56.100 -0.128 0.000 1.021 381 R CB 0.522 30.779 30.300 -0.073 0.000 1.032 381 R HN 0.278 nan 8.270 nan 0.000 0.481 382 Y N 1.780 122.004 120.300 -0.126 0.000 2.352 382 Y HA 0.371 4.921 4.550 -0.000 0.000 0.326 382 Y C -0.035 175.909 175.900 0.073 0.000 1.166 382 Y CA -1.384 56.630 58.100 -0.143 0.000 1.182 382 Y CB 0.927 39.053 38.460 -0.556 0.000 1.216 382 Y HN 0.461 nan 8.280 nan 0.000 0.474 383 F N 2.263 122.287 119.950 0.123 0.000 2.828 383 F HA 0.192 4.719 4.527 -0.000 0.000 0.355 383 F C 0.876 176.720 175.800 0.074 0.000 1.200 383 F CA -0.599 57.447 58.000 0.078 0.000 1.062 383 F CB 1.442 40.487 39.000 0.075 0.000 1.351 383 F HN 0.562 nan 8.300 nan 0.000 0.504 384 S N 4.923 120.763 115.700 0.233 0.000 2.400 384 S HA -0.261 4.209 4.470 -0.000 0.000 0.232 384 S C 1.955 176.351 174.600 -0.340 0.000 1.025 384 S CA 1.350 59.558 58.200 0.015 0.000 0.993 384 S CB -0.265 62.991 63.200 0.094 0.000 0.808 384 S HN 0.907 nan 8.310 nan 0.000 0.478 385 M N -0.014 119.064 119.600 -0.869 0.000 2.082 385 M HA -0.071 4.409 4.480 -0.000 0.000 0.258 385 M C 1.152 176.973 176.300 -0.798 0.000 1.069 385 M CA 1.856 56.498 55.300 -1.095 0.000 1.102 385 M CB -0.217 31.337 32.600 -1.744 0.000 1.336 385 M HN 0.553 nan 8.290 nan 0.000 0.404 386 W N -0.367 120.552 121.300 -0.635 0.000 3.316 386 W HA 0.224 4.884 4.660 -0.000 0.000 0.327 386 W C 0.442 176.726 176.519 -0.392 0.000 1.232 386 W CA -0.667 56.529 57.345 -0.248 0.000 1.805 386 W CB -0.113 29.239 29.460 -0.180 0.000 1.090 386 W HN 0.360 nan 8.180 nan 0.000 0.654 387 N N 1.414 119.945 118.700 -0.282 0.000 2.754 387 N HA -0.259 4.481 4.740 -0.000 0.000 0.248 387 N C -0.035 175.338 175.510 -0.229 0.000 1.093 387 N CA 0.693 53.476 53.050 -0.445 0.000 0.699 387 N CB -1.112 36.595 38.487 -1.301 0.000 1.016 387 N HN 0.335 nan 8.380 nan 0.000 0.552 388 Q N 0.268 120.041 119.800 -0.043 0.000 2.534 388 Q HA 0.496 4.836 4.340 -0.000 0.000 0.223 388 Q C -0.863 175.141 176.000 0.006 0.000 1.239 388 Q CA 0.259 56.103 55.803 0.069 0.000 0.936 388 Q CB 0.083 28.978 28.738 0.262 0.000 1.457 388 Q HN 0.408 nan 8.270 nan 0.000 0.547 389 A N 3.958 126.697 122.820 -0.134 0.000 2.679 389 A HA 0.270 4.590 4.320 -0.000 0.000 0.288 389 A C -0.881 176.580 177.584 -0.204 0.000 1.160 389 A CA -0.571 51.199 52.037 -0.445 0.000 0.763 389 A CB 1.116 19.599 19.000 -0.863 0.000 1.270 389 A HN 0.511 nan 8.150 nan 0.000 0.417 390 V N 2.636 122.538 119.914 -0.020 0.000 2.788 390 V HA 0.049 4.169 4.120 -0.000 0.000 0.307 390 V C 0.086 176.199 176.094 0.032 0.000 1.069 390 V CA 0.295 62.610 62.300 0.025 0.000 1.173 390 V CB 0.499 32.354 31.823 0.053 0.000 0.925 390 V HN 0.813 nan 8.190 nan 0.000 0.492 391 D N 4.369 124.788 120.400 0.033 0.000 2.389 391 D HA 0.392 5.032 4.640 -0.000 0.000 0.247 391 D C 0.033 176.478 176.300 0.242 0.000 1.128 391 D CA 0.510 54.575 54.000 0.107 0.000 0.884 391 D CB 1.356 42.166 40.800 0.018 0.000 1.194 391 D HN 0.831 nan 8.370 nan 0.000 0.441 392 S N 1.030 116.922 115.700 0.321 0.000 2.688 392 S HA 0.724 5.194 4.470 -0.000 0.000 0.275 392 S C -1.120 173.518 174.600 0.064 0.000 1.175 392 S CA -0.990 57.323 58.200 0.189 0.000 0.818 392 S CB 1.595 64.794 63.200 -0.001 0.000 1.157 392 S HN 0.547 nan 8.310 nan 0.000 0.482 393 Y N -1.090 119.130 120.300 -0.133 0.000 2.644 393 Y HA 0.744 5.294 4.550 -0.000 0.000 0.338 393 Y C -1.088 174.678 175.900 -0.224 0.000 1.119 393 Y CA -1.216 56.710 58.100 -0.290 0.000 1.060 393 Y CB 0.655 38.786 38.460 -0.548 0.000 1.294 393 Y HN 0.617 nan 8.280 nan 0.000 0.472 394 D N 2.056 122.471 120.400 0.024 0.000 2.343 394 D HA 0.241 4.881 4.640 -0.000 0.000 0.255 394 D C -1.909 174.465 176.300 0.123 0.000 1.187 394 D CA -2.294 51.718 54.000 0.019 0.000 0.875 394 D CB 1.737 42.513 40.800 -0.040 0.000 1.136 394 D HN 0.356 nan 8.370 nan 0.000 0.469 395 P HA -0.099 nan 4.420 nan 0.000 0.216 395 P C 0.510 177.856 177.300 0.077 0.000 1.150 395 P CA 0.882 64.056 63.100 0.123 0.000 0.837 395 P CB 0.326 32.056 31.700 0.051 0.000 0.786 396 D N -1.447 119.007 120.400 0.091 0.000 2.348 396 D HA -0.038 4.602 4.640 -0.000 0.000 0.216 396 D C 1.716 178.128 176.300 0.186 0.000 0.970 396 D CA 0.699 54.786 54.000 0.144 0.000 0.889 396 D CB 0.022 40.919 40.800 0.162 0.000 0.912 396 D HN 0.095 nan 8.370 nan 0.000 0.524 397 V N 0.429 120.374 119.914 0.050 0.000 2.685 397 V HA -0.055 4.065 4.120 -0.000 0.000 0.244 397 V C 2.377 178.337 176.094 -0.224 0.000 1.054 397 V CA 0.593 62.821 62.300 -0.120 0.000 1.076 397 V CB -0.039 31.554 31.823 -0.383 0.000 0.725 397 V HN -0.028 nan 8.190 nan 0.000 0.467 398 R N 0.737 121.064 120.500 -0.288 0.000 2.075 398 R HA 0.069 4.409 4.340 -0.000 0.000 0.232 398 R C 0.606 176.765 176.300 -0.235 0.000 1.126 398 R CA 1.527 57.377 56.100 -0.418 0.000 0.963 398 R CB -0.155 29.752 30.300 -0.655 0.000 0.858 398 R HN 0.455 nan 8.270 nan 0.000 0.435 399 I N 1.593 122.095 120.570 -0.114 0.000 2.411 399 I HA 0.270 4.440 4.170 -0.000 0.000 0.284 399 I C -0.626 175.511 176.117 0.032 0.000 1.012 399 I CA -0.762 60.500 61.300 -0.063 0.000 1.119 399 I CB 1.955 39.922 38.000 -0.055 0.000 1.261 399 I HN -0.022 nan 8.210 nan 0.000 0.448 400 I N 5.884 126.497 120.570 0.071 0.000 2.517 400 I HA 0.080 4.250 4.170 -0.000 0.000 0.285 400 I C 0.651 176.878 176.117 0.184 0.000 1.106 400 I CA 0.311 61.713 61.300 0.169 0.000 1.402 400 I CB 0.392 38.503 38.000 0.185 0.000 1.399 400 I HN 0.616 nan 8.210 nan 0.000 0.535 401 E N 6.689 126.998 120.200 0.182 0.000 2.173 401 E HA 0.109 4.459 4.350 -0.000 0.000 0.249 401 E C -0.673 175.950 176.600 0.038 0.000 0.923 401 E CA -0.506 55.963 56.400 0.116 0.000 0.754 401 E CB 0.591 30.345 29.700 0.090 0.000 1.177 401 E HN 0.430 nan 8.360 nan 0.000 0.430 402 N N 2.863 121.629 118.700 0.109 0.000 2.719 402 N HA -0.008 4.732 4.740 -0.000 0.000 0.243 402 N C -0.158 175.308 175.510 -0.073 0.000 1.104 402 N CA -0.116 52.975 53.050 0.069 0.000 0.981 402 N CB 0.086 38.739 38.487 0.278 0.000 1.290 402 N HN 0.501 nan 8.380 nan 0.000 0.513 403 H N 1.228 120.210 119.070 -0.147 0.000 2.538 403 H HA 0.439 4.995 4.556 -0.000 0.000 0.286 403 H C 1.258 176.472 175.328 -0.191 0.000 1.035 403 H CA -0.165 55.798 56.048 -0.141 0.000 1.169 403 H CB -0.211 29.463 29.762 -0.146 0.000 1.417 403 H HN 0.509 nan 8.280 nan 0.000 0.567 404 G N 0.723 109.377 108.800 -0.243 0.000 2.542 404 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.235 404 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.235 404 G C -0.160 174.536 174.900 -0.340 0.000 1.286 404 G CA -0.014 44.969 45.100 -0.195 0.000 0.904 404 G HN 1.091 nan 8.290 nan 0.000 0.577 405 T N -2.518 111.945 114.554 -0.152 0.000 2.909 405 T HA 0.692 5.042 4.350 -0.000 0.000 0.299 405 T C -0.581 174.082 174.700 -0.062 0.000 1.073 405 T CA -0.216 61.807 62.100 -0.130 0.000 0.999 405 T CB 2.322 71.156 68.868 -0.058 0.000 1.098 405 T HN 0.692 nan 8.240 nan 0.000 0.477 406 E N 2.264 122.429 120.200 -0.059 0.000 1.932 406 E HA 0.186 4.536 4.350 -0.000 0.000 0.259 406 E C -0.328 176.246 176.600 -0.043 0.000 1.099 406 E CA -0.480 55.891 56.400 -0.048 0.000 0.970 406 E CB 0.123 29.792 29.700 -0.053 0.000 1.143 406 E HN 0.700 nan 8.360 nan 0.000 0.441 407 D N 1.373 121.750 120.400 -0.039 0.000 2.643 407 D HA 0.017 4.657 4.640 -0.000 0.000 0.244 407 D C 0.597 176.867 176.300 -0.049 0.000 1.257 407 D CA -0.251 53.722 54.000 -0.045 0.000 0.831 407 D CB 0.371 41.147 40.800 -0.041 0.000 1.043 407 D HN 0.090 nan 8.370 nan 0.000 0.488 408 E N 0.322 120.498 120.200 -0.041 0.000 2.058 408 E HA -0.003 4.347 4.350 -0.000 0.000 0.194 408 E C 0.575 177.151 176.600 -0.041 0.000 0.997 408 E CA 0.845 57.224 56.400 -0.036 0.000 0.801 408 E CB 0.071 29.754 29.700 -0.028 0.000 0.746 408 E HN 0.423 nan 8.360 nan 0.000 0.450 409 L N 2.487 123.682 121.223 -0.047 0.000 2.326 409 L HA 0.285 4.625 4.340 -0.000 0.000 0.278 409 L C -1.969 174.834 176.870 -0.112 0.000 1.092 409 L CA -2.077 52.731 54.840 -0.053 0.000 0.810 409 L CB 0.593 42.632 42.059 -0.034 0.000 1.153 409 L HN 0.036 nan 8.230 nan 0.000 0.439 410 P HA 0.175 nan 4.420 nan 0.000 0.277 410 P C -1.476 175.495 177.300 -0.548 0.000 1.240 410 P CA -0.535 62.340 63.100 -0.374 0.000 0.798 410 P CB 0.843 32.294 31.700 -0.415 0.000 0.979 411 N N 1.160 119.485 118.700 -0.624 0.000 2.372 411 N HA 0.413 5.153 4.740 -0.000 0.000 0.285 411 N C -1.000 174.134 175.510 -0.627 0.000 1.008 411 N CA -0.476 52.286 53.050 -0.480 0.000 0.880 411 N CB 1.066 39.409 38.487 -0.239 0.000 1.239 411 N HN 0.407 nan 8.380 nan 0.000 0.484 412 Y N -0.127 120.057 120.300 -0.193 0.000 2.602 412 Y HA 0.640 5.190 4.550 -0.000 0.000 0.342 412 Y C 0.175 175.716 175.900 -0.598 0.000 1.029 412 Y CA -1.244 56.580 58.100 -0.460 0.000 1.080 412 Y CB 1.182 39.209 38.460 -0.721 0.000 1.284 412 Y HN 0.481 nan 8.280 nan 0.000 0.485 413 C N -0.107 118.870 119.300 -0.539 0.000 2.507 413 C HA 0.897 5.357 4.460 -0.000 0.000 0.319 413 C C -0.974 173.603 174.990 -0.688 0.000 1.208 413 C CA -1.135 57.633 59.018 -0.416 0.000 1.619 413 C CB -0.413 27.221 27.740 -0.176 0.000 2.230 413 C HN 0.631 nan 8.230 nan 0.000 0.492 414 F N 0.205 120.145 119.950 -0.018 0.000 2.639 414 F HA 0.754 5.281 4.527 -0.000 0.000 0.339 414 F C -2.033 173.764 175.800 -0.005 0.000 1.071 414 F CA -2.322 55.656 58.000 -0.037 0.000 0.994 414 F CB 0.243 39.212 39.000 -0.051 0.000 1.341 414 F HN 0.362 nan 8.300 nan 0.000 0.498 415 P HA 0.209 nan 4.420 nan 0.000 0.269 415 P C 0.724 178.032 177.300 0.014 0.000 1.215 415 P CA -0.084 63.102 63.100 0.143 0.000 0.780 415 P CB 0.624 32.415 31.700 0.152 0.000 0.898 416 L N 1.113 122.320 121.223 -0.027 0.000 2.083 416 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 416 L C 2.481 178.998 176.870 -0.588 0.000 1.083 416 L CA 1.909 56.652 54.840 -0.162 0.000 0.752 416 L CB -1.169 40.883 42.059 -0.012 0.000 0.899 416 L HN 0.599 nan 8.230 nan 0.000 0.433 417 G N -0.864 107.461 108.800 -0.792 0.000 2.422 417 G HA2 0.028 3.988 3.960 -0.000 0.000 0.218 417 G HA3 0.028 3.988 3.960 -0.000 0.000 0.218 417 G C 1.303 175.724 174.900 -0.799 0.000 1.146 417 G CA 0.922 45.024 45.100 -1.664 0.000 0.769 417 G HN 0.579 nan 8.290 nan 0.000 0.547 418 G N -2.505 106.072 108.800 -0.372 0.000 2.184 418 G HA2 0.095 4.055 3.960 -0.000 0.000 0.206 418 G HA3 0.095 4.055 3.960 -0.000 0.000 0.206 418 G C 0.003 174.841 174.900 -0.104 0.000 0.995 418 G CA 0.345 45.315 45.100 -0.218 0.000 0.651 418 G HN 1.566 nan 8.290 nan 0.000 0.511 419 V N -0.527 119.354 119.914 -0.056 0.000 3.121 419 V HA 0.625 4.745 4.120 -0.000 0.000 0.263 419 V C -0.297 175.854 176.094 0.094 0.000 1.795 419 V CA 0.165 62.491 62.300 0.044 0.000 0.979 419 V CB 1.761 33.604 31.823 0.032 0.000 1.335 419 V HN 0.650 nan 8.190 nan 0.000 0.462 420 I N 1.962 122.603 120.570 0.119 0.000 4.922 420 I HA 0.359 4.529 4.170 -0.000 0.000 0.331 420 I C 0.298 176.451 176.117 0.060 0.000 1.260 420 I CA 0.054 61.423 61.300 0.115 0.000 1.366 420 I CB 0.759 38.826 38.000 0.111 0.000 1.386 420 I HN 0.677 nan 8.210 nan 0.000 0.483 421 N N 3.296 122.019 118.700 0.038 0.000 3.250 421 N HA 0.120 4.860 4.740 -0.000 0.000 0.307 421 N C -0.162 175.361 175.510 0.022 0.000 1.355 421 N CA 0.207 53.261 53.050 0.007 0.000 1.192 421 N CB 0.003 38.483 38.487 -0.013 0.000 1.478 421 N HN 0.366 nan 8.380 nan 0.000 0.543 422 T N -1.645 112.928 114.554 0.031 0.000 2.899 422 T HA 0.303 4.653 4.350 -0.000 0.000 0.295 422 T C 0.312 175.018 174.700 0.010 0.000 1.033 422 T CA -0.739 61.376 62.100 0.025 0.000 1.084 422 T CB 1.537 70.425 68.868 0.034 0.000 0.979 422 T HN 0.384 nan 8.240 nan 0.000 0.532 423 E N 0.837 121.039 120.200 0.003 0.000 2.212 423 E HA 0.415 4.765 4.350 -0.000 0.000 0.268 423 E C -1.140 175.455 176.600 -0.009 0.000 0.902 423 E CA -1.028 55.370 56.400 -0.003 0.000 0.779 423 E CB 1.347 31.045 29.700 -0.003 0.000 1.172 423 E HN 0.514 nan 8.360 nan 0.000 0.409 424 T N 3.960 118.507 114.554 -0.011 0.000 2.779 424 T HA 0.295 4.645 4.350 -0.000 0.000 0.296 424 T C 0.018 174.710 174.700 -0.015 0.000 0.938 424 T CA -0.118 61.973 62.100 -0.016 0.000 1.119 424 T CB -0.050 68.808 68.868 -0.016 0.000 0.891 424 T HN 0.316 nan 8.240 nan 0.000 0.526 425 L N 2.255 123.467 121.223 -0.017 0.000 2.283 425 L HA 0.649 4.989 4.340 -0.000 0.000 0.259 425 L C 0.241 177.106 176.870 -0.008 0.000 1.027 425 L CA -1.105 53.726 54.840 -0.016 0.000 0.828 425 L CB 2.258 44.304 42.059 -0.022 0.000 1.380 425 L HN 0.465 nan 8.230 nan 0.000 0.425 426 T N 0.458 115.009 114.554 -0.004 0.000 2.841 426 T HA 0.275 4.625 4.350 -0.000 0.000 0.283 426 T C -0.246 174.467 174.700 0.022 0.000 1.000 426 T CA -0.673 61.436 62.100 0.014 0.000 0.977 426 T CB 1.788 70.663 68.868 0.011 0.000 0.979 426 T HN 0.255 nan 8.240 nan 0.000 0.446 427 K N 2.169 122.617 120.400 0.080 0.000 2.469 427 K HA 0.322 4.642 4.320 -0.000 0.000 0.274 427 K C -0.709 175.891 176.600 -0.001 0.000 0.983 427 K CA 0.134 56.481 56.287 0.100 0.000 0.974 427 K CB 0.469 33.115 32.500 0.242 0.000 0.913 427 K HN 0.388 nan 8.250 nan 0.000 0.493 428 V N 3.590 123.462 119.914 -0.069 0.000 2.971 428 V HA 0.413 4.533 4.120 -0.000 0.000 0.309 428 V C -0.687 175.357 176.094 -0.083 0.000 1.130 428 V CA -0.911 61.328 62.300 -0.102 0.000 0.964 428 V CB 2.476 34.157 31.823 -0.237 0.000 1.029 428 V HN 0.701 nan 8.190 nan 0.000 0.427 429 K N 4.043 124.493 120.400 0.084 0.000 2.426 429 K HA 0.609 4.929 4.320 -0.000 0.000 0.251 429 K C -2.806 174.156 176.600 0.602 0.000 0.941 429 K CA -1.738 54.680 56.287 0.218 0.000 0.808 429 K CB 2.951 35.505 32.500 0.090 0.000 1.265 429 K HN 0.377 nan 8.250 nan 0.000 0.432 430 P HA 0.154 nan 4.420 nan 0.000 0.282 430 P C -1.295 176.001 177.300 -0.006 0.000 1.287 430 P CA -0.378 62.790 63.100 0.114 0.000 0.792 430 P CB 0.450 32.189 31.700 0.065 0.000 1.163 431 K N -1.541 118.774 120.400 -0.143 0.000 6.365 431 K HA -0.102 4.218 4.320 -0.000 0.000 0.786 431 K C 0.117 176.685 176.600 -0.052 0.000 2.401 431 K CA 0.590 56.826 56.287 -0.086 0.000 1.752 431 K CB -2.063 30.414 32.500 -0.038 0.000 2.498 431 K HN 0.830 nan 8.250 nan 0.000 0.213 432 T N -0.333 114.184 114.554 -0.061 0.000 6.178 432 T HA -0.106 4.244 4.350 -0.000 0.000 0.277 432 T C 0.874 175.550 174.700 -0.041 0.000 2.183 432 T CA 1.280 63.360 62.100 -0.034 0.000 3.733 432 T CB -1.219 67.646 68.868 -0.005 0.000 0.719 432 T HN 0.969 nan 8.240 nan 0.000 0.455 433 G N 2.279 111.041 108.800 -0.063 0.000 3.448 433 G HA2 0.420 4.380 3.960 -0.000 0.000 0.261 433 G HA3 0.420 4.380 3.960 -0.000 0.000 0.261 433 G C 0.250 175.089 174.900 -0.103 0.000 1.173 433 G CA -0.133 44.932 45.100 -0.060 0.000 0.835 433 G HN 0.673 nan 8.290 nan 0.000 0.534 434 Q N 0.415 120.146 119.800 -0.115 0.000 2.454 434 Q HA 0.236 4.576 4.340 -0.000 0.000 0.247 434 Q C -0.505 175.446 176.000 -0.080 0.000 1.028 434 Q CA -0.136 55.594 55.803 -0.122 0.000 0.910 434 Q CB 1.152 29.821 28.738 -0.114 0.000 1.276 434 Q HN 0.272 nan 8.270 nan 0.000 0.489 435 E N 1.923 122.078 120.200 -0.076 0.000 2.417 435 E HA -0.059 4.291 4.350 -0.000 0.000 0.261 435 E C -0.648 175.868 176.600 -0.139 0.000 1.000 435 E CA -0.166 56.175 56.400 -0.097 0.000 0.919 435 E CB 0.130 29.787 29.700 -0.072 0.000 0.955 435 E HN 0.467 nan 8.360 nan 0.000 0.455 436 N N 1.527 120.099 118.700 -0.213 0.000 2.681 436 N HA -0.139 4.601 4.740 -0.000 0.000 0.259 436 N C -0.609 174.673 175.510 -0.380 0.000 1.066 436 N CA 1.117 53.957 53.050 -0.350 0.000 0.717 436 N CB -1.289 37.045 38.487 -0.256 0.000 0.885 436 N HN 0.648 nan 8.380 nan 0.000 0.547 437 G N -0.851 107.719 108.800 -0.383 0.000 2.452 437 G HA2 0.622 4.582 3.960 -0.000 0.000 0.324 437 G HA3 0.622 4.582 3.960 -0.000 0.000 0.324 437 G C -0.837 173.889 174.900 -0.290 0.000 1.214 437 G CA -0.543 44.413 45.100 -0.240 0.000 0.947 437 G HN 0.179 nan 8.290 nan 0.000 0.478 438 W N 0.714 122.012 121.300 -0.003 0.000 2.761 438 W HA 0.548 5.208 4.660 -0.000 0.000 0.340 438 W C -0.067 176.450 176.519 -0.004 0.000 1.072 438 W CA -0.651 56.692 57.345 -0.004 0.000 1.215 438 W CB 2.317 31.776 29.460 -0.002 0.000 1.420 438 W HN 0.521 nan 8.180 nan 0.000 0.519 439 E N 0.980 121.336 120.200 0.259 0.000 2.359 439 E HA 0.297 4.647 4.350 -0.000 0.000 0.266 439 E C -0.617 176.043 176.600 0.101 0.000 0.920 439 E CA -1.024 55.458 56.400 0.135 0.000 0.788 439 E CB 2.741 32.491 29.700 0.084 0.000 1.279 439 E HN 0.106 nan 8.360 nan 0.000 0.438 440 K N 1.094 121.531 120.400 0.062 0.000 2.414 440 K HA 0.038 4.358 4.320 -0.000 0.000 0.272 440 K C -0.367 176.248 176.600 0.025 0.000 0.993 440 K CA -0.002 56.308 56.287 0.038 0.000 0.964 440 K CB 0.361 32.880 32.500 0.031 0.000 0.925 440 K HN 0.353 nan 8.250 nan 0.000 0.487 441 D N 0.668 121.074 120.400 0.009 0.000 2.210 441 D HA 0.177 4.817 4.640 -0.000 0.000 0.249 441 D C 0.190 176.487 176.300 -0.005 0.000 1.078 441 D CA -0.124 53.864 54.000 -0.020 0.000 0.875 441 D CB 1.763 42.517 40.800 -0.076 0.000 1.175 441 D HN 0.540 nan 8.370 nan 0.000 0.440 442 A N 2.346 125.158 122.820 -0.013 0.000 1.984 442 A HA -0.034 4.286 4.320 -0.000 0.000 0.214 442 A C 1.463 179.048 177.584 0.002 0.000 1.173 442 A CA 0.894 52.931 52.037 0.000 0.000 0.673 442 A CB -0.316 18.683 19.000 -0.001 0.000 0.830 442 A HN 0.611 nan 8.150 nan 0.000 0.453 443 T N 0.027 114.565 114.554 -0.027 0.000 3.500 443 T HA 0.231 4.581 4.350 -0.000 0.000 0.244 443 T C 0.062 174.780 174.700 0.030 0.000 0.962 443 T CA -0.274 61.814 62.100 -0.019 0.000 0.932 443 T CB -0.827 68.001 68.868 -0.066 0.000 1.096 443 T HN 0.504 nan 8.240 nan 0.000 0.617 444 E N 0.593 120.849 120.200 0.093 0.000 2.458 444 E HA 0.141 4.491 4.350 -0.000 0.000 0.264 444 E C -0.543 176.242 176.600 0.308 0.000 1.097 444 E CA -0.056 56.496 56.400 0.253 0.000 0.973 444 E CB 0.037 29.832 29.700 0.157 0.000 0.963 444 E HN 0.419 nan 8.360 nan 0.000 0.451 445 F N 0.182 120.125 119.950 -0.012 0.000 2.744 445 F HA -0.226 4.301 4.527 -0.000 0.000 0.377 445 F C 0.512 176.301 175.800 -0.018 0.000 1.069 445 F CA 0.561 58.552 58.000 -0.016 0.000 1.211 445 F CB -2.052 36.939 39.000 -0.015 0.000 1.606 445 F HN 0.379 nan 8.300 nan 0.000 0.781 446 S N 0.391 116.116 115.700 0.041 0.000 2.599 446 S HA -0.006 4.464 4.470 -0.000 0.000 0.303 446 S C 1.353 175.968 174.600 0.025 0.000 1.267 446 S CA 0.025 58.236 58.200 0.018 0.000 1.055 446 S CB 0.776 63.960 63.200 -0.027 0.000 0.790 446 S HN 0.546 nan 8.310 nan 0.000 0.500 447 D N 1.594 122.011 120.400 0.028 0.000 2.403 447 D HA -0.115 4.525 4.640 -0.000 0.000 0.227 447 D C -0.042 176.260 176.300 0.003 0.000 0.995 447 D CA 0.738 54.752 54.000 0.024 0.000 0.928 447 D CB -0.215 40.597 40.800 0.020 0.000 0.887 447 D HN 0.672 nan 8.370 nan 0.000 0.529 448 K N 0.773 121.165 120.400 -0.013 0.000 2.530 448 K HA 0.292 4.612 4.320 -0.000 0.000 0.230 448 K C -0.883 175.688 176.600 -0.049 0.000 1.002 448 K CA -0.641 55.629 56.287 -0.028 0.000 1.014 448 K CB 0.943 33.424 32.500 -0.031 0.000 1.286 448 K HN -0.104 nan 8.250 nan 0.000 0.480 449 N N 2.033 120.705 118.700 -0.048 0.000 2.314 449 N HA 0.205 4.945 4.740 -0.000 0.000 0.294 449 N C -1.028 174.452 175.510 -0.050 0.000 1.029 449 N CA -0.733 52.276 53.050 -0.069 0.000 0.845 449 N CB 1.850 40.285 38.487 -0.087 0.000 1.321 449 N HN 0.314 nan 8.380 nan 0.000 0.481 450 E N 1.436 121.606 120.200 -0.049 0.000 2.105 450 E HA 0.421 4.771 4.350 -0.000 0.000 0.285 450 E C -0.359 176.232 176.600 -0.016 0.000 1.055 450 E CA 0.044 56.429 56.400 -0.025 0.000 0.843 450 E CB 0.676 30.368 29.700 -0.013 0.000 1.067 450 E HN 0.405 nan 8.360 nan 0.000 0.398 451 I N 2.697 123.260 120.570 -0.011 0.000 2.498 451 I HA 0.384 4.554 4.170 -0.000 0.000 0.290 451 I C -0.282 175.836 176.117 0.001 0.000 1.032 451 I CA -1.274 60.021 61.300 -0.008 0.000 1.073 451 I CB 1.813 39.803 38.000 -0.017 0.000 1.251 451 I HN 0.209 nan 8.210 nan 0.000 0.426 452 R N 5.579 126.084 120.500 0.008 0.000 2.297 452 R HA 0.539 4.879 4.340 -0.000 0.000 0.308 452 R C -1.616 174.688 176.300 0.007 0.000 1.029 452 R CA -0.285 55.824 56.100 0.014 0.000 0.929 452 R CB 1.137 31.452 30.300 