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_G DATA FIRST_RESID 5 DATA SEQUENCE MMPQWSYMHI SGQDASEYLS PGLVQFARAT ETYFSLNNKF RNPTVAPTHD DATA SEQUENCE VTTDRSQRLT LRFIPVDRED TAYSYKARFT LAVGDNRVLD MASTYFDIRG DATA SEQUENCE VLDRGPTFKP YSGTAYNALA PKGAPNPCEW DXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX THVFGQAPYS GINITKEGIQ IGVEGQTPKY ADKTFQPEPQ DATA SEQUENCE IGESQWYETE INHAAGRVLK KTTPMKPCYG SYAKPTNENG GQGILVKQQN DATA SEQUENCE GKLESQVEMQ FFSTTEATAG NGDNLTPKVV LYSEDVDIET PDTHISYMPT DATA SEQUENCE IKEGNSRELM GQQSMPNRPN YIAFRDNFIG LMYYNSTGNM GVLAGQASQL DATA SEQUENCE NAVVDLQDRN TELSYQLLLD SIGDRTRYFS MWNQAVDSYD PDVRIIENHG DATA SEQUENCE TEDELPNYCF PLGGVINTET LTKVKPKTGQ ENGWEKDATE FSDKNEIRVG DATA SEQUENCE NNFAMEINLN ANLWRNFLYS NIALYLPDKL KYSPSNVKIS DNPNTYDYMN DATA SEQUENCE KRVVAPGLVD CYINLGARWS LDYMDNVNPF NHHRNAGLRY RSMLLGNGRY DATA SEQUENCE VPFHIQVPQK FFAIKNLLLL PGSYTYEWNF RKDVNMVLQS SLGNDLRVDG DATA SEQUENCE ASIKFDSICL YATFFPMAHN TASTLEAMLR NDTNDQSFND YLSAANMLYP DATA SEQUENCE IPANATNVPI SIPSRNWAAF RGWAFTRLKT KETPSLGSGY DPYYTYSGSI DATA SEQUENCE PYLDGTFYLN HTFKKVAITF DSSVSWPGND RLLTPNEFEI KRSVDGEGYN DATA SEQUENCE VAQCNMTKDW FLVQMLANYN IGYQGFYIPE SYKDRMYSFF RNFQPMSRQV DATA SEQUENCE VDDTKYKDYQ QVGILHQHNN SGFVGYLAPT MREGQAYPAN FPYPLIGKTA DATA SEQUENCE VDSITQKKFL CDRTLWRIPF SSNFMSMGAL TDLGQNLLYA NSAHALDMTF DATA SEQUENCE EVDPMDEPTL LYVLFEVFDV VRVHRPHRGV IETVYLRTPF SAGNAT 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.017 176.300 -0.471 0.000 1.140 5 M CA 0.000 54.876 55.300 -0.706 0.000 0.988 5 M CB 0.000 32.245 32.600 -0.592 0.000 1.302 6 M N -1.148 118.160 119.600 -0.486 0.000 7.319 6 M HA -0.138 4.342 4.480 -0.000 0.000 0.546 6 M C -1.807 174.447 176.300 -0.076 0.000 0.480 6 M CA 1.087 56.286 55.300 -0.168 0.000 1.311 6 M CB -2.896 29.629 32.600 -0.124 0.000 0.421 6 M HN 0.437 nan 8.290 nan 0.000 0.276 7 P HA -0.124 nan 4.420 nan 0.000 0.218 7 P C 1.592 178.889 177.300 -0.005 0.000 1.146 7 P CA 1.814 64.891 63.100 -0.038 0.000 0.813 7 P CB -0.080 31.580 31.700 -0.067 0.000 0.778 8 Q N -1.696 118.071 119.800 -0.054 0.000 1.994 8 Q HA -0.098 4.242 4.340 -0.000 0.000 0.198 8 Q C 1.928 178.048 176.000 0.201 0.000 0.976 8 Q CA 1.549 57.366 55.803 0.024 0.000 0.828 8 Q CB -1.050 27.645 28.738 -0.072 0.000 0.894 8 Q HN 0.236 nan 8.270 nan 0.000 0.432 9 W N 0.188 121.499 121.300 0.019 0.000 2.353 9 W HA -0.043 4.617 4.660 -0.000 0.000 0.319 9 W C 2.591 179.091 176.519 -0.030 0.000 1.207 9 W CA 1.180 58.528 57.345 0.005 0.000 1.291 9 W CB -1.668 27.799 29.460 0.012 0.000 1.159 9 W HN 0.187 nan 8.180 nan 0.000 0.478 10 S N -0.295 115.538 115.700 0.221 0.000 2.378 10 S HA -0.354 4.116 4.470 -0.000 0.000 0.229 10 S C 1.952 176.475 174.600 -0.128 0.000 1.052 10 S CA 2.129 60.367 58.200 0.063 0.000 1.084 10 S CB -0.999 62.239 63.200 0.064 0.000 0.950 10 S HN 0.271 nan 8.310 nan 0.000 0.440 11 Y N 0.923 121.123 120.300 -0.167 0.000 2.224 11 Y HA 0.059 4.609 4.550 -0.000 0.000 0.289 11 Y C 2.004 177.692 175.900 -0.354 0.000 1.146 11 Y CA 1.735 59.680 58.100 -0.259 0.000 1.182 11 Y CB -0.161 38.224 38.460 -0.125 0.000 0.983 11 Y HN 0.271 nan 8.280 nan 0.000 0.524 12 M N -0.388 119.090 119.600 -0.203 0.000 2.495 12 M HA 0.032 4.512 4.480 -0.000 0.000 0.237 12 M C -0.046 176.175 176.300 -0.131 0.000 1.131 12 M CA 0.657 55.844 55.300 -0.188 0.000 1.032 12 M CB -1.115 31.513 32.600 0.047 0.000 1.513 12 M HN 0.388 nan 8.290 nan 0.000 0.488 13 H N -0.893 118.096 119.070 -0.134 0.000 2.936 13 H HA -0.144 4.412 4.556 -0.000 0.000 0.276 13 H C 1.162 176.456 175.328 -0.056 0.000 1.216 13 H CA 0.541 56.509 56.048 -0.132 0.000 1.132 13 H CB -1.500 28.151 29.762 -0.185 0.000 1.303 13 H HN 0.294 nan 8.280 nan 0.000 0.370 14 I N -0.141 120.450 120.570 0.034 0.000 2.546 14 I HA -0.069 4.101 4.170 -0.000 0.000 0.255 14 I C 1.601 177.649 176.117 -0.116 0.000 1.163 14 I CA 1.512 62.741 61.300 -0.118 0.000 1.457 14 I CB -0.344 37.456 38.000 -0.333 0.000 1.092 14 I HN 0.349 nan 8.210 nan 0.000 0.434 15 S N -1.183 114.550 115.700 0.055 0.000 2.705 15 S HA 0.799 5.269 4.470 -0.000 0.000 0.280 15 S C -0.009 174.681 174.600 0.149 0.000 1.174 15 S CA 0.025 58.290 58.200 0.108 0.000 0.823 15 S CB 2.291 65.631 63.200 0.234 0.000 1.162 15 S HN 0.545 nan 8.310 nan 0.000 0.487 16 G N 0.576 109.464 108.800 0.146 0.000 2.445 16 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.212 16 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.212 16 G C -1.038 173.959 174.900 0.162 0.000 1.217 16 G CA -0.260 44.928 45.100 0.148 0.000 1.002 16 G HN 0.975 nan 8.290 nan 0.000 0.574 17 Q N 0.351 120.277 119.800 0.211 0.000 2.249 17 Q HA 0.499 4.839 4.340 -0.000 0.000 0.226 17 Q C -0.513 175.656 176.000 0.281 0.000 0.983 17 Q CA -0.693 55.241 55.803 0.218 0.000 0.930 17 Q CB 0.856 29.730 28.738 0.228 0.000 1.193 17 Q HN 0.541 nan 8.270 nan 0.000 0.508 18 D N -0.346 120.145 120.400 0.152 0.000 2.354 18 D HA 0.148 4.788 4.640 -0.000 0.000 0.247 18 D C 0.604 176.828 176.300 -0.127 0.000 1.138 18 D CA 0.018 54.055 54.000 0.061 0.000 0.958 18 D CB 1.332 42.126 40.800 -0.010 0.000 1.144 18 D HN 0.675 nan 8.370 nan 0.000 0.458 19 A N 1.051 123.653 122.820 -0.365 0.000 1.948 19 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 19 A C 2.009 179.211 177.584 -0.636 0.000 1.177 19 A CA 2.411 53.894 52.037 -0.922 0.000 0.636 19 A CB -0.710 17.949 19.000 -0.569 0.000 0.815 19 A HN 0.569 nan 8.150 nan 0.000 0.449 20 S N -0.701 114.800 115.700 -0.331 0.000 2.500 20 S HA -0.128 4.342 4.470 -0.000 0.000 0.239 20 S C 1.400 175.896 174.600 -0.174 0.000 0.989 20 S CA 1.418 59.483 58.200 -0.225 0.000 0.951 20 S CB -0.219 62.900 63.200 -0.134 0.000 0.759 20 S HN 0.737 nan 8.310 nan 0.000 0.523 21 E N 0.105 120.211 120.200 -0.158 0.000 2.207 21 E HA 0.088 4.438 4.350 -0.000 0.000 0.197 21 E C 1.517 178.110 176.600 -0.012 0.000 0.914 21 E CA 0.494 56.863 56.400 -0.052 0.000 0.914 21 E CB -0.265 29.447 29.700 0.020 0.000 0.893 21 E HN 0.769 nan 8.360 nan 0.000 0.479 22 Y N 1.274 121.573 120.300 -0.002 0.000 2.578 22 Y HA 0.294 4.844 4.550 -0.000 0.000 0.297 22 Y C 0.071 175.968 175.900 -0.004 0.000 1.176 22 Y CA 0.049 58.178 58.100 0.047 0.000 1.315 22 Y CB -0.242 38.325 38.460 0.178 0.000 1.031 22 Y HN -0.192 nan 8.280 nan 0.000 0.524 23 L N 1.804 122.765 121.223 -0.437 0.000 2.322 23 L HA 0.343 4.683 4.340 -0.000 0.000 0.281 23 L C 0.351 177.080 176.870 -0.235 0.000 1.014 23 L CA -1.218 53.351 54.840 -0.451 0.000 0.815 23 L CB 1.619 43.194 42.059 -0.806 0.000 1.247 23 L HN 0.238 nan 8.230 nan 0.000 0.421 24 S N 2.278 117.891 115.700 -0.145 0.000 2.817 24 S HA -0.052 4.418 4.470 -0.000 0.000 0.333 24 S C -1.847 172.691 174.600 -0.103 0.000 1.227 24 S CA -0.723 57.424 58.200 -0.087 0.000 1.027 24 S CB 0.137 63.298 63.200 -0.064 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 1.884 179.159 177.300 -0.041 0.000 1.163 25 P CA 1.765 64.833 63.100 -0.054 0.000 0.889 25 P CB -0.528 31.154 31.700 -0.029 0.000 0.790 26 G N -0.035 108.749 108.800 -0.026 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 1.495 176.402 174.900 0.011 0.000 1.168 26 G CA 0.733 45.831 45.100 -0.002 0.000 0.771 26 G HN 0.214 nan 8.290 nan 0.000 0.551 27 L N 0.877 122.079 121.223 -0.035 0.000 2.046 27 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 27 L C 2.992 179.855 176.870 -0.011 0.000 1.077 27 L CA 1.448 56.265 54.840 -0.038 0.000 0.747 27 L CB -0.631 41.347 42.059 -0.135 0.000 0.896 27 L HN 0.104 nan 8.230 nan 0.000 0.432 28 V N -0.401 119.457 119.914 -0.093 0.000 2.287 28 V HA -0.368 3.752 4.120 -0.000 0.000 0.248 28 V C 2.586 178.663 176.094 -0.028 0.000 1.053 28 V CA 2.118 64.356 62.300 -0.103 0.000 1.027 28 V CB -0.792 30.948 31.823 -0.138 0.000 0.646 28 V HN 0.650 nan 8.190 nan 0.000 0.447 29 Q N -0.756 119.046 119.800 0.004 0.000 2.124 29 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 29 Q C 2.129 178.161 176.000 0.053 0.000 0.977 29 Q CA 2.199 58.013 55.803 0.019 0.000 0.850 29 Q CB -0.233 28.523 28.738 0.029 0.000 0.901 29 Q HN 0.662 nan 8.270 nan 0.000 0.429 30 F N 0.370 120.301 119.950 -0.031 0.000 2.186 30 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 30 F C 1.932 177.723 175.800 -0.014 0.000 1.090 30 F CA 1.363 59.359 58.000 -0.005 0.000 1.307 30 F CB -0.330 38.679 39.000 0.015 0.000 1.019 30 F HN 0.132 nan 8.300 nan 0.000 0.489 31 A N 0.457 123.335 122.820 0.097 0.000 1.969 31 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 31 A C 2.338 179.843 177.584 -0.131 0.000 1.169 31 A CA 1.473 53.506 52.037 -0.006 0.000 0.635 31 A CB -0.784 18.250 19.000 0.056 0.000 0.810 31 A HN 0.489 nan 8.150 nan 0.000 0.445 32 R N -0.577 119.855 120.500 -0.113 0.000 2.115 32 R HA 0.031 4.371 4.340 -0.000 0.000 0.226 32 R C 2.081 178.285 176.300 -0.160 0.000 1.100 32 R CA 1.194 57.224 56.100 -0.116 0.000 0.980 32 R CB -0.245 30.009 30.300 -0.077 0.000 0.875 32 R HN 0.419 nan 8.270 nan 0.000 0.445 33 A N -0.085 122.611 122.820 -0.207 0.000 2.021 33 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 33 A C 1.830 179.185 177.584 -0.382 0.000 1.163 33 A CA 1.260 53.165 52.037 -0.220 0.000 0.676 33 A CB -0.243 18.660 19.000 -0.163 0.000 0.818 33 A HN 0.514 nan 8.150 nan 0.000 0.453 34 T N -2.278 111.917 114.554 -0.599 0.000 3.129 34 T HA 0.086 4.436 4.350 -0.000 0.000 0.251 34 T C 0.971 175.278 174.700 -0.655 0.000 1.117 34 T CA 0.785 62.332 62.100 -0.922 0.000 1.034 34 T CB -0.012 68.295 68.868 -0.936 0.000 0.968 34 T HN 0.341 nan 8.240 nan 0.000 0.526 35 E N 2.420 122.388 120.200 -0.387 0.000 2.453 35 E HA -0.058 4.292 4.350 -0.000 0.000 0.207 35 E C 1.356 177.821 176.600 -0.225 0.000 1.212 35 E CA 0.907 57.161 56.400 -0.243 0.000 0.959 35 E CB -0.805 28.799 29.700 -0.160 0.000 0.957 35 E HN 0.821 nan 8.360 nan 0.000 0.540 36 T N -3.526 110.821 114.554 -0.345 0.000 3.330 36 T HA 0.028 4.378 4.350 -0.000 0.000 0.240 36 T C 1.663 176.316 174.700 -0.079 0.000 0.988 36 T CA 0.361 62.358 62.100 -0.171 0.000 1.253 36 T CB -0.727 68.115 68.868 -0.043 0.000 1.163 36 T HN 0.282 nan 8.240 nan 0.000 0.382 37 Y N 0.556 120.872 120.300 0.027 0.000 2.190 37 Y HA 0.600 5.150 4.550 -0.000 0.000 0.290 37 Y C 0.828 176.835 175.900 0.178 0.000 1.115 37 Y CA -0.915 57.236 58.100 0.086 0.000 1.107 37 Y CB -0.463 38.049 38.460 0.087 0.000 1.033 37 Y HN 0.161 nan 8.280 nan 0.000 0.502 38 F N 1.446 121.314 119.950 -0.136 0.000 2.420 38 F HA 0.540 5.067 4.527 -0.000 0.000 0.342 38 F C -0.168 175.558 175.800 -0.123 0.000 1.113 38 F CA -1.518 56.468 58.000 -0.024 0.000 1.059 38 F CB 1.632 40.719 39.000 0.145 0.000 1.128 38 F HN -0.087 nan 8.300 nan 0.000 0.475 39 S N 5.873 121.406 115.700 -0.279 0.000 2.530 39 S HA 0.511 4.981 4.470 -0.000 0.000 0.322 39 S C 0.279 174.775 174.600 -0.173 0.000 1.085 39 S CA -0.580 57.508 58.200 -0.187 0.000 1.096 39 S CB 0.476 63.578 63.200 -0.163 0.000 0.988 39 S HN 0.719 nan 8.310 nan 0.000 0.466 40 L N 4.427 125.653 121.223 0.005 0.000 2.693 40 L HA 0.251 4.591 4.340 -0.000 0.000 0.235 40 L C 1.752 178.729 176.870 0.179 0.000 1.127 40 L CA -0.168 54.748 54.840 0.127 0.000 0.914 40 L CB -0.169 42.107 42.059 0.361 0.000 1.193 40 L HN 0.513 nan 8.230 nan 0.000 0.502 41 N N 1.704 120.457 118.700 0.087 0.000 2.104 41 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 41 N C 1.456 177.007 175.510 0.068 0.000 1.024 41 N CA 1.702 54.809 53.050 0.094 0.000 0.853 41 N CB -0.475 38.019 38.487 0.012 0.000 1.008 41 N HN 0.496 nan 8.380 nan 0.000 0.424 42 N N 1.368 120.057 118.700 -0.018 0.000 2.571 42 N HA -0.086 4.654 4.740 -0.000 0.000 0.189 42 N C 0.510 175.947 175.510 -0.121 0.000 1.154 42 N CA 0.540 53.557 53.050 -0.056 0.000 0.907 42 N CB 0.037 38.480 38.487 -0.073 0.000 0.977 42 N HN 0.158 nan 8.380 nan 0.000 0.449 43 K N -0.202 120.068 120.400 -0.217 0.000 2.367 43 K HA 0.146 4.466 4.320 -0.000 0.000 0.194 43 K C -0.500 175.617 176.600 -0.806 0.000 1.027 43 K CA 0.101 56.054 56.287 -0.556 0.000 1.075 43 K CB 0.268 32.270 32.500 -0.831 0.000 0.845 43 K HN 0.173 nan 