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_K DATA FIRST_RESID 3 DATA SEQUENCE PSMMPQWSYM HISGQDASEY LSPGLVQFAR ATETYFSLNN KFRNPTVAPT DATA SEQUENCE HDVTTDRSQR LTLRFIPVDR EDTAYSYKAR FTLAVGDNRV LDMASTYFDI DATA SEQUENCE RGVLDRGPTF KPYSGTAYNA LAPKGAPNPC EWDXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXTHVFGQAP YSGINITKEG IQIGVEGQTP KYADKTFQPE DATA SEQUENCE PQIGESQWYE TEINHAAGRV LKKTTPMKPC YGSYAKPTNE NGGQGILVKQ DATA SEQUENCE QNGKLESQVE MQFFSTTEAT AGNGDNLTPK VVLYSEDVDI ETPDTHISYM DATA SEQUENCE PTIKEGNSRE LMGQQSMPNR PNYIAFRDNF IGLMYYNSTG NMGVLAGQAS DATA SEQUENCE QLNAVVDLQD RNTELSYQLL LDSIGDRTRY FSMWNQAVDS YDPDVRIIEN DATA SEQUENCE HGTEDELPNY CFPLGGVINT ETLTKVKPKT GQENGWEKDA TEFSDKNEIR DATA SEQUENCE VGNNFAMEIN LNANLWRNFL YSNIALYLPD KLKYSPSNVK ISDNPNTYDY DATA SEQUENCE MNKRVVAPGL VDCYINLGAR WSLDYMDNVN PFNHHRNAGL RYRSMLLGNG DATA SEQUENCE RYVPFHIQVP QKFFAIKNLL LLPGSYTYEW NFRKDVNMVL QSSLGNDLRV DATA SEQUENCE DGASIKFDSI CLYATFFPMA HNTASTLEAM LRNDTNDQSF NDYLSAANML DATA SEQUENCE YPIPANATNV PISIPSRNWA AFRGWAFTRL KTKETPSLGS GYDPYYTYSG DATA SEQUENCE SIPYLDGTFY LNHTFKKVAI TFDSSVSWPG NDRLLTPNEF EIKRSVDGEG DATA SEQUENCE YNVAQCNMTK DWFLVQMLAN YNIGYQGFYI PESYKDRMYS FFRNFQPMSR DATA SEQUENCE QVVDDTKYKD YQQVGILHQH NNSGFVGYLA PTMREGQAYP ANFPYPLIGK DATA SEQUENCE TAVDSITQKK FLCDRTLWRI PFSSNFMSMG ALTDLGQNLL YANSAHALDM DATA SEQUENCE TFEVDPMDEP TLLYVLFEVF DVVRVHRPHR GVIETVYLRT PFSAGNAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 176.955 177.300 -0.575 0.000 1.155 3 P CA 0.000 62.797 63.100 -0.505 0.000 0.800 3 P CB 0.000 31.274 31.700 -0.709 0.000 0.726 4 S N 1.574 116.723 115.700 -0.917 0.000 2.560 4 S HA 0.361 4.831 4.470 -0.000 0.000 0.284 4 S C 1.003 175.416 174.600 -0.313 0.000 1.327 4 S CA -0.203 57.717 58.200 -0.467 0.000 1.055 4 S CB -0.638 62.420 63.200 -0.237 0.000 0.868 4 S HN 0.390 nan 8.310 nan 0.000 0.506 5 M N 4.062 123.575 119.600 -0.145 0.000 2.148 5 M HA -0.074 4.406 4.480 -0.000 0.000 0.443 5 M C -0.473 175.796 176.300 -0.052 0.000 1.197 5 M CA 0.968 56.220 55.300 -0.079 0.000 0.698 5 M CB -0.539 32.042 32.600 -0.033 0.000 1.885 5 M HN 0.568 nan 8.290 nan 0.000 0.540 6 M N 0.511 120.085 119.600 -0.042 0.000 3.202 6 M HA 0.056 4.536 4.480 -0.000 0.000 0.158 6 M C -2.916 173.378 176.300 -0.010 0.000 0.529 6 M CA -0.944 54.356 55.300 -0.001 0.000 1.040 6 M CB -1.549 31.081 32.600 0.050 0.000 1.008 6 M HN 0.624 nan 8.290 nan 0.000 0.586 7 P HA 0.485 nan 4.420 nan 0.000 0.292 7 P C 0.302 177.645 177.300 0.072 0.000 1.287 7 P CA -0.240 62.868 63.100 0.014 0.000 0.800 7 P CB 0.773 32.493 31.700 0.033 0.000 0.945 8 Q N 0.949 120.763 119.800 0.023 0.000 2.315 8 Q HA -0.211 4.129 4.340 -0.000 0.000 0.213 8 Q C 1.199 177.355 176.000 0.261 0.000 0.994 8 Q CA 1.888 57.753 55.803 0.103 0.000 0.906 8 Q CB -0.432 28.320 28.738 0.023 0.000 0.918 8 Q HN 0.604 nan 8.270 nan 0.000 0.427 9 W N -0.862 120.451 121.300 0.021 0.000 2.444 9 W HA 0.075 4.735 4.660 -0.000 0.000 0.308 9 W C 2.682 179.186 176.519 -0.024 0.000 1.183 9 W CA 1.012 58.362 57.345 0.008 0.000 1.340 9 W CB -1.389 28.080 29.460 0.015 0.000 1.138 9 W HN 0.168 nan 8.180 nan 0.000 0.510 10 S N -0.733 115.102 115.700 0.225 0.000 2.368 10 S HA -0.283 4.187 4.470 -0.000 0.000 0.225 10 S C 1.972 176.491 174.600 -0.135 0.000 1.030 10 S CA 1.633 59.870 58.200 0.061 0.000 0.999 10 S CB -0.858 62.390 63.200 0.080 0.000 0.844 10 S HN 0.237 nan 8.310 nan 0.000 0.459 11 Y N 1.313 121.511 120.300 -0.170 0.000 2.200 11 Y HA 0.097 4.647 4.550 -0.000 0.000 0.290 11 Y C 1.991 177.668 175.900 -0.372 0.000 1.137 11 Y CA 1.694 59.635 58.100 -0.265 0.000 1.163 11 Y CB -0.184 38.201 38.460 -0.124 0.000 0.988 11 Y HN 0.249 nan 8.280 nan 0.000 0.518 12 M N -0.231 119.263 119.600 -0.177 0.000 2.561 12 M HA 0.011 4.491 4.480 -0.000 0.000 0.238 12 M C -0.047 176.177 176.300 -0.127 0.000 1.131 12 M CA 0.742 55.938 55.300 -0.174 0.000 1.046 12 M CB -1.233 31.403 32.600 0.060 0.000 1.532 12 M HN 0.414 nan 8.290 nan 0.000 0.497 13 H N -0.993 117.994 119.070 -0.138 0.000 2.936 13 H HA -0.145 4.411 4.556 -0.000 0.000 0.276 13 H C 1.164 176.434 175.328 -0.096 0.000 1.216 13 H CA 0.544 56.502 56.048 -0.150 0.000 1.132 13 H CB -1.510 28.135 29.762 -0.196 0.000 1.303 13 H HN 0.297 nan 8.280 nan 0.000 0.370 14 I N -0.137 120.418 120.570 -0.026 0.000 2.546 14 I HA -0.069 4.101 4.170 -0.000 0.000 0.255 14 I C 1.601 177.530 176.117 -0.314 0.000 1.163 14 I CA 1.515 62.671 61.300 -0.240 0.000 1.457 14 I CB -0.344 37.378 38.000 -0.463 0.000 1.092 14 I HN 0.349 nan 8.210 nan 0.000 0.434 15 S N -1.183 114.455 115.700 -0.104 0.000 2.705 15 S HA 0.799 5.269 4.470 -0.000 0.000 0.280 15 S C -0.011 174.639 174.600 0.083 0.000 1.174 15 S CA 0.025 58.210 58.200 -0.026 0.000 0.823 15 S CB 2.296 65.536 63.200 0.067 0.000 1.162 15 S HN 0.545 nan 8.310 nan 0.000 0.487 16 G N 0.576 109.436 108.800 0.100 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 -1.044 173.940 174.900 0.141 0.000 1.217 16 G CA -0.266 44.908 45.100 0.124 0.000 1.002 16 G HN 0.975 nan 8.290 nan 0.000 0.574 17 Q N 0.353 120.270 119.800 0.196 0.000 2.249 17 Q HA 0.499 4.839 4.340 -0.000 0.000 0.226 17 Q C -0.513 175.647 176.000 0.267 0.000 0.983 17 Q CA -0.692 55.235 55.803 0.206 0.000 0.930 17 Q CB 0.857 29.727 28.738 0.220 0.000 1.193 17 Q HN 0.540 nan 8.270 nan 0.000 0.508 18 D N -0.343 120.141 120.400 0.141 0.000 2.354 18 D HA 0.147 4.787 4.640 -0.000 0.000 0.247 18 D C 0.604 176.823 176.300 -0.135 0.000 1.138 18 D CA 0.018 54.048 54.000 0.050 0.000 0.958 18 D CB 1.332 42.120 40.800 -0.019 0.000 1.144 18 D HN 0.675 nan 8.370 nan 0.000 0.458 19 A N 1.052 123.649 122.820 -0.372 0.000 1.948 19 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 19 A C 2.009 179.208 177.584 -0.641 0.000 1.177 19 A CA 2.408 53.888 52.037 -0.928 0.000 0.636 19 A CB -0.708 17.947 19.000 -0.575 0.000 0.815 19 A HN 0.569 nan 8.150 nan 0.000 0.449 20 S N -0.702 114.797 115.700 -0.336 0.000 2.500 20 S HA -0.127 4.343 4.470 -0.000 0.000 0.239 20 S C 1.399 175.892 174.600 -0.178 0.000 0.989 20 S CA 1.416 59.479 58.200 -0.229 0.000 0.951 20 S CB -0.219 62.898 63.200 -0.138 0.000 0.759 20 S HN 0.737 nan 8.310 nan 0.000 0.523 21 E N 0.105 120.208 120.200 -0.162 0.000 2.207 21 E HA 0.088 4.438 4.350 -0.000 0.000 0.197 21 E C 1.515 178.106 176.600 -0.016 0.000 0.914 21 E CA 0.493 56.859 56.400 -0.056 0.000 0.914 21 E CB -0.265 29.445 29.700 0.015 0.000 0.893 21 E HN 0.769 nan 8.360 nan 0.000 0.479 22 Y N 1.276 121.572 120.300 -0.006 0.000 2.578 22 Y HA 0.294 4.844 4.550 -0.000 0.000 0.297 22 Y C 0.070 175.966 175.900 -0.007 0.000 1.176 22 Y CA 0.050 58.176 58.100 0.044 0.000 1.315 22 Y CB -0.241 38.323 38.460 0.175 0.000 1.031 22 Y HN -0.192 nan 8.280 nan 0.000 0.524 23 L N 1.809 122.768 121.223 -0.439 0.000 2.322 23 L HA 0.343 4.683 4.340 -0.000 0.000 0.281 23 L C 0.351 177.078 176.870 -0.238 0.000 1.014 23 L CA -1.217 53.351 54.840 -0.454 0.000 0.815 23 L CB 1.618 43.191 42.059 -0.809 0.000 1.247 23 L HN 0.239 nan 8.230 nan 0.000 0.421 24 S N 2.286 117.897 115.700 -0.147 0.000 2.817 24 S HA -0.053 4.417 4.470 -0.000 0.000 0.333 24 S C -1.846 172.691 174.600 -0.105 0.000 1.227 24 S CA -0.722 57.425 58.200 -0.089 0.000 1.027 24 S CB 0.135 63.295 63.200 -0.066 0.000 0.732 24 S HN 0.479 nan 8.310 nan 0.000 0.499 25 P HA -0.044 nan 4.420 nan 0.000 0.214 25 P C 1.884 179.158 177.300 -0.043 0.000 1.163 25 P CA 1.765 64.832 63.100 -0.055 0.000 0.889 25 P CB -0.530 31.152 31.700 -0.030 0.000 0.790 26 G N -0.033 108.750 108.800 -0.027 0.000 2.446 26 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 26 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 26 G C 1.495 176.401 174.900 0.010 0.000 1.168 26 G CA 0.734 45.831 45.100 -0.004 0.000 0.771 26 G HN 0.214 nan 8.290 nan 0.000 0.551 27 L N 0.876 122.077 121.223 -0.037 0.000 2.046 27 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 27 L C 2.991 179.853 176.870 -0.013 0.000 1.077 27 L CA 1.443 56.260 54.840 -0.040 0.000 0.747 27 L CB -0.628 41.349 42.059 -0.137 0.000 0.896 27 L HN 0.104 nan 8.230 nan 0.000 0.432 28 V N -0.402 119.455 119.914 -0.095 0.000 2.287 28 V HA -0.367 3.753 4.120 -0.000 0.000 0.248 28 V C 2.585 178.661 176.094 -0.030 0.000 1.053 28 V CA 2.115 64.352 62.300 -0.105 0.000 1.027 28 V CB -0.790 30.948 31.823 -0.140 0.000 0.646 28 V HN 0.650 nan 8.190 nan 0.000 0.447 29 Q N -0.752 119.049 119.800 0.002 0.000 2.084 29 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 29 Q C 2.130 178.161 176.000 0.051 0.000 0.978 29 Q CA 2.198 58.012 55.803 0.018 0.000 0.844 29 Q CB -0.233 28.522 28.738 0.028 0.000 0.898 29 Q HN 0.662 nan 8.270 nan 0.000 0.426 30 F N 0.373 120.304 119.950 -0.032 0.000 2.186 30 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 30 F C 1.931 177.722 175.800 -0.016 0.000 1.090 30 F CA 1.365 59.361 58.000 -0.007 0.000 1.307 30 F CB -0.331 38.678 39.000 0.014 0.000 1.019 30 F HN 0.132 nan 8.300 nan 0.000 0.489 31 A N 0.455 123.332 122.820 0.096 0.000 1.969 31 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 31 A C 2.338 179.842 177.584 -0.132 0.000 1.169 31 A CA 1.469 53.502 52.037 -0.008 0.000 0.635 31 A CB -0.784 18.249 19.000 0.054 0.000 0.810 31 A HN 0.489 nan 8.150 nan 0.000 0.445 32 R N -0.574 119.858 120.500 -0.114 0.000 2.115 32 R HA 0.029 4.369 4.340 -0.000 0.000 0.226 32 R C 2.081 178.284 176.300 -0.161 0.000 1.100 32 R CA 1.195 57.224 56.100 -0.117 0.000 0.980 32 R CB -0.245 30.008 30.300 -0.079 0.000 0.875 32 R HN 0.419 nan 8.270 nan 0.000 0.445 33 A N -0.086 122.609 122.820 -0.208 0.000 2.021 33 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 33 A C 1.827 179.181 177.584 -0.383 0.000 1.163 33 A CA 1.261 53.165 52.037 -0.222 0.000 0.676 33 A CB -0.240 18.661 19.000 -0.164 0.000 0.818 33 A HN 0.513 nan 8.150 nan 0.000 0.453 34 T N -2.282 111.912 114.554 -0.600 0.000 3.129 34 T HA 0.088 4.438 4.350 -0.000 0.000 0.251 34 T C 0.969 175.275 174.700 -0.656 0.000 1.117 34 T CA 0.780 62.325 62.100 -0.924 0.000 1.034 34 T CB -0.009 68.298 68.868 -0.936 0.000 0.968 34 T HN 0.341 nan 8.240 nan 0.000 0.526 35 E N 2.421 122.388 120.200 -0.388 0.000 2.453 35 E HA -0.058 4.292 4.350 -0.000 0.000 0.207 35 E C 1.356 177.821 176.600 -0.226 0.000 1.212 35 E CA 0.908 57.162 56.400 -0.244 0.000 0.959 35 E CB -0.805 28.799 29.700 -0.161 0.000 0.957 35 E HN 0.821 nan 8.360 nan 0.000 0.540 36 T N -3.529 110.818 114.554 -0.346 0.000 3.330 36 T HA 0.028 4.378 4.350 -0.000 0.000 0.240 36 T C 1.662 176.314 174.700 -0.080 0.000 0.988 36 T CA 0.360 62.357 62.100 -0.172 0.000 1.253 36 T CB -0.726 68.115 68.868 -0.044 0.000 1.163 36 T HN 0.282 nan 8.240 nan 0.000 0.382 37 Y N 0.556 120.871 120.300 0.026 0.000 2.190 37 Y HA 0.601 5.151 4.550 -0.000 0.000 0.290 37 Y C 0.827 176.834 175.900 0.177 0.000 1.115 37 Y CA -0.918 57.233 58.100 0.085 0.000 1.107 37 Y CB -0.462 38.050 38.460 0.086 0.000 1.033 37 Y HN 0.162 nan 8.280 nan 0.000 0.502 38 F N 1.444 121.312 119.950 -0.136 0.000 2.420 38 F HA 0.541 5.068 4.527 -0.000 0.000 0.342 38 F C -0.168 175.558 175.800 -0.124 0.000 1.113 38 F CA -1.519 56.466 58.000 -0.025 0.000 1.059 38 F CB 1.633 40.719 39.000 0.144 0.000 1.128 38 F HN -0.088 nan 8.300 nan 0.000 0.475 39 S N 5.871 121.403 115.700 -0.280 0.000 2.530 39 S HA 0.511 4.981 4.470 -0.000 0.000 0.322 39 S C 0.276 174.772 174.600 -0.174 0.000 1.085 39 S CA -0.580 57.507 58.200 -0.188 0.000 1.096 39 S CB 0.476 63.577 63.200 -0.165 0.000 0.988 39 S HN 0.719 nan 8.310 nan 0.000 0.466 40 L N 4.426 125.651 121.223 0.003 0.000 2.693 40 L HA 0.252 4.592 4.340 -0.000 0.000 0.235 40 L C 1.750 178.727 176.870 0.177 0.000 1.127 40 L CA -0.169 54.746 54.840 0.125 0.000 0.914 40 L CB -0.168 42.106 42.059 0.359 0.000 1.193 40 L HN 0.512 nan 8.230 nan 0.000 0.502 41 N N 1.706 120.457 118.700 0.086 0.000 2.104 41 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 41 N C 1.458 177.007 175.510 0.065 0.000 1.024 41 N CA 1.704 54.809 53.050 0.092 0.000 0.853 41 N CB -0.477 38.016 38.487 0.010 0.000 1.008 41 N HN 0.496 nan 8.380 nan 0.000 0.424 42 N N 1.368 120.056 118.700 -0.020 0.000 2.571 42 N HA -0.086 4.654 4.740 -0.000 0.000 0.189 42 N C 0.509 175.945 175.510 -0.123 0.000 1.154 42 N CA 0.542 53.557 53.050 -0.058 0.000 0.907 42 N CB 0.037 38.479 38.487 -0.074 0.000 0.977 42 N HN 0.158 nan 8.380 nan 0.000 0.449 43 K N -0.204 120.064 120.400 -0.219 0.000 2.367 43 K HA 0.146 4.466 4.320 -0.000 0.000 0.194 43 K C -0.499 175.616 176.600 -0.808 0.000 1.027 43 K CA 0.101 56.053 56.287 -0.558 0.000 1.075 43 K CB 0.270 32.270 32.500 -0.834 0.000 0.845 43 K HN 0.173 nan 8.250 nan 0.000 0.529 44 F N 1.109 121.050 119.950 -0.016 0.000 2.536 44 F HA 0.355 4.882 4.527 0.000 0.000 0.322 44 F C 0.394 176.187 175.800 -0.012 0.000 1.144 44 F CA -1.435 56.568 58.000 0.004 0.000 0.924 44 F CB 1.271 40.239 39.000 -0.052 0.000 1.181 44 F HN -0.290 nan 8.300 nan 0.000 0.438 45 R N 2.445 123.039 120.500 0.157 0.000 2.590 45 R HA 0.260 4.600 4.340 -0.000 0.000 0.274 45 R C -0.951 175.394 176.300 0.075 0.000 1.061 45 R CA 0.070 56.219 56.100 0.082 0.000 1.081 45 R CB 0.121 30.464 30.300 0.071 0.000 0.984 45 R HN 0.593 nan 8.270 nan 0.000 0.448 46 N N 6.270 124.997 118.700 0.045 0.000 2.524 46 N HA 0.305 5.045 4.740 -0.000 0.000 0.261 46 N C -2.549 172.975 175.510 0.023 0.000 0.998 46 N CA -1.328 51.744 53.050 0.036 0.000 0.915 46 N CB 1.917 40.407 38.487 0.007 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 -0.545 176.743 177.300 -0.020 0.000 1.223 47 P CA -0.092 63.005 63.100 -0.006 0.000 0.784 47 P CB 0.771 32.473 31.700 0.004 0.000 0.923 48 T N -1.305 113.218 114.554 -0.052 0.000 2.879 48 T HA 0.542 4.892 4.350 -0.000 0.000 0.290 48 T C -0.525 174.131 174.700 -0.073 0.000 0.993 48 T CA -0.696 61.377 62.100 -0.045 0.000 0.975 48 T CB 0.851 69.696 68.868 -0.039 0.000 0.981 48 T HN 0.158 nan 8.240 nan 0.000 0.439 49 V N 2.107 121.990 119.914 -0.052 0.000 2.540 49 V HA 0.810 4.930 4.120 -0.000 0.000 0.302 49 V C 0.423 176.503 176.094 -0.024 0.000 1.035 49 V CA -1.130 61.135 62.300 -0.058 0.000 0.873 49 V CB 1.593 33.392 31.823 -0.041 0.000 0.992 49 V HN 1.275 nan 8.190 nan 0.000 0.428 50 A N 6.377 129.184 122.820 -0.021 0.000 2.327 50 A HA 0.826 5.146 4.320 -0.000 0.000 0.283 50 A C -1.713 175.878 177.584 0.013 0.000 1.127 50 A CA -1.243 50.793 52.037 -0.001 0.000 0.810 50 A CB -0.031 18.971 19.000 0.003 0.000 1.066 50 A HN 0.747 nan 8.150 nan 0.000 0.492 51 P HA 0.080 nan 4.420 nan 0.000 0.270 51 P C 0.236 177.545 177.300 0.016 0.000 1.221 51 P CA 0.526 63.611 63.100 -0.025 0.000 0.788 51 P CB 0.347 31.994 31.700 -0.089 0.000 0.904 52 T N -3.295 111.293 114.554 0.056 0.000 3.460 52 T HA 0.242 4.593 4.350 -0.000 0.000 0.304 52 T C 0.077 174.911 174.700 0.224 0.000 0.991 52 T CA -0.508 61.674 62.100 0.136 0.000 0.975 52 T CB -0.855 68.115 68.868 0.171 0.000 1.196 52 T HN 0.887 nan 8.240 nan 0.000 0.490 53 H N -1.558 117.540 119.070 0.046 0.000 3.093 53 H HA 0.307 4.863 4.556 -0.000 0.000 0.312 53 H C -1.639 173.720 175.328 0.051 0.000 1.213 53 H CA -0.534 55.540 56.048 0.043 0.000 1.366 53 H CB 0.129 29.914 29.762 0.037 0.000 1.998 53 H HN 0.018 nan 8.280 nan 0.000 0.522 54 D N 1.267 121.718 120.400 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 55.214 54.000 0.049 0.000 0.708 54 D CB -1.518 39.302 40.800 0.034 0.000 1.084 54 D HN 0.411 nan 8.370 nan 0.000 0.434 55 V N -1.922 118.034 119.914 0.069 0.000 3.837 55 V HA 0.126 4.246 4.120 -0.000 0.000 0.182 55 V C 0.912 177.132 176.094 0.209 0.000 1.356 55 V CA 1.059 63.444 62.300 0.141 0.000 1.260 55 V CB 0.872 32.757 31.823 0.103 0.000 1.287 55 V HN 0.131 nan 8.190 nan 0.000 0.572 56 T N 0.861 115.472 114.554 0.096 0.000 2.945 56 T HA 0.490 4.840 4.350 -0.000 0.000 0.286 56 T C -0.293 174.399 174.700 -0.014 0.000 1.025 56 T CA -0.007 62.103 62.100 0.018 0.000 1.039 56 T CB 1.977 70.814 68.868 -0.051 0.000 1.068 56 T HN 0.359 nan 8.240 nan 0.000 0.497 57 T N 0.452 114.964 114.554 -0.069 0.000 2.909 57 T HA 0.223 4.573 4.350 -0.000 0.000 0.286 57 T C 0.245 174.868 174.700 -0.129 0.000 1.002 57 T CA -0.667 61.332 62.100 -0.169 0.000 1.074 57 T CB 0.441 69.102 68.868 -0.345 0.000 0.984 57 T HN 0.443 nan 8.240 nan 0.000 0.495 58 D N 1.685 122.007 120.400 -0.130 0.000 2.327 58 D HA 0.095 4.735 4.640 -0.000 0.000 0.205 58 D C 1.123 177.380 176.300 -0.072 0.000 0.989 58 D CA 0.257 54.212 54.000 -0.074 0.000 0.873 58 D CB 0.090 40.863 40.800 -0.045 0.000 0.955 58 D HN 0.654 nan 8.370 nan 0.000 0.515 59 R N 1.055 121.489 120.500 -0.111 0.000 2.615 59 R HA 0.308 4.648 4.340 -0.000 0.000 0.270 59 R C 0.406 176.688 176.300 -0.031 0.000 1.081 59 R CA -0.490 55.577 56.100 -0.056 0.000 1.154 59 R CB 0.585 30.865 30.300 -0.033 0.000 1.063 59 R HN -0.110 nan 8.270 nan 0.000 0.519 60 S N 1.134 116.833 115.700 -0.001 0.000 2.549 60 S HA 0.021 4.491 4.470 -0.000 0.000 0.286 60 S C -0.342 174.267 174.600 0.016 0.000 1.314 60 S CA -0.160 58.041 58.200 0.003 0.000 1.062 60 S CB 0.449 63.652 63.200 0.005 0.000 0.865 60 S HN 0.701 nan 8.310 nan 0.000 0.498 61 Q N 2.129 121.931 119.800 0.003 0.000 2.443 61 Q HA 0.264 4.604 4.340 -0.000 0.000 0.258 61 Q C -1.391 174.602 176.000 -0.011 0.000 0.967 61 Q CA -0.556 55.248 55.803 0.002 0.000 0.951 61 Q CB 1.405 30.164 28.738 0.035 0.000 1.459 61 Q HN 0.882 nan 8.270 nan 0.000 0.415 62 R N 2.655 123.137 120.500 -0.030 0.000 2.441 62 R HA 0.272 4.612 4.340 -0.000 0.000 0.284 62 R C 0.840 177.156 176.300 0.026 0.000 1.070 62 R CA -0.060 56.032 56.100 -0.013 0.000 1.047 62 R CB 0.776 31.056 30.300 -0.034 0.000 1.016 62 R HN 0.608 nan 8.270 nan 0.000 0.477 63 L N 0.805 122.068 121.223 0.066 0.000 2.307 63 L HA 0.052 4.392 4.340 -0.000 0.000 0.211 63 L C 0.035 177.036 176.870 0.218 0.000 1.099 63 L CA 1.090 56.006 54.840 0.128 0.000 0.816 63 L CB 0.534 42.641 42.059 0.080 0.000 0.952 63 L HN 0.653 nan 8.230 nan 0.000 0.455 64 T N 0.484 115.142 114.554 0.173 0.000 3.109 64 T HA 0.484 4.834 4.350 -0.000 0.000 0.311 64 T C -0.784 173.978 174.700 0.102 0.000 1.011 64 T CA -0.394 61.832 62.100 0.211 0.000 1.026 64 T CB 1.766 70.761 68.868 0.211 0.000 1.047 64 T HN -0.147 nan 8.240 nan 0.000 0.448 65 L N 2.447 123.684 121.223 0.023 0.000 2.341 65 L HA 0.660 5.000 4.340 -0.000 0.000 0.278 65 L C 0.289 176.659 176.870 -0.832 0.000 1.005 65 L CA -1.020 53.611 54.840 -0.349 0.000 0.818 65 L CB 1.724 43.534 42.059 -0.414 0.000 1.259 65 L HN 0.378 nan 8.230 nan 0.000 0.418 66 R N 2.547 122.568 120.500 -0.797 0.000 2.221 66 R HA 0.560 4.900 4.340 -0.000 0.000 0.327 66 R C -1.407 174.399 176.300 -0.824 0.000 1.033 66 R CA -0.384 55.090 56.100 -1.045 0.000 0.887 66 R CB 0.560 30.326 30.300 -0.890 0.000 1.057 66 R HN 0.421 nan 8.270 nan 0.000 0.455 67 F N 4.702 124.500 119.950 -0.253 0.000 2.458 67 F HA 0.488 5.015 4.527 -0.000 0.000 0.330 67 F C 0.481 176.365 175.800 0.141 0.000 1.082 67 F CA -1.030 56.965 58.000 -0.009 0.000 0.995 67 F CB 0.916 39.957 39.000 0.068 0.000 1.170 67 F HN 0.139 nan 8.300 nan 0.000 0.478 68 I N 1.609 122.419 120.570 0.399 0.000 2.947 68 I HA 0.406 4.576 4.170 -0.000 0.000 0.314 68 I C -2.496 173.800 176.117 0.299 0.000 1.028 68 I CA -2.684 58.825 61.300 0.348 0.000 1.077 68 I CB 1.547 39.636 38.000 0.150 0.000 1.274 68 I HN 0.228 nan 8.210 nan 0.000 0.485 69 P HA 0.124 nan 4.420 nan 0.000 0.282 69 P C 0.667 177.840 177.300 -0.212 0.000 1.262 69 P CA 0.070 62.881 63.100 -0.481 0.000 0.773 69 P CB 1.187 32.626 31.700 -0.434 0.000 0.879 70 V N 2.297 122.095 119.914 -0.194 0.000 2.871 70 V HA -0.014 4.106 4.120 -0.000 0.000 0.256 70 V C 0.191 176.217 176.094 -0.113 0.000 1.082 70 V CA 1.637 63.886 62.300 -0.086 0.000 1.105 70 V CB -0.477 31.327 31.823 -0.032 0.000 0.713 70 V HN 0.572 nan 8.190 nan 0.000 0.473 71 D N -0.891 119.400 120.400 -0.181 0.000 2.886 71 D HA 0.444 5.084 4.640 -0.000 0.000 0.216 71 D C -0.776 175.384 176.300 -0.233 0.000 1.256 71 D CA -0.462 53.436 54.000 -0.169 0.000 0.844 71 D CB 1.361 42.080 40.800 -0.135 0.000 1.669 71 D HN 0.189 nan 8.370 nan 0.000 0.513 72 R N 2.201 122.568 120.500 -0.221 0.000 2.686 72 R HA 0.576 4.916 4.340 -0.000 0.000 0.283 72 R C -0.874 175.231 176.300 -0.324 0.000 0.978 72 R CA -0.872 55.044 56.100 -0.306 0.000 0.897 72 R CB 2.225 32.371 30.300 -0.256 0.000 1.192 72 R HN 0.339 nan 8.270 nan 0.000 0.457 73 E N 1.622 121.547 120.200 -0.458 0.000 2.580 73 E HA 0.062 4.412 4.350 -0.000 0.000 0.248 73 E C -1.620 174.707 176.600 -0.456 0.000 1.018 73 E CA -0.481 55.702 56.400 -0.361 0.000 0.775 73 E CB 1.498 31.045 29.700 -0.255 0.000 1.378 73 E HN 0.349 nan 8.360 nan 0.000 0.401 74 D N 2.202 122.373 120.400 -0.381 0.000 2.336 74 D HA 0.126 4.766 4.640 -0.000 0.000 0.249 74 D C -0.493 175.772 176.300 -0.058 0.000 1.213 74 D CA 0.473 54.392 54.000 -0.134 0.000 0.870 74 D CB 0.831 41.732 40.800 0.167 0.000 1.076 74 D HN 0.102 nan 8.370 nan 0.000 0.483 75 T N 1.989 116.509 114.554 -0.057 0.000 2.919 75 T HA 0.544 4.894 4.350 -0.000 0.000 0.282 75 T C 1.450 176.068 174.700 -0.137 0.000 1.020 75 T CA -0.066 61.952 62.100 -0.136 0.000 0.994 75 T CB 1.406 70.129 68.868 -0.243 0.000 1.180 75 T HN 0.335 nan 8.240 nan 0.000 0.566 76 A N 0.526 123.206 122.820 -0.234 0.000 1.896 76 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 76 A C 1.502 179.017 177.584 -0.115 0.000 1.206 76 A CA 2.479 54.403 52.037 -0.188 0.000 0.647 76 A CB -0.947 17.927 19.000 -0.209 0.000 0.828 76 A HN 0.957 nan 8.150 nan 0.000 0.455 77 Y N -2.114 118.187 120.300 0.001 0.000 2.563 77 Y HA 0.522 5.072 4.550 -0.000 0.000 0.250 77 Y C 0.296 176.338 175.900 0.236 0.000 1.126 77 Y CA -0.552 57.586 58.100 0.062 0.000 1.231 77 Y CB -0.545 37.880 38.460 -0.058 0.000 1.288 77 Y HN 0.360 nan 8.280 nan 0.000 0.537 78 S N -0.878 114.909 115.700 0.146 0.000 2.618 78 S HA 0.639 5.109 4.470 -0.000 0.000 0.277 78 S C -1.934 172.861 174.600 0.324 0.000 1.138 78 S CA -0.705 57.720 58.200 0.375 0.000 0.844 78 S CB 2.295 65.724 63.200 0.382 0.000 1.127 78 S HN 0.243 nan 8.310 nan 0.000 0.474 79 Y N 0.662 121.137 120.300 0.291 0.000 2.391 79 Y HA 0.679 5.229 4.550 -0.000 0.000 0.341 79 Y C -0.565 175.448 175.900 0.189 0.000 0.965 79 Y CA -0.524 57.706 58.100 0.215 0.000 1.067 79 Y CB 1.790 40.411 38.460 0.269 0.000 1.199 79 Y HN 0.961 nan 8.280 nan 0.000 0.450 80 K N 4.136 124.417 120.400 -0.197 0.000 2.345 80 K HA 0.889 5.209 4.320 -0.000 0.000 0.255 80 K C -1.823 174.644 176.600 -0.221 0.000 0.934 80 K CA -0.681 55.537 56.287 -0.115 0.000 0.801 80 K CB 1.242 33.642 32.500 -0.168 0.000 1.137 80 K HN 0.696 nan 8.250 nan 0.000 0.424 81 A N 4.283 127.064 122.820 -0.064 0.000 2.374 81 A HA 0.576 4.896 4.320 -0.000 0.000 0.305 81 A C -1.235 176.199 177.584 -0.249 0.000 1.053 81 A CA -0.805 51.106 52.037 -0.209 0.000 0.726 81 A CB 1.262 20.192 19.000 -0.116 0.000 1.229 81 A HN 0.802 nan 8.150 nan 0.000 0.431 82 R N 1.646 121.898 120.500 -0.414 0.000 2.562 82 R HA 0.738 5.078 4.340 -0.000 0.000 0.298 82 R C -1.734 174.314 176.300 -0.420 0.000 0.961 82 R CA -0.335 55.620 56.100 -0.241 0.000 0.881 82 R CB 0.982 31.209 30.300 -0.121 0.000 1.159 82 R HN 0.619 nan 8.270 nan 0.000 0.450 83 F N -0.044 119.977 119.950 0.119 0.000 2.593 83 F HA 0.383 4.910 4.527 -0.000 0.000 0.320 83 F C 0.208 176.086 175.800 0.131 0.000 1.060 83 F CA -0.836 57.246 58.000 0.136 0.000 0.940 83 F CB 2.470 41.575 39.000 0.176 0.000 1.268 83 F HN 0.244 nan 8.300 nan 0.000 0.475 84 T N 3.380 118.113 114.554 0.298 0.000 3.042 84 T HA 0.294 4.644 4.350 -0.000 0.000 0.356 84 T C -0.765 174.008 174.700 0.123 0.000 1.233 84 T CA -0.321 61.892 62.100 0.188 0.000 1.038 84 T CB 0.084 69.033 68.868 0.135 0.000 1.089 84 T HN 0.352 nan 8.240 nan 0.000 0.531 85 L N 4.414 125.693 121.223 0.093 0.000 2.385 85 L HA 0.603 4.943 4.340 -0.000 0.000 0.281 85 L C 0.095 177.002 176.870 0.062 0.000 1.106 85 L CA -0.336 54.435 54.840 -0.115 0.000 0.856 85 L CB -0.646 41.362 42.059 -0.084 0.000 1.186 85 L HN 0.581 nan 8.230 nan 0.000 0.453 86 A N 5.332 128.179 122.820 0.045 0.000 2.271 86 A HA 0.634 4.954 4.320 -0.000 0.000 0.317 86 A C -0.536 177.197 177.584 0.247 0.000 1.245 86 A CA -0.579 51.554 52.037 0.160 0.000 0.857 86 A CB 0.972 20.060 19.000 0.148 0.000 1.175 86 A HN 0.503 nan 8.150 nan 0.000 0.512 87 V N 4.094 124.173 119.914 0.275 0.000 2.218 87 V HA 0.335 4.455 4.120 -0.000 0.000 0.261 87 V C 1.332 177.527 176.094 0.167 0.000 1.142 87 V CA -0.035 62.462 62.300 0.328 0.000 0.965 87 V CB 0.011 32.068 31.823 0.390 0.000 1.190 87 V HN 1.148 nan 8.190 nan 0.000 0.478 88 G N 3.161 111.993 108.800 0.054 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 0.116 175.012 174.900 -0.007 0.000 1.241 88 G CA -0.215 44.877 45.100 -0.013 0.000 0.858 88 G HN 0.612 nan 8.290 nan 0.000 0.592 89 D N 0.353 120.730 120.400 -0.039 0.000 2.352 89 D HA -0.053 4.587 4.640 -0.000 0.000 0.238 89 D C 0.811 177.041 176.300 -0.116 0.000 1.286 89 D CA 0.238 54.206 54.000 -0.053 0.000 0.923 89 D CB 0.232 40.994 40.800 -0.064 0.000 1.146 89 D HN 0.501 nan 8.370 nan 0.000 0.471 90 N N 0.196 118.830 118.700 -0.110 0.000 2.666 90 N HA -0.240 4.500 4.740 -0.000 0.000 0.248 90 N C -0.467 175.018 175.510 -0.041 0.000 1.118 90 N CA 1.116 54.077 53.050 -0.148 0.000 0.722 90 N CB -0.585 37.593 38.487 -0.514 0.000 1.050 90 N HN 0.431 nan 8.380 nan 0.000 0.550 91 R N -0.699 119.828 120.500 0.044 0.000 2.808 91 R HA 0.726 5.066 4.340 -0.000 0.000 0.272 91 R C -0.385 176.044 176.300 0.215 0.000 0.995 91 R CA -0.916 55.281 56.100 0.161 0.000 0.917 91 R CB 2.346 32.723 30.300 0.129 0.000 1.217 91 R HN -0.002 nan 8.270 nan 0.000 0.471 92 V N -0.591 119.493 119.914 0.283 0.000 2.925 92 V HA 0.718 4.838 4.120 -0.000 0.000 0.311 92 V C -1.435 174.772 176.094 0.189 0.000 1.104 92 V CA -1.058 61.360 62.300 0.197 0.000 0.954 92 V CB 2.000 33.892 31.823 0.115 0.000 1.022 92 V HN 0.580 nan 8.190 nan 0.000 0.427 93 L N 2.385 123.622 121.223 0.024 0.000 2.381 93 L HA 0.687 5.027 4.340 -0.000 0.000 0.274 93 L C -0.699 176.063 176.870 -0.179 0.000 0.988 93 L CA 0.051 54.760 54.840 -0.218 0.000 0.824 93 L CB 1.645 43.469 42.059 -0.392 0.000 1.263 93 L HN 0.940 nan 8.230 nan 0.000 0.410 94 D N 5.318 125.619 120.400 -0.165 0.000 2.347 94 D HA 0.117 4.757 4.640 -0.000 0.000 0.235 94 D C 1.158 177.361 176.300 -0.161 0.000 1.149 94 D CA -0.353 53.579 54.000 -0.114 0.000 0.850 94 D CB 1.153 41.923 40.800 -0.049 0.000 1.061 94 D HN 0.576 nan 8.370 nan 0.000 0.487 95 M N 2.910 122.395 119.600 -0.192 0.000 2.260 95 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 95 M C 1.888 178.090 176.300 -0.164 0.000 1.066 95 M CA 0.787 55.948 55.300 -0.231 0.000 1.082 95 M CB -1.180 31.252 32.600 -0.279 0.000 1.388 95 M HN 0.511 nan 8.290 nan 0.000 0.419 96 A N -0.116 122.641 122.820 -0.104 0.000 2.178 96 A HA -0.066 4.254 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 1.700 53.712 52.037 -0.041 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 0.617 175.265 174.600 0.080 0.000 0.955 97 S CA 0.309 58.569 58.200 0.101 0.000 0.933 97 S CB -0.878 62.356 63.200 0.057 0.000 0.788 97 S HN 0.598 nan 8.310 nan 0.000 0.488 98 T N -0.149 114.399 114.554 -0.010 0.000 2.945 98 T HA 0.751 5.101 4.350 -0.000 0.000 0.286 98 T C -0.746 173.941 174.700 -0.022 0.000 1.025 98 T CA -0.760 61.265 62.100 -0.125 0.000 1.039 98 T CB 1.199 69.927 68.868 -0.235 0.000 1.068 98 T HN 0.695 nan 8.240 nan 0.000 0.497 99 Y N -1.615 118.615 120.300 -0.116 0.000 2.662 99 Y HA 0.631 5.181 4.550 -0.000 0.000 0.334 99 Y C -2.068 173.718 175.900 -0.190 0.000 1.185 99 Y CA -2.601 55.408 58.100 -0.152 0.000 1.074 99 Y CB 0.468 39.054 38.460 0.210 0.000 1.330 99 Y HN 0.646 nan 8.280 nan 0.000 0.458 100 F N 1.782 121.920 119.950 0.314 0.000 2.411 100 F HA 0.341 4.868 4.527 -0.000 0.000 0.355 100 F C 0.069 176.038 175.800 0.282 0.000 1.117 100 F CA -0.243 57.868 58.000 0.184 0.000 1.139 100 F CB 1.110 40.184 39.000 0.125 0.000 1.120 100 F HN 0.593 nan 8.300 nan 0.000 0.493 101 D N 4.803 125.501 120.400 0.496 0.000 2.317 101 D HA 0.474 5.114 4.640 -0.000 0.000 0.234 101 D C -0.763 175.692 176.300 0.257 0.000 1.112 101 D CA -0.059 54.203 54.000 0.438 0.000 0.840 101 D CB 0.701 41.864 40.800 0.604 0.000 1.078 101 D HN 0.309 nan 8.370 nan 0.000 0.486 102 I N 3.752 124.420 120.570 0.164 0.000 2.465 102 I HA 0.474 4.644 4.170 -0.000 0.000 0.291 102 I C -0.002 176.153 176.117 0.062 0.000 1.014 102 I CA -0.920 60.395 61.300 0.025 0.000 1.093 102 I CB 1.824 39.743 38.000 -0.135 0.000 1.267 102 I HN 0.175 nan 8.210 nan 0.000 0.431 103 R N 3.925 124.355 120.500 -0.117 0.000 2.561 103 R HA 0.830 5.170 4.340 -0.000 0.000 0.297 103 R C -0.325 175.704 176.300 -0.452 0.000 0.969 103 R CA -0.746 55.166 56.100 -0.314 0.000 0.879 103 R CB 2.429 32.536 30.300 -0.322 0.000 1.178 103 R HN 0.881 nan 8.270 nan 0.000 0.445 104 G N 0.707 108.918 108.800 -0.981 0.000 2.634 104 G HA2 0.486 4.446 3.960 -0.000 0.000 0.309 104 G HA3 0.486 4.446 3.960 -0.000 0.000 0.309 104 G C -1.703 172.697 174.900 -0.833 0.000 1.299 104 G CA -0.422 44.203 45.100 -0.791 0.000 0.798 104 G HN 0.290 nan 8.290 nan 0.000 0.490 105 V N 0.201 119.946 119.914 -0.283 0.000 2.604 105 V HA 0.754 4.874 4.120 -0.000 0.000 0.305 105 V C -0.860 175.384 176.094 0.251 0.000 1.043 105 V CA -0.683 61.608 62.300 -0.016 0.000 0.888 105 V CB 1.568 33.378 31.823 -0.021 0.000 0.995 105 V HN 0.859 nan 8.190 nan 0.000 0.429 106 L N 3.210 124.614 121.223 0.301 0.000 2.386 106 L HA 0.807 5.147 4.340 -0.000 0.000 0.271 106 L C -1.212 175.699 176.870 0.068 0.000 0.993 106 L CA 0.024 54.973 54.840 0.181 0.000 0.819 106 L CB 2.090 44.228 42.059 0.132 0.000 1.294 106 L HN 0.701 nan 8.230 nan 0.000 0.414 107 D N 2.963 123.362 120.400 -0.002 0.000 2.462 107 D HA 0.337 4.977 4.640 -0.000 0.000 0.245 107 D C 0.448 176.651 176.300 -0.161 0.000 1.122 107 D CA -0.366 53.615 54.000 -0.030 0.000 0.864 107 D CB 1.462 42.313 40.800 0.085 0.000 1.098 107 D HN 0.611 nan 8.370 nan 0.000 0.541 108 R N 1.943 122.267 120.500 -0.292 0.000 