0.025 0.000 1.046 452 R HN 0.407 nan 8.270 nan 0.000 0.461 453 V N 5.528 125.447 119.914 0.008 0.000 2.347 453 V HA 0.792 4.912 4.120 -0.000 0.000 0.280 453 V C 0.731 176.832 176.094 0.012 0.000 1.021 453 V CA 0.487 62.790 62.300 0.005 0.000 0.847 453 V CB 0.419 32.243 31.823 0.001 0.000 0.990 453 V HN 1.066 nan 8.190 nan 0.000 0.444 454 G N 5.095 113.901 108.800 0.009 0.000 2.483 454 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.521 454 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.521 454 G C -0.703 174.205 174.900 0.012 0.000 1.278 454 G CA -0.824 44.283 45.100 0.012 0.000 0.965 454 G HN 0.581 nan 8.290 nan 0.000 0.504 455 N N 0.959 119.668 118.700 0.014 0.000 2.424 455 N HA 0.326 5.066 4.740 -0.000 0.000 0.257 455 N C 0.839 176.372 175.510 0.039 0.000 1.250 455 N CA 0.326 53.380 53.050 0.008 0.000 0.946 455 N CB 0.291 38.774 38.487 -0.007 0.000 1.175 455 N HN 0.908 nan 8.380 nan 0.000 0.477 456 N N -0.428 118.297 118.700 0.041 0.000 2.317 456 N HA 0.064 4.804 4.740 -0.000 0.000 0.245 456 N C -0.604 175.013 175.510 0.178 0.000 1.294 456 N CA -0.282 52.830 53.050 0.104 0.000 0.924 456 N CB 0.145 38.682 38.487 0.083 0.000 1.186 456 N HN 0.403 nan 8.380 nan 0.000 0.495 457 F N -0.332 119.660 119.950 0.070 0.000 2.438 457 F HA 0.568 5.095 4.527 -0.000 0.000 0.356 457 F C -0.209 175.630 175.800 0.065 0.000 1.099 457 F CA -0.876 57.157 58.000 0.054 0.000 1.185 457 F CB -0.103 38.925 39.000 0.048 0.000 1.115 457 F HN 0.720 nan 8.300 nan 0.000 0.526 458 A N 7.530 129.940 122.820 -0.683 0.000 2.475 458 A HA 0.826 5.146 4.320 -0.000 0.000 0.301 458 A C -1.237 175.914 177.584 -0.721 0.000 1.059 458 A CA -0.885 50.749 52.037 -0.671 0.000 0.710 458 A CB 1.531 20.221 19.000 -0.517 0.000 1.288 458 A HN 0.661 nan 8.150 nan 0.000 0.408 459 M N 1.342 120.628 119.600 -0.523 0.000 2.465 459 M HA 0.471 4.951 4.480 -0.000 0.000 0.316 459 M C -0.380 175.839 176.300 -0.134 0.000 1.121 459 M CA -0.215 54.904 55.300 -0.300 0.000 0.934 459 M CB 1.661 34.116 32.600 -0.242 0.000 1.692 459 M HN 0.950 nan 8.290 nan 0.000 0.444 460 E N 2.282 122.442 120.200 -0.067 0.000 2.207 460 E HA 0.781 5.131 4.350 -0.000 0.000 0.270 460 E C -1.771 174.738 176.600 -0.151 0.000 0.927 460 E CA -0.634 55.701 56.400 -0.108 0.000 0.799 460 E CB 2.572 32.226 29.700 -0.078 0.000 1.172 460 E HN 0.729 nan 8.360 nan 0.000 0.404 461 I N 3.062 123.512 120.570 -0.199 0.000 2.722 461 I HA 0.277 4.447 4.170 -0.000 0.000 0.292 461 I C -1.762 174.258 176.117 -0.162 0.000 1.267 461 I CA -0.807 60.401 61.300 -0.152 0.000 1.036 461 I CB 2.004 39.940 38.000 -0.106 0.000 1.281 461 I HN 0.484 nan 8.210 nan 0.000 0.423 462 N N 7.488 126.110 118.700 -0.130 0.000 2.602 462 N HA 0.230 4.970 4.740 -0.000 0.000 0.238 462 N C 0.689 176.166 175.510 -0.055 0.000 1.084 462 N CA -0.022 52.966 53.050 -0.103 0.000 0.952 462 N CB 0.777 39.212 38.487 -0.088 0.000 1.244 462 N HN 0.787 nan 8.380 nan 0.000 0.512 463 L N 3.352 124.541 121.223 -0.057 0.000 1.956 463 L HA -0.247 4.093 4.340 -0.000 0.000 0.216 463 L C 1.733 178.611 176.870 0.013 0.000 1.073 463 L CA 1.565 56.392 54.840 -0.022 0.000 0.762 463 L CB -0.252 41.791 42.059 -0.028 0.000 0.889 463 L HN 0.603 nan 8.230 nan 0.000 0.433 464 N N -0.859 117.844 118.700 0.006 0.000 2.149 464 N HA -0.208 4.532 4.740 -0.000 0.000 0.188 464 N C 1.759 177.322 175.510 0.089 0.000 1.019 464 N CA 1.080 54.148 53.050 0.030 0.000 0.857 464 N CB -0.148 38.336 38.487 -0.006 0.000 0.997 464 N HN 0.402 nan 8.380 nan 0.000 0.426 465 A N 1.250 124.117 122.820 0.079 0.000 1.930 465 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 465 A C 1.984 179.664 177.584 0.159 0.000 1.175 465 A CA 1.116 53.239 52.037 0.143 0.000 0.627 465 A CB -0.374 18.678 19.000 0.087 0.000 0.815 465 A HN 0.264 nan 8.150 nan 0.000 0.443 466 N N 0.087 118.843 118.700 0.094 0.000 2.058 466 N HA -0.104 4.636 4.740 -0.000 0.000 0.191 466 N C 1.793 177.376 175.510 0.122 0.000 1.037 466 N CA 1.429 54.526 53.050 0.079 0.000 0.848 466 N CB -0.377 38.134 38.487 0.040 0.000 1.021 466 N HN 0.464 nan 8.380 nan 0.000 0.422 467 L N 0.122 121.430 121.223 0.141 0.000 2.042 467 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 467 L C 2.437 179.487 176.870 0.299 0.000 1.076 467 L CA 1.188 56.137 54.840 0.181 0.000 0.749 467 L CB -0.347 41.797 42.059 0.143 0.000 0.893 467 L HN 0.448 nan 8.230 nan 0.000 0.432 468 W N 0.948 122.284 121.300 0.061 0.000 2.355 468 W HA -0.278 4.382 4.660 -0.000 0.000 0.309 468 W C 2.730 179.341 176.519 0.153 0.000 1.206 468 W CA 1.199 58.591 57.345 0.079 0.000 1.284 468 W CB -0.076 29.397 29.460 0.023 0.000 1.145 468 W HN 0.094 nan 8.180 nan 0.000 0.502 469 R N 0.634 121.181 120.500 0.077 0.000 2.083 469 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 469 R C 2.099 178.388 176.300 -0.017 0.000 1.137 469 R CA 2.025 58.072 56.100 -0.088 0.000 0.951 469 R CB -0.776 29.512 30.300 -0.020 0.000 0.851 469 R HN 0.240 nan 8.270 nan 0.000 0.434 470 N N -0.379 118.368 118.700 0.078 0.000 2.149 470 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 470 N C 1.656 177.255 175.510 0.147 0.000 1.019 470 N CA 1.369 54.487 53.050 0.115 0.000 0.857 470 N CB -0.172 38.391 38.487 0.127 0.000 0.997 470 N HN 0.171 nan 8.380 nan 0.000 0.426 471 F N 2.086 122.054 119.950 0.030 0.000 2.113 471 F HA -0.061 4.466 4.527 -0.000 0.000 0.297 471 F C 2.116 177.872 175.800 -0.073 0.000 1.103 471 F CA 0.994 59.013 58.000 0.031 0.000 1.248 471 F CB -0.357 38.699 39.000 0.094 0.000 0.999 471 F HN -0.089 nan 8.300 nan 0.000 0.475 472 L N -1.056 120.014 121.223 -0.255 0.000 2.046 472 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 472 L C 2.387 179.124 176.870 -0.221 0.000 1.077 472 L CA 1.780 56.390 54.840 -0.383 0.000 0.747 472 L CB -1.014 40.758 42.059 -0.479 0.000 0.896 472 L HN 0.250 nan 8.230 nan 0.000 0.432 473 Y N -0.266 119.909 120.300 -0.209 0.000 2.200 473 Y HA -0.271 4.279 4.550 -0.000 0.000 0.290 473 Y C 2.986 178.824 175.900 -0.103 0.000 1.137 473 Y CA 1.749 59.764 58.100 -0.140 0.000 1.163 473 Y CB -0.003 38.389 38.460 -0.112 0.000 0.988 473 Y HN 0.114 nan 8.280 nan 0.000 0.518 474 S N -0.023 115.643 115.700 -0.057 0.000 2.368 474 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 474 S C 1.692 176.312 174.600 0.032 0.000 1.029 474 S CA 1.707 59.875 58.200 -0.054 0.000 0.988 474 S CB -0.367 62.868 63.200 0.058 0.000 0.838 474 S HN 0.611 nan 8.310 nan 0.000 0.462 475 N N 0.087 118.735 118.700 -0.088 0.000 2.409 475 N HA 0.244 4.984 4.740 -0.000 0.000 0.174 475 N C 1.513 177.054 175.510 0.051 0.000 1.037 475 N CA 0.879 53.938 53.050 0.014 0.000 0.898 475 N CB 0.224 38.465 38.487 -0.410 0.000 1.010 475 N HN 0.462 nan 8.380 nan 0.000 0.445 476 I N 0.297 120.806 120.570 -0.101 0.000 3.345 476 I HA 0.119 4.289 4.170 -0.000 0.000 0.258 476 I C 2.264 178.349 176.117 -0.054 0.000 1.134 476 I CA 0.179 61.444 61.300 -0.058 0.000 1.457 476 I CB -0.315 37.612 38.000 -0.121 0.000 1.425 476 I HN -0.136 nan 8.210 nan 0.000 0.461 477 A N 1.766 124.484 122.820 -0.170 0.000 1.859 477 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 477 A C 2.234 179.622 177.584 -0.327 0.000 1.209 477 A CA 1.885 53.774 52.037 -0.248 0.000 0.639 477 A CB -1.260 17.528 19.000 -0.354 0.000 0.835 477 A HN 0.396 nan 8.150 nan 0.000 0.450 478 L N -2.308 118.614 121.223 -0.501 0.000 2.353 478 L HA -0.184 4.156 4.340 -0.000 0.000 0.220 478 L C 1.917 178.505 176.870 -0.471 0.000 1.133 478 L CA 0.995 55.517 54.840 -0.529 0.000 0.798 478 L CB -0.360 41.320 42.059 -0.633 0.000 0.922 478 L HN 0.544 nan 8.230 nan 0.000 0.445 479 Y N -0.973 119.196 120.300 -0.219 0.000 2.457 479 Y HA 0.174 4.724 4.550 -0.000 0.000 0.263 479 Y C 1.064 176.900 175.900 -0.107 0.000 1.164 479 Y CA -0.590 57.426 58.100 -0.140 0.000 1.274 479 Y CB 0.078 38.489 38.460 -0.081 0.000 1.097 479 Y HN 0.013 nan 8.280 nan 0.000 0.523 480 L N 1.688 122.891 121.223 -0.033 0.000 2.483 480 L HA 0.052 4.392 4.340 -0.000 0.000 0.275 480 L C -1.912 174.915 176.870 -0.071 0.000 1.220 480 L CA -1.747 53.060 54.840 -0.054 0.000 0.833 480 L CB 0.142 42.130 42.059 -0.117 0.000 1.102 480 L HN -0.077 nan 8.230 nan 0.000 0.490 481 P HA -0.066 nan 4.420 nan 0.000 0.266 481 P C -0.070 177.185 177.300 -0.075 0.000 1.193 481 P CA 0.075 63.148 63.100 -0.045 0.000 0.770 481 P CB 0.492 32.170 31.700 -0.036 0.000 0.836 482 D N 2.440 122.822 120.400 -0.031 0.000 2.221 482 D HA -0.190 4.450 4.640 -0.000 0.000 0.204 482 D C 1.602 177.887 176.300 -0.026 0.000 0.982 482 D CA 1.320 55.307 54.000 -0.021 0.000 0.857 482 D CB -0.027 40.814 40.800 0.068 0.000 0.934 482 D HN 0.426 nan 8.370 nan 0.000 0.475 483 K N -0.050 120.334 120.400 -0.027 0.000 2.280 483 K HA -0.104 4.216 4.320 -0.000 0.000 0.202 483 K C 1.729 178.294 176.600 -0.057 0.000 1.047 483 K CA 0.889 57.161 56.287 -0.024 0.000 0.942 483 K CB -0.272 32.219 32.500 -0.015 0.000 0.739 483 K HN 0.247 nan 8.250 nan 0.000 0.457 484 L N 0.635 121.789 121.223 -0.116 0.000 2.592 484 L HA 0.139 4.479 4.340 -0.000 0.000 0.227 484 L C 0.699 177.527 176.870 -0.071 0.000 1.127 484 L CA 0.023 54.778 54.840 -0.142 0.000 0.884 484 L CB 0.038 41.927 42.059 -0.284 0.000 1.065 484 L HN 0.117 nan 8.230 nan 0.000 0.457 485 K N -0.053 120.306 120.400 -0.068 0.000 2.240 485 K HA 0.514 4.834 4.320 -0.000 0.000 0.237 485 K C -1.165 175.451 176.600 0.027 0.000 1.027 485 K CA -0.659 55.577 56.287 -0.084 0.000 0.937 485 K CB 1.413 33.797 32.500 -0.194 0.000 1.171 485 K HN -0.125 nan 8.250 nan 0.000 0.479 486 Y N -3.098 117.129 120.300 -0.122 0.000 2.552 486 Y HA 0.400 4.950 4.550 -0.000 0.000 0.337 486 Y C -0.906 174.922 175.900 -0.121 0.000 1.094 486 Y CA -1.189 56.849 58.100 -0.103 0.000 1.028 486 Y CB 1.018 39.424 38.460 -0.089 0.000 1.321 486 Y HN 0.322 nan 8.280 nan 0.000 0.456 487 S N 4.716 120.438 115.700 0.036 0.000 2.564 487 S HA 0.311 4.781 4.470 -0.000 0.000 0.278 487 S C -2.357 172.259 174.600 0.026 0.000 1.333 487 S CA -0.836 57.331 58.200 -0.056 0.000 1.048 487 S CB 0.279 63.474 63.200 -0.009 0.000 0.900 487 S HN 0.566 nan 8.310 nan 0.000 0.505 488 P HA 0.184 nan 4.420 nan 0.000 0.278 488 P C -0.764 176.554 177.300 0.031 0.000 1.238 488 P CA -0.538 62.560 63.100 -0.002 0.000 0.794 488 P CB 0.732 32.398 31.700 -0.056 0.000 0.955 489 S N 1.360 117.094 115.700 0.056 0.000 2.562 489 S HA 0.240 4.710 4.470 -0.000 0.000 0.275 489 S C 0.588 175.173 174.600 -0.025 0.000 1.281 489 S CA -0.566 57.647 58.200 0.022 0.000 1.045 489 S CB -0.048 63.172 63.200 0.034 0.000 0.962 489 S HN 0.552 nan 8.310 nan 0.000 0.503 490 N N -1.111 117.569 118.700 -0.033 0.000 2.800 490 N HA -0.130 4.610 4.740 -0.000 0.000 0.250 490 N C -0.949 174.529 175.510 -0.053 0.000 1.078 490 N CA 0.958 53.975 53.050 -0.056 0.000 0.804 490 N CB -1.643 36.785 38.487 -0.098 0.000 1.135 490 N HN 0.552 nan 8.380 nan 0.000 0.565 491 V N 0.647 120.539 119.914 -0.036 0.000 2.656 491 V HA 0.264 4.385 4.120 -0.000 0.000 0.307 491 V C 0.446 176.527 176.094 -0.022 0.000 1.051 491 V CA -0.965 61.318 62.300 -0.030 0.000 0.893 491 V CB 2.477 34.284 31.823 -0.026 0.000 0.999 491 V HN -0.034 nan 8.190 nan 0.000 0.426 492 K N 4.326 124.716 120.400 -0.016 0.000 2.379 492 K HA 0.538 4.859 4.320 -0.000 0.000 0.284 492 K C -0.677 175.915 176.600 -0.014 0.000 1.044 492 K CA 0.057 56.339 56.287 -0.009 0.000 0.974 492 K CB 1.174 33.672 32.500 -0.003 0.000 0.962 492 K HN 0.575 nan 8.250 nan 0.000 0.474 493 I N 1.189 121.755 120.570 -0.005 0.000 2.582 493 I HA 0.115 4.285 4.170 -0.000 0.000 0.292 493 I C -0.169 175.978 176.117 0.050 0.000 1.066 493 I CA -0.504 60.794 61.300 -0.003 0.000 1.053 493 I CB 2.063 40.039 38.000 -0.040 0.000 1.241 493 I HN 0.622 nan 8.210 nan 0.000 0.421 494 S N 3.803 119.547 115.700 0.073 0.000 2.566 494 S HA -0.003 4.467 4.470 -0.000 0.000 0.280 494 S C 0.534 175.204 174.600 0.117 0.000 1.343 494 S CA 0.457 58.709 58.200 0.086 0.000 1.036 494 S CB 0.661 63.909 63.200 0.079 0.000 0.866 494 S HN 0.750 nan 8.310 nan 0.000 0.526 495 D N 1.114 121.536 120.400 0.035 0.000 2.305 495 D HA 0.107 4.747 4.640 -0.000 0.000 0.206 495 D C 0.120 176.347 176.300 -0.121 0.000 0.974 495 D CA 0.388 54.380 54.000 -0.012 0.000 0.871 495 D CB 0.014 40.807 40.800 -0.012 0.000 0.947 495 D HN 0.415 nan 8.370 nan 0.000 0.516 496 N N 1.034 119.662 118.700 -0.120 0.000 2.406 496 N HA 0.060 4.800 4.740 -0.000 0.000 0.251 496 N C -1.880 173.400 175.510 -0.383 0.000 1.069 496 N CA -1.791 51.148 53.050 -0.186 0.000 0.947 496 N CB 1.424 39.860 38.487 -0.085 0.000 1.111 496 N HN -0.060 nan 8.380 nan 0.000 0.497 497 P HA -0.008 nan 4.420 nan 0.000 0.237 497 P C -0.072 177.044 177.300 -0.306 0.000 1.178 497 P CA 0.661 63.207 63.100 -0.922 0.000 0.766 497 P CB 0.493 31.745 31.700 -0.746 0.000 0.876 498 N N -0.649 117.951 118.700 -0.165 0.000 2.336 498 N HA 0.037 4.777 4.740 -0.000 0.000 0.189 498 N C 0.462 175.967 175.510 -0.009 0.000 1.113 498 N CA 0.423 53.443 53.050 -0.050 0.000 0.858 498 N CB -0.029 38.435 38.487 -0.038 0.000 0.970 498 N HN 0.098 nan 8.380 nan 0.000 0.471 499 T N -0.017 114.534 114.554 -0.005 0.000 2.913 499 T HA 0.065 4.415 4.350 -0.000 0.000 0.287 499 T C 1.054 175.809 174.700 0.092 0.000 1.008 499 T CA -0.385 61.746 62.100 0.052 0.000 1.067 499 T CB 1.357 70.255 68.868 0.050 0.000 0.996 499 T HN 0.164 nan 8.240 nan 0.000 0.513 500 Y N 2.018 122.303 120.300 -0.025 0.000 2.220 500 Y HA -0.108 4.442 4.550 -0.000 0.000 0.291 500 Y C 2.235 178.089 175.900 -0.076 0.000 1.129 500 Y CA 1.967 60.030 58.100 -0.062 0.000 1.161 500 Y CB -0.153 38.256 38.460 -0.085 0.000 0.997 500 Y HN 0.826 nan 8.280 nan 0.000 0.522 501 D N -0.872 119.525 120.400 -0.004 0.000 2.133 501 D HA -0.317 4.323 4.640 -0.000 0.000 0.195 501 D C 2.033 178.226 176.300 -0.178 0.000 0.997 501 D CA 1.844 55.775 54.000 -0.114 0.000 0.840 501 D CB -0.541 40.265 40.800 0.010 0.000 0.947 501 D HN 0.537 nan 8.370 nan 0.000 0.452 502 Y N 0.339 120.525 120.300 -0.191 0.000 2.163 502 Y HA -0.112 4.438 4.550 -0.000 0.000 0.288 502 Y C 2.129 177.878 175.900 -0.252 0.000 1.136 502 Y CA 1.616 59.606 58.100 -0.182 0.000 1.147 502 Y CB -0.141 38.249 38.460 -0.117 0.000 0.987 502 Y HN -0.002 nan 8.280 nan 0.000 0.509 503 M N -0.216 119.292 119.600 -0.154 0.000 2.460 503 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 503 M C 1.521 177.522 176.300 -0.498 0.000 1.071 503 M CA 1.554 56.680 55.300 -0.290 0.000 1.096 503 M CB -0.324 32.154 32.600 -0.204 0.000 1.408 503 M HN 0.277 nan 8.290 nan 0.000 0.463 504 N N 0.743 119.054 118.700 -0.648 0.000 2.409 504 N HA -0.018 4.722 4.740 -0.000 0.000 0.174 504 N C 1.277 176.393 175.510 -0.657 0.000 1.037 504 N CA 0.909 53.508 53.050 -0.753 0.000 0.898 504 N CB 0.306 38.147 38.487 -1.076 0.000 1.010 504 N HN 0.208 nan 8.380 nan 0.000 0.445 505 K N -0.592 119.484 120.400 -0.541 0.000 2.348 505 K HA 0.202 4.522 4.320 -0.000 0.000 0.194 505 K C -0.065 176.312 176.600 -0.371 0.000 1.052 505 K CA -0.241 55.805 56.287 -0.403 0.000 1.004 505 K CB 0.501 32.820 32.500 -0.303 0.000 0.873 505 K HN -0.021 nan 8.250 nan 0.000 0.523 506 R N 1.959 122.158 120.500 -0.501 0.000 2.502 506 R HA 0.011 4.351 4.340 -0.000 0.000 0.292 506 R C -0.217 175.821 176.300 -0.437 0.000 0.998 506 R CA 0.130 55.918 56.100 -0.519 0.000 1.056 506 R CB 0.601 30.527 30.300 -0.622 0.000 0.939 506 R HN -0.034 nan 8.270 nan 0.000 0.411 507 V N 3.915 123.507 119.914 -0.537 0.000 2.539 507 V HA 0.454 4.574 4.120 -0.000 0.000 0.292 507 V C -0.519 175.232 176.094 -0.572 0.000 1.045 507 V CA -0.623 61.346 62.300 -0.551 0.000 0.945 507 V CB 1.893 33.318 31.823 -0.663 0.000 0.993 507 V HN 0.449 nan 8.190 nan 0.000 0.464 508 V N 6.826 126.576 119.914 -0.273 0.000 2.604 508 V HA 0.876 4.996 4.120 -0.000 0.000 0.305 508 V C 0.386 176.509 176.094 0.049 0.000 1.043 508 V CA -0.074 62.148 62.300 -0.130 0.000 0.888 508 V CB 1.672 33.403 31.823 -0.152 0.000 0.995 508 V HN 1.491 nan 8.190 nan 0.000 0.429 509 A N 7.243 130.110 122.820 0.077 0.000 2.454 509 A HA 0.553 4.873 4.320 -0.000 0.000 0.260 509 A C -1.660 175.985 177.584 0.102 0.000 1.106 509 A CA -0.970 51.114 52.037 0.078 0.000 0.780 509 A CB 0.267 19.288 19.000 0.034 0.000 1.044 509 A HN 0.809 nan 8.150 nan 0.000 0.498 510 P HA -0.121 nan 4.420 nan 0.000 0.218 510 P C 1.590 178.913 177.300 0.037 0.000 1.148 510 P CA 1.705 64.856 63.100 0.086 0.000 0.822 510 P CB 0.203 31.830 31.700 -0.122 0.000 0.784 511 G N -0.757 108.062 108.800 0.033 0.000 2.586 511 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.215 511 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.215 511 G C 1.280 176.219 174.900 0.064 0.000 1.128 511 G CA 0.254 45.390 45.100 0.060 0.000 0.774 511 G HN 0.263 nan 8.290 nan 0.000 0.543 512 L N -0.366 120.887 121.223 0.050 0.000 2.240 512 L HA 0.112 4.452 4.340 -0.000 0.000 0.211 512 L C 0.591 177.502 176.870 0.070 0.000 1.106 512 L CA 0.402 55.284 54.840 0.070 0.000 0.793 512 L CB 0.341 42.423 42.059 0.038 0.000 0.927 512 L HN 0.026 nan 8.230 nan 0.000 0.446 513 V N -0.889 119.029 119.914 0.007 0.000 2.502 513 V HA 0.225 4.345 4.120 -0.000 0.000 0.261 513 V C -0.508 175.491 176.094 -0.158 0.000 0.996 513 V CA -0.605 61.667 62.300 -0.046 0.000 1.095 513 V CB 0.802 32.595 31.823 -0.050 0.000 1.325 513 V HN 0.068 nan 8.190 nan 0.000 0.574 514 D N 0.581 120.812 120.400 -0.282 0.000 2.387 514 D HA 0.155 4.795 4.640 -0.000 0.000 0.251 514 D C 1.437 177.426 176.300 -0.519 0.000 1.141 514 D CA -0.100 53.612 54.000 -0.479 0.000 0.987 514 D CB 2.273 42.588 40.800 -0.807 0.000 1.116 514 D HN 0.559 nan 8.370 nan 0.000 0.491 515 C N 0.530 119.590 119.300 -0.400 0.000 2.421 515 C HA -0.101 4.359 4.460 -0.000 0.000 0.296 515 C C 1.661 176.715 174.990 0.106 0.000 1.470 515 C CA -0.098 58.846 59.018 -0.124 0.000 1.779 515 C CB -2.314 25.514 27.740 0.147 0.000 1.715 515 C HN 0.566 nan 8.230 nan 0.000 0.564 516 Y N -1.350 119.038 120.300 0.145 0.000 2.555 516 Y HA 0.618 5.168 4.550 -0.000 0.000 0.259 516 Y C 0.557 176.514 175.900 0.094 0.000 1.179 516 Y CA -2.389 55.782 58.100 0.119 0.000 1.230 516 Y CB -1.142 37.361 38.460 0.073 0.000 1.146 516 Y HN 0.152 nan 8.280 nan 0.000 0.526 517 I N 3.017 123.635 120.570 0.080 0.000 2.517 517 I HA 0.105 4.275 4.170 -0.000 0.000 0.285 517 I C 0.372 176.578 176.117 0.148 0.000 1.106 517 I CA 0.157 61.532 61.300 0.125 0.000 1.402 517 I CB -0.151 37.879 38.000 0.051 0.000 1.399 517 I HN 0.426 nan 8.210 nan 0.000 0.535 518 N N 5.591 124.360 118.700 0.116 0.000 2.698 518 N HA -0.236 4.504 4.740 -0.000 0.000 0.258 518 N C -0.322 175.237 175.510 0.082 0.000 0.978 518 N CA 0.562 53.646 53.050 0.058 0.000 0.777 518 N CB -0.866 37.658 38.487 0.060 0.000 0.907 518 N HN 0.592 nan 8.380 nan 0.000 0.543 519 L N 0.076 121.355 121.223 0.093 0.000 2.578 519 L HA 0.030 4.370 4.340 -0.000 0.000 0.279 519 L C 1.661 178.564 176.870 0.055 0.000 1.227 519 L CA 1.219 56.118 54.840 0.099 0.000 0.900 519 L CB 0.173 42.291 42.059 0.099 0.000 1.144 519 L HN 0.623 nan 8.230 nan 0.000 0.496 520 G N 2.497 111.334 108.800 0.062 0.000 2.148 520 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.254 520 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.254 520 G C 0.095 175.023 174.900 0.047 0.000 0.981 520 G CA 0.111 45.238 45.100 0.045 0.000 0.670 520 G HN 1.015 nan 8.290 nan 0.000 0.528 521 A N -0.723 122.137 122.820 0.067 0.000 2.354 521 A HA 0.911 5.231 4.320 -0.000 0.000 0.321 521 A C 0.189 177.859 177.584 0.143 0.000 1.125 521 A CA -0.180 51.907 52.037 0.083 0.000 0.799 521 A CB 1.135 20.160 19.000 0.042 0.000 1.293 521 A HN 0.764 nan 8.150 nan 0.000 0.452 522 R N 1.466 122.067 120.500 0.168 0.000 2.287 522 R HA 0.371 4.711 4.340 -0.000 0.000 0.316 522 R C -1.627 174.844 176.300 0.285 0.000 1.050 522 R CA -0.197 56.005 56.100 0.171 0.000 0.983 522 R CB 0.534 30.899 30.300 0.108 0.000 1.140 522 R HN 0.767 nan 8.270 nan 0.000 0.528 523 W N 4.190 125.499 121.300 0.015 0.000 3.259 523 W HA 0.223 4.883 4.660 -0.000 0.000 0.331 523 W C -1.276 175.238 176.519 -0.008 0.000 1.144 