8.250 nan 0.000 0.529 44 F N 1.107 121.049 119.950 -0.013 0.000 2.536 44 F HA 0.355 4.882 4.527 0.000 0.000 0.322 44 F C 0.395 176.190 175.800 -0.008 0.000 1.144 44 F CA -1.435 56.569 58.000 0.007 0.000 0.924 44 F CB 1.271 40.242 39.000 -0.049 0.000 1.181 44 F HN -0.290 nan 8.300 nan 0.000 0.438 45 R N 2.444 123.041 120.500 0.162 0.000 2.590 45 R HA 0.260 4.600 4.340 -0.000 0.000 0.274 45 R C -0.951 175.399 176.300 0.085 0.000 1.061 45 R CA 0.068 56.221 56.100 0.088 0.000 1.081 45 R CB 0.123 30.469 30.300 0.078 0.000 0.984 45 R HN 0.593 nan 8.270 nan 0.000 0.448 46 N N 6.275 125.008 118.700 0.056 0.000 2.524 46 N HA 0.305 5.045 4.740 -0.000 0.000 0.261 46 N C -2.548 172.987 175.510 0.042 0.000 0.998 46 N CA -1.327 51.752 53.050 0.050 0.000 0.915 46 N CB 1.914 40.412 38.487 0.017 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 -0.545 176.764 177.300 0.014 0.000 1.223 47 P CA -0.091 63.028 63.100 0.032 0.000 0.784 47 P CB 0.770 32.504 31.700 0.057 0.000 0.923 48 T N -1.317 113.229 114.554 -0.014 0.000 2.879 48 T HA 0.542 4.892 4.350 -0.000 0.000 0.290 48 T C -0.527 174.155 174.700 -0.031 0.000 0.993 48 T CA -0.695 61.396 62.100 -0.014 0.000 0.975 48 T CB 0.850 69.707 68.868 -0.018 0.000 0.981 48 T HN 0.158 nan 8.240 nan 0.000 0.439 49 V N 2.104 122.010 119.914 -0.013 0.000 2.540 49 V HA 0.811 4.931 4.120 -0.000 0.000 0.302 49 V C 0.425 176.519 176.094 0.001 0.000 1.035 49 V CA -1.130 61.162 62.300 -0.014 0.000 0.873 49 V CB 1.594 33.426 31.823 0.015 0.000 0.992 49 V HN 1.275 nan 8.190 nan 0.000 0.428 50 A N 6.375 129.193 122.820 -0.002 0.000 2.327 50 A HA 0.826 5.146 4.320 -0.000 0.000 0.283 50 A C -1.713 175.883 177.584 0.020 0.000 1.127 50 A CA -1.243 50.799 52.037 0.008 0.000 0.810 50 A CB -0.032 18.971 19.000 0.006 0.000 1.066 50 A HN 0.747 nan 8.150 nan 0.000 0.492 51 P HA 0.081 nan 4.420 nan 0.000 0.270 51 P C 0.235 177.545 177.300 0.017 0.000 1.221 51 P CA 0.525 63.612 63.100 -0.021 0.000 0.788 51 P CB 0.348 31.996 31.700 -0.087 0.000 0.904 52 T N -3.292 111.296 114.554 0.056 0.000 3.460 52 T HA 0.243 4.593 4.350 -0.000 0.000 0.304 52 T C 0.077 174.911 174.700 0.223 0.000 0.991 52 T CA -0.508 61.673 62.100 0.135 0.000 0.975 52 T CB -0.856 68.114 68.868 0.169 0.000 1.196 52 T HN 0.887 nan 8.240 nan 0.000 0.490 53 H N -1.560 117.538 119.070 0.046 0.000 3.093 53 H HA 0.307 4.863 4.556 -0.000 0.000 0.312 53 H C -1.638 173.721 175.328 0.051 0.000 1.213 53 H CA -0.533 55.540 56.048 0.042 0.000 1.366 53 H CB 0.130 29.915 29.762 0.037 0.000 1.998 53 H HN 0.018 nan 8.280 nan 0.000 0.522 54 D N 1.262 121.713 120.400 0.085 0.000 2.775 54 D HA -0.107 4.533 4.640 -0.000 0.000 0.235 54 D C 0.529 176.846 176.300 0.028 0.000 1.120 54 D CA 1.185 55.215 54.000 0.050 0.000 0.708 54 D CB -1.517 39.304 40.800 0.035 0.000 1.084 54 D HN 0.411 nan 8.370 nan 0.000 0.434 55 V N -1.927 118.028 119.914 0.069 0.000 3.837 55 V HA 0.130 4.250 4.120 -0.000 0.000 0.182 55 V C 0.912 177.131 176.094 0.208 0.000 1.356 55 V CA 1.066 63.450 62.300 0.141 0.000 1.260 55 V CB 0.889 32.773 31.823 0.102 0.000 1.287 55 V HN 0.131 nan 8.190 nan 0.000 0.572 56 T N 0.806 115.416 114.554 0.094 0.000 2.940 56 T HA 0.494 4.844 4.350 -0.000 0.000 0.288 56 T C -0.300 174.391 174.700 -0.016 0.000 1.033 56 T CA -0.016 62.094 62.100 0.016 0.000 1.033 56 T CB 2.011 70.847 68.868 -0.054 0.000 1.079 56 T HN 0.361 nan 8.240 nan 0.000 0.496 57 T N 0.361 114.872 114.554 -0.072 0.000 2.922 57 T HA 0.227 4.577 4.350 -0.000 0.000 0.285 57 T C 0.208 174.833 174.700 -0.125 0.000 1.005 57 T CA -0.654 61.346 62.100 -0.166 0.000 1.061 57 T CB 0.427 69.092 68.868 -0.338 0.000 1.007 57 T HN 0.449 nan 8.240 nan 0.000 0.502 58 D N 1.481 121.805 120.400 -0.126 0.000 2.366 58 D HA 0.101 4.741 4.640 -0.000 0.000 0.205 58 D C 1.069 177.328 176.300 -0.069 0.000 1.022 58 D CA 0.206 54.162 54.000 -0.072 0.000 0.868 58 D CB 0.113 40.887 40.800 -0.043 0.000 0.953 58 D HN 0.643 nan 8.370 nan 0.000 0.514 59 R N 0.542 120.979 120.500 -0.105 0.000 2.560 59 R HA 0.355 4.695 4.340 -0.000 0.000 0.270 59 R C 0.349 176.630 176.300 -0.032 0.000 1.074 59 R CA -0.478 55.589 56.100 -0.055 0.000 1.140 59 R CB 0.753 31.032 30.300 -0.034 0.000 1.073 59 R HN -0.214 nan 8.270 nan 0.000 0.527 60 S N 0.836 116.533 115.700 -0.006 0.000 2.552 60 S HA -0.016 4.454 4.470 -0.000 0.000 0.289 60 S C -0.575 174.030 174.600 0.008 0.000 1.304 60 S CA 0.020 58.219 58.200 -0.002 0.000 1.063 60 S CB 0.193 63.394 63.200 0.001 0.000 0.848 60 S HN 0.618 nan 8.310 nan 0.000 0.499 61 Q N 2.864 122.662 119.800 -0.002 0.000 2.403 61 Q HA 0.280 4.620 4.340 -0.000 0.000 0.267 61 Q C -1.363 174.628 176.000 -0.015 0.000 0.991 61 Q CA -0.756 55.045 55.803 -0.003 0.000 0.906 61 Q CB 1.140 29.894 28.738 0.026 0.000 1.422 61 Q HN 0.700 nan 8.270 nan 0.000 0.400 62 R N 3.218 123.697 120.500 -0.036 0.000 2.390 62 R HA 0.259 4.599 4.340 -0.000 0.000 0.291 62 R C 0.667 176.979 176.300 0.021 0.000 1.070 62 R CA 0.062 56.151 56.100 -0.018 0.000 1.014 62 R CB 0.785 31.060 30.300 -0.041 0.000 1.007 62 R HN 0.778 nan 8.270 nan 0.000 0.466 63 L N 1.335 122.595 121.223 0.062 0.000 2.162 63 L HA 0.007 4.347 4.340 -0.000 0.000 0.205 63 L C 0.332 177.332 176.870 0.217 0.000 1.086 63 L CA 1.206 56.120 54.840 0.123 0.000 0.778 63 L CB 0.319 42.425 42.059 0.078 0.000 0.928 63 L HN 0.543 nan 8.230 nan 0.000 0.446 64 T N 0.648 115.308 114.554 0.176 0.000 2.841 64 T HA 0.479 4.829 4.350 -0.000 0.000 0.285 64 T C -0.498 174.288 174.700 0.143 0.000 0.991 64 T CA -0.396 61.837 62.100 0.221 0.000 0.966 64 T CB 1.953 70.951 68.868 0.218 0.000 0.962 64 T HN -0.106 nan 8.240 nan 0.000 0.438 65 L N 2.740 124.047 121.223 0.140 0.000 2.331 65 L HA 0.671 5.011 4.340 -0.000 0.000 0.275 65 L C 0.285 176.919 176.870 -0.393 0.000 1.022 65 L CA -1.041 53.708 54.840 -0.152 0.000 0.812 65 L CB 1.857 43.801 42.059 -0.192 0.000 1.257 65 L HN 0.379 nan 8.230 nan 0.000 0.435 66 R N 1.717 121.828 120.500 -0.649 0.000 2.480 66 R HA 0.574 4.914 4.340 -0.000 0.000 0.306 66 R C -1.720 174.132 176.300 -0.747 0.000 0.958 66 R CA -0.458 55.163 56.100 -0.798 0.000 0.861 66 R CB 1.228 31.121 30.300 -0.679 0.000 1.171 66 R HN 0.334 nan 8.270 nan 0.000 0.445 67 F N 4.496 124.333 119.950 -0.189 0.000 2.469 67 F HA 0.480 5.007 4.527 -0.000 0.000 0.332 67 F C 0.279 176.189 175.800 0.184 0.000 1.103 67 F CA -0.991 57.031 58.000 0.037 0.000 0.979 67 F CB 1.373 40.445 39.000 0.121 0.000 1.137 67 F HN 0.151 nan 8.300 nan 0.000 0.463 68 I N 3.219 124.015 120.570 0.377 0.000 2.498 68 I HA 0.345 4.515 4.170 -0.000 0.000 0.301 68 I C -2.280 173.994 176.117 0.261 0.000 0.984 68 I CA -2.980 58.496 61.300 0.293 0.000 1.204 68 I CB 1.297 39.376 38.000 0.131 0.000 1.362 68 I HN 0.265 nan 8.210 nan 0.000 0.471 69 P HA 0.025 nan 4.420 nan 0.000 0.268 69 P C 0.748 177.935 177.300 -0.189 0.000 1.204 69 P CA 0.155 62.989 63.100 -0.443 0.000 0.768 69 P CB 0.975 32.416 31.700 -0.432 0.000 0.842 70 V N 1.741 121.543 119.914 -0.188 0.000 3.052 70 V HA 0.045 4.165 4.120 -0.000 0.000 0.254 70 V C 0.143 176.170 176.094 -0.110 0.000 1.100 70 V CA 1.440 63.691 62.300 -0.081 0.000 1.112 70 V CB -0.390 31.416 31.823 -0.028 0.000 0.738 70 V HN 0.608 nan 8.190 nan 0.000 0.469 71 D N -0.715 119.577 120.400 -0.179 0.000 2.886 71 D HA 0.444 5.084 4.640 -0.000 0.000 0.216 71 D C -0.783 175.378 176.300 -0.231 0.000 1.256 71 D CA -0.441 53.458 54.000 -0.167 0.000 0.844 71 D CB 1.410 42.129 40.800 -0.134 0.000 1.669 71 D HN 0.182 nan 8.370 nan 0.000 0.513 72 R N 2.206 122.575 120.500 -0.219 0.000 2.686 72 R HA 0.575 4.915 4.340 -0.000 0.000 0.283 72 R C -0.873 175.233 176.300 -0.322 0.000 0.978 72 R CA -0.871 55.046 56.100 -0.304 0.000 0.897 72 R CB 2.223 32.370 30.300 -0.255 0.000 1.192 72 R HN 0.339 nan 8.270 nan 0.000 0.457 73 E N 1.624 121.552 120.200 -0.454 0.000 2.580 73 E HA 0.062 4.412 4.350 -0.000 0.000 0.248 73 E C -1.618 174.711 176.600 -0.451 0.000 1.018 73 E CA -0.482 55.704 56.400 -0.357 0.000 0.775 73 E CB 1.498 31.049 29.700 -0.249 0.000 1.378 73 E HN 0.349 nan 8.360 nan 0.000 0.401 74 D N 2.202 122.376 120.400 -0.377 0.000 2.336 74 D HA 0.126 4.766 4.640 -0.000 0.000 0.249 74 D C -0.495 175.772 176.300 -0.056 0.000 1.213 74 D CA 0.473 54.394 54.000 -0.131 0.000 0.870 74 D CB 0.833 41.734 40.800 0.168 0.000 1.076 74 D HN 0.102 nan 8.370 nan 0.000 0.483 75 T N 1.989 116.511 114.554 -0.052 0.000 2.919 75 T HA 0.545 4.895 4.350 -0.000 0.000 0.282 75 T C 1.448 176.056 174.700 -0.152 0.000 1.020 75 T CA -0.065 61.951 62.100 -0.139 0.000 0.994 75 T CB 1.407 70.134 68.868 -0.235 0.000 1.180 75 T HN 0.334 nan 8.240 nan 0.000 0.566 76 A N 0.504 123.157 122.820 -0.278 0.000 1.896 76 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 76 A C 1.462 178.951 177.584 -0.158 0.000 1.206 76 A CA 2.438 54.328 52.037 -0.245 0.000 0.647 76 A CB -0.948 17.873 19.000 -0.299 0.000 0.828 76 A HN 0.949 nan 8.150 nan 0.000 0.455 77 Y N -2.155 118.159 120.300 0.023 0.000 2.563 77 Y HA 0.517 5.067 4.550 -0.000 0.000 0.250 77 Y C 0.342 176.383 175.900 0.234 0.000 1.126 77 Y CA -0.601 57.545 58.100 0.077 0.000 1.231 77 Y CB -0.603 37.850 38.460 -0.010 0.000 1.288 77 Y HN 0.353 nan 8.280 nan 0.000 0.537 78 S N -0.913 114.918 115.700 0.218 0.000 2.618 78 S HA 0.647 5.117 4.470 -0.000 0.000 0.277 78 S C -1.925 172.884 174.600 0.349 0.000 1.138 78 S CA -0.713 57.737 58.200 0.416 0.000 0.844 78 S CB 2.330 65.794 63.200 0.441 0.000 1.127 78 S HN 0.230 nan 8.310 nan 0.000 0.474 79 Y N 0.658 121.141 120.300 0.305 0.000 2.391 79 Y HA 0.679 5.229 4.550 -0.000 0.000 0.341 79 Y C -0.567 175.451 175.900 0.197 0.000 0.965 79 Y CA -0.523 57.711 58.100 0.224 0.000 1.067 79 Y CB 1.789 40.414 38.460 0.274 0.000 1.199 79 Y HN 0.960 nan 8.280 nan 0.000 0.450 80 K N 4.139 124.426 120.400 -0.189 0.000 2.376 80 K HA 0.888 5.208 4.320 -0.000 0.000 0.257 80 K C -1.821 174.649 176.600 -0.217 0.000 0.939 80 K CA -0.680 55.541 56.287 -0.109 0.000 0.809 80 K CB 1.238 33.642 32.500 -0.160 0.000 1.121 80 K HN 0.696 nan 8.250 nan 0.000 0.425 81 A N 4.286 127.069 122.820 -0.062 0.000 2.374 81 A HA 0.577 4.897 4.320 -0.000 0.000 0.305 81 A C -1.235 176.200 177.584 -0.249 0.000 1.053 81 A CA -0.805 51.107 52.037 -0.208 0.000 0.726 81 A CB 1.262 20.193 19.000 -0.115 0.000 1.229 81 A HN 0.802 nan 8.150 nan 0.000 0.431 82 R N 1.648 121.899 120.500 -0.414 0.000 2.562 82 R HA 0.738 5.078 4.340 -0.000 0.000 0.298 82 R C -1.736 174.310 176.300 -0.424 0.000 0.961 82 R CA -0.335 55.619 56.100 -0.243 0.000 0.881 82 R CB 0.984 31.209 30.300 -0.123 0.000 1.159 82 R HN 0.619 nan 8.270 nan 0.000 0.450 83 F N -0.043 119.973 119.950 0.110 0.000 2.593 83 F HA 0.383 4.910 4.527 -0.000 0.000 0.320 83 F C 0.209 176.065 175.800 0.094 0.000 1.060 83 F CA -0.834 57.238 58.000 0.120 0.000 0.940 83 F CB 2.473 41.568 39.000 0.159 0.000 1.268 83 F HN 0.244 nan 8.300 nan 0.000 0.475 84 T N 3.383 118.086 114.554 0.248 0.000 3.042 84 T HA 0.294 4.644 4.350 -0.000 0.000 0.356 84 T C -0.765 173.907 174.700 -0.047 0.000 1.233 84 T CA -0.321 61.855 62.100 0.126 0.000 1.038 84 T CB 0.084 69.021 68.868 0.115 0.000 1.089 84 T HN 0.351 nan 8.240 nan 0.000 0.531 85 L N 4.415 125.579 121.223 -0.099 0.000 2.385 85 L HA 0.603 4.943 4.340 -0.000 0.000 0.281 85 L C 0.094 176.909 176.870 -0.092 0.000 1.106 85 L CA -0.336 54.257 54.840 -0.413 0.000 0.856 85 L CB -0.646 41.292 42.059 -0.200 0.000 1.186 85 L HN 0.581 nan 8.230 nan 0.000 0.453 86 A N 5.331 128.102 122.820 -0.081 0.000 2.271 86 A HA 0.634 4.954 4.320 -0.000 0.000 0.317 86 A C -0.539 177.229 177.584 0.308 0.000 1.245 86 A CA -0.579 51.566 52.037 0.179 0.000 0.857 86 A CB 0.975 20.105 19.000 0.216 0.000 1.175 86 A HN 0.502 nan 8.150 nan 0.000 0.512 87 V N 4.091 124.188 119.914 0.306 0.000 2.218 87 V HA 0.335 4.455 4.120 -0.000 0.000 0.261 87 V C 1.332 177.536 176.094 0.185 0.000 1.142 87 V CA -0.034 62.479 62.300 0.355 0.000 0.965 87 V CB 0.015 32.084 31.823 0.409 0.000 1.190 87 V HN 1.148 nan 8.190 nan 0.000 0.478 88 G N 3.171 112.014 108.800 