2.316 108 R HA 0.302 4.642 4.340 -0.000 0.000 0.202 108 R C 1.326 177.498 176.300 -0.213 0.000 1.029 108 R CA 0.622 56.518 56.100 -0.340 0.000 1.018 108 R CB -0.126 29.778 30.300 -0.660 0.000 0.888 108 R HN 0.657 nan 8.270 nan 0.000 0.471 109 G N 0.402 109.089 108.800 -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 -2.053 172.763 174.900 -0.140 0.000 1.370 109 G CA -0.400 44.620 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 1.505 178.656 177.300 -0.248 0.000 1.191 110 P CA 1.966 64.983 63.100 -0.140 0.000 0.771 110 P CB 0.006 31.655 31.700 -0.084 0.000 0.929 111 T N -4.572 109.791 114.554 -0.319 0.000 3.129 111 T HA 0.062 4.412 4.350 -0.000 0.000 0.251 111 T C 0.308 174.630 174.700 -0.629 0.000 1.117 111 T CA -0.524 61.150 62.100 -0.710 0.000 1.034 111 T CB -0.966 67.524 68.868 -0.631 0.000 0.968 111 T HN -0.135 nan 8.240 nan 0.000 0.526 112 F N 2.801 122.473 119.950 -0.463 0.000 2.472 112 F HA 0.508 5.035 4.527 -0.000 0.000 0.364 112 F C 0.241 175.799 175.800 -0.404 0.000 1.090 112 F CA -1.275 56.499 58.000 -0.376 0.000 1.188 112 F CB 0.520 39.353 39.000 -0.277 0.000 1.105 112 F HN 0.023 nan 8.300 nan 0.000 0.536 113 K N 9.201 128.984 120.400 -1.028 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 53.925 56.287 -1.106 0.000 1.045 113 K CB 1.348 33.369 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 -1.424 175.660 177.300 -0.361 0.000 1.601 114 P CA 0.201 62.775 63.100 -0.876 0.000 0.831 114 P CB -0.702 30.795 31.700 -0.338 0.000 1.688 115 Y N -5.022 114.974 120.300 -0.507 0.000 2.717 115 Y HA 0.497 5.047 4.550 -0.000 0.000 0.345 115 Y C -1.183 174.601 175.900 -0.193 0.000 1.187 115 Y CA -1.340 56.634 58.100 -0.210 0.000 1.128 115 Y CB -0.211 38.169 38.460 -0.134 0.000 1.360 115 Y HN -0.320 nan 8.280 nan 0.000 0.467 116 S N 1.224 116.999 115.700 0.125 0.000 2.617 116 S HA 0.808 5.278 4.470 -0.000 0.000 0.283 116 S C 0.416 175.120 174.600 0.175 0.000 1.189 116 S CA 0.114 58.337 58.200 0.039 0.000 1.036 116 S CB 1.008 64.219 63.200 0.019 0.000 1.014 116 S HN 1.872 nan 8.310 nan 0.000 0.522 117 G N 1.120 109.994 108.800 0.123 0.000 2.568 117 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.222 117 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.222 117 G C -0.269 174.731 174.900 0.167 0.000 1.321 117 G CA -0.129 45.071 45.100 0.167 0.000 0.893 117 G HN 0.966 nan 8.290 nan 0.000 0.569 118 T N -1.393 113.189 114.554 0.047 0.000 2.916 118 T HA 0.759 5.109 4.350 -0.000 0.000 0.292 118 T C 1.085 175.634 174.700 -0.253 0.000 1.055 118 T CA 0.754 62.803 62.100 -0.086 0.000 1.009 118 T CB 1.533 70.181 68.868 -0.365 0.000 1.118 118 T HN 2.065 nan 8.240 nan 0.000 0.497 119 A N 2.107 124.638 122.820 -0.482 0.000 2.238 119 A HA 0.381 4.701 4.320 -0.000 0.000 0.210 119 A C -0.417 176.647 177.584 -0.866 0.000 1.179 119 A CA 0.231 51.789 52.037 -0.798 0.000 0.827 119 A CB -0.187 18.153 19.000 -1.100 0.000 0.856 119 A HN 0.751 nan 8.150 nan 0.000 0.488 120 Y N 0.068 120.283 120.300 -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 0.821 39.267 38.460 -0.022 0.000 1.148 120 Y HN 0.248 nan 8.280 nan 0.000 0.463 121 N N 1.091 119.836 118.700 0.075 0.000 2.725 121 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 121 N C 0.859 176.406 175.510 0.063 0.000 1.031 121 N CA 0.773 53.868 53.050 0.075 0.000 0.720 121 N CB -0.741 37.814 38.487 0.113 0.000 0.930 121 N HN 0.926 nan 8.380 nan 0.000 0.543 122 A N -0.236 122.594 122.820 0.016 0.000 2.019 122 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 122 A C 2.161 179.909 177.584 0.273 0.000 1.164 122 A CA 0.950 53.062 52.037 0.124 0.000 0.644 122 A CB -0.075 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 -0.748 120.577 121.223 0.170 0.000 2.554 123 L HA 0.146 4.486 4.340 -0.000 0.000 0.226 123 L C 1.343 178.301 176.870 0.147 0.000 1.137 123 L CA -0.021 54.903 54.840 0.140 0.000 0.863 123 L CB -0.411 41.704 42.059 0.094 0.000 0.985 123 L HN 0.367 nan 8.230 nan 0.000 0.451 124 A N 0.797 123.738 122.820 0.201 0.000 2.401 124 A HA 0.398 4.718 4.320 -0.000 0.000 0.259 124 A C -2.169 175.496 177.584 0.135 0.000 1.103 124 A CA -1.152 50.989 52.037 0.173 0.000 0.789 124 A CB -0.349 18.770 19.000 0.200 0.000 1.035 124 A HN -0.052 nan 8.150 nan 0.000 0.491 125 P HA 0.010 nan 4.420 nan 0.000 0.262 125 P C 0.289 177.567 177.300 -0.036 0.000 1.182 125 P CA 0.262 63.363 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 1.987 122.281 120.400 -0.176 0.000 2.589 126 K HA -0.070 4.250 4.320 -0.000 0.000 0.195 126 K C 1.624 178.168 176.600 -0.094 0.000 1.040 126 K CA 1.254 57.384 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 0.210 108.984 108.800 -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 0.133 175.045 174.900 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 2.092 124.940 122.820 0.047 0.000 2.520 128 A HA 0.570 4.890 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 -0.662 51.427 52.037 0.088 0.000 0.761 128 A CB 0.370 19.433 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 -0.876 62.298 63.100 0.124 0.000 0.834 129 P CB 0.988 32.735 31.700 0.079 0.000 1.150 130 N N 0.593 119.380 118.700 0.145 0.000 2.513 130 N HA 0.247 4.987 4.740 -0.000 0.000 0.274 130 N C -2.222 173.392 175.510 0.173 0.000 1.189 130 N CA -1.363 51.767 53.050 0.134 0.000 0.975 130 N CB -0.581 37.964 38.487 0.097 0.000 1.157 130 N HN 0.241 nan 8.380 nan 0.000 0.465 131 P HA 0.001 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 0.080 63.253 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 1.836 121.298 119.300 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 0.666 5.016 4.350 -0.000 0.000 0.275 133 E C -1.672 175.183 176.600 0.425 0.000 0.918 133 E CA -0.217 56.357 56.400 0.289 0.000 0.764 133 E CB 2.403 32.169 29.700 0.109 0.000 1.252 133 E HN 0.901 nan 8.360 nan 0.000 0.449 134 W N 0.391 121.757 121.300 0.108 0.000 2.923 134 W HA 0.583 5.243 4.660 -0.000 0.000 0.373 134 W C -1.568 175.030 176.519 0.130 0.000 1.205 134 W CA -0.595 56.801 57.345 0.085 0.000 1.180 134 W CB 0.464 29.949 29.460 0.041 0.000 1.477 134 W HN 0.189 nan 8.180 nan 0.000 0.581 166 H N 0.198 118.843 119.070 -0.708 0.000 2.573 166 H HA 0.842 5.398 4.556 -0.000 0.000 0.351 166 H C -0.411 174.439 175.328 -0.797 0.000 1.163 166 H CA -0.740 54.800 56.048 -0.847 0.000 1.205 166 H CB 1.449 30.429 29.762 -1.304 0.000 1.605 166 H HN 0.386 nan 8.280 nan 0.000 0.525 167 V N 2.347 122.067 119.914 -0.323 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 0.091 0.000 1.051 167 V CA -0.794 61.434 62.300 -0.121 0.000 0.893 167 V CB 1.752 33.465 31.823 -0.184 0.000 0.999 167 V HN 0.638 nan 8.190 nan 0.000 0.426 168 F N 3.660 123.677 119.950 0.112 0.000 2.577 168 F HA 0.850 5.377 4.527 -0.000 0.000 0.344 168 F C 0.202 176.053 175.800 0.086 0.000 1.145 168 F CA -0.104 57.992 58.000 0.160 0.000 0.996 168 F CB 1.315 40.513 39.000 0.330 0.000 1.248 168 F HN 0.645 nan 8.300 nan 0.000 0.447 169 G N 4.077 112.626 108.800 -0.417 0.000 2.911 169 G HA2 0.525 4.485 3.960 -0.000 0.000 0.299 169 G HA3 0.525 4.485 3.960 -0.000 0.000 0.299 169 G C -2.109 172.578 174.900 -0.354 0.000 1.283 169 G CA -0.769 44.140 45.100 -0.318 0.000 0.805 169 G HN 0.633 nan 8.290 nan 0.000 0.548 170 Q N -1.161 118.525 119.800 -0.189 0.000 2.309 170 Q HA 0.610 4.950 4.340 -0.000 0.000 0.273 170 Q C -1.721 174.247 176.000 -0.053 0.000 1.040 170 Q CA -0.937 54.787 55.803 -0.132 0.000 0.834 170 Q CB 2.143 30.816 28.738 -0.108 0.000 1.345 170 Q HN 1.071 nan 8.270 nan 0.000 0.414 171 A N 4.693 127.496 122.820 -0.030 0.000 2.431 171 A HA 0.510 4.830 4.320 -0.000 0.000 0.318 171 A C -2.250 175.356 177.584 0.037 0.000 1.330 171 A CA -1.210 50.842 52.037 0.026 0.000 0.804 171 A CB 0.760 19.783 19.000 0.038 0.000 1.135 171 A HN 0.732 nan 8.150 nan 0.000 0.483 172 P HA 0.003 nan 4.420 nan 0.000 0.238 172 P C 0.017 177.368 177.300 0.084 0.000 1.183 172 P CA 0.455 63.590 63.100 0.058 0.000 0.813 172 P CB 0.116 31.852 31.700 0.059 0.000 0.944 173 Y N 1.543 121.846 120.300 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 0.021 0.000 1.094 173 Y CA -0.401 57.701 58.100 0.003 0.000 1.253 173 Y CB 0.724 39.177 38.460 -0.012 0.000 1.203 173 Y HN -0.212 nan 8.280 nan 0.000 0.508 174 S N 5.104 120.399 115.700 -0.675 0.000 2.420 174 S HA 0.674 5.144 4.470 -0.000 0.000 0.313 174 S C 0.021 174.256 174.600 -0.608 0.000 1.079 174 S CA -0.218 57.722 58.200 -0.433 0.000 1.104 174 S CB -0.312 62.728 63.200 -0.267 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 0.822 175.696 174.900 -0.044 0.000 1.240 175 G CA -0.811 44.265 45.100 -0.040 0.000 1.002 175 G HN 0.697 nan 8.290 nan 0.000 0.493 176 I N -0.546 119.978 120.570 -0.076 0.000 2.193 176 I HA 0.009 4.179 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 1.065 62.262 61.300 -0.170 0.000 1.365 176 I CB 0.063 37.977 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 -0.355 0.000 2.825 177 N HA 0.484 5.224 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 1.675 39.974 38.487 -0.313 0.000 1.470 177 N HN -0.058 nan 8.380 nan 0.000 0.517 178 I N 1.249 121.953 120.570 0.223 0.000 2.447 178 I HA 0.422 4.592 4.170 -0.000 0.000 0.287 178 I C -0.163 176.123 176.117 0.283 0.000 1.023 178 I CA -0.514 60.985 61.300 0.332 0.000 1.083 178 I CB 1.823 40.059 38.000 0.394 0.000 1.245 178 I HN 0.713 nan 8.210 nan 0.000 0.434 179 T N 1.101 115.847 114.554 0.319 0.000 2.742 179 T HA 0.360 4.710 4.350 -0.000 0.000 0.282 179 T C 0.627 175.400 174.700 0.123 0.000 1.025 179 T CA -0.727 61.477 62.100 0.174 0.000 1.020 179 T CB 1.748 70.731 68.868 0.192 0.000 1.317 179 T HN 0.384 nan 8.240 nan 0.000 0.538 180 K N 0.381 120.741 120.400 -0.067 0.000 2.442 180 K HA 0.003 4.323 4.320 -0.000 0.000 0.198 180 K C 1.675 178.296 176.600 0.035 0.000 1.044 180 K CA 1.235 57.458 56.287 -0.107 0.000 0.948 180 K CB -0.379 32.018 32.500 -0.172 0.000 0.762 180 K HN 0.563 nan 8.250 nan 0.000 0.472 181 E N -0.286 119.837 120.200 -0.129 0.000 2.435 181 E HA 0.101 4.451 4.350 -0.000 0.000 0.195 181 E C 0.887 177.347 176.600 -0.234 0.000 1.029 181 E CA 0.764 56.892 56.400 -0.454 0.000 0.865 181 E CB 0.230 29.065 29.700 -1.443 0.000 0.833 181 E HN 0.425 nan 8.360 nan 0.000 0.510 182 G N 1.678 110.554 108.800 0.127 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 -0.285 174.877 174.900 0.436 0.000 1.237 182 G CA -0.423 44.814 45.100 0.228 0.000 1.060 182 G HN 0.216 nan 8.290 nan 0.000 0.514 183 I N -1.407 119.417 120.570 0.423 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 0.279 0.000 1.048 183 I CA -0.507 61.004 61.300 0.352 0.000 1.383 183 I CB 1.397 39.594 38.000 0.328 0.000 1.412 183 I HN 0.686 nan 8.210 nan 0.000 0.531 184 Q N 6.172 126.029 119.800 0.094 0.000 2.296 184 Q HA 0.344 4.684 4.340 -0.000 0.000 0.257 184 Q C 0.535 176.513 176.000 -0.036 0.000 0.942 184 Q CA -0.554 55.137 55.803 -0.186 0.000 0.939 184 Q CB 1.438 29.971 28.738 -0.342 0.000 1.198 184 Q HN 0.933 nan 8.270 nan 0.000 0.429 185 I N 0.559 121.104 120.570 -0.041 0.000 3.793 185 I HA 0.475 4.645 4.170 -0.000 0.000 0.315 185 I C 0.629 176.749 176.117 0.004 0.000 1.275 185 I CA 0.205 61.537 61.300 0.053 0.000 1.214 185 I CB 0.243 38.238 38.000 -0.008 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 -1.156 173.677 174.900 -0.111 0.000 1.277 186 G CA 0.045 45.102 45.100 -0.072 0.000 0.927 186 G HN 0.723 nan 8.290 nan 0.000 0.477 187 V N -3.426 116.445 119.914 -0.072 0.000 2.766 187 V HA 0.592 4.712 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 -0.814 61.446 62.300 -0.066 0.000 0.934 187 V CB 1.288 33.068 31.823 -0.070 0.000 1.068 187 V HN 0.803 nan 8.190 nan 0.000 0.451 188 E N 3.825 124.013 120.200 -0.019 0.000 1.833 188 E HA 0.397 4.747 4.350 -0.000 0.000 0.258 188 E C 1.330 177.928 176.600 -0.003 0.000 1.257 188 E CA 0.995 57.393 56.400 -0.005 0.000 1.003 188 E CB 0.376 30.079 29.700 0.006 0.000 1.068 188 E HN 1.472 nan 8.360 nan 0.000 0.422 189 G N 3.837 112.634 108.800 -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 0.880 175.775 174.900 -0.007 0.000 1.366 189 G CA 0.417 45.515 45.100 -0.004 0.000 1.020 189 G HN 0.548 nan 8.290 nan 0.000 0.621 190 Q N 0.330 120.128 119.800 -0.003 0.000 2.378 190 Q HA 0.244 4.584 4.340 -0.000 0.000 0.229 190 Q C 0.712 176.710 176.000 -0.003 0.000 0.882 190 Q CA 0.799 56.600 55.803 -0.003 0.000 0.936 190 Q CB 0.787 29.526 28.738 0.001 0.000 1.092 190 Q HN 0.545 nan 8.270 nan 0.000 0.535 191 T N 2.549 117.103 114.554 0.001 0.000 2.899 191 T HA 0.313 4.663 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 -1.392 60.713 62.100 0.007 0.000 1.043 191 T CB 1.243 70.125 68.868 0.024 0.000 1.013 191 T HN -0.143 nan 8.240 nan 0.000 0.518 192 P HA 0.389 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 -0.863 62.153 63.100 -0.140 0.000 0.826 192 P CB 0.720 32.311 31.700 -0.182 0.000 0.945 193 K N 3.361 123.646 120.400 -0.192 0.000 2.234 193 K HA 0.348 4.668 4.320 -0.000 0.000 0.282 193 K C -0.319 176.136 176.600 -0.242 0.000 1.039 193 K CA -0.290 55.926 56.287 -0.117 0.000 0.928 193 K CB 0.180 32.647 32.500 -0.056 0.000 1.039 193 K HN 0.425 nan 8.250 nan 0.000 0.470 194 Y N -0.085 120.219 120.300 0.008 0.000 2.487 194 Y HA 0.455 5.005 4.550 -0.000 0.000 0.337 194 Y C 0.655 176.531 175.900 -0.040 0.000 1.076 194 Y CA -1.103 57.004 58.100 0.011 0.000 1.115 194 Y CB 1.549 40.030 38.460 0.036 0.000 1.235 194 Y HN 0.620 nan 8.280 nan 0.000 0.468 195 A N 1.500 124.378 122.820 0.096 0.000 2.498 195 A HA 0.051 4.371 4.320 -0.000 0.000 0.239 195 A C -0.145 177.350 177.584 -0.149 0.000 1.068 195 A CA -0.289 51.663 52.037 -0.141 0.000 0.766 195 A CB -0.062 18.767 19.000 -0.284 0.000 1.003 195 A HN 0.708 nan 8.150 nan 0.000 0.497 196 D N 2.049 122.249 120.400 -0.333 0.000 2.352 196 D HA 0.097 4.737 4.640 -0.000 0.000 0.245 196 D C 1.021 177.136 176.300 -0.308 0.000 1.224 196 D CA -0.005 53.842 54.000 -0.255 0.000 0.879 196 D CB 0.487 41.132 40.800 -0.259 0.000 1.057 196 D HN 0.550 nan 8.370 nan 0.000 0.491 197 K N 1.295 121.644 120.400 -0.085 0.000 2.127 197 K HA -0.238 4.082 4.320 -0.000 0.000 0.212 197 K C 1.904 178.482 176.600 -0.037 0.000 1.050 197 K CA 2.090 58.386 56.287 0.014 0.000 0.929 197 K CB -0.256 32.343 32.500 0.165 0.000 0.715 197 K HN 0.566 nan 8.250 nan 0.000 0.457 198 T N -1.075 113.489 114.554 0.017 0.000 2.881 198 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 198 T C 1.488 176.284 174.700 0.159 0.000 1.068 198 T CA 1.366 63.527 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 -0.905 118.985 119.950 -0.100 0.000 3.031 199 F HA 0.528 5.055 4.527 -0.000 0.000 0.365 199 F C -0.119 175.571 175.800 -0.185 0.000 1.128 199 F CA -1.201 56.729 58.000 -0.116 0.000 1.068 199 F CB 0.341 39.292 39.000 -0.082 0.000 1.280 199 F HN 0.016 nan 8.300 nan 0.000 0.529 200 Q N 3.854 123.162 119.800 -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 52.965 55.803 -0.821 0.000 0.832 200 Q CB 2.525 30.683 28.738 -0.965 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 -0.318 0.000 1.256 201 P CA -0.233 62.533 63.100 -0.558 0.000 0.795 201 P CB 0.858 32.278 31.700 -0.466 0.000 1.038 202 E N 1.355 121.428 120.200 -0.211 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 54.574 56.400 -0.059 0.000 0.803 202 E CB 0.586 30.295 29.700 0.015 0.000 1.090 202 E HN 0.308 nan 8.360 nan 0.000 0.396 203 P HA -0.276 nan 4.420 nan 0.000 0.217 203 P C 0.860 178.184 177.300 0.041 0.000 1.148 203 P CA 1.505 64.620 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 -1.006 118.819 119.800 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 0.678 56.511 55.803 0.051 0.000 0.865 204 Q CB -0.533 28.235 28.738 0.050 0.000 0.922 204 Q HN 0.286 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 0.104 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 3.927 112.784 108.800 0.094 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 -1.345 173.559 174.900 0.007 0.000 1.372 206 G CA -0.653 44.481 45.100 0.057 0.000 0.781 206 G HN 0.508 nan 8.290 nan 0.000 0.491 207 E N 0.015 120.196 120.200 -0.031 0.000 2.415 207 E HA 0.171 4.521 4.350 -0.000 0.000 0.262 207 E C 0.665 177.230 176.600 -0.058 0.000 1.038 207 E CA 0.136 56.494 56.400 -0.070 0.000 0.921 207 E CB 1.289 30.933 29.700 -0.093 0.000 0.950 207 E HN 0.290 nan 8.360 nan 0.000 0.438 208 S N 1.730 117.384 115.700 -0.078 0.000 2.406 208 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 208 S C 0.357 174.900 174.600 -0.096 0.000 1.030 208 S CA 0.500 58.663 58.200 -0.061 0.000 0.958 208 S CB 0.152 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 1.376 121.041 119.800 -0.226 0.000 2.317 209 Q HA 0.175 4.515 4.340 -0.000 0.000 0.229 209 Q C 0.962 176.740 176.000 -0.370 0.000 0.984 209 Q CA -0.489 55.068 55.803 -0.410 0.000 0.911 209 Q CB 0.029 28.224 28.738 -0.905 0.000 1.217 209 Q HN 0.565 nan 8.270 nan 0.000 0.501 210 W N 0.345 121.453 121.300 -0.321 0.000 2.576 210 W HA 0.063 4.723 4.660 -0.000 0.000 0.270 210 W C -0.280 176.174 176.519 -0.109 0.000 1.255 210 W CA -0.325 56.929 57.345 -0.151 0.000 1.314 210 W CB -0.562 28.875 29.460 -0.037 0.000 1.101 210 W HN 0.636 nan 8.180 nan 0.000 0.595 211 Y N 1.554 121.361 120.300 -0.822 0.000 2.304 211 Y HA 0.508 5.058 4.550 -0.000 0.000 0.327 211 Y C 0.172 175.890 175.900 -0.304 0.000 1.209 211 Y CA -2.171 55.529 58.100 -0.668 0.000 1.299 211 Y CB 0.032 37.813 38.460 -1.131 0.000 1.249 211 Y HN -0.084 nan 8.280 nan 0.000 0.519 212 E N 1.483 121.717 120.200 0.056 0.000 2.351 212 E HA 0.027 4.377 4.350 -0.000 0.000 0.266 212 E C -0.004 176.648 176.600 0.087 0.000 1.031 212 E CA 0.164 56.588 56.400 0.039 0.000 0.911 212 E CB 0.803 30.524 29.700 0.035 0.000 0.986 212 E HN 0.836 nan 8.360 nan 0.000 0.446 213 T N 3.185 117.771 114.554 0.053 0.000 3.069 213 T HA -0.009 4.341 4.350 -0.000 0.000 0.252 213 T C -0.619 174.089 174.700 0.014 0.000 1.053 213 T CA -0.025 62.113 62.100 0.064 0.000 0.964 213 T CB 0.015 68.917 68.868 0.057 0.000 1.005 213 T HN 0.607 nan 8.240 nan 0.000 0.532 214 E N 1.150 121.350 120.200 0.001 0.000 5.234 214 E HA -0.123 4.227 4.350 -0.000 0.000 0.170 214 E C -0.880 175.713 176.600 -0.012 0.000 1.556 214 E CA -0.053 56.343 56.400 -0.008 0.000 1.185 214 E CB -1.090 28.605 29.700 -0.008 0.000 1.023 214 E HN 0.519 nan 8.360 nan 0.000 0.337 215 I N 3.028 123.587 120.570 -0.018 0.000 2.416 215 I HA 0.050 4.220 4.170 -0.000 0.000 0.288 215 I C 1.537 177.639 176.117 -0.025 0.000 1.051 215 I CA -0.269 61.020 61.300 -0.017 0.000 1.375 215 I CB 0.596 38.580 38.000 -0.027 0.000 1.407 215 I HN 0.415 nan 8.210 nan 0.000 0.516 216 N N 3.505 122.193 118.700 -0.020 0.000 2.402 216 N HA 0.008 4.748 4.740 -0.000 0.000 0.174 216 N C -0.130 175.162 175.510 -0.362 0.000 1.027 216 N CA 0.767 53.723 53.050 -0.157 0.000 0.891 216 N CB 0.247 38.653 38.487 -0.136 0.000 1.016 216 N HN 0.566 nan 8.380 nan 0.000 0.439 217 H N -0.084 118.998 119.070 0.020 0.000 2.736 217 H HA 0.586 5.142 4.556 -0.000 0.000 0.271 217 H C -0.576 174.783 175.328 0.051 0.000 1.184 217 H CA -0.525 55.554 56.048 0.051 0.000 1.378 217 H CB 1.059 30.854 29.762 0.054 0.000 1.428 217 H HN 0.077 nan 8.280 nan 0.000 0.500 218 A N 2.130 125.025 122.820 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 -0.224 51.884 52.037 0.118 0.000 0.830 218 A CB 0.927 19.964 19.000 0.062 0.000 1.234 218 A HN 0.701 nan 8.150 nan 0.000 0.483 219 A N -0.250 122.700 122.820 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 0.184 0.000 1.117 219 A CA -0.116 52.067 52.037 0.243 0.000 0.723 219 A CB 1.634 20.818 19.000 0.307 0.000 1.313 219 A HN 2.430 nan 8.150 nan 0.000 0.411 220 G N -0.245 108.657 108.800 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 -0.889 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 3.210 123.172 119.914 0.080 0.000 3.159 222 V HA 0.505 4.625 4.120 -0.000 0.000 0.308 222 V C -1.440 174.698 176.094 0.074 0.000 1.190 222 V CA -0.979 61.364 62.300 0.071 0.000 1.037 222 V CB 2.549 34.412 31.823 0.067 0.000 1.060 222 V HN 0.566 nan 8.190 nan 0.000 0.437 223 L N 4.129 125.401 121.223 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 0.603 nan 8.230 nan 0.000 0.423 224 K N 1.976 122.417 120.400 0.070 0.000 2.336 224 K HA -0.020 4.300 4.320 -0.000 0.000 0.262 224 K C 1.030 177.681 176.600 0.085 0.000 0.992 224 K CA -0.106 56.222 56.287 0.068 0.000 0.927 224 K CB 0.671 33.200 32.500 0.048 0.000 0.956 224 K HN 0.545 nan 8.250 nan 0.000 0.495 225 K N -0.239 120.216 120.400 0.091 0.000 2.442 225 K HA -0.110 4.210 4.320 -0.000 0.000 0.198 225 K C 1.135 177.789 176.600 0.090 0.000 1.044 225 K CA 1.673 58.029 56.287 0.116 0.000 0.948 225 K CB -0.222 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 -1.880 112.713 114.554 0.065 0.000 3.085 226 T HA -0.009 4.341 4.350 -0.000 0.000 0.263 226 T C 0.665 175.392 174.700 0.044 0.000 1.127 226 T CA 0.191 62.321 62.100 0.049 0.000 1.103 226 T CB -0.122 68.768 68.868 0.036 0.000 0.921 226 T HN 0.043 nan 8.240 nan 0.000 0.510 227 T N 5.155 119.739 114.554 0.051 0.000 2.744 227 T HA 0.392 4.742 4.350 -0.000 0.000 0.291 227 T C -2.540 172.190 174.700 0.049 0.000 0.957 227 T CA -1.371 60.754 62.100 0.041 0.000 1.002 227 T CB 1.361 70.252 68.868 0.038 0.000 0.919 227 T HN 0.193 nan 8.240 nan 0.000 0.468 228 P HA 0.054 nan 4.420 nan 0.000 0.266 228 P C -0.315 177.007 177.300 0.036 0.000 1.195 228 P CA -0.266 62.854 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 3.146 122.765 119.600 0.032 0.000 2.217 229 M HA 0.134 4.614 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 0.628 55.945 55.300 0.028 0.000 1.137 229 M CB 0.276 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 4.503 124.921 120.400 0.030 0.000 2.527 230 K HA 0.527 4.847 4.320 -0.000 0.000 0.260 230 K C -2.750 173.882 176.600 0.054 0.000 0.937 230 K CA -1.802 54.506 56.287 0.034 0.000 0.826 230 K CB 1.697 34.220 32.500 0.039 0.000 1.359 230 K HN 0.297 nan 8.250 nan 0.000 0.434 231 P HA 0.028 nan 4.420 nan 0.000 0.268 231 P C 0.920 178.293 177.300 0.121 0.000 1.208 231 P CA -0.156 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 3.335 122.717 119.300 0.136 0.000 2.413 232 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 232 C C 1.381 176.475 174.990 0.175 0.000 1.236 232 C CA 0.442 59.545 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 1.212 121.556 120.300 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 1.299 59.447 58.100 0.080 0.000 1.535 233 Y CB -0.060 38.430 38.460 0.050 0.000 1.220 233 Y HN 0.661 nan 8.280 nan 0.000 0.531 234 G N 3.017 111.690 108.800 -0.211 0.000 2.195 234 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 234 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 234 G C 0.235 175.195 174.900 0.101 0.000 0.984 234 G CA 0.141 45.209 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 0.557 5.027 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 0.070 58.296 58.200 0.043 0.000 1.058 235 S CB 1.000 64.229 63.200 0.048 0.000 0.899 235 S HN 0.752 nan 8.310 nan 0.000 0.493 236 Y N 1.410 121.542 120.300 -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 -0.994 56.827 58.100 -0.464 0.000 1.022 236 Y CB 1.402 39.261 38.460 -1.002 0.000 1.292 236 Y HN 0.668 nan 8.280 nan 0.000 0.459 237 A N 5.698 127.814 122.820 -1.173 0.000 2.485 237 A HA 0.479 4.799 4.320 -0.000 0.000 0.285 237 A C -1.458 175.552 177.584 -0.957 0.000 1.045 237 A CA -1.000 50.534 52.037 -0.838 0.000 0.792 237 A CB 0.679 19.459 19.000 -0.367 0.000 1.307 237 A HN 0.803 nan 8.150 nan 0.000 0.406 238 K N 3.297 123.236 120.400 -0.770 0.000 2.485 238 K HA 0.354 4.674 4.320 -0.000 0.000 0.277 238 K C -2.382 174.103 176.600 -0.191 0.000 0.990 238 K CA -0.650 55.427 56.287 -0.349 0.000 0.994 238 K CB 0.339 32.789 32.500 -0.084 0.000 0.906 238 K HN 0.352 nan 8.250 nan 0.000 0.488 239 P HA 0.012 nan 4.420 nan 0.000 0.278 239 P C -0.112 177.167 177.300 -0.036 0.000 1.238 239 P CA -0.405 62.661 63.100 -0.056 0.000 0.794 239 P CB 1.310 32.995 31.700 -0.025 0.000 0.955 240 T N -1.740 112.797 114.554 -0.028 0.000 3.092 240 T HA 0.198 4.548 4.350 -0.000 0.000 0.258 240 T C 0.222 174.914 174.700 -0.013 0.000 1.031 240 T CA -0.307 61.783 62.100 -0.017 0.000 0.925 240 T CB -0.757 68.104 68.868 -0.011 0.000 1.036 240 T HN 0.593 nan 8.240 nan 0.000 0.544 241 N N -0.693 117.992 118.700 -0.024 0.000 2.484 241 N HA 0.234 4.974 4.740 -0.000 0.000 0.269 241 N C 0.171 175.634 175.510 -0.078 0.000 1.237 241 N CA -0.993 52.032 53.050 -0.041 0.000 0.838 241 N CB 1.270 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 -0.167 119.976 120.200 -0.096 0.000 2.396 242 E HA -0.172 4.178 4.350 -0.000 0.000 0.200 242 E C -0.054 176.434 176.600 -0.187 0.000 1.023 242 E CA 0.961 57.292 56.400 -0.114 0.000 0.857 242 E CB -0.097 29.541 29.700 -0.102 0.000 0.775 242 E HN 0.488 nan 8.360 nan 0.000 0.525 243 N N -0.612 117.910 118.700 -0.297 0.000 2.270 243 N HA 0.039 4.779 4.740 -0.000 0.000 0.198 243 N C 0.851 176.206 175.510 -0.259 0.000 1.117 243 N CA 0.831 53.581 53.050 -0.500 0.000 0.845 243 N CB 1.258 38.941 38.487 -1.339 0.000 0.980 243 N HN 0.320 nan 8.380 nan 0.000 0.486 244 G N -0.031 108.698 108.800 -0.119 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 0.502 175.406 174.900 0.006 0.000 0.982 244 G CA -0.080 44.999 45.100 -0.035 0.000 0.641 244 G HN 0.557 nan 8.290 nan 0.000 0.527 245 G N -0.517 108.302 108.800 0.031 0.000 2.544 245 G HA2 0.481 4.441 3.960 -0.000 0.000 0.242 245 G HA3 0.481 4.441 3.960 -0.000 0.000 0.242 245 G C 0.354 175.257 174.900 0.004 0.000 1.247 245 G CA 0.147 45.280 45.100 0.056 0.000 0.840 245 G HN 0.513 nan 8.290 nan 0.000 0.578 246 Q N 1.300 121.095 119.800 -0.009 0.000 2.233 246 Q HA 0.249 4.589 4.340 -0.000 0.000 0.340 246 Q C 1.709 177.693 176.000 -0.027 0.000 0.899 246 Q CA -0.068 55.709 55.803 -0.043 0.000 1.139 246 Q CB 1.210 29.895 28.738 -0.088 0.000 1.273 246 Q HN 0.673 nan 8.270 nan 0.000 0.431 247 G N 0.535 109.334 108.800 -0.002 0.000 2.418 247 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.217 247 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.217 247 G C 0.914 175.815 174.900 0.002 0.000 1.158 247 G CA 1.210 46.315 45.100 0.007 0.000 0.771 247 G HN 0.424 nan 8.290 nan 0.000 0.545 248 I N -3.642 116.926 120.570 -0.004 0.000 1.251 248 I HA -0.008 4.162 4.170 -0.000 0.000 0.295 248 I C -0.620 175.496 176.117 -0.002 0.000 0.524 248 I CA -0.304 60.994 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 1.129 122.354 121.223 0.003 0.000 3.065 249 L HA 0.006 4.346 4.340 -0.000 0.000 0.429 249 L C -0.891 175.982 176.870 0.004 0.000 0.956 249 L CA -0.403 54.439 54.840 0.004 0.000 1.409 249 L CB -0.920 41.139 42.059 0.001 0.000 1.708 249 L HN 0.170 nan 8.230 nan 0.000 0.428 250 V N 0.930 120.848 119.914 0.005 0.000 2.668 250 V HA 0.811 4.931 4.120 -0.000 0.000 0.304 250 V C -0.045 176.052 176.094 0.006 0.000 1.071 250 V CA 0.089 62.392 62.300 0.005 0.000 0.894 250 V CB 1.808 33.634 31.823 0.005 0.000 1.008 250 V HN 0.394 nan 8.190 nan 0.000 0.425 251 K N 3.581 123.985 120.400 0.005 0.000 2.972 251 K HA -0.195 4.125 4.320 -0.000 0.000 0.853 251 K C 0.687 177.291 176.600 0.006 0.000 2.102 251 K CA 0.698 56.988 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 0.939 nan 8.250 nan 0.000 0.218 252 Q N 0.934 120.737 119.800 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 0.901 56.707 55.803 0.004 0.000 0.892 252 Q CB 0.478 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 -1.226 118.576 119.800 0.003 0.000 2.756 253 Q HA 0.190 4.530 4.340 -0.000 0.000 0.295 253 Q C -0.871 175.131 176.000 0.003 0.000 0.903 253 Q CA -0.718 55.086 55.803 0.003 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 -0.325 118.377 118.700 0.002 0.000 1.482 254 N HA -0.262 4.478 4.740 -0.000 0.000 0.143 254 N C 0.235 175.747 175.510 0.003 0.000 0.494 254 N CA 2.046 55.097 53.050 0.002 0.000 1.128 254 N CB -1.521 36.967 38.487 0.002 0.000 1.360 254 N HN 0.762 nan 8.380 nan 0.000 0.441 255 G N 1.515 110.317 108.800 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 -0.104 174.799 174.900 0.005 0.000 1.209 255 G CA 0.142 45.244 45.100 0.004 0.000 0.835 255 G HN 0.736 nan 8.290 nan 0.000 0.534 256 K N 2.410 122.813 120.400 0.005 0.000 2.568 256 K HA 0.301 4.621 4.320 -0.000 0.000 0.273 256 K C -0.570 176.034 176.600 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 33.378 32.500 0.006 0.000 1.424 256 K HN 0.336 nan 8.250 nan 0.000 0.427 257 L N 0.897 122.125 121.223 0.007 0.000 2.240 257 L HA 0.037 4.377 4.340 -0.000 0.000 0.166 257 L C 1.481 178.357 176.870 0.010 0.000 0.893 257 L CA 0.125 54.970 54.840 0.009 0.000 1.058 257 L CB -0.266 41.800 42.059 0.012 0.000 1.371 257 L HN 0.662 nan 8.230 nan 0.000 0.480 258 E N -0.581 119.627 120.200 0.013 0.000 2.683 258 E HA -0.025 4.325 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 0.362 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 0.423 175.033 174.600 0.017 0.000 0.714 259 S CA -0.458 57.752 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 -0.961 118.851 119.800 0.021 0.000 2.397 260 Q HA 0.570 4.910 4.340 -0.000 0.000 0.384 260 Q C -1.549 174.469 176.000 0.029 0.000 0.574 260 Q CA -0.360 55.455 55.803 0.020 0.000 1.025 260 Q CB 0.906 29.652 28.738 0.013 0.000 0.985 260 Q HN 0.644 nan 8.270 nan 0.000 0.456 261 V N 0.200 120.128 119.914 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 61.691 62.300 0.031 0.000 0.889 261 V CB 0.634 32.501 31.823 0.072 0.000 1.226 261 V HN 0.751 nan 8.190 nan 0.000 0.228 262 E N 1.987 122.169 120.200 -0.030 0.000 2.307 262 E HA 0.534 4.884 4.350 -0.000 0.000 0.280 262 E C -0.979 175.502 176.600 -0.199 0.000 0.900 262 E CA -0.763 55.583 56.400 -0.090 0.000 0.790 262 E CB 1.995 31.659 29.700 -0.059 0.000 1.261 262 E HN 0.647 nan 8.360 nan 0.000 0.405 263 M N 2.175 121.568 119.600 -0.344 0.000 2.245 263 M HA 0.112 4.592 4.480 -0.000 0.000 0.344 263 M C -0.113 175.856 176.300 -0.551 0.000 1.170 263 M CA 0.836 55.752 