523 W CA -0.613 56.732 57.345 -0.000 0.000 1.227 523 W CB 2.146 31.610 29.460 0.008 0.000 1.371 523 W HN 0.585 nan 8.180 nan 0.000 0.491 524 S N 4.832 120.262 115.700 -0.450 0.000 2.537 524 S HA 0.510 4.980 4.470 -0.000 0.000 0.275 524 S C -0.125 174.228 174.600 -0.411 0.000 1.272 524 S CA -0.670 57.315 58.200 -0.358 0.000 1.050 524 S CB 1.440 64.400 63.200 -0.399 0.000 0.961 524 S HN 0.429 nan 8.310 nan 0.000 0.496 525 L N 2.988 124.151 121.223 -0.100 0.000 2.499 525 L HA 0.061 4.401 4.340 -0.000 0.000 0.273 525 L C 1.088 177.919 176.870 -0.065 0.000 1.195 525 L CA -0.371 54.487 54.840 0.030 0.000 0.882 525 L CB 0.097 42.225 42.059 0.116 0.000 1.133 525 L HN 0.738 nan 8.230 nan 0.000 0.483 526 D N 1.885 122.257 120.400 -0.046 0.000 2.190 526 D HA -0.217 4.423 4.640 -0.000 0.000 0.200 526 D C 1.747 178.017 176.300 -0.050 0.000 0.992 526 D CA 1.699 55.640 54.000 -0.098 0.000 0.854 526 D CB 0.031 40.776 40.800 -0.092 0.000 0.936 526 D HN 0.509 nan 8.370 nan 0.000 0.462 527 Y N -0.176 120.153 120.300 0.049 0.000 2.293 527 Y HA -0.054 4.496 4.550 -0.000 0.000 0.291 527 Y C 2.251 178.164 175.900 0.022 0.000 1.137 527 Y CA 0.674 58.800 58.100 0.042 0.000 1.202 527 Y CB -0.194 38.293 38.460 0.045 0.000 0.990 527 Y HN -0.021 nan 8.280 nan 0.000 0.537 528 M N -0.823 118.861 119.600 0.140 0.000 2.509 528 M HA -0.022 4.458 4.480 -0.000 0.000 0.250 528 M C 1.014 177.308 176.300 -0.011 0.000 1.132 528 M CA 0.543 55.869 55.300 0.043 0.000 1.080 528 M CB -0.623 31.965 32.600 -0.020 0.000 1.408 528 M HN 0.137 nan 8.290 nan 0.000 0.484 529 D N 1.680 122.058 120.400 -0.036 0.000 2.133 529 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 529 D C 1.077 177.478 176.300 0.168 0.000 0.997 529 D CA 1.232 55.182 54.000 -0.084 0.000 0.840 529 D CB -0.191 40.509 40.800 -0.166 0.000 0.947 529 D HN 0.305 nan 8.370 nan 0.000 0.452 530 N N -0.151 118.694 118.700 0.241 0.000 2.313 530 N HA 0.043 4.783 4.740 -0.000 0.000 0.207 530 N C -0.576 175.148 175.510 0.357 0.000 1.141 530 N CA 0.004 53.259 53.050 0.342 0.000 0.830 530 N CB 0.942 39.565 38.487 0.226 0.000 1.008 530 N HN -0.002 nan 8.380 nan 0.000 0.481 531 V N 1.541 121.575 119.914 0.201 0.000 2.439 531 V HA 0.137 4.257 4.120 -0.000 0.000 0.282 531 V C 0.577 176.554 176.094 -0.195 0.000 1.039 531 V CA -1.173 61.177 62.300 0.084 0.000 0.913 531 V CB 1.434 33.282 31.823 0.043 0.000 0.983 531 V HN 0.193 nan 8.190 nan 0.000 0.460 532 N N 7.809 126.286 118.700 -0.372 0.000 2.386 532 N HA 0.007 4.747 4.740 -0.000 0.000 0.273 532 N C -1.158 174.076 175.510 -0.461 0.000 1.331 532 N CA -1.047 51.471 53.050 -0.887 0.000 0.891 532 N CB 1.303 39.638 38.487 -0.254 0.000 1.139 532 N HN 0.406 nan 8.380 nan 0.000 0.487 533 P HA -0.062 nan 4.420 nan 0.000 0.229 533 P C 0.845 177.846 177.300 -0.497 0.000 1.160 533 P CA 0.909 63.627 63.100 -0.638 0.000 0.777 533 P CB 0.017 31.076 31.700 -1.067 0.000 0.814 534 F N 0.208 120.134 119.950 -0.039 0.000 2.512 534 F HA 0.072 4.599 4.527 -0.000 0.000 0.296 534 F C 1.194 177.045 175.800 0.085 0.000 1.110 534 F CA 0.290 58.340 58.000 0.082 0.000 1.446 534 F CB -0.995 38.070 39.000 0.109 0.000 1.092 534 F HN -0.154 nan 8.300 nan 0.000 0.554 535 N N 1.244 120.070 118.700 0.211 0.000 2.895 535 N HA -0.010 4.730 4.740 -0.000 0.000 0.277 535 N C -0.659 174.978 175.510 0.213 0.000 1.185 535 N CA 0.376 53.554 53.050 0.214 0.000 1.106 535 N CB -0.575 38.044 38.487 0.220 0.000 1.422 535 N HN 0.278 nan 8.380 nan 0.000 0.521 536 H N 0.588 119.687 119.070 0.048 0.000 3.012 536 H HA 0.063 4.619 4.556 -0.000 0.000 0.367 536 H C 0.828 176.199 175.328 0.072 0.000 1.211 536 H CA -0.392 55.582 56.048 -0.124 0.000 1.139 536 H CB 1.250 30.739 29.762 -0.455 0.000 1.838 536 H HN 0.451 nan 8.280 nan 0.000 0.550 537 H N 2.587 121.698 119.070 0.068 0.000 2.559 537 H HA 0.081 4.637 4.556 -0.000 0.000 0.273 537 H C 0.365 175.889 175.328 0.326 0.000 1.000 537 H CA 0.337 56.576 56.048 0.317 0.000 1.195 537 H CB 0.266 30.197 29.762 0.282 0.000 1.368 537 H HN 0.358 nan 8.280 nan 0.000 0.592 538 R N 1.087 121.615 120.500 0.045 0.000 2.466 538 R HA 0.076 4.416 4.340 -0.000 0.000 0.279 538 R C -0.005 176.292 176.300 -0.004 0.000 0.976 538 R CA -0.173 55.904 56.100 -0.038 0.000 1.081 538 R CB -0.064 30.127 30.300 -0.181 0.000 1.215 538 R HN 0.386 nan 8.270 nan 0.000 0.546 539 N N 0.706 119.439 118.700 0.054 0.000 2.415 539 N HA 0.061 4.801 4.740 -0.000 0.000 0.250 539 N C 1.027 176.557 175.510 0.033 0.000 1.127 539 N CA -0.242 52.851 53.050 0.071 0.000 0.945 539 N CB 1.034 39.605 38.487 0.140 0.000 1.196 539 N HN 0.083 nan 8.380 nan 0.000 0.499 540 A N 3.663 126.513 122.820 0.049 0.000 1.908 540 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 540 A C 2.028 179.659 177.584 0.080 0.000 1.181 540 A CA 1.860 53.946 52.037 0.082 0.000 0.627 540 A CB -1.085 17.997 19.000 0.137 0.000 0.818 540 A HN 0.783 nan 8.150 nan 0.000 0.445 541 G N -0.114 108.716 108.800 0.050 0.000 2.459 541 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 541 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 541 G C 1.494 176.347 174.900 -0.077 0.000 1.183 541 G CA 1.278 46.313 45.100 -0.109 0.000 0.776 541 G HN 0.584 nan 8.290 nan 0.000 0.552 542 L N 0.714 121.928 121.223 -0.015 0.000 2.046 542 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 542 L C 2.675 179.498 176.870 -0.078 0.000 1.077 542 L CA 2.280 57.115 54.840 -0.008 0.000 0.747 542 L CB -0.764 41.327 42.059 0.054 0.000 0.896 542 L HN 0.260 nan 8.230 nan 0.000 0.432 543 R N -1.851 118.528 120.500 -0.202 0.000 2.091 543 R HA -0.269 4.071 4.340 -0.000 0.000 0.238 543 R C 2.422 178.622 176.300 -0.167 0.000 1.136 543 R CA 2.055 57.870 56.100 -0.475 0.000 0.959 543 R CB -0.663 29.328 30.300 -0.516 0.000 0.856 543 R HN 0.576 nan 8.270 nan 0.000 0.437 544 Y N 0.669 120.871 120.300 -0.163 0.000 2.163 544 Y HA -0.168 4.382 4.550 -0.000 0.000 0.288 544 Y C 2.139 177.983 175.900 -0.094 0.000 1.136 544 Y CA 1.763 59.800 58.100 -0.106 0.000 1.147 544 Y CB -0.018 38.332 38.460 -0.183 0.000 0.987 544 Y HN -0.038 nan 8.280 nan 0.000 0.509 545 R N -0.526 119.940 120.500 -0.056 0.000 2.148 545 R HA -0.133 4.207 4.340 -0.000 0.000 0.227 545 R C 2.747 179.008 176.300 -0.065 0.000 1.103 545 R CA 1.208 57.253 56.100 -0.092 0.000 0.983 545 R CB -0.440 29.841 30.300 -0.031 0.000 0.874 545 R HN 0.298 nan 8.270 nan 0.000 0.451 546 S N 0.162 115.853 115.700 -0.014 0.000 2.357 546 S HA -0.084 4.386 4.470 -0.000 0.000 0.221 546 S C 1.805 176.459 174.600 0.090 0.000 1.031 546 S CA 1.039 59.296 58.200 0.095 0.000 0.982 546 S CB 0.054 63.433 63.200 0.299 0.000 0.853 546 S HN 0.215 nan 8.310 nan 0.000 0.458 547 M N 0.491 120.105 119.600 0.023 0.000 2.492 547 M HA 0.074 4.554 4.480 -0.000 0.000 0.262 547 M C 1.729 177.976 176.300 -0.088 0.000 1.090 547 M CA 0.394 55.703 55.300 0.015 0.000 1.110 547 M CB -0.194 32.411 32.600 0.008 0.000 1.407 547 M HN 0.284 nan 8.290 nan 0.000 0.470 548 L N 0.396 121.494 121.223 -0.208 0.000 2.141 548 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 548 L C 1.926 178.767 176.870 -0.048 0.000 1.094 548 L CA 1.736 56.444 54.840 -0.220 0.000 0.763 548 L CB -0.379 41.494 42.059 -0.310 0.000 0.908 548 L HN 0.284 nan 8.230 nan 0.000 0.437 549 L N -1.887 119.337 121.223 0.001 0.000 2.209 549 L HA 0.304 4.644 4.340 -0.000 0.000 0.207 549 L C 1.093 177.994 176.870 0.052 0.000 1.094 549 L CA 0.455 55.328 54.840 0.054 0.000 0.790 549 L CB -0.324 41.749 42.059 0.023 0.000 0.932 549 L HN 0.410 nan 8.230 nan 0.000 0.447 550 G N -0.055 108.778 108.800 0.056 0.000 2.346 550 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.294 550 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.294 550 G C -0.628 174.372 174.900 0.166 0.000 1.294 550 G CA -0.045 45.108 45.100 0.088 0.000 0.962 550 G HN 0.073 nan 8.290 nan 0.000 0.508 551 N N -0.043 118.768 118.700 0.186 0.000 2.187 551 N HA 0.339 5.079 4.740 -0.000 0.000 0.212 551 N C 0.717 176.430 175.510 0.338 0.000 1.152 551 N CA 0.762 53.974 53.050 0.270 0.000 0.872 551 N CB 1.151 39.733 38.487 0.159 0.000 1.025 551 N HN 1.069 nan 8.380 nan 0.000 0.514 552 G N 0.196 109.155 108.800 0.266 0.000 2.489 552 G HA2 0.326 4.286 3.960 -0.000 0.000 0.327 552 G HA3 0.326 4.286 3.960 -0.000 0.000 0.327 552 G C 0.419 175.371 174.900 0.087 0.000 1.189 552 G CA -0.789 44.437 45.100 0.209 0.000 0.962 552 G HN 0.137 nan 8.290 nan 0.000 0.486 553 R N -0.772 119.705 120.500 -0.038 0.000 2.075 553 R HA -0.007 4.333 4.340 -0.000 0.000 0.232 553 R C -0.254 175.778 176.300 -0.446 0.000 1.126 553 R CA 0.826 56.727 56.100 -0.333 0.000 0.963 553 R CB -0.238 29.741 30.300 -0.534 0.000 0.858 553 R HN 0.456 nan 8.270 nan 0.000 0.435 554 Y N 0.633 120.926 120.300 -0.013 0.000 2.383 554 Y HA 0.366 4.916 4.550 -0.000 0.000 0.344 554 Y C -0.590 175.310 175.900 -0.001 0.000 0.986 554 Y CA -0.778 57.314 58.100 -0.013 0.000 1.175 554 Y CB 1.735 40.198 38.460 0.004 0.000 1.152 554 Y HN -0.243 nan 8.280 nan 0.000 0.511 555 V N 6.124 126.124 119.914 0.143 0.000 2.524 555 V HA 0.384 4.504 4.120 -0.000 0.000 0.297 555 V C -2.497 173.708 176.094 0.184 0.000 1.035 555 V CA -2.014 60.366 62.300 0.133 0.000 0.867 555 V CB 2.268 34.142 31.823 0.085 0.000 1.004 555 V HN 0.544 nan 8.190 nan 0.000 0.426 556 P HA 0.371 nan 4.420 nan 0.000 0.292 556 P C -0.929 176.436 177.300 0.108 0.000 1.326 556 P CA -0.173 62.953 63.100 0.042 0.000 0.787 556 P CB 0.667 32.368 31.700 0.001 0.000 0.903 557 F N 1.201 121.227 119.950 0.127 0.000 2.440 557 F HA 0.650 5.177 4.527 -0.000 0.000 0.328 557 F C -0.377 175.531 175.800 0.181 0.000 1.070 557 F CA -1.162 56.944 58.000 0.177 0.000 1.011 557 F CB 1.425 40.600 39.000 0.292 0.000 1.226 557 F HN 0.403 nan 8.300 nan 0.000 0.491 558 H N 3.881 123.093 119.070 0.237 0.000 3.181 558 H HA 0.581 5.137 4.556 -0.000 0.000 0.331 558 H C -1.479 173.914 175.328 0.108 0.000 0.988 558 H CA -0.915 55.191 56.048 0.098 0.000 1.449 558 H CB 1.423 31.201 29.762 0.026 0.000 1.749 558 H HN 0.895 nan 8.280 nan 0.000 0.501 559 I N 0.955 121.645 120.570 0.200 0.000 3.145 559 I HA 0.534 4.704 4.170 -0.000 0.000 0.313 559 I C -1.556 174.476 176.117 -0.141 0.000 1.122 559 I CA -1.272 59.974 61.300 -0.090 0.000 0.987 559 I CB 2.679 40.462 38.000 -0.363 0.000 1.236 559 I HN 0.390 nan 8.210 nan 0.000 0.453 560 Q N 2.390 122.068 119.800 -0.204 0.000 2.333 560 Q HA 0.628 4.968 4.340 -0.000 0.000 0.268 560 Q C -1.218 174.837 176.000 0.092 0.000 1.007 560 Q CA -0.546 55.191 55.803 -0.110 0.000 0.810 560 Q CB 2.537 30.944 28.738 -0.552 0.000 1.264 560 Q HN 0.549 nan 8.270 nan 0.000 0.452 561 V N 4.852 124.872 119.914 0.176 0.000 2.417 561 V HA 0.577 4.697 4.120 -0.000 0.000 0.291 561 V C -2.137 174.076 176.094 0.198 0.000 1.024 561 V CA -1.831 60.575 62.300 0.176 0.000 0.861 561 V CB 1.558 33.432 31.823 0.084 0.000 0.985 561 V HN 0.710 nan 8.190 nan 0.000 0.436 562 P HA 0.269 nan 4.420 nan 0.000 0.279 562 P C -1.251 175.890 177.300 -0.265 0.000 1.252 562 P CA -0.618 62.249 63.100 -0.388 0.000 0.811 562 P CB 1.327 32.450 31.700 -0.961 0.000 1.035 563 Q N 1.369 120.998 119.800 -0.285 0.000 2.274 563 Q HA 0.187 4.527 4.340 -0.000 0.000 0.256 563 Q C 0.316 176.175 176.000 -0.236 0.000 0.927 563 Q CA 0.452 56.117 55.803 -0.230 0.000 0.939 563 Q CB 0.869 29.474 28.738 -0.221 0.000 1.201 563 Q HN 0.295 nan 8.270 nan 0.000 0.426 564 K N 3.411 123.706 120.400 -0.176 0.000 2.380 564 K HA 0.152 4.472 4.320 -0.000 0.000 0.198 564 K C -0.330 176.193 176.600 -0.128 0.000 1.070 564 K CA -0.268 55.817 56.287 -0.337 0.000 1.040 564 K CB 0.420 32.507 32.500 -0.689 0.000 0.903 564 K HN 0.478 nan 8.250 nan 0.000 0.549 565 F N 2.847 122.723 119.950 -0.124 0.000 2.590 565 F HA -0.078 4.449 4.527 -0.000 0.000 0.389 565 F C 1.111 176.898 175.800 -0.023 0.000 1.049 565 F CA -1.127 56.885 58.000 0.019 0.000 1.199 565 F CB 0.198 39.341 39.000 0.238 0.000 1.058 565 F HN 0.057 nan 8.300 nan 0.000 0.556 566 F N 4.303 123.929 119.950 -0.539 0.000 2.161 566 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 566 F C 1.768 177.323 175.800 -0.409 0.000 1.089 566 F CA 1.336 59.105 58.000 -0.385 0.000 1.282 566 F CB -1.211 37.621 39.000 -0.281 0.000 1.010 566 F HN 0.391 nan 8.300 nan 0.000 0.485 567 A N 1.192 123.065 122.820 -1.578 0.000 2.067 567 A HA 0.036 4.356 4.320 -0.000 0.000 0.219 567 A C 2.102 179.383 177.584 -0.506 0.000 1.158 567 A CA 1.636 53.109 52.037 -0.939 0.000 0.661 567 A CB -1.117 17.457 19.000 -0.709 0.000 0.801 567 A HN 0.796 nan 8.150 nan 0.000 0.452 568 I N -4.743 115.615 120.570 -0.353 0.000 4.526 568 I HA 0.216 4.386 4.170 -0.000 0.000 0.330 568 I C 1.620 177.538 176.117 -0.332 0.000 1.323 568 I CA 0.546 61.669 61.300 -0.294 0.000 1.218 568 I CB 0.000 37.956 38.000 -0.074 0.000 1.233 568 I HN 0.140 nan 8.210 nan 0.000 0.430 569 K N 1.975 122.196 120.400 -0.299 0.000 2.152 569 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 569 K C 0.562 177.020 176.600 -0.236 0.000 1.048 569 K CA 1.924 58.077 56.287 -0.223 0.000 0.933 569 K CB -0.177 32.244 32.500 -0.132 0.000 0.721 569 K HN 0.410 nan 8.250 nan 0.000 0.447 570 N N 0.813 119.292 118.700 -0.369 0.000 2.238 570 N HA 0.071 4.811 4.740 -0.000 0.000 0.235 570 N C -0.630 174.749 175.510 -0.219 0.000 1.209 570 N CA -0.314 52.605 53.050 -0.217 0.000 0.879 570 N CB 0.573 39.031 38.487 -0.048 0.000 1.136 570 N HN 0.115 nan 8.380 nan 0.000 0.517 571 L N 1.619 122.609 121.223 -0.388 0.000 2.453 571 L HA 0.203 4.543 4.340 -0.000 0.000 0.272 571 L C -0.203 176.622 176.870 -0.076 0.000 1.182 571 L CA -0.227 54.501 54.840 -0.188 0.000 0.858 571 L CB 0.513 42.413 42.059 -0.265 0.000 1.120 571 L HN -0.023 nan 8.230 nan 0.000 0.474 572 L N 5.873 127.111 121.223 0.025 0.000 2.259 572 L HA 0.422 4.762 4.340 -0.000 0.000 0.288 572 L C -0.837 176.005 176.870 -0.047 0.000 1.051 572 L CA 0.088 54.920 54.840 -0.014 0.000 0.824 572 L CB 0.607 42.681 42.059 0.026 0.000 1.206 572 L HN 0.592 nan 8.230 nan 0.000 0.429 573 L N 5.723 126.879 121.223 -0.112 0.000 2.290 573 L HA 0.390 4.730 4.340 -0.000 0.000 0.284 573 L C -0.057 176.799 176.870 -0.024 0.000 1.078 573 L CA 0.226 54.969 54.840 -0.161 0.000 0.815 573 L CB 1.002 42.854 42.059 -0.346 0.000 1.162 573 L HN 0.557 nan 8.230 nan 0.000 0.435 574 L N 4.533 125.781 121.223 0.041 0.000 2.469 574 L HA 0.452 4.792 4.340 -0.000 0.000 0.253 574 L C -2.006 175.000 176.870 0.227 0.000 1.143 574 L CA -2.106 52.805 54.840 0.119 0.000 0.804 574 L CB 0.101 42.216 42.059 0.092 0.000 1.214 574 L HN 0.367 nan 8.230 nan 0.000 0.476 575 P HA 0.152 nan 4.420 nan 0.000 0.265 575 P C -0.171 177.216 177.300 0.145 0.000 1.187 575 P CA 0.483 63.681 63.100 0.163 0.000 0.766 575 P CB 0.512 32.263 31.700 0.086 0.000 0.820 576 G N 0.642 109.484 108.800 0.069 0.000 2.368 576 G HA2 0.243 4.203 3.960 -0.000 0.000 0.302 576 G HA3 0.243 4.203 3.960 -0.000 0.000 0.302 576 G C -1.453 173.235 174.900 -0.354 0.000 1.329 576 G CA -0.606 44.375 45.100 -0.199 0.000 0.935 576 G HN 0.340 nan 8.290 nan 0.000 0.590 577 S N -0.230 115.145 115.700 -0.540 0.000 2.454 577 S HA 0.805 5.275 4.470 -0.000 0.000 0.306 577 S C -1.302 172.940 174.600 -0.596 0.000 1.100 577 S CA -0.346 57.635 58.200 -0.365 0.000 1.087 577 S CB 0.833 63.942 63.200 -0.152 0.000 1.019 577 S HN 0.491 nan 8.310 nan 0.000 0.480 578 Y N 0.340 120.644 120.300 0.007 0.000 2.499 578 Y HA 0.500 5.050 4.550 -0.000 0.000 0.347 578 Y C 0.629 176.562 175.900 0.055 0.000 0.987 578 Y CA -1.000 57.111 58.100 0.019 0.000 1.044 578 Y CB 1.458 39.910 38.460 -0.013 0.000 1.245 578 Y HN 0.442 nan 8.280 nan 0.000 0.461 579 T N 2.649 117.344 114.554 0.235 0.000 2.743 579 T HA 0.295 4.645 4.350 -0.000 0.000 0.293 579 T C -1.511 173.394 174.700 0.342 0.000 0.945 579 T CA -0.201 62.033 62.100 0.223 0.000 1.030 579 T CB -0.293 68.662 68.868 0.146 0.000 0.912 579 T HN 0.635 nan 8.240 nan 0.000 0.483 580 Y N 4.442 124.877 120.300 0.224 0.000 2.345 580 Y HA 0.499 5.049 4.550 -0.000 0.000 0.331 580 Y C -0.198 175.950 175.900 0.414 0.000 0.959 580 Y CA -0.898 57.382 58.100 0.299 0.000 1.204 580 Y CB 0.801 39.410 38.460 0.247 0.000 1.135 580 Y HN 0.689 nan 8.280 nan 0.000 0.477 581 E N 6.694 127.116 120.200 0.369 0.000 2.293 581 E HA 0.251 4.601 4.350 -0.000 0.000 0.270 581 E C -1.988 174.687 176.600 0.126 0.000 0.879 581 E CA -0.607 55.901 56.400 0.180 0.000 0.756 581 E CB 1.851 31.584 29.700 0.054 0.000 1.208 581 E HN 0.724 nan 8.360 nan 0.000 0.428 582 W N 2.664 123.860 121.300 -0.174 0.000 3.118 582 W HA 0.398 5.058 4.660 -0.000 0.000 0.328 582 W C -1.197 175.120 176.519 -0.337 0.000 1.239 582 W CA -0.622 56.520 57.345 -0.339 0.000 1.176 582 W CB 2.210 31.321 29.460 -0.581 0.000 1.433 582 W HN 0.526 nan 8.180 nan 0.000 0.562 583 N N 2.033 120.490 118.700 -0.405 0.000 2.361 583 N HA 0.504 5.244 4.740 -0.000 0.000 0.302 583 N C -1.536 173.916 175.510 -0.097 0.000 1.074 583 N CA -0.244 52.729 53.050 -0.128 0.000 0.850 583 N CB 1.782 40.131 38.487 -0.230 0.000 1.228 583 N HN 0.041 nan 8.380 nan 0.000 0.491 584 F N 0.504 120.637 119.950 0.305 0.000 2.532 584 F HA 0.471 4.998 4.527 -0.000 0.000 0.321 584 F C 0.984 177.004 175.800 0.367 0.000 1.089 584 F CA -0.873 57.258 58.000 0.219 0.000 0.926 584 F CB 1.460 40.425 39.000 -0.059 0.000 1.168 584 F HN 0.037 nan 8.300 nan 0.000 0.459 585 R N 1.593 122.286 120.500 0.323 0.000 2.531 585 R HA 0.368 4.708 4.340 -0.000 0.000 0.273 585 R C 0.355 176.938 176.300 0.473 0.000 1.070 585 R CA -0.503 55.770 56.100 0.288 0.000 1.112 585 R CB 1.152 31.428 30.300 -0.041 0.000 1.049 585 R HN 0.701 nan 8.270 nan 0.000 0.508 586 K N 0.430 121.076 120.400 0.410 0.000 2.402 586 K HA 0.020 4.340 4.320 -0.000 0.000 0.203 586 K C -0.337 176.388 176.600 0.209 0.000 1.077 586 K CA -0.106 56.344 56.287 0.272 0.000 1.051 586 K CB 0.514 33.148 32.500 0.223 0.000 0.907 586 K HN 0.475 nan 8.250 nan 0.000 0.554 587 D N 2.097 122.666 120.400 0.283 0.000 2.363 587 D HA -0.044 4.596 4.640 -0.000 0.000 0.263 587 D C 1.375 177.784 176.300 0.182 0.000 1.258 587 D CA -0.081 54.093 54.000 0.290 0.000 0.907 587 D CB 1.224 42.239 40.800 0.357 0.000 1.107 587 D HN -0.046 nan 8.370 nan 0.000 0.495 588 V N 2.303 122.292 119.914 0.126 0.000 2.568 588 V HA -0.210 3.909 4.120 -0.000 0.000 0.253 588 V C 1.586 177.714 176.094 0.058 0.000 1.072 588 V CA 1.353 63.685 62.300 0.054 0.000 1.084 588 V CB -0.602 31.221 31.823 -0.001 0.000 0.676 588 V HN 0.395 nan 8.190 nan 0.000 0.469 589 N N -0.295 118.468 118.700 0.105 0.000 2.459 589 N HA 0.063 4.803 4.740 -0.000 0.000 0.181 589 N C 1.527 177.174 175.510 0.229 0.000 1.046 589 N CA 1.300 54.417 53.050 0.113 0.000 0.904 589 N CB -0.036 38.519 38.487 0.114 0.000 0.964 589 N HN 0.458 nan 8.380 nan 0.000 0.444 590 M N -0.626 119.091 119.600 0.194 0.000 2.718 590 M HA 0.096 4.576 4.480 -0.000 0.000 0.259 590 M C 2.055 178.444 176.300 0.149 0.000 1.240 590 M CA 0.646 56.042 55.300 0.161 0.000 1.210 590 M CB -0.815 31.833 32.600 0.079 0.000 1.281 590 M HN 0.005 nan 8.290 nan 0.000 0.515 591 V N -1.495 118.515 119.914 0.161 0.000 2.951 591 V HA 0.159 4.279 4.120 -0.000 0.000 0.255 591 V C 1.048 177.256 176.094 0.190 0.000 1.088 591 V CA 0.455 62.896 62.300 0.234 0.000 1.109 591 V CB -0.499 31.511 31.823 0.311 0.000 0.724 591 V HN 0.188 nan 8.190 nan 0.000 0.471 592 L N 0.851 122.101 121.223 0.045 0.000 2.334 592 L HA 0.641 4.981 4.340 -0.000 0.000 0.270 592 L C -0.378 176.471 176.870 -0.035 0.000 1.018 592 L CA -0.395 54.398 54.840 -0.078 0.000 0.811 592 L CB 1.779 43.730 42.059 -0.180 0.000 1.271 592 L HN 0.267 nan 8.230 nan 0.000 0.443 593 Q N 1.062 120.829 119.800 -0.055 0.000 2.331 593 Q HA 0.525 4.865 4.340 -0.000 0.000 0.272 593 Q C -1.476 174.509 176.000 -0.024 0.000 1.062 593 Q CA -0.539 55.245 55.803 -0.033 0.000 0.806 593 Q CB 2.587 31.333 28.738 0.014 0.000 1.312 593 Q HN 0.771 nan 8.270 nan 0.000 0.431 594 S N 0.599 116.279 115.700 -0.034 0.000 2.600 594 S HA 0.403 4.873 4.470 -0.000 0.000 0.300 594 S C 0.565 175.206 174.600 0.068 0.000 1.087 594 S CA -0.079 