0.071 0.000 3.026 88 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.232 88 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.232 88 G C 0.116 175.016 174.900 -0.001 0.000 1.241 88 G CA -0.215 44.882 45.100 -0.004 0.000 0.858 88 G HN 0.613 nan 8.290 nan 0.000 0.592 89 D N 0.356 120.735 120.400 -0.035 0.000 2.352 89 D HA -0.053 4.587 4.640 -0.000 0.000 0.238 89 D C 0.811 177.042 176.300 -0.114 0.000 1.286 89 D CA 0.238 54.208 54.000 -0.050 0.000 0.923 89 D CB 0.233 40.995 40.800 -0.062 0.000 1.146 89 D HN 0.501 nan 8.370 nan 0.000 0.471 90 N N 0.195 118.830 118.700 -0.108 0.000 2.666 90 N HA -0.240 4.500 4.740 -0.000 0.000 0.248 90 N C -0.468 175.018 175.510 -0.040 0.000 1.118 90 N CA 1.116 54.078 53.050 -0.147 0.000 0.722 90 N CB -0.585 37.593 38.487 -0.514 0.000 1.050 90 N HN 0.431 nan 8.380 nan 0.000 0.550 91 R N -0.695 119.832 120.500 0.046 0.000 2.808 91 R HA 0.726 5.066 4.340 -0.000 0.000 0.272 91 R C -0.382 176.048 176.300 0.218 0.000 0.995 91 R CA -0.916 55.282 56.100 0.162 0.000 0.917 91 R CB 2.348 32.726 30.300 0.131 0.000 1.217 91 R HN -0.001 nan 8.270 nan 0.000 0.471 92 V N -0.591 119.495 119.914 0.286 0.000 2.925 92 V HA 0.717 4.837 4.120 -0.000 0.000 0.311 92 V C -1.437 174.773 176.094 0.193 0.000 1.104 92 V CA -1.059 61.361 62.300 0.201 0.000 0.954 92 V CB 2.002 33.896 31.823 0.118 0.000 1.022 92 V HN 0.579 nan 8.190 nan 0.000 0.427 93 L N 2.228 123.470 121.223 0.030 0.000 2.381 93 L HA 0.649 4.989 4.340 -0.000 0.000 0.274 93 L C -0.607 176.160 176.870 -0.173 0.000 0.988 93 L CA 0.063 54.777 54.840 -0.210 0.000 0.824 93 L CB 1.652 43.485 42.059 -0.377 0.000 1.263 93 L HN 0.942 nan 8.230 nan 0.000 0.410 94 D N 5.342 125.646 120.400 -0.160 0.000 2.347 94 D HA 0.107 4.747 4.640 -0.000 0.000 0.235 94 D C 1.133 177.340 176.300 -0.156 0.000 1.149 94 D CA -0.404 53.530 54.000 -0.110 0.000 0.850 94 D CB 1.206 41.978 40.800 -0.047 0.000 1.061 94 D HN 0.609 nan 8.370 nan 0.000 0.487 95 M N 2.716 122.204 119.600 -0.186 0.000 2.260 95 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 95 M C 1.959 178.164 176.300 -0.158 0.000 1.066 95 M CA 0.827 55.993 55.300 -0.223 0.000 1.082 95 M CB -1.118 31.319 32.600 -0.272 0.000 1.388 95 M HN 0.481 nan 8.290 nan 0.000 0.419 96 A N -0.112 122.648 122.820 -0.101 0.000 2.178 96 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 96 A C 2.110 179.716 177.584 0.038 0.000 1.157 96 A CA 1.704 53.717 52.037 -0.040 0.000 0.689 96 A CB -0.686 18.312 19.000 -0.003 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 0.617 175.262 174.600 0.076 0.000 0.955 97 S CA 0.309 58.568 58.200 0.098 0.000 0.933 97 S CB -0.880 62.352 63.200 0.053 0.000 0.788 97 S HN 0.599 nan 8.310 nan 0.000 0.488 98 T N -0.148 114.400 114.554 -0.011 0.000 2.945 98 T HA 0.751 5.101 4.350 -0.000 0.000 0.286 98 T C -0.746 173.940 174.700 -0.024 0.000 1.025 98 T CA -0.760 61.264 62.100 -0.126 0.000 1.039 98 T CB 1.199 69.934 68.868 -0.221 0.000 1.068 98 T HN 0.694 nan 8.240 nan 0.000 0.497 99 Y N -1.606 118.622 120.300 -0.120 0.000 2.662 99 Y HA 0.632 5.182 4.550 -0.000 0.000 0.334 99 Y C -2.066 173.717 175.900 -0.195 0.000 1.185 99 Y CA -2.601 55.406 58.100 -0.155 0.000 1.074 99 Y CB 0.470 39.053 38.460 0.206 0.000 1.330 99 Y HN 0.646 nan 8.280 nan 0.000 0.458 100 F N 1.784 121.920 119.950 0.310 0.000 2.411 100 F HA 0.340 4.867 4.527 0.000 0.000 0.355 100 F C 0.071 176.037 175.800 0.277 0.000 1.117 100 F CA -0.241 57.867 58.000 0.180 0.000 1.139 100 F CB 1.106 40.180 39.000 0.124 0.000 1.120 100 F HN 0.593 nan 8.300 nan 0.000 0.493 101 D N 4.807 125.502 120.400 0.490 0.000 2.317 101 D HA 0.474 5.114 4.640 -0.000 0.000 0.234 101 D C -0.762 175.690 176.300 0.255 0.000 1.112 101 D CA -0.060 54.201 54.000 0.434 0.000 0.840 101 D CB 0.701 41.861 40.800 0.599 0.000 1.078 101 D HN 0.310 nan 8.370 nan 0.000 0.486 102 I N 3.750 124.417 120.570 0.162 0.000 2.465 102 I HA 0.474 4.644 4.170 -0.000 0.000 0.291 102 I C -0.004 176.150 176.117 0.061 0.000 1.014 102 I CA -0.921 60.394 61.300 0.024 0.000 1.093 102 I CB 1.826 39.744 38.000 -0.136 0.000 1.267 102 I HN 0.176 nan 8.210 nan 0.000 0.431 103 R N 3.922 124.351 120.500 -0.118 0.000 2.561 103 R HA 0.831 5.171 4.340 -0.000 0.000 0.297 103 R C -0.326 175.702 176.300 -0.453 0.000 0.969 103 R CA -0.747 55.164 56.100 -0.315 0.000 0.879 103 R CB 2.430 32.536 30.300 -0.323 0.000 1.178 103 R HN 0.881 nan 8.270 nan 0.000 0.445 104 G N 0.706 108.917 108.800 -0.982 0.000 2.634 104 G HA2 0.486 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 -1.704 172.696 174.900 -0.834 0.000 1.299 104 G CA -0.422 44.203 45.100 -0.792 0.000 0.798 104 G HN 0.290 nan 8.290 nan 0.000 0.490 105 V N 0.200 119.944 119.914 -0.283 0.000 2.604 105 V HA 0.754 4.874 4.120 -0.000 0.000 0.305 105 V C -0.861 175.383 176.094 0.250 0.000 1.043 105 V CA -0.683 61.607 62.300 -0.017 0.000 0.888 105 V CB 1.568 33.378 31.823 -0.022 0.000 0.995 105 V HN 0.859 nan 8.190 nan 0.000 0.429 106 L N 3.209 124.612 121.223 0.300 0.000 2.386 106 L HA 0.807 5.147 4.340 -0.000 0.000 0.271 106 L C -1.214 175.696 176.870 0.067 0.000 0.993 106 L CA 0.023 54.971 54.840 0.181 0.000 0.819 106 L CB 2.092 44.230 42.059 0.133 0.000 1.294 106 L HN 0.701 nan 8.230 nan 0.000 0.414 107 D N 2.961 123.360 120.400 -0.002 0.000 2.462 107 D HA 0.337 4.977 4.640 -0.000 0.000 0.245 107 D C 0.450 176.653 176.300 -0.162 0.000 1.122 107 D CA -0.367 53.615 54.000 -0.031 0.000 0.864 107 D CB 1.462 42.312 40.800 0.084 0.000 1.098 107 D HN 0.611 nan 8.370 nan 0.000 0.541 108 R N 1.945 122.270 120.500 -0.292 0.000 2.316 108 R HA 0.301 4.641 4.340 -0.000 0.000 0.202 108 R C 1.327 177.499 176.300 -0.213 0.000 1.029 108 R CA 0.622 56.518 56.100 -0.339 0.000 1.018 108 R CB -0.129 29.776 30.300 -0.660 0.000 0.888 108 R HN 0.657 nan 8.270 nan 0.000 0.471 109 G N 0.401 109.088 108.800 -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 -2.054 172.762 174.900 -0.140 0.000 1.370 109 G CA -0.401 44.619 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 1.503 178.655 177.300 -0.247 0.000 1.191 110 P CA 1.961 64.977 63.100 -0.139 0.000 0.771 110 P CB 0.007 31.657 31.700 -0.084 0.000 0.929 111 T N -4.576 109.788 114.554 -0.318 0.000 3.129 111 T HA 0.062 4.412 4.350 -0.000 0.000 0.251 111 T C 0.308 174.631 174.700 -0.628 0.000 1.117 111 T CA -0.523 61.151 62.100 -0.709 0.000 1.034 111 T CB -0.964 67.526 68.868 -0.630 0.000 0.968 111 T HN -0.135 nan 8.240 nan 0.000 0.526 112 F N 2.805 122.477 119.950 -0.463 0.000 2.472 112 F HA 0.507 5.034 4.527 -0.000 0.000 0.364 112 F C 0.242 175.799 175.800 -0.404 0.000 1.090 112 F CA -1.270 56.505 58.000 -0.375 0.000 1.188 112 F CB 0.517 39.351 39.000 -0.277 0.000 1.105 112 F HN 0.023 nan 8.300 nan 0.000 0.536 113 K N 9.204 128.988 120.400 -1.027 0.000 2.723 113 K HA 0.328 4.648 4.320 -0.000 0.000 0.229 113 K C -2.619 173.231 176.600 -1.250 0.000 1.022 113 K CA -1.700 53.924 56.287 -1.106 0.000 1.045 113 K CB 1.348 33.370 32.500 -0.798 0.000 1.227 113 K HN 0.299 nan 8.250 nan 0.000 0.516 114 P HA 0.000 nan 4.420 nan 0.000 0.269 114 P C -1.424 175.660 177.300 -0.360 0.000 1.601 114 P CA 0.201 62.777 63.100 -0.875 0.000 0.831 114 P CB -0.703 30.795 31.700 -0.337 0.000 1.688 115 Y N -5.025 114.971 120.300 -0.507 0.000 2.717 115 Y HA 0.496 5.046 4.550 -0.000 0.000 0.345 115 Y C -1.179 174.605 175.900 -0.193 0.000 1.187 115 Y CA -1.338 56.636 58.100 -0.210 0.000 1.128 115 Y CB -0.210 38.170 38.460 -0.133 0.000 1.360 115 Y HN -0.320 nan 8.280 nan 0.000 0.467 116 S N 1.230 117.005 115.700 0.125 0.000 2.617 116 S HA 0.806 5.276 4.470 -0.000 0.000 0.283 116 S C 0.419 175.124 174.600 0.175 0.000 1.189 116 S CA 0.116 58.339 58.200 0.039 0.000 1.036 116 S CB 1.006 64.217 63.200 0.019 0.000 1.014 116 S HN 1.871 nan 8.310 nan 0.000 0.522 117 G N 1.118 109.992 108.800 0.123 0.000 2.568 117 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.222 117 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.222 117 G C -0.267 174.734 174.900 0.168 0.000 1.321 117 G CA -0.127 45.073 45.100 0.167 0.000 0.893 117 G HN 0.967 nan 8.290 nan 0.000 0.569 118 T N -1.395 113.188 114.554 0.047 0.000 2.916 118 T HA 0.758 5.108 4.350 -0.000 0.000 0.292 118 T C 1.084 175.632 174.700 -0.253 0.000 1.055 118 T CA 0.754 62.803 62.100 -0.085 0.000 1.009 118 T CB 1.532 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 2.110 124.641 122.820 -0.482 0.000 2.238 119 A HA 0.381 4.701 4.320 -0.000 0.000 0.210 119 A C -0.417 176.648 177.584 -0.865 0.000 1.179 119 A CA 0.231 51.790 52.037 -0.797 0.000 0.827 119 A CB -0.187 18.153 19.000 -1.099 0.000 0.856 119 A HN 0.751 nan 8.150 nan 0.000 0.488 120 Y N 0.071 120.286 120.300 -0.141 0.000 2.326 120 Y HA 0.365 4.915 4.550 0.000 0.000 0.331 120 Y C 0.092 175.910 175.900 -0.136 0.000 0.962 120 Y CA -1.183 56.861 58.100 -0.093 0.000 1.167 120 Y CB 0.820 39.266 38.460 -0.022 0.000 1.148 120 Y HN 0.248 nan 8.280 nan 0.000 0.463 121 N N 1.095 119.840 118.700 0.075 0.000 2.725 121 N HA -0.232 4.508 4.740 -0.000 0.000 0.251 121 N C 0.859 176.407 175.510 0.063 0.000 1.031 121 N CA 0.773 53.868 53.050 0.076 0.000 0.720 121 N CB -0.739 37.816 38.487 0.113 0.000 0.930 121 N HN 0.926 nan 8.380 nan 0.000 0.543 122 A N -0.237 122.593 122.820 0.017 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 0.951 53.063 52.037 0.125 0.000 0.644 122 A CB -0.075 18.956 19.000 0.052 0.000 0.805 122 A HN 0.438 nan 8.150 nan 0.000 0.449 123 L N -0.747 120.578 121.223 0.170 0.000 2.554 123 L HA 0.145 4.485 4.340 -0.000 0.000 0.226 123 L C 1.345 178.303 176.870 0.147 0.000 1.137 123 L CA -0.020 54.904 54.840 0.140 0.000 0.863 123 L CB -0.414 41.702 42.059 0.094 0.000 0.985 123 L HN 0.367 nan 8.230 nan 0.000 0.451 124 A N 0.794 123.735 122.820 0.201 0.000 2.401 124 A HA 0.398 4.718 4.320 -0.000 0.000 0.259 124 A C -2.170 175.495 177.584 0.135 0.000 1.103 124 A CA -1.153 50.989 52.037 0.173 0.000 0.789 124 A CB -0.349 18.771 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 0.289 177.568 177.300 -0.037 0.000 1.182 125 P CA 0.260 63.361 63.100 0.002 0.000 0.761 125 P CB 0.407 32.120 31.700 0.022 0.000 0.795 126 K N 1.989 122.284 120.400 -0.176 0.000 2.589 126 K HA -0.071 4.249 4.320 -0.000 0.000 0.195 126 K C 1.625 178.168 176.600 -0.094 0.000 1.040 126 K CA 1.259 57.389 56.287 -0.262 0.000 0.950 126 K CB -0.340 31.903 32.500 -0.429 0.000 0.781 126 K HN 0.618 nan 8.250 nan 0.000 0.486 127 G N 0.208 108.982 108.800 -0.042 0.000 2.944 127 G HA2 0.197 4.157 3.960 -0.000 0.000 0.223 127 G HA3 0.197 4.157 3.960 -0.000 0.000 0.223 127 G C 0.132 175.045 174.900 0.020 0.000 1.071 127 G CA -0.114 44.980 45.100 -0.011 0.000 0.806 127 G HN 0.236 nan 8.290 nan 0.000 0.538 128 A N 2.088 124.936 122.820 0.047 0.000 2.520 128 A HA 0.570 4.890 4.320 -0.000 0.000 0.245 128 A C -1.942 175.704 177.584 0.105 0.000 1.072 128 A CA -0.659 51.430 52.037 0.087 0.000 0.761 128 A CB 0.369 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 -0.799 176.606 177.300 0.174 0.000 1.278 129 P CA -0.878 62.297 63.100 0.124 0.000 0.834 129 P CB 0.991 32.738 31.700 0.078 0.000 1.150 130 N N 0.599 119.386 118.700 0.145 0.000 2.513 130 N HA 0.246 4.986 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 -1.360 51.770 53.050 0.134 0.000 0.975 130 N CB -0.580 37.965 38.487 0.097 0.000 1.157 130 N HN 0.241 nan 8.380 nan 0.000 0.465 131 P HA 0.001 nan 4.420 nan 0.000 0.260 131 P C -0.285 177.117 177.300 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 1.837 121.298 119.300 0.269 0.000 3.307 132 C HA 0.773 5.233 4.460 -0.000 0.000 0.350 132 C C -0.930 174.274 174.990 0.357 0.000 1.549 132 C CA -0.802 58.383 59.018 0.278 0.000 1.396 132 C CB 1.830 29.736 27.740 0.276 0.000 1.970 132 C HN 0.511 nan 8.230 nan 0.000 0.441 133 E N -0.750 119.663 120.200 0.354 0.000 2.383 133 E HA 0.667 5.017 4.350 -0.000 0.000 0.275 133 E C -1.668 175.187 176.600 0.425 0.000 0.918 133 E CA -0.217 56.356 56.400 0.288 0.000 0.764 133 E CB 2.405 32.171 29.700 0.109 0.000 1.252 133 