55.300 -0.639 0.000 1.135 263 M CB 0.429 32.507 32.600 -0.870 0.000 1.574 263 M HN 0.325 nan 8.290 nan 0.000 0.452 264 Q N 3.083 122.515 119.800 -0.613 0.000 2.490 264 Q HA 0.379 4.719 4.340 -0.000 0.000 0.255 264 Q C -1.502 173.927 176.000 -0.952 0.000 0.997 264 Q CA -0.321 55.123 55.803 -0.598 0.000 0.709 264 Q CB 1.122 29.711 28.738 -0.247 0.000 1.255 264 Q HN 0.483 nan 8.270 nan 0.000 0.486 265 F N 1.719 121.273 119.950 -0.659 0.000 2.459 265 F HA 0.388 4.915 4.527 -0.000 0.000 0.346 265 F C 0.153 175.427 175.800 -0.876 0.000 1.128 265 F CA 0.210 57.900 58.000 -0.517 0.000 1.268 265 F CB 0.437 39.272 39.000 -0.276 0.000 1.161 265 F HN 0.317 nan 8.300 nan 0.000 0.583 266 F N -0.077 119.954 119.950 0.134 0.000 2.613 266 F HA 0.516 5.043 4.527 -0.000 0.000 0.310 266 F C 0.008 175.837 175.800 0.048 0.000 1.085 266 F CA -0.915 57.120 58.000 0.058 0.000 0.945 266 F CB 1.907 40.916 39.000 0.014 0.000 1.298 266 F HN 0.468 nan 8.300 nan 0.000 0.455 267 S N -0.575 115.249 115.700 0.206 0.000 2.753 267 S HA 0.611 5.081 4.470 -0.000 0.000 0.302 267 S C -0.016 174.635 174.600 0.085 0.000 1.104 267 S CA -0.345 57.919 58.200 0.108 0.000 0.968 267 S CB 1.594 64.830 63.200 0.059 0.000 1.278 267 S HN 0.554 nan 8.310 nan 0.000 0.549 268 T N 0.784 115.365 114.554 0.045 0.000 3.132 268 T HA 0.330 4.680 4.350 -0.000 0.000 0.274 268 T C -0.371 174.342 174.700 0.022 0.000 1.011 268 T CA 0.355 62.471 62.100 0.028 0.000 0.899 268 T CB -0.289 68.587 68.868 0.012 0.000 1.089 268 T HN 0.881 nan 8.240 nan 0.000 0.543 269 T N 2.593 117.161 114.554 0.025 0.000 4.385 269 T HA -0.143 4.207 4.350 -0.000 0.000 0.330 269 T C -0.156 174.550 174.700 0.010 0.000 0.771 269 T CA 0.432 62.542 62.100 0.017 0.000 1.973 269 T CB -1.586 67.292 68.868 0.016 0.000 1.908 269 T HN 0.551 nan 8.240 nan 0.000 0.933 270 E N 1.493 121.697 120.200 0.008 0.000 2.129 270 E HA 0.513 4.863 4.350 -0.000 0.000 0.283 270 E C 0.591 177.191 176.600 0.001 0.000 1.080 270 E CA 0.266 56.668 56.400 0.003 0.000 0.867 270 E CB 0.847 30.547 29.700 0.000 0.000 1.056 270 E HN 0.836 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 0.966 178.549 177.584 -0.002 0.000 0.138 271 A CA 0.582 52.618 52.037 -0.001 0.000 0.027 271 A CB -1.589 17.409 19.000 -0.003 0.000 3.972 271 A HN 0.858 nan 8.150 nan 0.000 0.548 272 T N 1.140 115.693 114.554 -0.002 0.000 2.814 272 T HA 0.635 4.985 4.350 -0.000 0.000 0.254 272 T C 1.483 176.180 174.700 -0.006 0.000 1.037 272 T CA 2.097 64.195 62.100 -0.003 0.000 1.143 272 T CB -0.220 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 1.369 124.186 122.820 -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 0.677 nan 8.150 nan 0.000 0.498 274 G N 2.662 111.454 108.800 -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 0.253 175.144 174.900 -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 2.384 121.076 118.700 -0.013 0.000 2.518 275 N HA 0.057 4.797 4.740 -0.000 0.000 0.230 275 N C 1.694 177.196 175.510 -0.014 0.000 1.022 275 N CA 0.693 53.735 53.050 -0.013 0.000 1.172 275 N CB 0.292 38.773 38.487 -0.010 0.000 1.498 275 N HN 0.396 nan 8.380 nan 0.000 0.602 276 G N 1.164 109.957 108.800 -0.011 0.000 3.228 276 G HA2 0.053 4.013 3.960 -0.000 0.000 0.245 276 G HA3 0.053 4.013 3.960 -0.000 0.000 0.245 276 G C -0.286 174.608 174.900 -0.011 0.000 1.051 276 G CA -0.163 44.931 45.100 -0.011 0.000 0.809 276 G HN 0.389 nan 8.290 nan 0.000 0.531 277 D N 0.877 121.271 120.400 -0.011 0.000 2.368 277 D HA 0.019 4.659 4.640 -0.000 0.000 0.240 277 D C -0.375 175.917 176.300 -0.012 0.000 1.169 277 D CA -0.458 53.536 54.000 -0.009 0.000 0.906 277 D CB 0.583 41.378 40.800 -0.009 0.000 1.187 277 D HN -0.013 nan 8.370 nan 0.000 0.435 278 N N 1.891 120.585 118.700 -0.009 0.000 2.558 278 N HA 0.071 4.811 4.740 -0.000 0.000 0.233 278 N C 0.653 176.155 175.510 -0.012 0.000 1.038 278 N CA -0.419 52.625 53.050 -0.010 0.000 0.934 278 N CB 1.152 39.640 38.487 0.001 0.000 1.175 278 N HN 0.422 nan 8.380 nan 0.000 0.512 279 L N 0.971 122.179 121.223 -0.024 0.000 2.740 279 L HA -0.085 4.255 4.340 -0.000 0.000 0.242 279 L C 0.626 177.483 176.870 -0.022 0.000 1.175 279 L CA 0.599 55.424 54.840 -0.026 0.000 0.859 279 L CB -1.370 40.663 42.059 -0.044 0.000 0.992 279 L HN 0.506 nan 8.230 nan 0.000 0.454 280 T N -0.183 114.364 114.554 -0.011 0.000 2.657 280 T HA -0.046 4.304 4.350 -0.000 0.000 0.245 280 T C -1.868 172.845 174.700 0.021 0.000 1.021 280 T CA -1.078 61.029 62.100 0.012 0.000 1.155 280 T CB -0.383 68.507 68.868 0.037 0.000 1.022 280 T HN 0.188 nan 8.240 nan 0.000 0.477 281 P HA 0.243 nan 4.420 nan 0.000 0.271 281 P C 0.228 177.566 177.300 0.062 0.000 1.233 281 P CA -0.472 62.692 63.100 0.108 0.000 0.789 281 P CB 0.901 32.747 31.700 0.243 0.000 0.951 282 K N -0.691 119.752 120.400 0.073 0.000 2.450 282 K HA 0.306 4.626 4.320 -0.000 0.000 0.206 282 K C -0.621 176.011 176.600 0.054 0.000 1.148 282 K CA 0.116 56.403 56.287 -0.000 0.000 1.014 282 K CB 0.849 33.345 32.500 -0.006 0.000 0.966 282 K HN 0.194 nan 8.250 nan 0.000 0.566 283 V N 1.470 121.468 119.914 0.141 0.000 2.823 283 V HA 0.163 4.283 4.120 -0.000 0.000 0.296 283 V C -1.174 175.053 176.094 0.221 0.000 1.250 283 V CA -0.942 61.455 62.300 0.161 0.000 0.939 283 V CB 2.140 34.030 31.823 0.112 0.000 1.062 283 V HN -0.259 nan 8.190 nan 0.000 0.433 284 V N 6.221 126.235 119.914 0.166 0.000 2.347 284 V HA 0.515 4.635 4.120 -0.000 0.000 0.280 284 V C -0.175 175.972 176.094 0.089 0.000 1.021 284 V CA -0.431 61.885 62.300 0.027 0.000 0.847 284 V CB 1.505 33.298 31.823 -0.051 0.000 0.990 284 V HN 0.629 nan 8.190 nan 0.000 0.444 285 L N 5.243 126.507 121.223 0.068 0.000 2.282 285 L HA 0.488 4.828 4.340 -0.000 0.000 0.288 285 L C -0.963 175.898 176.870 -0.015 0.000 1.033 285 L CA -0.647 54.275 54.840 0.137 0.000 0.807 285 L CB 1.311 43.506 42.059 0.227 0.000 1.209 285 L HN 0.556 nan 8.230 nan 0.000 0.423 286 Y N 1.672 121.954 120.300 -0.031 0.000 2.802 286 Y HA 0.128 4.678 4.550 -0.000 0.000 0.330 286 Y C 1.035 176.922 175.900 -0.021 0.000 1.193 286 Y CA -0.684 57.384 58.100 -0.053 0.000 1.427 286 Y CB 0.391 38.811 38.460 -0.066 0.000 1.357 286 Y HN 0.546 nan 8.280 nan 0.000 0.501 287 S N 2.113 117.849 115.700 0.060 0.000 2.572 287 S HA 0.451 4.921 4.470 -0.000 0.000 0.279 287 S C -0.148 174.485 174.600 0.055 0.000 1.341 287 S CA -0.572 57.664 58.200 0.060 0.000 1.043 287 S CB 1.104 64.329 63.200 0.043 0.000 0.887 287 S HN 0.716 nan 8.310 nan 0.000 0.516 288 E N 0.335 120.566 120.200 0.053 0.000 2.429 288 E HA 0.380 4.730 4.350 -0.000 0.000 0.280 288 E C -2.118 174.501 176.600 0.033 0.000 1.068 288 E CA -1.026 55.398 56.400 0.041 0.000 0.837 288 E CB 0.781 30.508 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 0.023 0.000 2.217 289 D HA 0.450 5.090 4.640 -0.000 0.000 0.243 289 D C -0.485 175.816 176.300 0.001 0.000 1.054 289 D CA -0.307 53.702 54.000 0.016 0.000 0.838 289 D CB 2.151 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 -0.737 119.171 119.914 -0.010 0.000 2.914 290 V HA 0.409 4.529 4.120 -0.000 0.000 0.314 290 V C 0.099 176.164 176.094 -0.048 0.000 1.084 290 V CA -0.960 61.317 62.300 -0.039 0.000 0.963 290 V CB 2.401 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 2.859 123.216 120.400 -0.072 0.000 2.671 291 D HA 0.165 4.805 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 0.129 54.090 54.000 -0.065 0.000 1.044 291 D CB 0.111 40.874 40.800 -0.063 0.000 1.113 291 D HN 0.700 nan 8.370 nan 0.000 0.480 292 I N 2.412 122.942 120.570 -0.068 0.000 2.618 292 I HA 0.004 4.174 4.170 -0.000 0.000 0.284 292 I C 0.219 176.320 176.117 -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 3.865 124.057 120.200 -0.013 0.000 2.408 293 E HA 0.462 4.812 4.350 -0.000 0.000 0.275 293 E C -1.306 175.328 176.600 0.056 0.000 0.935 293 E CA -0.922 55.504 56.400 0.042 0.000 0.775 293 E CB 1.736 31.486 29.700 0.083 0.000 1.277 293 E HN 0.456 nan 8.360 nan 0.000 0.455 294 T N -0.995 113.598 114.554 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 -1.423 60.724 62.100 0.079 0.000 1.497 294 T CB 0.820 69.736 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 0.318 177.665 177.300 0.079 0.000 1.151 295 P CA 1.136 64.286 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 -1.323 119.147 120.400 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 0.064 0.000 0.816 296 D CB -0.319 40.515 40.800 0.057 0.000 1.066 296 D HN 0.142 nan 8.370 nan 0.000 0.501 297 T N -2.676 111.957 114.554 0.132 0.000 2.865 297 T HA 0.624 4.974 4.350 -0.000 0.000 0.294 297 T C -0.591 174.243 174.700 0.223 0.000 1.119 297 T CA -0.863 61.343 62.100 0.178 0.000 1.007 297 T CB 2.493 71.444 68.868 0.138 0.000 1.225 297 T HN 0.307 nan 8.240 nan 0.000 0.515 298 H N -0.474 118.627 119.070 0.052 0.000 2.977 298 H HA 0.543 5.099 4.556 -0.000 0.000 0.350 298 H C -1.156 174.189 175.328 0.028 0.000 1.238 298 H CA -1.438 54.623 56.048 0.022 0.000 1.124 298 H CB 0.754 30.505 29.762 -0.019 0.000 1.866 298 H HN 0.523 nan 8.280 nan 0.000 0.550 299 I N 2.625 123.201 120.570 0.009 0.000 2.452 299 I HA -0.045 4.125 4.170 -0.000 0.000 0.287 299 I C 1.510 177.571 176.117 -0.093 0.000 1.079 299 I CA 0.220 61.489 61.300 -0.052 0.000 1.387 299 I CB 0.983 38.972 38.000 -0.019 0.000 1.404 299 I HN 0.761 nan 8.210 nan 0.000 0.522 300 S N 5.861 121.489 115.700 -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 -0.080 0.000 0.909 300 S CB -0.036 63.087 63.200 -0.128 0.000 0.781 300 S HN 0.597 nan 8.310 nan 0.000 0.521 301 Y N 1.285 121.540 120.300 -0.075 0.000 2.294 301 Y HA 0.557 5.107 4.550 -0.000 0.000 0.329 301 Y C -1.309 174.562 175.900 -0.047 0.000 1.135 301 Y CA -1.349 56.718 58.100 -0.054 0.000 1.213 301 Y CB 1.020 39.445 38.460 -0.059 0.000 1.141 301 Y HN 0.048 nan 8.280 nan 0.000 0.446 302 M N 9.042 128.322 119.600 -0.533 0.000 2.063 302 M HA 0.333 4.813 4.480 -0.000 0.000 0.348 302 M C -1.980 173.884 176.300 -0.727 0.000 1.180 302 M CA -2.627 52.378 55.300 -0.493 0.000 1.059 302 M CB 1.122 33.577 32.600 -0.242 0.000 1.544 302 M HN 0.455 nan 8.290 nan 0.000 0.447 303 P HA -0.018 nan 4.420 nan 0.000 0.214 303 P C -0.142 177.007 177.300 -0.252 0.000 1.162 303 P CA 1.154 63.957 63.100 -0.494 0.000 0.874 303 P CB 0.359 31.891 31.700 -0.280 0.000 0.784 304 T N -1.086 113.348 114.554 -0.199 0.000 2.907 304 T HA 0.342 4.692 4.350 -0.000 0.000 0.292 304 T C 0.819 175.453 174.700 -0.110 0.000 1.043 304 T CA -0.531 61.492 62.100 -0.128 0.000 1.003 304 T CB 1.751 70.558 68.868 -0.102 0.000 1.084 304 T HN -0.118 nan 8.240 nan 0.000 0.483 305 I N 0.783 121.306 120.570 -0.079 0.000 2.716 305 I HA 0.128 4.298 4.170 -0.000 0.000 0.259 305 I C 0.651 176.739 176.117 -0.048 0.000 1.172 305 I CA 0.511 61.774 61.300 -0.061 0.000 1.478 305 I CB 0.103 38.077 38.000 -0.044 0.000 1.104 305 I HN 0.501 nan 8.210 nan 0.000 0.439 306 K N 2.885 123.257 120.400 -0.046 0.000 2.511 306 K HA -0.040 4.280 4.320 -0.000 0.000 0.280 306 K C -0.021 176.558 176.600 -0.034 0.000 1.008 306 K CA 0.342 56.609 56.287 -0.034 0.000 1.050 306 K CB 0.264 32.744 32.500 -0.032 0.000 0.889 306 K HN 0.311 nan 8.250 nan 0.000 0.484 307 E N 0.675 120.863 120.200 -0.020 0.000 2.371 307 E HA 0.307 4.657 4.350 -0.000 0.000 0.257 307 E C 0.256 176.852 176.600 -0.006 0.000 1.134 307 E CA -0.128 56.264 56.400 -0.014 0.000 0.919 307 E CB 0.821 30.517 29.700 -0.005 0.000 1.025 307 E HN 0.711 nan 8.360 nan 0.000 0.438 308 G N 1.484 110.284 108.800 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 0.522 119.248 118.700 0.043 0.000 2.497 309 N HA 0.573 5.313 4.740 -0.000 0.000 0.268 309 N C 0.578 176.112 175.510 0.039 0.000 1.171 309 N CA 0.713 53.786 53.050 0.039 0.000 0.948 309 N CB 1.446 40.004 38.487 0.117 0.000 1.069 309 N HN 1.275 nan 8.380 nan 0.000 0.460 310 S N 0.476 116.085 115.700 -0.150 0.000 2.638 310 S HA 0.410 4.880 4.470 -0.000 0.000 0.274 310 S C 0.821 174.918 174.600 -0.837 0.000 1.157 310 S CA -0.971 57.043 58.200 -0.309 0.000 0.826 310 S CB 2.392 65.499 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 -1.058 0.000 2.105 311 R HA -0.104 4.236 4.340 -0.000 0.000 0.239 311 R C 1.423 177.362 176.300 -0.602 0.000 1.135 311 R CA 1.783 57.224 56.100 -1.098 0.000 0.967 311 R CB -0.361 29.620 30.300 -0.530 0.000 0.861 311 R HN 0.731 nan 8.270 nan 0.000 0.442 312 E N 0.924 120.895 120.200 -0.382 0.000 2.070 312 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 312 E C 2.008 178.462 176.600 -0.244 0.000 1.004 312 E CA 1.153 57.404 56.400 -0.247 0.000 0.805 312 E CB -0.333 29.262 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 55.126 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 1.707 177.902 176.300 -0.175 0.000 1.086 314 M CA 1.066 56.198 55.300 -0.280 0.000 1.096 314 M CB -0.278 32.049 32.600 -0.455 0.000 1.424 314 M HN 0.284 nan 8.290 nan 0.000 0.488 315 G N 0.345 109.071 108.800 -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 0.044 119.855 119.800 0.019 0.000 2.340 316 Q HA 0.479 4.819 4.340 -0.000 0.000 0.249 316 Q C -0.783 175.260 176.000 0.071 0.000 0.957 316 Q CA -0.176 55.651 55.803 0.039 0.000 0.882 316 Q CB 0.939 29.639 28.738 -0.062 0.000 1.235 316 Q HN 0.223 nan 8.270 nan 0.000 0.439 317 Q N 1.015 120.877 119.800 0.103 0.000 2.345 317 Q HA 0.501 4.841 4.340 -0.000 0.000 0.268 317 Q C -1.233 174.765 176.000 -0.004 0.000 1.054 317 Q CA -0.737 55.088 55.803 0.038 0.000 0.835 317 Q CB 2.487 31.239 28.738 0.023 0.000 1.339 317 Q HN 0.716 nan 8.270 nan 0.000 0.447 318 S N 1.663 117.354 115.700 -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 57.577 58.200 0.009 0.000 1.048 318 S CB 0.854 64.173 63.200 0.199 0.000 1.053 318 S HN 0.635 nan 8.310 nan 0.000 0.501 319 M N 5.023 124.546 119.600 -0.128 0.000 2.433 319 M HA 0.537 5.017 4.480 -0.000 0.000 0.290 319 M C -2.774 173.527 176.300 0.001 0.000 1.173 319 M CA -2.138 53.076 55.300 -0.145 0.000 0.905 319 M CB 2.519 34.917 32.600 -0.338 0.000 1.692 319 M HN 0.409 nan 8.290 nan 0.000 0.462 320 P HA 0.083 nan 4.420 nan 0.000 0.271 320 P C -1.217 176.194 177.300 0.185 0.000 1.216 320 P CA -0.066 63.154 63.100 0.200 0.000 0.776 320 P CB 0.331 32.154 31.700 0.204 0.000 0.881 321 N N 2.653 121.452 118.700 0.166 0.000 2.453 321 N HA 0.078 4.818 4.740 -0.000 0.000 0.253 321 N C 0.625 176.109 175.510 -0.044 0.000 1.252 321 N CA 0.033 53.139 53.050 0.093 0.000 0.917 321 N CB 0.178 38.709 38.487 0.073 0.000 1.117 321 N HN 0.295 nan 8.380 nan 0.000 0.442 322 R N 1.819 122.240 120.500 -0.133 0.000 2.570 322 R HA 0.113 4.453 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 -0.904 55.072 56.100 -0.208 0.000 1.065 322 R CB -0.073 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 0.003 nan 4.420 nan 0.000 0.271 323 P C -0.961 176.175 177.300 -0.274 0.000 1.218 323 P CA -0.107 62.768 63.100 -0.375 0.000 0.780 323 P CB 0.651 32.125 31.700 -0.376 0.000 0.901 324 N N 1.750 120.196 118.700 -0.424 0.000 2.629 324 N HA 0.212 4.952 4.740 -0.000 0.000 0.277 324 N C -1.765 173.581 175.510 -0.274 0.000 1.188 324 N CA -0.410 52.505 53.050 -0.224 0.000 0.835 324 N CB 0.161 38.576 38.487 -0.121 0.000 1.420 324 N HN 0.143 nan 8.380 nan 0.000 0.542 325 Y N 2.748 123.081 120.300 0.053 0.000 2.319 325 Y HA 0.479 5.029 4.550 -0.000 0.000 0.328 325 Y C 0.580 176.587 175.900 0.178 0.000 1.133 325 Y CA -0.103 58.093 58.100 0.160 0.000 1.265 325 Y CB 0.911 39.455 38.460 0.140 0.000 1.218 325 Y HN 0.308 nan 8.280 nan 0.000 0.508 326 I N 2.927 123.737 120.570 0.401 0.000 2.533 326 I HA 0.773 4.943 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 60.658 61.300 0.081 0.000 1.057 326 I CB 1.744 39.719 38.000 -0.043 0.000 1.240 326 I HN 0.720 nan 8.210 nan 0.000 0.423 327 A N 4.715 127.466 122.820 -0.114 0.000 2.536 327 A HA 0.743 5.063 4.320 -0.000 0.000 0.293 327 A C -1.531 175.947 177.584 -0.177 0.000 1.119 327 A CA -0.553 51.379 52.037 -0.175 0.000 0.654 327 A CB 0.777 19.759 19.000 -0.031 0.000 1.291 327 A HN 0.395 nan 8.150 nan 0.000 0.439 328 F N 1.291 121.222 119.950 -0.033 0.000 2.444 328 F HA 0.472 4.999 4.527 0.000 0.000 0.331 328 F C 1.548 177.329 175.800 -0.031 0.000 1.167 328 F CA 0.488 58.498 58.000 0.018 0.000 1.262 328 F CB 0.662 39.756 39.000 0.156 0.000 1.196 328 F HN 0.531 nan 8.300 nan 0.000 0.583 329 R N 0.327 120.959 120.500 0.220 0.000 2.649 329 R HA 0.105 4.445 4.340 -0.000 0.000 0.270 329 R C -0.698 175.581 176.300 -0.035 0.000 1.105 329 R CA -0.832 55.318 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 0.794 121.173 120.400 -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 0.913 54.873 54.000 -0.066 0.000 0.876 330 D CB -0.025 40.764 40.800 -0.018 0.000 1.161 330 D HN 0.599 nan 8.370 nan 0.000 0.478 331 N N 2.765 121.390 118.700 -0.124 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 0.035 0.000 1.117 331 N CA 0.478 53.509 53.050 -0.032 0.000 0.719 331 N CB -1.532 37.032 38.487 0.129 0.000 1.081 331 N HN 0.542 nan 8.380 nan 0.000 0.557 332 F N -1.930 118.063 119.950 0.073 0.000 3.091 332 F HA -0.271 4.256 4.527 -0.000 0.000 0.288 332 F C 0.527 176.375 175.800 0.079 0.000 0.907 332 F CA 0.076 58.109 58.000 0.055 0.000 1.028 332 F CB -1.454 37.549 39.000 0.004 0.000 1.022 332 F HN 0.197 nan 8.300 nan 0.000 0.665 333 I N 0.825 121.513 120.570 0.196 0.000 2.775 333 I HA 0.107 4.277 4.170 -0.000 0.000 0.290 333 I C 1.558 177.788 176.117 0.187 0.000 1.203 333 I CA 1.582 62.985 61.300 0.172 0.000 1.433 333 I CB 0.339 38.410 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 0.313 45.478 45.100 0.109 0.000 0.618 334 G HN 0.567 nan 8.290 nan 0.000 0.516 335 L N 0.025 121.342 121.223 0.155 0.000 2.046 335 L HA 0.255 4.595 4.340 -0.000 0.000 0.208 335 L C 1.775 178.685 176.870 0.068 0.000 1.077 335 L CA 1.250 56.195 54.840 0.174 0.000 0.747 335 L CB -0.161 42.009 42.059 0.184 0.000 0.896 335 L HN 0.414 nan 8.230 nan 0.000 0.432 336 M N -1.959 117.600 119.600 -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 -0.507 54.591 55.300 -0.337 0.000 1.038 336 M CB 1.635 33.908 32.600 -0.545 0.000 1.641 336 M HN -0.198 nan 8.290 nan 0.000 0.455 337 Y N 1.642 121.772 120.300 -0.282 0.000 2.335 337 Y HA 0.291 4.841 4.550 -0.000 0.000 0.331 337 Y C -0.922 174.832 175.900 -0.244 0.000 1.094 337 Y CA 0.547 58.535 58.100 -0.186 0.000 1.253 337 Y CB 0.455 38.802 38.460 -0.187 0.000 1.203 337 Y HN 0.392 nan 8.280 nan 0.000 0.508 338 Y N 0.839 121.308 120.300 0.281 0.000 2.562 338 Y HA 0.230 4.780 4.550 -0.000 0.000 0.345 338 Y C -0.052 175.965 175.900 0.194 0.000 1.045 338 Y CA -2.178 56.073 58.100 0.253 0.000 1.028 338 Y CB 1.468 40.100 38.460 0.287 0.000 1.297 338 Y HN 0.643 nan 8.280 nan 0.000 0.463 339 N N 0.147 119.056 118.700 0.349 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 1.136 54.333 53.050 0.245 0.000 0.710 339 N CB -1.299 37.355 38.487 0.279 0.000 0.993 339 N HN 0.401 nan 8.380 nan 0.000 0.547 340 S N -0.585 115.178 115.700 0.104 0.000 2.652 340 S HA 0.237 4.707 4.470 -0.000 0.000 0.252 340 S C 1.396 175.970 174.600 -0.043 0.000 1.219 340 S CA -0.284 57.949 58.200 0.055 0.000 1.151 340 S CB 1.391 64.670 63.200 0.132 0.000 1.080 340 S HN 0.371 nan 8.310 nan 0.000 0.481 341 T N 0.124 114.653 114.554 -0.042 0.000 2.869 341 T HA -0.137 4.213 4.350 -0.000 0.000 0.270 341 T C 1.907 176.538 174.700 -0.115 0.000 1.082 341 T CA 1.561 63.614 62.100 -0.080 0.000 1.123 341 T CB -0.374 68.463 68.868 -0.052 0.000 0.856 341 T HN 0.624 nan 8.240 nan 0.000 0.499 342 G N 1.219 109.953 108.800 -0.111 0.000 2.511 342 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.217 342 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.217 342 G C 0.990 175.755 174.900 -0.225 0.000 1.133 342 G CA 0.007 45.027 45.100 -0.133 0.000 0.792 342 G HN 0.581 nan 8.290 nan 0.000 0.539 343 N N 0.127 118.638 118.700 -0.315 0.000 2.642 343 N HA 0.186 4.926 4.740 -0.000 0.000 0.308 343 N C -0.587 174.640 175.510 -0.471 0.000 1.914 343 N CA -0.203 52.556 53.050 -0.485 0.000 0.893 343 N CB 0.923 38.835 38.487 -0.958 0.000 1.322 343 N HN 0.214 nan 8.380 nan 0.000 0.490 344 M N 0.974 120.337 119.600 -0.395 0.000 2.228 344 M HA 0.216 4.696 4.480 -0.000 0.000 0.351 344 M C 0.924 176.800 176.300 -0.707 0.000 1.233 344 M CA -0.034 54.983 55.300 -0.473 0.000 1.129 344 M CB 0.667 33.068 32.600 -0.330 0.000 1.604 344 M HN 0.217 nan 8.290 nan 0.000 0.457 345 G N 3.029 111.129 108.800 -1.167 0.000 2.636 345 G HA2 0.464 4.424 3.960 -0.000 0.000 0.246 345 G HA3 0.464 4.424 3.960 -0.000 0.000 0.246 345 G C -1.209 173.253 174.900 -0.731 0.000 1.216 345 G CA -0.640 43.402 45.100 -1.763 0.000 0.854 345 G HN 0.642 nan 8.290 nan 0.000 0.572 346 V N 0.928 120.662 119.914 -0.301 0.000 2.623 346 V HA 0.501 4.621 4.120 -0.000 0.000 0.304 346 V C -0.892 175.392 176.094 0.316 0.000 1.054 346 V CA -0.616 61.694 62.300 0.017 0.000 0.882 346 V CB 1.636 33.456 31.823 -0.005 0.000 1.002 346 V HN 0.676 nan 8.190 nan 0.000 0.424 347 L N 4.817 126.197 121.223 0.263 0.000 2.504 347 L HA 0.950 5.290 4.340 -0.000 0.000 0.265 347 L C -0.398 176.586 176.870 0.190 0.000 0.975 347 L CA -0.054 54.945 54.840 0.265 0.000 0.864 347 L CB 1.279 43.450 42.059 0.186 0.000 1.212 347 L HN 0.859 nan 8.230 nan 0.000 0.416 348 A N 2.965 125.915 122.820 0.216 0.000 2.549 348 A HA 0.843 5.163 4.320 -0.000 0.000 0.297 348 A C -0.199 177.535 177.584 0.249 0.000 1.061 348 A CA -0.200 51.958 52.037 0.202 0.000 0.690 348 A CB 1.280 20.360 19.000 0.133 0.000 1.287 348 A HN 0.903 nan 8.150 nan 0.000 0.402 349 G N -0.167 108.769 108.800 0.226 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 0.401 175.303 174.900 0.004 0.000 1.263 349 G CA -0.080 45.059 45.100 0.065 0.000 0.846 349 G HN 0.842 nan 8.290 nan 0.000 0.555 350 Q N 1.373 121.131 119.800 -0.070 0.000 2.050 350 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 350 Q C 2.961 178.946 176.000 -0.025 0.000 0.980 350 Q CA 1.739 57.523 55.803 -0.031 0.000 0.840 350 Q CB -0.109 28.599 28.738 -0.049 0.000 0.898 350 Q HN 0.712 nan 8.270 nan 0.000 0.424 351 A N 0.058 122.851 122.820 -0.045 0.000 1.902 351 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 351 A C 2.141 179.724 177.584 -0.002 0.000 1.181 351 A CA 1.767 53.788 52.037 -0.027 0.000 0.623 351 A CB -0.741 18.236 19.000 -0.038 0.000 0.818 351 A HN 0.336 nan 8.150 nan 0.000 0.443 352 S N -1.455 114.254 115.700 0.014 0.000 2.368 352 S HA -0.230 4.240 4.470 -0.000 0.000 0.224 352 S C 1.384 176.010 174.600 0.043 0.000 1.029 352 S CA 1.773 59.998 58.200 0.042 0.000 0.988 352 S CB -0.300 62.944 63.200 0.073 0.000 0.838 352 S HN 0.637 nan 8.310 nan 0.000 0.462 353 Q N -1.136 118.688 119.800 0.041 0.000 2.177 353 Q HA -0.192 4.148 4.340 -0.000 0.000 0.174 353 Q C -0.049 175.979 176.000 0.047 0.000 0.609 353 Q CA 1.189 57.014 55.803 0.037 0.000 1.453 353 Q CB -1.499 27.252 28.738 0.022 0.000 1.591 353 Q HN 0.446 nan 8.270 nan 0.000 0.818 354 L N 2.204 123.464 121.223 0.061 0.000 2.367 354 L HA 0.261 4.601 4.340 -0.000 0.000 0.275 354 L C 0.250 177.171 176.870 0.085 0.000 1.129 354 L CA 0.599 55.480 54.840 0.069 0.000 0.839 354 L CB 0.783 42.891 42.059 0.080 0.000 1.133 354 L HN 0.259 nan 8.230 nan 0.000 0.453 355 N N 3.109 121.851 118.700 0.071 0.000 2.420 355 N HA 0.141 4.881 4.740 -0.000 0.000 0.262 355 N C 0.854 176.436 175.510 0.120 0.000 1.144 355 N CA 0.131 53.228 53.050 0.078 0.000 0.952 355 N CB 1.158 39.660 38.487 0.026 0.000 1.081 355 N HN 0.781 nan 8.380 nan 0.000 0.480 356 A N 3.725 126.637 122.820 0.153 0.000 2.119 356 A HA 0.041 4.361 4.320 -0.000 0.000 0.217 356 A C 0.620 178.387 177.584 0.305 0.000 1.153 356 A CA 0.450 52.614 52.037 0.211 0.000 0.692 356 A CB 0.205 19.301 19.000 0.161 0.000 0.799 356 A HN 0.463 nan 8.150 nan 0.000 0.458 357 V N 1.009 121.044 119.914 0.201 0.000 2.406 357 V HA 0.361 4.481 4.120 -0.000 0.000 0.272 357 V C -0.582 175.500 176.094 -0.020 0.000 1.043 357 V CA -0.186 62.206 62.300 0.152 0.000 0.915 357 V CB 1.249 33.062 31.823 -0.016 0.000 0.988 357 V HN 0.085 nan 8.190 nan 0.000 0.466 358 V N 4.460 124.288 119.914 -0.143 0.000 2.419 358 V HA 0.441 4.561 4.120 -0.000 0.000 0.287 358 V C -0.554 175.369 176.094 -0.285 0.000 1.017 358 V CA -0.548 61.524 62.300 -0.379 0.000 0.844 358 V CB 1.645 33.017 31.823 -0.751 0.000 1.011 358 V HN 0.824 nan 8.190 nan 0.000 0.429 359 D N 3.313 123.620 120.400 -0.154 0.000 2.326 359 D HA 0.770 5.410 4.640 -0.000 0.000 0.248 359 D C -0.859 175.465 176.300 0.039 0.000 1.001 359 D CA -0.268 53.744 54.000 0.019 0.000 0.961 359 D CB 2.245 43.005 40.800 -0.067 0.000 1.183 359 D HN 0.350 nan 8.370 nan 0.000 0.502 360 L N 1.018 122.321 121.223 0.134 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 0.131 0.000 0.998 360 L CA -0.667 54.238 54.840 0.108 0.000 0.817 360 L CB 2.219 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 -1.008 118.848 119.800 0.095 0.000 2.415 361 Q HA -0.046 4.294 4.340 -0.000 0.000 0.206 361 Q C 0.176 176.246 176.000 0.117 0.000 0.946 361 Q CA 0.511 56.376 55.803 0.102 0.000 0.951 361 Q CB 0.212 28.985 28.738 0.059 0.000 1.026 361 Q HN 0.597 nan 8.270 nan 0.000 0.510 362 D N 0.836 121.311 120.400 0.124 0.000 2.354 362 D HA 0.038 4.678 4.640 -0.000 0.000 0.209 362 D C -0.038 176.360 176.300 0.164 0.000 1.015 362 D CA 0.063 54.140 54.000 0.129 0.000 0.867 362 D CB 0.404 41.270 40.800 0.110 0.000 0.933 362 D HN 0.222 nan 8.370 nan 0.000 0.520 363 R N 0.311 120.924 120.500 0.188 0.000 2.573 363 R HA 0.302 4.642 4.340 -0.000 0.000 0.272 363 R C -0.712 175.715 176.300 0.211 0.000 1.009 363 R CA -0.518 55.701 56.100 0.199 0.000 1.059 363 R CB 0.682 31.137 30.300 0.258 0.000 1.112 363 R HN -0.202 nan 8.270 nan 0.000 0.517 364 N N 1.255 120.049 118.700 0.156 0.000 2.746 364 N HA 0.127 4.867 4.740 -0.000 0.000 0.250 364 N C -0.375 175.175 175.510 0.067 0.000 1.146 364 N CA -0.190 52.922 53.050 0.103 0.000 0.828 364 N CB 1.427 39.901 38.487 -0.022 0.000 1.158 364 N HN 0.573 nan 8.380 nan 0.000 0.519 365 T N 0.913 115.524 114.554 0.096 0.000 2.746 365 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 365 T C 1.353 176.005 174.700 -0.080 0.000 1.039 365 T CA 1.118 63.211 62.100 -0.010 0.000 1.142 365 T CB 0.207 68.984 68.868 -0.150 0.000 0.866 365 T HN 0.443 nan 8.240 nan 0.000 0.444 366 E N 0.870 121.039 120.200 -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 0.830 57.226 56.400 -0.007 0.000 0.799 366 E CB -0.486 29.251 29.700 0.062 0.000 0.748 366 E HN 0.300 nan 8.360 nan 0.000 0.449 367 L N 1.085 122.286 121.223 -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 -0.023 0.000 1.085 367 L CA 1.673 56.473 54.840 -0.065 0.000 0.755 367 L CB -0.689 41.312 42.059 -0.097 0.000 0.904 367 L HN -0.018 nan 8.230 nan 0.000 0.435 368 S N -1.684 114.027 115.700 0.018 0.000 2.383 368 S HA -0.304 4.166 4.470 -0.000 0.000 0.229 368 S C 2.110 176.743 174.600 0.056 0.000 1.030 368 S CA 1.604 59.843 58.200 0.066 0.000 1.002 368 S CB -0.597 62.639 63.200 0.061 0.000 0.829 368 S HN 0.650 nan 8.310 nan 0.000 0.467 369 Y N 1.393 121.642 120.300 -0.085 0.000 2.314 369 Y HA -0.013 4.537 4.550 -0.000 0.000 0.293 369 Y C 2.570 178.402 175.900 -0.114 0.000 1.129 369 Y CA 1.507 59.539 58.100 -0.113 0.000 1.201 369 Y CB -0.144 38.243 38.460 -0.122 0.000 0.999 369 Y HN 0.266 nan 8.280 nan 0.000 0.541 370 Q N 0.252 120.041 119.800 -0.018 0.000 2.046 370 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 370 Q C 2.342 178.262 176.000 -0.133 0.000 0.975 370 Q CA 1.678 57.438 55.803 -0.071 0.000 0.836 370 Q CB -0.512 28.156 28.738 -0.117 0.000 0.896 370 Q HN 0.541 nan 8.270 nan 0.000 0.428 371 L N 0.267 121.380 121.223 -0.184 0.000 2.141 371 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 371 L C 2.414 179.032 176.870 -0.420 0.000 1.094 371 L CA 0.368 55.118 54.840 -0.150 0.000 0.763 371 L CB -0.492 41.585 42.059 0.031 0.000 0.908 371 L HN 0.184 nan 8.230 nan 0.000 0.437 372 L N 0.175 120.992 121.223 -0.677 0.000 2.017 372 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 372 L C 2.354 178.867 176.870 -0.596 0.000 1.073 372 L CA 1.730 55.960 54.840 -1.017 0.000 0.745 372 L CB -0.392 41.252 42.059 -0.691 0.000 0.894 372 L HN 0.090 nan 8.230 nan 0.000 0.432 373 L N -0.456 120.483 121.223 -0.474 0.000 2.083 373 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 373 L C 2.282 179.058 176.870 -0.156 0.000 1.083 373 L CA 1.627 56.280 54.840 -0.310 0.000 0.752 373 L CB -0.759 41.132 42.059 -0.280 0.000 0.899 373 L HN 0.397 nan 8.230 nan 0.000 0.433 374 D N -0.367 119.984 120.400 -0.081 0.000 2.178 374 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 374 D C 2.235 178.522 176.300 -0.022 0.000 0.980 374 D CA 1.358 55.363 54.000 0.008 0.000 0.842 374 D CB 0.167 41.092 40.800 0.209 0.000 0.948 374 D HN 0.299 nan 8.370 nan 0.000 0.472 375 S N -0.289 115.354 115.700 -0.095 0.000 2.470 375 S HA -0.072 4.398 4.470 -0.000 0.000 0.225 375 S C 1.940 176.518 174.600 -0.036 0.000 1.006 375 S CA 0.546 58.721 58.200 -0.041 0.000 0.934 375 S CB -0.624 62.544 63.200 -0.053 0.000 0.778 375 S HN 0.546 nan 8.310 nan 0.000 0.517 376 I N -2.034 118.483 120.570 -0.088 0.000 3.941 376 I HA 0.653 4.823 4.170 -0.000 0.000 0.335 376 I C 0.614 176.709 176.117 -0.037 0.000 1.402 376 I CA -0.453 60.814 61.300 -0.054 0.000 1.112 376 I CB 0.176 38.130 38.000 -0.077 0.000 1.043 376 I HN 0.325 nan 8.210 nan 0.000 0.395 377 G N 0.524 109.304 108.800 -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 -0.020 0.000 1.339 377 G CA -0.463 44.623 45.100 -0.022 0.000 0.803 377 G HN 0.023 nan 8.290 nan 0.000 0.482 378 D N -0.174 120.213 120.400 -0.021 0.000 2.468 378 D HA 0.274 4.914 4.640 -0.000 0.000 0.218 378 D C 1.360 177.644 176.300 -0.027 0.000 1.155 378 D CA -0.666 53.316 54.000 -0.030 0.000 0.924 378 D CB 1.265 42.042 40.800 -0.038 0.000 1.029 378 D HN 0.272 nan 8.370 nan 0.000 0.515 379 R N 1.299 121.777 120.500 -0.036 0.000 2.377 379 R HA -0.072 4.268 4.340 -0.000 0.000 0.207 379 R C 1.803 178.099 176.300 -0.006 0.000 1.075 379 R CA 1.160 57.248 56.100 -0.019 0.000 1.035 