58.134 58.200 0.022 0.000 0.965 594 S CB 1.701 64.889 63.200 -0.020 0.000 1.089 594 S HN 0.719 nan 8.310 nan 0.000 0.496 595 S N 0.969 116.760 115.700 0.151 0.000 2.436 595 S HA 0.010 4.480 4.470 -0.000 0.000 0.228 595 S C 1.360 176.070 174.600 0.184 0.000 1.014 595 S CA 0.245 58.569 58.200 0.205 0.000 0.950 595 S CB -0.541 62.853 63.200 0.323 0.000 0.784 595 S HN 0.495 nan 8.310 nan 0.000 0.504 596 L N 1.516 122.812 121.223 0.123 0.000 2.375 596 L HA 0.390 4.730 4.340 -0.000 0.000 0.215 596 L C 1.935 178.841 176.870 0.061 0.000 1.108 596 L CA 1.161 56.057 54.840 0.094 0.000 0.830 596 L CB -1.283 40.817 42.059 0.069 0.000 0.959 596 L HN 0.590 nan 8.230 nan 0.000 0.457 597 G N 0.139 108.929 108.800 -0.016 0.000 2.143 597 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.248 597 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.248 597 G C 0.390 175.214 174.900 -0.127 0.000 0.991 597 G CA 0.462 45.458 45.100 -0.174 0.000 0.689 597 G HN 0.554 nan 8.290 nan 0.000 0.522 598 N N 0.502 119.179 118.700 -0.039 0.000 2.371 598 N HA 0.240 4.980 4.740 -0.000 0.000 0.243 598 N C -0.381 175.094 175.510 -0.058 0.000 1.287 598 N CA -0.052 52.993 53.050 -0.007 0.000 0.911 598 N CB 0.608 39.132 38.487 0.062 0.000 1.142 598 N HN 0.115 nan 8.380 nan 0.000 0.451 599 D N 0.584 120.963 120.400 -0.036 0.000 2.348 599 D HA 0.070 4.710 4.640 -0.000 0.000 0.259 599 D C 1.037 177.315 176.300 -0.036 0.000 1.296 599 D CA -0.206 53.763 54.000 -0.051 0.000 0.931 599 D CB 0.020 40.803 40.800 -0.029 0.000 1.067 599 D HN 0.481 nan 8.370 nan 0.000 0.503 600 L N 3.731 124.922 121.223 -0.053 0.000 2.362 600 L HA -0.066 4.274 4.340 -0.000 0.000 0.219 600 L C 2.403 179.264 176.870 -0.016 0.000 1.134 600 L CA 0.450 55.264 54.840 -0.043 0.000 0.807 600 L CB -0.114 41.908 42.059 -0.061 0.000 0.927 600 L HN 0.303 nan 8.230 nan 0.000 0.447 601 R N -0.618 119.887 120.500 0.007 0.000 2.090 601 R HA -0.057 4.283 4.340 -0.000 0.000 0.228 601 R C 2.176 178.491 176.300 0.025 0.000 1.110 601 R CA 0.973 57.095 56.100 0.038 0.000 0.973 601 R CB -0.448 29.899 30.300 0.079 0.000 0.869 601 R HN 0.203 nan 8.270 nan 0.000 0.440 602 V N 1.558 121.481 119.914 0.016 0.000 2.535 602 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 602 V C 0.806 176.904 176.094 0.008 0.000 1.045 602 V CA 1.459 63.767 62.300 0.014 0.000 1.058 602 V CB -0.195 31.635 31.823 0.012 0.000 0.689 602 V HN 0.165 nan 8.190 nan 0.000 0.461 603 D N 0.511 120.910 120.400 -0.001 0.000 2.519 603 D HA 0.229 4.869 4.640 -0.000 0.000 0.238 603 D C 1.614 177.896 176.300 -0.030 0.000 1.192 603 D CA 0.875 54.868 54.000 -0.011 0.000 0.835 603 D CB -0.084 40.708 40.800 -0.014 0.000 0.975 603 D HN 0.457 nan 8.370 nan 0.000 0.490 604 G N 0.611 109.400 108.800 -0.017 0.000 2.166 604 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 604 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 604 G C 0.644 175.523 174.900 -0.034 0.000 0.986 604 G CA 0.304 45.393 45.100 -0.019 0.000 0.683 604 G HN 0.617 nan 8.290 nan 0.000 0.527 605 A N -0.546 122.245 122.820 -0.049 0.000 2.462 605 A HA 0.743 5.063 4.320 -0.000 0.000 0.243 605 A C 0.657 178.211 177.584 -0.050 0.000 1.076 605 A CA 1.103 53.096 52.037 -0.074 0.000 0.773 605 A CB 0.902 19.846 19.000 -0.093 0.000 1.010 605 A HN 1.646 nan 8.150 nan 0.000 0.493 606 S N 0.926 116.592 115.700 -0.056 0.000 2.546 606 S HA 0.721 5.191 4.470 -0.000 0.000 0.274 606 S C -1.143 173.426 174.600 -0.050 0.000 1.121 606 S CA -0.519 57.659 58.200 -0.037 0.000 0.887 606 S CB 0.917 64.113 63.200 -0.007 0.000 1.094 606 S HN 1.005 nan 8.310 nan 0.000 0.474 607 I N 2.840 123.367 120.570 -0.070 0.000 2.722 607 I HA 0.603 4.773 4.170 -0.000 0.000 0.295 607 I C -1.565 174.433 176.117 -0.199 0.000 1.161 607 I CA -0.566 60.674 61.300 -0.100 0.000 1.032 607 I CB 1.892 39.794 38.000 -0.162 0.000 1.244 607 I HN 0.733 nan 8.210 nan 0.000 0.421 608 K N 6.668 126.964 120.400 -0.174 0.000 2.468 608 K HA 0.492 4.812 4.320 -0.000 0.000 0.252 608 K C -1.991 174.465 176.600 -0.240 0.000 0.932 608 K CA -0.516 55.633 56.287 -0.229 0.000 0.794 608 K CB 1.576 34.022 32.500 -0.090 0.000 1.241 608 K HN 0.491 nan 8.250 nan 0.000 0.428 609 F N 3.783 123.672 119.950 -0.101 0.000 2.371 609 F HA 0.165 4.692 4.527 -0.000 0.000 0.363 609 F C 0.944 176.569 175.800 -0.291 0.000 1.122 609 F CA -0.739 57.083 58.000 -0.297 0.000 1.129 609 F CB 1.259 39.819 39.000 -0.733 0.000 1.173 609 F HN 0.636 nan 8.300 nan 0.000 0.489 610 D N 0.992 121.357 120.400 -0.059 0.000 2.149 610 D HA -0.042 4.598 4.640 -0.000 0.000 0.206 610 D C 0.738 177.017 176.300 -0.035 0.000 0.967 610 D CA 1.148 55.114 54.000 -0.057 0.000 0.848 610 D CB 0.295 41.034 40.800 -0.102 0.000 0.998 610 D HN 0.443 nan 8.370 nan 0.000 0.474 611 S N -0.657 114.998 115.700 -0.075 0.000 2.537 611 S HA 0.597 5.067 4.470 -0.000 0.000 0.270 611 S C -1.022 173.547 174.600 -0.051 0.000 1.142 611 S CA -0.984 57.199 58.200 -0.028 0.000 0.870 611 S CB 2.184 65.374 63.200 -0.016 0.000 1.112 611 S HN 0.120 nan 8.310 nan 0.000 0.466 612 I N 1.822 122.408 120.570 0.028 0.000 2.534 612 I HA 0.699 4.869 4.170 -0.000 0.000 0.288 612 I C -1.312 174.984 176.117 0.298 0.000 1.077 612 I CA -0.365 60.974 61.300 0.065 0.000 1.051 612 I CB 1.124 39.068 38.000 -0.094 0.000 1.234 612 I HN 0.966 nan 8.210 nan 0.000 0.425 613 C N 5.949 125.439 119.300 0.316 0.000 2.771 613 C HA 0.710 5.170 4.460 -0.000 0.000 0.333 613 C C -0.667 174.428 174.990 0.175 0.000 1.267 613 C CA -0.641 58.574 59.018 0.327 0.000 1.721 613 C CB 1.765 29.620 27.740 0.192 0.000 2.222 613 C HN 0.668 nan 8.230 nan 0.000 0.485 614 L N 1.639 122.796 121.223 -0.110 0.000 2.333 614 L HA 0.621 4.961 4.340 -0.000 0.000 0.280 614 L C -1.475 175.284 176.870 -0.185 0.000 1.004 614 L CA -0.040 54.631 54.840 -0.283 0.000 0.820 614 L CB 0.453 42.078 42.059 -0.724 0.000 1.247 614 L HN 0.665 nan 8.230 nan 0.000 0.416 615 Y N 3.576 123.689 120.300 -0.312 0.000 2.446 615 Y HA 0.829 5.379 4.550 -0.000 0.000 0.338 615 Y C 0.134 175.851 175.900 -0.305 0.000 1.055 615 Y CA -0.326 57.565 58.100 -0.348 0.000 1.101 615 Y CB 2.298 40.337 38.460 -0.702 0.000 1.221 615 Y HN 0.777 nan 8.280 nan 0.000 0.460 616 A N 1.586 124.454 122.820 0.079 0.000 2.459 616 A HA 0.732 5.052 4.320 -0.000 0.000 0.296 616 A C -1.135 176.509 177.584 0.099 0.000 1.039 616 A CA -0.694 51.358 52.037 0.025 0.000 0.698 616 A CB 1.113 20.180 19.000 0.111 0.000 1.261 616 A HN 0.586 nan 8.150 nan 0.000 0.405 617 T N 2.066 116.606 114.554 -0.024 0.000 2.823 617 T HA 0.676 5.026 4.350 -0.000 0.000 0.279 617 T C -1.057 173.648 174.700 0.008 0.000 0.998 617 T CA 0.080 62.255 62.100 0.124 0.000 0.994 617 T CB 0.327 69.278 68.868 0.138 0.000 0.960 617 T HN 0.331 nan 8.240 nan 0.000 0.448 618 F N 1.930 121.950 119.950 0.117 0.000 2.482 618 F HA 0.508 5.035 4.527 -0.000 0.000 0.331 618 F C 0.040 175.936 175.800 0.160 0.000 1.115 618 F CA -1.849 56.237 58.000 0.142 0.000 0.955 618 F CB 0.913 39.991 39.000 0.129 0.000 1.136 618 F HN 0.531 nan 8.300 nan 0.000 0.452 619 F N 6.326 126.406 119.950 0.217 0.000 2.578 619 F HA 0.242 4.769 4.527 -0.000 0.000 0.376 619 F C -1.602 174.301 175.800 0.173 0.000 1.085 619 F CA -1.878 56.213 58.000 0.151 0.000 1.260 619 F CB 0.704 39.769 39.000 0.109 0.000 1.095 619 F HN 0.241 nan 8.300 nan 0.000 0.573 620 P HA 0.004 nan 4.420 nan 0.000 0.225 620 P C -0.267 177.039 177.300 0.010 0.000 1.768 620 P CA 0.004 63.053 63.100 -0.084 0.000 0.943 620 P CB -0.124 31.468 31.700 -0.180 0.000 1.936 621 M N 1.518 121.329 119.600 0.352 0.000 2.249 621 M HA 0.245 4.725 4.480 -0.000 0.000 0.340 621 M C 0.308 176.768 176.300 0.267 0.000 1.166 621 M CA -0.116 55.458 55.300 0.457 0.000 1.115 621 M CB 0.640 33.526 32.600 0.475 0.000 1.606 621 M HN 0.163 nan 8.290 nan 0.000 0.448 622 A N 3.691 126.631 122.820 0.199 0.000 2.540 622 A HA -0.000 4.320 4.320 -0.000 0.000 0.239 622 A C 0.535 178.246 177.584 0.210 0.000 1.061 622 A CA -0.142 51.958 52.037 0.106 0.000 0.758 622 A CB -0.069 18.988 19.000 0.095 0.000 0.991 622 A HN 1.013 nan 8.150 nan 0.000 0.502 623 H N 2.315 121.432 119.070 0.077 0.000 2.422 623 H HA -0.153 4.403 4.556 -0.000 0.000 0.298 623 H C 2.031 177.397 175.328 0.063 0.000 1.098 623 H CA 2.026 58.114 56.048 0.067 0.000 1.315 623 H CB -0.108 29.684 29.762 0.050 0.000 1.382 623 H HN 0.894 nan 8.280 nan 0.000 0.523 624 N N 0.251 119.061 118.700 0.184 0.000 2.188 624 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 624 N C 1.522 177.095 175.510 0.105 0.000 1.018 624 N CA 1.597 54.720 53.050 0.122 0.000 0.858 624 N CB -0.787 37.759 38.487 0.099 0.000 0.989 624 N HN 0.204 nan 8.380 nan 0.000 0.426 625 T N 1.216 115.838 114.554 0.114 0.000 2.737 625 T HA 0.097 4.447 4.350 -0.000 0.000 0.265 625 T C 2.202 176.958 174.700 0.093 0.000 1.038 625 T CA 1.582 63.739 62.100 0.094 0.000 1.144 625 T CB -0.489 68.436 68.868 0.095 0.000 0.866 625 T HN 0.487 nan 8.240 nan 0.000 0.434 626 A N 1.312 124.209 122.820 0.128 0.000 1.908 626 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 626 A C 2.574 180.207 177.584 0.082 0.000 1.181 626 A CA 2.196 54.303 52.037 0.117 0.000 0.627 626 A CB -1.154 17.942 19.000 0.160 0.000 0.818 626 A HN 0.458 nan 8.150 nan 0.000 0.445 627 S N -1.135 114.612 115.700 0.079 0.000 2.370 627 S HA -0.156 4.314 4.470 -0.000 0.000 0.226 627 S C 2.043 176.671 174.600 0.048 0.000 1.033 627 S CA 2.306 60.539 58.200 0.055 0.000 1.011 627 S CB -0.606 62.627 63.200 0.056 0.000 0.852 627 S HN 0.608 nan 8.310 nan 0.000 0.457 628 T N 2.358 116.943 114.554 0.051 0.000 2.812 628 T HA 0.012 4.362 4.350 -0.000 0.000 0.264 628 T C 1.681 176.401 174.700 0.033 0.000 1.042 628 T CA 1.288 63.412 62.100 0.040 0.000 1.140 628 T CB -0.447 68.446 68.868 0.042 0.000 0.870 628 T HN 0.354 nan 8.240 nan 0.000 0.445 629 L N 1.634 122.879 121.223 0.035 0.000 2.083 629 L HA -0.024 4.316 4.340 -0.000 0.000 0.209 629 L C 2.418 179.302 176.870 0.025 0.000 1.083 629 L CA 1.920 56.775 54.840 0.025 0.000 0.752 629 L CB -0.609 41.465 42.059 0.025 0.000 0.899 629 L HN 0.320 nan 8.230 nan 0.000 0.433 630 E N -0.367 119.853 120.200 0.033 0.000 2.077 630 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 630 E C 2.074 178.684 176.600 0.017 0.000 0.989 630 E CA 1.220 57.638 56.400 0.029 0.000 0.800 630 E CB -0.241 29.482 29.700 0.037 0.000 0.746 630 E HN 0.587 nan 8.360 nan 0.000 0.452 631 A N 1.093 123.924 122.820 0.018 0.000 1.908 631 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 631 A C 2.266 179.854 177.584 0.007 0.000 1.181 631 A CA 1.862 53.905 52.037 0.011 0.000 0.627 631 A CB -0.546 18.464 19.000 0.018 0.000 0.818 631 A HN 0.351 nan 8.150 nan 0.000 0.445 632 M N -0.693 118.914 119.600 0.010 0.000 2.132 632 M HA -0.053 4.427 4.480 -0.000 0.000 0.263 632 M C 1.829 178.133 176.300 0.006 0.000 1.065 632 M CA 1.263 56.568 55.300 0.008 0.000 1.122 632 M CB -0.445 32.160 32.600 0.008 0.000 1.365 632 M HN 0.326 nan 8.290 nan 0.000 0.411 633 L N -0.654 120.573 121.223 0.006 0.000 2.551 633 L HA -0.087 4.253 4.340 -0.000 0.000 0.228 633 L C 2.158 179.026 176.870 -0.003 0.000 1.153 633 L CA 0.500 55.343 54.840 0.005 0.000 0.851 633 L CB -0.468 41.597 42.059 0.009 0.000 0.959 633 L HN 0.264 nan 8.230 nan 0.000 0.451 634 R N -0.427 120.061 120.500 -0.019 0.000 2.297 634 R HA 0.081 4.420 4.340 -0.000 0.000 0.197 634 R C 0.049 176.329 176.300 -0.034 0.000 0.943 634 R CA -0.087 55.973 56.100 -0.066 0.000 1.038 634 R CB 0.083 30.327 30.300 -0.093 0.000 0.957 634 R HN 0.345 nan 8.270 nan 0.000 0.484 635 N N 1.641 120.352 118.700 0.019 0.000 2.514 635 N HA -0.026 4.714 4.740 -0.000 0.000 0.277 635 N C 0.145 175.723 175.510 0.113 0.000 1.126 635 N CA 0.108 53.193 53.050 0.059 0.000 0.978 635 N CB 1.334 39.839 38.487 0.030 0.000 1.106 635 N HN 0.110 nan 8.380 nan 0.000 0.461 636 D N -0.353 120.138 120.400 0.151 0.000 2.221 636 D HA -0.184 4.456 4.640 -0.000 0.000 0.204 636 D C 1.501 177.802 176.300 0.002 0.000 0.982 636 D CA 1.175 55.207 54.000 0.054 0.000 0.857 636 D CB -0.222 40.468 40.800 -0.182 0.000 0.934 636 D HN 0.522 nan 8.370 nan 0.000 0.475 637 T N -0.625 113.931 114.554 0.003 0.000 2.833 637 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 637 T C 1.099 175.794 174.700 -0.010 0.000 1.054 637 T CA 0.987 63.081 62.100 -0.011 0.000 1.135 637 T CB -0.392 68.472 68.868 -0.007 0.000 0.869 637 T HN 0.099 nan 8.240 nan 0.000 0.466 638 N N 1.885 120.589 118.700 0.007 0.000 2.320 638 N HA 0.115 4.855 4.740 -0.000 0.000 0.237 638 N C -0.889 174.624 175.510 0.005 0.000 1.129 638 N CA -0.143 52.906 53.050 -0.001 0.000 0.854 638 N CB 0.251 38.739 38.487 0.001 0.000 1.083 638 N HN 0.478 nan 8.380 nan 0.000 0.504 639 D N 1.485 121.894 120.400 0.016 0.000 2.423 639 D HA 0.044 4.684 4.640 -0.000 0.000 0.238 639 D C 0.745 177.021 176.300 -0.041 0.000 1.142 639 D CA 0.612 54.630 54.000 0.030 0.000 0.884 639 D CB 1.180 41.999 40.800 0.032 0.000 1.199 639 D HN 0.118 nan 8.370 nan 0.000 0.438 640 Q N 0.153 119.926 119.800 -0.046 0.000 2.312 640 Q HA 0.514 4.854 4.340 -0.000 0.000 0.236 640 Q C -0.338 175.486 176.000 -0.293 0.000 0.965 640 Q CA -0.458 55.233 55.803 -0.185 0.000 0.894 640 Q CB 1.228 29.924 28.738 -0.070 0.000 1.225 640 Q HN 0.512 nan 8.270 nan 0.000 0.478 641 S N 0.391 115.690 115.700 -0.667 0.000 2.533 641 S HA 0.758 5.228 4.470 -0.000 0.000 0.271 641 S C -1.372 172.723 174.600 -0.840 0.000 1.143 641 S CA -0.849 57.049 58.200 -0.503 0.000 0.891 641 S CB 0.786 63.848 63.200 -0.229 0.000 1.105 641 S HN 0.411 nan 8.310 nan 0.000 0.468 642 F N 1.418 121.409 119.950 0.067 0.000 2.613 642 F HA 0.660 5.187 4.527 -0.000 0.000 0.314 642 F C -0.145 175.782 175.800 0.212 0.000 1.075 642 F CA -0.778 57.301 58.000 0.132 0.000 0.945 642 F CB 1.909 41.000 39.000 0.152 0.000 1.310 642 F HN 0.830 nan 8.300 nan 0.000 0.467 643 N N -0.146 118.740 118.700 0.310 0.000 2.229 643 N HA 0.268 5.008 4.740 -0.000 0.000 0.298 643 N C -1.866 173.521 175.510 -0.205 0.000 1.114 643 N CA -0.612 52.449 53.050 0.018 0.000 0.776 643 N CB 2.290 40.780 38.487 0.005 0.000 1.501 643 N HN 0.632 nan 8.380 nan 0.000 0.474 644 D N 0.251 120.151 120.400 -0.834 0.000 2.424 644 D HA -0.014 4.626 4.640 -0.000 0.000 0.244 644 D C 0.901 177.046 176.300 -0.258 0.000 1.134 644 D CA -0.109 53.476 54.000 -0.693 0.000 0.881 644 D CB 0.562 40.780 40.800 -0.970 0.000 1.191 644 D HN 0.500 nan 8.370 nan 0.000 0.445 645 Y N 3.627 123.818 120.300 -0.182 0.000 2.145 645 Y HA -0.162 4.388 4.550 -0.000 0.000 0.286 645 Y C 1.744 177.548 175.900 -0.160 0.000 1.145 645 Y CA 1.434 59.453 58.100 -0.135 0.000 1.148 645 Y CB -0.256 38.149 38.460 -0.092 0.000 0.981 645 Y HN 0.531 nan 8.280 nan 0.000 0.507 646 L N 0.528 121.717 121.223 -0.057 0.000 2.083 646 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 646 L C 1.126 177.847 176.870 -0.248 0.000 1.083 646 L CA 1.753 56.513 54.840 -0.133 0.000 0.752 646 L CB -0.848 41.187 42.059 -0.039 0.000 0.899 646 L HN 0.218 nan 8.230 nan 0.000 0.433 647 S N -0.055 115.484 115.700 -0.268 0.000 3.356 647 S HA 0.011 4.481 4.470 -0.000 0.000 0.376 647 S C 0.056 174.515 174.600 -0.234 0.000 0.924 647 S CA 0.497 58.520 58.200 -0.296 0.000 1.316 647 S CB -1.627 61.330 63.200 -0.404 0.000 0.922 647 S HN 0.944 nan 8.310 nan 0.000 0.553 648 A N 0.552 123.288 122.820 -0.141 0.000 2.612 648 A HA 0.867 5.187 4.320 -0.000 0.000 0.293 648 A C -0.518 177.065 177.584 -0.002 0.000 1.075 648 A CA -0.090 51.896 52.037 -0.086 0.000 0.680 648 A CB 1.066 20.017 19.000 -0.081 0.000 1.279 648 A HN 1.503 nan 8.150 nan 0.000 0.411 649 A N 1.616 124.443 122.820 0.011 0.000 2.274 649 A HA 0.637 4.957 4.320 -0.000 0.000 0.309 649 A C -0.390 177.319 177.584 0.208 0.000 1.226 649 A CA -0.633 51.444 52.037 0.066 0.000 0.853 649 A CB 0.101 19.055 19.000 -0.077 0.000 1.146 649 A HN 0.670 nan 8.150 nan 0.000 0.518 650 N N 3.281 122.135 118.700 0.256 0.000 2.425 650 N HA 0.424 5.164 4.740 -0.000 0.000 0.268 650 N C -0.915 174.805 175.510 0.350 0.000 0.991 650 N CA -0.228 53.064 53.050 0.403 0.000 0.931 650 N CB 1.411 40.168 38.487 0.451 0.000 1.130 650 N HN 0.531 nan 8.380 nan 0.000 0.493 651 M N 2.499 122.359 119.600 0.433 0.000 2.456 651 M HA 0.509 4.989 4.480 -0.000 0.000 0.324 651 M C -0.545 175.844 176.300 0.148 0.000 1.124 651 M CA -0.547 54.889 55.300 0.227 0.000 0.959 651 M CB 1.792 34.637 32.600 0.408 0.000 1.692 651 M HN 0.249 nan 8.290 nan 0.000 0.444 652 L N 3.046 124.148 121.223 -0.201 0.000 2.381 652 L HA 0.535 4.875 4.340 -0.000 0.000 0.274 652 L C -1.597 175.045 176.870 -0.381 0.000 0.988 652 L CA -0.646 54.106 54.840 -0.146 0.000 0.824 652 L CB 1.669 43.629 42.059 -0.165 0.000 1.263 652 L HN 0.563 nan 8.230 nan 0.000 0.410 653 Y N 3.432 123.769 120.300 0.062 0.000 2.341 653 Y HA 0.427 4.977 4.550 -0.000 0.000 0.338 653 Y C -2.119 173.785 175.900 0.007 0.000 0.965 653 Y CA -2.664 55.458 58.100 0.037 0.000 1.108 653 Y CB 1.567 40.050 38.460 0.038 0.000 1.180 653 Y HN 0.354 nan 8.280 nan 0.000 0.458 654 P HA 0.203 nan 4.420 nan 0.000 0.271 654 P C -0.559 176.773 177.300 0.054 0.000 1.216 654 P CA 0.226 63.361 63.100 0.057 0.000 0.771 654 P CB 1.408 33.126 31.700 0.030 0.000 0.864 655 I N 4.753 125.335 120.570 0.020 0.000 2.437 655 I HA 0.257 4.427 4.170 -0.000 0.000 0.279 655 I C -2.276 173.836 176.117 -0.009 0.000 1.028 655 I CA -2.776 58.523 61.300 -0.001 0.000 1.142 655 I CB 1.640 39.622 38.000 -0.031 0.000 1.266 655 I HN 0.062 nan 8.210 nan 0.000 0.461 656 P HA -0.016 nan 4.420 nan 0.000 0.267 656 P C -0.070 177.222 177.300 -0.014 0.000 1.201 656 P CA -0.125 62.970 63.100 -0.008 0.000 0.775 656 P CB 0.576 32.274 31.700 -0.004 0.000 0.854 657 A N 2.878 125.690 122.820 -0.013 0.000 2.567 657 A HA -0.019 4.301 4.320 -0.000 0.000 0.240 657 A C 0.913 178.491 177.584 -0.010 0.000 1.053 657 A CA 0.797 52.827 52.037 -0.011 0.000 0.755 657 A CB -1.381 17.614 19.000 -0.008 0.000 0.978 657 A HN 0.829 nan 8.150 nan 0.000 0.507 658 N N -0.833 117.860 118.700 -0.012 0.000 2.900 658 N HA -0.222 4.518 4.740 -0.000 0.000 0.240 658 N C 0.372 175.873 175.510 -0.015 0.000 0.953 658 N CA 0.540 53.584 53.050 -0.010 0.000 0.950 658 N CB -1.511 36.975 38.487 -0.002 0.000 1.102 658 N HN 1.221 nan 8.380 nan 0.000 0.593 659 A N 0.085 122.895 122.820 -0.018 0.000 2.483 659 A HA 0.368 4.688 4.320 -0.000 0.000 0.238 659 A C 1.205 178.772 177.584 -0.028 0.000 1.070 659 A CA 1.020 53.047 52.037 -0.018 0.000 0.770 659 A CB 0.494 19.485 19.000 -0.015 0.000 1.008 659 A HN 0.231 nan 8.150 nan 0.000 0.497 660 T N 0.625 115.166 114.554 -0.023 0.000 2.964 660 T HA 0.122 4.472 4.350 -0.000 0.000 0.249 660 T C 0.539 175.225 174.700 -0.023 0.000 1.000 660 T CA 0.359 62.441 62.100 -0.029 0.000 0.992 660 T CB -0.123 68.732 68.868 -0.022 0.000 1.087 660 T HN 0.711 nan 8.240 nan 0.000 0.489 661 N N 1.171 119.864 118.700 -0.011 0.000 2.392 661 N HA 0.463 5.203 4.740 -0.000 0.000 0.283 661 N C -1.469 174.048 175.510 0.012 0.000 1.003 661 N CA -0.263 52.787 53.050 0.000 0.000 0.892 661 N CB 1.480 39.965 38.487 -0.004 0.000 1.193 661 N HN -0.155 nan 8.380 nan 0.000 0.487 662 V N 5.681 125.617 119.914 0.037 0.000 2.340 662 V HA 0.471 4.591 4.120 -0.000 0.000 0.277 662 V C -2.282 173.853 176.094 0.069 0.000 1.017 662 V CA -1.218 61.109 62.300 0.044 0.000 0.820 662 V CB 1.233 33.072 31.823 0.026 0.000 1.028 662 V HN 0.669 nan 8.190 nan 0.000 0.436 663 P HA 0.590 nan 4.420 nan 0.000 0.300 663 P C -0.793 176.497 177.300 -0.018 0.000 1.326 663 P CA -0.393 62.714 63.100 0.012 0.000 0.844 663 P CB 2.198 33.901 31.700 0.005 0.000 0.992 664 I N -0.778 119.763 120.570 -0.049 0.000 2.740 664 I HA 0.761 4.931 4.170 -0.000 0.000 0.303 664 I C -0.918 175.191 176.117 -0.013 0.000 1.044 664 I CA -0.960 60.266 61.300 -0.123 0.000 1.064 664 I CB 2.547 40.278 38.000 -0.448 0.000 1.249 664 I HN 0.174 nan 8.210 nan 0.000 0.433 665 S N 5.470 121.200 115.700 0.050 0.000 2.614 665 S HA 0.640 5.110 4.470 -0.000 0.000 0.288 665 S C -0.924 173.760 174.600 0.141 0.000 1.137 665 S CA -0.648 57.605 