E HN 0.901 nan 8.360 nan 0.000 0.449 134 W N 0.386 121.751 121.300 0.108 0.000 2.923 134 W HA 0.582 5.242 4.660 0.000 0.000 0.373 134 W C -1.568 175.029 176.519 0.130 0.000 1.205 134 W CA -0.596 56.800 57.345 0.084 0.000 1.180 134 W CB 0.464 29.948 29.460 0.041 0.000 1.477 134 W HN 0.189 nan 8.180 nan 0.000 0.581 166 H N 0.195 118.840 119.070 -0.709 0.000 2.573 166 H HA 0.842 5.398 4.556 -0.000 0.000 0.351 166 H C -0.411 174.440 175.328 -0.795 0.000 1.163 166 H CA -0.739 54.801 56.048 -0.846 0.000 1.205 166 H CB 1.449 30.429 29.762 -1.304 0.000 1.605 166 H HN 0.386 nan 8.280 nan 0.000 0.525 167 V N 2.343 122.064 119.914 -0.321 0.000 2.604 167 V HA 0.295 4.415 4.120 -0.000 0.000 0.305 167 V C -1.226 174.922 176.094 0.090 0.000 1.043 167 V CA -0.794 61.435 62.300 -0.119 0.000 0.888 167 V CB 1.752 33.469 31.823 -0.176 0.000 0.995 167 V HN 0.638 nan 8.190 nan 0.000 0.429 168 F N 3.656 123.672 119.950 0.111 0.000 2.577 168 F HA 0.850 5.377 4.527 -0.000 0.000 0.344 168 F C 0.201 176.052 175.800 0.085 0.000 1.145 168 F CA -0.104 57.992 58.000 0.159 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 4.076 112.624 108.800 -0.420 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 -2.110 172.576 174.900 -0.356 0.000 1.283 169 G CA -0.769 44.139 45.100 -0.320 0.000 0.805 169 G HN 0.633 nan 8.290 nan 0.000 0.548 170 Q N -1.160 118.526 119.800 -0.190 0.000 2.309 170 Q HA 0.609 4.949 4.340 -0.000 0.000 0.273 170 Q C -1.720 174.248 176.000 -0.054 0.000 1.040 170 Q CA -0.937 54.786 55.803 -0.133 0.000 0.834 170 Q CB 2.141 30.814 28.738 -0.108 0.000 1.345 170 Q HN 1.070 nan 8.270 nan 0.000 0.414 171 A N 4.701 127.503 122.820 -0.031 0.000 2.431 171 A HA 0.510 4.830 4.320 -0.000 0.000 0.318 171 A C -2.248 175.358 177.584 0.037 0.000 1.330 171 A CA -1.212 50.841 52.037 0.026 0.000 0.804 171 A CB 0.758 19.781 19.000 0.038 0.000 1.135 171 A HN 0.732 nan 8.150 nan 0.000 0.483 172 P HA 0.002 nan 4.420 nan 0.000 0.238 172 P C 0.019 177.369 177.300 0.084 0.000 1.183 172 P CA 0.456 63.590 63.100 0.058 0.000 0.813 172 P CB 0.115 31.851 31.700 0.059 0.000 0.944 173 Y N 1.546 121.849 120.300 0.004 0.000 2.335 173 Y HA 0.365 4.915 4.550 -0.000 0.000 0.331 173 Y C 0.289 176.202 175.900 0.021 0.000 1.094 173 Y CA -0.396 57.706 58.100 0.004 0.000 1.253 173 Y CB 0.718 39.171 38.460 -0.012 0.000 1.203 173 Y HN -0.211 nan 8.280 nan 0.000 0.508 174 S N 5.107 120.403 115.700 -0.674 0.000 2.420 174 S HA 0.674 5.144 4.470 -0.000 0.000 0.313 174 S C 0.023 174.259 174.600 -0.607 0.000 1.079 174 S CA -0.219 57.722 58.200 -0.431 0.000 1.104 174 S CB -0.313 62.727 63.200 -0.266 0.000 0.969 174 S HN 1.054 nan 8.310 nan 0.000 0.471 175 G N 3.532 112.210 108.800 -0.202 0.000 2.552 175 G HA2 0.512 4.472 3.960 -0.000 0.000 0.318 175 G HA3 0.512 4.472 3.960 -0.000 0.000 0.318 175 G C 0.823 175.698 174.900 -0.043 0.000 1.240 175 G CA -0.811 44.266 45.100 -0.039 0.000 1.002 175 G HN 0.697 nan 8.290 nan 0.000 0.493 176 I N -0.545 119.980 120.570 -0.076 0.000 2.193 176 I HA 0.008 4.178 4.170 -0.000 0.000 0.240 176 I C 0.979 176.850 176.117 -0.411 0.000 1.084 176 I CA 1.067 62.265 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 -0.977 117.510 118.700 -0.355 0.000 2.825 177 N HA 0.482 5.222 4.740 -0.000 0.000 0.253 177 N C -1.570 173.933 175.510 -0.011 0.000 1.426 177 N CA -0.591 52.150 53.050 -0.515 0.000 0.851 177 N CB 1.673 39.972 38.487 -0.314 0.000 1.470 177 N HN -0.058 nan 8.380 nan 0.000 0.517 178 I N 1.257 121.961 120.570 0.223 0.000 2.447 178 I HA 0.422 4.592 4.170 -0.000 0.000 0.287 178 I C -0.157 176.128 176.117 0.280 0.000 1.023 178 I CA -0.513 60.987 61.300 0.333 0.000 1.083 178 I CB 1.817 40.056 38.000 0.398 0.000 1.245 178 I HN 0.712 nan 8.210 nan 0.000 0.434 179 T N 1.107 115.850 114.554 0.314 0.000 2.742 179 T HA 0.360 4.710 4.350 -0.000 0.000 0.282 179 T C 0.625 175.386 174.700 0.102 0.000 1.025 179 T CA -0.727 61.471 62.100 0.164 0.000 1.020 179 T CB 1.745 70.725 68.868 0.187 0.000 1.317 179 T HN 0.383 nan 8.240 nan 0.000 0.538 180 K N 0.381 120.731 120.400 -0.082 0.000 2.442 180 K HA 0.004 4.324 4.320 -0.000 0.000 0.198 180 K C 1.673 178.280 176.600 0.012 0.000 1.044 180 K CA 1.231 57.441 56.287 -0.128 0.000 0.948 180 K CB -0.379 32.015 32.500 -0.178 0.000 0.762 180 K HN 0.563 nan 8.250 nan 0.000 0.472 181 E N -0.285 119.832 120.200 -0.139 0.000 2.435 181 E HA 0.101 4.451 4.350 -0.000 0.000 0.195 181 E C 0.886 177.347 176.600 -0.232 0.000 1.029 181 E CA 0.763 56.889 56.400 -0.457 0.000 0.865 181 E CB 0.232 29.066 29.700 -1.444 0.000 0.833 181 E HN 0.425 nan 8.360 nan 0.000 0.510 182 G N 1.681 110.560 108.800 0.132 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 -0.283 174.884 174.900 0.444 0.000 1.237 182 G CA -0.422 44.824 45.100 0.243 0.000 1.060 182 G HN 0.216 nan 8.290 nan 0.000 0.514 183 I N -1.407 119.420 120.570 0.429 0.000 2.474 183 I HA 0.655 4.825 4.170 -0.000 0.000 0.287 183 I C 0.270 176.555 176.117 0.280 0.000 1.048 183 I CA -0.508 61.005 61.300 0.355 0.000 1.383 183 I CB 1.398 39.596 38.000 0.329 0.000 1.412 183 I HN 0.686 nan 8.210 nan 0.000 0.531 184 Q N 6.169 126.026 119.800 0.096 0.000 2.296 184 Q HA 0.344 4.684 4.340 -0.000 0.000 0.257 184 Q C 0.536 176.515 176.000 -0.036 0.000 0.942 184 Q CA -0.553 55.139 55.803 -0.185 0.000 0.939 184 Q CB 1.437 29.970 28.738 -0.341 0.000 1.198 184 Q HN 0.933 nan 8.270 nan 0.000 0.429 185 I N 0.558 121.104 120.570 -0.041 0.000 3.793 185 I HA 0.474 4.644 4.170 -0.000 0.000 0.315 185 I C 0.630 176.750 176.117 0.005 0.000 1.275 185 I CA 0.207 61.539 61.300 0.053 0.000 1.214 185 I CB 0.244 38.240 38.000 -0.007 0.000 1.018 185 I HN 0.651 nan 8.210 nan 0.000 0.439 186 G N 1.373 110.128 108.800 -0.075 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 0.046 45.103 45.100 -0.071 0.000 0.927 186 G HN 0.723 nan 8.290 nan 0.000 0.477 187 V N -3.423 116.448 119.914 -0.071 0.000 2.766 187 V HA 0.592 4.712 4.120 -0.000 0.000 0.286 187 V C -0.649 175.426 176.094 -0.032 0.000 1.237 187 V CA -0.815 61.446 62.300 -0.065 0.000 0.934 187 V CB 1.287 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 3.824 124.013 120.200 -0.018 0.000 1.833 188 E HA 0.397 4.747 4.350 -0.000 0.000 0.258 188 E C 1.329 177.927 176.600 -0.003 0.000 1.257 188 E CA 0.996 57.393 56.400 -0.004 0.000 1.003 188 E CB 0.378 30.081 29.700 0.006 0.000 1.068 188 E HN 1.472 nan 8.360 nan 0.000 0.422 189 G N 3.838 112.635 108.800 -0.006 0.000 3.377 189 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.304 189 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.304 189 G C 0.879 175.775 174.900 -0.007 0.000 1.366 189 G CA 0.416 45.514 45.100 -0.004 0.000 1.020 189 G HN 0.548 nan 8.290 nan 0.000 0.621 190 Q N 0.329 120.127 119.800 -0.003 0.000 2.378 190 Q HA 0.244 4.584 4.340 -0.000 0.000 0.229 190 Q C 0.713 176.711 176.000 -0.003 0.000 0.882 190 Q CA 0.800 56.601 55.803 -0.003 0.000 0.936 190 Q CB 0.786 29.524 28.738 0.001 0.000 1.092 190 Q HN 0.545 nan 8.270 nan 0.000 0.535 191 T N 2.552 117.106 114.554 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 -1.391 60.713 62.100 0.007 0.000 1.043 191 T CB 1.242 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 -0.853 176.337 177.300 -0.183 0.000 1.348 192 P CA -0.864 62.152 63.100 -0.140 0.000 0.826 192 P CB 0.720 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 -0.317 176.138 176.600 -0.241 0.000 1.039 193 K CA -0.288 55.929 56.287 -0.117 0.000 0.928 193 K CB 0.178 32.645 32.500 -0.055 0.000 1.039 193 K HN 0.425 nan 8.250 nan 0.000 0.470 194 Y N -0.087 120.218 120.300 0.008 0.000 2.487 194 Y HA 0.455 5.005 4.550 -0.000 0.000 0.337 194 Y C 0.654 176.531 175.900 -0.039 0.000 1.076 194 Y CA -1.104 57.003 58.100 0.011 0.000 1.115 194 Y CB 1.548 40.030 38.460 0.037 0.000 1.235 194 Y HN 0.620 nan 8.280 nan 0.000 0.468 195 A N 1.498 124.376 122.820 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 51.664 52.037 -0.141 0.000 0.766 195 A CB -0.063 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 2.053 122.254 120.400 -0.332 0.000 2.352 196 D HA 0.097 4.737 4.640 -0.000 0.000 0.245 196 D C 1.020 177.136 176.300 -0.307 0.000 1.224 196 D CA -0.006 53.842 54.000 -0.254 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 -0.036 0.000 1.050 197 K CA 2.088 58.384 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 -1.074 113.490 114.554 0.018 0.000 2.881 198 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 198 T C 1.489 176.285 174.700 0.160 0.000 1.068 198 T CA 1.365 63.526 62.100 0.102 0.000 1.131 198 T CB -0.310 68.659 68.868 0.168 0.000 0.871 198 T HN 0.467 nan 8.240 nan 0.000 0.479 199 F N -0.903 118.987 119.950 -0.099 0.000 3.031 199 F HA 0.528 5.055 4.527 0.000 0.000 0.365 199 F C -0.115 175.575 175.800 -0.184 0.000 1.128 199 F CA -1.201 56.730 58.000 -0.115 0.000 1.068 199 F CB 0.342 39.294 39.000 -0.081 0.000 1.280 199 F HN 0.016 nan 8.300 nan 0.000 0.529 200 Q N 3.850 123.159 119.800 -0.820 0.000 2.342 200 Q HA 0.470 4.810 4.340 -0.000 0.000 0.267 200 Q C -2.666 172.805 176.000 -0.881 0.000 1.038 200 Q CA -2.347 52.965 55.803 -0.819 0.000 0.832 200 Q CB 2.520 30.680 28.738 -0.964 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 -0.970 176.139 177.300 -0.318 0.000 1.256 201 P CA -0.231 62.535 63.100 -0.558 0.000 0.795 201 P CB 0.856 32.276 31.700 -0.466 0.000 1.038 202 E N 1.352 121.425 120.200 -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 0.588 30.297 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 0.859 178.184 177.300 0.041 0.000 1.148 203 P CA 1.503 64.618 63.100 0.025 0.000 0.834 203 P CB 0.165 31.881 31.700 0.028 0.000 0.783 204 Q N -1.007 118.819 119.800 0.043 0.000 2.224 204 Q HA -0.017 4.323 4.340 -0.000 0.000 0.203 204 Q C 0.723 176.758 176.000 0.060 0.000 0.970 204 Q CA 0.677 56.510 55.803 0.051 0.000 0.865 204 Q CB -0.532 28.236 28.738 0.050 0.000 0.922 204 Q HN 0.286 nan 8.270 nan 0.000 0.445 205 I N 0.822 121.435 120.570 0.071 0.000 2.428 205 I HA 0.535 4.705 4.170 -0.000 0.000 0.296 205 I C 0.362 176.554 176.117 0.125 0.000 0.985 205 I CA -0.561 60.801 61.300 0.104 0.000 1.260 205 I CB 1.612 39.697 38.000 0.142 0.000 1.389 205 I HN 0.125 nan 8.210 nan 0.000 0.484 206 G N 3.929 112.785 108.800 0.094 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 0.015 120.197 120.200 -0.030 0.000 2.415 207 E HA 0.171 4.521 4.350 -0.000 0.000 0.262 207 E C 0.667 177.232 176.600 -0.058 0.000 1.038 207 E CA 0.136 56.495 56.400 -0.069 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 1.732 117.386 115.700 -0.077 0.000 2.406 208 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 208 S C 0.357 174.901 174.600 -0.094 0.000 1.030 208 S CA 0.503 58.667 58.200 -0.060 0.000 0.958 208 S CB 0.151 63.322 63.200 -0.048 0.000 0.811 208 S HN 0.418 nan 8.310 nan 0.000 0.489 209 Q N 1.383 121.049 119.800 -0.224 0.000 2.312 209 Q HA 0.173 4.513 4.340 -0.000 0.000 0.236 209 Q C 0.962 176.741 176.000 -0.369 0.000 0.965 209 Q CA -0.485 55.073 55.803 -0.409 0.000 0.894 209 Q CB 0.027 28.224 28.738 -0.902 0.000 1.225 209 Q HN 0.566 nan 8.270 nan 0.000 0.478 210 W N 0.349 121.458 121.300 -0.319 0.000 2.576 210 W HA 0.063 4.723 4.660 0.000 0.000 0.270 210 W C -0.281 176.173 176.519 -0.108 0.000 1.255 210 W CA -0.325 56.930 57.345 -0.150 0.000 1.314 210 W CB -0.563 28.875 29.460 -0.036 0.000 1.101 210 W HN 0.635 nan 8.180 nan 0.000 0.595 211 Y N 1.552 121.360 120.300 -0.820 0.000 2.304 211 Y HA 0.508 5.058 4.550 -0.000 0.000 0.327 211 Y C 0.173 175.891 175.900 -0.302 0.000 1.209 211 Y CA -2.179 55.522 58.100 -0.666 0.000 1.299 211 Y CB 0.030 37.814 38.460 -1.128 0.000 1.249 211 Y HN -0.084 nan 8.280 nan 0.000 0.519 212 E N 1.486 121.720 120.200 0.057 0.000 2.351 212 E HA 0.026 4.376 4.350 -0.000 0.000 0.266 212 E C -0.004 176.649 176.600 0.088 0.000 1.031 212 E CA 0.166 56.590 56.400 0.040 0.000 0.911 212 E CB 0.800 30.521 29.700 0.035 0.000 0.986 212 E HN 0.836 nan 8.360 nan 0.000 0.446 213 T N 3.187 117.774 114.554 0.054 0.000 3.069 213 T