379 R CB -0.603 29.658 30.300 -0.064 0.000 0.857 379 R HN 0.447 nan 8.270 nan 0.000 0.475 380 T N -2.852 111.675 114.554 -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 -0.158 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 1.136 121.581 120.500 -0.092 0.000 2.410 381 R HA 0.395 4.735 4.340 -0.000 0.000 0.288 381 R C -0.957 175.397 176.300 0.089 0.000 1.051 381 R CA -0.504 55.520 56.100 -0.128 0.000 1.021 381 R CB 0.526 30.782 30.300 -0.072 0.000 1.032 381 R HN 0.278 nan 8.270 nan 0.000 0.481 382 Y N 1.779 122.004 120.300 -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 0.074 0.000 1.166 382 Y CA -1.384 56.631 58.100 -0.142 0.000 1.182 382 Y CB 0.928 39.054 38.460 -0.555 0.000 1.216 382 Y HN 0.461 nan 8.280 nan 0.000 0.474 383 F N 2.256 122.280 119.950 0.124 0.000 2.828 383 F HA 0.191 4.718 4.527 -0.000 0.000 0.355 383 F C 0.875 176.720 175.800 0.075 0.000 1.200 383 F CA -0.599 57.448 58.000 0.079 0.000 1.062 383 F CB 1.442 40.488 39.000 0.076 0.000 1.351 383 F HN 0.562 nan 8.300 nan 0.000 0.504 384 S N 4.922 120.762 115.700 0.234 0.000 2.400 384 S HA -0.261 4.209 4.470 -0.000 0.000 0.232 384 S C 1.954 176.350 174.600 -0.339 0.000 1.025 384 S CA 1.351 59.560 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 -0.021 119.058 119.600 -0.868 0.000 2.082 385 M HA -0.069 4.411 4.480 -0.000 0.000 0.258 385 M C 1.147 176.968 176.300 -0.798 0.000 1.069 385 M CA 1.849 56.493 55.300 -1.094 0.000 1.102 385 M CB -0.215 31.340 32.600 -1.742 0.000 1.336 385 M HN 0.552 nan 8.290 nan 0.000 0.404 386 W N -0.362 120.558 121.300 -0.633 0.000 3.316 386 W HA 0.225 4.885 4.660 -0.000 0.000 0.327 386 W C 0.439 176.723 176.519 -0.392 0.000 1.232 386 W CA -0.671 56.526 57.345 -0.247 0.000 1.805 386 W CB -0.111 29.241 29.460 -0.179 0.000 1.090 386 W HN 0.359 nan 8.180 nan 0.000 0.654 387 N N 1.421 119.952 118.700 -0.282 0.000 2.754 387 N HA -0.259 4.481 4.740 -0.000 0.000 0.248 387 N C -0.033 175.340 175.510 -0.228 0.000 1.093 387 N CA 0.692 53.476 53.050 -0.444 0.000 0.699 387 N CB -1.108 36.599 38.487 -1.300 0.000 1.016 387 N HN 0.335 nan 8.380 nan 0.000 0.552 388 Q N 0.267 120.041 119.800 -0.043 0.000 2.534 388 Q HA 0.495 4.835 4.340 -0.000 0.000 0.223 388 Q C -0.863 175.141 176.000 0.007 0.000 1.239 388 Q CA 0.260 56.105 55.803 0.069 0.000 0.936 388 Q CB 0.081 28.977 28.738 0.263 0.000 1.457 388 Q HN 0.409 nan 8.270 nan 0.000 0.547 389 A N 3.954 126.694 122.820 -0.134 0.000 2.679 389 A HA 0.270 4.590 4.320 -0.000 0.000 0.288 389 A C -0.882 176.580 177.584 -0.204 0.000 1.160 389 A CA -0.572 51.199 52.037 -0.445 0.000 0.763 389 A CB 1.116 19.600 19.000 -0.861 0.000 1.270 389 A HN 0.510 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 0.050 4.170 4.120 -0.000 0.000 0.307 390 V C 0.085 176.198 176.094 0.032 0.000 1.069 390 V CA 0.296 62.611 62.300 0.025 0.000 1.173 390 V CB 0.500 32.355 31.823 0.053 0.000 0.925 390 V HN 0.813 nan 8.190 nan 0.000 0.492 391 D N 4.370 124.790 120.400 0.033 0.000 2.389 391 D HA 0.392 5.032 4.640 -0.000 0.000 0.247 391 D C 0.032 176.477 176.300 0.242 0.000 1.128 391 D CA 0.509 54.573 54.000 0.107 0.000 0.884 391 D CB 1.357 42.167 40.800 0.017 0.000 1.194 391 D HN 0.831 nan 8.370 nan 0.000 0.441 392 S N 1.031 116.924 115.700 0.321 0.000 2.688 392 S HA 0.725 5.195 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 -0.991 57.323 58.200 0.189 0.000 0.818 392 S CB 1.595 64.794 63.200 -0.002 0.000 1.157 392 S HN 0.546 nan 8.310 nan 0.000 0.482 393 Y N -1.094 119.127 120.300 -0.133 0.000 2.644 393 Y HA 0.744 5.294 4.550 -0.000 0.000 0.338 393 Y C -1.088 174.677 175.900 -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 2.064 122.479 120.400 0.024 0.000 2.343 394 D HA 0.240 4.880 4.640 -0.000 0.000 0.255 394 D C -1.907 174.466 176.300 0.122 0.000 1.187 394 D CA -2.293 51.719 54.000 0.019 0.000 0.875 394 D CB 1.736 42.512 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 0.509 177.855 177.300 0.076 0.000 1.150 395 P CA 0.884 64.057 63.100 0.123 0.000 0.837 395 P CB 0.325 32.056 31.700 0.051 0.000 0.786 396 D N -1.451 119.004 120.400 0.091 0.000 2.348 396 D HA -0.037 4.603 4.640 -0.000 0.000 0.216 396 D C 1.716 178.127 176.300 0.186 0.000 0.970 396 D CA 0.697 54.783 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 0.428 120.372 119.914 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 -0.038 31.555 31.823 -0.383 0.000 0.725 397 V HN -0.028 nan 8.190 nan 0.000 0.467 398 R N 0.740 121.067 120.500 -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 -0.236 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 -0.656 0.000 0.858 398 R HN 0.455 nan 8.270 nan 0.000 0.435 399 I N 1.596 122.098 120.570 -0.114 0.000 2.411 399 I HA 0.270 4.440 4.170 -0.000 0.000 0.284 399 I C -0.625 175.511 176.117 0.032 0.000 1.012 399 I CA -0.761 60.501 61.300 -0.064 0.000 1.119 399 I CB 1.953 39.920 38.000 -0.055 0.000 1.261 399 I HN -0.021 nan 8.210 nan 0.000 0.448 400 I N 5.882 126.495 120.570 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 0.307 61.708 61.300 0.169 0.000 1.402 400 I CB 0.395 38.506 38.000 0.185 0.000 1.399 400 I HN 0.616 nan 8.210 nan 0.000 0.535 401 E N 6.687 126.996 120.200 0.182 0.000 2.173 401 E HA 0.109 4.459 4.350 -0.000 0.000 0.249 401 E C -0.671 175.952 176.600 0.038 0.000 0.923 401 E CA -0.505 55.964 56.400 0.115 0.000 0.754 401 E CB 0.588 30.342 29.700 0.090 0.000 1.177 401 E HN 0.430 nan 8.360 nan 0.000 0.430 402 N N 2.860 121.625 118.700 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 0.068 0.000 0.981 402 N CB 0.086 38.739 38.487 0.277 0.000 1.290 402 N HN 0.500 nan 8.380 nan 0.000 0.513 403 H N 1.225 120.206 119.070 -0.147 0.000 2.538 403 H HA 0.439 4.995 4.556 -0.000 0.000 0.286 403 H C 1.259 176.472 175.328 -0.191 0.000 1.035 403 H CA -0.165 55.798 56.048 -0.142 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 -0.159 174.537 174.900 -0.340 0.000 1.286 404 G CA -0.015 44.968 45.100 -0.195 0.000 0.904 404 G HN 1.091 nan 8.290 nan 0.000 0.577 405 T N -2.518 111.944 114.554 -0.152 0.000 2.909 405 T HA 0.692 5.042 4.350 -0.000 0.000 0.299 405 T C -0.579 174.084 174.700 -0.062 0.000 1.073 405 T CA -0.216 61.806 62.100 -0.130 0.000 0.999 405 T CB 2.322 71.155 68.868 -0.058 0.000 1.098 405 T HN 0.692 nan 8.240 nan 0.000 0.477 406 E N 2.263 122.428 120.200 -0.059 0.000 1.932 406 E HA 0.186 4.536 4.350 -0.000 0.000 0.259 406 E C -0.328 176.247 176.600 -0.043 0.000 1.099 406 E CA -0.479 55.892 56.400 -0.048 0.000 0.970 406 E CB 0.121 29.789 29.700 -0.053 0.000 1.143 406 E HN 0.699 nan 8.360 nan 0.000 0.441 407 D N 1.371 121.748 120.400 -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 -0.050 0.000 1.257 407 D CA -0.251 53.722 54.000 -0.046 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 -0.042 0.000 2.058 408 E HA -0.002 4.348 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 57.223 56.400 -0.036 0.000 0.801 408 E CB 0.071 29.754 29.700 -0.029 0.000 0.746 408 E HN 0.423 nan 8.360 nan 0.000 0.450 409 L N 2.485 123.680 121.223 -0.047 0.000 2.326 409 L HA 0.285 4.625 4.340 -0.000 0.000 0.278 409 L C -1.968 174.834 176.870 -0.112 0.000 1.092 409 L CA -2.078 52.730 54.840 -0.053 0.000 0.810 409 L CB 0.594 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 -1.476 175.494 177.300 -0.549 0.000 1.240 410 P CA -0.535 62.340 63.100 -0.375 0.000 0.798 410 P CB 0.842 32.292 31.700 -0.416 0.000 0.979 411 N N 1.154 119.479 118.700 -0.625 0.000 2.372 411 N HA 0.413 5.153 4.740 -0.000 0.000 0.285 411 N C -1.000 174.133 175.510 -0.628 0.000 1.008 411 N CA -0.476 52.285 53.050 -0.481 0.000 0.880 411 N CB 1.067 39.410 38.487 -0.240 0.000 1.239 411 N HN 0.407 nan 8.380 nan 0.000 0.484 412 Y N -0.129 120.055 120.300 -0.194 0.000 2.602 412 Y HA 0.641 5.191 4.550 -0.000 0.000 0.342 412 Y C 0.174 175.715 175.900 -0.599 0.000 1.029 412 Y CA -1.243 56.581 58.100 -0.460 0.000 1.080 412 Y CB 1.183 39.209 38.460 -0.723 0.000 1.284 412 Y HN 0.481 nan 8.280 nan 0.000 0.485 413 C N -0.112 118.864 119.300 -0.540 0.000 2.507 413 C HA 0.897 5.357 4.460 -0.000 0.000 0.319 413 C C -0.976 173.601 174.990 -0.689 0.000 1.208 413 C CA -1.137 57.632 59.018 -0.417 0.000 1.619 413 C CB -0.408 27.226 27.740 -0.176 0.000 2.230 413 C HN 0.631 nan 8.230 nan 0.000 0.492 414 F N 0.202 120.141 119.950 -0.018 0.000 2.639 414 F HA 0.755 5.282 4.527 -0.000 0.000 0.339 414 F C -2.033 173.763 175.800 -0.005 0.000 1.071 414 F CA -2.324 55.654 58.000 -0.037 0.000 0.994 414 F CB 0.240 39.209 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 0.724 178.033 177.300 0.014 0.000 1.215 415 P CA -0.082 63.105 63.100 0.144 0.000 0.780 415 P CB 0.623 32.414 31.700 0.152 0.000 0.898 416 L N 1.120 122.328 121.223 -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 1.910 56.653 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 -0.865 107.460 108.800 -0.791 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 1.303 175.723 174.900 -0.800 0.000 1.146 417 G CA 0.922 45.025 45.100 -1.663 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 -0.371 0.000 2.192 418 G HA2 0.095 4.055 3.960 -0.000 0.000 0.193 418 G HA3 0.095 4.055 3.960 -0.000 0.000 0.193 418 G C 0.002 174.840 174.900 -0.104 0.000 0.999 418 G CA 0.345 45.314 45.100 -0.218 0.000 0.659 418 G HN 1.565 nan 8.290 nan 0.000 0.503 419 V N -0.525 119.356 119.914 -0.055 0.000 3.121 419 V HA 0.625 4.745 4.120 -0.000 0.000 0.263 419 V C -0.298 175.853 176.094 0.095 0.000 1.795 419 V CA 0.164 62.490 62.300 0.044 0.000 0.979 419 V CB 1.762 33.605 31.823 0.032 0.000 1.335 419 V HN 0.651 nan 8.190 nan 0.000 0.462 420 I N 1.964 122.605 120.570 0.119 0.000 4.922 420 I HA 0.359 4.529 4.170 -0.000 0.000 0.331 420 I C 0.296 176.449 176.117 0.061 0.000 1.260 420 I CA 0.055 61.424 61.300 0.116 0.000 1.366 420 I CB 0.760 38.827 38.000 0.111 0.000 1.386 420 I HN 0.677 nan 8.210 nan 0.000 0.483 421 N N 3.295 122.018 118.700 0.038 0.000 3.250 421 N HA 0.120 4.860 4.740 -0.000 0.000 0.307 421 N C -0.164 175.359 175.510 0.022 0.000 1.355 421 N CA 0.206 53.260 53.050 0.007 0.000 1.192 421 N CB 0.007 38.487 38.487 -0.013 0.000 1.478 421 N HN 0.366 nan 8.380 nan 0.000 0.543 422 T N -1.647 112.926 114.554 0.032 0.000 2.899 422 T HA 0.303 4.653 4.350 -0.000 0.000 0.295 422 T C 0.312 175.019 174.700 0.011 0.000 1.033 422 T CA -0.739 61.376 62.100 0.026 0.000 1.084 422 T CB 1.538 70.427 68.868 0.035 0.000 0.979 422 T HN 0.383 nan 8.240 nan 0.000 0.532 423 E N 0.837 121.040 120.200 0.005 0.000 2.212 423 E HA 0.414 4.764 4.350 -0.000 0.000 0.268 423 E C -1.140 175.457 176.600 -0.006 0.000 0.902 423 E CA -1.028 55.372 56.400 -0.001 0.000 0.779 423 E CB 1.346 31.045 29.700 -0.002 0.000 1.172 423 E HN 0.514 nan 8.360 nan 0.000 0.409 424 T N 3.966 118.515 114.554 -0.008 0.000 2.779 424 T HA 0.296 4.646 4.350 -0.000 0.000 0.296 424 T C 0.018 174.713 174.700 -0.009 0.000 0.938 424 T CA -0.119 61.975 62.100 -0.011 0.000 1.119 424 T CB -0.050 68.811 68.868 -0.012 0.000 0.891 424 T HN 0.316 nan 8.240 nan 0.000 0.526 425 L N 2.252 123.469 121.223 -0.010 0.000 2.283 425 L HA 0.649 4.989 4.340 -0.000 0.000 0.259 425 L C 0.238 177.111 176.870 0.004 0.000 1.027 425 L CA -1.105 53.731 54.840 -0.006 0.000 0.828 425 L CB 2.260 44.312 42.059 -0.012 0.000 1.380 425 L HN 0.465 nan 8.230 nan 0.000 0.425 426 T N 0.458 115.019 114.554 0.012 0.000 2.841 426 T HA 0.275 4.625 4.350 -0.000 0.000 0.283 426 T C -0.246 174.483 174.700 0.049 0.000 1.000 426 T CA -0.673 61.447 62.100 0.033 0.000 0.977 426 T CB 1.786 70.670 68.868 0.028 0.000 0.979 426 T HN 0.255 nan 8.240 nan 0.000 0.446 427 K N 2.174 122.637 120.400 0.105 0.000 2.469 427 K HA 0.322 4.642 4.320 -0.000 0.000 0.274 427 K C -0.708 175.918 176.600 0.043 0.000 0.983 427 K CA 0.136 56.503 56.287 0.133 0.000 0.974 427 K CB 0.468 33.127 32.500 0.265 0.000 0.913 427 K HN 0.388 nan 8.250 nan 0.000 0.493 428 V N 3.595 123.509 119.914 0.000 0.000 2.971 428 V HA 0.414 4.534 4.120 -0.000 0.000 0.309 428 V C -0.687 175.408 176.094 0.001 0.000 1.130 428 V CA -0.911 61.385 62.300 -0.007 0.000 0.964 428 V CB 2.477 34.262 31.823 -0.064 0.000 1.029 428 V HN 0.701 nan 8.190 nan 0.000 0.427 429 K N 4.007 124.455 120.400 0.080 0.000 2.426 429 K HA 0.613 4.933 4.320 -0.000 0.000 0.251 429 K C -2.798 173.970 176.600 0.279 0.000 0.941 429 K CA -1.720 54.636 56.287 0.116 0.000 0.808 429 K CB 2.925 35.449 32.500 0.041 0.000 1.265 429 K HN 0.383 nan 8.250 nan 0.000 0.432 430 P HA 0.161 nan 4.420 nan 0.000 0.282 430 P C -1.299 176.036 177.300 0.058 0.000 1.287 430 P CA -0.386 62.872 63.100 0.263 0.000 0.792 430 P CB 0.458 32.301 31.700 0.239 0.000 1.163 431 K N -1.508 118.861 120.400 -0.051 0.000 6.365 431 K HA -0.099 4.221 4.320 -0.000 0.000 0.786 431 K C 0.112 176.684 176.600 -0.047 0.000 2.401 431 K CA 0.583 56.838 56.287 -0.053 0.000 1.752 431 K CB -2.055 30.434 32.500 -0.018 0.000 2.498 431 K HN 0.831 nan 8.250 nan 0.000 0.213 432 T N -0.329 114.185 114.554 -0.067 0.000 6.178 432 T HA -0.107 4.243 4.350 -0.000 0.000 0.277 432 T C 0.873 175.532 174.700 -0.069 0.000 2.183 432 T CA 1.279 63.350 62.100 -0.049 0.000 3.733 432 T CB -1.222 67.634 68.868 -0.020 0.000 0.719 432 T HN 0.970 nan 8.240 nan 0.000 0.455 433 G N 2.299 111.032 108.800 -0.111 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 0.250 175.031 174.900 -0.198 0.000 1.173 433 G CA -0.131 44.888 45.100 -0.134 0.000 0.835 433 G HN 0.674 nan 8.290 nan 0.000 0.534 434 Q N 0.409 120.102 119.800 -0.180 0.000 2.454 434 Q HA 0.238 4.578 4.340 -0.000 0.000 0.247 434 Q C -0.503 175.422 176.000 -0.125 0.000 1.028 434 Q CA -0.144 55.552 55.803 -0.178 0.000 0.910 434 Q CB 1.156 29.810 28.738 -0.139 0.000 1.276 434 Q HN 0.272 nan 8.270 nan 0.000 0.489 435 E N 1.911 122.042 120.200 -0.116 0.000 2.417 435 E HA -0.060 4.290 4.350 -0.000 0.000 0.261 435 E C -0.642 175.827 176.600 -0.219 0.000 1.000 435 E CA -0.164 56.154 56.400 -0.137 0.000 0.919 435 E CB 0.132 29.774 29.700 -0.096 0.000 0.955 435 E HN 0.468 nan 8.360 nan 0.000 0.455 436 N N 1.508 120.029 118.700 -0.298 0.000 2.681 436 N HA -0.140 4.600 4.740 -0.000 0.000 0.259 436 N C -0.600 174.423 175.510 -0.813 0.000 1.066 436 N CA 1.117 53.844 53.050 -0.538 0.000 0.717 436 N CB -1.296 36.947 38.487 -0.408 0.000 0.885 436 N HN 0.647 nan 8.380 nan 0.000 0.547 437 G N -0.740 107.640 108.800 -0.701 0.000 2.452 437 G HA2 0.654 4.614 3.960 -0.000 0.000 0.324 437 G HA3 0.654 4.614 3.960 -0.000 0.000 0.324 437 G C -0.675 173.884 174.900 -0.568 0.000 1.214 437 G CA -0.631 44.139 45.100 -0.551 0.000 0.947 437 G HN 0.192 nan 8.290 nan 0.000 0.478 438 W N 0.760 122.058 121.300 -0.003 0.000 2.736 438 W HA 0.543 5.203 4.660 -0.000 0.000 0.335 438 W C -0.073 176.443 176.519 -0.004 0.000 1.059 438 W CA -0.649 56.694 57.345 -0.004 0.000 1.226 438 W CB 2.164 31.623 29.460 -0.001 0.000 1.416 438 W HN 0.490 nan 8.180 nan 0.000 0.505 439 E N 0.804 121.133 120.200 0.214 0.000 2.359 439 E HA 0.305 4.655 4.350 -0.000 0.000 0.266 439 E C -0.571 176.086 176.600 0.094 0.000 0.920 439 E CA -1.055 55.415 56.400 0.118 0.000 0.788 439 E CB 2.769 32.508 29.700 0.066 0.000 1.279 439 E HN 0.120 nan 8.360 nan 0.000 0.438 440 K N 1.083 121.521 120.400 0.063 0.000 2.319 440 K HA 0.040 4.360 4.320 -0.000 0.000 0.265 440 K C -0.369 176.248 176.600 0.028 0.000 1.000 440 K CA -0.012 56.303 56.287 0.045 0.000 0.943 440 K CB 0.363 32.885 32.500 0.038 0.000 0.950 440 K HN 0.353 nan 8.250 nan 0.000 0.485 441 D N 0.641 121.051 120.400 0.016 0.000 2.210 441 D HA 0.178 4.818 4.640 -0.000 0.000 0.249 441 D C 0.184 176.483 176.300 -0.001 0.000 1.078 441 D CA -0.127 53.864 54.000 -0.015 0.000 0.875 441 D CB 1.767 42.526 40.800 -0.068 0.000 1.175 441 D HN 0.540 nan 8.370 nan 0.000 0.440 442 A N 2.344 125.157 122.820 -0.012 0.000 1.984 442 A HA -0.034 4.286 4.320 -0.000 0.000 0.214 442 A C 1.463 179.049 177.584 0.004 0.000 1.173 442 A CA 0.895 52.933 52.037 0.001 0.000 0.673 442 A CB -0.318 18.682 19.000 -0.001 0.000 0.830 442 A HN 0.611 nan 8.150 nan 0.000 0.453 443 T N 0.029 114.568 114.554 -0.025 0.000 3.500 443 T HA 0.231 4.581 4.350 -0.000 0.000 0.244 443 T C 0.063 174.782 174.700 0.033 0.000 0.962 443 T CA -0.273 61.816 62.100 -0.018 0.000 0.932 443 T CB -0.828 68.000 68.868 -0.065 0.000 1.096 443 T HN 0.504 nan 8.240 nan 0.000 0.617 444 E N 0.593 120.851 120.200 0.096 0.000 2.458 444 E HA 0.142 4.492 4.350 -0.000 0.000 0.264 444 E C -0.543 176.244 176.600 0.312 0.000 1.097 444 E CA -0.057 56.498 56.400 0.258 0.000 0.973 444 E CB 0.037 29.835 29.700 0.162 0.000 0.963 444 E HN 0.419 nan 8.360 nan 0.000 0.451 445 F N 0.183 120.128 119.950 -0.008 0.000 2.744 445 F HA -0.226 4.301 4.527 -0.000 0.000 0.377 445 F C 0.512 176.306 175.800 -0.011 0.000 1.069 445 F CA 0.561 58.555 58.000 -0.010 0.000 1.211 445 F CB -2.052 36.944 39.000 -0.007 0.000 1.606 445 F HN 0.379 nan 8.300 nan 0.000 0.781 446 S N 0.390 116.118 115.700 0.047 0.000 2.599 446 S HA -0.005 4.465 4.470 -0.000 0.000 0.303 446 S C 1.352 175.971 174.600 0.032 0.000 1.267 446 S CA 0.023 58.237 58.200 0.024 0.000 1.055 446 S CB 0.777 63.964 63.200 -0.022 0.000 0.790 446 S HN 0.545 nan 8.310 nan 0.000 0.500 447 D N 1.587 122.008 120.400 0.035 0.000 2.403 447 D HA -0.115 4.525 4.640 -0.000 0.000 0.227 447 D C -0.042 176.264 176.300 0.011 0.000 0.995 447 D CA 0.736 54.756 54.000 0.032 0.000 0.928 447 D CB -0.216 40.600 40.800 0.027 0.000 0.887 447 D HN 0.672 nan 8.370 nan 0.000 0.529 448 K N 0.770 121.166 120.400 -0.007 0.000 2.530 448 K HA 0.292 4.612 4.320 -0.000 0.000 0.230 448 K C -0.885 175.689 176.600 -0.043 0.000 1.002 448 K CA -0.642 55.632 56.287 -0.022 0.000 1.014 448 K CB 0.945 33.429 32.500 -0.026 0.000 1.286 448 K HN -0.104 nan 8.250 nan 0.000 0.480 449 N N 2.032 120.707 118.700 -0.042 0.000 2.314 449 N HA 0.206 4.946 4.740 -0.000 0.000 0.294 449 N C -1.030 174.454 175.510 -0.045 0.000 1.029 449 N CA -0.732 52.279 53.050 -0.063 0.000 0.845 449 N CB 1.851 40.290 38.487 -0.079 0.000 1.321 449 N HN 0.315 nan 8.380 nan 0.000 0.481 450 E N 1.436 121.609 120.200 -0.045 0.000 2.105 450 E HA 0.421 4.771 4.350 -0.000 0.000 0.285 450 E C -0.359 176.234 176.600 -0.012 0.000 1.055 450 E CA 0.042 56.429 56.400 -0.021 0.000 0.843 450 E CB 0.678 30.372 29.700 -0.010 0.000 1.067 450 E HN 0.405 nan 8.360 nan 0.000 0.398 451 I N 2.696 123.261 120.570 -0.008 0.000 2.498 451 I HA 0.384 4.554 4.170 -0.000 0.000 0.290 451 I C -0.280 175.839 176.117 0.003 0.000 1.032 451 I CA -1.274 60.023 61.300 -0.005 0.000 1.073 451 I CB 1.812 39.804 38.000 -0.013 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 0.009 0.000 2.297 452 R HA 0.539 4.879 4.340 -0.000 0.000 0.308 452 R C -1.615 174.689 176.300 0.007 0.000 1.029 452 R CA -0.285 55.824 56.100 0.014 0.000 0.929 452 R CB 1.134 31.449 30.300 0.025 0.000 1.046 452 R HN 0.407 nan 8.270 nan 0.000 0.461 453 V N 5.531 125.449 119.914 0.007 0.000 2.347 453 V HA 0.792 4.912 4.120 -0.000 0.000 0.280 453 V C 0.733 176.833 176.094 0.009 0.000 1.021 453 V CA 0.488 62.790 62.300 0.003 0.000 0.847 453 V CB 0.420 32.242 31.823 -0.001 0.000 0.990 453 V HN 1.066 nan 8.190 nan 0.000 0.444 454 G N 5.098 113.902 108.800 0.006 0.000 2.483 454 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.521 454 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.521 454 G C -0.700 174.206 174.900 0.010 0.000 1.278 454 G CA -0.822 44.284 45.100 0.010 0.000 0.965 454 G HN 0.582 nan 8.290 nan 0.000 0.504 455 N N 0.959 119.666 118.700 0.012 0.000 2.424 455 N HA 0.327 5.067 4.740 -0.000 0.000 0.257 455 N C 0.839 176.372 175.510 0.038 0.000 1.250 455 N CA 0.325 53.379 53.050 0.006 0.000 0.946 455 N CB 0.291 38.773 38.487 -0.009 0.000 1.175 455 N HN 0.908 nan 8.380 nan 0.000 0.477 456 N N -0.430 118.294 118.700 0.040 0.000 2.317 456 N HA 0.065 4.805 4.740 -0.000 0.000 0.245 456 N C -0.605 175.012 175.510 0.178 0.000 1.294 456 N CA -0.283 52.829 53.050 0.103 0.000 0.924 456 N CB 0.144 38.681 38.487 0.083 0.000 1.186 456 N HN 0.403 nan 8.380 nan 0.000 0.495 457 F N -0.335 119.657 119.950 0.069 0.000 2.438 457 F HA 0.568 5.095 4.527 -0.000 0.000 0.356 457 F C -0.211 175.628 175.800 0.065 0.000 1.099 457 F CA -0.876 57.157 58.000 0.053 0.000 1.185 457 F CB -0.102 38.926 39.000 0.047 0.000 1.115 457 F HN 0.720 nan 8.300 nan 0.000 0.526 458 A N 7.533 129.944 122.820 -0.682 0.000 2.475 458 A HA 0.826 5.146 4.320 -0.000 0.000 0.301 458 A C -1.236 175.915 177.584 -0.721 0.000 1.059 458 A CA -0.885 50.749 52.037 -0.671 0.000 0.710 458 A CB 1.530 20.220 19.000 -0.517 0.000 1.288 458 A HN 0.661 nan 8.150 nan 0.000 0.408 459 M N 1.344 120.630 119.600 -0.524 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 -0.301 0.000 0.934 459 M CB 1.662 34.117 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 0.782 5.132 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 -0.635 55.701 56.400 -0.108 0.000 0.799 460 E CB 2.573 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 3.058 123.508 120.570 -0.200 0.000 2.722 461 I HA 0.277 4.447 4.170 -0.000 0.000 0.292 461 I C -1.761 174.258 176.117 -0.162 0.000 1.267 461 I CA -0.807 60.401 61.300 -0.153 0.000 1.036 461 I CB 2.004 39.940 38.000 -0.106 0.000 1.281 461 I HN 0.483 nan 8.210 nan 0.000 0.423 462 N N 7.485 126.106 118.700 -0.130 0.000 2.602 462 N HA 0.229 4.969 4.740 -0.000 0.000 0.238 462 N C 0.692 176.169 175.510 -0.055 0.000 1.084 462 N CA -0.020 52.968 53.050 -0.103 0.000 0.952 462 N CB 0.772 39.206 38.487 -0.088 0.000 1.244 462 N HN 0.787 nan 8.380 nan 0.000 0.512 463 L N 3.347 124.535 121.223 -0.057 0.000 1.956 463 L HA -0.248 4.092 4.340 -0.000 0.000 0.216 463 L C 1.732 178.610 176.870 0.012 0.000 1.073 463 L CA 1.567 56.394 54.840 -0.022 0.000 0.762 463 L CB -0.251 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 -0.863 117.841 118.700 0.006 0.000 2.149 464 N HA -0.207 4.533 4.740 -0.000 0.000 0.188 464 N C 1.758 177.322 175.510 0.089 0.000 1.019 464 N CA 1.076 54.144 53.050 0.030 0.000 0.857 464 N CB -0.147 38.337 38.487 -0.006 0.000 0.997 464 N HN 0.402 nan 8.380 nan 0.000 0.426 465 A N 1.250 124.118 122.820 0.079 0.000 1.930 465 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 465 A C 1.985 179.665 177.584 0.159 0.000 1.175 465 A CA 1.114 53.237 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 0.086 118.842 118.700 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 0.121 0.000 1.037 466 N CA 1.429 54.526 53.050 0.078 0.000 0.848 466 N CB -0.376 38.135 38.487 0.040 0.000 1.021 466 N HN 0.464 nan 8.380 nan 0.000 0.422 467 L N 0.122 121.429 121.223 0.141 0.000 2.042 467 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 467 L C 2.437 179.486 176.870 0.299 0.000 1.076 467 L CA 1.185 56.133 54.840 0.181 0.000 0.749 467 L CB -0.346 41.798 42.059 0.142 0.000 0.893 467 L HN 0.448 nan 8.230 nan 0.000 0.432 468 W N 0.946 122.283 121.300 0.061 0.000 2.355 468 W HA -0.278 4.382 4.660 -0.000 0.000 0.309 468 W C 2.728 179.339 176.519 0.153 0.000 1.206 468 W CA 1.196 58.588 57.345 0.079 0.000 1.284 468 W CB -0.076 29.398 29.460 0.023 0.000 1.145 468 W HN 0.094 nan 8.180 nan 0.000 0.502 469 R N 0.635 121.181 120.500 0.077 0.000 2.083 469 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 469 R C 2.098 178.388 176.300 -0.017 0.000 1.137 469 R CA 2.027 58.074 56.100 -0.088 0.000 0.951 469 R CB -0.777 29.511 30.300 -0.020 0.000 0.851 469 R HN 0.240 nan 8.270 nan 0.000 0.434 470 N N -0.381 118.366 118.700 0.078 0.000 2.149 470 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 470 N C 1.655 177.253 175.510 0.147 0.000 1.019 470 N CA 1.364 54.483 53.050 0.114 0.000 0.857 470 N CB -0.171 38.392 38.487 0.127 0.000 0.997 470 N HN 0.171 nan 8.380 nan 0.000 0.426 471 F N 2.083 122.051 119.950 0.030 0.000 2.113 471 F HA -0.060 4.467 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 0.992 59.010 58.000 0.031 0.000 1.248 471 F CB -0.358 38.698 39.000 0.094 0.000 0.999 471 F HN -0.090 nan 8.300 nan 0.000 0.475 472 L N -1.052 120.017 121.223 -0.256 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 56.391 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 -0.262 119.912 120.300 -0.209 0.000 2.200 473 Y HA -0.272 4.278 4.550 -0.000 0.000 0.290 473 Y C 2.987 178.825 175.900 -0.103 0.000 1.137 473 Y CA 1.753 59.768 58.100 -0.141 0.000 1.163 473 Y CB -0.006 38.387 38.460 -0.113 0.000 0.988 473 Y HN 0.114 nan 8.280 nan 0.000 0.518 474 S N -0.021 115.644 115.700 -0.057 0.000 2.368 474 S HA -0.167 4.303 4.470 -0.000 0.000 0.224 474 S C 1.692 176.311 174.600 0.032 0.000 1.029 474 S CA 1.710 59.878 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 0.612 nan 8.310 nan 0.000 0.462 475 N N 0.083 118.730 118.700 -0.088 0.000 2.409 475 N HA 0.244 4.984 4.740 -0.000 0.000 0.174 475 N C 1.512 177.053 175.510 0.050 0.000 1.037 475 N CA 0.877 53.935 53.050 0.014 0.000 0.898 475 N CB 0.225 38.466 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 37.613 38.000 -0.121 0.000 1.425 476 I HN -0.136 nan 8.210 nan 0.000 0.461 477 A N 1.763 124.481 122.820 -0.170 0.000 1.859 477 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 477 A C 2.233 179.621 177.584 -0.327 0.000 1.209 477 A CA 1.882 53.771 52.037 -0.248 0.000 0.639 477 A CB -1.259 17.529 19.000 -0.354 0.000 0.835 477 A HN 0.396 nan 8.150 nan 0.000 0.450 478 L N -2.304 118.618 121.223 -0.502 0.000 2.353 478 L HA -0.184 4.156 4.340 -0.000 0.000 0.220 478 L C 1.914 178.501 176.870 -0.472 0.000 1.133 478 L CA 0.992 55.514 54.840 -0.530 0.000 0.798 478 L CB -0.359 41.320 42.059 -0.634 0.000 0.922 478 L HN 0.544 nan 8.230 nan 0.000 0.445 479 Y N -0.974 119.194 120.300 -0.220 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 -0.591 57.425 58.100 -0.140 0.000 1.274 479 Y CB 0.078 38.489 38.460 -0.082 0.000 1.097 479 Y HN 0.013 nan 8.280 nan 0.000 0.523 480 L N 1.690 122.893 121.223 -0.033 0.000 2.483 480 L HA 0.052 4.392 4.340 -0.000 0.000 0.275 480 L C -1.913 174.914 176.870 -0.072 0.000 1.220 480 L CA -1.745 53.062 54.840 -0.054 0.000 0.833 480 L CB 0.142 42.130 42.059 -0.118 0.000 1.102 480 L HN -0.077 nan 8.230 nan 0.000 0.490 481 P HA -0.065 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 0.074 63.146 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 2.442 122.823 120.400 -0.032 0.000 2.221 482 D HA -0.191 4.449 4.640 -0.000 0.000 0.204 482 D C 1.601 177.886 176.300 -0.026 0.000 0.982 482 D CA 1.321 55.308 54.000 -0.022 0.000 0.857 482 D CB -0.027 40.814 40.800 0.067 0.000 0.934 482 D HN 0.426 nan 8.370 nan 0.000 0.475 483 K N -0.050 120.333 120.400 -0.028 0.000 2.280 483 K HA -0.104 4.216 4.320 -0.000 0.000 0.202 483 K C 1.730 178.295 176.600 -0.058 0.000 1.047 483 K CA 0.887 57.159 56.287 -0.025 0.000 0.942 483 K CB -0.271 32.219 32.500 -0.016 0.000 0.739 483 K HN 0.247 nan 8.250 nan 0.000 0.457 484 L N 0.636 121.789 121.223 -0.117 0.000 2.592 484 L HA 0.138 4.478 4.340 -0.000 0.000 0.227 484 L C 0.701 177.528 176.870 -0.071 0.000 1.127 484 L CA 0.027 54.782 54.840 -0.142 0.000 0.884 484 L CB 0.036 41.925 42.059 -0.284 0.000 1.065 484 L HN 0.117 nan 8.230 nan 0.000 0.457 485 K N -0.055 120.304 120.400 -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 -0.660 55.577 56.287 -0.084 0.000 0.937 485 K CB 1.414 33.797 32.500 -0.195 0.000 1.171 485 K HN -0.125 nan 8.250 nan 0.000 0.479 486 Y N -3.096 117.131 120.300 -0.122 0.000 2.552 486 Y HA 0.400 4.950 4.550 -0.000 0.000 0.337 486 Y C -0.906 174.921 175.900 -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 4.718 120.440 115.700 0.036 0.000 2.564 487 S HA 0.311 4.781 4.470 -0.000 0.000 0.278 487 S C -2.358 172.258 174.600 0.026 0.000 1.333 487 S CA -0.837 57.330 58.200 -0.056 0.000 1.048 487 S CB 0.280 63.474 63.200 -0.009 0.000 0.900 487 S HN 0.567 nan 8.310 nan 0.000 0.505 488 P HA 0.184 nan 4.420 nan 0.000 0.278 488 P C -0.764 176.555 177.300 0.031 0.000 1.238 488 P CA -0.538 62.561 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 1.364 117.097 115.700 0.056 0.000 2.562 489 S HA 0.239 4.709 4.470 -0.000 0.000 0.275 489 S C 0.589 175.174 174.600 -0.025 0.000 1.281 489 S CA -0.566 57.647 58.200 0.021 0.000 1.045 489 S CB -0.049 63.171 63.200 0.033 0.000 0.962 489 S HN 0.553 nan 8.310 nan 0.000 0.503 490 N N -1.111 117.568 118.700 -0.033 0.000 2.800 490 N HA -0.130 4.610 4.740 -0.000 0.000 0.250 490 N C -0.946 174.532 175.510 -0.053 0.000 1.078 490 N CA 0.960 53.976 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 0.551 nan 8.380 nan 0.000 0.565 491 V N 0.653 120.545 119.914 -0.036 0.000 2.656 491 V HA 0.265 4.385 4.120 -0.000 0.000 0.307 491 V C 0.448 176.529 176.094 -0.022 0.000 1.051 491 V CA -0.964 61.318 62.300 -0.030 0.000 0.893 491 V CB 2.475 34.282 31.823 -0.026 0.000 0.999 491 V HN -0.034 nan 8.190 nan 0.000 0.426 492 K N 4.327 124.717 120.400 -0.016 0.000 2.379 492 K HA 0.538 4.858 4.320 -0.000 0.000 0.284 492 K C -0.676 175.916 176.600 -0.014 0.000 1.044 492 K CA 0.060 56.341 56.287 -0.009 0.000 0.974 492 K CB 1.170 33.668 32.500 -0.003 0.000 0.962 492 K HN 0.575 nan 8.250 nan 0.000 0.474 493 I N 1.185 121.752 120.570 -0.006 0.000 2.582 493 I HA 0.115 4.285 4.170 -0.000 0.000 0.292 493 I C -0.170 175.977 176.117 0.050 0.000 1.066 493 I CA -0.505 60.793 61.300 -0.004 0.000 1.053 493 I CB 2.064 40.040 38.000 -0.040 0.000 1.241 493 I HN 0.622 nan 8.210 nan 0.000 0.421 494 S N 3.802 119.545 115.700 0.072 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 0.116 0.000 1.343 494 S CA 0.456 58.707 58.200 0.085 0.000 1.036 494 S CB 0.662 63.910 63.200 0.079 0.000 0.866 494 S HN 0.750 nan 8.310 nan 0.000 0.526 495 D N 1.115 121.536 120.400 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 -0.122 0.000 0.974 495 D CA 0.389 54.381 54.000 -0.013 0.000 0.871 495 D CB 0.013 40.806 40.800 -0.013 0.000 0.947 495 D HN 0.415 nan 8.370 nan 0.000 0.516 496 N N 1.036 119.663 118.700 -0.121 0.000 2.406 496 N HA 0.060 4.800 4.740 -0.000 0.000 0.251 496 N C -1.880 173.399 175.510 -0.384 0.000 1.069 496 N CA -1.790 