58.200 0.087 0.000 0.992 665 S CB 1.240 64.482 63.200 0.069 0.000 1.026 665 S HN 0.498 nan 8.310 nan 0.000 0.486 666 I N 6.718 127.389 120.570 0.168 0.000 2.330 666 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 666 I C -2.042 174.169 176.117 0.156 0.000 1.001 666 I CA -2.609 58.801 61.300 0.184 0.000 1.193 666 I CB 1.000 39.179 38.000 0.299 0.000 1.345 666 I HN 0.448 nan 8.210 nan 0.000 0.461 667 P HA -0.019 nan 4.420 nan 0.000 0.269 667 P C 0.187 177.534 177.300 0.078 0.000 1.209 667 P CA -0.091 63.052 63.100 0.072 0.000 0.776 667 P CB 0.666 32.386 31.700 0.035 0.000 0.876 668 S N 2.389 118.147 115.700 0.097 0.000 3.116 668 S HA -0.061 4.409 4.470 -0.000 0.000 0.367 668 S C 0.469 175.090 174.600 0.035 0.000 1.202 668 S CA 0.353 58.624 58.200 0.119 0.000 1.018 668 S CB -0.586 62.655 63.200 0.068 0.000 0.726 668 S HN 0.728 nan 8.310 nan 0.000 0.506 669 R N 3.005 123.529 120.500 0.040 0.000 2.844 669 R HA 0.525 4.865 4.340 -0.000 0.000 0.264 669 R C -1.198 174.962 176.300 -0.232 0.000 1.077 669 R CA -1.080 54.888 56.100 -0.221 0.000 0.953 669 R CB 0.296 30.260 30.300 -0.560 0.000 1.272 669 R HN 0.508 nan 8.270 nan 0.000 0.447 670 N N -0.558 117.912 118.700 -0.383 0.000 2.499 670 N HA 0.249 4.989 4.740 -0.000 0.000 0.281 670 N C -1.016 174.215 175.510 -0.466 0.000 1.098 670 N CA -0.542 52.376 53.050 -0.221 0.000 0.979 670 N CB 0.644 39.048 38.487 -0.139 0.000 1.121 670 N HN 0.561 nan 8.380 nan 0.000 0.466 671 W N 2.330 123.642 121.300 0.020 0.000 2.862 671 W HA 0.488 5.148 4.660 -0.000 0.000 0.376 671 W C 0.539 177.127 176.519 0.115 0.000 1.028 671 W CA -0.535 56.820 57.345 0.016 0.000 1.757 671 W CB -0.244 29.229 29.460 0.021 0.000 1.128 671 W HN 0.499 nan 8.180 nan 0.000 0.566 672 A N 1.067 124.049 122.820 0.271 0.000 2.565 672 A HA 0.367 4.687 4.320 -0.000 0.000 0.237 672 A C 1.570 179.285 177.584 0.219 0.000 1.053 672 A CA 1.265 53.439 52.037 0.227 0.000 0.755 672 A CB -0.083 19.007 19.000 0.150 0.000 0.980 672 A HN 1.181 nan 8.150 nan 0.000 0.506 673 A N 1.216 124.165 122.820 0.215 0.000 3.396 673 A HA -0.196 4.124 4.320 -0.000 0.000 0.267 673 A C 0.391 178.187 177.584 0.353 0.000 1.139 673 A CA 0.941 53.132 52.037 0.256 0.000 1.115 673 A CB -2.597 16.524 19.000 0.201 0.000 1.133 673 A HN 2.039 nan 8.150 nan 0.000 0.920 674 F N 1.429 121.464 119.950 0.142 0.000 2.608 674 F HA 0.379 4.906 4.527 -0.000 0.000 0.380 674 F C 1.307 177.101 175.800 -0.010 0.000 1.083 674 F CA 0.611 58.632 58.000 0.035 0.000 1.266 674 F CB 0.368 39.309 39.000 -0.099 0.000 1.076 674 F HN 0.257 nan 8.300 nan 0.000 0.574 675 R N 3.154 123.240 120.500 -0.690 0.000 2.189 675 R HA 0.413 4.753 4.340 -0.000 0.000 0.203 675 R C 0.778 176.577 176.300 -0.835 0.000 1.012 675 R CA 0.314 56.057 56.100 -0.595 0.000 1.015 675 R CB 0.053 30.060 30.300 -0.489 0.000 0.938 675 R HN 0.916 nan 8.270 nan 0.000 0.472 676 G N -0.698 107.074 108.800 -1.714 0.000 2.340 676 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.282 676 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.282 676 G C -1.838 172.526 174.900 -0.893 0.000 1.312 676 G CA -0.976 43.386 45.100 -1.230 0.000 0.942 676 G HN 0.025 nan 8.290 nan 0.000 0.495 677 W N -0.041 121.154 121.300 -0.175 0.000 2.781 677 W HA 0.756 5.416 4.660 -0.000 0.000 0.345 677 W C 0.120 176.588 176.519 -0.085 0.000 1.085 677 W CA -0.268 57.019 57.345 -0.097 0.000 1.198 677 W CB 2.434 31.890 29.460 -0.006 0.000 1.423 677 W HN 1.283 nan 8.180 nan 0.000 0.532 678 A N 2.744 125.643 122.820 0.131 0.000 2.486 678 A HA 0.939 5.259 4.320 -0.000 0.000 0.300 678 A C -1.655 175.912 177.584 -0.029 0.000 1.048 678 A CA -0.551 51.450 52.037 -0.060 0.000 0.696 678 A CB 1.673 20.545 19.000 -0.213 0.000 1.278 678 A HN 0.671 nan 8.150 nan 0.000 0.405 679 F N -0.908 118.899 119.950 -0.237 0.000 2.719 679 F HA 0.878 5.405 4.527 -0.000 0.000 0.309 679 F C -0.304 175.277 175.800 -0.365 0.000 1.138 679 F CA -0.384 57.425 58.000 -0.319 0.000 0.943 679 F CB 1.137 40.021 39.000 -0.195 0.000 1.304 679 F HN 0.711 nan 8.300 nan 0.000 0.445 680 T N -0.432 114.076 114.554 -0.076 0.000 2.626 680 T HA 0.607 4.957 4.350 -0.000 0.000 0.299 680 T C -1.713 173.274 174.700 0.479 0.000 1.181 680 T CA -1.191 60.927 62.100 0.030 0.000 1.053 680 T CB 1.995 70.646 68.868 -0.361 0.000 1.566 680 T HN 0.949 nan 8.240 nan 0.000 0.486 681 R N 0.115 120.846 120.500 0.385 0.000 2.574 681 R HA 0.742 5.082 4.340 -0.000 0.000 0.288 681 R C -1.770 174.612 176.300 0.137 0.000 1.004 681 R CA -0.682 55.556 56.100 0.230 0.000 0.895 681 R CB 1.012 31.317 30.300 0.009 0.000 1.191 681 R HN 0.613 nan 8.270 nan 0.000 0.444 682 L N 2.679 123.982 121.223 0.134 0.000 2.323 682 L HA 0.579 4.919 4.340 -0.000 0.000 0.265 682 L C -0.339 176.553 176.870 0.036 0.000 1.012 682 L CA -1.171 53.736 54.840 0.111 0.000 0.820 682 L CB 2.213 44.383 42.059 0.184 0.000 1.334 682 L HN 0.462 nan 8.230 nan 0.000 0.427 683 K N 0.028 120.445 120.400 0.029 0.000 2.201 683 K HA 0.269 4.589 4.320 -0.000 0.000 0.278 683 K C 0.536 177.129 176.600 -0.012 0.000 1.027 683 K CA -0.396 55.894 56.287 0.005 0.000 0.909 683 K CB 1.757 34.268 32.500 0.017 0.000 1.062 683 K HN 0.559 nan 8.250 nan 0.000 0.465 684 T N 2.347 116.890 114.554 -0.018 0.000 2.720 684 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 684 T C 1.335 176.025 174.700 -0.018 0.000 1.037 684 T CA 1.416 63.504 62.100 -0.020 0.000 1.144 684 T CB 0.001 68.857 68.868 -0.020 0.000 0.864 684 T HN 0.520 nan 8.240 nan 0.000 0.444 685 K N 0.917 121.284 120.400 -0.054 0.000 2.211 685 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 685 K C 1.799 178.262 176.600 -0.229 0.000 1.047 685 K CA 1.100 57.328 56.287 -0.099 0.000 0.935 685 K CB -0.041 32.380 32.500 -0.131 0.000 0.728 685 K HN 0.518 nan 8.250 nan 0.000 0.452 686 E N 0.133 120.167 120.200 -0.277 0.000 2.444 686 E HA 0.030 4.380 4.350 -0.000 0.000 0.191 686 E C -0.522 176.134 176.600 0.092 0.000 1.041 686 E CA 0.145 56.317 56.400 -0.380 0.000 0.883 686 E CB 0.799 30.282 29.700 -0.362 0.000 1.024 686 E HN -0.007 nan 8.360 nan 0.000 0.470 687 T N 3.785 118.402 114.554 0.104 0.000 2.977 687 T HA 0.221 4.571 4.350 -0.000 0.000 0.346 687 T C -2.451 172.202 174.700 -0.079 0.000 1.140 687 T CA -1.532 60.579 62.100 0.019 0.000 1.040 687 T CB 1.304 70.124 68.868 -0.079 0.000 1.046 687 T HN -0.005 nan 8.240 nan 0.000 0.494 688 P HA 0.128 nan 4.420 nan 0.000 0.269 688 P C -0.059 177.010 177.300 -0.386 0.000 1.209 688 P CA -0.314 62.364 63.100 -0.704 0.000 0.776 688 P CB 0.729 31.686 31.700 -1.238 0.000 0.876 689 S N 3.128 118.649 115.700 -0.299 0.000 2.701 689 S HA 0.180 4.650 4.470 -0.000 0.000 0.317 689 S C 0.558 175.047 174.600 -0.184 0.000 1.149 689 S CA -0.646 57.433 58.200 -0.202 0.000 1.052 689 S CB -1.335 61.794 63.200 -0.118 0.000 1.257 689 S HN 0.258 nan 8.310 nan 0.000 0.532 690 L N 3.662 124.781 121.223 -0.174 0.000 2.456 690 L HA 0.347 4.687 4.340 -0.000 0.000 0.246 690 L C 1.895 178.746 176.870 -0.032 0.000 1.238 690 L CA 0.784 55.576 54.840 -0.081 0.000 0.826 690 L CB -0.217 41.823 42.059 -0.032 0.000 1.150 690 L HN 0.873 nan 8.230 nan 0.000 0.514 691 G N -0.311 108.510 108.800 0.036 0.000 2.812 691 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.219 691 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.219 691 G C 0.389 175.305 174.900 0.026 0.000 1.275 691 G CA 0.269 45.389 45.100 0.033 0.000 0.769 691 G HN 0.807 nan 8.290 nan 0.000 0.527 692 S N 0.748 116.449 115.700 0.002 0.000 2.626 692 S HA 0.512 4.982 4.470 -0.000 0.000 0.257 692 S C 1.535 176.150 174.600 0.024 0.000 1.288 692 S CA 0.773 58.966 58.200 -0.012 0.000 0.980 692 S CB 1.294 64.464 63.200 -0.050 0.000 0.975 692 S HN 1.688 nan 8.310 nan 0.000 0.577 693 G N -1.348 107.433 108.800 -0.033 0.000 3.042 693 G HA2 0.348 4.308 3.960 -0.000 0.000 0.212 693 G HA3 0.348 4.308 3.960 -0.000 0.000 0.212 693 G C -0.395 174.186 174.900 -0.531 0.000 1.166 693 G CA -0.051 45.019 45.100 -0.051 0.000 0.767 693 G HN 0.875 nan 8.290 nan 0.000 0.546 694 Y N -0.343 119.658 120.300 -0.497 0.000 2.368 694 Y HA 0.231 4.781 4.550 -0.000 0.000 0.331 694 Y C -2.386 173.348 175.900 -0.277 0.000 1.380 694 Y CA -1.423 56.391 58.100 -0.477 0.000 1.395 694 Y CB 0.758 38.685 38.460 -0.887 0.000 1.291 694 Y HN 0.001 nan 8.280 nan 0.000 0.463 695 D N 8.263 128.198 120.400 -0.775 0.000 2.317 695 D HA 0.388 5.028 4.640 -0.000 0.000 0.234 695 D C -1.830 174.071 176.300 -0.666 0.000 1.112 695 D CA -2.316 51.361 54.000 -0.537 0.000 0.840 695 D CB 2.015 42.601 40.800 -0.357 0.000 1.078 695 D HN 0.382 nan 8.370 nan 0.000 0.486 696 P HA -0.086 nan 4.420 nan 0.000 0.222 696 P C 0.559 177.657 177.300 -0.337 0.000 1.153 696 P CA 0.780 63.669 63.100 -0.351 0.000 0.798 696 P CB 0.112 31.507 31.700 -0.507 0.000 0.796 697 Y N -2.142 118.165 120.300 0.011 0.000 2.493 697 Y HA 0.186 4.736 4.550 -0.000 0.000 0.275 697 Y C 0.860 176.810 175.900 0.083 0.000 1.183 697 Y CA -0.781 57.341 58.100 0.037 0.000 1.258 697 Y CB -0.602 37.873 38.460 0.024 0.000 1.108 697 Y HN -0.100 nan 8.280 nan 0.000 0.521 698 Y N 2.391 122.684 120.300 -0.011 0.000 2.595 698 Y HA 0.164 4.714 4.550 -0.000 0.000 0.347 698 Y C 0.505 176.426 175.900 0.035 0.000 1.025 698 Y CA -0.708 57.393 58.100 0.001 0.000 1.295 698 Y CB 0.468 38.877 38.460 -0.085 0.000 1.147 698 Y HN 0.086 nan 8.280 nan 0.000 0.515 699 T N 2.732 117.199 114.554 -0.145 0.000 3.327 699 T HA 0.231 4.581 4.350 -0.000 0.000 0.244 699 T C -1.109 173.499 174.700 -0.153 0.000 1.074 699 T CA -0.446 61.580 62.100 -0.124 0.000 1.156 699 T CB -0.596 68.260 68.868 -0.021 0.000 1.087 699 T HN 0.528 nan 8.240 nan 0.000 0.575 700 Y N 0.977 120.919 120.300 -0.597 0.000 2.513 700 Y HA 0.552 5.102 4.550 -0.000 0.000 0.340 700 Y C -0.093 175.553 175.900 -0.423 0.000 1.055 700 Y CA -0.896 56.928 58.100 -0.461 0.000 1.020 700 Y CB 2.117 40.311 38.460 -0.443 0.000 1.301 700 Y HN 0.209 nan 8.280 nan 0.000 0.453 701 S N 1.910 117.079 115.700 -0.885 0.000 2.952 701 S HA 0.468 4.938 4.470 -0.000 0.000 0.251 701 S C 0.387 174.602 174.600 -0.641 0.000 1.021 701 S CA -0.012 57.839 58.200 -0.580 0.000 1.067 701 S CB -0.004 63.032 63.200 -0.272 0.000 1.002 701 S HN 0.988 nan 8.310 nan 0.000 0.574 702 G N 2.120 110.119 108.800 -1.335 0.000 2.531 702 G HA2 0.495 4.455 3.960 -0.000 0.000 0.253 702 G HA3 0.495 4.455 3.960 -0.000 0.000 0.253 702 G C 0.099 174.978 174.900 -0.036 0.000 1.439 702 G CA -0.127 44.676 45.100 -0.494 0.000 1.056 702 G HN 0.726 nan 8.290 nan 0.000 0.555 703 S N -1.282 114.544 115.700 0.210 0.000 2.576 703 S HA 0.378 4.848 4.470 -0.000 0.000 0.276 703 S C -0.059 174.741 174.600 0.334 0.000 1.339 703 S CA -0.388 57.937 58.200 0.208 0.000 1.039 703 S CB 0.753 64.040 63.200 0.145 0.000 0.902 703 S HN 0.380 nan 8.310 nan 0.000 0.516 704 I N 3.261 123.965 120.570 0.224 0.000 2.503 704 I HA 0.276 4.446 4.170 -0.000 0.000 0.277 704 I C -1.974 174.201 176.117 0.097 0.000 1.078 704 I CA -2.318 59.129 61.300 0.245 0.000 1.184 704 I CB 1.374 39.522 38.000 0.247 0.000 1.353 704 I HN 0.455 nan 8.210 nan 0.000 0.490 705 P HA -0.286 nan 4.420 nan 0.000 0.218 705 P C 1.570 178.713 177.300 -0.262 0.000 1.154 705 P CA 1.681 64.655 63.100 -0.211 0.000 0.872 705 P CB 0.027 31.749 31.700 0.037 0.000 0.790 706 Y N -0.210 120.082 120.300 -0.013 0.000 2.207 706 Y HA -0.194 4.356 4.550 -0.000 0.000 0.287 706 Y C 1.841 177.752 175.900 0.018 0.000 1.156 706 Y CA 1.565 59.691 58.100 0.045 0.000 1.182 706 Y CB -0.563 37.849 38.460 -0.079 0.000 0.979 706 Y HN -0.126 nan 8.280 nan 0.000 0.521 707 L N -0.848 120.369 121.223 -0.010 0.000 2.388 707 L HA 0.058 4.398 4.340 -0.000 0.000 0.209 707 L C 1.536 178.347 176.870 -0.098 0.000 1.061 707 L CA 0.873 55.683 54.840 -0.049 0.000 0.834 707 L CB -0.254 41.860 42.059 0.092 0.000 1.029 707 L HN 0.173 nan 8.230 nan 0.000 0.473 708 D N -0.830 119.489 120.400 -0.136 0.000 2.360 708 D HA 0.099 4.739 4.640 -0.000 0.000 0.210 708 D C 1.441 177.553 176.300 -0.313 0.000 1.047 708 D CA 0.685 54.586 54.000 -0.165 0.000 0.854 708 D CB 0.407 41.144 40.800 -0.106 0.000 0.936 708 D HN 0.181 nan 8.370 nan 0.000 0.514 709 G N 0.466 108.925 108.800 -0.568 0.000 2.143 709 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.249 709 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.249 709 G C 0.672 175.156 174.900 -0.694 0.000 0.981 709 G CA 0.527 45.138 45.100 -0.814 0.000 0.665 709 G HN 0.684 nan 8.290 nan 0.000 0.528 710 T N -0.456 113.694 114.554 -0.673 0.000 3.820 710 T HA 0.555 4.905 4.350 -0.000 0.000 0.224 710 T C 0.615 175.263 174.700 -0.088 0.000 0.869 710 T CA -0.546 61.141 62.100 -0.689 0.000 0.932 710 T CB -0.737 67.488 68.868 -1.071 0.000 1.259 710 T HN 0.300 nan 8.240 nan 0.000 0.676 711 F N 2.489 122.565 119.950 0.211 0.000 2.518 711 F HA 0.304 4.831 4.527 -0.000 0.000 0.359 711 F C 1.064 177.146 175.800 0.470 0.000 1.118 711 F CA -0.679 57.480 58.000 0.265 0.000 1.287 711 F CB 0.440 39.508 39.000 0.113 0.000 1.132 711 F HN 0.521 nan 8.300 nan 0.000 0.587 712 Y N -0.300 120.285 120.300 0.475 0.000 2.957 712 Y HA 0.435 4.985 4.550 -0.000 0.000 0.274 712 Y C -0.408 175.722 175.900 0.383 0.000 1.065 712 Y CA -0.475 57.870 58.100 0.408 0.000 1.273 712 Y CB -0.864 37.829 38.460 0.389 0.000 1.358 712 Y HN 0.417 nan 8.280 nan 0.000 0.585 713 L N 0.921 122.125 121.223 -0.031 0.000 3.014 713 L HA 0.317 4.657 4.340 -0.000 0.000 0.263 713 L C 0.980 177.835 176.870 -0.024 0.000 1.207 713 L CA -0.078 54.677 54.840 -0.142 0.000 1.017 713 L CB 0.110 41.992 42.059 -0.294 0.000 1.360 713 L HN 0.211 nan 8.230 nan 0.000 0.560 714 N N 0.611 119.422 118.700 0.186 0.000 2.364 714 N HA -0.176 4.564 4.740 -0.000 0.000 0.183 714 N C 1.674 177.597 175.510 0.689 0.000 1.022 714 N CA 1.134 54.386 53.050 0.337 0.000 0.883 714 N CB -0.123 38.189 38.487 -0.292 0.000 0.965 714 N HN 0.589 nan 8.380 nan 0.000 0.438 715 H N -0.227 119.026 119.070 0.304 0.000 2.559 715 H HA 0.075 4.631 4.556 -0.000 0.000 0.273 715 H C 1.031 176.388 175.328 0.050 0.000 1.000 715 H CA 1.230 57.270 56.048 -0.012 0.000 1.195 715 H CB -0.624 28.908 29.762 -0.384 0.000 1.368 715 H HN 0.134 nan 8.280 nan 0.000 0.592 716 T N -2.433 111.958 114.554 -0.271 0.000 3.144 716 T HA 0.158 4.508 4.350 -0.000 0.000 0.249 716 T C 0.118 174.710 174.700 -0.180 0.000 1.089 716 T CA -0.553 61.389 62.100 -0.262 0.000 0.989 716 T CB -0.735 67.886 68.868 -0.412 0.000 0.992 716 T HN 0.012 nan 8.240 nan 0.000 0.540 717 F N 1.421 121.426 119.950 0.091 0.000 2.394 717 F HA 0.596 5.123 4.527 -0.000 0.000 0.340 717 F C 1.371 177.148 175.800 -0.038 0.000 1.105 717 F CA -1.139 56.907 58.000 0.077 0.000 1.124 717 F CB 1.814 40.924 39.000 0.183 0.000 1.145 717 F HN -0.103 nan 8.300 nan 0.000 0.505 718 K N 2.236 122.684 120.400 0.081 0.000 2.161 718 K HA 0.185 4.505 4.320 -0.000 0.000 0.205 718 K C -0.508 176.035 176.600 -0.096 0.000 1.035 718 K CA 0.726 57.005 56.287 -0.013 0.000 0.970 718 K CB 0.368 32.855 32.500 -0.021 0.000 0.866 718 K HN 0.647 nan 8.250 nan 0.000 0.461 719 K N -1.311 119.035 120.400 -0.089 0.000 2.579 719 K HA 0.478 4.798 4.320 -0.000 0.000 0.284 719 K C -1.571 174.900 176.600 -0.214 0.000 0.990 719 K CA -1.118 55.066 56.287 -0.172 0.000 0.880 719 K CB 2.137 34.557 32.500 -0.134 0.000 1.488 719 K HN -0.169 nan 8.250 nan 0.000 0.425 720 V N 0.106 119.850 119.914 -0.283 0.000 2.686 720 V HA 0.737 4.857 4.120 -0.000 0.000 0.306 720 V C -1.025 174.892 176.094 -0.296 0.000 1.065 720 V CA -0.740 61.250 62.300 -0.517 0.000 0.894 720 V CB 1.521 32.868 31.823 -0.793 0.000 1.004 720 V HN 0.966 nan 8.190 nan 0.000 0.424 721 A N 5.729 128.332 122.820 -0.361 0.000 2.318 721 A HA 0.923 5.243 4.320 -0.000 0.000 0.317 721 A C -0.829 176.603 177.584 -0.253 0.000 1.159 721 A CA -0.482 51.440 52.037 -0.191 0.000 0.799 721 A CB 0.759 19.670 19.000 -0.149 0.000 1.194 721 A HN 0.784 nan 8.150 nan 0.000 0.479 722 I N 2.044 122.542 120.570 -0.119 0.000 2.433 722 I HA 0.470 4.640 4.170 -0.000 0.000 0.292 722 I C -0.462 175.630 176.117 -0.042 0.000 1.001 722 I CA -0.209 60.983 61.300 -0.180 0.000 1.119 722 I CB 2.415 40.312 38.000 -0.171 0.000 1.289 722 I HN 0.582 nan 8.210 nan 0.000 0.438 723 T N 5.599 120.062 114.554 -0.152 0.000 2.928 723 T HA 0.497 4.847 4.350 -0.000 0.000 0.296 723 T C -0.663 173.950 174.700 -0.145 0.000 1.000 723 T CA -0.481 61.592 62.100 -0.046 0.000 0.989 723 T CB 0.967 69.826 68.868 -0.015 0.000 1.005 723 T HN 0.086 nan 8.240 nan 0.000 0.442 724 F N 2.174 122.177 119.950 0.088 0.000 2.399 724 F HA 0.353 4.880 4.527 -0.000 0.000 0.334 724 F C 1.295 177.156 175.800 0.102 0.000 1.097 724 F CA -0.310 57.727 58.000 0.061 0.000 1.076 724 F CB 0.883 39.903 39.000 0.034 0.000 1.162 724 F HN 0.615 nan 8.300 nan 0.000 0.495 725 D N 2.299 122.886 120.400 0.310 0.000 2.702 725 D HA -0.260 4.380 4.640 -0.000 0.000 0.233 725 D C 0.709 177.085 176.300 0.128 0.000 1.164 725 D CA 1.106 55.225 54.000 0.200 0.000 0.638 725 D CB -1.015 39.907 40.800 0.202 0.000 1.041 725 D HN 0.849 nan 8.370 nan 0.000 0.422 726 S N -2.364 113.395 115.700 0.099 0.000 3.491 726 S HA -0.280 4.190 4.470 -0.000 0.000 0.371 726 S C 0.919 175.557 174.600 0.064 0.000 0.980 726 S CA 2.031 60.269 58.200 0.063 0.000 1.204 726 S CB -2.110 61.119 63.200 0.048 0.000 0.915 726 S HN 1.472 nan 8.310 nan 0.000 0.482 727 S N -3.233 112.518 115.700 0.085 0.000 1.773 727 S HA 0.170 4.640 4.470 -0.000 0.000 0.203 727 S C -0.106 174.551 174.600 0.095 0.000 0.762 727 S CA 0.284 58.528 58.200 0.075 0.000 1.503 727 S CB -0.117 63.122 63.200 0.066 0.000 0.926 727 S HN 1.074 nan 8.310 nan 0.000 0.380 728 V N 3.562 123.563 119.914 0.145 0.000 2.368 728 V HA 0.642 4.762 4.120 -0.000 0.000 0.266 728 V C 0.426 176.660 176.094 0.233 0.000 1.045 728 V CA -0.152 62.255 62.300 0.177 0.000 0.899 728 V CB 0.924 32.872 31.823 0.208 0.000 1.006 728 V HN 0.550 nan 8.190 nan 0.000 0.470 729 S N 5.159 120.965 115.700 0.176 0.000 2.548 729 S HA 0.416 4.886 4.470 -0.000 0.000 0.277 729 S C -0.896 173.883 174.600 0.298 0.000 1.315 729 S CA -0.426 57.887 58.200 0.189 0.000 1.050 729 S CB 0.357 63.607 63.200 0.083 0.000 0.918 729 S HN 0.663 nan 8.310 nan 0.000 0.497 730 W N 6.468 127.903 121.300 0.225 0.000 2.702 730 W HA 0.517 5.177 4.660 -0.000 0.000 0.331 730 W C -1.964 174.754 176.519 0.332 0.000 1.049 730 W CA -2.146 55.404 57.345 0.342 0.000 1.230 730 W CB 1.654 31.486 29.460 0.620 0.000 1.408 730 W HN 0.513 nan 8.180 nan 0.000 0.492 731 P HA 0.096 nan 4.420 nan 0.000 0.241 731 P C 0.915 177.933 177.300 -0.469 0.000 1.191 731 P CA 1.426 63.736 63.100 -1.317 0.000 0.771 731 P CB 0.317 31.238 31.700 -1.298 0.000 0.929 732 G N 1.888 110.553 108.800 -0.226 0.000 2.581 732 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.291 732 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.291 732 G C 0.379 175.197 174.900 -0.138 0.000 1.277 732 G CA 0.339 45.370 45.100 -0.115 0.000 0.959 732 G HN 0.325 nan 8.290 nan 0.000 0.554 733 N N 0.127 118.775 118.700 -0.087 0.000 2.681 733 N HA -0.212 4.528 4.740 -0.000 0.000 0.250 733 N C 0.637 176.101 175.510 -0.076 0.000 1.133 733 N CA 2.508 55.510 53.050 -0.081 0.000 0.732 733 N CB -0.870 37.556 38.487 -0.102 0.000 1.107 733 N HN 1.570 nan 8.380 nan 0.000 0.559 734 D N -1.395 118.962 120.400 -0.072 0.000 2.751 734 D HA -0.223 4.417 4.640 -0.000 0.000 0.233 734 D C 1.159 177.426 176.300 -0.056 0.000 1.149 734 D CA 1.162 55.128 54.000 -0.058 0.000 0.682 734 D CB -0.178 40.600 40.800 -0.037 0.000 1.068 734 D HN 0.396 nan 8.370 nan 0.000 0.429 735 R N -0.524 119.927 120.500 -0.082 0.000 2.062 735 R HA 0.118 4.458 4.340 -0.000 0.000 0.226 735 R C 1.104 177.392 176.300 -0.020 0.000 1.125 735 R CA 0.576 56.644 56.100 -0.055 0.000 0.966 735 R CB -0.087 30.160 30.300 -0.088 0.000 0.861 735 R HN 0.329 nan 8.270 nan 0.000 0.433 736 L N 1.256 122.437 121.223 -0.071 0.000 2.421 736 L HA 0.166 4.506 4.340 -0.000 0.000 0.263 736 L C 1.936 178.800 176.870 -0.009 0.000 1.122 736 L CA -0.433 54.371 54.840 -0.060 0.000 0.804 736 L CB 0.601 42.538 