HA -0.009 4.341 4.350 -0.000 0.000 0.252 213 T C -0.620 174.089 174.700 0.014 0.000 1.053 213 T CA -0.026 62.113 62.100 0.065 0.000 0.964 213 T CB 0.015 68.917 68.868 0.058 0.000 1.005 213 T HN 0.607 nan 8.240 nan 0.000 0.532 214 E N 1.151 121.352 120.200 0.002 0.000 5.234 214 E HA -0.123 4.227 4.350 -0.000 0.000 0.170 214 E C -0.879 175.715 176.600 -0.011 0.000 1.556 214 E CA -0.052 56.343 56.400 -0.007 0.000 1.185 214 E CB -1.088 28.607 29.700 -0.008 0.000 1.023 214 E HN 0.519 nan 8.360 nan 0.000 0.337 215 I N 3.029 123.588 120.570 -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 61.021 61.300 -0.017 0.000 1.375 215 I CB 0.597 38.581 38.000 -0.026 0.000 1.407 215 I HN 0.416 nan 8.210 nan 0.000 0.516 216 N N 3.501 122.190 118.700 -0.019 0.000 2.402 216 N HA 0.009 4.749 4.740 -0.000 0.000 0.174 216 N C -0.132 175.161 175.510 -0.362 0.000 1.027 216 N CA 0.765 53.721 53.050 -0.157 0.000 0.891 216 N CB 0.249 38.654 38.487 -0.137 0.000 1.016 216 N HN 0.566 nan 8.380 nan 0.000 0.439 217 H N -0.085 118.998 119.070 0.021 0.000 2.736 217 H HA 0.585 5.141 4.556 -0.000 0.000 0.271 217 H C -0.577 174.782 175.328 0.052 0.000 1.184 217 H CA -0.523 55.556 56.048 0.052 0.000 1.378 217 H CB 1.060 30.855 29.762 0.055 0.000 1.428 217 H HN 0.076 nan 8.280 nan 0.000 0.500 218 A N 2.129 125.024 122.820 0.126 0.000 2.311 218 A HA 0.937 5.257 4.320 -0.000 0.000 0.334 218 A C -0.422 177.270 177.584 0.180 0.000 1.139 218 A CA -0.223 51.885 52.037 0.119 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 -0.251 122.699 122.820 0.216 0.000 2.527 219 A HA 0.992 5.312 4.320 -0.000 0.000 0.293 219 A C -0.090 177.605 177.584 0.184 0.000 1.117 219 A CA -0.117 52.066 52.037 0.243 0.000 0.723 219 A CB 1.633 20.817 19.000 0.306 0.000 1.313 219 A HN 2.430 nan 8.150 nan 0.000 0.411 220 G N -0.248 108.654 108.800 0.170 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 0.120 0.000 1.397 220 G CA -0.889 44.273 45.100 0.102 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 0.069 0.000 2.711 221 R HA 0.807 5.147 4.340 -0.000 0.000 0.284 221 R C -1.157 175.184 176.300 0.067 0.000 0.968 221 R CA -0.848 55.300 56.100 0.081 0.000 0.924 221 R CB 2.515 32.837 30.300 0.036 0.000 1.162 221 R HN 0.508 nan 8.270 nan 0.000 0.465 222 V N 3.207 123.168 119.914 0.079 0.000 3.159 222 V HA 0.505 4.625 4.120 -0.000 0.000 0.308 222 V C -1.443 174.696 176.094 0.074 0.000 1.190 222 V CA -0.979 61.364 62.300 0.070 0.000 1.037 222 V CB 2.550 34.413 31.823 0.068 0.000 1.060 222 V HN 0.566 nan 8.190 nan 0.000 0.437 223 L N 4.119 125.391 121.223 0.082 0.000 2.282 223 L HA 0.536 4.876 4.340 -0.000 0.000 0.288 223 L C 0.297 177.219 176.870 0.087 0.000 1.033 223 L CA -0.592 54.294 54.840 0.076 0.000 0.807 223 L CB 1.397 43.502 42.059 0.076 0.000 1.209 223 L HN 0.603 nan 8.230 nan 0.000 0.423 224 K N 1.971 122.412 120.400 0.069 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 56.221 56.287 0.068 0.000 0.927 224 K CB 0.670 33.199 32.500 0.047 0.000 0.956 224 K HN 0.545 nan 8.250 nan 0.000 0.495 225 K N -0.242 120.212 120.400 0.091 0.000 2.442 225 K HA -0.110 4.210 4.320 -0.000 0.000 0.198 225 K C 1.137 177.791 176.600 0.090 0.000 1.044 225 K CA 1.673 58.030 56.287 0.115 0.000 0.948 225 K CB -0.222 32.347 32.500 0.114 0.000 0.762 225 K HN 0.618 nan 8.250 nan 0.000 0.472 226 T N -1.877 112.716 114.554 0.064 0.000 3.085 226 T HA -0.009 4.341 4.350 -0.000 0.000 0.263 226 T C 0.664 175.391 174.700 0.044 0.000 1.127 226 T CA 0.191 62.320 62.100 0.049 0.000 1.103 226 T CB -0.122 68.767 68.868 0.036 0.000 0.921 226 T HN 0.043 nan 8.240 nan 0.000 0.510 227 T N 5.157 119.742 114.554 0.050 0.000 2.744 227 T HA 0.392 4.742 4.350 -0.000 0.000 0.291 227 T C -2.540 172.189 174.700 0.049 0.000 0.957 227 T CA -1.371 60.753 62.100 0.041 0.000 1.002 227 T CB 1.361 70.252 68.868 0.037 0.000 0.919 227 T HN 0.193 nan 8.240 nan 0.000 0.468 228 P HA 0.053 nan 4.420 nan 0.000 0.266 228 P C -0.313 177.008 177.300 0.036 0.000 1.195 228 P CA -0.266 62.855 63.100 0.034 0.000 0.768 228 P CB 0.614 32.327 31.700 0.022 0.000 0.838 229 M N 3.147 122.766 119.600 0.032 0.000 2.217 229 M HA 0.133 4.613 4.480 -0.000 0.000 0.354 229 M C 0.210 176.519 176.300 0.015 0.000 1.225 229 M CA 0.630 55.947 55.300 0.027 0.000 1.137 229 M CB 0.275 32.875 32.600 -0.001 0.000 1.576 229 M HN 0.194 nan 8.290 nan 0.000 0.461 230 K N 4.502 124.920 120.400 0.030 0.000 2.523 230 K HA 0.527 4.847 4.320 -0.000 0.000 0.257 230 K C -2.750 173.882 176.600 0.054 0.000 0.932 230 K CA -1.800 54.507 56.287 0.034 0.000 0.812 230 K CB 1.697 34.220 32.500 0.039 0.000 1.326 230 K HN 0.298 nan 8.250 nan 0.000 0.433 231 P HA 0.028 nan 4.420 nan 0.000 0.268 231 P C 0.921 178.294 177.300 0.121 0.000 1.208 231 P CA -0.157 62.998 63.100 0.091 0.000 0.777 231 P CB 0.599 32.360 31.700 0.102 0.000 0.875 232 C N 3.339 122.721 119.300 0.136 0.000 2.413 232 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 232 C C 1.381 176.476 174.990 0.175 0.000 1.236 232 C CA 0.443 59.545 59.018 0.141 0.000 1.735 232 C CB -1.580 26.245 27.740 0.141 0.000 2.031 232 C HN 0.524 nan 8.230 nan 0.000 0.474 233 Y N 1.212 121.555 120.300 0.073 0.000 2.745 233 Y HA 0.366 4.916 4.550 -0.000 0.000 0.335 233 Y C 1.221 177.181 175.900 0.100 0.000 1.212 233 Y CA 1.301 59.449 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 0.660 nan 8.280 nan 0.000 0.531 234 G N 3.018 111.691 108.800 -0.211 0.000 2.195 234 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.246 234 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.246 234 G C 0.236 175.196 174.900 0.100 0.000 0.984 234 G CA 0.142 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 0.226 115.976 115.700 0.084 0.000 2.531 235 S HA 0.558 5.028 4.470 -0.000 0.000 0.279 235 S C -0.479 174.108 174.600 -0.022 0.000 1.305 235 S CA 0.067 58.292 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 0.751 nan 8.310 nan 0.000 0.493 236 Y N 1.417 121.548 120.300 -0.281 0.000 2.534 236 Y HA 0.626 5.176 4.550 0.000 0.000 0.345 236 Y C -1.096 174.657 175.900 -0.245 0.000 1.031 236 Y CA -0.994 56.828 58.100 -0.464 0.000 1.022 236 Y CB 1.403 39.262 38.460 -1.002 0.000 1.292 236 Y HN 0.668 nan 8.280 nan 0.000 0.459 237 A N 5.702 127.818 122.820 -1.173 0.000 2.485 237 A HA 0.479 4.799 4.320 -0.000 0.000 0.285 237 A C -1.457 175.552 177.584 -0.958 0.000 1.045 237 A CA -1.000 50.533 52.037 -0.839 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 3.309 123.247 120.400 -0.770 0.000 2.485 238 K HA 0.357 4.677 4.320 -0.000 0.000 0.277 238 K C -2.360 174.126 176.600 -0.191 0.000 0.990 238 K CA -0.637 55.441 56.287 -0.349 0.000 0.994 238 K CB 0.322 32.771 32.500 -0.084 0.000 0.906 238 K HN 0.355 nan 8.250 nan 0.000 0.488 239 P HA 0.014 nan 4.420 nan 0.000 0.278 239 P C -0.114 177.165 177.300 -0.035 0.000 1.238 239 P CA -0.414 62.653 63.100 -0.056 0.000 0.794 239 P CB 1.315 33.000 31.700 -0.025 0.000 0.955 240 T N -1.753 112.784 114.554 -0.028 0.000 3.092 240 T HA 0.196 4.546 4.350 -0.000 0.000 0.258 240 T C 0.227 174.919 174.700 -0.013 0.000 1.031 240 T CA -0.311 61.779 62.100 -0.016 0.000 0.925 240 T CB -0.752 68.109 68.868 -0.011 0.000 1.036 240 T HN 0.595 nan 8.240 nan 0.000 0.544 241 N N -0.693 117.993 118.700 -0.024 0.000 2.484 241 N HA 0.234 4.974 4.740 -0.000 0.000 0.269 241 N C 0.170 175.633 175.510 -0.078 0.000 1.237 241 N CA -0.993 52.033 53.050 -0.041 0.000 0.838 241 N CB 1.271 39.740 38.487 -0.029 0.000 1.593 241 N HN -0.007 nan 8.380 nan 0.000 0.485 242 E N -0.166 119.977 120.200 -0.096 0.000 2.396 242 E HA -0.171 4.179 4.350 -0.000 0.000 0.200 242 E C -0.054 176.434 176.600 -0.187 0.000 1.023 242 E CA 0.957 57.289 56.400 -0.113 0.000 0.857 242 E CB -0.098 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 -0.603 117.919 118.700 -0.296 0.000 2.322 243 N HA 0.039 4.779 4.740 -0.000 0.000 0.194 243 N C 0.852 176.207 175.510 -0.258 0.000 1.126 243 N CA 0.832 53.582 53.050 -0.499 0.000 0.845 243 N CB 1.255 38.939 38.487 -1.338 0.000 0.976 243 N HN 0.321 nan 8.380 nan 0.000 0.475 244 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 0.502 175.405 174.900 0.006 0.000 0.982 244 G CA -0.079 45.001 45.100 -0.034 0.000 0.641 244 G HN 0.557 nan 8.290 nan 0.000 0.527 245 G N -0.073 108.746 108.800 0.032 0.000 2.544 245 G HA2 0.528 4.488 3.960 -0.000 0.000 0.242 245 G HA3 0.528 4.488 3.960 -0.000 0.000 0.242 245 G C 0.602 175.505 174.900 0.005 0.000 1.247 245 G CA 0.518 45.652 45.100 0.056 0.000 0.840 245 G HN 1.155 nan 8.290 nan 0.000 0.578 246 Q N 1.393 121.188 119.800 -0.009 0.000 2.233 246 Q HA 0.312 4.652 4.340 -0.000 0.000 0.340 246 Q C 1.200 177.184 176.000 -0.027 0.000 0.899 246 Q CA -0.061 55.716 55.803 -0.043 0.000 1.139 246 Q CB 0.701 29.386 28.738 -0.088 0.000 1.273 246 Q HN 0.560 nan 8.270 nan 0.000 0.431 247 G N 1.054 109.853 108.800 -0.002 0.000 2.418 247 G HA2 0.007 3.967 3.960 -0.000 0.000 0.217 247 G HA3 0.007 3.967 3.960 -0.000 0.000 0.217 247 G C 0.939 175.840 174.900 0.002 0.000 1.158 247 G CA 1.522 46.626 45.100 0.008 0.000 0.771 247 G HN 0.513 nan 8.290 nan 0.000 0.545 248 I N -3.643 116.925 120.570 -0.004 0.000 1.251 248 I HA -0.008 4.162 4.170 -0.000 0.000 0.295 248 I C -0.618 175.497 176.117 -0.002 0.000 0.524 248 I CA -0.302 60.996 61.300 -0.004 0.000 3.160 248 I CB -0.118 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 1.126 122.350 121.223 0.003 0.000 3.065 249 L HA 0.006 4.346 4.340 -0.000 0.000 0.429 249 L C -0.889 175.983 176.870 0.004 0.000 0.956 249 L CA -0.402 54.440 54.840 0.004 0.000 1.409 249 L CB -0.923 41.136 42.059 0.001 0.000 1.708 249 L HN 0.170 nan 8.230 nan 0.000 0.428 250 V N 0.925 120.842 119.914 0.005 0.000 2.668 250 V HA 0.812 4.932 4.120 -0.000 0.000 0.304 250 V C -0.046 176.052 176.094 0.006 0.000 1.071 250 V CA 0.089 62.392 62.300 0.005 0.000 0.894 250 V CB 1.810 33.636 31.823 0.005 0.000 1.008 250 V HN 0.394 nan 8.190 nan 0.000 0.425 251 K N 3.579 123.983 120.400 0.005 0.000 2.972 251 K HA -0.195 4.125 4.320 -0.000 0.000 0.853 251 K C 0.687 177.290 176.600 0.006 0.000 2.102 251 K CA 0.697 56.988 56.287 0.005 0.000 1.382 251 K CB -0.722 31.781 32.500 0.005 0.000 2.605 251 K HN 0.939 nan 8.250 nan 0.000 0.218 252 Q N 0.937 120.740 119.800 0.005 0.000 2.331 252 Q HA 0.067 4.407 4.340 -0.000 0.000 0.203 252 Q C 0.233 176.235 176.000 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 0.189 4.529 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 -0.717 55.087 55.803 0.003 0.000 0.768 253 Q CB 1.008 29.747 28.738 0.002 0.000 1.472 253 Q HN 0.052 nan 8.270 nan 0.000 0.416 254 N N -0.324 118.377 118.700 0.002 0.000 1.366 254 N HA -0.262 4.478 4.740 -0.000 0.000 0.141 254 N C 0.237 175.749 175.510 0.003 0.000 0.460 254 N CA 2.048 55.099 53.050 0.002 0.000 1.090 254 N CB -1.521 36.967 38.487 0.002 0.000 1.396 254 N HN 0.762 nan 8.380 nan 0.000 0.443 255 G N 1.515 110.317 108.800 0.003 0.000 2.415 255 G HA2 0.492 4.452 3.960 -0.000 0.000 0.269 255 G HA3 0.492 4.452 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 0.141 45.243 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 -0.570 176.033 176.600 0.006 0.000 0.951 256 K CA -0.818 55.473 56.287 0.006 0.000 0.854 256 K CB 0.874 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 0.897 122.124 121.223 0.007 0.000 2.240 257 L HA 0.037 4.377 4.340 -0.000 0.000 0.166 257 L C 1.483 178.359 176.870 0.010 0.000 0.893 257 L CA 0.126 54.972 54.840 0.010 0.000 1.058 257 L CB -0.265 41.801 42.059 0.012 0.000 1.371 257 L HN 0.662 nan 8.230 nan 0.000 0.480 258 E N -0.583 119.626 120.200 0.014 0.000 2.683 258 E HA -0.025 4.325 4.350 -0.000 0.000 0.266 258 E C 0.690 177.299 176.600 0.016 0.000 1.434 258 E CA 0.281 56.692 56.400 0.018 0.000 1.137 258 E CB 0.363 30.076 29.700 0.023 0.000 0.992 258 E HN 0.572 nan 8.360 nan 0.000 0.607 259 S N -0.716 114.996 115.700 0.019 0.000 2.836 259 S HA 0.182 4.652 4.470 -0.000 0.000 0.164 259 S C 0.424 175.034 174.600 0.017 0.000 0.714 259 S CA -0.458 57.752 58.200 0.016 0.000 