51.148 53.050 -0.187 0.000 0.947 496 N CB 1.422 39.857 38.487 -0.086 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 -0.071 177.044 177.300 -0.308 0.000 1.178 497 P CA 0.660 63.206 63.100 -0.924 0.000 0.766 497 P CB 0.493 31.744 31.700 -0.748 0.000 0.876 498 N N -0.650 117.949 118.700 -0.167 0.000 2.336 498 N HA 0.037 4.777 4.740 -0.000 0.000 0.189 498 N C 0.464 175.968 175.510 -0.011 0.000 1.113 498 N CA 0.424 53.442 53.050 -0.052 0.000 0.858 498 N CB -0.031 38.432 38.487 -0.040 0.000 0.970 498 N HN 0.098 nan 8.380 nan 0.000 0.471 499 T N -0.018 114.532 114.554 -0.007 0.000 2.913 499 T HA 0.065 4.415 4.350 -0.000 0.000 0.287 499 T C 1.055 175.809 174.700 0.091 0.000 1.008 499 T CA -0.385 61.746 62.100 0.051 0.000 1.067 499 T CB 1.355 70.252 68.868 0.049 0.000 0.996 499 T HN 0.164 nan 8.240 nan 0.000 0.513 500 Y N 2.015 122.299 120.300 -0.026 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 -0.077 0.000 1.129 500 Y CA 1.968 60.030 58.100 -0.063 0.000 1.161 500 Y CB -0.154 38.255 38.460 -0.085 0.000 0.997 500 Y HN 0.826 nan 8.280 nan 0.000 0.522 501 D N -0.873 119.524 120.400 -0.005 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 -0.179 0.000 0.997 501 D CA 1.844 55.775 54.000 -0.115 0.000 0.840 501 D CB -0.540 40.265 40.800 0.009 0.000 0.947 501 D HN 0.537 nan 8.370 nan 0.000 0.452 502 Y N 0.338 120.523 120.300 -0.192 0.000 2.163 502 Y HA -0.111 4.439 4.550 -0.000 0.000 0.288 502 Y C 2.129 177.877 175.900 -0.253 0.000 1.136 502 Y CA 1.615 59.605 58.100 -0.183 0.000 1.147 502 Y CB -0.141 38.248 38.460 -0.117 0.000 0.987 502 Y HN -0.002 nan 8.280 nan 0.000 0.509 503 M N -0.215 119.292 119.600 -0.155 0.000 2.460 503 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 503 M C 1.521 177.522 176.300 -0.499 0.000 1.071 503 M CA 1.550 56.676 55.300 -0.291 0.000 1.096 503 M CB -0.323 32.154 32.600 -0.205 0.000 1.408 503 M HN 0.277 nan 8.290 nan 0.000 0.463 504 N N 0.744 119.055 118.700 -0.649 0.000 2.409 504 N HA -0.019 4.721 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 0.911 53.509 53.050 -0.753 0.000 0.898 504 N CB 0.305 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 -0.592 119.483 120.400 -0.541 0.000 2.348 505 K HA 0.202 4.522 4.320 -0.000 0.000 0.194 505 K C -0.065 176.313 176.600 -0.372 0.000 1.052 505 K CA -0.240 55.805 56.287 -0.403 0.000 1.004 505 K CB 0.500 32.819 32.500 -0.303 0.000 0.873 505 K HN -0.022 nan 8.250 nan 0.000 0.523 506 R N 1.962 122.161 120.500 -0.502 0.000 2.502 506 R HA 0.011 4.351 4.340 -0.000 0.000 0.292 506 R C -0.218 175.820 176.300 -0.438 0.000 0.998 506 R CA 0.130 55.918 56.100 -0.519 0.000 1.056 506 R CB 0.599 30.526 30.300 -0.622 0.000 0.939 506 R HN -0.034 nan 8.270 nan 0.000 0.411 507 V N 3.919 123.510 119.914 -0.537 0.000 2.539 507 V HA 0.454 4.574 4.120 -0.000 0.000 0.292 507 V C -0.519 175.231 176.094 -0.573 0.000 1.045 507 V CA -0.623 61.346 62.300 -0.552 0.000 0.945 507 V CB 1.893 33.318 31.823 -0.664 0.000 0.993 507 V HN 0.449 nan 8.190 nan 0.000 0.464 508 V N 6.828 126.577 119.914 -0.274 0.000 2.604 508 V HA 0.875 4.995 4.120 -0.000 0.000 0.305 508 V C 0.386 176.509 176.094 0.048 0.000 1.043 508 V CA -0.074 62.148 62.300 -0.131 0.000 0.888 508 V CB 1.671 33.402 31.823 -0.153 0.000 0.995 508 V HN 1.492 nan 8.190 nan 0.000 0.429 509 A N 7.245 130.111 122.820 0.077 0.000 2.454 509 A HA 0.552 4.872 4.320 -0.000 0.000 0.260 509 A C -1.658 175.987 177.584 0.102 0.000 1.106 509 A CA -0.967 51.117 52.037 0.077 0.000 0.780 509 A CB 0.264 19.284 19.000 0.034 0.000 1.044 509 A HN 0.809 nan 8.150 nan 0.000 0.498 510 P HA -0.122 nan 4.420 nan 0.000 0.218 510 P C 1.588 178.911 177.300 0.037 0.000 1.148 510 P CA 1.706 64.857 63.100 0.085 0.000 0.822 510 P CB 0.203 31.829 31.700 -0.123 0.000 0.784 511 G N -0.762 108.057 108.800 0.033 0.000 2.586 511 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.215 511 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.215 511 G C 1.280 176.218 174.900 0.064 0.000 1.128 511 G CA 0.251 45.387 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 0.592 177.504 176.870 0.070 0.000 1.106 512 L CA 0.404 55.286 54.840 0.070 0.000 0.793 512 L CB 0.340 42.422 42.059 0.038 0.000 0.927 512 L HN 0.026 nan 8.230 nan 0.000 0.446 513 V N -0.884 119.034 119.914 0.006 0.000 2.502 513 V HA 0.224 4.345 4.120 -0.000 0.000 0.261 513 V C -0.507 175.492 176.094 -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 0.582 120.813 120.400 -0.282 0.000 2.387 514 D HA 0.155 4.795 4.640 -0.000 0.000 0.251 514 D C 1.436 177.425 176.300 -0.519 0.000 1.141 514 D CA -0.100 53.611 54.000 -0.480 0.000 0.987 514 D CB 2.269 42.584 40.800 -0.807 0.000 1.116 514 D HN 0.559 nan 8.370 nan 0.000 0.491 515 C N 0.527 119.586 119.300 -0.401 0.000 2.421 515 C HA -0.099 4.361 4.460 -0.000 0.000 0.296 515 C C 1.656 176.710 174.990 0.106 0.000 1.470 515 C CA -0.104 58.839 59.018 -0.125 0.000 1.779 515 C CB -2.315 25.513 27.740 0.146 0.000 1.715 515 C HN 0.565 nan 8.230 nan 0.000 0.564 516 Y N -1.357 119.030 120.300 0.145 0.000 2.607 516 Y HA 0.618 5.168 4.550 -0.000 0.000 0.266 516 Y C 0.555 176.512 175.900 0.094 0.000 1.178 516 Y CA -2.387 55.785 58.100 0.119 0.000 1.226 516 Y CB -1.141 37.362 38.460 0.073 0.000 1.144 516 Y HN 0.151 nan 8.280 nan 0.000 0.528 517 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 0.124 0.000 1.402 517 I CB -0.151 37.879 38.000 0.050 0.000 1.399 517 I HN 0.426 nan 8.210 nan 0.000 0.535 518 N N 5.596 124.365 118.700 0.115 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 0.561 53.646 53.050 0.057 0.000 0.777 518 N CB -0.863 37.660 38.487 0.060 0.000 0.907 518 N HN 0.592 nan 8.380 nan 0.000 0.543 519 L N 0.075 121.354 121.223 0.093 0.000 2.578 519 L HA 0.029 4.369 4.340 -0.000 0.000 0.279 519 L C 1.662 178.565 176.870 0.055 0.000 1.227 519 L CA 1.220 56.119 54.840 0.098 0.000 0.900 519 L CB 0.172 42.290 42.059 0.099 0.000 1.144 519 L HN 0.624 nan 8.230 nan 0.000 0.496 520 G N 2.494 111.332 108.800 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 0.097 175.024 174.900 0.046 0.000 0.981 520 G CA 0.112 45.239 45.100 0.045 0.000 0.670 520 G HN 1.015 nan 8.290 nan 0.000 0.528 521 A N -0.722 122.138 122.820 0.067 0.000 2.354 521 A HA 0.911 5.231 4.320 -0.000 0.000 0.321 521 A C 0.190 177.859 177.584 0.143 0.000 1.125 521 A CA -0.179 51.908 52.037 0.083 0.000 0.799 521 A CB 1.134 20.159 19.000 0.041 0.000 1.293 521 A HN 0.764 nan 8.150 nan 0.000 0.452 522 R N 1.467 122.068 120.500 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 0.768 nan 8.270 nan 0.000 0.528 523 W N 4.189 125.498 121.300 0.015 0.000 3.259 523 W HA 0.222 4.882 4.660 -0.000 0.000 0.331 523 W C -1.278 175.236 176.519 -0.008 0.000 1.144 523 W CA -0.612 56.732 57.345 -0.001 0.000 1.227 523 W CB 2.145 31.609 29.460 0.008 0.000 1.371 523 W HN 0.585 nan 8.180 nan 0.000 0.491 524 S N 4.831 120.261 115.700 -0.450 0.000 2.537 524 S HA 0.511 4.981 4.470 -0.000 0.000 0.275 524 S C -0.126 174.227 174.600 -0.412 0.000 1.272 524 S CA -0.670 57.315 58.200 -0.359 0.000 1.050 524 S CB 1.440 64.401 63.200 -0.399 0.000 0.961 524 S HN 0.429 nan 8.310 nan 0.000 0.496 525 L N 2.987 124.150 121.223 -0.100 0.000 2.499 525 L HA 0.062 4.402 4.340 -0.000 0.000 0.273 525 L C 1.089 177.919 176.870 -0.066 0.000 1.195 525 L CA -0.373 54.485 54.840 0.029 0.000 0.882 525 L CB 0.098 42.226 42.059 0.115 0.000 1.133 525 L HN 0.738 nan 8.230 nan 0.000 0.483 526 D N 1.882 122.254 120.400 -0.047 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 1.701 55.641 54.000 -0.099 0.000 0.854 526 D CB 0.031 40.776 40.800 -0.093 0.000 0.936 526 D HN 0.509 nan 8.370 nan 0.000 0.462 527 Y N -0.177 120.151 120.300 0.048 0.000 2.293 527 Y HA -0.054 4.496 4.550 -0.000 0.000 0.291 527 Y C 2.250 178.163 175.900 0.021 0.000 1.137 527 Y CA 0.674 58.799 58.100 0.042 0.000 1.202 527 Y CB -0.193 38.294 38.460 0.044 0.000 0.990 527 Y HN -0.021 nan 8.280 nan 0.000 0.537 528 M N -0.820 118.863 119.600 0.139 0.000 2.509 528 M HA -0.022 4.458 4.480 -0.000 0.000 0.250 528 M C 1.010 177.303 176.300 -0.012 0.000 1.132 528 M CA 0.539 55.865 55.300 0.042 0.000 1.080 528 M CB -0.620 31.968 32.600 -0.021 0.000 1.408 528 M HN 0.137 nan 8.290 nan 0.000 0.484 529 D N 1.682 122.061 120.400 -0.037 0.000 2.133 529 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 529 D C 1.077 177.477 176.300 0.167 0.000 0.997 529 D CA 1.233 55.182 54.000 -0.085 0.000 0.840 529 D CB -0.188 40.511 40.800 -0.168 0.000 0.947 529 D HN 0.304 nan 8.370 nan 0.000 0.452 530 N N -0.154 118.690 118.700 0.240 0.000 2.313 530 N HA 0.044 4.784 4.740 -0.000 0.000 0.207 530 N C -0.580 175.144 175.510 0.356 0.000 1.141 530 N CA 0.003 53.258 53.050 0.341 0.000 0.830 530 N CB 0.944 39.566 38.487 0.225 0.000 1.008 530 N HN -0.003 nan 8.380 nan 0.000 0.481 531 V N 1.537 121.571 119.914 0.200 0.000 2.439 531 V HA 0.137 4.257 4.120 -0.000 0.000 0.282 531 V C 0.576 176.553 176.094 -0.196 0.000 1.039 531 V CA -1.174 61.176 62.300 0.083 0.000 0.913 531 V CB 1.435 33.284 31.823 0.042 0.000 0.983 531 V HN 0.193 nan 8.190 nan 0.000 0.460 532 N N 7.805 126.281 118.700 -0.373 0.000 2.386 532 N HA 0.006 4.746 4.740 -0.000 0.000 0.273 532 N C -1.157 174.076 175.510 -0.462 0.000 1.331 532 N CA -1.046 51.471 53.050 -0.888 0.000 0.891 532 N CB 1.303 39.637 38.487 -0.255 0.000 1.139 532 N HN 0.406 nan 8.380 nan 0.000 0.487 533 P HA -0.063 nan 4.420 nan 0.000 0.229 533 P C 0.846 177.847 177.300 -0.497 0.000 1.160 533 P CA 0.911 63.628 63.100 -0.638 0.000 0.777 533 P CB 0.016 31.076 31.700 -1.068 0.000 0.814 534 F N 0.210 120.136 119.950 -0.040 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 0.291 58.340 58.000 0.082 0.000 1.446 534 F CB -1.000 38.065 39.000 0.109 0.000 1.092 534 F HN -0.154 nan 8.300 nan 0.000 0.554 535 N N 1.242 120.068 118.700 0.210 0.000 2.895 535 N HA -0.010 4.730 4.740 -0.000 0.000 0.277 535 N C -0.656 174.981 175.510 0.212 0.000 1.185 535 N CA 0.376 53.554 53.050 0.213 0.000 1.106 535 N CB -0.578 38.040 38.487 0.219 0.000 1.422 535 N HN 0.278 nan 8.380 nan 0.000 0.521 536 H N 0.584 119.682 119.070 0.048 0.000 3.012 536 H HA 0.063 4.619 4.556 -0.000 0.000 0.367 536 H C 0.829 176.199 175.328 0.071 0.000 1.211 536 H CA -0.392 55.581 56.048 -0.125 0.000 1.139 536 H CB 1.249 30.738 29.762 -0.456 0.000 1.838 536 H HN 0.449 nan 8.280 nan 0.000 0.550 537 H N 2.585 121.696 119.070 0.068 0.000 2.559 537 H HA 0.081 4.637 4.556 -0.000 0.000 0.273 537 H C 0.368 175.891 175.328 0.325 0.000 1.000 537 H CA 0.339 56.577 56.048 0.317 0.000 1.195 537 H CB 0.264 30.196 29.762 0.282 0.000 1.368 537 H HN 0.358 nan 8.280 nan 0.000 0.592 538 R N 1.085 121.612 120.500 0.044 0.000 2.466 538 R HA 0.075 4.415 4.340 -0.000 0.000 0.279 538 R C -0.005 176.293 176.300 -0.004 0.000 0.976 538 R CA -0.173 55.903 56.100 -0.039 0.000 1.081 538 R CB -0.064 30.127 30.300 -0.182 0.000 1.215 538 R HN 0.386 nan 8.270 nan 0.000 0.546 539 N N 0.707 119.440 118.700 0.054 0.000 2.415 539 N HA 0.060 4.800 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 52.850 53.050 0.070 0.000 0.945 539 N CB 1.034 39.604 38.487 0.139 0.000 1.196 539 N HN 0.083 nan 8.380 nan 0.000 0.499 540 A N 3.665 126.514 122.820 0.049 0.000 1.908 540 A HA -0.128 4.192 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 1.862 53.949 52.037 0.082 0.000 0.627 540 A CB -1.086 17.996 19.000 0.137 0.000 0.818 540 A HN 0.783 nan 8.150 nan 0.000 0.445 541 G N -0.118 108.712 108.800 0.050 0.000 2.459 541 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 541 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 541 G C 1.493 176.347 174.900 -0.077 0.000 1.183 541 G CA 1.277 46.312 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 0.078 4.418 4.340 -0.000 0.000 0.208 542 L C 2.674 179.497 176.870 -0.078 0.000 1.077 542 L CA 2.277 57.112 54.840 -0.008 0.000 0.747 542 L CB -0.764 41.328 42.059 0.054 0.000 0.896 542 L HN 0.260 nan 8.230 nan 0.000 0.432 543 R N -1.849 118.530 120.500 -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 2.057 57.872 56.100 -0.474 0.000 0.959 543 R CB -0.663 29.327 30.300 -0.516 0.000 0.856 543 R HN 0.575 nan 8.270 nan 0.000 0.437 544 Y N 0.670 120.872 120.300 -0.163 0.000 2.163 544 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 544 Y C 2.139 177.982 175.900 -0.094 0.000 1.136 544 Y CA 1.763 59.800 58.100 -0.106 0.000 1.147 544 Y CB -0.019 38.331 38.460 -0.183 0.000 0.987 544 Y HN -0.038 nan 8.280 nan 0.000 0.509 545 R N -0.525 119.941 120.500 -0.057 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 1.209 57.254 56.100 -0.092 0.000 0.983 545 R CB -0.441 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 0.163 115.855 115.700 -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 0.053 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 0.494 120.108 119.600 0.023 0.000 2.492 547 M HA 0.074 4.554 4.480 -0.000 0.000 0.262 547 M C 1.730 177.977 176.300 -0.087 0.000 1.090 547 M CA 0.395 55.704 55.300 0.015 0.000 1.110 547 M CB -0.195 32.410 32.600 0.008 0.000 1.407 547 M HN 0.283 nan 8.290 nan 0.000 0.470 548 L N 0.398 121.496 121.223 -0.208 0.000 2.141 548 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 548 L C 1.927 178.768 176.870 -0.048 0.000 1.094 548 L CA 1.737 56.444 54.840 -0.220 0.000 0.763 548 L CB -0.380 41.493 42.059 -0.310 0.000 0.908 548 L HN 0.285 nan 8.230 nan 0.000 0.437 549 L N -1.889 119.335 121.223 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 -0.323 41.750 42.059 0.024 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 -0.632 174.368 174.900 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 -0.043 118.769 118.700 0.186 0.000 2.187 551 N HA 0.340 5.080 4.740 -0.000 0.000 0.212 551 N C 0.714 176.427 175.510 0.338 0.000 1.152 551 N CA 0.760 53.972 53.050 0.270 0.000 0.872 551 N CB 1.152 39.734 38.487 0.159 0.000 1.025 551 N HN 1.069 nan 8.380 nan 0.000 0.514 552 G N 0.193 109.153 108.800 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 0.086 0.000 1.189 552 G CA -0.790 44.435 45.100 0.209 0.000 0.962 552 G HN 0.138 nan 8.290 nan 0.000 0.486 553 R N -0.765 119.712 120.500 -0.038 0.000 2.075 553 R HA -0.007 4.333 4.340 -0.000 0.000 0.232 553 R C -0.255 175.777 176.300 -0.447 0.000 1.126 553 R CA 0.827 56.727 56.100 -0.333 0.000 0.963 553 R CB -0.238 29.741 30.300 -0.535 0.000 0.858 553 R HN 0.456 nan 8.270 nan 0.000 0.435 554 Y N 0.631 120.923 120.300 -0.013 0.000 2.383 554 Y HA 0.367 4.917 4.550 -0.000 0.000 0.344 554 Y C -0.590 175.310 175.900 -0.000 0.000 0.986 554 Y CA -0.779 57.314 58.100 -0.013 0.000 1.175 554 Y CB 1.735 40.198 38.460 0.005 0.000 1.152 554 Y HN -0.243 nan 8.280 nan 0.000 0.511 555 V N 6.125 126.125 119.914 0.143 0.000 2.524 555 V HA 0.384 4.504 4.120 -0.000 0.000 0.297 555 V C -2.497 173.707 176.094 0.184 0.000 1.035 555 V CA -2.013 60.368 62.300 0.134 0.000 0.867 555 V CB 2.270 34.144 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 -0.930 176.435 177.300 0.108 0.000 1.326 556 P CA -0.174 62.952 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 1.196 121.223 119.950 0.127 0.000 2.440 557 F HA 0.649 5.176 4.527 -0.000 0.000 0.328 557 F C -0.375 175.533 175.800 0.181 0.000 1.070 557 F CA -1.163 56.944 58.000 0.178 0.000 1.011 557 F CB 1.423 40.598 39.000 0.293 0.000 1.226 557 F HN 0.403 nan 8.300 nan 0.000 0.491 558 H N 3.873 123.086 119.070 0.237 0.000 3.181 558 H HA 0.581 5.137 4.556 -0.000 0.000 0.331 558 H C -1.477 173.916 175.328 0.109 0.000 0.988 558 H CA -0.914 55.193 56.048 0.099 0.000 1.449 558 H CB 1.419 31.197 29.762 0.027 0.000 1.749 558 H HN 0.894 nan 8.280 nan 0.000 0.501 559 I N 0.950 121.641 120.570 0.201 0.000 3.145 559 I HA 0.534 4.704 4.170 -0.000 0.000 0.313 559 I C -1.556 174.477 176.117 -0.140 0.000 1.122 559 I CA -1.273 59.973 61.300 -0.089 0.000 0.987 559 I CB 2.679 40.462 38.000 -0.361 0.000 1.236 559 I HN 0.389 nan 8.210 nan 0.000 0.453 560 Q N 2.379 122.058 119.800 -0.202 0.000 2.333 560 Q HA 0.628 4.968 4.340 -0.000 0.000 0.268 560 Q C -1.219 174.838 176.000 0.094 0.000 1.007 560 Q CA -0.547 55.192 55.803 -0.108 0.000 0.810 560 Q CB 2.539 30.948 28.738 -0.549 0.000 1.264 560 Q HN 0.548 nan 8.270 nan 0.000 0.452 561 V N 4.852 124.873 119.914 0.178 0.000 2.417 561 V HA 0.576 4.696 4.120 -0.000 0.000 0.291 561 V C -2.137 174.077 176.094 0.199 0.000 1.024 561 V CA -1.830 60.577 62.300 0.178 0.000 0.861 561 V CB 1.554 33.428 31.823 0.086 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 -1.250 175.891 177.300 -0.265 0.000 1.252 562 P CA -0.617 62.251 63.100 -0.386 0.000 0.811 562 P CB 1.326 32.450 31.700 -0.960 0.000 1.035 563 Q N 1.369 120.997 119.800 -0.286 0.000 2.274 563 Q HA 0.187 4.527 4.340 -0.000 0.000 0.256 563 Q C 0.316 176.174 176.000 -0.236 0.000 0.927 563 Q CA 0.452 56.117 55.803 -0.231 0.000 0.939 563 Q CB 0.868 29.472 28.738 -0.224 0.000 1.201 563 Q HN 0.296 nan 8.270 nan 0.000 0.426 564 K N 3.412 123.706 120.400 -0.176 0.000 2.380 564 K HA 0.152 4.472 4.320 -0.000 0.000 0.198 564 K C -0.331 176.192 176.600 -0.128 0.000 1.070 564 K CA -0.268 55.817 56.287 -0.337 0.000 1.040 564 K CB 0.421 32.508 32.500 -0.689 0.000 0.903 564 K HN 0.478 nan 8.250 nan 0.000 0.549 565 F N 2.842 122.718 119.950 -0.124 0.000 2.590 565 F HA -0.077 4.450 4.527 -0.000 0.000 0.389 565 F C 1.110 176.897 175.800 -0.022 0.000 1.049 565 F CA -1.130 56.882 58.000 0.020 0.000 1.199 565 F CB 0.198 39.342 39.000 0.240 0.000 1.058 565 F HN 0.057 nan 8.300 nan 0.000 0.556 566 F N 4.300 123.927 119.950 -0.538 0.000 2.161 566 F HA -0.116 4.411 4.527 -0.000 0.000 0.300 566 F C 1.767 177.322 175.800 -0.409 0.000 1.089 566 F CA 1.334 59.103 58.000 -0.384 0.000 1.282 566 F CB -1.210 37.622 39.000 -0.279 0.000 1.010 566 F HN 0.391 nan 8.300 nan 0.000 0.485 567 A N 1.194 123.069 122.820 -1.576 0.000 2.067 567 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 567 A C 2.103 179.380 177.584 -0.510 0.000 1.158 567 A CA 1.634 53.105 52.037 -0.943 0.000 0.661 567 A CB -1.115 17.457 19.000 -0.712 0.000 0.801 567 A HN 0.796 nan 8.150 nan 0.000 0.452 568 I N -4.743 115.614 120.570 -0.355 0.000 4.526 568 I HA 0.216 4.386 4.170 -0.000 0.000 0.330 568 I C 1.620 177.536 176.117 -0.335 0.000 1.323 568 I CA 0.546 61.668 61.300 -0.297 0.000 1.218 568 I CB -0.000 37.954 38.000 -0.076 0.000 1.233 568 I HN 0.140 nan 8.210 nan 0.000 0.430 569 K N 1.977 122.196 120.400 -0.301 0.000 2.152 569 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 569 K C 0.564 177.021 176.600 -0.238 0.000 1.048 569 K CA 1.926 58.078 56.287 -0.225 0.000 0.933 569 K CB -0.177 32.243 32.500 -0.133 0.000 0.721 569 K HN 0.410 nan 8.250 nan 0.000 0.447 570 N N 0.810 119.287 118.700 -0.371 0.000 2.238 570 N HA 0.070 4.810 4.740 -0.000 0.000 0.235 570 N C -0.627 174.750 175.510 -0.222 0.000 1.209 570 N CA -0.314 52.604 53.050 -0.220 0.000 0.879 570 N CB 0.571 39.029 38.487 -0.049 0.000 1.136 570 N HN 0.115 nan 8.380 nan 0.000 0.517 571 L N 1.622 122.610 121.223 -0.392 0.000 2.453 571 L HA 0.202 4.542 4.340 -0.000 0.000 0.272 571 L C -0.203 176.619 176.870 -0.080 0.000 1.182 571 L CA -0.225 54.501 54.840 -0.191 0.000 0.858 571 L CB 0.512 42.409 42.059 -0.270 0.000 1.120 571 L HN -0.023 nan 8.230 nan 0.000 0.474 572 L N 5.873 127.109 121.223 0.021 0.000 2.259 572 L HA 0.422 4.762 4.340 -0.000 0.000 0.288 572 L C -0.838 176.002 176.870 -0.051 0.000 1.051 572 L CA 0.087 54.917 54.840 -0.017 0.000 0.824 572 L CB 0.610 42.683 42.059 0.023 0.000 1.206 572 L HN 0.592 nan 8.230 nan 0.000 0.429 573 L N 5.724 126.876 121.223 -0.117 0.000 2.290 573 L HA 0.391 4.731 4.340 -0.000 0.000 0.284 573 L C -0.057 176.795 176.870 -0.030 0.000 1.078 573 L CA 0.226 54.966 54.840 -0.167 0.000 0.815 573 L CB 1.002 42.849 42.059 -0.354 0.000 1.162 573 L HN 0.557 nan 8.230 nan 0.000 0.435 574 L N 4.533 125.778 121.223 0.036 0.000 2.469 574 L HA 0.453 4.793 4.340 -0.000 0.000 0.253 574 L C -2.006 174.997 176.870 0.223 0.000 1.143 574 L CA -2.106 52.803 54.840 0.115 0.000 0.804 574 L CB 0.105 42.217 42.059 0.089 0.000 1.214 574 L HN 0.366 nan 8.230 nan 0.000 0.476 575 P HA 0.153 nan 4.420 nan 0.000 0.265 575 P C -0.172 177.212 177.300 0.141 0.000 1.187 575 P CA 0.482 63.677 63.100 0.158 0.000 0.766 575 P CB 0.513 32.262 31.700 0.082 0.000 0.820 576 G N 0.638 109.476 108.800 0.064 0.000 2.368 576 G HA2 0.242 4.202 3.960 -0.000 0.000 0.302 576 G HA3 0.242 4.202 3.960 -0.000 0.000 0.302 576 G C -1.452 173.235 174.900 -0.356 0.000 1.329 576 G CA -0.607 44.372 45.100 -0.202 0.000 0.935 576 G HN 0.340 nan 8.290 nan 0.000 0.590 577 S N -0.227 115.149 115.700 -0.539 0.000 2.454 577 S HA 0.804 5.274 4.470 -0.000 0.000 0.306 577 S C -1.301 172.948 174.600 -0.585 0.000 1.100 577 S CA -0.345 57.639 58.200 -0.359 0.000 1.087 577 S CB 0.831 63.942 63.200 -0.149 0.000 1.019 577 S HN 0.491 nan 8.310 nan 0.000 0.480 578 Y N 0.342 120.659 120.300 0.028 0.000 2.499 578 Y HA 0.499 5.049 4.550 -0.000 0.000 0.347 578 Y C 0.631 176.580 175.900 0.082 0.000 0.987 578 Y CA -1.000 57.123 58.100 0.039 0.000 1.044 578 Y CB 1.457 39.919 38.460 0.003 0.000 1.245 578 Y HN 0.442 nan 8.280 nan 0.000 0.461 579 T N 2.664 117.371 114.554 0.254 0.000 2.743 579 T HA 0.294 4.644 4.350 -0.000 0.000 0.293 579 T C -1.509 173.407 174.700 0.359 0.000 0.945 579 T CA -0.199 62.046 62.100 0.242 0.000 1.030 579 T CB -0.297 68.666 68.868 0.157 0.000 0.912 579 T HN 0.635 nan 8.240 nan 0.000 0.483 580 Y N 4.444 124.891 120.300 0.245 0.000 2.345 580 Y HA 0.499 5.049 4.550 0.000 0.000 0.331 580 Y C -0.198 175.956 175.900 0.423 0.000 0.959 580 Y CA -0.898 57.390 58.100 0.313 0.000 1.204 580 Y CB 0.802 39.419 38.460 0.262 0.000 1.135 580 Y HN 0.689 nan 8.280 nan 0.000 0.477 581 E N 6.695 127.120 120.200 0.375 0.000 2.293 581 E HA 0.251 4.601 4.350 -0.000 0.000 0.270 581 E C -1.990 174.687 176.600 0.128 0.000 0.879 581 E CA -0.607 55.904 56.400 0.184 0.000 0.756 581 E CB 1.852 31.587 29.700 0.058 0.000 1.208 581 E HN 0.724 nan 8.360 nan 0.000 0.428 582 W N 2.663 123.859 121.300 -0.173 0.000 3.118 582 W HA 0.399 5.059 4.660 -0.000 0.000 0.328 582 W C -1.196 175.122 176.519 -0.335 0.000 1.239 582 W CA -0.622 56.520 57.345 -0.338 0.000 1.176 582 W CB 2.210 31.322 29.460 -0.580 0.000 1.433 582 W HN 0.525 nan 8.180 nan 0.000 0.562 583 N N 2.038 120.496 118.700 -0.403 0.000 2.361 583 N HA 0.503 5.243 4.740 -0.000 0.000 0.302 583 N C -1.535 173.918 175.510 -0.096 0.000 1.074 583 N CA -0.243 52.731 53.050 -0.127 0.000 0.850 583 N CB 1.779 40.128 38.487 -0.229 0.000 1.228 583 N HN 0.041 nan 8.380 nan 0.000 0.491 584 F N 0.507 120.640 119.950 0.305 0.000 2.532 584 F HA 0.470 4.997 4.527 -0.000 0.000 0.321 584 F C 0.985 177.006 175.800 0.368 0.000 1.089 584 F CA -0.874 57.258 58.000 0.219 0.000 0.926 584 F CB 1.461 40.426 39.000 -0.059 0.000 1.168 584 F HN 0.037 nan 8.300 nan 0.000 0.459 585 R N 1.596 122.290 120.500 0.324 0.000 2.531 585 R HA 0.367 4.707 4.340 -0.000 0.000 0.273 585 R C 0.356 176.940 176.300 0.474 0.000 1.070 585 R CA -0.501 55.773 56.100 0.290 0.000 1.112 585 R CB 1.149 31.426 30.300 -0.039 0.000 1.049 585 R HN 0.701 nan 8.270 nan 0.000 0.508 586 K N 0.432 121.079 120.400 0.412 0.000 2.402 586 K HA 0.020 4.340 4.320 -0.000 0.000 0.203 586 K C -0.336 176.391 176.600 0.212 0.000 1.077 586 K CA -0.106 56.346 56.287 0.275 0.000 1.051 586 K CB 0.513 33.149 32.500 0.227 0.000 0.907 586 K HN 0.475 nan 8.250 nan 0.000 0.554 587 D N 2.097 122.669 120.400 0.286 0.000 2.363 587 D HA -0.044 4.596 4.640 -0.000 0.000 0.263 587 D C 1.375 177.780 176.300 0.176 0.000 1.258 587 D CA -0.080 54.091 54.000 0.286 0.000 0.907 587 D CB 1.222 42.224 40.800 0.337 0.000 1.107 587 D HN -0.046 nan 8.370 nan 0.000 0.495 588 V N 2.302 122.289 119.914 0.122 0.000 2.568 588 V HA -0.211 3.909 4.120 -0.000 0.000 0.253 588 V C 1.584 177.710 176.094 0.053 0.000 1.072 588 V CA 1.355 63.686 62.300 0.051 0.000 1.084 588 V CB -0.601 31.220 31.823 -0.003 0.000 0.676 588 V HN 0.395 nan 8.190 nan 0.000 0.469 589 N N -0.301 118.457 118.700 0.096 0.000 2.512 589 N HA 0.064 4.804 4.740 -0.000 0.000 0.183 589 N C 1.526 177.170 175.510 0.223 0.000 1.073 589 N CA 1.294 54.407 53.050 0.105 0.000 0.911 589 N CB -0.033 38.517 38.487 0.104 0.000 0.964 589 N HN 0.458 nan 8.380 nan 0.000 0.447 590 M N -0.624 119.089 119.600 0.188 0.000 2.718 590 M HA 0.096 4.576 4.480 -0.000 0.000 0.259 590 M C 2.056 178.444 176.300 0.147 0.000 1.240 590 M CA 0.646 56.041 55.300 0.157 0.000 1.210 590 M CB -0.817 31.829 32.600 0.076 0.000 1.281 590 M HN 0.005 nan 8.290 nan 0.000 0.515 591 V N -1.491 118.519 119.914 0.159 0.000 2.951 591 V HA 0.158 4.278 4.120 -0.000 0.000 0.255 591 V C 1.050 177.257 176.094 0.189 0.000 1.088 591 V CA 0.457 62.897 62.300 0.233 0.000 1.109 591 V CB -0.501 31.508 31.823 0.310 0.000 0.724 591 V HN 0.188 nan 8.190 nan 0.000 0.471 592 L N 0.849 122.099 121.223 0.044 0.000 2.334 592 L HA 0.641 4.981 4.340 -0.000 0.000 0.270 592 L C -0.376 176.472 176.870 -0.036 0.000 1.018 592 L CA -0.395 54.398 54.840 -0.079 0.000 0.811 592 L CB 1.776 43.726 42.059 -0.181 0.000 1.271 592 L HN 0.267 nan 8.230 nan 0.000 0.443 593 Q N 1.061 120.827 119.800 -0.056 0.000 2.331 593 Q HA 0.524 4.864 4.340 -0.000 0.000 0.272 593 Q C -1.476 174.508 176.000 -0.025 0.000 1.062 593 Q CA -0.538 55.244 55.803 -0.034 0.000 0.806 593 Q CB 2.586 31.332 28.738 0.013 0.000 1.312 593 Q HN 0.771 nan 8.270 nan 0.000 0.431 594 S N 0.599 116.278 115.700 -0.035 0.000 2.600 594 S HA 0.404 4.874 4.470 -0.000 0.000 0.300 594 S C 0.565 175.205 174.600 0.067 0.000 1.087 594 S CA -0.079 58.134 58.200 0.021 0.000 0.965 594 S CB 1.701 64.888 63.200 -0.021 0.000 1.089 594 S HN 0.719 nan 8.310 nan 0.000 0.496 595 S N 0.965 116.755 115.700 0.151 0.000 2.436 595 S HA 0.011 4.481 4.470 -0.000 0.000 0.228 595 S C 1.359 176.069 174.600 0.183 0.000 1.014 595 S CA 0.245 58.568 58.200 0.205 0.000 0.950 595 S CB -0.540 62.853 63.200 0.322 0.000 0.784 595 S HN 0.495 nan 8.310 nan 0.000 0.504 596 L N 1.514 122.810 121.223 0.122 0.000 2.375 596 L HA 0.390 4.730 4.340 -0.000 0.000 0.215 596 L C 1.934 178.839 176.870 0.059 0.000 1.108 596 L CA 1.158 56.054 54.840 0.093 0.000 0.830 596 L CB -1.280 40.820 42.059 0.068 0.000 0.959 596 L HN 0.590 nan 8.230 nan 0.000 0.457 597 G N 0.138 108.927 108.800 -0.017 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 0.390 175.213 174.900 -0.129 0.000 0.991 597 G CA 0.462 45.457 45.100 -0.175 0.000 0.689 597 G HN 0.553 nan 8.290 nan 0.000 0.522 598 N N 0.502 119.178 118.700 -0.041 0.000 2.371 598 N HA 0.240 4.980 4.740 -0.000 0.000 0.243 598 N C -0.382 175.092 175.510 -0.061 0.000 1.287 598 N CA -0.050 52.994 53.050 -0.009 0.000 0.911 598 N CB 0.608 39.131 38.487 0.060 0.000 1.142 598 N HN 0.116 nan 8.380 nan 0.000 0.451 599 D N 0.578 120.955 120.400 -0.038 0.000 2.359 599 D HA 0.071 4.711 4.640 -0.000 0.000 0.250 599 D C 1.035 177.312 176.300 -0.039 0.000 1.264 599 D CA -0.208 53.759 54.000 -0.055 0.000 0.911 599 D CB 0.020 40.801 40.800 -0.032 0.000 1.056 599 D HN 0.481 nan 8.370 nan 0.000 0.499 600 L N 3.728 124.917 121.223 -0.056 0.000 2.362 600 L HA -0.066 4.274 4.340 -0.000 0.000 0.219 600 L C 2.403 179.262 176.870 -0.018 0.000 1.134 600 L CA 0.449 55.262 54.840 -0.045 0.000 0.807 600 L CB -0.114 41.907 42.059 -0.064 0.000 0.927 600 L HN 0.303 nan 8.230 nan 0.000 0.447 601 R N -0.617 119.885 120.500 0.003 0.000 2.090 601 R HA -0.057 4.283 4.340 -0.000 0.000 0.228 601 R C 2.177 178.491 176.300 0.024 0.000 1.110 601 R CA 0.973 57.093 56.100 0.034 0.000 0.973 601 R CB -0.449 29.893 30.300 0.071 0.000 0.869 601 R HN 0.203 nan 8.270 nan 0.000 0.440 602 V N 1.561 121.484 119.914 0.014 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 0.007 0.000 1.045 602 V CA 1.461 63.769 62.300 0.013 0.000 1.058 602 V CB -0.196 31.633 31.823 0.010 0.000 0.689 602 V HN 0.166 nan 8.190 nan 0.000 0.461 603 D N 0.505 120.904 120.400 -0.002 0.000 2.519 603 D HA 0.229 4.869 4.640 -0.000 0.000 0.238 603 D C 1.613 177.895 176.300 -0.030 0.000 1.192 603 D CA 0.875 54.867 54.000 -0.012 0.000 0.835 603 D CB -0.082 40.710 40.800 -0.014 0.000 0.975 603 D HN 0.457 nan 8.370 nan 0.000 0.490 604 G N 0.610 109.400 108.800 -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 0.643 175.523 174.900 -0.033 0.000 0.986 604 G CA 0.302 45.392 45.100 -0.018 0.000 0.683 604 G HN 0.616 nan 8.290 nan 0.000 0.527 605 A N -0.544 122.247 122.820 -0.049 0.000 2.462 605 A HA 0.743 5.063 4.320 -0.000 0.000 0.243 605 A C 0.656 178.211 177.584 -0.049 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 1.645 nan 8.150 nan 0.000 0.493 606 S N 0.928 116.595 115.700 -0.055 0.000 2.546 606 S HA 0.721 5.191 4.470 -0.000 0.000 0.274 606 S C -1.143 173.427 174.600 -0.049 0.000 1.121 606 S CA -0.519 57.660 58.200 -0.035 0.000 0.887 606 S CB 0.917 64.114 63.200 -0.005 0.000 1.094 606 S HN 1.005 nan 8.310 nan 0.000 0.474 607 I N 2.842 123.370 120.570 -0.069 0.000 2.722 607 I HA 0.604 4.774 4.170 -0.000 0.000 0.295 607 I C -1.565 174.433 176.117 -0.197 0.000 1.161 607 I CA -0.565 60.675 61.300 -0.099 0.000 1.032 607 I CB 1.891 39.794 38.000 -0.161 0.000 1.244 607 I HN 0.732 nan 8.210 nan 0.000 0.421 608 K N 6.672 126.969 120.400 -0.173 0.000 2.468 608 K HA 0.491 4.811 4.320 -0.000 0.000 0.252 608 K C -1.990 174.467 176.600 -0.239 0.000 0.932 608 K CA -0.516 55.634 56.287 -0.228 0.000 0.794 608 K CB 1.572 34.018 32.500 -0.089 0.000 1.241 608 K HN 0.490 nan 8.250 nan 0.000 0.428 609 F N 3.789 123.679 119.950 -0.100 0.000 2.371 609 F HA 0.165 4.692 4.527 0.000 0.000 0.363 609 F C 0.943 176.569 175.800 -0.290 0.000 1.122 609 F CA -0.737 57.085 58.000 -0.296 0.000 1.129 609 F CB 1.255 39.815 39.000 -0.733 0.000 1.173 609 F HN 0.635 nan 8.300 nan 0.000 0.489 610 D N 0.990 121.355 120.400 -0.058 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 -0.034 0.000 0.967 610 D CA 1.145 55.112 54.000 -0.056 0.000 0.848 610 D CB 0.298 41.037 40.800 -0.101 0.000 0.998 610 D HN 0.443 nan 8.370 nan 