42.059 -0.203 0.000 1.150 736 L HN 0.004 nan 8.230 nan 0.000 0.457 737 L N 0.598 121.866 121.223 0.075 0.000 2.127 737 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 737 L C 1.102 178.005 176.870 0.054 0.000 1.089 737 L CA 1.371 56.323 54.840 0.187 0.000 0.757 737 L CB -0.572 41.843 42.059 0.595 0.000 0.899 737 L HN 0.801 nan 8.230 nan 0.000 0.434 738 T N -4.071 110.439 114.554 -0.073 0.000 3.250 738 T HA 0.271 4.621 4.350 -0.000 0.000 0.391 738 T C -1.525 173.088 174.700 -0.145 0.000 1.502 738 T CA -1.877 60.140 62.100 -0.140 0.000 1.320 738 T CB 0.913 69.650 68.868 -0.219 0.000 1.102 738 T HN -0.056 nan 8.240 nan 0.000 0.610 739 P HA -0.184 nan 4.420 nan 0.000 0.218 739 P C 0.841 178.053 177.300 -0.146 0.000 1.150 739 P CA 1.214 64.237 63.100 -0.129 0.000 0.841 739 P CB 0.164 31.816 31.700 -0.079 0.000 0.784 740 N N 0.152 118.781 118.700 -0.118 0.000 2.398 740 N HA 0.003 4.743 4.740 -0.000 0.000 0.188 740 N C 0.758 176.207 175.510 -0.102 0.000 1.122 740 N CA 0.541 53.535 53.050 -0.092 0.000 0.866 740 N CB 0.344 38.793 38.487 -0.064 0.000 0.970 740 N HN 0.575 nan 8.380 nan 0.000 0.462 741 E N -1.188 118.915 120.200 -0.162 0.000 2.422 741 E HA 0.209 4.559 4.350 -0.000 0.000 0.280 741 E C -1.618 174.854 176.600 -0.214 0.000 1.091 741 E CA -0.755 55.570 56.400 -0.125 0.000 0.849 741 E CB 0.290 29.933 29.700 -0.096 0.000 1.353 741 E HN -0.243 nan 8.360 nan 0.000 0.449 742 F N 1.372 121.245 119.950 -0.128 0.000 2.350 742 F HA 0.282 4.809 4.527 -0.000 0.000 0.365 742 F C 0.201 175.877 175.800 -0.208 0.000 1.122 742 F CA -0.386 57.556 58.000 -0.098 0.000 1.139 742 F CB 1.254 40.235 39.000 -0.032 0.000 1.220 742 F HN 0.239 nan 8.300 nan 0.000 0.499 743 E N 4.669 124.834 120.200 -0.058 0.000 2.130 743 E HA 0.214 4.564 4.350 -0.000 0.000 0.284 743 E C 0.779 177.248 176.600 -0.218 0.000 1.018 743 E CA -0.132 56.183 56.400 -0.142 0.000 0.817 743 E CB 1.514 31.136 29.700 -0.130 0.000 1.078 743 E HN 0.688 nan 8.360 nan 0.000 0.396 744 I N 2.839 123.137 120.570 -0.452 0.000 2.333 744 I HA -0.142 4.028 4.170 -0.000 0.000 0.246 744 I C 0.842 176.797 176.117 -0.270 0.000 1.106 744 I CA 1.090 61.904 61.300 -0.810 0.000 1.411 744 I CB 0.064 37.391 38.000 -1.121 0.000 1.082 744 I HN 0.408 nan 8.210 nan 0.000 0.420 745 K N 0.453 120.800 120.400 -0.088 0.000 2.532 745 K HA 0.663 4.983 4.320 -0.000 0.000 0.265 745 K C -0.980 175.647 176.600 0.045 0.000 0.948 745 K CA -0.905 55.429 56.287 0.077 0.000 0.842 745 K CB 2.108 34.743 32.500 0.226 0.000 1.392 745 K HN -0.156 nan 8.250 nan 0.000 0.436 746 R N 0.501 121.047 120.500 0.076 0.000 2.740 746 R HA 0.368 4.708 4.340 -0.000 0.000 0.282 746 R C -0.987 175.355 176.300 0.071 0.000 0.969 746 R CA -1.100 55.029 56.100 0.048 0.000 0.918 746 R CB 2.311 32.633 30.300 0.037 0.000 1.175 746 R HN 0.884 nan 8.270 nan 0.000 0.464 747 S N 0.835 116.564 115.700 0.049 0.000 2.423 747 S HA 0.193 4.663 4.470 -0.000 0.000 0.317 747 S C 1.195 175.825 174.600 0.049 0.000 1.065 747 S CA -0.702 57.531 58.200 0.055 0.000 1.111 747 S CB 1.066 64.291 63.200 0.042 0.000 0.968 747 S HN 0.535 nan 8.310 nan 0.000 0.474 748 V N 1.975 121.925 119.914 0.060 0.000 0.575 748 V HA -0.458 3.662 4.120 -0.000 0.000 0.092 748 V C 2.088 178.210 176.094 0.046 0.000 1.949 748 V CA 2.551 64.882 62.300 0.052 0.000 3.444 748 V CB -1.922 29.925 31.823 0.040 0.000 0.743 748 V HN 0.842 nan 8.190 nan 0.000 0.767 749 D N 0.916 121.337 120.400 0.036 0.000 2.203 749 D HA -0.077 4.563 4.640 -0.000 0.000 0.199 749 D C 1.591 177.917 176.300 0.043 0.000 0.997 749 D CA 1.957 55.975 54.000 0.031 0.000 0.863 749 D CB -0.334 40.476 40.800 0.018 0.000 0.928 749 D HN 0.776 nan 8.370 nan 0.000 0.458 750 G N -0.008 108.823 108.800 0.052 0.000 4.547 750 G HA2 0.050 4.010 3.960 -0.000 0.000 0.301 750 G HA3 0.050 4.010 3.960 -0.000 0.000 0.301 750 G C 0.911 175.890 174.900 0.131 0.000 1.240 750 G CA -0.367 44.783 45.100 0.083 0.000 0.970 750 G HN -0.048 nan 8.290 nan 0.000 0.574 751 E N 0.730 120.992 120.200 0.103 0.000 2.160 751 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 751 E C 2.539 179.202 176.600 0.105 0.000 0.991 751 E CA 1.182 57.642 56.400 0.100 0.000 0.810 751 E CB 0.001 29.743 29.700 0.071 0.000 0.742 751 E HN 0.452 nan 8.360 nan 0.000 0.466 752 G N -0.077 108.785 108.800 0.105 0.000 2.442 752 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 752 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 752 G C 1.388 176.315 174.900 0.046 0.000 1.141 752 G CA 0.597 45.732 45.100 0.057 0.000 0.763 752 G HN 0.268 nan 8.290 nan 0.000 0.554 753 Y N 1.281 121.600 120.300 0.031 0.000 2.224 753 Y HA -0.018 4.532 4.550 -0.000 0.000 0.289 753 Y C 1.221 177.146 175.900 0.041 0.000 1.146 753 Y CA 0.704 58.826 58.100 0.036 0.000 1.182 753 Y CB -0.150 38.329 38.460 0.032 0.000 0.983 753 Y HN 0.082 nan 8.280 nan 0.000 0.524 754 N N 0.383 119.200 118.700 0.195 0.000 2.454 754 N HA 0.164 4.904 4.740 -0.000 0.000 0.254 754 N C -0.183 175.367 175.510 0.066 0.000 1.228 754 N CA 0.343 53.473 53.050 0.134 0.000 0.900 754 N CB 0.866 39.430 38.487 0.129 0.000 1.089 754 N HN 0.045 nan 8.380 nan 0.000 0.449 755 V N -2.216 117.710 119.914 0.021 0.000 3.182 755 V HA 0.843 4.963 4.120 -0.000 0.000 0.311 755 V C 0.937 176.964 176.094 -0.113 0.000 1.221 755 V CA -0.702 61.551 62.300 -0.078 0.000 1.060 755 V CB 0.672 32.375 31.823 -0.201 0.000 1.164 755 V HN 0.729 nan 8.190 nan 0.000 0.466 756 A N -0.695 122.000 122.820 -0.208 0.000 2.799 756 A HA -0.293 4.027 4.320 -0.000 0.000 0.274 756 A C 0.997 178.566 177.584 -0.025 0.000 1.393 756 A CA 1.818 53.761 52.037 -0.156 0.000 0.909 756 A CB -2.463 16.420 19.000 -0.194 0.000 1.012 756 A HN 1.646 nan 8.150 nan 0.000 0.653 757 Q N -4.235 115.562 119.800 -0.005 0.000 2.487 757 Q HA -0.259 4.081 4.340 -0.000 0.000 0.279 757 Q C 0.300 176.338 176.000 0.063 0.000 1.228 757 Q CA 1.112 56.931 55.803 0.027 0.000 0.873 757 Q CB -2.721 26.025 28.738 0.014 0.000 1.260 757 Q HN 2.149 nan 8.270 nan 0.000 0.471 758 C N -2.723 116.638 119.300 0.101 0.000 3.292 758 C HA 0.564 5.024 4.460 -0.000 0.000 0.369 758 C C 1.257 176.368 174.990 0.202 0.000 1.664 758 C CA -0.265 58.856 59.018 0.171 0.000 1.204 758 C CB 0.828 28.697 27.740 0.214 0.000 1.978 758 C HN 0.474 nan 8.230 nan 0.000 0.435 759 N N 0.647 119.516 118.700 0.282 0.000 2.449 759 N HA 0.030 4.770 4.740 -0.000 0.000 0.191 759 N C 0.225 175.900 175.510 0.275 0.000 1.161 759 N CA 0.067 53.273 53.050 0.261 0.000 0.863 759 N CB -0.278 38.365 38.487 0.260 0.000 0.980 759 N HN 0.893 nan 8.380 nan 0.000 0.458 760 M N 1.734 121.498 119.600 0.273 0.000 2.242 760 M HA 0.075 4.555 4.480 -0.000 0.000 0.344 760 M C 0.154 176.551 176.300 0.162 0.000 1.140 760 M CA -0.270 55.148 55.300 0.197 0.000 1.160 760 M CB 0.860 33.519 32.600 0.098 0.000 1.491 760 M HN 0.205 nan 8.290 nan 0.000 0.459 761 T N 1.170 115.826 114.554 0.170 0.000 2.899 761 T HA 0.313 4.663 4.350 -0.000 0.000 0.284 761 T C 0.740 175.566 174.700 0.211 0.000 1.004 761 T CA -0.677 61.536 62.100 0.188 0.000 1.043 761 T CB 1.128 70.090 68.868 0.158 0.000 1.013 761 T HN 0.798 nan 8.240 nan 0.000 0.518 762 K N 0.483 121.018 120.400 0.226 0.000 2.057 762 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 762 K C 1.825 178.558 176.600 0.222 0.000 1.049 762 K CA 1.579 57.990 56.287 0.208 0.000 0.931 762 K CB -0.193 32.413 32.500 0.177 0.000 0.714 762 K HN 0.600 nan 8.250 nan 0.000 0.440 763 D N 0.223 120.752 120.400 0.215 0.000 2.106 763 D HA -0.231 4.409 4.640 -0.000 0.000 0.191 763 D C 1.487 177.860 176.300 0.123 0.000 0.997 763 D CA 0.921 55.009 54.000 0.146 0.000 0.834 763 D CB -0.282 40.584 40.800 0.109 0.000 0.956 763 D HN 0.373 nan 8.370 nan 0.000 0.448 764 W N 0.324 121.587 121.300 -0.061 0.000 2.388 764 W HA -0.212 4.448 4.660 -0.000 0.000 0.294 764 W C 2.039 178.415 176.519 -0.238 0.000 1.212 764 W CA 0.373 57.615 57.345 -0.173 0.000 1.271 764 W CB -0.410 28.921 29.460 -0.216 0.000 1.126 764 W HN -0.089 nan 8.180 nan 0.000 0.535 765 F N 1.247 121.075 119.950 -0.203 0.000 2.171 765 F HA -0.231 4.296 4.527 -0.000 0.000 0.300 765 F C 2.244 177.844 175.800 -0.334 0.000 1.090 765 F CA 1.764 59.550 58.000 -0.358 0.000 1.293 765 F CB -0.983 37.843 39.000 -0.289 0.000 1.013 765 F HN -0.147 nan 8.300 nan 0.000 0.486 766 L N -0.228 120.901 121.223 -0.157 0.000 2.056 766 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 766 L C 2.169 178.834 176.870 -0.342 0.000 1.078 766 L CA 1.695 56.483 54.840 -0.087 0.000 0.749 766 L CB -1.011 41.097 42.059 0.082 0.000 0.901 766 L HN 0.028 nan 8.230 nan 0.000 0.433 767 V N -0.305 119.324 119.914 -0.476 0.000 2.343 767 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 767 V C 2.676 178.315 176.094 -0.758 0.000 1.051 767 V CA 1.642 63.540 62.300 -0.670 0.000 1.036 767 V CB -0.801 30.539 31.823 -0.805 0.000 0.654 767 V HN 0.503 nan 8.190 nan 0.000 0.451 768 Q N -0.994 118.184 119.800 -1.036 0.000 2.119 768 Q HA -0.089 4.251 4.340 -0.000 0.000 0.201 768 Q C 2.231 177.790 176.000 -0.735 0.000 0.972 768 Q CA 1.255 56.397 55.803 -1.101 0.000 0.847 768 Q CB -0.418 27.251 28.738 -1.782 0.000 0.903 768 Q HN 0.463 nan 8.270 nan 0.000 0.433 769 M N -0.016 119.210 119.600 -0.623 0.000 2.175 769 M HA -0.065 4.415 4.480 -0.000 0.000 0.264 769 M C 2.269 178.455 176.300 -0.190 0.000 1.063 769 M CA 1.078 56.217 55.300 -0.268 0.000 1.119 769 M CB -0.870 31.539 32.600 -0.319 0.000 1.377 769 M HN 0.160 nan 8.290 nan 0.000 0.415 770 L N -0.411 120.655 121.223 -0.261 0.000 2.027 770 L HA -0.127 4.213 4.340 -0.000 0.000 0.206 770 L C 2.707 179.479 176.870 -0.163 0.000 1.074 770 L CA 1.154 55.887 54.840 -0.178 0.000 0.745 770 L CB -0.901 41.065 42.059 -0.155 0.000 0.898 770 L HN 0.243 nan 8.230 nan 0.000 0.433 771 A N 0.225 122.901 122.820 -0.241 0.000 1.940 771 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 771 A C 1.966 179.371 177.584 -0.298 0.000 1.176 771 A CA 2.370 54.270 52.037 -0.228 0.000 0.631 771 A CB -0.641 18.181 19.000 -0.296 0.000 0.814 771 A HN 0.483 nan 8.150 nan 0.000 0.446 772 N N -2.401 116.017 118.700 -0.470 0.000 2.336 772 N HA 0.056 4.796 4.740 -0.000 0.000 0.177 772 N C 0.554 175.552 175.510 -0.854 0.000 1.018 772 N CA 1.342 53.924 53.050 -0.780 0.000 0.878 772 N CB -0.001 37.722 38.487 -1.274 0.000 0.997 772 N HN 0.623 nan 8.380 nan 0.000 0.433 773 Y N -1.421 118.823 120.300 -0.093 0.000 2.610 773 Y HA 0.396 4.946 4.550 -0.000 0.000 0.254 773 Y C -0.085 175.765 175.900 -0.084 0.000 1.110 773 Y CA -0.747 57.297 58.100 -0.094 0.000 1.238 773 Y CB -0.476 37.902 38.460 -0.136 0.000 1.322 773 Y HN -0.104 nan 8.280 nan 0.000 0.547 774 N N 0.669 119.376 118.700 0.012 0.000 2.782 774 N HA -0.190 4.550 4.740 -0.000 0.000 0.251 774 N C -0.716 174.789 175.510 -0.008 0.000 1.101 774 N CA 0.340 53.399 53.050 0.015 0.000 0.764 774 N CB -1.003 37.516 38.487 0.052 0.000 1.122 774 N HN 0.261 nan 8.380 nan 0.000 0.561 775 I N -0.195 120.343 120.570 -0.054 0.000 2.353 775 I HA 0.416 4.586 4.170 -0.000 0.000 0.293 775 I C 1.394 177.368 176.117 -0.238 0.000 0.992 775 I CA 0.366 61.566 61.300 -0.168 0.000 1.268 775 I CB 1.584 39.399 38.000 -0.308 0.000 1.387 775 I HN 0.271 nan 8.210 nan 0.000 0.478 776 G N 3.950 112.525 108.800 -0.374 0.000 3.685 776 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.215 776 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.215 776 G C 0.395 174.912 174.900 -0.638 0.000 0.987 776 G CA -0.247 44.463 45.100 -0.650 0.000 0.884 776 G HN 0.461 nan 8.290 nan 0.000 0.406 777 Y N 1.346 121.533 120.300 -0.188 0.000 2.544 777 Y HA 0.381 4.931 4.550 -0.000 0.000 0.286 777 Y C 2.085 177.915 175.900 -0.116 0.000 1.141 777 Y CA 1.088 59.109 58.100 -0.132 0.000 1.299 777 Y CB 0.528 38.948 38.460 -0.066 0.000 1.030 777 Y HN 0.250 nan 8.280 nan 0.000 0.543 778 Q N -0.058 119.748 119.800 0.011 0.000 2.333 778 Q HA 0.437 4.777 4.340 -0.000 0.000 0.365 778 Q C -0.076 175.942 176.000 0.029 0.000 0.882 778 Q CA -0.113 55.709 55.803 0.031 0.000 1.124 778 Q CB 1.063 29.846 28.738 0.076 0.000 1.345 778 Q HN 0.358 nan 8.270 nan 0.000 0.409 779 G N 0.510 109.244 108.800 -0.109 0.000 2.675 779 G HA2 -0.173 3.788 3.960 -0.000 0.000 0.686 779 G HA3 -0.173 3.788 3.960 -0.000 0.000 0.686 779 G C -1.205 173.611 174.900 -0.140 0.000 1.215 779 G CA -1.053 44.008 45.100 -0.065 0.000 0.777 779 G HN 0.130 nan 8.290 nan 0.000 0.638 780 F N 1.426 121.437 119.950 0.101 0.000 2.436 780 F HA 0.826 5.353 4.527 -0.000 0.000 0.340 780 F C 0.669 176.502 175.800 0.055 0.000 1.113 780 F CA -0.432 57.560 58.000 -0.013 0.000 1.022 780 F CB 1.590 40.674 39.000 0.139 0.000 1.128 780 F HN 0.736 nan 8.300 nan 0.000 0.466 781 Y N 0.102 120.495 120.300 0.156 0.000 2.656 781 Y HA 0.619 5.169 4.550 -0.000 0.000 0.334 781 Y C -1.043 174.733 175.900 -0.208 0.000 1.179 781 Y CA -2.093 56.004 58.100 -0.004 0.000 1.050 781 Y CB 0.480 38.922 38.460 -0.030 0.000 1.308 781 Y HN 0.341 nan 8.280 nan 0.000 0.456 782 I N 4.773 125.260 120.570 -0.138 0.000 2.668 782 I HA 0.126 4.296 4.170 -0.000 0.000 0.285 782 I C -1.908 173.967 176.117 -0.404 0.000 1.168 782 I CA -1.432 59.543 61.300 -0.542 0.000 1.424 782 I CB 0.505 38.314 38.000 -0.318 0.000 1.377 782 I HN 0.416 nan 8.210 nan 0.000 0.560 783 P HA 0.105 nan 4.420 nan 0.000 0.272 783 P C -0.703 176.363 177.300 -0.389 0.000 1.230 783 P CA -0.400 62.331 63.100 -0.616 0.000 0.788 783 P CB 0.568 31.497 31.700 -1.285 0.000 0.949 784 E N 0.349 120.360 120.200 -0.315 0.000 2.414 784 E HA 0.027 4.377 4.350 -0.000 0.000 0.263 784 E C 1.335 177.738 176.600 -0.329 0.000 1.000 784 E CA -0.011 56.217 56.400 -0.287 0.000 0.914 784 E CB 0.161 29.632 29.700 -0.381 0.000 0.948 784 E HN 0.301 nan 8.360 nan 0.000 0.444 785 S N 2.320 117.945 115.700 -0.126 0.000 2.381 785 S HA -0.296 4.174 4.470 -0.000 0.000 0.230 785 S C 1.776 176.367 174.600 -0.015 0.000 1.052 785 S CA 1.998 60.175 58.200 -0.039 0.000 1.068 785 S CB -0.523 62.703 63.200 0.042 0.000 0.918 785 S HN 0.694 nan 8.310 nan 0.000 0.448 786 Y N 1.153 121.464 120.300 0.018 0.000 2.497 786 Y HA 0.161 4.711 4.550 -0.000 0.000 0.292 786 Y C 1.649 177.585 175.900 0.061 0.000 1.137 786 Y CA 0.594 58.712 58.100 0.030 0.000 1.285 786 Y CB -0.444 38.029 38.460 0.022 0.000 0.991 786 Y HN 0.087 nan 8.280 nan 0.000 0.556 787 K N -0.347 119.827 120.400 -0.377 0.000 2.352 787 K HA 0.006 4.326 4.320 -0.000 0.000 0.194 787 K C -0.135 176.537 176.600 0.120 0.000 1.038 787 K CA 0.541 56.753 56.287 -0.124 0.000 1.023 787 K CB 0.257 32.633 32.500 -0.207 0.000 0.840 787 K HN 0.117 nan 8.250 nan 0.000 0.519 788 D N 2.128 122.554 120.400 0.043 0.000 2.638 788 D HA 0.046 4.686 4.640 -0.000 0.000 0.245 788 D C -0.052 176.318 176.300 0.116 0.000 1.176 788 D CA -0.259 53.835 54.000 0.155 0.000 0.996 788 D CB 0.232 41.032 40.800 0.001 0.000 1.012 788 D HN -0.091 nan 8.370 nan 0.000 0.515 789 R N 1.099 121.673 120.500 0.124 0.000 2.954 789 R HA 0.118 4.458 4.340 -0.000 0.000 0.276 789 R C 1.543 177.850 176.300 0.011 0.000 1.218 789 R CA -0.498 55.639 56.100 0.062 0.000 1.149 789 R CB -0.328 30.018 30.300 0.077 0.000 1.112 789 R HN 0.341 nan 8.270 nan 0.000 0.577 790 M N 0.067 119.603 119.600 -0.108 0.000 2.159 790 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 790 M C 0.423 176.556 176.300 -0.278 0.000 1.063 790 M CA 1.850 56.986 55.300 -0.274 0.000 1.110 790 M CB 0.115 32.404 32.600 -0.519 0.000 1.374 790 M HN 0.419 nan 8.290 nan 0.000 0.411 791 Y N -0.166 120.172 120.300 0.064 0.000 2.571 791 Y HA 0.335 4.885 4.550 -0.000 0.000 0.275 791 Y C 0.739 176.688 175.900 0.082 0.000 1.179 791 Y CA -0.576 57.571 58.100 0.079 0.000 1.242 791 Y CB -0.359 38.145 38.460 0.074 0.000 1.126 791 Y HN 0.016 nan 8.280 nan 0.000 0.524 792 S N 0.211 116.029 115.700 0.196 0.000 2.632 792 S HA 0.062 4.532 4.470 -0.000 0.000 0.267 792 S C 0.952 175.697 174.600 0.241 0.000 1.276 792 S CA -0.664 57.657 58.200 0.201 0.000 0.998 792 S CB 0.612 63.967 63.200 0.258 0.000 0.953 792 S HN 0.374 nan 8.310 nan 0.000 0.547 793 F N 1.601 121.620 119.950 0.115 0.000 2.031 793 F HA -0.078 4.449 4.527 -0.000 0.000 0.295 793 F C 1.828 177.782 175.800 0.256 0.000 1.133 793 F CA 1.371 59.449 58.000 0.130 0.000 1.188 793 F CB -0.768 38.247 39.000 0.025 0.000 0.974 793 F HN 0.647 nan 8.300 nan 0.000 0.473 794 F N 1.416 121.210 119.950 -0.261 0.000 2.065 794 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 794 F C 2.743 178.467 175.800 -0.125 0.000 1.112 794 F CA 2.310 60.099 58.000 -0.352 0.000 1.212 794 F CB -0.667 38.240 39.000 -0.155 0.000 0.975 794 F HN 0.018 nan 8.300 nan 0.000 0.476 795 R N 0.891 121.438 120.500 0.078 0.000 2.154 795 R HA -0.192 4.148 4.340 -0.000 0.000 0.248 795 R C 1.312 177.566 176.300 -0.077 0.000 1.155 795 R CA 2.218 58.325 56.100 0.013 0.000 0.979 795 R CB -0.713 29.633 30.300 0.076 0.000 0.869 795 R HN 0.355 nan 8.270 nan 0.000 0.452 796 N N -0.792 117.880 118.700 -0.047 0.000 2.205 796 N HA -0.029 4.711 4.740 -0.000 0.000 0.201 796 N C -0.770 174.762 175.510 0.036 0.000 1.128 796 N CA -0.087 52.972 53.050 0.016 0.000 0.867 796 N CB 0.265 38.819 38.487 0.112 0.000 0.996 796 N HN 0.079 nan 8.380 nan 0.000 0.503 797 F N 3.089 122.844 119.950 -0.324 0.000 2.471 797 F HA 0.176 4.703 4.527 -0.000 0.000 0.365 797 F C -0.032 175.650 175.800 -0.197 0.000 1.095 797 F CA -0.250 57.575 58.000 -0.292 0.000 1.174 797 F CB 0.531 39.129 39.000 -0.670 0.000 1.105 797 F HN -0.171 nan 8.300 nan 0.000 0.535 798 Q N 8.917 128.467 119.800 -0.417 0.000 2.674 798 Q HA 0.279 4.619 4.340 -0.000 0.000 0.249 798 Q C -2.642 173.106 176.000 -0.419 0.000 1.011 798 Q CA -1.933 53.622 55.803 -0.413 0.000 0.734 798 Q CB 1.442 30.083 28.738 -0.162 0.000 1.201 798 Q HN 0.450 nan 8.270 nan 0.000 0.498 799 P HA 0.268 nan 4.420 nan 0.000 0.275 799 P C -0.516 176.716 177.300 -0.113 0.000 1.227 799 P CA -0.105 62.803 63.100 -0.320 0.000 0.781 799 P CB 1.073 32.544 31.700 -0.381 0.000 0.906 800 M N 1.129 120.739 119.600 0.017 0.000 2.531 800 M HA 0.440 4.920 4.480 -0.000 0.000 0.286 800 M C -0.459 176.044 176.300 0.339 0.000 1.232 800 M CA -0.364 55.012 55.300 0.127 0.000 0.877 800 M CB 2.714 35.323 32.600 0.016 0.000 1.726 800 M HN 0.196 nan 8.290 nan 0.000 0.463 801 S N 0.526 116.472 115.700 0.410 0.000 2.579 801 S HA 0.874 5.344 4.470 -0.000 0.000 0.272 801 S C -1.476 173.174 174.600 0.083 0.000 1.141 801 S CA -0.955 57.427 58.200 0.303 0.000 0.843 801 S CB 2.734 66.011 63.200 0.129 0.000 1.122 801 S HN 0.792 nan 8.310 nan 0.000 0.468 802 R N 0.606 120.948 120.500 -0.264 0.000 2.728 802 R HA 0.695 5.035 4.340 -0.000 0.000 0.274 802 R C -2.118 173.965 176.300 -0.361 0.000 1.030 802 R CA -0.956 54.877 56.100 -0.445 0.000 0.876 802 R CB 0.739 30.425 30.300 -1.023 0.000 1.259 802 R HN 0.417 nan 8.270 nan 0.000 0.468 803 Q N 0.221 119.851 119.800 -0.283 0.000 2.351 803 Q HA 0.715 5.055 4.340 -0.000 0.000 0.273 803 Q C -1.177 174.697 176.000 -0.211 0.000 1.077 803 Q CA -0.679 55.000 55.803 -0.206 0.000 0.843 803 Q CB 2.894 31.550 28.738 -0.137 0.000 1.367 803 Q HN 0.610 nan 8.270 nan 0.000 0.449 804 V N -2.235 117.580 119.914 -0.165 0.000 3.120 804 V HA 0.697 4.817 4.120 -0.000 0.000 0.303 804 V C -0.366 175.658 176.094 -0.118 0.000 1.238 804 V CA -1.412 60.812 62.300 -0.127 0.000 1.008 804 V CB 1.222 32.978 31.823 -0.112 0.000 1.064 804 V HN 0.650 nan 8.190 nan 0.000 0.434 805 V N -0.437 119.416 119.914 -0.102 0.000 2.720 805 V HA 0.193 4.313 4.120 -0.000 0.000 0.307 805 V C 0.394 176.377 176.094 -0.184 0.000 1.071 805 V CA 0.443 62.635 62.300 -0.181 0.000 1.199 805 V CB 0.266 31.973 31.823 -0.193 0.000 0.900 805 V HN 1.056 nan 8.190 nan 0.000 0.494 806 D N 4.318 124.606 120.400 -0.186 0.000 2.374 806 D HA 0.043 4.683 4.640 -0.000 0.000 0.240 806 D C 1.101 177.255 176.300 -0.243 0.000 1.229 806 D CA -0.068 53.833 54.000 -0.164 0.000 0.895 806 D CB 0.965 41.705 40.800 -0.100 0.000 1.046 806 D HN 0.863 nan 8.370 nan 0.000 0.498 807 D N 1.568 121.714 120.400 -0.423 0.000 2.384 807 D HA -0.160 4.480 4.640 -0.000 0.000 