0.906 259 S CB 0.404 63.615 63.200 0.017 0.000 0.702 259 S HN 0.471 nan 8.310 nan 0.000 0.571 260 Q N -0.963 118.850 119.800 0.022 0.000 2.397 260 Q HA 0.569 4.909 4.340 -0.000 0.000 0.384 260 Q C -1.550 174.468 176.000 0.030 0.000 0.574 260 Q CA -0.360 55.455 55.803 0.021 0.000 1.025 260 Q CB 0.905 29.652 28.738 0.014 0.000 0.985 260 Q HN 0.645 nan 8.270 nan 0.000 0.456 261 V N 0.180 120.109 119.914 0.024 0.000 2.115 261 V HA -0.023 4.097 4.120 -0.000 0.000 0.344 261 V C -1.842 174.253 176.094 0.000 0.000 1.564 261 V CA -0.618 61.702 62.300 0.032 0.000 0.889 261 V CB 0.654 32.521 31.823 0.073 0.000 1.226 261 V HN 0.743 nan 8.190 nan 0.000 0.228 262 E N 1.911 122.094 120.200 -0.027 0.000 2.311 262 E HA 0.591 4.941 4.350 -0.000 0.000 0.281 262 E C -1.133 175.349 176.600 -0.197 0.000 0.905 262 E CA -0.780 55.567 56.400 -0.089 0.000 0.778 262 E CB 2.083 31.748 29.700 -0.059 0.000 1.240 262 E HN 0.645 nan 8.360 nan 0.000 0.410 263 M N 2.335 121.730 119.600 -0.343 0.000 2.211 263 M HA 0.236 4.716 4.480 -0.000 0.000 0.356 263 M C -0.315 175.647 176.300 -0.564 0.000 1.216 263 M CA 0.202 55.120 55.300 -0.638 0.000 1.134 263 M CB 0.749 32.802 32.600 -0.911 0.000 1.564 263 M HN 0.276 nan 8.290 nan 0.000 0.463 264 Q N 3.205 122.653 119.800 -0.587 0.000 2.401 264 Q HA 0.426 4.766 4.340 -0.000 0.000 0.260 264 Q C -1.454 173.960 176.000 -0.976 0.000 1.034 264 Q CA -0.346 55.095 55.803 -0.603 0.000 0.737 264 Q CB 1.191 29.765 28.738 -0.273 0.000 1.227 264 Q HN 0.495 nan 8.270 nan 0.000 0.488 265 F N 1.944 121.486 119.950 -0.680 0.000 2.418 265 F HA 0.409 4.936 4.527 0.000 0.000 0.341 265 F C 0.077 175.351 175.800 -0.877 0.000 1.120 265 F CA 0.055 57.736 58.000 -0.531 0.000 1.232 265 F CB 0.451 39.284 39.000 -0.279 0.000 1.175 265 F HN 0.344 nan 8.300 nan 0.000 0.569 266 F N 0.021 120.049 119.950 0.131 0.000 2.613 266 F HA 0.532 5.059 4.527 -0.000 0.000 0.310 266 F C 0.043 175.872 175.800 0.048 0.000 1.085 266 F CA -0.913 57.121 58.000 0.057 0.000 0.945 266 F CB 1.902 40.909 39.000 0.012 0.000 1.298 266 F HN 0.470 nan 8.300 nan 0.000 0.455 267 S N -0.558 115.264 115.700 0.203 0.000 2.753 267 S HA 0.608 5.078 4.470 -0.000 0.000 0.302 267 S C 0.005 174.656 174.600 0.084 0.000 1.104 267 S CA -0.342 57.922 58.200 0.107 0.000 0.968 267 S CB 1.548 64.783 63.200 0.058 0.000 1.278 267 S HN 0.547 nan 8.310 nan 0.000 0.549 268 T N 0.754 115.335 114.554 0.045 0.000 3.132 268 T HA 0.335 4.685 4.350 -0.000 0.000 0.274 268 T C -0.382 174.331 174.700 0.022 0.000 1.011 268 T CA 0.339 62.456 62.100 0.028 0.000 0.899 268 T CB -0.280 68.596 68.868 0.012 0.000 1.089 268 T HN 0.869 nan 8.240 nan 0.000 0.543 269 T N 2.614 117.183 114.554 0.025 0.000 4.385 269 T HA -0.144 4.206 4.350 -0.000 0.000 0.330 269 T C -0.146 174.559 174.700 0.010 0.000 0.771 269 T CA 0.458 62.568 62.100 0.017 0.000 1.973 269 T CB -1.576 67.302 68.868 0.016 0.000 1.908 269 T HN 0.556 nan 8.240 nan 0.000 0.933 270 E N 1.483 121.688 120.200 0.007 0.000 2.129 270 E HA 0.511 4.861 4.350 -0.000 0.000 0.283 270 E C 0.597 177.197 176.600 0.000 0.000 1.080 270 E CA 0.263 56.664 56.400 0.003 0.000 0.867 270 E CB 0.840 30.540 29.700 0.000 0.000 1.056 270 E HN 0.833 nan 8.360 nan 0.000 0.404 271 A N 2.764 125.584 122.820 0.000 0.000 2.434 271 A HA -0.160 4.160 4.320 -0.000 0.000 0.686 271 A C 0.970 178.553 177.584 -0.002 0.000 0.138 271 A CA 0.591 52.627 52.037 -0.002 0.000 0.027 271 A CB -1.589 17.409 19.000 -0.003 0.000 3.972 271 A HN 0.862 nan 8.150 nan 0.000 0.548 272 T N 1.130 115.682 114.554 -0.002 0.000 2.814 272 T HA 0.635 4.985 4.350 -0.000 0.000 0.254 272 T C 1.479 176.175 174.700 -0.006 0.000 1.037 272 T CA 2.090 64.188 62.100 -0.003 0.000 1.143 272 T CB -0.215 68.651 68.868 -0.002 0.000 0.866 272 T HN 2.610 nan 8.240 nan 0.000 0.431 273 A N 1.371 124.188 122.820 -0.006 0.000 2.454 273 A HA 0.546 4.866 4.320 -0.000 0.000 0.260 273 A C 0.865 178.443 177.584 -0.010 0.000 1.106 273 A CA 0.026 52.058 52.037 -0.008 0.000 0.780 273 A CB -0.181 18.815 19.000 -0.007 0.000 1.044 273 A HN 0.674 nan 8.150 nan 0.000 0.498 274 G N 2.660 111.453 108.800 -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 0.253 175.143 174.900 -0.015 0.000 0.973 274 G CA -0.541 44.550 45.100 -0.015 0.000 1.257 274 G HN 0.781 nan 8.290 nan 0.000 0.456 275 N N 2.386 121.078 118.700 -0.013 0.000 2.518 275 N HA 0.057 4.797 4.740 -0.000 0.000 0.230 275 N C 1.693 177.195 175.510 -0.013 0.000 1.022 275 N CA 0.692 53.734 53.050 -0.013 0.000 1.172 275 N CB 0.293 38.774 38.487 -0.010 0.000 1.498 275 N HN 0.396 nan 8.380 nan 0.000 0.602 276 G N 1.166 109.959 108.800 -0.011 0.000 3.228 276 G HA2 0.054 4.014 3.960 -0.000 0.000 0.245 276 G HA3 0.054 4.014 3.960 -0.000 0.000 0.245 276 G C -0.287 174.607 174.900 -0.011 0.000 1.051 276 G CA -0.163 44.930 45.100 -0.011 0.000 0.809 276 G HN 0.389 nan 8.290 nan 0.000 0.531 277 D N 0.874 121.267 120.400 -0.011 0.000 2.368 277 D HA 0.019 4.659 4.640 -0.000 0.000 0.240 277 D C -0.376 175.916 176.300 -0.012 0.000 1.169 277 D CA -0.460 53.534 54.000 -0.009 0.000 0.906 277 D CB 0.584 41.379 40.800 -0.009 0.000 1.187 277 D HN -0.014 nan 8.370 nan 0.000 0.435 278 N N 1.854 120.549 118.700 -0.008 0.000 2.558 278 N HA 0.081 4.821 4.740 -0.000 0.000 0.233 278 N C 0.662 176.165 175.510 -0.012 0.000 1.038 278 N CA -0.384 52.661 53.050 -0.009 0.000 0.934 278 N CB 1.150 39.638 38.487 0.001 0.000 1.175 278 N HN 0.432 nan 8.380 nan 0.000 0.512 279 L N 0.897 122.106 121.223 -0.023 0.000 2.740 279 L HA -0.090 4.250 4.340 -0.000 0.000 0.242 279 L C 0.594 177.451 176.870 -0.021 0.000 1.175 279 L CA 0.456 55.280 54.840 -0.026 0.000 0.859 279 L CB -1.203 40.830 42.059 -0.043 0.000 0.992 279 L HN 0.508 nan 8.230 nan 0.000 0.454 280 T N -0.377 114.171 114.554 -0.010 0.000 2.657 280 T HA -0.050 4.300 4.350 -0.000 0.000 0.245 280 T C -1.873 172.839 174.700 0.020 0.000 1.021 280 T CA -1.116 60.991 62.100 0.012 0.000 1.155 280 T CB -0.381 68.509 68.868 0.037 0.000 1.022 280 T HN 0.174 nan 8.240 nan 0.000 0.477 281 P HA 0.243 nan 4.420 nan 0.000 0.271 281 P C 0.228 177.563 177.300 0.059 0.000 1.233 281 P CA -0.473 62.690 63.100 0.106 0.000 0.789 281 P CB 0.903 32.747 31.700 0.241 0.000 0.951 282 K N -0.693 119.749 120.400 0.070 0.000 2.450 282 K HA 0.306 4.626 4.320 -0.000 0.000 0.206 282 K C -0.616 176.015 176.600 0.052 0.000 1.148 282 K CA 0.116 56.402 56.287 -0.003 0.000 1.014 282 K CB 0.849 33.344 32.500 -0.007 0.000 0.966 282 K HN 0.194 nan 8.250 nan 0.000 0.566 283 V N 1.460 121.459 119.914 0.141 0.000 2.823 283 V HA 0.167 4.287 4.120 -0.000 0.000 0.296 283 V C -1.179 175.047 176.094 0.220 0.000 1.250 283 V CA -0.945 61.453 62.300 0.162 0.000 0.939 283 V CB 2.149 34.041 31.823 0.114 0.000 1.062 283 V HN -0.260 nan 8.190 nan 0.000 0.433 284 V N 6.201 126.214 119.914 0.165 0.000 2.347 284 V HA 0.526 4.646 4.120 -0.000 0.000 0.280 284 V C -0.198 175.948 176.094 0.087 0.000 1.021 284 V CA -0.441 61.873 62.300 0.023 0.000 0.847 284 V CB 1.525 33.318 31.823 -0.049 0.000 0.990 284 V HN 0.631 nan 8.190 nan 0.000 0.444 285 L N 5.177 126.435 121.223 0.059 0.000 2.307 285 L HA 0.499 4.839 4.340 -0.000 0.000 0.284 285 L C -1.014 175.844 176.870 -0.020 0.000 1.023 285 L CA -0.660 54.260 54.840 0.133 0.000 0.810 285 L CB 1.391 43.584 42.059 0.224 0.000 1.231 285 L HN 0.551 nan 8.230 nan 0.000 0.423 286 Y N 1.607 121.887 120.300 -0.034 0.000 2.751 286 Y HA 0.142 4.692 4.550 0.000 0.000 0.333 286 Y C 0.995 176.882 175.900 -0.022 0.000 1.122 286 Y CA -0.703 57.364 58.100 -0.054 0.000 1.367 286 Y CB 0.497 38.917 38.460 -0.067 0.000 1.242 286 Y HN 0.544 nan 8.280 nan 0.000 0.505 287 S N 2.219 117.954 115.700 0.058 0.000 2.572 287 S HA 0.477 4.947 4.470 -0.000 0.000 0.279 287 S C -0.164 174.469 174.600 0.055 0.000 1.341 287 S CA -0.578 57.657 58.200 0.059 0.000 1.043 287 S CB 1.137 64.361 63.200 0.040 0.000 0.887 287 S HN 0.719 nan 8.310 nan 0.000 0.516 288 E N 0.332 120.563 120.200 0.052 0.000 2.429 288 E HA 0.379 4.729 4.350 -0.000 0.000 0.280 288 E C -2.120 174.500 176.600 0.033 0.000 1.068 288 E CA -1.024 55.401 56.400 0.041 0.000 0.837 288 E CB 0.778 30.505 29.700 0.045 0.000 1.357 288 E HN 0.489 nan 8.360 nan 0.000 0.455 289 D N 1.116 121.529 120.400 0.022 0.000 2.217 289 D HA 0.450 5.090 4.640 -0.000 0.000 0.243 289 D C -0.488 175.813 176.300 0.001 0.000 1.054 289 D CA -0.308 53.701 54.000 0.016 0.000 0.838 289 D CB 2.152 42.961 40.800 0.015 0.000 1.162 289 D HN 0.434 nan 8.370 nan 0.000 0.472 290 V N -0.734 119.174 119.914 -0.010 0.000 2.914 290 V HA 0.409 4.529 4.120 -0.000 0.000 0.314 290 V C 0.101 176.166 176.094 -0.048 0.000 1.084 290 V CA -0.958 61.319 62.300 -0.039 0.000 0.963 290 V CB 2.401 34.189 31.823 -0.058 0.000 1.025 290 V HN 0.326 nan 8.190 nan 0.000 0.432 291 D N 2.858 123.214 120.400 -0.072 0.000 2.671 291 D HA 0.165 4.805 4.640 -0.000 0.000 0.228 291 D C 0.119 176.362 176.300 -0.094 0.000 1.102 291 D CA 0.129 54.090 54.000 -0.065 0.000 1.044 291 D CB 0.109 40.872 40.800 -0.063 0.000 1.113 291 D HN 0.700 nan 8.370 nan 0.000 0.480 292 I N 2.410 122.939 120.570 -0.068 0.000 2.618 292 I HA 0.003 4.173 4.170 -0.000 0.000 0.284 292 I C 0.219 176.321 176.117 -0.027 0.000 1.146 292 I CA 0.221 61.481 61.300 -0.068 0.000 1.425 292 I CB 0.283 38.263 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 -1.305 175.329 176.600 0.056 0.000 0.935 293 E CA -0.922 55.503 56.400 0.042 0.000 0.775 293 E CB 1.735 31.485 29.700 0.084 0.000 1.277 293 E HN 0.456 nan 8.360 nan 0.000 0.455 294 T N -0.996 113.596 114.554 0.065 0.000 3.327 294 T HA 0.315 4.665 4.350 -0.000 0.000 0.373 294 T C -1.790 172.964 174.700 0.091 0.000 1.589 294 T CA -1.423 60.724 62.100 0.079 0.000 1.497 294 T CB 0.819 69.735 68.868 0.080 0.000 1.032 294 T HN 0.331 nan 8.240 nan 0.000 0.640 295 P HA -0.017 nan 4.420 nan 0.000 0.223 295 P C 0.319 177.666 177.300 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 -1.322 119.148 120.400 0.117 0.000 2.563 296 D HA 0.070 4.710 4.640 -0.000 0.000 0.237 296 D C 0.206 176.562 176.300 0.093 0.000 1.282 296 D CA -0.246 53.792 54.000 0.064 0.000 0.816 296 D CB -0.320 40.514 40.800 0.057 0.000 1.066 296 D HN 0.142 nan 8.370 nan 0.000 0.501 297 T N -2.676 111.958 114.554 0.132 0.000 2.865 297 T HA 0.624 4.974 4.350 -0.000 0.000 0.294 297 T C -0.588 174.245 174.700 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 -0.476 118.625 119.070 0.052 0.000 2.977 298 H HA 0.543 5.099 4.556 -0.000 0.000 0.350 298 H C -1.157 174.188 175.328 0.029 0.000 1.238 298 H CA -1.438 54.624 56.048 0.022 0.000 1.124 298 H CB 0.755 30.506 29.762 -0.019 0.000 1.866 298 H HN 0.523 nan 8.280 nan 0.000 0.550 299 I N 2.624 123.200 120.570 0.010 0.000 2.452 299 I HA -0.045 4.125 4.170 -0.000 0.000 0.287 299 I C 1.511 177.572 176.117 -0.093 0.000 1.079 299 I CA 0.219 61.488 61.300 -0.052 0.000 1.387 299 I CB 0.985 38.974 38.000 -0.019 0.000 1.404 299 I HN 0.761 nan 8.210 nan 0.000 0.522 300 S N 5.866 121.494 115.700 -0.120 0.000 2.524 300 S HA 0.017 4.487 4.470 -0.000 0.000 0.216 300 S C 0.111 174.755 174.600 0.073 0.000 0.987 300 S CA 0.078 58.230 58.200 -0.079 0.000 0.909 300 S CB -0.037 63.086 63.200 -0.128 0.000 0.781 300 S HN 0.597 nan 8.310 nan 0.000 0.521 301 Y N 1.282 121.537 120.300 -0.075 0.000 2.294 301 Y HA 0.557 5.107 4.550 -0.000 0.000 0.329 301 Y C -1.309 174.563 175.900 -0.047 0.000 1.135 301 Y CA -1.346 56.722 58.100 -0.054 0.000 1.213 301 Y CB 1.016 39.441 38.460 -0.059 0.000 1.141 301 Y HN 0.048 nan 8.280 nan 0.000 0.446 302 M N 9.033 128.313 119.600 -0.533 0.000 2.063 302 M HA 0.334 4.814 4.480 -0.000 0.000 0.348 302 M C -1.981 173.883 176.300 -0.726 0.000 1.180 302 M CA -2.627 52.378 55.300 -0.492 0.000 1.059 302 M CB 1.125 33.580 32.600 -0.242 0.000 1.544 302 M HN 0.455 nan 8.290 nan 0.000 0.447 303 P HA -0.017 nan 4.420 nan 0.000 0.214 303 P C -0.142 177.007 177.300 -0.252 0.000 1.162 303 P CA 1.151 63.955 63.100 -0.493 0.000 0.874 303 P CB 0.360 31.892 31.700 -0.280 0.000 0.784 304 T N -1.084 