0.000 0.474 611 S N -0.654 115.001 115.700 -0.074 0.000 2.537 611 S HA 0.596 5.066 4.470 -0.000 0.000 0.270 611 S C -1.025 173.545 174.600 -0.050 0.000 1.142 611 S CA -0.985 57.199 58.200 -0.028 0.000 0.870 611 S CB 2.179 65.369 63.200 -0.016 0.000 1.112 611 S HN 0.119 nan 8.310 nan 0.000 0.466 612 I N 1.828 122.415 120.570 0.029 0.000 2.534 612 I HA 0.700 4.870 4.170 -0.000 0.000 0.288 612 I C -1.312 174.985 176.117 0.300 0.000 1.077 612 I CA -0.365 60.974 61.300 0.066 0.000 1.051 612 I CB 1.127 39.071 38.000 -0.093 0.000 1.234 612 I HN 0.967 nan 8.210 nan 0.000 0.425 613 C N 5.953 125.445 119.300 0.321 0.000 2.771 613 C HA 0.709 5.169 4.460 -0.000 0.000 0.333 613 C C -0.667 174.437 174.990 0.190 0.000 1.267 613 C CA -0.641 58.578 59.018 0.336 0.000 1.721 613 C CB 1.766 29.626 27.740 0.200 0.000 2.222 613 C HN 0.668 nan 8.230 nan 0.000 0.485 614 L N 1.644 122.821 121.223 -0.077 0.000 2.333 614 L HA 0.621 4.961 4.340 -0.000 0.000 0.280 614 L C -1.474 175.368 176.870 -0.046 0.000 1.004 614 L CA -0.039 54.658 54.840 -0.239 0.000 0.820 614 L CB 0.452 42.068 42.059 -0.738 0.000 1.247 614 L HN 0.664 nan 8.230 nan 0.000 0.416 615 Y N 3.578 123.743 120.300 -0.225 0.000 2.446 615 Y HA 0.828 5.378 4.550 -0.000 0.000 0.338 615 Y C 0.133 175.917 175.900 -0.192 0.000 1.055 615 Y CA -0.327 57.621 58.100 -0.253 0.000 1.101 615 Y CB 2.297 40.356 38.460 -0.668 0.000 1.221 615 Y HN 0.777 nan 8.280 nan 0.000 0.460 616 A N 1.591 124.553 122.820 0.237 0.000 2.459 616 A HA 0.732 5.052 4.320 -0.000 0.000 0.296 616 A C -1.134 176.547 177.584 0.161 0.000 1.039 616 A CA -0.694 51.418 52.037 0.124 0.000 0.698 616 A CB 1.113 20.235 19.000 0.204 0.000 1.261 616 A HN 0.586 nan 8.150 nan 0.000 0.405 617 T N 2.070 116.628 114.554 0.007 0.000 2.823 617 T HA 0.676 5.026 4.350 -0.000 0.000 0.279 617 T C -1.057 173.657 174.700 0.023 0.000 0.998 617 T CA 0.081 62.267 62.100 0.144 0.000 0.994 617 T CB 0.327 69.285 68.868 0.150 0.000 0.960 617 T HN 0.331 nan 8.240 nan 0.000 0.448 618 F N 1.931 121.959 119.950 0.130 0.000 2.482 618 F HA 0.508 5.035 4.527 -0.000 0.000 0.331 618 F C 0.039 175.938 175.800 0.166 0.000 1.115 618 F CA -1.848 56.242 58.000 0.151 0.000 0.955 618 F CB 0.913 39.997 39.000 0.139 0.000 1.136 618 F HN 0.531 nan 8.300 nan 0.000 0.452 619 F N 6.325 126.408 119.950 0.221 0.000 2.578 619 F HA 0.244 4.771 4.527 -0.000 0.000 0.376 619 F C -1.601 174.305 175.800 0.176 0.000 1.085 619 F CA -1.886 56.206 58.000 0.155 0.000 1.260 619 F CB 0.705 39.771 39.000 0.111 0.000 1.095 619 F HN 0.241 nan 8.300 nan 0.000 0.573 620 P HA 0.003 nan 4.420 nan 0.000 0.225 620 P C -0.264 177.044 177.300 0.013 0.000 1.768 620 P CA 0.006 63.057 63.100 -0.081 0.000 0.943 620 P CB -0.128 31.466 31.700 -0.176 0.000 1.936 621 M N 1.514 121.326 119.600 0.353 0.000 2.249 621 M HA 0.244 4.724 4.480 -0.000 0.000 0.340 621 M C 0.308 176.769 176.300 0.268 0.000 1.166 621 M CA -0.116 55.459 55.300 0.458 0.000 1.115 621 M CB 0.639 33.525 32.600 0.476 0.000 1.606 621 M HN 0.162 nan 8.290 nan 0.000 0.448 622 A N 3.692 126.632 122.820 0.200 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 0.211 0.000 1.061 622 A CA -0.143 51.958 52.037 0.107 0.000 0.758 622 A CB -0.069 18.988 19.000 0.096 0.000 0.991 622 A HN 1.013 nan 8.150 nan 0.000 0.502 623 H N 2.318 121.435 119.070 0.078 0.000 2.422 623 H HA -0.153 4.403 4.556 -0.000 0.000 0.298 623 H C 2.030 177.396 175.328 0.063 0.000 1.098 623 H CA 2.027 58.115 56.048 0.067 0.000 1.315 623 H CB -0.108 29.684 29.762 0.051 0.000 1.382 623 H HN 0.894 nan 8.280 nan 0.000 0.523 624 N N 0.251 119.062 118.700 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 1.595 54.718 53.050 0.122 0.000 0.858 624 N CB -0.788 37.758 38.487 0.099 0.000 0.989 624 N HN 0.204 nan 8.380 nan 0.000 0.426 625 T N 1.219 115.841 114.554 0.113 0.000 2.737 625 T HA 0.096 4.446 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 1.585 63.741 62.100 0.093 0.000 1.144 625 T CB -0.490 68.435 68.868 0.095 0.000 0.866 625 T HN 0.487 nan 8.240 nan 0.000 0.434 626 A N 1.314 124.210 122.820 0.128 0.000 1.908 626 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 626 A C 2.575 180.207 177.584 0.081 0.000 1.181 626 A CA 2.199 54.306 52.037 0.117 0.000 0.627 626 A CB -1.156 17.939 19.000 0.160 0.000 0.818 626 A HN 0.458 nan 8.150 nan 0.000 0.445 627 S N -1.139 114.608 115.700 0.078 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 0.047 0.000 1.033 627 S CA 2.306 60.539 58.200 0.054 0.000 1.011 627 S CB -0.607 62.626 63.200 0.055 0.000 0.852 627 S HN 0.609 nan 8.310 nan 0.000 0.457 628 T N 2.357 116.941 114.554 0.051 0.000 2.812 628 T HA 0.011 4.361 4.350 -0.000 0.000 0.264 628 T C 1.681 176.400 174.700 0.032 0.000 1.042 628 T CA 1.290 63.414 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 1.631 122.875 121.223 0.035 0.000 2.083 629 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 629 L C 2.417 179.301 176.870 0.024 0.000 1.083 629 L CA 1.916 56.771 54.840 0.024 0.000 0.752 629 L CB -0.609 41.464 42.059 0.024 0.000 0.899 629 L HN 0.320 nan 8.230 nan 0.000 0.433 630 E N -0.365 119.854 120.200 0.032 0.000 2.077 630 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 630 E C 2.074 178.683 176.600 0.015 0.000 0.989 630 E CA 1.222 57.638 56.400 0.028 0.000 0.800 630 E CB -0.240 29.482 29.700 0.036 0.000 0.746 630 E HN 0.587 nan 8.360 nan 0.000 0.452 631 A N 1.091 123.922 122.820 0.017 0.000 1.908 631 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 631 A C 2.266 179.853 177.584 0.006 0.000 1.181 631 A CA 1.859 53.902 52.037 0.010 0.000 0.627 631 A CB -0.546 18.464 19.000 0.017 0.000 0.818 631 A HN 0.351 nan 8.150 nan 0.000 0.445 632 M N -0.691 118.915 119.600 0.009 0.000 2.132 632 M HA -0.053 4.427 4.480 -0.000 0.000 0.263 632 M C 1.829 178.132 176.300 0.005 0.000 1.065 632 M CA 1.264 56.569 55.300 0.007 0.000 1.122 632 M CB -0.446 32.158 32.600 0.007 0.000 1.365 632 M HN 0.326 nan 8.290 nan 0.000 0.411 633 L N -0.654 120.572 121.223 0.004 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 -0.004 0.000 1.153 633 L CA 0.500 55.342 54.840 0.004 0.000 0.851 633 L CB -0.468 41.596 42.059 0.007 0.000 0.959 633 L HN 0.264 nan 8.230 nan 0.000 0.451 634 R N -0.429 120.059 120.500 -0.020 0.000 2.297 634 R HA 0.081 4.421 4.340 -0.000 0.000 0.197 634 R C 0.050 176.329 176.300 -0.035 0.000 0.943 634 R CA -0.087 55.973 56.100 -0.067 0.000 1.038 634 R CB 0.082 30.326 30.300 -0.094 0.000 0.957 634 R HN 0.345 nan 8.270 nan 0.000 0.484 635 N N 1.638 120.349 118.700 0.018 0.000 2.514 635 N HA -0.026 4.714 4.740 -0.000 0.000 0.277 635 N C 0.145 175.722 175.510 0.113 0.000 1.126 635 N CA 0.107 53.193 53.050 0.059 0.000 0.978 635 N CB 1.333 39.838 38.487 0.029 0.000 1.106 635 N HN 0.110 nan 8.380 nan 0.000 0.461 636 D N -0.357 120.133 120.400 0.151 0.000 2.221 636 D HA -0.184 4.456 4.640 -0.000 0.000 0.204 636 D C 1.501 177.803 176.300 0.002 0.000 0.982 636 D CA 1.173 55.205 54.000 0.054 0.000 0.857 636 D CB -0.221 40.470 40.800 -0.182 0.000 0.934 636 D HN 0.522 nan 8.370 nan 0.000 0.475 637 T N -0.618 113.937 114.554 0.003 0.000 2.833 637 T HA -0.150 4.199 4.350 -0.000 0.000 0.269 637 T C 1.099 175.793 174.700 -0.010 0.000 1.054 637 T CA 0.992 63.085 62.100 -0.011 0.000 1.135 637 T CB -0.391 68.472 68.868 -0.008 0.000 0.869 637 T HN 0.099 nan 8.240 nan 0.000 0.466 638 N N 1.885 120.588 118.700 0.006 0.000 2.320 638 N HA 0.115 4.855 4.740 -0.000 0.000 0.237 638 N C -0.891 174.621 175.510 0.004 0.000 1.129 638 N CA -0.143 52.905 53.050 -0.002 0.000 0.854 638 N CB 0.252 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 1.483 121.893 120.400 0.015 0.000 2.423 639 D HA 0.045 4.685 4.640 -0.000 0.000 0.238 639 D C 0.745 177.020 176.300 -0.042 0.000 1.142 639 D CA 0.611 54.628 54.000 0.028 0.000 0.884 639 D CB 1.181 42.000 40.800 0.031 0.000 1.199 639 D HN 0.118 nan 8.370 nan 0.000 0.438 640 Q N 0.154 119.925 119.800 -0.048 0.000 2.312 640 Q HA 0.514 4.854 4.340 -0.000 0.000 0.236 640 Q C -0.338 175.485 176.000 -0.295 0.000 0.965 640 Q CA -0.460 55.231 55.803 -0.188 0.000 0.894 640 Q CB 1.229 29.923 28.738 -0.073 0.000 1.225 640 Q HN 0.512 nan 8.270 nan 0.000 0.478 641 S N 0.388 115.686 115.700 -0.670 0.000 2.533 641 S HA 0.758 5.228 4.470 -0.000 0.000 0.271 641 S C -1.373 172.722 174.600 -0.843 0.000 1.143 641 S CA -0.849 57.047 58.200 -0.506 0.000 0.891 641 S CB 0.786 63.847 63.200 -0.230 0.000 1.105 641 S HN 0.411 nan 8.310 nan 0.000 0.468 642 F N 1.420 121.408 119.950 0.065 0.000 2.613 642 F HA 0.660 5.187 4.527 0.000 0.000 0.314 642 F C -0.145 175.783 175.800 0.212 0.000 1.075 642 F CA -0.778 57.300 58.000 0.131 0.000 0.945 642 F CB 1.909 40.998 39.000 0.150 0.000 1.310 642 F HN 0.830 nan 8.300 nan 0.000 0.467 643 N N -0.144 118.743 118.700 0.312 0.000 2.229 643 N HA 0.268 5.008 4.740 -0.000 0.000 0.298 643 N C -1.864 173.526 175.510 -0.202 0.000 1.114 643 N CA -0.611 52.452 53.050 0.022 0.000 0.776 643 N CB 2.289 40.781 38.487 0.009 0.000 1.501 643 N HN 0.632 nan 8.380 nan 0.000 0.474 644 D N 0.250 120.152 120.400 -0.830 0.000 2.424 644 D HA -0.013 4.627 4.640 -0.000 0.000 0.244 644 D C 0.901 177.048 176.300 -0.254 0.000 1.134 644 D CA -0.109 53.477 54.000 -0.689 0.000 0.881 644 D CB 0.563 40.783 40.800 -0.966 0.000 1.191 644 D HN 0.501 nan 8.370 nan 0.000 0.445 645 Y N 3.624 123.817 120.300 -0.178 0.000 2.145 645 Y HA -0.161 4.389 4.550 -0.000 0.000 0.286 645 Y C 1.745 177.552 175.900 -0.155 0.000 1.145 645 Y CA 1.434 59.456 58.100 -0.131 0.000 1.148 645 Y CB -0.255 38.151 38.460 -0.089 0.000 0.981 645 Y HN 0.531 nan 8.280 nan 0.000 0.507 646 L N 0.528 121.720 121.223 -0.052 0.000 2.083 646 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 646 L C 1.125 177.851 176.870 -0.240 0.000 1.083 646 L CA 1.749 56.513 54.840 -0.127 0.000 0.752 646 L CB -0.847 41.190 42.059 -0.036 0.000 0.899 646 L HN 0.217 nan 8.230 nan 0.000 0.433 647 S N -0.050 115.494 115.700 -0.260 0.000 3.356 647 S HA 0.011 4.481 4.470 -0.000 0.000 0.376 647 S C 0.057 174.527 174.600 -0.216 0.000 0.924 647 S CA 0.498 58.528 58.200 -0.284 0.000 1.316 647 S CB -1.627 61.338 63.200 -0.391 0.000 0.922 647 S HN 0.944 nan 8.310 nan 0.000 0.553 648 A N 0.553 123.297 122.820 -0.126 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 -0.001 0.000 1.075 648 A CA -0.090 51.906 52.037 -0.068 0.000 0.680 648 A CB 1.065 20.023 19.000 -0.069 0.000 1.279 648 A HN 1.501 nan 8.150 nan 0.000 0.411 649 A N 1.615 124.432 122.820 -0.005 0.000 2.274 649 A HA 0.637 4.957 4.320 -0.000 0.000 0.309 649 A C -0.390 177.275 177.584 0.136 0.000 1.226 649 A CA -0.633 51.404 52.037 -0.001 0.000 0.853 649 A CB 0.100 18.944 19.000 -0.261 0.000 1.146 649 A HN 0.670 nan 8.150 nan 0.000 0.518 650 N N 3.355 122.179 118.700 0.207 0.000 2.425 650 N HA 0.438 5.178 4.740 -0.000 0.000 0.268 650 N C -0.883 174.815 175.510 0.312 0.000 0.991 650 N CA -0.227 53.042 53.050 0.366 0.000 0.931 650 N CB 1.423 40.168 38.487 0.430 0.000 1.130 650 N HN 0.540 nan 8.380 nan 0.000 0.493 651 M N 2.463 122.300 119.600 0.395 0.000 2.456 651 M HA 0.514 4.994 4.480 -0.000 0.000 0.324 651 M C -0.558 175.821 176.300 0.131 0.000 1.124 651 M CA -0.563 54.857 55.300 0.200 0.000 0.959 651 M CB 1.660 34.485 32.600 0.375 0.000 1.692 651 M HN 0.238 nan 8.290 nan 0.000 0.444 652 L N 3.054 124.150 121.223 -0.213 0.000 2.381 652 L HA 0.547 4.887 4.340 -0.000 0.000 0.274 652 L C -1.598 175.040 176.870 -0.387 0.000 0.988 652 L CA -0.629 54.118 54.840 -0.154 0.000 0.824 652 L CB 1.662 43.619 42.059 -0.171 0.000 1.263 652 L HN 0.569 nan 8.230 nan 0.000 0.410 653 Y N 3.436 123.770 120.300 0.057 0.000 2.341 653 Y HA 0.427 4.977 4.550 -0.000 0.000 0.338 653 Y C -2.118 173.784 175.900 0.004 0.000 0.965 653 Y CA -2.663 55.457 58.100 0.033 0.000 1.108 653 Y CB 1.566 40.046 38.460 0.035 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 -0.560 176.771 177.300 0.052 0.000 1.216 654 P CA 0.225 63.358 63.100 0.055 0.000 0.771 654 P CB 1.410 33.127 31.700 0.028 0.000 0.864 655 I N 4.746 125.327 120.570 0.019 0.000 2.437 655 I HA 0.257 4.427 4.170 -0.000 0.000 0.279 655 I C -2.277 173.834 176.117 -0.011 0.000 1.028 655 I CA -2.776 58.523 61.300 -0.003 0.000 1.142 655 I CB 1.646 39.626 38.000 -0.033 0.000 1.266 655 I HN 0.062 nan 8.210 nan 0.000 0.461 656 P HA -0.015 nan 4.420 nan 0.000 0.267 656 P C -0.072 177.220 177.300 -0.014 0.000 1.201 656 P CA -0.127 62.968 63.100 -0.009 0.000 0.775 656 P CB 0.576 32.274 31.700 -0.004 0.000 0.854 657 A N 2.869 125.681 122.820 -0.013 0.000 2.567 657 A HA -0.019 4.301 4.320 -0.000 0.000 0.240 657 A C 0.914 178.491 177.584 -0.011 0.000 1.053 657 A CA 0.799 52.829 52.037 -0.012 0.000 0.755 657 A CB -1.382 17.613 19.000 -0.008 0.000 0.978 657 A HN 0.829 nan 8.150 nan 0.000 0.507 658 N N -0.831 117.861 118.700 -0.012 0.000 2.900 658 N HA -0.223 4.517 4.740 -0.000 0.000 0.240 658 N C 0.373 175.874 175.510 -0.015 0.000 0.953 658 N CA 0.543 53.586 53.050 -0.011 0.000 0.950 658 N CB -1.511 36.974 38.487 -0.003 0.000 1.102 658 N HN 1.221 nan 8.380 nan 0.000 0.593 659 A N 0.086 122.895 122.820 -0.019 0.000 2.483 659 A HA 0.367 4.687 4.320 -0.000 0.000 0.238 659 A C 1.204 178.771 177.584 -0.029 0.000 1.070 659 A CA 1.025 53.050 52.037 -0.019 0.000 0.770 659 A CB 0.492 19.483 19.000 -0.016 0.000 1.008 659 A HN 0.231 nan 8.150 nan 0.000 0.497 660 T N 0.623 115.163 114.554 -0.024 0.000 2.964 660 T HA 0.122 4.472 4.350 -0.000 0.000 0.249 660 T C 0.538 175.224 174.700 -0.024 0.000 1.000 660 T CA 0.358 62.440 62.100 -0.030 0.000 0.992 660 T CB -0.123 68.732 68.868 -0.023 0.000 1.087 660 T HN 0.711 nan 8.240 nan 0.000 0.489 661 N N 1.172 119.865 118.700 -0.013 0.000 2.392 661 N HA 0.463 5.203 4.740 -0.000 0.000 0.283 661 N C -1.469 174.047 175.510 0.009 0.000 1.003 661 N CA -0.262 52.787 53.050 -0.002 0.000 0.892 661 N CB 1.480 39.964 38.487 -0.005 0.000 1.193 661 N HN -0.155 nan 8.380 nan 0.000 0.487 662 V N 5.688 125.623 119.914 0.035 0.000 2.340 662 V HA 0.472 4.592 4.120 -0.000 0.000 0.277 662 V C -2.281 173.853 176.094 0.065 0.000 1.017 662 V CA -1.218 61.107 62.300 0.041 0.000 0.820 662 V CB 1.229 33.066 31.823 0.023 0.000 1.028 662 V HN 0.669 nan 8.190 nan 0.000 0.436 663 P HA 0.585 nan 4.420 nan 0.000 0.300 663 P C -0.853 176.433 177.300 -0.022 0.000 1.326 663 P CA -0.450 62.655 63.100 0.008 0.000 0.844 663 P CB 2.155 33.856 31.700 0.001 0.000 0.992 664 I N -0.532 120.006 120.570 -0.053 0.000 2.498 664 I HA 0.634 4.804 4.170 -0.000 0.000 0.290 664 I C -0.810 175.297 176.117 -0.018 0.000 1.032 664 I CA -0.733 60.491 61.300 -0.127 0.000 1.073 664 I CB 2.374 40.112 38.000 -0.436 0.000 1.251 664 I HN 0.111 nan 8.210 nan 0.000 0.426 665 S N 6.407 122.134 115.700 0.044 0.000 2.578 665 S HA 0.745 5.215 4.470 -0.000 0.000 0.301 665 S C -0.566 174.118 174.600 0.140 0.000 1.091 665 S CA -0.725 57.523 58.200 0.080 0.000 1.032 665 S CB 1.388 64.629 63.200 0.068 0.000 1.064 665 S HN 0.561 nan 8.310 nan 0.000 0.508 666 I N 5.336 125.997 120.570 0.152 0.000 2.521 666 I HA 0.313 4.483 4.170 -0.000 0.000 0.277 666 I C -2.239 173.963 176.117 0.142 0.000 1.054 666 I CA -2.107 59.298 61.300 0.176 0.000 1.117 666 I CB 1.292 39.460 38.000 0.279 0.000 1.217 666 I HN 0.492 nan 8.210 nan 0.000 0.469 667 P HA -0.126 nan 4.420 nan 0.000 0.268 667 P C 0.336 177.678 177.300 0.070 0.000 1.171 667 P CA 0.417 63.552 63.100 0.059 0.000 0.761 667 P CB 0.666 32.377 31.700 0.018 0.000 0.786 668 S N 1.814 117.563 115.700 0.083 0.000 2.593 668 S HA 0.102 4.572 4.470 -0.000 0.000 0.300 668 S C 0.466 175.081 174.600 0.024 0.000 1.267 668 S CA 0.125 58.394 58.200 0.114 0.000 1.065 668 S CB -0.416 62.832 63.200 0.081 0.000 0.807 668 S HN 0.768 nan 8.310 nan 0.000 0.499 669 R N 2.798 123.324 120.500 0.044 0.000 2.762 669 R HA 0.469 4.809 4.340 -0.000 0.000 0.271 669 R C -1.407 174.768 176.300 -0.207 0.000 1.038 669 R CA -1.020 54.954 56.100 -0.210 0.000 0.906 669 R CB 0.240 30.218 30.300 -0.537 0.000 1.259 669 R HN 0.524 nan 8.270 nan 0.000 0.457 670 N N -0.386 118.108 118.700 -0.342 0.000 2.499 670 N HA 0.260 5.000 4.740 -0.000 0.000 0.281 670 N C -0.981 174.333 175.510 -0.326 0.000 1.098 670 N CA -0.507 52.438 53.050 -0.175 0.000 0.979 670 N CB 0.626 39.039 38.487 -0.123 0.000 1.121 670 N HN 0.561 nan 8.380 nan 0.000 0.466 671 W N 2.331 123.774 121.300 0.238 0.000 2.862 671 W HA 0.487 5.147 4.660 -0.000 0.000 0.376 671 W C 0.541 177.168 176.519 0.181 0.000 1.028 671 W CA -0.534 56.898 57.345 0.144 0.000 1.757 671 W CB -0.251 29.249 29.460 0.067 0.000 1.128 671 W HN 0.499 nan 8.180 nan 0.000 0.566 672 A N 1.068 124.096 122.820 0.346 0.000 2.565 672 A HA 0.367 4.687 4.320 -0.000 0.000 0.237 672 A C 1.570 179.291 177.584 0.228 0.000 1.053 672 A CA 1.265 53.461 52.037 0.265 0.000 0.755 672 A CB -0.084 19.023 19.000 0.179 0.000 0.980 672 A HN 1.181 nan 8.150 nan 0.000 0.506 673 A N 1.211 124.161 122.820 0.217 0.000 3.396 673 A HA -0.196 4.124 4.320 -0.000 0.000 0.267 673 A C 0.391 178.182 177.584 0.345 0.000 1.139 673 A CA 0.942 53.130 52.037 0.253 0.000 1.115 673 A CB -2.597 16.522 19.000 0.198 0.000 1.133 673 A HN 2.039 nan 8.150 nan 0.000 0.920 674 F N 1.426 121.449 119.950 0.123 0.000 2.608 674 F HA 0.378 4.905 4.527 -0.000 0.000 0.380 674 F C 1.307 177.104 175.800 -0.005 0.000 1.083 674 F CA 0.613 58.621 58.000 0.014 0.000 1.266 674 F CB 0.368 39.284 39.000 -0.140 0.000 1.076 674 F HN 0.257 nan 8.300 nan 0.000 0.574 675 R N 3.154 123.252 120.500 -0.670 0.000 2.189 675 R HA 0.413 4.753 4.340 -0.000 0.000 0.203 675 R C 0.779 176.597 176.300 -0.802 0.000 1.012 675 R CA 0.314 56.072 56.100 -0.570 0.000 1.015 675 R CB 0.054 30.075 30.300 -0.465 0.000 0.938 675 R HN 0.915 nan 8.270 nan 0.000 0.472 676 G N -0.699 107.097 108.800 -1.673 0.000 2.340 676 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.282 676 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.282 676 G C -1.838 172.549 174.900 -0.855 0.000 1.312 676 G CA -0.975 43.411 45.100 -1.188 0.000 0.942 676 G HN 0.025 nan 8.290 nan 0.000 0.495 677 W N -0.043 121.168 121.300 -0.147 0.000 2.781 677 W HA 0.756 5.416 4.660 -0.000 0.000 0.345 677 W C 0.118 176.594 176.519 -0.071 0.000 1.085 677 W CA -0.268 57.031 57.345 -0.077 0.000 1.198 677 W CB 2.436 31.899 29.460 0.005 0.000 1.423 677 W HN 1.284 nan 8.180 nan 0.000 0.532 678 A N 2.736 125.641 122.820 0.141 0.000 2.486 678 A HA 0.938 5.258 4.320 -0.000 0.000 0.300 678 A C -1.655 175.913 177.584 -0.027 0.000 1.048 678 A CA -0.551 51.453 52.037 -0.054 0.000 0.696 678 A CB 1.672 20.549 19.000 -0.206 0.000 1.278 678 A HN 0.672 nan 8.150 nan 0.000 0.405 679 F N -0.907 118.901 119.950 -0.237 0.000 2.719 679 F HA 0.878 5.405 4.527 -0.000 0.000 0.309 679 F C -0.304 175.276 175.800 -0.366 0.000 1.138 679 F CA -0.384 57.424 58.000 -0.320 0.000 0.943 679 F CB 1.138 40.019 39.000 -0.197 0.000 1.304 679 F HN 0.711 nan 8.300 nan 0.000 0.445 680 T N -0.432 114.075 114.554 -0.078 0.000 2.626 680 T HA 0.606 4.956 4.350 -0.000 0.000 0.299 680 T C -1.713 173.273 174.700 0.476 0.000 1.181 680 T CA -1.191 60.926 62.100 0.028 0.000 1.053 680 T CB 1.995 70.645 68.868 -0.363 0.000 1.566 680 T HN 0.948 nan 8.240 nan 0.000 0.486 681 R N 0.117 120.847 120.500 0.383 0.000 2.575 681 R HA 0.742 5.082 4.340 -0.000 0.000 0.293 681 R C -1.768 174.613 176.300 0.135 0.000 0.983 681 R CA -0.682 55.554 56.100 0.227 0.000 0.887 681 R CB 1.009 31.313 30.300 0.006 0.000 1.184 681 R HN 0.613 nan 8.270 nan 0.000 0.445 682 L N 2.679 123.980 121.223 0.131 0.000 2.323 682 L HA 0.579 4.919 4.340 -0.000 0.000 0.265 682 L C -0.337 176.553 176.870 0.033 0.000 1.012 682 L CA -1.171 53.735 54.840 0.109 0.000 0.820 682 L CB 2.211 44.379 42.059 0.182 0.000 1.334 682 L HN 0.462 nan 8.230 nan 0.000 0.427 683 K N 0.027 120.443 120.400 0.027 0.000 2.201 683 K HA 0.269 4.589 4.320 -0.000 0.000 0.278 683 K C 0.536 177.128 176.600 -0.014 0.000 1.027 683 K CA -0.396 55.892 56.287 0.003 0.000 0.909 683 K CB 1.758 34.267 32.500 0.016 0.000 1.062 683 K HN 0.559 nan 8.250 nan 0.000 0.465 684 T N 2.347 116.889 114.554 -0.020 0.000 2.720 684 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 684 T C 1.336 176.024 174.700 -0.020 0.000 1.037 684 T CA 1.417 63.503 62.100 -0.022 0.000 1.144 684 T CB 0.001 68.856 68.868 -0.022 0.000 0.864 684 T HN 0.520 nan 8.240 nan 0.000 0.444 685 K N 0.916 121.282 120.400 -0.057 0.000 2.211 685 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 685 K C 1.798 178.259 176.600 -0.231 0.000 1.047 685 K CA 1.099 57.325 56.287 -0.102 0.000 0.935 685 K CB -0.041 32.379 32.500 -0.134 0.000 0.728 685 K HN 0.518 nan 8.250 nan 0.000 0.452 686 E N 0.137 120.170 120.200 -0.279 0.000 2.444 686 E HA 0.030 4.380 4.350 -0.000 0.000 0.191 686 E C -0.525 176.129 176.600 0.090 0.000 1.041 686 E CA 0.143 56.314 56.400 -0.382 0.000 0.883 686 E CB 0.800 30.282 29.700 -0.364 0.000 1.024 686 E HN -0.007 nan 8.360 nan 0.000 0.470 687 T N 3.831 118.446 114.554 0.102 0.000 2.912 687 T HA 0.217 4.567 4.350 -0.000 0.000 0.326 687 T C -2.414 172.238 174.700 -0.080 0.000 1.080 687 T CA -1.491 60.619 62.100 0.017 0.000 1.000 687 T CB 1.350 70.169 68.868 -0.081 0.000 1.008 687 T HN 0.007 nan 8.240 nan 0.000 0.473 688 P HA 0.121 nan 4.420 nan 0.000 0.269 688 P C -0.097 176.982 177.300 -0.369 0.000 1.215 688 P CA -0.286 62.411 63.100 -0.673 0.000 0.780 688 P CB 0.763 31.730 31.700 -1.222 0.000 0.898 689 S N 2.534 118.067 115.700 -0.279 0.000 2.455 689 S HA 0.256 4.726 4.470 -0.000 0.000 0.278 689 S C 0.299 174.789 174.600 -0.183 0.000 1.216 689 S CA -0.653 57.433 58.200 -0.189 0.000 1.055 689 S CB -0.796 62.343 63.200 -0.103 0.000 0.939 689 S HN 0.270 nan 8.310 nan 0.000 0.494 690 L N 4.147 125.274 121.223 -0.159 0.000 2.569 690 L HA 0.565 4.905 4.340 -0.000 0.000 0.247 690 L C 1.851 178.699 176.870 -0.036 0.000 1.135 690 L CA -0.007 54.784 54.840 -0.082 0.000 0.812 690 L CB 0.157 42.186 42.059 -0.051 0.000 1.431 690 L HN 0.932 nan 8.230 nan 0.000 0.499 691 G N 0.050 108.861 108.800 0.018 0.000 2.396 691 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.242 691 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.242 691 G C 0.269 175.175 174.900 0.009 0.000 1.069 691 G CA 0.379 45.489 45.100 0.016 0.000 0.633 691 G HN 0.756 nan 8.290 nan 0.000 0.517 692 S N 0.463 116.161 115.700 -0.003 0.000 2.541 692 S HA 0.606 5.076 4.470 -0.000 0.000 0.283 692 S C 0.750 175.351 174.600 0.003 0.000 1.196 692 S CA 0.433 58.624 58.200 -0.015 0.000 1.062 692 S CB 1.905 65.081 63.200 -0.040 0.000 1.009 692 S HN 1.669 nan 8.310 nan 0.000 0.502 693 G N 1.963 110.753 108.800 -0.016 0.000 3.003 693 G HA2 0.383 4.343 3.960 -0.000 0.000 0.266 693 G HA3 0.383 4.343 3.960 -0.000 0.000 0.266 693 G C -0.389 174.195 174.900 -0.526 0.000 0.755 693 G CA -0.153 44.927 45.100 -0.033 0.000 2.061 693 G HN 1.127 nan 8.290 nan 0.000 0.599 694 Y N -0.661 119.412 120.300 -0.378 0.000 2.871 694 Y HA -0.089 4.461 4.550 -0.000 0.000 0.376 694 Y C -1.899 173.844 175.900 -0.262 0.000 0.927 694 Y CA -0.914 56.932 58.100 -0.423 0.000 1.864 694 Y CB 0.129 38.053 38.460 -0.894 0.000 1.824 694 Y HN 0.384 nan 8.280 nan 0.000 0.655 695 D N 4.661 124.447 120.400 -1.023 0.000 2.498 695 D HA 0.531 5.171 4.640 -0.000 0.000 0.247 695 D C -2.408 173.479 176.300 -0.687 0.000 1.070 695 D CA -1.868 51.754 54.000 -0.629 0.000 0.842 695 D CB 2.530 43.088 40.800 -0.403 0.000 1.361 695 D HN 0.298 nan 8.370 nan 0.000 0.484 696 P HA 0.188 nan 4.420 nan 0.000 0.272 696 P C -0.263 176.669 177.300 -0.613 0.000 1.408 696 P CA 0.123 62.954 63.100 -0.448 0.000 0.996 696 P CB 0.208 31.547 31.700 -0.601 0.000 1.481 697 Y N -2.177 118.127 120.300 0.008 0.000 2.830 697 Y HA 0.263 4.813 4.550 -0.000 0.000 0.255 697 Y C 0.031 175.984 175.900 0.087 0.000 1.130 697 Y CA -0.784 57.337 58.100 0.035 0.000 1.217 697 Y CB 0.418 38.891 38.460 0.022 0.000 1.296 697 Y HN -0.167 nan 8.280 nan 0.000 0.571 698 Y N 2.618 122.916 120.300 -0.003 0.000 2.595 698 Y HA 0.269 4.819 4.550 -0.000 0.000 0.336 698 Y C 0.469 176.387 175.900 0.031 0.000 0.996 698 Y CA -0.569 57.531 58.100 0.001 0.000 1.260 698 Y CB 0.739 39.149 38.460 -0.082 0.000 1.108 698 Y HN 0.124 nan 8.280 nan 0.000 0.509 699 T N 2.545 117.010 114.554 -0.150 0.000 3.327 699 T HA 0.242 4.592 4.350 -0.000 0.000 0.244 699 T C -1.117 173.489 174.700 -0.158 0.000 1.074 699 T CA -0.435 61.588 62.100 -0.129 0.000 1.156 699 T CB -0.586 68.266 68.868 -0.026 0.000 1.087 699 T HN 0.525 nan 8.240 nan 0.000 0.575 700 Y N 0.978 120.917 120.300 -0.601 0.000 2.513 700 Y HA 0.553 5.103 4.550 -0.000 0.000 0.340 700 Y C -0.092 175.552 175.900 -0.426 0.000 1.055 700 Y CA -0.895 56.926 58.100 -0.465 0.000 1.020 700 Y CB 2.118 40.310 38.460 -0.446 0.000 1.301 700 Y HN 0.209 nan 8.280 nan 0.000 0.453 701 S N 1.907 117.074 115.700 -0.889 0.000 2.952 701 S HA 0.468 4.938 4.470 -0.000 0.000 0.251 701 S C 0.387 174.601 174.600 -0.644 0.000 1.021 701 S CA -0.012 57.838 58.200 -0.583 0.000 1.067 701 S CB -0.004 63.031 63.200 -0.275 0.000 1.002 701 S HN 0.988 nan 8.310 nan 0.000 0.574 702 G N 2.121 110.118 108.800 -1.338 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 0.099 174.977 174.900 -0.037 0.000 1.439 702 G CA -0.127 44.676 45.100 -0.496 0.000 1.056 702 G HN 0.726 nan 8.290 nan 0.000 0.555 703 S N -1.281 114.544 115.700 0.209 0.000 2.576 703 S HA 0.377 4.847 4.470 -0.000 0.000 0.276 703 S C -0.059 174.741 174.600 0.333 0.000 1.339 703 S CA -0.388 57.937 58.200 0.207 0.000 1.039 703 S CB 0.752 64.039 63.200 0.145 0.000 0.902 703 S HN 0.380 nan 8.310 nan 0.000 0.516 704 I N 3.264 123.968 120.570 0.223 0.000 2.503 704 I HA 0.276 4.446 4.170 -0.000 0.000 0.277 704 I C -1.974 174.200 176.117 0.096 0.000 1.078 704 I CA -2.318 59.128 61.300 0.244 0.000 1.184 704 I CB 1.375 39.523 38.000 0.245 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 1.570 178.712 177.300 -0.264 0.000 1.154 705 P CA 1.680 64.653 63.100 -0.212 0.000 0.872 705 P CB 0.027 31.749 31.700 0.036 0.000 0.790 706 Y N -0.210 120.081 120.300 -0.015 0.000 2.256 706 Y HA -0.194 4.356 4.550 -0.000 0.000 0.288 706 Y C 1.841 177.750 175.900 0.016 0.000 1.155 706 Y CA 1.564 59.690 58.100 0.042 0.000 1.203 706 Y CB -0.563 37.848 38.460 -0.082 0.000 0.980 706 Y HN -0.126 nan 8.280 nan 0.000 0.530 707 L N -0.850 120.366 121.223 -0.012 0.000 2.388 707 L HA 0.058 4.398 4.340 -0.000 0.000 0.209 707 L C 1.538 178.349 176.870 -0.099 0.000 1.061 707 L CA 0.873 55.683 54.840 -0.050 0.000 0.834 707 L CB -0.255 41.859 42.059 0.091 0.000 1.029 707 L HN 0.173 nan 8.230 nan 0.000 0.473 708 D N -0.830 119.488 120.400 -0.137 0.000 2.360 708 D HA 0.099 4.739 4.640 -0.000 0.000 0.210 708 D C 1.441 177.554 176.300 -0.313 0.000 1.047 708 D CA 0.686 54.587 54.000 -0.165 0.000 0.854 708 D CB 0.407 41.143 40.800 -0.106 0.000 0.936 708 D HN 0.181 nan 8.370 nan 0.000 0.514 709 G N 0.465 108.924 108.800 -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 0.673 175.156 174.900 -0.694 0.000 0.981 709 G CA 0.526 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 -0.457 113.693 114.554 -0.673 0.000 3.820 710 T HA 0.555 4.905 4.350 -0.000 0.000 0.224 710 T C 0.617 175.264 174.700 -0.088 0.000 0.869 710 T CA -0.545 61.142 62.100 -0.689 0.000 0.932 710 T CB -0.738 67.487 68.868 -1.072 0.000 1.259 710 T HN 0.301 nan 8.240 nan 0.000 0.676 711 F N 2.483 122.560 119.950 0.211 0.000 2.518 711 F HA 0.304 4.831 4.527 -0.000 0.000 0.359 711 F C 1.065 177.147 175.800 0.469 0.000 1.118 711 F CA -0.679 57.480 58.000 0.265 0.000 1.287 711 F CB 0.439 39.507 39.000 0.112 0.000 1.132 711 F HN 0.520 nan 8.300 nan 0.000 0.587 712 Y N -0.309 120.276 120.300 0.474 0.000 2.957 712 Y HA 0.435 4.985 4.550 -0.000 0.000 0.274 712 Y C -0.408 175.721 175.900 0.383 0.000 1.065 712 Y CA -0.474 57.870 58.100 0.408 0.000 1.273 712 Y CB -0.863 37.830 38.460 0.389 0.000 1.358 712 Y HN 0.416 nan 8.280 nan 0.000 0.585 713 L N 0.926 122.130 121.223 -0.032 0.000 3.014 713 L HA 0.317 4.657 4.340 -0.000 0.000 0.263 713 L C 0.978 177.833 176.870 -0.025 0.000 1.207 713 L CA -0.078 54.676 54.840 -0.144 0.000 1.017 713 L CB 0.109 41.991 42.059 -0.295 0.000 1.360 713 L HN 0.212 nan 8.230 nan 0.000 0.560 714 N N 0.608 119.418 118.700 0.185 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 0.688 0.000 1.022 714 N CA 1.131 54.383 53.050 0.337 0.000 0.883 714 N CB -0.122 38.191 38.487 -0.291 0.000 0.965 714 N HN 0.589 nan 8.380 nan 0.000 0.438 715 H N -0.226 119.026 119.070 0.304 0.000 2.559 715 H HA 0.075 4.631 4.556 -0.000 0.000 0.273 715 H C 1.027 176.385 175.328 0.049 0.000 1.000 715 H CA 1.229 57.269 56.048 -0.012 0.000 1.195 715 H CB -0.623 28.909 29.762 -0.384 0.000 1.368 715 H HN 0.133 nan 8.280 nan 0.000 0.592 716 T N -2.431 111.959 114.554 -0.273 0.000 3.144 716 T HA 0.158 4.508 4.350 -0.000 0.000 0.249 716 T C 0.118 174.709 174.700 -0.181 0.000 1.089 716 T CA -0.554 61.389 62.100 -0.263 0.000 0.989 716 T CB -0.736 67.884 68.868 -0.413 0.000 0.992 716 T HN 0.012 nan 8.240 nan 0.000 0.540 717 F N 1.419 121.423 119.950 0.090 0.000 2.394 717 F HA 0.596 5.123 4.527 0.000 0.000 0.340 717 F C 1.371 177.147 175.800 -0.039 0.000 1.105 717 F CA -1.139 56.907 58.000 0.076 0.000 1.124 717 F CB 1.815 40.924 39.000 0.182 0.000 1.145 717 F HN -0.103 nan 8.300 nan 0.000 0.505 718 K N 2.237 122.685 120.400 0.081 0.000 2.161 718 K HA 0.186 4.506 4.320 -0.000 0.000 0.205 718 K C -0.507 176.035 176.600 -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 -0.022 0.000 0.866 718 K HN 0.648 nan 8.250 nan 0.000 0.461 719 K N -1.341 119.005 120.400 -0.090 0.000 2.579 719 K HA 0.476 4.796 4.320 -0.000 0.000 0.284 719 K C -1.584 174.887 176.600 -0.215 0.000 0.990 719 K CA -1.115 55.069 56.287 -0.172 0.000 0.880 719 K CB 2.147 34.566 32.500 -0.134 0.000 1.488 719 K HN -0.174 nan 8.250 nan 0.000 0.425 720 V N 0.195 119.939 119.914 -0.283 0.000 2.623 720 V HA 0.678 4.798 4.120 -0.000 0.000 0.304 720 V C -1.024 174.886 176.094 -0.307 0.000 1.054 720 V CA -0.749 