0.222 807 D C 1.166 177.236 176.300 -0.383 0.000 0.976 807 D CA 0.630 54.142 54.000 -0.813 0.000 0.915 807 D CB -0.071 40.142 40.800 -0.977 0.000 0.896 807 D HN 0.415 nan 8.370 nan 0.000 0.523 808 T N -3.535 110.905 114.554 -0.190 0.000 3.044 808 T HA 0.254 4.604 4.350 -0.000 0.000 0.260 808 T C 1.398 176.071 174.700 -0.045 0.000 1.019 808 T CA -0.407 61.639 62.100 -0.090 0.000 0.921 808 T CB 0.357 69.185 68.868 -0.066 0.000 1.053 808 T HN 0.022 nan 8.240 nan 0.000 0.533 809 K N -0.494 119.886 120.400 -0.032 0.000 2.502 809 K HA 0.221 4.541 4.320 -0.000 0.000 0.211 809 K C -0.652 175.983 176.600 0.059 0.000 1.259 809 K CA -0.401 55.889 56.287 0.004 0.000 0.983 809 K CB 0.709 33.206 32.500 -0.003 0.000 1.054 809 K HN 0.300 nan 8.250 nan 0.000 0.572 810 Y N 3.441 123.690 120.300 -0.085 0.000 2.556 810 Y HA 0.102 4.652 4.550 -0.000 0.000 0.352 810 Y C 0.843 176.736 175.900 -0.011 0.000 1.006 810 Y CA -0.594 57.466 58.100 -0.068 0.000 1.277 810 Y CB 0.262 38.647 38.460 -0.125 0.000 1.136 810 Y HN -0.101 nan 8.280 nan 0.000 0.523 811 K N 2.290 122.517 120.400 -0.288 0.000 2.077 811 K HA -0.224 4.096 4.320 -0.000 0.000 0.213 811 K C 0.582 176.937 176.600 -0.409 0.000 1.051 811 K CA 2.157 58.271 56.287 -0.288 0.000 0.929 811 K CB 0.076 32.454 32.500 -0.202 0.000 0.715 811 K HN 0.689 nan 8.250 nan 0.000 0.451 812 D N -0.232 119.666 120.400 -0.836 0.000 2.319 812 D HA -0.060 4.580 4.640 -0.000 0.000 0.230 812 D C -0.036 176.057 176.300 -0.346 0.000 1.094 812 D CA 0.027 53.693 54.000 -0.557 0.000 0.856 812 D CB -0.320 40.214 40.800 -0.444 0.000 0.915 812 D HN 0.139 nan 8.370 nan 0.000 0.517 813 Y N 2.353 122.405 120.300 -0.413 0.000 2.811 813 Y HA -0.059 4.491 4.550 -0.000 0.000 0.334 813 Y C 0.096 176.056 175.900 0.100 0.000 1.247 813 Y CA 0.525 58.625 58.100 0.001 0.000 1.526 813 Y CB 0.355 38.842 38.460 0.046 0.000 1.284 813 Y HN -0.154 nan 8.280 nan 0.000 0.586 814 Q N 5.784 125.218 119.800 -0.609 0.000 2.263 814 Q HA 0.148 4.488 4.340 -0.000 0.000 0.266 814 Q C -1.341 174.261 176.000 -0.662 0.000 1.002 814 Q CA -0.706 54.825 55.803 -0.453 0.000 0.790 814 Q CB 2.006 30.678 28.738 -0.110 0.000 1.272 814 Q HN 0.786 nan 8.270 nan 0.000 0.435 815 Q N 2.407 121.916 119.800 -0.484 0.000 2.323 815 Q HA 0.419 4.759 4.340 -0.000 0.000 0.257 815 Q C -1.059 174.910 176.000 -0.052 0.000 1.022 815 Q CA -0.166 55.535 55.803 -0.171 0.000 0.919 815 Q CB 0.668 29.452 28.738 0.077 0.000 1.220 815 Q HN 0.360 nan 8.270 nan 0.000 0.427 816 V N 3.639 123.541 119.914 -0.020 0.000 2.487 816 V HA 0.593 4.713 4.120 -0.000 0.000 0.298 816 V C 0.551 176.601 176.094 -0.074 0.000 1.028 816 V CA -0.726 61.553 62.300 -0.036 0.000 0.860 816 V CB 1.567 33.346 31.823 -0.074 0.000 0.991 816 V HN 0.859 nan 8.190 nan 0.000 0.427 817 G N 2.272 111.061 108.800 -0.018 0.000 2.522 817 G HA2 0.504 4.464 3.960 -0.000 0.000 0.304 817 G HA3 0.504 4.464 3.960 -0.000 0.000 0.304 817 G C 0.852 175.678 174.900 -0.123 0.000 1.210 817 G CA -0.537 44.531 45.100 -0.053 0.000 0.960 817 G HN 0.741 nan 8.290 nan 0.000 0.497 818 I N -0.537 119.954 120.570 -0.131 0.000 2.236 818 I HA -0.218 3.952 4.170 -0.000 0.000 0.249 818 I C 2.488 178.529 176.117 -0.125 0.000 1.102 818 I CA 1.097 62.315 61.300 -0.136 0.000 1.365 818 I CB -0.990 36.952 38.000 -0.097 0.000 1.051 818 I HN 0.364 nan 8.210 nan 0.000 0.420 819 L N -0.261 120.857 121.223 -0.174 0.000 2.129 819 L HA -0.246 4.093 4.340 -0.000 0.000 0.212 819 L C 1.688 178.298 176.870 -0.432 0.000 1.087 819 L CA 1.812 56.466 54.840 -0.311 0.000 0.757 819 L CB -0.711 41.088 42.059 -0.433 0.000 0.896 819 L HN 0.467 nan 8.230 nan 0.000 0.434 820 H N -2.595 116.493 119.070 0.029 0.000 2.785 820 H HA 0.232 4.788 4.556 -0.000 0.000 0.268 820 H C -0.123 175.194 175.328 -0.018 0.000 1.153 820 H CA -0.359 55.706 56.048 0.029 0.000 1.111 820 H CB 0.388 30.149 29.762 -0.001 0.000 1.633 820 H HN 0.294 nan 8.280 nan 0.000 0.576 821 Q N 1.367 121.159 119.800 -0.014 0.000 2.243 821 Q HA 0.298 4.638 4.340 -0.000 0.000 0.252 821 Q C -0.655 175.372 176.000 0.044 0.000 0.909 821 Q CA -0.668 55.063 55.803 -0.120 0.000 0.922 821 Q CB 1.156 29.686 28.738 -0.346 0.000 1.215 821 Q HN 0.528 nan 8.270 nan 0.000 0.427 822 H N -0.350 118.761 119.070 0.067 0.000 2.840 822 H HA 0.565 5.121 4.556 -0.000 0.000 0.340 822 H C -1.462 173.922 175.328 0.094 0.000 1.004 822 H CA -0.953 55.149 56.048 0.090 0.000 1.288 822 H CB 1.088 30.888 29.762 0.064 0.000 1.607 822 H HN 0.430 nan 8.280 nan 0.000 0.522 823 N N 3.144 121.991 118.700 0.244 0.000 2.519 823 N HA 0.182 4.922 4.740 -0.000 0.000 0.291 823 N C -0.741 174.936 175.510 0.278 0.000 1.107 823 N CA -0.377 52.777 53.050 0.173 0.000 0.904 823 N CB 0.912 39.353 38.487 -0.076 0.000 1.500 823 N HN 0.869 nan 8.380 nan 0.000 0.510 824 N N 0.224 119.100 118.700 0.293 0.000 2.882 824 N HA -0.157 4.583 4.740 -0.000 0.000 0.249 824 N C -0.671 175.047 175.510 0.346 0.000 1.079 824 N CA 1.044 54.329 53.050 0.392 0.000 0.800 824 N CB -1.456 37.231 38.487 0.332 0.000 1.124 824 N HN 0.734 nan 8.380 nan 0.000 0.557 825 S N -0.892 114.938 115.700 0.215 0.000 2.552 825 S HA 0.396 4.866 4.470 -0.000 0.000 0.289 825 S C 1.628 176.107 174.600 -0.202 0.000 1.304 825 S CA 0.980 59.202 58.200 0.037 0.000 1.063 825 S CB 1.538 64.730 63.200 -0.013 0.000 0.848 825 S HN 1.028 nan 8.310 nan 0.000 0.499 826 G N 1.976 110.599 108.800 -0.295 0.000 2.268 826 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.240 826 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.240 826 G C 0.242 174.751 174.900 -0.652 0.000 1.010 826 G CA 0.370 45.131 45.100 -0.565 0.000 0.618 826 G HN 0.778 nan 8.290 nan 0.000 0.516 827 F N 0.538 120.496 119.950 0.014 0.000 2.706 827 F HA 0.610 5.137 4.527 -0.000 0.000 0.308 827 F C 0.987 176.787 175.800 0.001 0.000 1.095 827 F CA -0.191 57.814 58.000 0.009 0.000 1.244 827 F CB 0.846 39.859 39.000 0.022 0.000 1.063 827 F HN 0.156 nan 8.300 nan 0.000 0.582 828 V N -0.929 119.057 119.914 0.121 0.000 3.126 828 V HA 0.766 4.886 4.120 -0.000 0.000 0.314 828 V C 0.522 176.628 176.094 0.020 0.000 1.138 828 V CA -1.221 61.121 62.300 0.069 0.000 1.034 828 V CB 1.504 33.387 31.823 0.099 0.000 1.075 828 V HN 0.078 nan 8.190 nan 0.000 0.442 829 G N -0.578 108.215 108.800 -0.011 0.000 2.599 829 G HA2 0.365 4.325 3.960 -0.000 0.000 0.264 829 G HA3 0.365 4.325 3.960 -0.000 0.000 0.264 829 G C -1.243 173.694 174.900 0.062 0.000 1.200 829 G CA -0.146 44.943 45.100 -0.018 0.000 0.896 829 G HN 0.683 nan 8.290 nan 0.000 0.536 830 Y N 1.020 121.272 120.300 -0.079 0.000 2.367 830 Y HA 0.365 4.915 4.550 -0.000 0.000 0.342 830 Y C 1.053 176.930 175.900 -0.037 0.000 0.979 830 Y CA -0.958 57.106 58.100 -0.060 0.000 1.161 830 Y CB 0.333 38.746 38.460 -0.079 0.000 1.155 830 Y HN 0.464 nan 8.280 nan 0.000 0.503 831 L N 4.189 125.176 121.223 -0.393 0.000 3.976 831 L HA -0.341 3.999 4.340 -0.000 0.000 0.418 831 L C -0.212 176.611 176.870 -0.078 0.000 1.177 831 L CA 0.787 55.415 54.840 -0.354 0.000 0.968 831 L CB -2.055 39.585 42.059 -0.697 0.000 1.933 831 L HN 0.719 nan 8.230 nan 0.000 0.976 832 A N -1.248 121.532 122.820 -0.067 0.000 2.601 832 A HA 0.728 5.048 4.320 -0.000 0.000 0.291 832 A C -2.465 175.041 177.584 -0.131 0.000 1.075 832 A CA -0.635 51.374 52.037 -0.047 0.000 0.671 832 A CB 1.210 20.208 19.000 -0.003 0.000 1.277 832 A HN -0.085 nan 8.150 nan 0.000 0.417 833 P HA 0.133 nan 4.420 nan 0.000 0.243 833 P C 0.344 177.513 177.300 -0.219 0.000 1.668 833 P CA 0.494 63.394 63.100 -0.332 0.000 0.898 833 P CB -0.582 30.829 31.700 -0.481 0.000 1.637 834 T N -3.982 110.475 114.554 -0.161 0.000 2.892 834 T HA 0.410 4.760 4.350 -0.000 0.000 0.280 834 T C 0.599 175.211 174.700 -0.146 0.000 1.004 834 T CA -1.106 60.903 62.100 -0.152 0.000 0.950 834 T CB 0.487 69.257 68.868 -0.163 0.000 1.309 834 T HN -0.010 nan 8.240 nan 0.000 0.592 835 M N 1.804 121.309 119.600 -0.159 0.000 2.245 835 M HA 0.110 4.590 4.480 -0.000 0.000 0.335 835 M C 0.339 176.574 176.300 -0.109 0.000 1.155 835 M CA -0.492 54.729 55.300 -0.132 0.000 1.055 835 M CB 0.419 32.929 32.600 -0.149 0.000 1.670 835 M HN 0.771 nan 8.290 nan 0.000 0.447 836 R N 3.563 124.020 120.500 -0.073 0.000 2.734 836 R HA 0.219 4.559 4.340 -0.000 0.000 0.266 836 R C -0.746 175.502 176.300 -0.087 0.000 1.044 836 R CA 0.053 56.120 56.100 -0.055 0.000 1.128 836 R CB 0.034 30.325 30.300 -0.015 0.000 1.010 836 R HN 0.747 nan 8.270 nan 0.000 0.461 837 E N -0.358 119.783 120.200 -0.098 0.000 2.437 837 E HA 0.583 4.933 4.350 -0.000 0.000 0.280 837 E C -0.435 176.068 176.600 -0.161 0.000 1.044 837 E CA -1.063 55.261 56.400 -0.125 0.000 0.826 837 E CB 0.988 30.619 29.700 -0.114 0.000 1.358 837 E HN 0.896 nan 8.360 nan 0.000 0.459 838 G N 0.555 109.245 108.800 -0.184 0.000 2.548 838 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.208 838 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.208 838 G C -1.149 173.602 174.900 -0.249 0.000 1.308 838 G CA -0.060 44.907 45.100 -0.221 0.000 0.924 838 G HN 0.974 nan 8.290 nan 0.000 0.540 839 Q N -0.989 118.649 119.800 -0.269 0.000 2.416 839 Q HA 0.783 5.123 4.340 -0.000 0.000 0.281 839 Q C -0.051 175.808 176.000 -0.234 0.000 1.067 839 Q CA -0.370 55.282 55.803 -0.252 0.000 0.809 839 Q CB 1.906 30.526 28.738 -0.196 0.000 1.418 839 Q HN 2.224 nan 8.270 nan 0.000 0.411 840 A N 1.613 124.311 122.820 -0.203 0.000 2.507 840 A HA 0.456 4.776 4.320 -0.000 0.000 0.235 840 A C -1.124 176.571 177.584 0.185 0.000 1.070 840 A CA 0.472 52.495 52.037 -0.024 0.000 0.768 840 A CB 0.047 19.118 19.000 0.118 0.000 1.011 840 A HN 0.671 nan 8.150 nan 0.000 0.502 841 Y N 0.309 120.615 120.300 0.010 0.000 2.643 841 Y HA 0.331 4.881 4.550 -0.000 0.000 0.347 841 Y C -2.446 173.501 175.900 0.078 0.000 1.208 841 Y CA -1.324 56.774 58.100 -0.002 0.000 1.245 841 Y CB 1.288 39.672 38.460 -0.126 0.000 1.369 841 Y HN 0.663 nan 8.280 nan 0.000 0.487 842 P HA 0.301 nan 4.420 nan 0.000 0.264 842 P C -0.664 176.748 177.300 0.188 0.000 1.183 842 P CA 0.139 63.228 63.100 -0.018 0.000 0.763 842 P CB 0.707 32.318 31.700 -0.148 0.000 0.807 843 A N 3.294 126.190 122.820 0.127 0.000 2.386 843 A HA 0.156 4.476 4.320 -0.000 0.000 0.248 843 A C 1.147 178.698 177.584 -0.054 0.000 1.082 843 A CA -0.321 51.770 52.037 0.090 0.000 0.789 843 A CB -0.127 18.861 19.000 -0.019 0.000 1.025 843 A HN 0.719 nan 8.150 nan 0.000 0.490 844 N N -0.253 118.291 118.700 -0.259 0.000 2.177 844 N HA 0.230 4.970 4.740 -0.000 0.000 0.218 844 N C -0.761 174.633 175.510 -0.192 0.000 1.182 844 N CA -0.075 52.815 53.050 -0.266 0.000 0.882 844 N CB 0.311 38.534 38.487 -0.440 0.000 1.052 844 N HN 0.418 nan 8.380 nan 0.000 0.519 845 F N 0.946 120.665 119.950 -0.384 0.000 2.650 845 F HA 0.602 5.129 4.527 -0.000 0.000 0.310 845 F C -2.881 172.648 175.800 -0.452 0.000 1.112 845 F CA -1.479 56.285 58.000 -0.393 0.000 0.986 845 F CB 2.159 40.980 39.000 -0.297 0.000 1.285 845 F HN -0.198 nan 8.300 nan 0.000 0.440 846 P HA 0.278 nan 4.420 nan 0.000 0.287 846 P C -1.424 175.493 177.300 -0.638 0.000 1.296 846 P CA -0.316 61.970 63.100 -1.356 0.000 0.811 846 P CB 1.252 32.252 31.700 -1.168 0.000 1.211 847 Y N -0.181 119.886 120.300 -0.389 0.000 2.411 847 Y HA 0.200 4.750 4.550 -0.000 0.000 0.333 847 Y C -1.442 174.335 175.900 -0.205 0.000 1.186 847 Y CA -1.262 56.711 58.100 -0.212 0.000 1.381 847 Y CB -0.994 37.371 38.460 -0.160 0.000 1.273 847 Y HN 0.213 nan 8.280 nan 0.000 0.546 848 P HA 0.140 nan 4.420 nan 0.000 0.276 848 P C -0.019 177.243 177.300 -0.062 0.000 1.243 848 P CA 0.174 63.253 63.100 -0.035 0.000 0.768 848 P CB 0.581 32.269 31.700 -0.020 0.000 0.856 849 L N 3.332 124.515 121.223 -0.067 0.000 2.640 849 L HA 0.299 4.639 4.340 -0.000 0.000 0.230 849 L C 0.936 177.766 176.870 -0.065 0.000 1.123 849 L CA 0.097 54.888 54.840 -0.082 0.000 0.900 849 L CB -0.128 41.882 42.059 -0.082 0.000 1.146 849 L HN 0.387 nan 8.230 nan 0.000 0.484 850 I N -4.051 116.490 120.570 -0.050 0.000 3.042 850 I HA 0.895 5.065 4.170 -0.000 0.000 0.310 850 I C 0.423 176.523 176.117 -0.029 0.000 1.117 850 I CA -0.635 60.642 61.300 -0.037 0.000 1.003 850 I CB 1.786 39.769 38.000 -0.028 0.000 1.228 850 I HN 0.044 nan 8.210 nan 0.000 0.443 851 G N 3.257 112.043 108.800 -0.023 0.000 2.693 851 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.226 851 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.226 851 G C 0.155 175.047 174.900 -0.014 0.000 1.354 851 G CA 0.254 45.344 45.100 -0.016 0.000 0.873 851 G HN 0.925 nan 8.290 nan 0.000 0.562 852 K N -0.232 120.164 120.400 -0.007 0.000 2.097 852 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 852 K C 2.999 179.600 176.600 0.002 0.000 1.049 852 K CA 2.301 58.587 56.287 -0.001 0.000 0.933 852 K CB -0.446 32.056 32.500 0.003 0.000 0.717 852 K HN 0.796 nan 8.250 nan 0.000 0.442 853 T N -0.072 114.482 114.554 0.000 0.000 2.788 853 T HA -0.046 4.304 4.350 -0.000 0.000 0.268 853 T C 1.114 175.805 174.700 -0.016 0.000 1.044 853 T CA 0.552 62.656 62.100 0.006 0.000 1.139 853 T CB -0.427 68.443 68.868 0.004 0.000 0.867 853 T HN 0.182 nan 8.240 nan 0.000 0.454 854 A N 2.584 125.381 122.820 -0.038 0.000 2.584 854 A HA 0.437 4.757 4.320 -0.000 0.000 0.239 854 A C 0.737 178.248 177.584 -0.122 0.000 1.043 854 A CA -0.044 51.946 52.037 -0.077 0.000 0.756 854 A CB -0.418 18.543 19.000 -0.066 0.000 0.963 854 A HN 1.068 nan 8.150 nan 0.000 0.511 855 V N 1.847 121.615 119.914 -0.242 0.000 2.834 855 V HA 0.319 4.439 4.120 -0.000 0.000 0.301 855 V C 0.048 175.942 176.094 -0.334 0.000 1.066 855 V CA -1.034 60.971 62.300 -0.493 0.000 1.052 855 V CB 0.962 32.241 31.823 -0.907 0.000 1.021 855 V HN 0.789 nan 8.190 nan 0.000 0.480 856 D N 3.586 123.818 120.400 -0.280 0.000 2.487 856 D HA 0.231 4.871 4.640 -0.000 0.000 0.243 856 D C 0.408 176.608 176.300 -0.168 0.000 1.154 856 D CA 0.822 54.748 54.000 -0.123 0.000 0.876 856 D CB 0.974 41.773 40.800 -0.001 0.000 1.161 856 D HN 1.014 nan 8.370 nan 0.000 0.478 857 S N 2.025 117.650 115.700 -0.125 0.000 2.677 857 S HA 0.760 5.230 4.470 -0.000 0.000 0.304 857 S C -0.265 174.279 174.600 -0.094 0.000 1.108 857 S CA -0.970 57.155 58.200 -0.125 0.000 0.944 857 S CB 2.209 65.335 63.200 -0.122 0.000 1.127 857 S HN 0.473 nan 8.310 nan 0.000 0.511 858 I N 0.454 120.966 120.570 -0.097 0.000 2.730 858 I HA 0.526 4.696 4.170 -0.000 0.000 0.298 858 I C -1.079 174.988 176.117 -0.083 0.000 1.089 858 I CA -0.380 60.874 61.300 -0.076 0.000 1.041 858 I CB 2.375 40.333 38.000 -0.071 0.000 1.235 858 I HN 0.773 nan 8.210 nan 0.000 0.423 859 T N 5.624 120.142 114.554 -0.060 0.000 2.867 859 T HA 0.431 4.781 4.350 -0.000 0.000 0.282 859 T C -0.908 173.769 174.700 -0.038 0.000 1.000 859 T CA -0.474 61.589 62.100 -0.062 0.000 1.042 859 T CB 1.265 70.114 68.868 -0.032 0.000 0.973 859 T HN 0.498 nan 8.240 nan 0.000 0.465 860 Q N 1.877 121.640 119.800 -0.063 0.000 2.337 860 Q HA 0.528 4.868 4.340 -0.000 0.000 0.270 860 Q C -0.880 175.224 176.000 0.173 0.000 1.043 860 Q CA -0.793 55.032 55.803 0.037 0.000 0.794 860 Q CB 2.778 31.513 28.738 -0.004 0.000 1.281 860 Q HN 0.404 nan 8.270 nan 0.000 0.446 861 K N 1.981 122.531 120.400 0.249 0.000 2.316 861 K HA 0.536 4.856 4.320 -0.000 0.000 0.251 861 K C -0.992 175.780 176.600 0.288 0.000 0.934 861 K CA -0.489 55.973 56.287 0.291 0.000 0.802 861 K CB 1.740 34.356 32.500 0.192 0.000 1.171 861 K HN 0.627 nan 8.250 nan 0.000 0.426 862 K N 0.804 121.350 120.400 0.243 0.000 2.544 862 K HA 0.514 4.834 4.320 -0.000 0.000 0.282 862 K C -1.538 175.165 176.600 0.171 0.000 1.020 862 K CA -0.948 55.420 56.287 0.136 0.000 0.830 862 K CB 1.069 33.526 32.500 -0.072 0.000 1.521 862 K HN 0.421 nan 8.250 nan 0.000 0.376 863 F N -1.133 118.825 119.950 0.012 0.000 2.741 863 F HA 0.714 5.241 4.527 -0.000 0.000 0.311 863 F C -2.374 173.436 175.800 0.016 0.000 1.149 863 F CA -1.169 56.829 58.000 -0.002 0.000 0.930 863 F CB 1.039 40.138 39.000 0.165 0.000 1.312 863 F HN 0.355 nan 8.300 nan 0.000 0.450 864 L N 1.914 123.221 121.223 0.141 0.000 2.341 864 L HA 0.747 5.087 4.340 -0.000 0.000 0.267 864 L C -0.958 176.186 176.870 0.456 0.000 1.009 864 L CA -0.740 54.131 54.840 0.052 0.000 0.819 864 L CB 2.017 44.009 42.059 -0.112 0.000 1.323 864 L HN 1.020 nan 8.230 nan 0.000 0.425 865 C N 2.096 121.654 119.300 0.430 0.000 3.166 865 C HA 0.342 4.802 4.460 -0.000 0.000 0.277 865 C C -0.689 174.468 174.990 0.278 0.000 0.984 865 C CA -0.843 58.430 59.018 0.426 0.000 1.142 865 C CB -0.962 27.161 27.740 0.638 0.000 1.721 865 C HN 0.793 nan 8.230 nan 0.000 0.628 866 D N 1.659 122.240 120.400 0.301 0.000 2.371 866 D HA 0.227 4.867 4.640 -0.000 0.000 0.242 866 D C 0.982 177.508 176.300 0.378 0.000 1.218 866 D CA 0.134 54.368 54.000 0.390 0.000 0.945 866 D CB 0.436 41.538 40.800 0.503 0.000 1.137 866 D HN 0.726 nan 8.370 nan 0.000 0.464 867 R N -1.764 119.033 120.500 0.496 0.000 3.484 867 R HA -0.238 4.102 4.340 -0.000 0.000 0.260 867 R C -0.668 175.917 176.300 0.475 0.000 1.053 867 R CA 0.962 57.363 56.100 0.502 0.000 0.703 867 R CB -2.545 28.041 30.300 0.476 0.000 1.089 867 R HN 0.354 nan 8.270 nan 0.000 0.459 868 T N -0.282 114.451 114.554 0.299 0.000 2.865 868 T HA 0.717 5.067 4.350 -0.000 0.000 0.294 868 T C -1.001 173.590 174.700 -0.182 0.000 1.119 868 T CA -0.865 61.304 62.100 0.116 0.000 1.007 868 T CB 1.401 70.309 68.868 0.066 0.000 1.225 868 T HN 0.270 nan 8.240 nan 0.000 0.515 869 L N 1.898 122.951 121.223 -0.282 0.000 2.346 869 L HA 0.553 4.893 4.340 -0.000 0.000 0.276 869 L C -0.615 175.988 176.870 -0.445 0.000 1.006 869 L CA -0.972 53.562 54.840 -0.510 0.000 0.817 869 L CB 1.758 43.543 42.059 -0.457 0.000 1.272 869 L HN 0.717 nan 8.230 nan 0.000 0.421 870 W N 2.775 123.710 121.300 -0.608 0.000 2.181 870 W HA 0.337 4.997 4.660 -0.000 0.000 0.335 870 W C 0.245 176.369 176.519 -0.658 0.000 1.310 870 W CA -0.504 56.429 57.345 -0.687 0.000 1.226 870 W CB 0.607 29.309 29.460 -1.264 0.000 1.155 870 W HN 0.287 nan 8.180 nan 0.000 0.565 871 R N 3.185 123.561 120.500 -0.207 0.000 2.628 871 R HA 0.570 4.910 4.340 -0.000 0.000 0.288 871 R C -1.047 175.132 176.300 -0.202 0.000 0.980 871 R CA -0.956 55.024 56.100 -0.199 0.000 0.891 871 R CB 1.873 32.037 30.300 -0.228 0.000 1.188 871 R HN 0.435 nan 8.270 nan 0.000 0.450 872 I N 4.196 124.774 120.570 0.014 0.000 2.542 872 I HA 0.264 4.434 4.170 -0.000 0.000 0.278 872 I C -2.297 174.039 176.117 0.364 0.000 1.069 872 I CA -2.080 59.279 61.300 0.100 0.000 1.100 872 I CB 2.065 40.098 38.000 0.055 0.000 1.204 872 I HN 0.282 nan 8.210 nan 0.000 0.470 873 P HA 0.057 nan 4.420 nan 0.000 0.275 873 P C -0.482 177.119 177.300 0.501 0.000 1.228 873 P CA -0.258 63.001 63.100 0.264 0.000 0.786 873 P CB 1.014 32.818 31.700 0.175 0.000 0.927 874 F N 2.425 122.363 119.950 -0.021 0.000 2.640 874 F HA 0.298 4.825 4.527 -0.000 0.000 0.354 874 F C 0.354 176.202 175.800 0.081 0.000 1.213 874 F CA -0.143 57.836 58.000 -0.035 0.000 1.314 874 F CB -0.595 38.129 39.000 -0.460 0.000 1.679 874 F HN 0.118 nan 8.300 nan 0.000 0.622 875 S N 0.648 116.460 115.700 0.187 0.000 2.538 875 S HA 0.311 4.781 4.470 -0.000 0.000 0.288 875 S C 0.969 175.524 174.600 -0.075 0.000 1.108 875 S CA -0.070 58.144 58.200 0.023 0.000 0.971 875 S CB 1.251 64.493 63.200 0.070 0.000 1.041 875 S HN 0.504 nan 8.310 nan 0.000 0.483 876 S N 3.464 119.085 115.700 -0.131 0.000 2.420 876 S HA -0.182 4.288 4.470 -0.000 0.000 0.237 876 S C 0.922 175.329 174.600 -0.322 0.000 1.023 876 S CA 1.794 59.874 58.200 -0.200 0.000 0.991 876 S CB -0.629 62.489 63.200 -0.136 0.000 0.792 876 S HN 0.869 nan 8.310 nan 0.000 0.488 877 N N -0.561 118.000 118.700 -0.231 0.000 2.197 877 N HA 0.245 4.985 4.740 -0.000 0.000 0.228 877 N C 0.267 175.805 175.510 0.046 0.000 1.212 877 N CA -0.379 52.583 53.050 -0.146 0.000 0.883 877 N CB -0.963 37.500 38.487 -0.040 0.000 1.107 877 N HN 0.427 nan 8.380 nan 0.000 0.519 878 F N -1.243 118.787 119.950 0.133 0.000 2.825 878 F HA -0.306 4.221 4.527 -0.000 0.000 0.358 878 F C 0.453 176.281 175.800 0.046 0.000 0.639 878 F CA 0.527 58.589 58.000 0.103 0.000 1.153 878 F CB -1.460 37.581 39.000 0.067 0.000 1.610 878 F HN 0.081 nan 8.300 nan 0.000 0.305 879 M N 0.082 119.802 119.600 0.201 0.000 2.283 879 M HA 0.303 4.783 4.480 -0.000 0.000 0.314 879 M C 0.605 176.944 176.300 0.066 0.000 1.153 879 M CA 0.007 55.381 55.300 0.122 0.000 1.084 879 M CB 0.930 33.611 32.600 0.137 0.000 1.468 879 M HN -0.089 nan 8.290 nan 0.000 0.474 880 S N 2.206 117.926 115.700 0.033 0.000 2.411 880 S HA 0.406 4.876 4.470 -0.000 0.000 0.294 880 S C 0.215 174.826 174.600 0.019 0.000 1.115 880 S CA -0.416 57.790 58.200 0.010 0.000 1.071 880 S CB 0.285 63.477 63.200 -0.013 0.000 0.967 880 S HN 0.651 nan 8.310 nan 0.000 0.488 881 M N 2.391 122.000 119.600 0.015 0.000 2.504 881 M HA 0.327 4.807 4.480 -0.000 0.000 0.370 881 M C 0.513 176.822 176.300 0.015 0.000 1.110 881 M CA -0.203 55.107 55.300 0.016 0.000 0.938 881 M CB 0.975 33.582 32.600 0.012 0.000 1.460 881 M HN 0.816 nan 8.290 nan 0.000 0.535 882 G N -0.172 108.636 108.800 0.015 0.000 2.307 882 G HA2 0.286 4.246 3.960 -0.000 0.000 0.348 882 G HA3 0.286 4.246 3.960 -0.000 0.000 0.348 882 G C 0.095 175.016 174.900 0.035 0.000 1.603 882 G CA -0.498 44.617 45.100 0.025 0.000 0.961 882 G HN 0.098 nan 8.290 nan 0.000 0.686 883 A N 0.446 123.301 122.820 0.058 0.000 1.892 883 A HA 0.108 4.428 4.320 -0.000 0.000 0.218 883 A C 1.645 179.363 177.584 0.223 0.000 1.188 883 A CA 2.163 54.250 52.037 0.084 0.000 0.631 883 A CB -0.304 18.793 19.000 0.162 0.000 0.822 883 A HN 1.794 nan 8.150 nan 0.000 0.447 884 L N 2.285 123.679 121.223 0.285 0.000 2.334 884 L HA 0.293 4.633 4.340 -0.000 0.000 0.286 884 L C 0.902 177.841 176.870 0.114 0.000 1.108 884 L CA 0.312 55.304 54.840 0.254 0.000 0.875 884 L CB -0.425 41.678 42.059 0.073 0.000 1.246 884 L HN 0.432 nan 8.230 nan 0.000 0.439 885 T N 0.021 114.633 114.554 0.096 0.000 2.795 885 T HA 0.049 4.399 4.350 -0.000 0.000 0.314 885 T C 1.108 175.816 174.700 0.014 0.000 1.069 885 T CA 0.185 62.305 62.100 0.034 0.000 1.071 885 T CB 0.506 69.382 68.868 0.013 0.000 0.988 885 T HN 0.692 nan 8.240 nan 0.000 0.543 886 D N 1.224 121.613 120.400 -0.019 0.000 2.117 886 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 886 D C 2.074 178.344 176.300 -0.049 0.000 0.982 886 D CA 1.110 55.094 54.000 -0.027 0.000 0.828 886 D CB -0.608 40.171 40.800 -0.035 0.000 0.967 886 D HN 0.567 nan 8.370 nan 0.000 0.464 887 L N 0.392 121.525 121.223 -0.151 0.000 2.141 887 L HA 0.065 4.405 4.340 -0.000 0.000 0.209 887 L C 2.674 179.408 176.870 -0.226 0.000 1.094 887 L CA 1.187 55.846 54.840 -0.302 0.000 0.763 887 L CB -0.681 40.827 42.059 -0.919 0.000 0.908 887 L HN 0.200 nan 8.230 nan 0.000 0.437 888 G N 0.004 108.780 108.800 -0.040 0.000 2.470 888 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 888 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 888 G C 1.243 176.204 174.900 0.102 0.000 1.121 888 G CA 0.413 45.575 45.100 0.103 0.000 0.766 888 G HN 0.594 nan 8.290 nan 0.000 0.553 889 Q N -0.328 119.516 119.800 0.074 0.000 2.179 889 Q HA 0.188 4.528 4.340 -0.000 0.000 0.213 889 Q C 0.181 176.247 176.000 0.110 0.000 0.833 889 Q CA -0.496 55.357 55.803 0.083 0.000 0.990 889 Q CB 0.146 28.910 28.738 0.044 0.000 1.132 889 Q HN 0.369 nan 8.270 nan 0.000 0.493 890 N N 2.183 120.986 118.700 0.172 0.000 2.497 890 N HA -0.016 4.724 4.740 -0.000 0.000 0.268 890 N C 1.318 176.949 175.510 0.202 0.000 1.171 890 N CA -0.237 52.934 53.050 0.201 0.000 0.948 890 N CB 0.714 39.395 38.487 0.323 0.000 1.069 890 N HN 0.225 nan 8.380 nan 0.000 0.460 891 L N 2.487 123.777 121.223 0.111 0.000 2.189 891 L HA -0.119 4.221 4.340 -0.000 0.000 0.214 891 L C 1.682 178.598 176.870 0.077 0.000 1.097 891 L CA 1.520 56.412 54.840 0.087 0.000 0.764 891 L CB -1.510 40.579 42.059 0.050 0.000 0.900 891 L HN 0.583 nan 8.230 nan 0.000 0.436 892 L N 0.374 121.613 121.223 0.027 0.000 2.042 892 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 892 L C 2.572 179.368 176.870 -0.123 0.000 1.076 892 L CA 1.884 56.665 54.840 -0.097 0.000 0.749 892 L CB -0.912 40.974 42.059 -0.288 0.000 0.893 892 L HN 0.158 nan 8.230 nan 0.000 0.432 893 Y N -0.437 119.874 120.300 0.018 0.000 2.153 893 Y HA 0.004 4.554 4.550 -0.000 0.000 0.289 893 Y C 2.593 178.585 175.900 0.153 0.000 1.127 893 Y CA 1.360 59.498 58.100 0.064 0.000 1.131 893 Y CB -1.070 37.469 38.460 0.131 0.000 0.995 893 Y HN 0.258 nan 8.280 nan 0.000 0.505 894 A N 0.253 123.244 122.820 0.285 0.000 1.898 894 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 894 A C 2.029 179.694 177.584 0.135 0.000 1.181 894 A CA 1.997 54.145 52.037 0.186 0.000 0.620 894 A CB -0.881 18.203 19.000 0.139 0.000 0.819 894 A HN 0.490 nan 8.150 nan 0.000 0.442 895 N N 0.210 118.981 118.700 0.119 0.000 2.120 895 N HA -0.082 4.658 4.740 -0.000 0.000 0.188 895 N C 0.495 176.057 175.510 0.086 0.000 1.024 895 N CA 1.469 54.569 53.050 0.084 0.000 0.852 895 N CB -0.138 38.387 38.487 0.065 0.000 1.003 895 N HN 0.509 nan 8.380 nan 0.000 0.424 896 S N -1.244 114.534 115.700 0.131 0.000 2.536 896 S HA 0.803 5.273 4.470 -0.000 0.000 0.287 896 S C -0.557 174.148 174.600 0.175 0.000 1.101 896 S CA -0.825 57.432 58.200 0.095 0.000 0.950 896 S CB 1.933 65.144 63.200 0.020 0.000 1.056 896 S HN 0.352 nan 8.310 nan 0.000 0.481 897 A N 1.902 124.765 122.820 0.073 0.000 2.445 897 A HA 0.608 4.928 4.320 -0.000 0.000 0.242 897 A C -0.368 177.250 177.584 0.057 0.000 1.075 897 A CA 0.077 52.194 52.037 0.134 0.000 0.777 897 A CB -0.301 18.726 19.000 0.044 0.000 1.013 897 A HN 0.940 nan 8.150 nan 0.000 0.493 898 H N -0.945 118.317 119.070 0.320 0.000 2.895 898 H HA 0.651 5.207 4.556 -0.000 0.000 0.373 898 H C -0.011 175.583 175.328 0.443 0.000 1.174 898 H CA 0.419 56.660 56.048 0.322 0.000 1.144 898 H CB 1.960 31.877 29.762 0.259 0.000 1.793 898 H HN 0.944 nan 8.280 nan 0.000 0.551 899 A N 1.701 124.761 122.820 0.401 0.000 2.312 899 A HA 0.639 4.959 4.320 -0.000 0.000 0.328 899 A C -1.287 176.439 177.584 0.237 0.000 1.158 899 A CA -0.521 51.702 52.037 0.310 0.000 0.821 899 A CB 0.689 19.792 19.000 0.172 0.000 1.170 899 A HN 0.495 nan 8.150 nan 0.000 0.490 900 L N 1.200 122.523 121.223 0.167 0.000 2.365 900 L HA 0.682 5.022 4.340 -0.000 0.000 0.273 900 L C -1.508 175.343 176.870 -0.033 0.000 1.000 900 L CA -0.196 54.582 54.840 -0.102 0.000 0.819 900 L CB 2.095 44.033 42.059 -0.202 0.000 1.284 900 L HN 0.628 nan 8.230 nan 0.000 0.418 901 D N 5.457 125.782 120.400 -0.125 0.000 2.646 901 D HA 0.528 5.168 4.640 -0.000 0.000 0.245 901 D C -0.926 175.287 176.300 -0.146 0.000 1.099 901 D CA -0.072 53.883 54.000 -0.075 0.000 0.849 901 D CB 2.395 43.166 40.800 -0.048 0.000 1.448 901 D HN 0.521 nan 8.370 nan 0.000 0.489 902 M N 0.800 120.327 119.600 -0.122 0.000 2.457 902 M HA 0.327 4.807 4.480 -0.000 0.000 0.300 902 M C -1.104 175.087 176.300 -0.182 0.000 1.141 902 M CA -0.456 54.702 55.300 -0.236 0.000 0.901 902 M CB 2.686 35.156 32.600 -0.217 0.000 1.687 902 M HN 0.092 nan 8.290 nan 0.000 0.449 903 T N 3.188 117.556 114.554 -0.310 0.000 2.906 903 T HA 0.560 4.910 4.350 -0.000 0.000 0.302 903 T C -1.160 173.362 174.700 -0.295 0.000 1.002 903 T CA -0.359 61.635 62.100 -0.176 0.000 0.988 903 T CB 0.428 69.221 68.868 -0.125 0.000 0.972 903 T HN 0.265 nan 8.240 nan 0.000 0.447 904 F N 1.965 121.822 119.950 -0.154 0.000 2.421 904 F HA 0.530 5.057 4.527 -0.000 0.000 0.337 904 F C 0.773 176.520 175.800 -0.088 0.000 1.105 904 F CA -1.096 56.827 58.000 -0.129 0.000 1.049 904 F CB 1.365 40.308 39.000 -0.095 0.000 1.139 904 F HN 0.454 nan 8.300 nan 0.000 0.479 905 E N 3.015 123.267 120.200 0.086 0.000 2.176 905 E HA 0.650 5.000 4.350 -0.000 0.000 0.267 905 E C -1.500 175.103 176.600 0.005 0.000 0.893 905 E CA -0.741 55.671 56.400 0.020 0.000 0.761 905 E CB 1.614 31.300 29.700 -0.022 0.000 1.133 905 E HN 0.532 nan 8.360 nan 0.000 0.409 906 V N 0.568 120.445 119.914 -0.061 0.000 3.141 906 V HA 0.545 4.665 4.120 -0.000 0.000 0.312 906 V C -0.646 175.376 176.094 -0.120 0.000 1.157 906 V CA -1.116 61.090 62.300 -0.158 0.000 1.041 906 V CB 1.872 33.500 31.823 -0.325 0.000 1.071 906 V HN 0.574 nan 8.190 nan 0.000 0.441 907 D N 3.138 123.454 120.400 -0.139 0.000 2.389 907 D HA 0.385 5.025 4.640 -0.000 0.000 0.247 907 D C -2.367 173.880 176.300 -0.088 0.000 1.128 907 D CA -0.878 53.069 54.000 -0.088 0.000 0.884 907 D CB 1.147 41.898 40.800 -0.083 0.000 1.194 907 D HN 0.654 nan 8.370 nan 0.000 0.441 908 P HA 0.179 nan 4.420 nan 0.000 0.275 908 P C -0.657 176.625 177.300 -0.029 0.000 1.227 908 P CA -0.261 62.815 63.100 -0.040 0.000 0.781 908 P CB 0.932 32.620 31.700 -0.019 0.000 0.906 909 M N 2.008 121.590 119.600 -0.029 0.000 2.395 909 M HA 0.170 4.650 4.480 -0.000 0.000 0.307 909 M C 0.148 176.448 176.300 0.001 0.000 1.091 909 M CA -0.607 54.686 55.300 -0.010 0.000 0.919 909 M CB 2.000 34.585 32.600 -0.024 0.000 1.662 909 M HN 0.249 nan 8.290 nan 0.000 0.440 910 D N 0.829 121.239 120.400 0.018 0.000 2.494 910 D HA 0.011 4.651 4.640 -0.000 0.000 0.249 910 D C -0.297 176.010 176.300 0.011 0.000 1.223 910 D CA 0.065 54.076 54.000 0.017 0.000 0.865 910 D CB -0.151 40.667 40.800 0.030 0.000 0.974 910 D HN 0.637 nan 8.370 nan 0.000 0.491 911 E N -1.843 118.360 120.200 0.004 0.000 2.390 911 E HA 0.398 4.748 4.350 -0.000 0.000 0.280 911 E C -3.258 173.336 176.600 -0.010 0.000 0.992 911 E CA -2.455 53.944 56.400 -0.001 0.000 0.790 911 E CB 0.942 30.645 29.700 0.006 0.000 1.248 911 E HN -0.224 nan 8.360 nan 0.000 0.447 912 P HA 0.063 nan 4.420 nan 0.000 0.263 912 P C -0.639 176.651 177.300 -0.018 0.000 1.195 912 P CA 0.472 63.561 63.100 -0.018 0.000 0.762 912 P CB 0.702 32.389 31.700 -0.022 0.000 0.799 913 T N 0.926 115.468 114.554 -0.020 0.000 2.773 913 T HA 0.805 5.155 4.350 -0.000 0.000 0.278 913 T C -0.791 173.906 174.700 -0.005 0.000 1.011 913 T CA -0.902 61.186 62.100 -0.019 0.000 1.014 913 T CB 0.884 69.727 68.868 -0.041 0.000 1.293 913 T HN 0.111 nan 8.240 nan 0.000 0.554 914 L N 0.644 121.875 121.223 0.014 0.000 2.455 914 L HA 0.572 4.912 4.340 -0.000 0.000 0.264 914 L C -1.387 175.542 176.870 0.097 0.000 0.968 914 L CA -1.215 53.653 54.840 0.047 0.000 0.827 914 L CB 2.282 44.360 42.059 0.033 0.000 1.317 914 L HN 0.602 nan 8.230 nan 0.000 0.407 915 L N 3.081 124.376 121.223 0.119 0.000 2.260 915 L HA 0.305 4.645 4.340 -0.000 0.000 0.289 915 L C -0.980 176.062 176.870 0.286 0.000 1.057 915 L CA 0.299 55.217 54.840 0.130 0.000 0.811 915 L CB 0.405 42.431 42.059 -0.056 0.000 1.184 915 L HN 0.492 nan 8.230 nan 0.000 0.429 916 Y N 5.880 126.273 120.300 0.156 0.000 2.434 916 Y HA 0.590 5.140 4.550 -0.000 0.000 0.341 916 Y C -0.974 175.024 175.900 0.163 0.000 0.965 916 Y CA -1.138 57.074 58.100 0.185 0.000 1.205 916 Y CB 1.038 39.624 38.460 0.210 0.000 1.121 916 Y HN 0.386 nan 8.280 nan 0.000 0.507 917 V N 7.498 127.644 119.914 0.386 0.000 2.417 917 V HA 0.268 4.388 4.120 -0.000 0.000 0.291 917 V C -0.337 175.796 176.094 0.064 0.000 1.024 917 V CA -0.879 61.490 62.300 0.115 0.000 0.861 917 V CB 1.532 33.422 31.823 0.111 0.000 0.985 917 V HN 0.625 nan 8.190 nan 0.000 0.436 918 L N 5.236 126.364 121.223 -0.158 0.000 2.265 918 L HA 0.512 4.852 4.340 -0.000 0.000 0.289 918 L C -0.678 176.102 176.870 -0.150 0.000 1.033 918 L CA 0.020 54.796 54.840 -0.107 0.000 0.814 918 L CB 0.935 42.855 42.059 -0.233 0.000 1.203 918 L HN 0.520 nan 8.230 nan 0.000 0.423 919 F N 2.046 121.984 119.950 -0.021 0.000 2.368 919 F HA 0.234 4.761 4.527 -0.000 0.000 0.362 919 F C 1.119 176.791 175.800 -0.214 0.000 1.137 919 F CA -0.559 57.385 58.000 -0.093 0.000 1.161 919 F CB 0.592 39.357 39.000 -0.392 0.000 1.265 919 F HN 0.434 nan 8.300 nan 0.000 0.530 920 E N 3.511 123.600 120.200 -0.185 0.000 2.351 920 E HA 0.310 4.660 4.350 -0.000 0.000 0.266 920 E C 0.009 176.428 176.600 -0.301 0.000 1.031 920 E CA -0.148 56.062 56.400 -0.317 0.000 0.911 920 E CB 0.898 30.336 29.700 -0.436 0.000 0.986 920 E HN 0.503 nan 8.360 nan 0.000 0.446 921 V N 0.166 119.929 119.914 -0.252 0.000 3.109 921 V HA 0.582 4.702 4.120 -0.000 0.000 0.311 921 V C -1.199 174.692 176.094 -0.338 0.000 1.389 921 V CA -1.080 61.137 62.300 -0.138 0.000 1.034 921 V CB 1.069 32.922 31.823 0.051 0.000 1.105 921 V HN 0.414 nan 8.190 nan 0.000 0.477 922 F N 1.001 120.939 119.950 -0.021 0.000 2.426 922 F HA 0.690 5.217 4.527 -0.000 0.000 0.348 922 F C -0.293 175.491 175.800 -0.027 0.000 1.124 922 F CA -0.142 57.833 58.000 -0.041 0.000 1.008 922 F CB 1.519 40.510 39.000 -0.014 0.000 1.139 922 F HN 0.583 nan 8.300 nan 0.000 0.452 923 D N 4.076 124.489 120.400 0.021 0.000 2.462 923 D HA 0.458 5.098 4.640 -0.000 0.000 0.249 923 D C -1.018 175.264 176.300 -0.030 0.000 1.117 923 D CA 0.021 54.007 54.000 -0.024 0.000 0.900 923 D CB 1.034 41.702 40.800 -0.221 0.000 1.039 923 D HN 0.152 nan 8.370 nan 0.000 0.516 924 V N 1.904 121.917 119.914 0.164 0.000 3.019 924 V HA 0.725 4.845 4.120 -0.000 0.000 0.317 924 V C -0.059 176.179 176.094 0.240 0.000 1.094 924 V CA -0.868 61.557 62.300 0.208 0.000 1.000 924 V CB 2.349 34.259 31.823 0.145 0.000 1.060 924 V HN 0.231 nan 8.190 nan 0.000 0.443 925 V N 1.794 121.814 119.914 0.176 0.000 2.851 925 V HA 0.541 4.661 4.120 -0.000 0.000 0.307 925 V C -0.579 175.507 176.094 -0.013 0.000 1.129 925 V CA -0.735 61.531 62.300 -0.056 0.000 0.932 925 V CB 2.071 33.730 31.823 -0.273 0.000 1.024 925 V HN 0.872 nan 8.190 nan 0.000 0.426 926 R N 2.588 123.056 120.500 -0.054 0.000 2.437 926 R HA 0.790 5.130 4.340 -0.000 0.000 0.310 926 R C -1.616 174.686 176.300 0.003 0.000 0.955 926 R CA -0.381 55.703 56.100 -0.027 0.000 0.851 926 R CB 1.922 32.205 30.300 -0.029 0.000 1.161 926 R HN 0.581 nan 8.270 nan 0.000 0.446 927 V N 4.543 124.485 119.914 0.047 0.000 2.435 927 V HA 0.306 4.426 4.120 -0.000 0.000 0.290 927 V C -0.128 176.050 176.094 0.139 0.000 1.030 927 V CA -0.622 61.734 62.300 0.093 0.000 0.881 927 V CB 1.292 33.194 31.823 0.131 0.000 0.983 927 V HN 0.722 nan 8.190 nan 0.000 0.445 928 H N 5.484 124.569 119.070 0.024 0.000 2.489 928 H HA 0.559 5.115 4.556 -0.000 0.000 0.343 928 H C -0.555 174.792 175.328 0.031 0.000 1.086 928 H CA -0.933 55.125 56.048 0.017 0.000 1.198 928 H CB 1.383 31.153 29.762 0.014 0.000 1.490 928 H HN 0.535 nan 8.280 nan 0.000 0.504 929 R N 5.671 125.985 120.500 -0.310 0.000 2.681 929 R HA 0.148 4.488 4.340 -0.000 0.000 0.277 929 R C -2.039 174.022 176.300 -0.399 0.000 1.563 929 R CA -1.540 54.414 56.100 -0.244 0.000 1.673 929 R CB 1.230 31.495 30.300 -0.059 0.000 1.258 929 R HN 0.575 nan 8.270 nan 0.000 0.650 930 P HA -0.157 nan 4.420 nan 0.000 0.216 930 P C -0.325 176.511 177.300 -0.773 0.000 1.150 930 P CA 1.538 64.217 63.100 -0.702 0.000 0.843 930 P CB 0.411 31.772 31.700 -0.565 0.000 0.787 931 H N -3.375 115.646 119.070 -0.081 0.000 2.977 931 H HA 0.421 4.977 4.556 -0.000 0.000 0.350 931 H C -0.040 175.277 175.328 -0.019 0.000 1.238 931 H CA -1.065 54.963 56.048 -0.034 0.000 1.124 931 H CB 0.957 30.706 29.762 -0.022 0.000 1.866 931 H HN -0.195 nan 8.280 nan 0.000 0.550 932 R N 0.752 121.325 120.500 0.123 0.000 2.504 932 R HA 0.147 4.487 4.340 -0.000 0.000 0.291 932 R C 0.490 176.789 176.300 -0.002 0.000 0.974 932 R CA 1.444 57.575 56.100 0.051 0.000 1.077 932 R CB -0.431 29.886 30.300 0.028 0.000 0.926 932 R HN 1.063 nan 8.270 nan 0.000 0.407 933 G N 2.473 111.225 108.800 -0.080 0.000 2.168 933 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.257 933 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.257 933 G C -0.343 174.509 174.900 -0.080 0.000 0.997 933 G CA 0.254 45.192 45.100 -0.270 0.000 0.708 933 G HN 0.511 nan 8.290 nan 0.000 0.520 934 V N 1.212 121.166 119.914 0.068 0.000 2.487 934 V HA 0.675 4.795 4.120 -0.000 0.000 0.298 934 V C 0.228 176.406 176.094 0.140 0.000 1.028 934 V CA -0.739 61.623 62.300 0.104 0.000 0.860 934 V CB 1.855 33.740 31.823 0.104 0.000 0.991 934 V HN 0.297 nan 8.190 nan 0.000 0.427 935 I N 4.400 125.066 120.570 0.160 0.000 2.439 935 I HA 0.518 4.688 4.170 -0.000 0.000 0.285 935 I C -0.415 175.778 176.117 0.126 0.000 1.021 935 I CA -0.437 60.945 61.300 0.138 0.000 1.091 935 I CB 1.986 40.078 38.000 0.152 0.000 1.242 935 I HN 0.601 nan 8.210 nan 0.000 0.439 936 E N 4.566 124.841 120.200 0.125 0.000 2.199 936 E HA 0.576 4.926 4.350 -0.000 0.000 0.269 936 E C -0.740 175.947 176.600 0.145 0.000 0.899 936 E CA -0.786 55.703 56.400 0.148 0.000 0.772 936 E CB 2.606 32.415 29.700 0.182 0.000 1.155 936 E HN 0.629 nan 8.360 nan 0.000 0.408 937 T N -1.779 112.859 114.554 0.139 0.000 2.893 937 T HA 0.557 4.907 4.350 -0.000 0.000 0.291 937 T C -0.551 174.212 174.700 0.106 0.000 1.028 937 T CA -0.802 61.353 62.100 0.091 0.000 0.995 937 T CB 1.365 70.277 68.868 0.072 0.000 1.051 937 T HN 0.143 nan 8.240 nan 0.000 0.470 938 V N 3.095 123.024 119.914 0.024 0.000 2.340 938 V HA 0.331 4.451 4.120 -0.000 0.000 0.277 938 V C -1.064 175.060 176.094 0.050 0.000 1.017 938 V CA -0.928 61.417 62.300 0.074 0.000 0.820 938 V CB -0.293 31.558 31.823 0.046 0.000 1.028 938 V HN 0.891 nan 8.190 nan 0.000 0.436 939 Y N 4.379 124.753 120.300 0.124 0.000 2.314 939 Y HA 0.607 5.157 4.550 -0.000 0.000 0.334 939 Y C 0.087 176.067 175.900 0.133 0.000 1.266 939 Y CA -0.226 57.969 58.100 0.158 0.000 1.391 939 Y CB 1.187 39.754 38.460 0.179 0.000 1.306 939 Y HN 0.520 nan 8.280 nan 0.000 0.558 940 L N 2.992 124.398 121.223 0.305 0.000 2.705 940 L HA 0.385 4.725 4.340 -0.000 0.000 0.260 940 L C -1.616 175.377 176.870 0.206 0.000 0.921 940 L CA -0.677 54.285 54.840 0.204 0.000 0.948 940 L CB 1.619 43.755 42.059 0.129 0.000 1.427 940 L HN 0.686 nan 8.230 nan 0.000 0.432 941 R N 3.320 123.930 120.500 0.184 0.000 2.412 941 R HA 0.708 5.048 4.340 -0.000 0.000 0.304 941 R C -1.343 175.063 176.300 0.176 0.000 1.066 941 R CA 0.128 56.339 56.100 0.186 0.000 0.923 941 R CB 1.128 31.539 30.300 0.184 0.000 1.156 941 R HN 0.818 nan 8.270 nan 0.000 0.513 942 T N 1.902 116.577 114.554 0.202 0.000 2.879 942 T HA 0.531 4.881 4.350 -0.000 0.000 0.290 942 T C -2.780 172.104 174.700 0.307 0.000 0.993 942 T CA -2.175 60.040 62.100 0.193 0.000 0.975 942 T CB 2.433 71.367 68.868 0.110 0.000 0.981 942 T HN 0.207 nan 8.240 nan 0.000 0.439 943 P HA 0.562 nan 4.420 nan 0.000 0.277 943 P C -0.717 176.832 177.300 0.414 0.000 1.276 943 P CA -0.410 62.849 63.100 0.265 0.000 0.788 943 P CB -0.045 31.824 31.700 0.281 0.000 1.114 944 F N -2.309 117.545 119.950 -0.160 0.000 2.160 944 F HA -0.144 4.383 4.527 -0.000 0.000 0.416 944 F C -0.201 175.569 175.800 -0.050 0.000 1.174 944 F CA 0.406 58.316 58.000 -0.150 0.000 1.373 944 F CB -2.577 36.334 39.000 -0.149 0.000 2.115 944 F HN 0.168 nan 8.300 nan 0.000 0.747 945 S N 0.701 116.434 115.700 0.054 0.000 2.541 945 S HA 0.999 5.469 4.470 -0.000 0.000 0.271 945 S C 0.057 174.678 174.600 0.036 0.000 1.133 945 S CA -0.454 57.789 58.200 0.072 0.000 0.876 945 S CB 2.008 65.250 63.200 0.070 0.000 1.105 945 S HN 2.323 nan 8.310 nan 0.000 0.470 946 A N 0.627 123.480 122.820 0.055 0.000 6.624 946 A HA 0.385 4.705 4.320 -0.000 0.000 0.226 946 A C 1.233 178.887 177.584 0.117 0.000 2.318 946 A CA 0.536 52.629 52.037 0.093 0.000 0.686 946 A CB -2.005 17.069 19.000 0.123 0.000 0.893 946 A HN 2.999 nan 8.150 nan 0.000 0.362 947 G N -0.261 108.645 108.800 0.176 0.000 2.720 947 G HA2 0.234 4.194 3.960 -0.000 0.000 0.293 947 G HA3 0.234 4.194 3.960 -0.000 0.000 0.293 947 G C 0.768 175.802 174.900 0.224 0.000 1.256 947 G CA 1.993 47.223 45.100 0.217 0.000 0.974 947 G HN 3.459 nan 8.290 nan 0.000 0.551 948 N N -0.967 117.825 118.700 0.153 0.000 4.613 948 N HA 0.566 5.306 4.740 -0.000 0.000 0.282 948 N C -0.480 175.096 175.510 0.110 0.000 0.993 948 N CA 2.147 55.278 53.050 0.135 0.000 0.994 948 N CB -0.696 37.901 38.487 0.184 0.000 1.539 948 N HN 2.726 nan 8.380 nan 0.000 0.623 949 A N 0.000 122.864 122.820 0.073 0.000 2.254 949 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 949 A CA 0.000 52.067 52.037 0.051 0.000 0.836 949 A CB 0.000 19.030 19.000 0.050 0.000 0.831 949 A HN 0.000 nan 8.150 nan 0.000 0.486