61.239 62.300 -0.519 0.000 0.882 720 V CB 1.483 32.816 31.823 -0.817 0.000 1.002 720 V HN 0.942 nan 8.190 nan 0.000 0.424 721 A N 6.266 128.866 122.820 -0.366 0.000 2.267 721 A HA 0.866 5.186 4.320 -0.000 0.000 0.315 721 A C -0.609 176.820 177.584 -0.259 0.000 1.297 721 A CA -0.392 51.525 52.037 -0.201 0.000 0.865 721 A CB 0.347 19.255 19.000 -0.153 0.000 1.165 721 A HN 0.793 nan 8.150 nan 0.000 0.513 722 I N 2.319 122.803 120.570 -0.144 0.000 2.359 722 I HA 0.442 4.612 4.170 -0.000 0.000 0.294 722 I C -0.123 175.951 176.117 -0.072 0.000 0.987 722 I CA -0.035 61.135 61.300 -0.216 0.000 1.225 722 I CB 2.069 39.931 38.000 -0.229 0.000 1.366 722 I HN 0.555 nan 8.210 nan 0.000 0.466 723 T N 5.484 119.922 114.554 -0.194 0.000 2.916 723 T HA 0.479 4.829 4.350 -0.000 0.000 0.298 723 T C -0.766 173.796 174.700 -0.231 0.000 1.031 723 T CA -0.464 61.585 62.100 -0.086 0.000 0.993 723 T CB 1.259 70.100 68.868 -0.044 0.000 1.045 723 T HN 0.125 nan 8.240 nan 0.000 0.454 724 F N 2.068 122.029 119.950 0.018 0.000 2.347 724 F HA 0.383 4.910 4.527 0.000 0.000 0.366 724 F C 0.895 176.700 175.800 0.008 0.000 1.107 724 F CA -0.241 57.733 58.000 -0.042 0.000 1.058 724 F CB 0.943 39.892 39.000 -0.085 0.000 1.236 724 F HN 0.831 nan 8.300 nan 0.000 0.456 725 D N 2.085 122.586 120.400 0.169 0.000 3.103 725 D HA -0.213 4.427 4.640 -0.000 0.000 0.211 725 D C 0.085 176.438 176.300 0.088 0.000 1.100 725 D CA 1.019 55.104 54.000 0.142 0.000 0.961 725 D CB -0.882 40.013 40.800 0.158 0.000 1.093 725 D HN 0.716 nan 8.370 nan 0.000 0.427 726 S N -2.531 113.205 115.700 0.059 0.000 3.488 726 S HA -0.106 4.364 4.470 -0.000 0.000 0.492 726 S C 0.638 175.265 174.600 0.046 0.000 0.779 726 S CA 1.356 59.578 58.200 0.037 0.000 1.378 726 S CB -1.361 61.858 63.200 0.032 0.000 0.924 726 S HN 0.892 nan 8.310 nan 0.000 0.719 727 S N -0.259 115.472 115.700 0.052 0.000 6.452 727 S HA -0.060 4.410 4.470 -0.000 0.000 0.061 727 S C 0.033 174.676 174.600 0.072 0.000 1.296 727 S CA 0.101 58.332 58.200 0.052 0.000 1.207 727 S CB -0.683 62.547 63.200 0.050 0.000 1.220 727 S HN 1.512 nan 8.310 nan 0.000 0.486 728 V N 3.743 123.722 119.914 0.108 0.000 2.364 728 V HA 0.416 4.536 4.120 -0.000 0.000 0.252 728 V C 0.510 176.726 176.094 0.203 0.000 1.075 728 V CA 0.263 62.650 62.300 0.145 0.000 1.033 728 V CB 0.567 32.490 31.823 0.167 0.000 1.116 728 V HN 0.511 nan 8.190 nan 0.000 0.488 729 S N 5.151 120.947 115.700 0.159 0.000 2.576 729 S HA 0.356 4.826 4.470 -0.000 0.000 0.276 729 S C -0.781 174.006 174.600 0.312 0.000 1.339 729 S CA -0.358 57.951 58.200 0.182 0.000 1.039 729 S CB 0.444 63.695 63.200 0.085 0.000 0.902 729 S HN 0.678 nan 8.310 nan 0.000 0.516 730 W N 5.245 126.656 121.300 0.185 0.000 2.844 730 W HA 0.525 5.185 4.660 -0.000 0.000 0.340 730 W C -2.083 174.620 176.519 0.306 0.000 1.093 730 W CA -2.106 55.417 57.345 0.297 0.000 1.212 730 W CB 1.647 31.433 29.460 0.543 0.000 1.422 730 W HN 0.504 nan 8.180 nan 0.000 0.515 731 P HA 0.131 nan 4.420 nan 0.000 0.245 731 P C 0.906 177.943 177.300 -0.438 0.000 1.212 731 P CA 1.300 63.565 63.100 -1.392 0.000 0.774 731 P CB 0.207 30.941 31.700 -1.610 0.000 0.999 732 G N 2.001 110.686 108.800 -0.192 0.000 2.594 732 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.297 732 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.297 732 G C 0.430 175.253 174.900 -0.129 0.000 1.273 732 G CA 0.371 45.413 45.100 -0.096 0.000 0.974 732 G HN 0.315 nan 8.290 nan 0.000 0.552 733 N N 0.263 118.914 118.700 -0.081 0.000 2.681 733 N HA -0.212 4.528 4.740 -0.000 0.000 0.250 733 N C 0.631 176.096 175.510 -0.075 0.000 1.133 733 N CA 2.500 55.502 53.050 -0.079 0.000 0.732 733 N CB -0.886 37.538 38.487 -0.104 0.000 1.107 733 N HN 1.554 nan 8.380 nan 0.000 0.559 734 D N -1.402 118.956 120.400 -0.070 0.000 2.751 734 D HA -0.223 4.417 4.640 -0.000 0.000 0.233 734 D C 1.157 177.424 176.300 -0.056 0.000 1.149 734 D CA 1.161 55.128 54.000 -0.056 0.000 0.682 734 D CB -0.178 40.600 40.800 -0.036 0.000 1.068 734 D HN 0.396 nan 8.370 nan 0.000 0.429 735 R N -0.525 119.926 120.500 -0.082 0.000 2.062 735 R HA 0.119 4.459 4.340 -0.000 0.000 0.226 735 R C 1.102 177.389 176.300 -0.021 0.000 1.125 735 R CA 0.573 56.639 56.100 -0.057 0.000 0.966 735 R CB -0.085 30.159 30.300 -0.094 0.000 0.861 735 R HN 0.330 nan 8.270 nan 0.000 0.433 736 L N 1.257 122.438 121.223 -0.070 0.000 2.421 736 L HA 0.166 4.506 4.340 -0.000 0.000 0.263 736 L C 1.935 178.800 176.870 -0.008 0.000 1.122 736 L CA -0.433 54.372 54.840 -0.059 0.000 0.804 736 L CB 0.599 42.538 42.059 -0.199 0.000 1.150 736 L HN 0.003 nan 8.230 nan 0.000 0.457 737 L N 0.599 121.867 121.223 0.076 0.000 2.127 737 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 737 L C 1.104 178.007 176.870 0.055 0.000 1.089 737 L CA 1.369 56.322 54.840 0.187 0.000 0.757 737 L CB -0.572 41.844 42.059 0.595 0.000 0.899 737 L HN 0.801 nan 8.230 nan 0.000 0.434 738 T N -4.070 110.441 114.554 -0.072 0.000 3.250 738 T HA 0.271 4.621 4.350 -0.000 0.000 0.391 738 T C -1.524 173.091 174.700 -0.141 0.000 1.502 738 T CA -1.877 60.141 62.100 -0.137 0.000 1.320 738 T CB 0.911 69.648 68.868 -0.217 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 0.840 178.058 177.300 -0.138 0.000 1.150 739 P CA 1.213 64.239 63.100 -0.123 0.000 0.841 739 P CB 0.164 31.819 31.700 -0.075 0.000 0.784 740 N N 0.153 118.786 118.700 -0.111 0.000 2.398 740 N HA 0.003 4.743 4.740 -0.000 0.000 0.188 740 N C 0.758 176.211 175.510 -0.094 0.000 1.122 740 N CA 0.540 53.539 53.050 -0.085 0.000 0.866 740 N CB 0.344 38.795 38.487 -0.060 0.000 0.970 740 N HN 0.575 nan 8.380 nan 0.000 0.462 741 E N -1.190 118.918 120.200 -0.154 0.000 2.422 741 E HA 0.209 4.559 4.350 -0.000 0.000 0.280 741 E C -1.618 174.858 176.600 -0.206 0.000 1.091 741 E CA -0.755 55.574 56.400 -0.118 0.000 0.849 741 E CB 0.290 29.935 29.700 -0.092 0.000 1.353 741 E HN -0.243 nan 8.360 nan 0.000 0.449 742 F N 1.371 121.248 119.950 -0.121 0.000 2.350 742 F HA 0.283 4.810 4.527 -0.000 0.000 0.365 742 F C 0.200 175.877 175.800 -0.205 0.000 1.122 742 F CA -0.386 57.558 58.000 -0.093 0.000 1.139 742 F CB 1.257 40.241 39.000 -0.027 0.000 1.220 742 F HN 0.239 nan 8.300 nan 0.000 0.499 743 E N 4.668 124.835 120.200 -0.056 0.000 2.130 743 E HA 0.214 4.564 4.350 -0.000 0.000 0.284 743 E C 0.777 177.247 176.600 -0.217 0.000 1.018 743 E CA -0.132 56.184 56.400 -0.140 0.000 0.817 743 E CB 1.517 31.139 29.700 -0.129 0.000 1.078 743 E HN 0.688 nan 8.360 nan 0.000 0.396 744 I N 2.836 123.135 120.570 -0.452 0.000 2.400 744 I HA -0.141 4.029 4.170 -0.000 0.000 0.248 744 I C 0.838 176.794 176.117 -0.269 0.000 1.109 744 I CA 1.085 61.899 61.300 -0.809 0.000 1.425 744 I CB 0.065 37.392 38.000 -1.121 0.000 1.094 744 I HN 0.408 nan 8.210 nan 0.000 0.425 745 K N 0.455 120.802 120.400 -0.087 0.000 2.532 745 K HA 0.662 4.982 4.320 -0.000 0.000 0.265 745 K C -0.981 175.646 176.600 0.045 0.000 0.948 745 K CA -0.904 55.429 56.287 0.077 0.000 0.842 745 K CB 2.106 34.742 32.500 0.226 0.000 1.392 745 K HN -0.156 nan 8.250 nan 0.000 0.436 746 R N 0.503 121.049 120.500 0.076 0.000 2.740 746 R HA 0.369 4.709 4.340 -0.000 0.000 0.282 746 R C -0.985 175.357 176.300 0.071 0.000 0.969 746 R CA -1.100 55.029 56.100 0.048 0.000 0.918 746 R CB 2.310 32.632 30.300 0.037 0.000 1.175 746 R HN 0.884 nan 8.270 nan 0.000 0.464 747 S N 0.833 116.562 115.700 0.049 0.000 2.423 747 S HA 0.193 4.663 4.470 -0.000 0.000 0.317 747 S C 1.195 175.824 174.600 0.049 0.000 1.065 747 S CA -0.703 57.530 58.200 0.055 0.000 1.111 747 S CB 1.068 64.293 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 0.059 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 -1.923 29.924 31.823 0.039 0.000 0.743 748 V HN 0.843 nan 8.190 nan 0.000 0.767 749 D N 0.917 121.338 120.400 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 1.958 55.976 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 0.084 0.000 0.970 750 G HN -0.049 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 1.183 57.643 56.400 0.100 0.000 0.810 751 E CB 0.000 29.743 29.700 0.070 0.000 0.742 751 E HN 0.452 nan 8.360 nan 0.000 0.466 752 G N -0.081 108.782 108.800 0.104 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 1.388 176.316 174.900 0.046 0.000 1.141 752 G CA 0.597 45.731 45.100 0.057 0.000 0.763 752 G HN 0.268 nan 8.290 nan 0.000 0.554 753 Y N 1.280 121.598 120.300 0.031 0.000 2.224 753 Y HA -0.017 4.533 4.550 -0.000 0.000 0.289 753 Y C 1.220 177.145 175.900 0.041 0.000 1.146 753 Y CA 0.702 58.824 58.100 0.036 0.000 1.182 753 Y CB -0.148 38.331 38.460 0.032 0.000 0.983 753 Y HN 0.082 nan 8.280 nan 0.000 0.524 754 N N 0.380 119.197 118.700 0.195 0.000 2.454 754 N HA 0.165 4.905 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 0.341 53.471 53.050 0.133 0.000 0.900 754 N CB 0.869 39.433 38.487 0.129 0.000 1.089 754 N HN 0.044 nan 8.380 nan 0.000 0.449 755 V N -2.219 117.708 119.914 0.021 0.000 3.182 755 V HA 0.843 4.963 4.120 -0.000 0.000 0.311 755 V C 0.937 176.963 176.094 -0.114 0.000 1.221 755 V CA -0.702 61.551 62.300 -0.079 0.000 1.060 755 V CB 0.672 32.374 31.823 -0.201 0.000 1.164 755 V HN 0.729 nan 8.190 nan 0.000 0.466 756 A N -0.698 121.997 122.820 -0.209 0.000 2.799 756 A HA -0.293 4.027 4.320 -0.000 0.000 0.274 756 A C 0.997 178.565 177.584 -0.026 0.000 1.393 756 A CA 1.816 53.760 52.037 -0.156 0.000 0.909 756 A CB -2.465 16.419 19.000 -0.194 0.000 1.012 756 A HN 1.646 nan 8.150 nan 0.000 0.653 757 Q N -4.229 115.568 119.800 -0.006 0.000 2.487 757 Q HA -0.259 4.080 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 0.026 0.000 0.873 757 Q CB -2.720 26.027 28.738 0.014 0.000 1.260 757 Q HN 2.149 nan 8.270 nan 0.000 0.471 758 C N -2.724 116.637 119.300 0.101 0.000 3.292 758 C HA 0.564 5.024 4.460 -0.000 0.000 0.369 758 C C 1.254 176.365 174.990 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 0.281 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 0.064 53.270 53.050 0.260 0.000 0.863 759 N CB -0.277 38.365 38.487 0.259 0.000 0.980 759 N HN 0.894 nan 8.380 nan 0.000 0.458 760 M N 1.735 121.499 119.600 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 -0.268 55.151 55.300 0.197 0.000 1.160 760 M CB 0.858 33.517 32.600 0.098 0.000 1.491 760 M HN 0.206 nan 8.290 nan 0.000 0.459 761 T N 1.169 115.825 114.554 0.170 0.000 2.899 761 T HA 0.313 4.663 4.350 -0.000 0.000 0.284 761 T C 0.740 175.567 174.700 0.211 0.000 1.004 761 T CA -0.678 61.535 62.100 0.189 0.000 1.043 761 T CB 1.129 70.091 68.868 0.158 0.000 1.013 761 T HN 0.798 nan 8.240 nan 0.000 0.518 762 K N 0.482 121.018 120.400 0.225 0.000 2.057 762 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 762 K C 1.824 178.558 176.600 0.222 0.000 1.049 762 K CA 1.583 57.994 56.287 0.207 0.000 0.931 762 K CB -0.194 32.412 32.500 0.177 0.000 0.714 762 K HN 0.600 nan 8.250 nan 0.000 0.440 763 D N 0.221 120.750 120.400 0.215 0.000 2.106 763 D HA -0.231 4.409 4.640 -0.000 0.000 0.191 763 D C 1.487 177.861 176.300 0.123 0.000 0.997 763 D CA 0.920 55.008 54.000 0.146 0.000 0.834 763 D CB -0.282 40.584 40.800 0.110 0.000 0.956 763 D HN 0.373 nan 8.370 nan 0.000 0.448 764 W N 0.325 121.589 121.300 -0.061 0.000 2.388 764 W HA -0.212 4.448 4.660 0.000 0.000 0.294 764 W C 2.038 178.414 176.519 -0.239 0.000 1.212 764 W CA 0.372 57.614 57.345 -0.172 0.000 1.271 764 W CB -0.409 28.922 29.460 -0.215 0.000 1.126 764 W HN -0.089 nan 8.180 nan 0.000 0.535 765 F N 1.246 121.074 119.950 -0.203 0.000 2.171 765 F HA -0.232 4.295 4.527 -0.000 0.000 0.300 765 F C 2.245 177.844 175.800 -0.335 0.000 1.090 765 F CA 1.767 59.552 58.000 -0.358 0.000 1.293 765 F CB -0.983 37.844 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 2.169 178.833 176.870 -0.344 0.000 1.078 766 L CA 1.695 56.482 54.840 -0.088 0.000 0.749 766 L CB -1.010 41.097 42.059 0.081 0.000 0.901 766 L HN 0.028 nan 8.230 nan 0.000 0.433 767 V N -0.306 119.321 119.914 -0.478 0.000 2.343 767 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 767 V C 2.676 178.314 176.094 -0.760 0.000 1.051 767 V CA 1.645 63.541 62.300 -0.673 0.000 1.036 767 V CB -0.801 30.537 31.823 -0.808 0.000 0.654 767 V HN 0.503 nan 8.190 nan 0.000 0.451 768 Q N -0.996 118.182 119.800 -1.038 0.000 2.119 768 Q HA -0.089 4.251 4.340 -0.000 0.000 0.201 768 Q C 2.230 177.789 176.000 -0.735 0.000 0.972 768 Q CA 1.254 56.396 55.803 -1.102 0.000 0.847 768 Q CB -0.417 27.250 28.738 -1.784 0.000 0.903 768 Q HN 0.463 nan 8.270 nan 0.000 0.433 769 M N -0.018 119.207 119.600 -0.625 0.000 2.175 769 M HA -0.065 4.415 4.480 -0.000 0.000 0.264 769 M C 2.268 178.454 176.300 -0.191 0.000 1.063 769 M CA 1.078 56.217 55.300 -0.269 0.000 1.119 769 M CB -0.869 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 -0.410 120.655 121.223 -0.263 0.000 2.027 770 L HA -0.126 4.214 4.340 -0.000 0.000 0.206 770 L C 2.707 179.479 176.870 -0.164 0.000 1.074 770 L CA 1.153 55.885 54.840 -0.180 0.000 0.745 770 L CB -0.901 41.063 42.059 -0.159 0.000 0.898 770 L HN 0.243 nan 8.230 nan 0.000 0.433 771 A N 0.225 122.900 122.820 -0.242 0.000 1.940 771 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 771 A C 1.965 179.371 177.584 -0.297 0.000 1.176 771 A CA 2.372 54.272 52.037 -0.227 0.000 0.631 771 A CB -0.642 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 -2.407 116.011 118.700 -0.470 0.000 2.336 772 N HA 0.057 4.797 4.740 -0.000 0.000 0.177 772 N C 0.552 175.550 175.510 -0.854 0.000 1.018 772 N CA 1.338 53.921 53.050 -0.779 0.000 0.878 772 N CB 0.001 37.725 38.487 -1.272 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 57.296 58.100 -0.094 0.000 1.238 773 Y CB -0.477 37.902 38.460 -0.136 0.000 1.322 773 Y HN -0.105 nan 8.280 nan 0.000 0.547 774 N N 0.672 119.378 118.700 0.011 0.000 2.782 774 N HA -0.190 4.550 4.740 -0.000 0.000 0.251 774 N C -0.717 174.787 175.510 -0.009 0.000 1.101 774 N CA 0.339 53.398 53.050 0.015 0.000 0.764 774 N CB -1.002 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 -0.200 120.337 120.570 -0.055 0.000 2.353 775 I HA 0.417 4.587 4.170 -0.000 0.000 0.293 775 I C 1.394 177.367 176.117 -0.240 0.000 0.992 775 I CA 0.364 61.562 61.300 -0.169 0.000 1.268 775 I CB 1.586 39.400 38.000 -0.309 0.000 1.387 775 I HN 0.271 nan 8.210 nan 0.000 0.478 776 G N 3.945 112.520 108.800 -0.376 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 0.395 174.911 174.900 -0.639 0.000 0.987 776 G CA -0.247 44.462 45.100 -0.652 0.000 0.884 776 G HN 0.462 nan 8.290 nan 0.000 0.406 777 Y N 1.349 121.535 120.300 -0.189 0.000 2.544 777 Y HA 0.381 4.931 4.550 0.000 0.000 0.286 777 Y C 2.085 177.914 175.900 -0.118 0.000 1.141 777 Y CA 1.090 59.109 58.100 -0.134 0.000 1.299 777 Y CB 0.527 38.946 38.460 -0.068 0.000 1.030 777 Y HN 0.250 nan 8.280 nan 0.000 0.543 778 Q N -0.058 119.747 119.800 0.009 0.000 2.333 778 Q HA 0.437 4.777 4.340 -0.000 0.000 0.365 778 Q C -0.073 175.944 176.000 0.028 0.000 0.882 778 Q CA -0.112 55.709 55.803 0.030 0.000 1.124 778 Q CB 1.062 29.846 28.738 0.075 0.000 1.345 778 Q HN 0.358 nan 8.270 nan 0.000 0.409 779 G N 0.511 109.245 108.800 -0.110 0.000 2.675 779 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 779 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 779 G C -1.204 173.612 174.900 -0.141 0.000 1.215 779 G CA -1.053 44.008 45.100 -0.065 0.000 0.777 779 G HN 0.131 nan 8.290 nan 0.000 0.638 780 F N 1.425 121.435 119.950 0.101 0.000 2.436 780 F HA 0.826 5.353 4.527 0.000 0.000 0.340 780 F C 0.668 176.501 175.800 0.055 0.000 1.113 780 F CA -0.431 57.562 58.000 -0.013 0.000 1.022 780 F CB 1.594 40.677 39.000 0.138 0.000 1.128 780 F HN 0.736 nan 8.300 nan 0.000 0.466 781 Y N 0.105 120.498 120.300 0.156 0.000 2.656 781 Y HA 0.617 5.167 4.550 -0.000 0.000 0.334 781 Y C -1.042 174.733 175.900 -0.208 0.000 1.179 781 Y CA -2.095 56.003 58.100 -0.004 0.000 1.050 781 Y CB 0.476 38.918 38.460 -0.030 0.000 1.308 781 Y HN 0.342 nan 8.280 nan 0.000 0.456 782 I N 4.776 125.263 120.570 -0.139 0.000 2.668 782 I HA 0.124 4.294 4.170 -0.000 0.000 0.285 782 I C -1.907 173.968 176.117 -0.404 0.000 1.168 782 I CA -1.428 59.547 61.300 -0.542 0.000 1.424 782 I CB 0.502 38.311 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 -0.704 176.363 177.300 -0.389 0.000 1.230 783 P CA -0.399 62.331 63.100 -0.616 0.000 0.788 783 P CB 0.568 31.497 31.700 -1.284 0.000 0.949 784 E N 0.351 120.362 120.200 -0.314 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 0.160 29.632 29.700 -0.380 0.000 0.948 784 E HN 0.301 nan 8.360 nan 0.000 0.444 785 S N 2.320 117.944 115.700 -0.126 0.000 2.381 785 S HA -0.296 4.174 4.470 -0.000 0.000 0.230 785 S C 1.777 176.368 174.600 -0.015 0.000 1.052 785 S CA 2.001 60.178 58.200 -0.038 0.000 1.068 785 S CB -0.524 62.702 63.200 0.043 0.000 0.918 785 S HN 0.694 nan 8.310 nan 0.000 0.448 786 Y N 1.152 121.463 120.300 0.018 0.000 2.497 786 Y HA 0.161 4.711 4.550 -0.000 0.000 0.292 786 Y C 1.651 177.587 175.900 0.062 0.000 1.137 786 Y CA 0.597 58.716 58.100 0.030 0.000 1.285 786 Y CB -0.444 38.030 38.460 0.022 0.000 0.991 786 Y HN 0.087 nan 8.280 nan 0.000 0.556 787 K N -0.398 119.776 120.400 -0.376 0.000 2.352 787 K HA -0.001 4.319 4.320 -0.000 0.000 0.194 787 K C -0.047 176.625 176.600 0.121 0.000 1.038 787 K CA 0.497 56.710 56.287 -0.124 0.000 1.023 787 K CB 0.273 32.649 32.500 -0.207 0.000 0.840 787 K HN 0.101 nan 8.250 nan 0.000 0.519 788 D N 2.187 122.614 120.400 0.044 0.000 2.638 788 D HA 0.048 4.688 4.640 -0.000 0.000 0.245 788 D C -0.057 176.313 176.300 0.117 0.000 1.176 788 D CA -0.210 53.883 54.000 0.156 0.000 0.996 788 D CB 0.195 40.996 40.800 0.001 0.000 1.012 788 D HN -0.080 nan 8.370 nan 0.000 0.515 789 R N 1.035 121.610 120.500 0.125 0.000 2.954 789 R HA 0.114 4.454 4.340 -0.000 0.000 0.276 789 R C 1.559 177.867 176.300 0.012 0.000 1.218 789 R CA -0.515 55.623 56.100 0.063 0.000 1.149 789 R CB -0.282 30.065 30.300 0.078 0.000 1.112 789 R HN 0.320 nan 8.270 nan 0.000 0.577 790 M N 0.069 119.604 119.600 -0.107 0.000 2.159 790 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 790 M C 0.424 176.558 176.300 -0.277 0.000 1.063 790 M CA 1.851 56.987 55.300 -0.273 0.000 1.110 790 M CB 0.114 32.404 32.600 -0.518 0.000 1.374 790 M HN 0.420 nan 8.290 nan 0.000 0.411 791 Y N -0.164 120.175 120.300 0.065 0.000 2.571 791 Y HA 0.335 4.885 4.550 -0.000 0.000 0.275 791 Y C 0.738 176.688 175.900 0.083 0.000 1.179 791 Y CA -0.576 57.572 58.100 0.080 0.000 1.242 791 Y CB -0.360 38.145 38.460 0.075 0.000 1.126 791 Y HN 0.017 nan 8.280 nan 0.000 0.524 792 S N 0.213 116.031 115.700 0.197 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 0.242 0.000 1.276 792 S CA -0.665 57.656 58.200 0.202 0.000 0.998 792 S CB 0.613 63.969 63.200 0.260 0.000 0.953 792 S HN 0.374 nan 8.310 nan 0.000 0.547 793 F N 1.609 121.628 119.950 0.116 0.000 2.031 793 F HA -0.079 4.448 4.527 -0.000 0.000 0.295 793 F C 1.828 177.781 175.800 0.257 0.000 1.133 793 F CA 1.376 59.455 58.000 0.131 0.000 1.188 793 F CB -0.767 38.249 39.000 0.026 0.000 0.974 793 F HN 0.647 nan 8.300 nan 0.000 0.473 794 F N 1.413 121.207 119.950 -0.260 0.000 2.065 794 F HA -0.231 4.296 4.527 0.000 0.000 0.298 794 F C 2.743 178.468 175.800 -0.126 0.000 1.112 794 F CA 2.312 60.102 58.000 -0.352 0.000 1.212 794 F CB -0.668 38.239 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 1.310 177.564 176.300 -0.077 0.000 1.155 795 R CA 2.218 58.326 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 -0.771 174.761 175.510 0.036 0.000 1.128 796 N CA -0.088 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 3.086 122.841 119.950 -0.324 0.000 2.471 797 F HA 0.176 4.703 4.527 -0.000 0.000 0.365 797 F C -0.031 175.651 175.800 -0.197 0.000 1.095 797 F CA -0.252 57.573 58.000 -0.292 0.000 1.174 797 F CB 0.532 39.129 39.000 -0.671 0.000 1.105 797 F HN -0.171 nan 8.300 nan 0.000 0.535 798 Q N 8.915 128.465 119.800 -0.416 0.000 2.674 798 Q HA 0.278 4.618 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 -1.931 53.624 55.803 -0.413 0.000 0.734 798 Q CB 1.442 30.082 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 1.128 120.738 119.600 0.017 0.000 2.531 800 M HA 0.440 4.920 4.480 -0.000 0.000 0.286 800 M C -0.459 176.045 176.300 0.339 0.000 1.232 800 M CA -0.365 55.012 55.300 0.127 0.000 0.877 800 M CB 2.713 35.323 32.600 0.017 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 0.082 0.000 1.141 801 S CA -0.955 57.427 58.200 0.302 0.000 0.843 801 S CB 2.733 66.010 63.200 0.129 0.000 1.122 801 S HN 0.792 nan 8.310 nan 0.000 0.468 802 R N 0.610 120.951 120.500 -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 -0.362 0.000 1.030 802 R CA -0.956 54.877 56.100 -0.446 0.000 0.876 802 R CB 0.740 30.426 30.300 -1.023 0.000 1.259 802 R HN 0.417 nan 8.270 nan 0.000 0.468 803 Q N 0.222 119.852 119.800 -0.284 0.000 2.351 803 Q HA 0.714 5.054 4.340 -0.000 0.000 0.273 803 Q C -1.178 174.695 176.000 -0.211 0.000 1.077 803 Q CA -0.680 55.000 55.803 -0.206 0.000 0.843 803 Q CB 2.895 31.551 28.738 -0.138 0.000 1.367 803 Q HN 0.610 nan 8.270 nan 0.000 0.449 804 V N -2.228 117.587 119.914 -0.165 0.000 3.120 804 V HA 0.697 4.817 4.120 -0.000 0.000 0.303 804 V C -0.363 175.660 176.094 -0.118 0.000 1.238 804 V CA -1.412 60.811 62.300 -0.127 0.000 1.008 804 V CB 1.223 32.978 31.823 -0.113 0.000 1.064 804 V HN 0.651 nan 8.190 nan 0.000 0.434 805 V N -0.436 119.417 119.914 -0.102 0.000 2.720 805 V HA 0.191 4.311 4.120 -0.000 0.000 0.307 805 V C 0.395 176.378 176.094 -0.184 0.000 1.071 805 V CA 0.446 62.638 62.300 -0.181 0.000 1.199 805 V CB 0.260 31.967 31.823 -0.194 0.000 0.900 805 V HN 1.056 nan 8.190 nan 0.000 0.494 806 D N 4.322 124.610 120.400 -0.186 0.000 2.374 806 D HA 0.043 4.683 4.640 -0.000 0.000 0.240 806 D C 1.103 177.257 176.300 -0.243 0.000 1.229 806 D CA -0.065 53.836 54.000 -0.165 0.000 0.895 806 D CB 0.964 41.703 40.800 -0.101 0.000 1.046 806 D HN 0.864 nan 8.370 nan 0.000 0.498 807 D N 1.567 121.713 120.400 -0.423 0.000 2.384 807 D HA -0.160 4.480 4.640 -0.000 0.000 0.222 807 D C 1.165 177.235 176.300 -0.383 0.000 0.976 807 D CA 0.631 54.143 54.000 -0.813 0.000 0.915 807 D CB -0.070 40.142 40.800 -0.979 0.000 0.896 807 D HN 0.414 nan 8.370 nan 0.000 0.523 808 T N -3.538 110.902 114.554 -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 -0.408 61.638 62.100 -0.090 0.000 0.921 808 T CB 0.357 69.186 68.868 -0.066 0.000 1.053 808 T HN 0.022 nan 8.240 nan 0.000 0.533 809 K N -0.494 119.887 120.400 -0.032 0.000 2.502 809 K HA 0.222 4.542 4.320 -0.000 0.000 0.211 809 K C -0.649 175.986 176.600 0.059 0.000 1.259 809 K CA -0.401 55.889 56.287 0.004 0.000 0.983 809 K CB 0.706 33.204 32.500 -0.003 0.000 1.054 809 K HN 0.300 nan 8.250 nan 0.000 0.572 810 Y N 3.443 123.692 120.300 -0.086 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 -0.591 57.468 58.100 -0.068 0.000 1.277 810 Y CB 0.263 38.648 38.460 -0.125 0.000 1.136 810 Y HN -0.101 nan 8.280 nan 0.000 0.523 811 K N 2.292 122.519 120.400 -0.288 0.000 2.077 811 K HA -0.223 4.097 4.320 -0.000 0.000 0.213 811 K C 0.580 176.934 176.600 -0.409 0.000 1.051 811 K CA 2.154 58.268 56.287 -0.288 0.000 0.929 811 K CB 0.076 32.455 32.500 -0.202 0.000 0.715 811 K HN 0.689 nan 8.250 nan 0.000 0.451 812 D N -0.233 119.665 120.400 -0.837 0.000 2.319 812 D HA -0.060 4.580 4.640 -0.000 0.000 0.230 812 D C -0.039 176.053 176.300 -0.346 0.000 1.094 812 D CA 0.025 53.691 54.000 -0.557 0.000 0.856 812 D CB -0.319 40.215 40.800 -0.445 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 0.095 176.054 175.900 0.100 0.000 1.247 813 Y CA 0.524 58.625 58.100 0.001 0.000 1.526 813 Y CB 0.355 38.843 38.460 0.046 0.000 1.284 813 Y HN -0.154 nan 8.280 nan 0.000 0.586 814 Q N 5.786 125.220 119.800 -0.610 0.000 2.263 814 Q HA 0.147 4.487 4.340 -0.000 0.000 0.266 814 Q C -1.340 174.262 176.000 -0.662 0.000 1.002 814 Q CA -0.705 54.826 55.803 -0.453 0.000 0.790 814 Q CB 2.005 30.677 28.738 -0.110 0.000 1.272 814 Q HN 0.786 nan 8.270 nan 0.000 0.435 815 Q N 2.408 121.917 119.800 -0.484 0.000 2.323 815 Q HA 0.417 4.757 4.340 -0.000 0.000 0.257 815 Q C -1.058 174.911 176.000 -0.052 0.000 1.022 815 Q CA -0.162 55.538 55.803 -0.171 0.000 0.919 815 Q CB 0.663 29.448 28.738 0.078 0.000 1.220 815 Q HN 0.360 nan 8.270 nan 0.000 0.427 816 V N 3.641 123.543 119.914 -0.020 0.000 2.487 816 V HA 0.593 4.713 4.120 -0.000 0.000 0.298 816 V C 0.550 176.600 176.094 -0.074 0.000 1.028 816 V CA -0.726 61.553 62.300 -0.036 0.000 0.860 816 V CB 1.569 33.347 31.823 -0.075 0.000 0.991 816 V HN 0.859 nan 8.190 nan 0.000 0.427 817 G N 2.271 111.061 108.800 -0.018 0.000 2.522 817 G HA2 0.505 4.465 3.960 -0.000 0.000 0.304 817 G HA3 0.505 4.465 3.960 -0.000 0.000 0.304 817 G C 0.851 175.677 174.900 -0.123 0.000 1.210 817 G CA -0.537 44.531 45.100 -0.053 0.000 0.960 817 G HN 0.740 nan 8.290 nan 0.000 0.497 818 I N -0.543 119.948 120.570 -0.131 0.000 2.236 818 I HA -0.217 3.953 4.170 -0.000 0.000 0.249 818 I C 2.487 178.528 176.117 -0.126 0.000 1.102 818 I CA 1.096 62.314 61.300 -0.136 0.000 1.365 818 I CB -0.989 36.953 38.000 -0.098 0.000 1.051 818 I HN 0.363 nan 8.210 nan 0.000 0.420 819 L N -0.263 120.856 121.223 -0.174 0.000 2.129 819 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 819 L C 1.683 178.293 176.870 -0.433 0.000 1.087 819 L CA 1.810 56.463 54.840 -0.311 0.000 0.757 819 L CB -0.708 41.091 42.059 -0.434 0.000 0.896 819 L HN 0.467 nan 8.230 nan 0.000 0.434 820 H N -2.592 116.495 119.070 0.029 0.000 2.785 820 H HA 0.232 4.788 4.556 -0.000 0.000 0.268 820 H C -0.127 175.190 175.328 -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 0.293 nan 8.280 nan 0.000 0.576 821 Q N 1.365 121.157 119.800 -0.014 0.000 2.243 821 Q HA 0.299 4.639 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 -0.670 55.060 55.803 -0.121 0.000 0.922 821 Q CB 1.159 29.689 28.738 -0.347 0.000 1.215 821 Q HN 0.528 nan 8.270 nan 0.000 0.427 822 H N -0.350 118.760 119.070 0.067 0.000 2.840 822 H HA 0.565 5.121 4.556 -0.000 0.000 0.340 822 H C -1.463 173.922 175.328 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 0.063 0.000 1.607 822 H HN 0.429 nan 8.280 nan 0.000 0.522 823 N N 3.148 121.994 118.700 0.243 0.000 2.519 823 N HA 0.182 4.922 4.740 -0.000 0.000 0.291 823 N C -0.742 174.935 175.510 0.278 0.000 1.107 823 N CA -0.377 52.777 53.050 0.173 0.000 0.904 823 N CB 0.910 39.351 38.487 -0.077 0.000 1.500 823 N HN 0.869 nan 8.380 nan 0.000 0.510 824 N N 0.227 119.103 118.700 0.293 0.000 2.882 824 N HA -0.157 4.583 4.740 -0.000 0.000 0.249 824 N C -0.672 175.045 175.510 0.346 0.000 1.079 824 N CA 1.042 54.328 53.050 0.392 0.000 0.800 824 N CB -1.455 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 -0.893 114.936 115.700 0.215 0.000 2.552 825 S HA 0.396 4.866 4.470 -0.000 0.000 0.289 825 S C 1.628 176.106 174.600 -0.203 0.000 1.304 825 S CA 0.980 59.201 58.200 0.036 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 1.977 110.599 108.800 -0.295 0.000 2.268 826 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.240 826 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.240 826 G C 0.242 174.750 174.900 -0.652 0.000 1.010 826 G CA 0.368 45.129 45.100 -0.565 0.000 0.618 826 G HN 0.778 nan 8.290 nan 0.000 0.516 827 F N 0.544 120.502 119.950 0.013 0.000 2.706 827 F HA 0.611 5.138 4.527 -0.000 0.000 0.308 827 F C 0.984 176.785 175.800 0.001 0.000 1.095 827 F CA -0.195 57.810 58.000 0.009 0.000 1.244 827 F CB 0.849 39.862 39.000 0.022 0.000 1.063 827 F HN 0.156 nan 8.300 nan 0.000 0.582 828 V N -0.933 119.054 119.914 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 -1.222 61.119 62.300 0.069 0.000 1.034 828 V CB 1.507 33.389 31.823 0.099 0.000 1.075 828 V HN 0.078 nan 8.190 nan 0.000 0.442 829 G N -0.575 108.218 108.800 -0.012 0.000 2.599 829 G HA2 0.364 4.324 3.960 -0.000 0.000 0.264 829 G HA3 0.364 4.324 3.960 -0.000 0.000 0.264 829 G C -1.242 173.695 174.900 0.061 0.000 1.200 829 G CA -0.144 44.945 45.100 -0.018 0.000 0.896 829 G HN 0.684 nan 8.290 nan 0.000 0.536 830 Y N 1.016 121.268 120.300 -0.079 0.000 2.367 830 Y HA 0.365 4.915 4.550 -0.000 0.000 0.342 830 Y C 1.053 176.931 175.900 -0.037 0.000 0.979 830 Y CA -0.959 57.105 58.100 -0.060 0.000 1.161 830 Y CB 0.336 38.748 38.460 -0.079 0.000 1.155 830 Y HN 0.464 nan 8.280 nan 0.000 0.503 831 L N 4.193 125.181 121.223 -0.393 0.000 3.976 831 L HA -0.341 3.999 4.340 -0.000 0.000 0.418 831 L C -0.213 176.611 176.870 -0.078 0.000 1.177 831 L CA 0.788 55.416 54.840 -0.354 0.000 0.968 831 L CB -2.054 39.587 42.059 -0.697 0.000 1.933 831 L HN 0.720 nan 8.230 nan 0.000 0.976 832 A N -1.246 121.533 122.820 -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 0.344 177.512 177.300 -0.219 0.000 1.668 833 P CA 0.493 63.394 63.100 -0.332 0.000 0.898 833 P CB -0.581 30.830 31.700 -0.481 0.000 1.637 834 T N -3.979 110.478 114.554 -0.161 0.000 2.892 834 T HA 0.410 4.760 4.350 -0.000 0.000 0.280 834 T C 0.598 175.211 174.700 -0.146 0.000 1.004 834 T CA -1.105 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 1.805 121.310 119.600 -0.159 0.000 2.245 835 M HA 0.111 4.591 4.480 -0.000 0.000 0.335 835 M C 0.338 176.573 176.300 -0.109 0.000 1.155 835 M CA -0.493 54.728 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 0.770 nan 8.290 nan 0.000 0.447 836 R N 3.563 124.019 120.500 -0.073 0.000 2.734 836 R HA 0.220 4.560 4.340 -0.000 0.000 0.266 836 R C -0.745 175.502 176.300 -0.087 0.000 1.044 836 R CA 0.051 56.118 56.100 -0.055 0.000 1.128 836 R CB 0.035 30.326 30.300 -0.015 0.000 1.010 836 R HN 0.747 nan 8.270 nan 0.000 0.461 837 E N -0.363 119.778 120.200 -0.098 0.000 2.437 837 E HA 0.583 4.933 4.350 -0.000 0.000 0.280 837 E C -0.435 176.069 176.600 -0.161 0.000 1.044 837 E CA -1.064 55.261 56.400 -0.126 0.000 0.826 837 E CB 0.986 30.617 29.700 -0.114 0.000 1.358 837 E HN 0.895 nan 8.360 nan 0.000 0.459 838 G N 0.554 109.243 108.800 -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 -1.148 173.603 174.900 -0.249 0.000 1.308 838 G CA -0.059 44.908 45.100 -0.222 0.000 0.924 838 G HN 0.975 nan 8.290 nan 0.000 0.540 839 Q N -0.990 118.649 119.800 -0.269 0.000 2.416 839 Q HA 0.783 5.123 4.340 -0.000 0.000 0.281 839 Q C -0.052 175.807 176.000 -0.234 0.000 1.067 839 Q CA -0.370 55.282 55.803 -0.252 0.000 0.809 839 Q CB 1.905 30.526 28.738 -0.196 0.000 1.418 839 Q HN 2.223 nan 8.270 nan 0.000 0.411 840 A N 1.614 124.312 122.820 -0.204 0.000 2.507 840 A HA 0.457 4.777 4.320 -0.000 0.000 0.235 840 A C -1.125 176.570 177.584 0.184 0.000 1.070 840 A CA 0.470 52.492 52.037 -0.025 0.000 0.768 840 A CB 0.048 19.119 19.000 0.118 0.000 1.011 840 A HN 0.672 nan 8.150 nan 0.000 0.502 841 Y N 0.305 120.611 120.300 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 -1.322 56.777 58.100 -0.003 0.000 1.245 841 Y CB 1.287 39.671 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 -0.663 176.749 177.300 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 0.126 0.000 2.386 843 A HA 0.155 4.475 4.320 -0.000 0.000 0.248 843 A C 1.146 178.698 177.584 -0.054 0.000 1.082 843 A CA -0.320 51.771 52.037 0.089 0.000 0.789 843 A CB -0.128 18.860 19.000 -0.020 0.000 1.025 843 A HN 0.719 nan 8.150 nan 0.000 0.490 844 N N -0.248 118.296 118.700 -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 -0.076 52.814 53.050 -0.266 0.000 0.882 844 N CB 0.310 38.533 38.487 -0.440 0.000 1.052 844 N HN 0.418 nan 8.380 nan 0.000 0.519 845 F N 0.945 120.664 119.950 -0.385 0.000 2.650 845 F HA 0.602 5.129 4.527 -0.000 0.000 0.310 845 F C -2.881 172.647 175.800 -0.453 0.000 1.112 845 F CA -1.480 56.283 58.000 -0.394 0.000 0.986 845 F CB 2.158 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 61.971 63.100 -1.355 0.000 0.811 846 P CB 1.252 32.251 31.700 -1.168 0.000 1.211 847 Y N -0.177 119.890 120.300 -0.388 0.000 2.411 847 Y HA 0.199 4.749 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 -1.259 56.715 58.100 -0.211 0.000 1.381 847 Y CB -0.993 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 -0.020 177.243 177.300 -0.062 0.000 1.243 848 P CA 0.173 63.252 63.100 -0.035 0.000 0.768 848 P CB 0.581 32.269 31.700 -0.021 0.000 0.856 849 L N 3.339 124.522 121.223 -0.067 0.000 2.640 849 L HA 0.299 4.639 4.340 -0.000 0.000 0.230 849 L C 0.934 177.765 176.870 -0.066 0.000 1.123 849 L CA 0.096 54.886 54.840 -0.082 0.000 0.900 849 L CB -0.128 41.881 42.059 -0.083 0.000 1.146 849 L HN 0.388 nan 8.230 nan 0.000 0.484 850 I N -4.054 116.486 120.570 -0.050 0.000 3.042 850 I HA 0.895 5.065 4.170 -0.000 0.000 0.310 850 I C 0.423 176.522 176.117 -0.030 0.000 1.117 850 I CA -0.634 60.643 61.300 -0.037 0.000 1.003 850 I CB 1.787 39.770 38.000 -0.029 0.000 1.228 850 I HN 0.045 nan 8.210 nan 0.000 0.443 851 G N 3.266 112.053 108.800 -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 0.156 175.047 174.900 -0.014 0.000 1.354 851 G CA 0.254 45.344 45.100 -0.017 0.000 0.873 851 G HN 0.925 nan 8.290 nan 0.000 0.562 852 K N -0.231 120.165 120.400 -0.007 0.000 2.097 852 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 852 K C 3.000 179.601 176.600 0.002 0.000 1.049 852 K CA 2.302 58.589 56.287 -0.001 0.000 0.933 852 K CB -0.448 32.054 32.500 0.003 0.000 0.717 852 K HN 0.796 nan 8.250 nan 0.000 0.442 853 T N -0.064 114.490 114.554 0.000 0.000 2.788 853 T HA -0.048 4.302 4.350 -0.000 0.000 0.268 853 T C 1.115 175.805 174.700 -0.016 0.000 1.044 853 T CA 0.558 62.661 62.100 0.006 0.000 1.139 853 T CB -0.430 68.440 68.868 0.003 0.000 0.867 853 T HN 0.183 nan 8.240 nan 0.000 0.454 854 A N 2.583 125.381 122.820 -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 51.947 52.037 -0.078 0.000 0.756 854 A CB -0.417 18.544 19.000 -0.066 0.000 0.963 854 A HN 1.069 nan 8.150 nan 0.000 0.511 855 V N 1.845 121.614 119.914 -0.242 0.000 2.834 855 V HA 0.319 4.439 4.120 -0.000 0.000 0.301 855 V C 0.047 175.941 176.094 -0.334 0.000 1.066 855 V CA -1.034 60.970 62.300 -0.493 0.000 1.052 855 V CB 0.963 32.242 31.823 -0.908 0.000 1.021 855 V HN 0.789 nan 8.190 nan 0.000 0.480 856 D N 3.588 123.819 120.400 -0.281 0.000 2.487 856 D HA 0.231 4.871 4.640 -0.000 0.000 0.243 856 D C 0.408 176.607 176.300 -0.168 0.000 1.154 856 D CA 0.821 54.747 54.000 -0.124 0.000 0.876 856 D CB 0.975 41.774 40.800 -0.002 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 2.208 65.335 63.200 -0.123 0.000 1.127 857 S HN 0.473 nan 8.310 nan 0.000 0.511 858 I N 0.453 120.965 120.570 -0.097 0.000 2.730 858 I HA 0.526 4.696 4.170 -0.000 0.000 0.298 858 I C -1.080 174.987 176.117 -0.084 0.000 1.089 858 I CA -0.379 60.875 61.300 -0.076 0.000 1.041 858 I CB 2.376 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 5.623 120.141 114.554 -0.060 0.000 2.867 859 T HA 0.432 4.782 4.350 -0.000 0.000 0.282 859 T C -0.909 173.768 174.700 -0.039 0.000 1.000 859 T CA -0.475 61.588 62.100 -0.062 0.000 1.042 859 T CB 1.269 70.117 68.868 -0.032 0.000 0.973 859 T HN 0.498 nan 8.240 nan 0.000 0.465 860 Q N 1.871 121.633 119.800 -0.063 0.000 2.337 860 Q HA 0.528 4.868 4.340 -0.000 0.000 0.270 860 Q C -0.881 175.222 176.000 0.172 0.000 1.043 860 Q CA -0.793 55.032 55.803 0.036 0.000 0.794 860 Q CB 2.779 31.515 28.738 -0.005 0.000 1.281 860 Q HN 0.403 nan 8.270 nan 0.000 0.446 861 K N 1.985 122.534 120.400 0.248 0.000 2.316 861 K HA 0.536 4.856 4.320 -0.000 0.000 0.251 861 K C -0.991 175.781 176.600 0.288 0.000 0.934 861 K CA -0.488 55.973 56.287 0.290 0.000 0.802 861 K CB 1.739 34.354 32.500 0.192 0.000 1.171 861 K HN 0.627 nan 8.250 nan 0.000 0.426 862 K N 0.808 121.354 120.400 0.243 0.000 2.544 862 K HA 0.514 4.834 4.320 -0.000 0.000 0.282 862 K C -1.537 175.165 176.600 0.171 0.000 1.020 862 K CA -0.948 55.420 56.287 0.135 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 -1.135 118.822 119.950 0.012 0.000 2.741 863 F HA 0.713 5.240 4.527 0.000 0.000 0.311 863 F C -2.374 173.435 175.800 0.016 0.000 1.149 863 F CA -1.169 56.829 58.000 -0.003 0.000 0.930 863 F CB 1.039 40.138 39.000 0.165 0.000 1.312 863 F HN 0.354 nan 8.300 nan 0.000 0.450 864 L N 1.917 123.224 121.223 0.140 0.000 2.341 864 L HA 0.748 5.088 4.340 -0.000 0.000 0.267 864 L C -0.957 176.187 176.870 0.456 0.000 1.009 864 L CA -0.742 54.129 54.840 0.051 0.000 0.819 864 L CB 2.017 44.008 42.059 -0.112 0.000 1.323 864 L HN 1.020 nan 8.230 nan 0.000 0.425 865 C N 2.094 121.652 119.300 0.429 0.000 3.166 865 C HA 0.342 4.802 4.460 -0.000 0.000 0.277 865 C C -0.688 174.469 174.990 0.278 0.000 0.984 865 C CA -0.843 58.430 59.018 0.426 0.000 1.142 865 C CB -0.963 27.160 27.740 0.638 0.000 1.721 865 C HN 0.793 nan 8.230 nan 0.000 0.628 866 D N 1.660 122.241 120.400 0.301 0.000 2.371 866 D HA 0.227 4.867 4.640 -0.000 0.000 0.242 866 D C 0.984 177.510 176.300 0.378 0.000 1.218 866 D CA 0.135 54.369 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 0.727 nan 8.370 nan 0.000 0.464 867 R N -1.767 119.030 120.500 0.495 0.000 3.484 867 R HA -0.238 4.102 4.340 -0.000 0.000 0.260 867 R C -0.667 175.919 176.300 0.476 0.000 1.053 867 R CA 0.964 57.365 56.100 0.502 0.000 0.703 867 R CB -2.546 28.040 30.300 0.476 0.000 1.089 867 R HN 0.354 nan 8.270 nan 0.000 0.459 868 T N -0.282 114.452 114.554 0.299 0.000 2.865 868 T HA 0.717 5.067 4.350 -0.000 0.000 0.294 868 T C -0.997 173.594 174.700 -0.181 0.000 1.119 868 T CA -0.865 61.305 62.100 0.117 0.000 1.007 868 T CB 1.400 70.308 68.868 0.067 0.000 1.225 868 T HN 0.269 nan 8.240 nan 0.000 0.515 869 L N 1.896 122.950 121.223 -0.281 0.000 2.346 869 L HA 0.553 4.893 4.340 -0.000 0.000 0.276 869 L C -0.615 175.989 176.870 -0.443 0.000 1.006 869 L CA -0.973 53.562 54.840 -0.509 0.000 0.817 869 L CB 1.758 43.544 42.059 -0.455 0.000 1.272 869 L HN 0.717 nan 8.230 nan 0.000 0.421 870 W N 2.770 123.706 121.300 -0.608 0.000 2.181 870 W HA 0.339 4.999 4.660 -0.000 0.000 0.335 870 W C 0.245 176.370 176.519 -0.656 0.000 1.310 870 W CA -0.506 56.428 57.345 -0.685 0.000 1.226 870 W CB 0.609 29.312 29.460 -1.262 0.000 1.155 870 W HN 0.287 nan 8.180 nan 0.000 0.565 871 R N 3.184 123.561 120.500 -0.205 0.000 2.628 871 R HA 0.569 4.909 4.340 -0.000 0.000 0.288 871 R C -1.046 175.135 176.300 -0.198 0.000 0.980 871 R CA -0.956 55.027 56.100 -0.195 0.000 0.891 871 R CB 1.873 32.039 30.300 -0.223 0.000 1.188 871 R HN 0.435 nan 8.270 nan 0.000 0.450 872 I N 4.197 124.779 120.570 0.020 0.000 2.583 872 I HA 0.264 4.434 4.170 -0.000 0.000 0.276 872 I C -2.296 174.049 176.117 0.380 0.000 1.089 872 I CA -2.081 59.283 61.300 0.105 0.000 1.103 872 I CB 2.062 40.097 38.000 0.058 0.000 1.209 872 I HN 0.282 nan 8.210 nan 0.000 0.484 873 P HA 0.055 nan 4.420 nan 0.000 0.275 873 P C -0.482 177.144 177.300 0.543 0.000 1.228 873 P CA -0.256 63.016 63.100 0.286 0.000 0.786 873 P CB 1.012 32.823 31.700 0.185 0.000 0.927 874 F N 2.434 122.406 119.950 0.037 0.000 2.640 874 F HA 0.298 4.825 4.527 -0.000 0.000 0.354 874 F C 0.354 176.234 175.800 0.133 0.000 1.213 874 F CA -0.146 57.891 58.000 0.062 0.000 1.314 874 F CB -0.596 38.176 39.000 -0.380 0.000 1.679 874 F HN 0.119 nan 8.300 nan 0.000 0.622 875 S N 0.711 116.536 115.700 0.208 0.000 2.538 875 S HA 0.326 4.796 4.470 -0.000 0.000 0.288 875 S C 0.963 175.506 174.600 -0.095 0.000 1.108 875 S CA -0.511 57.704 58.200 0.026 0.000 0.971 875 S CB 1.613 64.856 63.200 0.071 0.000 1.041 875 S HN 0.318 nan 8.310 nan 0.000 0.483 876 S N 3.075 118.687 115.700 -0.146 0.000 2.420 876 S HA -0.139 4.331 4.470 -0.000 0.000 0.237 876 S C 1.239 175.631 174.600 -0.347 0.000 1.023 876 S CA 1.899 59.965 58.200 -0.224 0.000 0.991 876 S CB -0.404 62.708 63.200 -0.147 0.000 0.792 876 S HN 0.882 nan 8.310 nan 0.000 0.488 877 N N -0.784 117.767 118.700 -0.248 0.000 2.197 877 N HA 0.212 4.952 4.740 -0.000 0.000 0.228 877 N C 0.205 175.734 175.510 0.032 0.000 1.212 877 N CA -0.358 52.596 53.050 -0.160 0.000 0.883 877 N CB -0.849 37.609 38.487 -0.048 0.000 1.107 877 N HN 0.342 nan 8.380 nan 0.000 0.519 878 F N -1.245 118.773 119.950 0.115 0.000 2.825 878 F HA -0.306 4.221 4.527 0.000 0.000 0.358 878 F C 0.456 176.279 175.800 0.039 0.000 0.639 878 F CA 0.528 58.581 58.000 0.089 0.000 1.153 878 F CB -1.459 37.572 39.000 0.053 0.000 1.610 878 F HN 0.081 nan 8.300 nan 0.000 0.305 879 M N 0.083 119.800 119.600 0.196 0.000 2.227 879 M HA 0.303 4.783 4.480 -0.000 0.000 0.316 879 M C 0.605 176.945 176.300 0.066 0.000 1.144 879 M CA 0.009 55.381 55.300 0.120 0.000 1.121 879 M CB 0.928 33.608 32.600 0.134 0.000 1.440 879 M HN -0.089 nan 8.290 nan 0.000 0.473 880 S N 2.197 117.918 115.700 0.034 0.000 2.411 880 S HA 0.407 4.877 4.470 -0.000 0.000 0.294 880 S C 0.215 174.828 174.600 0.021 0.000 1.115 880 S CA -0.417 57.791 58.200 0.013 0.000 1.071 880 S CB 0.289 63.482 63.200 -0.011 0.000 0.967 880 S HN 0.651 nan 8.310 nan 0.000 0.488 881 M N 2.388 121.999 119.600 0.018 0.000 2.504 881 M HA 0.327 4.807 4.480 -0.000 0.000 0.370 881 M C 0.514 176.824 176.300 0.018 0.000 1.110 881 M CA -0.202 55.109 55.300 0.018 0.000 0.938 881 M CB 0.977 33.586 32.600 0.014 0.000 1.460 881 M HN 0.816 nan 8.290 nan 0.000 0.535 882 G N -0.172 108.639 108.800 0.018 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 0.094 175.018 174.900 0.040 0.000 1.603 882 G CA -0.498 44.620 45.100 0.029 0.000 0.961 882 G HN 0.098 nan 8.290 nan 0.000 0.686 883 A N 0.441 123.299 122.820 0.063 0.000 1.892 883 A HA 0.109 4.429 4.320 -0.000 0.000 0.218 883 A C 1.645 179.367 177.584 0.230 0.000 1.188 883 A CA 2.162 54.253 52.037 0.090 0.000 0.631 883 A CB -0.304 18.796 19.000 0.167 0.000 0.822 883 A HN 1.793 nan 8.150 nan 0.000 0.447 884 L N 2.287 123.685 121.223 0.291 0.000 2.334 884 L HA 0.292 4.632 4.340 -0.000 0.000 0.286 884 L C 0.902 177.845 176.870 0.121 0.000 1.108 884 L CA 0.311 55.307 54.840 0.260 0.000 0.875 884 L CB -0.429 41.677 42.059 0.078 0.000 1.246 884 L HN 0.432 nan 8.230 nan 0.000 0.439 885 T N 0.019 114.635 114.554 0.104 0.000 2.795 885 T HA 0.048 4.398 4.350 -0.000 0.000 0.314 885 T C 1.109 175.822 174.700 0.023 0.000 1.069 885 T CA 0.186 62.312 62.100 0.043 0.000 1.071 885 T CB 0.506 69.389 68.868 0.026 0.000 0.988 885 T HN 0.692 nan 8.240 nan 0.000 0.543 886 D N 1.230 121.623 120.400 -0.010 0.000 2.117 886 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 886 D C 2.073 178.352 176.300 -0.035 0.000 0.982 886 D CA 1.109 55.099 54.000 -0.017 0.000 0.828 886 D CB -0.606 40.177 40.800 -0.027 0.000 0.967 886 D HN 0.568 nan 8.370 nan 0.000 0.464 887 L N 0.390 121.533 121.223 -0.133 0.000 2.141 887 L HA 0.066 4.406 4.340 -0.000 0.000 0.209 887 L C 2.672 179.402 176.870 -0.234 0.000 1.094 887 L CA 1.184 55.860 54.840 -0.273 0.000 0.763 887 L CB -0.678 40.863 42.059 -0.864 0.000 0.908 887 L HN 0.200 nan 8.230 nan 0.000 0.437 888 G N -0.927 107.846 108.800 -0.045 0.000 2.470 888 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 888 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 888 G C 1.425 176.385 174.900 0.101 0.000 1.121 888 G CA 0.361 45.514 45.100 0.088 0.000 0.766 888 G HN 0.417 nan 8.290 nan 0.000 0.553 889 Q N -0.178 119.672 119.800 0.084 0.000 2.179 889 Q HA 0.149 4.489 4.340 -0.000 0.000 0.213 889 Q C 0.206 176.287 176.000 0.136 0.000 0.833 889 Q CA -0.460 55.403 55.803 0.099 0.000 0.990 889 Q CB -0.048 28.723 28.738 0.055 0.000 1.132 889 Q HN 0.466 nan 8.270 nan 0.000 0.493 890 N N 0.541 119.367 118.700 0.211 0.000 2.405 890 N HA 0.040 4.780 4.740 -0.000 0.000 0.260 890 N C 1.069 176.740 175.510 0.269 0.000 1.152 890 N CA -0.084 53.117 53.050 0.253 0.000 0.948 890 N CB 0.457 39.156 38.487 0.353 0.000 1.111 890 N HN 0.265 nan 8.380 nan 0.000 0.485 891 L N 2.849 124.162 121.223 0.151 0.000 2.077 891 L HA -0.354 3.986 4.340 -0.000 0.000 0.231 891 L C 2.248 179.191 176.870 0.122 0.000 1.100 891 L CA 1.351 56.260 54.840 0.115 0.000 0.819 891 L CB -0.799 41.298 42.059 0.063 0.000 0.913 891 L HN 0.648 nan 8.230 nan 0.000 0.446 892 L N -1.080 120.183 121.223 0.067 0.000 2.123 892 L HA -0.304 4.036 4.340 -0.000 0.000 0.217 892 L C 2.142 179.028 176.870 0.026 0.000 1.081 892 L CA 2.018 56.839 54.840 -0.032 0.000 0.772 892 L CB -0.643 41.308 42.059 -0.180 0.000 0.890 892 L HN 0.160 nan 8.230 nan 0.000 0.437 893 Y N -0.554 119.893 120.300 0.245 0.000 2.256 893 Y HA 0.185 4.735 4.550 -0.000 0.000 0.267 893 Y C 2.454 178.550 175.900 0.326 0.000 1.069 893 Y CA 1.154 59.539 58.100 0.476 0.000 1.070 893 Y CB -1.278 37.379 38.460 0.328 0.000 1.020 893 Y HN 0.099 nan 8.280 nan 0.000 0.476 894 A N -0.013 123.053 122.820 0.409 0.000 2.292 894 A HA -0.177 4.143 4.320 -0.000 0.000 0.209 894 A C 1.439 179.097 177.584 0.122 0.000 1.209 894 A CA 1.723 53.893 52.037 0.222 0.000 0.746 894 A CB -1.121 17.981 19.000 0.171 0.000 0.764 894 A HN 0.656 nan 8.150 nan 0.000 0.492 895 N N -0.913 117.854 118.700 0.111 0.000 2.439 895 N HA 0.043 4.783 4.740 -0.000 0.000 0.176 895 N C 0.047 175.544 175.510 -0.020 0.000 1.029 895 N CA 0.851 53.925 53.050 0.040 0.000 0.886 895 N CB 0.358 38.869 38.487 0.039 0.000 1.057 895 N HN 0.454 nan 8.380 nan 0.000 0.437 896 S N -0.808 114.838 115.700 -0.090 0.000 2.533 896 S HA 0.726 5.196 4.470 -0.000 0.000 0.271 896 S C -0.789 173.514 174.600 -0.496 0.000 1.143 896 S CA -1.096 56.991 58.200 -0.188 0.000 0.891 896 S CB 1.563 64.686 63.200 -0.128 0.000 1.105 896 S HN 0.191 nan 8.310 nan 0.000 0.468 897 A N 1.843 124.460 122.820 -0.340 0.000 2.466 897 A HA 0.622 4.942 4.320 -0.000 0.000 0.238 897 A C -0.191 177.190 177.584 -0.338 0.000 1.074 897 A CA 0.172 52.013 52.037 -0.327 0.000 0.774 897 A CB -0.490 18.453 19.000 -0.096 0.000 1.015 897 A HN 1.426 nan 8.150 nan 0.000 0.498 898 H N -1.402 117.862 119.070 0.323 0.000 3.087 898 H HA 0.647 5.203 4.556 -0.000 0.000 0.348 898 H C -0.231 175.381 175.328 0.473 0.000 1.092 898 H CA -0.460 55.768 56.048 0.300 0.000 1.285 898 H CB 0.081 29.948 29.762 0.175 0.000 1.875 898 H HN 0.827 nan 8.280 nan 0.000 0.512 899 A N 1.876 124.956 122.820 0.434 0.000 2.292 899 A HA 0.565 4.885 4.320 -0.000 0.000 0.265 899 A C -0.551 177.149 177.584 0.193 0.000 1.133 899 A CA -0.301 51.941 52.037 0.342 0.000 0.807 899 A CB 0.257 19.371 19.000 0.190 0.000 1.102 899 A HN 0.748 nan 8.150 nan 0.000 0.502 900 L N 0.297 121.573 121.223 0.089 0.000 2.555 900 L HA 0.427 4.767 4.340 -0.000 0.000 0.264 900 L C -1.848 174.966 176.870 -0.093 0.000 0.972 900 L CA -0.252 54.451 54.840 -0.230 0.000 0.876 900 L CB 1.768 43.625 42.059 -0.336 0.000 1.216 900 L HN 0.611 nan 8.230 nan 0.000 0.415 901 D N 5.801 126.106 120.400 -0.158 0.000 2.177 901 D HA 0.537 5.177 4.640 -0.000 0.000 0.247 901 D C -0.540 175.657 176.300 -0.172 0.000 1.063 901 D CA 0.080 54.021 54.000 -0.098 0.000 0.867 901 D CB 2.146 42.905 40.800 -0.068 0.000 1.168 901 D HN 0.519 nan 8.370 nan 0.000 0.445 902 M N 0.802 120.318 119.600 -0.141 0.000 2.457 902 M HA 0.275 4.755 4.480 -0.000 0.000 0.300 902 M C -1.039 175.145 176.300 -0.193 0.000 1.141 902 M CA -0.490 54.658 55.300 -0.253 0.000 0.901 902 M CB 2.612 35.072 32.600 -0.234 0.000 1.687 902 M HN 0.085 nan 8.290 nan 0.000 0.449 903 T N 3.186 117.548 114.554 -0.321 0.000 2.906 903 T HA 0.561 4.911 4.350 -0.000 0.000 0.302 903 T C -1.160 173.359 174.700 -0.302 0.000 1.002 903 T CA -0.360 61.630 62.100 -0.183 0.000 0.988 903 T CB 0.429 69.218 68.868 -0.132 0.000 0.972 903 T HN 0.265 nan 8.240 nan 0.000 0.447 904 F N 1.963 121.818 119.950 -0.159 0.000 2.421 904 F HA 0.531 5.058 4.527 -0.000 0.000 0.337 904 F C 0.772 176.518 175.800 -0.090 0.000 1.105 904 F CA -1.098 56.822 58.000 -0.133 0.000 1.049 904 F CB 1.365 40.306 39.000 -0.099 0.000 1.139 904 F HN 0.454 nan 8.300 nan 0.000 0.479 905 E N 3.003 123.253 120.200 0.084 0.000 2.176 905 E HA 0.650 5.000 4.350 -0.000 0.000 0.267 905 E C -1.504 175.099 176.600 0.004 0.000 0.893 905 E CA -0.741 55.669 56.400 0.018 0.000 0.761 905 E CB 1.618 31.304 29.700 -0.024 0.000 1.133 905 E HN 0.532 nan 8.360 nan 0.000 0.409 906 V N 0.568 120.444 119.914 -0.062 0.000 3.141 906 V HA 0.546 4.666 4.120 -0.000 0.000 0.312 906 V C -0.645 175.377 176.094 -0.121 0.000 1.157 906 V CA -1.115 61.090 62.300 -0.159 0.000 1.041 906 V CB 1.872 33.499 31.823 -0.326 0.000 1.071 906 V HN 0.575 nan 8.190 nan 0.000 0.441 907 D N 3.140 123.456 120.400 -0.140 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 -0.089 0.000 1.128 907 D CA -0.879 53.068 54.000 -0.089 0.000 0.884 907 D CB 1.145 41.895 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 -0.030 0.000 1.227 908 P CA -0.260 62.816 63.100 -0.040 0.000 0.781 908 P CB 0.931 32.619 31.700 -0.020 0.000 0.906 909 M N 2.014 121.596 119.600 -0.030 0.000 2.395 909 M HA 0.170 4.650 4.480 -0.000 0.000 0.307 909 M C 0.145 176.445 176.300 -0.000 0.000 1.091 909 M CA -0.607 54.686 55.300 -0.011 0.000 0.919 909 M CB 2.001 34.586 32.600 -0.025 0.000 1.662 909 M HN 0.248 nan 8.290 nan 0.000 0.440 910 D N 0.826 121.236 120.400 0.017 0.000 2.494 910 D HA 0.013 4.653 4.640 -0.000 0.000 0.249 910 D C -0.299 176.008 176.300 0.011 0.000 1.223 910 D CA 0.060 54.070 54.000 0.017 0.000 0.865 910 D CB -0.150 40.668 40.800 0.029 0.000 0.974 910 D HN 0.636 nan 8.370 nan 0.000 0.491 911 E N -1.835 118.366 120.200 0.003 0.000 2.390 911 E HA 0.398 4.748 4.350 -0.000 0.000 0.280 911 E C -3.258 173.335 176.600 -0.011 0.000 0.992 911 E CA -2.455 53.944 56.400 -0.002 0.000 0.790 911 E CB 0.942 30.646 29.700 0.005 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 -0.639 176.650 177.300 -0.019 0.000 1.195 912 P CA 0.473 63.562 63.100 -0.019 0.000 0.762 912 P CB 0.701 32.388 31.700 -0.022 0.000 0.799 913 T N 0.923 115.465 114.554 -0.021 0.000 2.773 913 T HA 0.805 5.155 4.350 -0.000 0.000 0.278 913 T C -0.792 173.904 174.700 -0.007 0.000 1.011 913 T CA -0.903 61.185 62.100 -0.020 0.000 1.014 913 T CB 0.885 69.727 68.868 -0.043 0.000 1.293 913 T HN 0.111 nan 8.240 nan 0.000 0.554 914 L N 0.644 121.874 121.223 0.012 0.000 2.455 914 L HA 0.573 4.913 4.340 -0.000 0.000 0.264 914 L C -1.386 175.540 176.870 0.094 0.000 0.968 914 L CA -1.216 53.650 54.840 0.044 0.000 0.827 914 L CB 2.282 44.359 42.059 0.030 0.000 1.317 914 L HN 0.602 nan 8.230 nan 0.000 0.407 915 L N 3.074 124.366 121.223 0.115 0.000 2.260 915 L HA 0.306 4.646 4.340 -0.000 0.000 0.289 915 L C -0.982 176.056 176.870 0.281 0.000 1.057 915 L CA 0.299 55.215 54.840 0.126 0.000 0.811 915 L CB 0.407 42.430 42.059 -0.060 0.000 1.184 915 L HN 0.492 nan 8.230 nan 0.000 0.429 916 Y N 5.881 126.271 120.300 0.151 0.000 2.434 916 Y HA 0.590 5.140 4.550 -0.000 0.000 0.341 916 Y C -0.976 175.017 175.900 0.156 0.000 0.965 916 Y CA -1.137 57.070 58.100 0.179 0.000 1.205 916 Y CB 1.039 39.621 38.460 0.204 0.000 1.121 916 Y HN 0.387 nan 8.280 nan 0.000 0.507 917 V N 7.493 127.632 119.914 0.375 0.000 2.417 917 V HA 0.269 4.388 4.120 -0.000 0.000 0.291 917 V C -0.337 175.784 176.094 0.046 0.000 1.024 917 V CA -0.880 61.482 62.300 0.103 0.000 0.861 917 V CB 1.535 33.416 31.823 0.098 0.000 0.985 917 V HN 0.625 nan 8.190 nan 0.000 0.436 918 L N 5.235 126.357 121.223 -0.168 0.000 2.265 918 L HA 0.512 4.852 4.340 -0.000 0.000 0.289 918 L C -0.679 176.104 176.870 -0.146 0.000 1.033 918 L CA 0.020 54.792 54.840 -0.114 0.000 0.814 918 L CB 0.936 42.856 42.059 -0.232 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 -0.020 0.000 2.368 919 F HA 0.234 4.761 4.527 -0.000 0.000 0.362 919 F C 1.118 176.854 175.800 -0.108 0.000 1.137 919 F CA -0.559 57.426 58.000 -0.025 0.000 1.161 919 F CB 0.595 39.402 39.000 -0.321 0.000 1.265 919 F HN 0.434 nan 8.300 nan 0.000 0.530 920 E N 3.514 123.652 120.200 -0.104 0.000 2.351 920 E HA 0.311 4.661 4.350 -0.000 0.000 0.266 920 E C 0.008 176.475 176.600 -0.222 0.000 1.031 920 E CA -0.149 56.099 56.400 -0.253 0.000 0.911 920 E CB 0.901 30.364 29.700 -0.395 0.000 0.986 920 E HN 0.504 nan 8.360 nan 0.000 0.446 921 V N 0.165 119.966 119.914 -0.188 0.000 3.109 921 V HA 0.581 4.701 4.120 -0.000 0.000 0.311 921 V C -1.200 174.705 176.094 -0.314 0.000 1.389 921 V CA -1.080 61.166 62.300 -0.091 0.000 1.034 921 V CB 1.068 32.959 31.823 0.114 0.000 1.105 921 V HN 0.414 nan 8.190 nan 0.000 0.477 922 F N 1.004 120.949 119.950 -0.008 0.000 2.426 922 F HA 0.691 5.218 4.527 0.000 0.000 0.348 922 F C -0.295 175.493 175.800 -0.020 0.000 1.124 922 F CA -0.142 57.838 58.000 -0.033 0.000 1.008 922 F CB 1.519 40.513 39.000 -0.010 0.000 1.139 922 F HN 0.583 nan 8.300 nan 0.000 0.452 923 D N 4.075 124.493 120.400 0.029 0.000 2.462 923 D HA 0.458 5.098 4.640 -0.000 0.000 0.249 923 D C -1.021 175.265 176.300 -0.022 0.000 1.117 923 D CA 0.021 54.011 54.000 -0.017 0.000 0.900 923 D CB 1.037 41.709 40.800 -0.213 0.000 1.039 923 D HN 0.152 nan 8.370 nan 0.000 0.516 924 V N 1.910 121.927 119.914 0.173 0.000 3.019 924 V HA 0.725 4.845 4.120 -0.000 0.000 0.317 924 V C -0.059 176.186 176.094 0.252 0.000 1.094 924 V CA -0.868 61.562 62.300 0.216 0.000 1.000 924 V CB 2.348 34.262 31.823 0.151 0.000 1.060 924 V HN 0.232 nan 8.190 nan 0.000 0.443 925 V N 1.804 121.825 119.914 0.179 0.000 2.851 925 V HA 0.541 4.662 4.120 -0.000 0.000 0.307 925 V C -0.578 175.503 176.094 -0.021 0.000 1.129 925 V CA -0.735 61.526 62.300 -0.064 0.000 0.932 925 V CB 2.072 33.707 31.823 -0.313 0.000 1.024 925 V HN 0.872 nan 8.190 nan 0.000 0.426 926 R N 2.587 123.052 120.500 -0.059 0.000 2.437 926 R HA 0.790 5.130 4.340 -0.000 0.000 0.310 926 R C -1.617 174.682 176.300 -0.002 0.000 0.955 926 R CA -0.382 55.700 56.100 -0.030 0.000 0.851 926 R CB 1.924 32.206 30.300 -0.030 0.000 1.161 926 R HN 0.581 nan 8.270 nan 0.000 0.446 927 V N 4.542 124.481 119.914 0.042 0.000 2.435 927 V HA 0.307 4.427 4.120 -0.000 0.000 0.290 927 V C -0.130 176.046 176.094 0.136 0.000 1.030 927 V CA -0.622 61.731 62.300 0.088 0.000 0.881 927 V CB 1.291 33.190 31.823 0.126 0.000 0.983 927 V HN 0.722 nan 8.190 nan 0.000 0.445 928 H N 5.483 124.566 119.070 0.022 0.000 2.489 928 H HA 0.559 5.115 4.556 -0.000 0.000 0.343 928 H C -0.555 174.791 175.328 0.030 0.000 1.086 928 H CA -0.933 55.124 56.048 0.016 0.000 1.198 928 H CB 1.383 31.154 29.762 0.014 0.000 1.490 928 H HN 0.535 nan 8.280 nan 0.000 0.504 929 R N 5.675 125.989 120.500 -0.310 0.000 2.681 929 R HA 0.149 4.489 4.340 -0.000 0.000 0.277 929 R C -2.038 174.022 176.300 -0.399 0.000 1.563 929 R CA -1.540 54.413 56.100 -0.244 0.000 1.673 929 R CB 1.230 31.494 30.300 -0.060 0.000 1.258 929 R HN 0.576 nan 8.270 nan 0.000 0.650 930 P HA -0.158 nan 4.420 nan 0.000 0.216 930 P C -0.325 176.510 177.300 -0.775 0.000 1.150 930 P CA 1.538 64.217 63.100 -0.702 0.000 0.843 930 P CB 0.411 31.771 31.700 -0.566 0.000 0.787 931 H N -3.373 115.648 119.070 -0.081 0.000 2.977 931 H HA 0.420 4.976 4.556 -0.000 0.000 0.350 931 H C -0.041 175.275 175.328 -0.019 0.000 1.238 931 H CA -1.064 54.963 56.048 -0.035 0.000 1.124 931 H CB 0.957 30.706 29.762 -0.023 0.000 1.866 931 H HN -0.195 nan 8.280 nan 0.000 0.550 932 R N 0.757 121.331 120.500 0.122 0.000 2.504 932 R HA 0.146 4.486 4.340 -0.000 0.000 0.291 932 R C 0.488 176.787 176.300 -0.002 0.000 0.974 932 R CA 1.446 57.576 56.100 0.050 0.000 1.077 932 R CB -0.436 29.881 30.300 0.027 0.000 0.926 932 R HN 1.063 nan 8.270 nan 0.000 0.407 933 G N 2.476 111.228 108.800 -0.080 0.000 2.168 933 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.257 933 G HA3 -0.252 3.708 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 0.252 45.190 45.100 -0.270 0.000 0.708 933 G HN 0.511 nan 8.290 nan 0.000 0.520 934 V N 1.209 121.164 119.914 0.069 0.000 2.487 934 V HA 0.676 4.796 4.120 -0.000 0.000 0.298 934 V C 0.228 176.406 176.094 0.141 0.000 1.028 934 V CA -0.739 61.623 62.300 0.104 0.000 0.860 934 V CB 1.857 33.743 31.823 0.104 0.000 0.991 934 V HN 0.297 nan 8.190 nan 0.000 0.427 935 I N 4.397 125.064 120.570 0.161 0.000 2.439 935 I HA 0.518 4.688 4.170 -0.000 0.000 0.285 935 I C -0.416 175.778 176.117 0.127 0.000 1.021 935 I CA -0.437 60.946 61.300 0.138 0.000 1.091 935 I CB 1.987 40.079 38.000 0.153 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 0.126 0.000 2.199 936 E HA 0.575 4.925 4.350 -0.000 0.000 0.269 936 E C -0.739 175.949 176.600 0.146 0.000 0.899 936 E CA -0.786 55.704 56.400 0.150 0.000 0.772 936 E CB 2.604 32.414 29.700 0.183 0.000 1.155 936 E HN 0.628 nan 8.360 nan 0.000 0.408 937 T N -1.636 113.003 114.554 0.142 0.000 2.893 937 T HA 0.605 4.955 4.350 -0.000 0.000 0.291 937 T C -0.575 174.196 174.700 0.118 0.000 1.028 937 T CA -0.792 61.365 62.100 0.096 0.000 0.995 937 T CB 1.369 70.283 68.868 0.077 0.000 1.051 937 T HN 0.146 nan 8.240 nan 0.000 0.470 938 V N 2.761 122.697 119.914 0.037 0.000 2.443 938 V HA 0.417 4.537 4.120 -0.000 0.000 0.293 938 V C -1.347 174.781 176.094 0.056 0.000 1.021 938 V CA -0.904 61.451 62.300 0.093 0.000 0.848 938 V CB 0.767 32.623 31.823 0.056 0.000 0.998 938 V HN 0.921 nan 8.190 nan 0.000 0.424 939 Y N 4.993 125.367 120.300 0.123 0.000 2.342 939 Y HA 0.752 5.302 4.550 -0.000 0.000 0.334 939 Y C -0.177 175.804 175.900 0.135 0.000 1.067 939 Y CA -0.685 57.511 58.100 0.160 0.000 1.128 939 Y CB 1.927 40.497 38.460 0.183 0.000 1.200 939 Y HN 0.531 nan 8.280 nan 0.000 0.464 940 L N 4.695 126.093 121.223 0.292 0.000 2.516 940 L HA 0.524 4.864 4.340 -0.000 0.000 0.267 940 L C -1.412 175.585 176.870 0.212 0.000 0.957 940 L CA -0.746 54.216 54.840 0.203 0.000 0.860 940 L CB 1.642 43.778 42.059 0.127 0.000 1.265 940 L HN 0.659 nan 8.230 nan 0.000 0.403 941 R N 3.227 123.841 120.500 0.191 0.000 2.435 941 R HA 0.669 5.009 4.340 -0.000 0.000 0.308 941 R C -1.423 174.978 176.300 0.167 0.000 0.975 941 R CA -0.058 56.154 56.100 0.187 0.000 0.867 941 R CB 1.392 31.802 30.300 0.184 0.000 1.171 941 R HN 0.804 nan 8.270 nan 0.000 0.470 942 T N 3.525 118.196 114.554 0.194 0.000 2.921 942 T HA 0.542 4.892 4.350 -0.000 0.000 0.297 942 T C -2.762 172.097 174.700 0.264 0.000 1.013 942 T CA -1.928 60.278 62.100 0.177 0.000 0.990 942 T CB 2.174 71.111 68.868 0.115 0.000 1.023 942 T HN 0.279 nan 8.240 nan 0.000 0.447 943 P HA 0.440 nan 4.420 nan 0.000 0.296 943 P C -0.286 177.153 177.300 0.231 0.000 1.295 943 P CA -0.245 62.935 63.100 0.134 0.000 0.754 943 P CB -0.057 31.672 31.700 0.048 0.000 1.311 944 F N -2.914 116.919 119.950 -0.195 0.000 3.027 944 F HA -0.225 4.302 4.527 -0.000 0.000 0.276 944 F C 1.151 176.914 175.800 -0.061 0.000 0.967 944 F CA 0.582 58.484 58.000 -0.164 0.000 0.929 944 F CB -2.702 36.209 39.000 -0.149 0.000 0.873 944 F HN 0.132 nan 8.300 nan 0.000 0.787 945 S N -0.125 115.600 115.700 0.041 0.000 2.622 945 S HA 0.427 4.897 4.470 -0.000 0.000 0.251 945 S C 1.251 175.898 174.600 0.079 0.000 1.402 945 S CA -0.093 58.146 58.200 0.065 0.000 0.972 945 S CB 0.956 64.169 63.200 0.021 0.000 0.913 945 S HN 0.798 nan 8.310 nan 0.000 0.573 946 A N 1.442 124.312 122.820 0.084 0.000 2.536 946 A HA 0.755 5.075 4.320 -0.000 0.000 0.219 946 A C 1.083 178.694 177.584 0.044 0.000 1.926 946 A CA 0.520 52.602 52.037 0.076 0.000 0.710 946 A CB -0.969 18.086 19.000 0.091 0.000 1.364 946 A HN 1.626 nan 8.150 nan 0.000 0.522 947 G N -1.681 107.144 108.800 0.042 0.000 2.782 947 G HA2 0.427 4.387 3.960 -0.000 0.000 0.304 947 G HA3 0.427 4.387 3.960 -0.000 0.000 0.304 947 G C -0.772 174.146 174.900 0.030 0.000 1.315 947 G CA 0.089 45.204 45.100 0.025 0.000 0.791 947 G HN 1.366 nan 8.290 nan 0.000 0.519 948 N N -1.087 117.626 118.700 0.021 0.000 2.889 948 N HA -0.084 4.656 4.740 -0.000 0.000 0.286 948 N C 0.652 176.175 175.510 0.022 0.000 1.721 948 N CA 0.736 53.800 53.050 0.024 0.000 1.506 948 N CB -0.576 37.933 38.487 0.036 0.000 0.882 948 N HN 1.300 nan 8.380 nan 0.000 0.501 949 A N 3.313 126.141 122.820 0.014 0.000 1.920 949 A HA 0.304 4.624 4.320 -0.000 0.000 0.209 949 A C 1.129 178.721 177.584 0.013 0.000 1.229 949 A CA 1.892 53.935 52.037 0.010 0.000 0.671 949 A CB 0.415 19.416 19.000 0.002 0.000 0.886 949 A HN 0.828 nan 8.150 nan 0.000 0.461 950 T N 0.000 114.562 114.554 0.013 0.000 3.816 950 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 950 T CA 0.000 62.108 62.100 0.014 0.000 1.349 950 T CB 0.000 68.874 68.868 0.009 0.000 0.612 950 T HN 0.000 nan 8.240 nan 0.000 0.658