113.351 114.554 -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 -0.530 61.493 62.100 -0.128 0.000 1.003 304 T CB 1.750 70.557 68.868 -0.102 0.000 1.084 304 T HN -0.118 nan 8.240 nan 0.000 0.483 305 I N 0.778 121.301 120.570 -0.079 0.000 2.716 305 I HA 0.129 4.299 4.170 -0.000 0.000 0.259 305 I C 0.649 176.737 176.117 -0.048 0.000 1.172 305 I CA 0.507 61.771 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 0.500 nan 8.210 nan 0.000 0.439 306 K N 2.887 123.259 120.400 -0.046 0.000 2.511 306 K HA -0.040 4.280 4.320 -0.000 0.000 0.280 306 K C -0.021 176.559 176.600 -0.034 0.000 1.008 306 K CA 0.342 56.608 56.287 -0.034 0.000 1.050 306 K CB 0.264 32.745 32.500 -0.032 0.000 0.889 306 K HN 0.311 nan 8.250 nan 0.000 0.484 307 E N 0.676 120.864 120.200 -0.020 0.000 2.371 307 E HA 0.306 4.656 4.350 -0.000 0.000 0.257 307 E C 0.258 176.854 176.600 -0.006 0.000 1.134 307 E CA -0.124 56.268 56.400 -0.014 0.000 0.919 307 E CB 0.817 30.514 29.700 -0.005 0.000 1.025 307 E HN 0.711 nan 8.360 nan 0.000 0.438 308 G N 1.481 110.281 108.800 0.000 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 0.011 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 0.523 119.249 118.700 0.042 0.000 2.497 309 N HA 0.573 5.313 4.740 -0.000 0.000 0.268 309 N C 0.578 176.111 175.510 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 40.003 38.487 0.117 0.000 1.069 309 N HN 1.275 nan 8.380 nan 0.000 0.460 310 S N 0.476 116.086 115.700 -0.151 0.000 2.638 310 S HA 0.410 4.880 4.470 -0.000 0.000 0.274 310 S C 0.820 174.918 174.600 -0.837 0.000 1.157 310 S CA -0.971 57.043 58.200 -0.310 0.000 0.826 310 S CB 2.391 65.497 63.200 -0.156 0.000 1.139 310 S HN 0.589 nan 8.310 nan 0.000 0.474 311 R N 0.464 120.329 120.500 -1.057 0.000 2.105 311 R HA -0.103 4.237 4.340 -0.000 0.000 0.239 311 R C 1.421 177.360 176.300 -0.601 0.000 1.135 311 R CA 1.779 57.220 56.100 -1.098 0.000 0.967 311 R CB -0.361 29.621 30.300 -0.531 0.000 0.861 311 R HN 0.731 nan 8.270 nan 0.000 0.442 312 E N 0.926 120.897 120.200 -0.382 0.000 2.070 312 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 312 E C 2.009 178.463 176.600 -0.244 0.000 1.004 312 E CA 1.152 57.404 56.400 -0.248 0.000 0.805 312 E CB -0.334 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 0.289 121.350 121.223 -0.269 0.000 2.450 313 L HA -0.082 4.258 4.340 -0.000 0.000 0.224 313 L C 2.390 179.133 176.870 -0.211 0.000 1.149 313 L CA 0.418 55.129 54.840 -0.214 0.000 0.816 313 L CB -0.293 41.657 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 -0.303 0.000 2.557 314 M HA -0.050 4.430 4.480 -0.000 0.000 0.259 314 M C 1.708 177.903 176.300 -0.175 0.000 1.086 314 M CA 1.065 56.197 55.300 -0.280 0.000 1.096 314 M CB -0.279 32.047 32.600 -0.455 0.000 1.424 314 M HN 0.284 nan 8.290 nan 0.000 0.488 315 G N 0.344 109.070 108.800 -0.124 0.000 3.189 315 G HA2 0.046 4.006 3.960 -0.000 0.000 0.225 315 G HA3 0.046 4.006 3.960 -0.000 0.000 0.225 315 G C 0.332 175.292 174.900 0.101 0.000 1.159 315 G CA -0.397 44.694 45.100 -0.015 0.000 0.763 315 G HN 0.555 nan 8.290 nan 0.000 0.549 316 Q N 0.041 119.852 119.800 0.018 0.000 2.340 316 Q HA 0.479 4.819 4.340 -0.000 0.000 0.249 316 Q C -0.784 175.259 176.000 0.071 0.000 0.957 316 Q CA -0.174 55.653 55.803 0.039 0.000 0.882 316 Q CB 0.936 29.636 28.738 -0.062 0.000 1.235 316 Q HN 0.223 nan 8.270 nan 0.000 0.439 317 Q N 1.012 120.873 119.800 0.102 0.000 2.345 317 Q HA 0.500 4.840 4.340 -0.000 0.000 0.268 317 Q C -1.237 174.761 176.000 -0.004 0.000 1.054 317 Q CA -0.737 55.089 55.803 0.038 0.000 0.835 317 Q CB 2.491 31.243 28.738 0.023 0.000 1.339 317 Q HN 0.716 nan 8.270 nan 0.000 0.447 318 S N 1.669 117.359 115.700 -0.016 0.000 2.549 318 S HA 0.779 5.249 4.470 -0.000 0.000 0.297 318 S C -1.089 173.470 174.600 -0.070 0.000 1.115 318 S CA -0.627 57.579 58.200 0.009 0.000 1.059 318 S CB 0.852 64.172 63.200 0.199 0.000 1.046 318 S HN 0.635 nan 8.310 nan 0.000 0.506 319 M N 5.021 124.545 119.600 -0.127 0.000 2.433 319 M HA 0.536 5.016 4.480 -0.000 0.000 0.290 319 M C -2.773 173.528 176.300 0.001 0.000 1.173 319 M CA -2.138 53.076 55.300 -0.144 0.000 0.905 319 M CB 2.519 34.916 32.600 -0.337 0.000 1.692 319 M HN 0.409 nan 8.290 nan 0.000 0.462 320 P HA 0.082 nan 4.420 nan 0.000 0.271 320 P C -1.216 176.195 177.300 0.185 0.000 1.216 320 P CA -0.064 63.156 63.100 0.200 0.000 0.776 320 P CB 0.331 32.153 31.700 0.205 0.000 0.881 321 N N 2.655 121.454 118.700 0.166 0.000 2.453 321 N HA 0.078 4.818 4.740 -0.000 0.000 0.253 321 N C 0.625 176.108 175.510 -0.044 0.000 1.252 321 N CA 0.033 53.139 53.050 0.093 0.000 0.917 321 N CB 0.176 38.708 38.487 0.074 0.000 1.117 321 N HN 0.295 nan 8.380 nan 0.000 0.442 322 R N 1.820 122.241 120.500 -0.132 0.000 2.570 322 R HA 0.112 4.452 4.340 -0.000 0.000 0.277 322 R C -1.875 174.317 176.300 -0.180 0.000 1.039 322 R CA -0.902 55.074 56.100 -0.207 0.000 1.065 322 R CB -0.074 30.032 30.300 -0.324 0.000 0.964 322 R HN 0.429 nan 8.270 nan 0.000 0.428 323 P HA 0.004 nan 4.420 nan 0.000 0.271 323 P C -0.962 176.174 177.300 -0.273 0.000 1.218 323 P CA -0.109 62.766 63.100 -0.375 0.000 0.780 323 P CB 0.652 32.127 31.700 -0.376 0.000 0.901 324 N N 1.745 120.190 118.700 -0.424 0.000 2.629 324 N HA 0.212 4.952 4.740 -0.000 0.000 0.277 324 N C -1.768 173.578 175.510 -0.274 0.000 1.188 324 N CA -0.409 52.506 53.050 -0.224 0.000 0.835 324 N CB 0.164 38.579 38.487 -0.121 0.000 1.420 324 N HN 0.143 nan 8.380 nan 0.000 0.542 325 Y N 2.752 123.085 120.300 0.054 0.000 2.319 325 Y HA 0.481 5.031 4.550 0.000 0.000 0.328 325 Y C 0.579 176.586 175.900 0.179 0.000 1.133 325 Y CA -0.105 58.091 58.100 0.161 0.000 1.265 325 Y CB 0.914 39.458 38.460 0.140 0.000 1.218 325 Y HN 0.308 nan 8.280 nan 0.000 0.508 326 I N 2.926 123.737 120.570 0.402 0.000 2.533 326 I HA 0.774 4.944 4.170 -0.000 0.000 0.290 326 I C -0.456 175.619 176.117 -0.069 0.000 1.056 326 I CA -0.691 60.658 61.300 0.082 0.000 1.057 326 I CB 1.746 39.721 38.000 -0.042 0.000 1.240 326 I HN 0.720 nan 8.210 nan 0.000 0.423 327 A N 4.714 127.466 122.820 -0.113 0.000 2.536 327 A HA 0.743 5.063 4.320 -0.000 0.000 0.293 327 A C -1.534 175.945 177.584 -0.176 0.000 1.119 327 A CA -0.552 51.380 52.037 -0.175 0.000 0.654 327 A CB 0.778 19.760 19.000 -0.030 0.000 1.291 327 A HN 0.395 nan 8.150 nan 0.000 0.439 328 F N 1.288 121.218 119.950 -0.032 0.000 2.444 328 F HA 0.473 5.000 4.527 0.000 0.000 0.331 328 F C 1.546 177.328 175.800 -0.031 0.000 1.167 328 F CA 0.485 58.496 58.000 0.018 0.000 1.262 328 F CB 0.665 39.759 39.000 0.156 0.000 1.196 328 F HN 0.532 nan 8.300 nan 0.000 0.583 329 R N 0.324 120.956 120.500 0.220 0.000 2.649 329 R HA 0.105 4.445 4.340 -0.000 0.000 0.270 329 R C -0.700 175.579 176.300 -0.035 0.000 1.105 329 R CA -0.833 55.318 56.100 0.084 0.000 1.193 329 R CB 0.180 30.547 30.300 0.113 0.000 1.120 329 R HN 0.507 nan 8.270 nan 0.000 0.561 330 D N 0.795 121.175 120.400 -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 -0.056 0.000 1.154 330 D CA 0.914 54.875 54.000 -0.066 0.000 0.876 330 D CB -0.026 40.763 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 -0.229 175.302 175.510 0.035 0.000 1.117 331 N CA 0.479 53.510 53.050 -0.032 0.000 0.719 331 N CB -1.533 37.031 38.487 0.129 0.000 1.081 331 N HN 0.542 nan 8.380 nan 0.000 0.557 332 F N -1.932 118.061 119.950 0.073 0.000 3.091 332 F HA -0.271 4.256 4.527 -0.000 0.000 0.288 332 F C 0.526 176.374 175.800 0.079 0.000 0.907 332 F CA 0.080 58.113 58.000 0.055 0.000 1.028 332 F CB -1.459 37.544 39.000 0.004 0.000 1.022 332 F HN 0.197 nan 8.300 nan 0.000 0.665 333 I N 0.827 121.514 120.570 0.196 0.000 2.775 333 I HA 0.107 4.277 4.170 -0.000 0.000 0.290 333 I C 1.558 177.788 176.117 0.187 0.000 1.203 333 I CA 1.583 62.986 61.300 0.172 0.000 1.433 333 I CB 0.336 38.407 38.000 0.118 0.000 1.354 333 I HN 0.553 nan 8.210 nan 0.000 0.579 334 G N 4.487 113.387 108.800 0.167 0.000 2.268 334 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.240 334 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.240 334 G C 0.871 175.818 174.900 0.079 0.000 1.010 334 G CA 0.312 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 0.027 121.342 121.223 0.155 0.000 2.046 335 L HA 0.253 4.593 4.340 -0.000 0.000 0.208 335 L C 1.774 178.684 176.870 0.066 0.000 1.077 335 L CA 1.257 56.201 54.840 0.173 0.000 0.747 335 L CB -0.161 42.008 42.059 0.184 0.000 0.896 335 L HN 0.414 nan 8.230 nan 0.000 0.432 336 M N -1.963 117.595 119.600 -0.069 0.000 2.423 336 M HA 0.224 4.704 4.480 -0.000 0.000 0.335 336 M C -1.144 174.949 176.300 -0.345 0.000 1.177 336 M CA -0.507 54.590 55.300 -0.338 0.000 1.038 336 M CB 1.639 33.911 32.600 -0.547 0.000 1.641 336 M HN -0.198 nan 8.290 nan 0.000 0.455 337 Y N 1.641 121.770 120.300 -0.286 0.000 2.335 337 Y HA 0.291 4.841 4.550 -0.000 0.000 0.331 337 Y C -0.920 174.831 175.900 -0.247 0.000 1.094 337 Y CA 0.548 58.534 58.100 -0.190 0.000 1.253 337 Y CB 0.456 38.800 38.460 -0.194 0.000 1.203 337 Y HN 0.392 nan 8.280 nan 0.000 0.508 338 Y N 0.834 121.302 120.300 0.279 0.000 2.562 338 Y HA 0.230 4.780 4.550 -0.000 0.000 0.345 338 Y C -0.052 175.964 175.900 0.192 0.000 1.045 338 Y CA -2.178 56.073 58.100 0.251 0.000 1.028 338 Y CB 1.468 40.100 38.460 0.286 0.000 1.297 338 Y HN 0.643 nan 8.280 nan 0.000 0.463 339 N N 0.142 119.050 118.700 0.347 0.000 2.721 339 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 339 N C -1.001 174.604 175.510 0.158 0.000 1.072 339 N CA 1.137 54.333 53.050 0.243 0.000 0.710 339 N CB -1.298 37.356 38.487 0.278 0.000 0.993 339 N HN 0.400 nan 8.380 nan 0.000 0.547 340 S N -0.580 115.181 115.700 0.101 0.000 2.652 340 S HA 0.237 4.707 4.470 -0.000 0.000 0.252 340 S C 1.396 175.967 174.600 -0.048 0.000 1.219 340 S CA -0.285 57.946 58.200 0.051 0.000 1.151 340 S CB 1.389 64.664 63.200 0.126 0.000 1.080 340 S HN 0.371 nan 8.310 nan 0.000 0.481 341 T N 0.121 114.647 114.554 -0.046 0.000 2.869 341 T HA -0.136 4.213 4.350 -0.000 0.000 0.270 341 T C 1.906 176.534 174.700 -0.119 0.000 1.082 341 T CA 1.559 63.609 62.100 -0.084 0.000 1.123 341 T CB -0.372 68.463 68.868 -0.055 0.000 0.856 341 T HN 0.623 nan 8.240 nan 0.000 0.499 342 G N 1.219 109.949 108.800 -0.117 0.000 2.511 342 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.217 342 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.217 342 G C 0.989 175.750 174.900 -0.231 0.000 1.133 342 G CA 0.004 45.020 45.100 -0.140 0.000 0.792 342 G HN 0.581 nan 8.290 nan 0.000 0.539 343 N N 0.608 119.114 118.700 -0.322 0.000 2.642 343 N HA 0.218 4.958 4.740 -0.000 0.000 0.308 343 N C -0.269 174.956 175.510 -0.475 0.000 1.914 343 N CA -0.110 52.646 53.050 -0.491 0.000 0.893 343 N CB 0.709 38.614 38.487 -0.970 0.000 1.322 343 N HN 0.242 nan 8.380 nan 0.000 0.490 344 M N 0.487 119.848 119.600 -0.398 0.000 2.228 344 M HA 0.218 4.698 4.480 -0.000 0.000 0.351 344 M C 1.366 177.241 176.300 -0.708 0.000 1.233 344 M CA -0.132 54.883 55.300 -0.475 0.000 1.129 344 M CB 0.521 32.922 32.600 -0.332 0.000 1.604 344 M HN 0.076 nan 8.290 nan 0.000 0.457 345 G N 1.773 109.872 108.800 -1.168 0.000 2.636 345 G HA2 0.462 4.422 3.960 -0.000 0.000 0.246 345 G HA3 0.462 4.422 3.960 -0.000 0.000 0.246 345 G C -0.778 173.684 174.900 -0.731 0.000 1.216 345 G CA -0.539 43.504 45.100 -1.763 0.000 0.854 345 G HN 0.575 nan 8.290 nan 0.000 0.572 346 V N 0.941 120.674 119.914 -0.302 0.000 2.623 346 V HA 0.501 4.621 4.120 -0.000 0.000 0.304 346 V C -0.891 175.391 176.094 0.314 0.000 1.054 346 V CA -0.617 61.692 62.300 0.015 0.000 0.882 346 V CB 1.637 33.456 31.823 -0.007 0.000 1.002 346 V HN 0.677 nan 8.190 nan 0.000 0.424 347 L N 4.815 126.194 121.223 0.260 0.000 2.504 347 L HA 0.950 5.290 4.340 -0.000 0.000 0.265 347 L C -0.398 176.583 176.870 0.186 0.000 0.975 347 L CA -0.053 54.944 54.840 0.262 0.000 0.864 347 L CB 1.281 43.450 42.059 0.184 0.000 1.212 347 L HN 0.859 nan 8.230 nan 0.000 0.416 348 A N 2.966 125.912 122.820 0.211 0.000 2.549 348 A HA 0.843 5.163 4.320 -0.000 0.000 0.297 348 A C -0.201 177.529 177.584 0.244 0.000 1.061 348 A CA -0.200 51.956 52.037 0.198 0.000 0.690 348 A CB 1.279 20.356 19.000 0.129 0.000 1.287 348 A HN 0.903 nan 8.150 nan 0.000 0.402 349 G N -0.168 108.765 108.800 0.222 0.000 2.442 349 G HA2 0.397 4.357 3.960 -0.000 0.000 0.249 349 G HA3 0.397 4.357 3.960 -0.000 0.000 0.249 349 G C 0.401 175.301 174.900 0.000 0.000 1.263 349 G CA -0.080 45.057 45.100 0.062 0.000 0.846 349 G HN 0.842 nan 8.290 nan 0.000 0.555 350 Q N 1.373 121.129 119.800 -0.074 0.000 2.050 350 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 350 Q C 2.961 178.945 176.000 -0.027 0.000 0.980 350 Q CA 1.740 57.522 55.803 -0.035 0.000 0.840 350 Q CB -0.110 28.597 28.738 -0.053 0.000 0.898 350 Q HN 0.712 nan 8.270 nan 0.000 0.424 351 A N 0.060 122.851 122.820 -0.047 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 -0.003 0.000 1.181 351 A CA 1.770 53.790 52.037 -0.028 0.000 0.623 351 A CB -0.743 18.233 19.000 -0.038 0.000 0.818 351 A HN 0.336 nan 8.150 nan 0.000 0.443 352 S N -0.822 114.885 115.700 0.012 0.000 2.368 352 S HA -0.234 4.236 4.470 -0.000 0.000 0.224 352 S C 1.467 176.092 174.600 0.041 0.000 1.029 352 S CA 1.808 60.033 58.200 0.041 0.000 0.988 352 S CB -0.348 62.895 63.200 0.071 0.000 0.838 352 S HN 0.753 nan 8.310 nan 0.000 0.462 353 Q N -1.303 118.520 119.800 0.039 0.000 2.177 353 Q HA -0.204 4.136 4.340 -0.000 0.000 0.174 353 Q C 0.134 176.161 176.000 0.045 0.000 0.609 353 Q CA 1.185 57.009 55.803 0.035 0.000 1.453 353 Q CB -1.904 26.846 28.738 0.021 0.000 1.591 353 Q HN 0.470 nan 8.270 nan 0.000 0.818 354 L N 2.520 123.779 121.223 0.060 0.000 2.367 354 L HA 0.300 4.640 4.340 -0.000 0.000 0.275 354 L C 0.131 177.051 176.870 0.084 0.000 1.129 354 L CA 0.496 55.376 54.840 0.067 0.000 0.839 354 L CB 0.892 42.998 42.059 0.079 0.000 1.133 354 L HN 0.334 nan 8.230 nan 0.000 0.453 355 N N 3.109 121.851 118.700 0.070 0.000 2.420 355 N HA 0.142 4.882 4.740 -0.000 0.000 0.262 355 N C 0.855 176.436 175.510 0.119 0.000 1.144 355 N CA 0.131 53.226 53.050 0.076 0.000 0.952 355 N CB 1.158 39.660 38.487 0.025 0.000 1.081 355 N HN 0.782 nan 8.380 nan 0.000 0.480 356 A N 3.724 126.635 122.820 0.152 0.000 2.119 356 A HA 0.041 4.361 4.320 -0.000 0.000 0.217 356 A C 0.621 178.388 177.584 0.305 0.000 1.153 356 A CA 0.451 52.615 52.037 0.211 0.000 0.692 356 A CB 0.204 19.300 19.000 0.160 0.000 0.799 356 A HN 0.463 nan 8.150 nan 0.000 0.458 357 V N 1.012 121.047 119.914 0.200 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 -0.021 0.000 1.043 357 V CA -0.184 62.207 62.300 0.151 0.000 0.915 357 V CB 1.246 33.059 31.823 -0.018 0.000 0.988 357 V HN 0.086 nan 8.190 nan 0.000 0.466 358 V N 4.461 124.288 119.914 -0.145 0.000 2.419 358 V HA 0.441 4.561 4.120 -0.000 0.000 0.287 358 V C -0.552 175.370 176.094 -0.287 0.000 1.017 358 V CA -0.549 61.523 62.300 -0.381 0.000 0.844 358 V CB 1.644 33.016 31.823 -0.752 0.000 1.011 358 V HN 0.823 nan 8.190 nan 0.000 0.429 359 D N 3.313 123.619 120.400 -0.156 0.000 2.326 359 D HA 0.770 5.410 4.640 -0.000 0.000 0.248 359 D C -0.858 175.465 176.300 0.038 0.000 1.001 359 D CA -0.268 53.743 54.000 0.018 0.000 0.961 359 D CB 2.241 43.000 40.800 -0.069 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 0.133 0.000 2.388 360 L HA 0.331 4.671 4.340 -0.000 0.000 0.264 360 L C 1.013 177.961 176.870 0.130 0.000 0.998 360 L CA -0.667 54.237 54.840 0.107 0.000 0.817 360 L CB 2.220 44.355 42.059 0.126 0.000 1.338 360 L HN 0.387 nan 8.230 nan 0.000 0.414 361 Q N -1.007 118.849 119.800 0.093 0.000 2.415 361 Q HA -0.045 4.295 4.340 -0.000 0.000 0.206 361 Q C 0.175 176.244 176.000 0.116 0.000 0.946 361 Q CA 0.509 56.373 55.803 0.101 0.000 0.951 361 Q CB 0.213 28.985 28.738 0.057 0.000 1.026 361 Q HN 0.597 nan 8.270 nan 0.000 0.510 362 D N 0.836 121.310 120.400 0.124 0.000 2.354 362 D HA 0.038 4.678 4.640 -0.000 0.000 0.209 362 D C -0.038 176.361 176.300 0.165 0.000 1.015 362 D CA 0.062 54.140 54.000 0.130 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 0.313 120.926 120.500 0.188 0.000 2.573 363 R HA 0.301 4.641 4.340 -0.000 0.000 0.272 363 R C -0.710 175.717 176.300 0.211 0.000 1.009 363 R CA -0.517 55.703 56.100 0.199 0.000 1.059 363 R CB 0.681 31.136 30.300 0.259 0.000 1.112 363 R HN -0.202 nan 8.270 nan 0.000 0.517 364 N N 1.253 120.048 118.700 0.157 0.000 2.746 364 N HA 0.127 4.867 4.740 -0.000 0.000 0.250 364 N C -0.377 175.173 175.510 0.067 0.000 1.146 364 N CA -0.190 52.922 53.050 0.103 0.000 0.828 364 N CB 1.429 39.903 38.487 -0.021 0.000 1.158 364 N HN 0.572 nan 8.380 nan 0.000 0.519 365 T N 0.910 115.522 114.554 0.096 0.000 2.746 365 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 365 T C 1.354 176.006 174.700 -0.080 0.000 1.039 365 T CA 1.115 63.209 62.100 -0.010 0.000 1.142 365 T CB 0.208 68.986 68.868 -0.150 0.000 0.866 365 T HN 0.443 nan 8.240 nan 0.000 0.444 366 E N 0.872 121.042 120.200 -0.051 0.000 2.051 366 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 366 E C 2.257 178.865 176.600 0.013 0.000 0.991 366 E CA 0.831 57.227 56.400 -0.007 0.000 0.799 366 E CB -0.485 29.252 29.700 0.062 0.000 0.748 366 E HN 0.301 nan 8.360 nan 0.000 0.449 367 L N 1.084 122.284 121.223 -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 1.671 56.472 54.840 -0.065 0.000 0.755 367 L CB -0.688 41.313 42.059 -0.097 0.000 0.904 367 L HN -0.019 nan 8.230 nan 0.000 0.435 368 S N -1.682 114.029 115.700 0.019 0.000 2.383 368 S HA -0.304 4.166 4.470 -0.000 0.000 0.229 368 S C 2.110 176.744 174.600 0.056 0.000 1.030 368 S CA 1.603 59.843 58.200 0.067 0.000 1.002 368 S CB -0.598 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 1.395 121.645 120.300 -0.084 0.000 2.314 369 Y HA -0.014 4.536 4.550 -0.000 0.000 0.293 369 Y C 2.571 178.403 175.900 -0.114 0.000 1.129 369 Y CA 1.512 59.545 58.100 -0.112 0.000 1.201 369 Y CB -0.144 38.243 38.460 -0.121 0.000 0.999 369 Y HN 0.267 nan 8.280 nan 0.000 0.541 370 Q N 0.249 120.039 119.800 -0.018 0.000 2.046 370 Q HA -0.163 4.177 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 1.676 57.437 55.803 -0.071 0.000 0.836 370 Q CB -0.510 28.158 28.738 -0.116 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 -0.183 0.000 2.141 371 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 371 L C 2.414 179.031 176.870 -0.420 0.000 1.094 371 L CA 0.366 55.116 54.840 -0.149 0.000 0.763 371 L CB -0.491 41.586 42.059 0.031 0.000 0.908 371 L HN 0.184 nan 8.230 nan 0.000 0.437 372 L N 0.176 120.993 121.223 -0.676 0.000 2.017 372 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 372 L C 2.354 178.867 176.870 -0.595 0.000 1.073 372 L CA 1.730 55.960 54.840 -1.016 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 -0.455 120.484 121.223 -0.474 0.000 2.083 373 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 373 L C 2.280 179.056 176.870 -0.156 0.000 1.083 373 L CA 1.624 56.278 54.840 -0.310 0.000 0.752 373 L CB -0.757 41.134 42.059 -0.280 0.000 0.899 373 L HN 0.397 nan 8.230 nan 0.000 0.433 374 D N -0.373 119.979 120.400 -0.080 0.000 2.178 374 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 374 D C 2.234 178.521 176.300 -0.022 0.000 0.980 374 D CA 1.353 55.358 54.000 0.008 0.000 0.842 374 D CB 0.169 41.094 40.800 0.209 0.000 0.948 374 D HN 0.299 nan 8.370 nan 0.000 0.472 375 S N -0.287 115.356 115.700 -0.094 0.000 2.446 375 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 1.016 375 S CA 0.543 58.718 58.200 -0.041 0.000 0.943 375 S CB -0.623 62.545 63.200 -0.052 0.000 0.786 375 S HN 0.545 nan 8.310 nan 0.000 0.508 376 I N -2.024 118.493 120.570 -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 -0.452 60.815 61.300 -0.054 0.000 1.112 376 I CB 0.173 38.127 38.000 -0.077 0.000 1.043 376 I HN 0.326 nan 8.210 nan 0.000 0.395 377 G N 0.525 109.305 108.800 -0.033 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 -0.174 120.214 120.400 -0.021 0.000 2.468 378 D HA 0.274 4.914 4.640 -0.000 0.000 0.218 378 D C 1.359 177.643 176.300 -0.027 0.000 1.155 378 D CA -0.666 53.316 54.000 -0.030 0.000 0.924 378 D CB 1.264 42.041 40.800 -0.038 0.000 1.029 378 D HN 0.272 nan 8.370 nan 0.000 0.515 379 R N 1.297 121.776 120.500 -0.035 0.000 2.377 379 R HA -0.072 4.268 4.340 -0.000 0.000 0.207 379 R C 1.802 178.099 176.300 -0.006 0.000 1.075 379 R CA 1.158 57.246 56.100 -0.019 0.000 1.035 379 R CB -0.604 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 -0.045 0.000 3.081 380 T HA 0.176 4.526 4.350 -0.000 0.000 0.255 380 T C 0.713 175.318 174.700 -0.158 0.000 1.113 380 T CA -0.131 61.923 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 1.138 121.583 120.500 -0.092 0.000 2.410 381 R HA 0.394 4.734 4.340 -0.000 0.000 0.288 381 R C -0.957 175.397 176.300 0.090 0.000 1.051 381 R CA -0.502 55.522 56.100 -0.127 0.000 1.021 381 R CB 0.523 30.780 30.300 -0.072 0.000 1.032 381 R HN 0.278 nan 8.270 nan 0.000 0.481 382 Y N 1.781 122.005 120.300 -0.126 0.000 2.352 382 Y HA 0.371 4.921 4.550 -0.000 0.000 0.326 382 Y C -0.037 175.908 175.900 0.074 0.000 1.166 382 Y CA -1.385 56.630 58.100 -0.142 0.000 1.182 382 Y CB 0.929 39.055 38.460 -0.556 0.000 1.216 382 Y HN 0.461 nan 8.280 nan 0.000 0.474 383 F N 2.269 122.294 119.950 0.124 0.000 2.828 383 F HA 0.192 4.719 4.527 -0.000 0.000 0.355 383 F C 0.878 176.723 175.800 0.075 0.000 1.200 383 F CA -0.600 57.448 58.000 0.079 0.000 1.062 383 F CB 1.441 40.487 39.000 0.076 0.000 1.351 383 F HN 0.563 nan 8.300 nan 0.000 0.504 384 S N 4.925 120.766 115.700 0.234 0.000 2.400 384 S HA -0.261 4.209 4.470 -0.000 0.000 0.232 384 S C 1.956 176.352 174.600 -0.340 0.000 1.025 384 S CA 1.351 59.560 58.200 0.015 0.000 0.993 384 S CB -0.266 62.990 63.200 0.094 0.000 0.808 384 S HN 0.907 nan 8.310 nan 0.000 0.478 385 M N -0.015 119.064 119.600 -0.868 0.000 2.082 385 M HA -0.072 4.408 4.480 -0.000 0.000 0.258 385 M C 1.152 176.974 176.300 -0.797 0.000 1.069 385 M CA 1.857 56.500 55.300 -1.095 0.000 1.102 385 M CB -0.217 31.338 32.600 -1.742 0.000 1.336 385 M HN 0.553 nan 8.290 nan 0.000 0.404 386 W N -0.368 120.551 121.300 -0.634 0.000 3.316 386 W HA 0.224 4.884 4.660 -0.000 0.000 0.327 386 W C 0.442 176.727 176.519 -0.391 0.000 1.232 386 W CA -0.667 56.530 57.345 -0.248 0.000 1.805 386 W CB -0.111 29.241 29.460 -0.179 0.000 1.090 386 W HN 0.360 nan 8.180 nan 0.000 0.654 387 N N 1.413 119.945 118.700 -0.281 0.000 2.754 387 N HA -0.259 4.481 4.740 -0.000 0.000 0.248 387 N C -0.034 175.339 175.510 -0.228 0.000 1.093 387 N CA 0.693 53.476 53.050 -0.444 0.000 0.699 387 N CB -1.112 36.595 38.487 -1.300 0.000 1.016 387 N HN 0.335 nan 8.380 nan 0.000 0.552 388 Q N 0.268 120.043 119.800 -0.043 0.000 2.534 388 Q HA 0.496 4.836 4.340 -0.000 0.000 0.223 388 Q C -0.862 175.142 176.000 0.006 0.000 1.239 388 Q CA 0.261 56.105 55.803 0.069 0.000 0.936 388 Q CB 0.083 28.979 28.738 0.263 0.000 1.457 388 Q HN 0.408 nan 8.270 nan 0.000 0.547 389 A N 3.962 126.701 122.820 -0.134 0.000 2.679 389 A HA 0.270 4.590 4.320 -0.000 0.000 0.288 389 A C -0.880 176.581 177.584 -0.204 0.000 1.160 389 A CA -0.571 51.198 52.037 -0.445 0.000 0.763 389 A CB 1.114 19.597 19.000 -0.862 0.000 1.270 389 A HN 0.511 nan 8.150 nan 0.000 0.417 390 V N 2.635 122.537 119.914 -0.020 0.000 2.788 390 V HA 0.049 4.169 4.120 -0.000 0.000 0.307 390 V C 0.086 176.200 176.094 0.033 0.000 1.069 390 V CA 0.299 62.614 62.300 0.025 0.000 1.173 390 V CB 0.498 32.352 31.823 0.053 0.000 0.925 390 V HN 0.813 nan 8.190 nan 0.000 0.492 391 D N 4.365 124.785 120.400 0.033 0.000 2.389 391 D HA 0.393 5.033 4.640 -0.000 0.000 0.247 391 D C 0.031 176.477 176.300 0.242 0.000 1.128 391 D CA 0.509 54.574 54.000 0.108 0.000 0.884 391 D CB 1.358 42.168 40.800 0.018 0.000 1.194 391 D HN 0.831 nan 8.370 nan 0.000 0.441 392 S N 1.021 116.914 115.700 0.322 0.000 2.688 392 S HA 0.724 5.194 4.470 -0.000 0.000 0.275 392 S C -1.122 173.517 174.600 0.064 0.000 1.175 392 S CA -0.991 57.323 58.200 0.190 0.000 0.818 392 S CB 1.592 64.792 63.200 -0.001 0.000 1.157 392 S HN 0.547 nan 8.310 nan 0.000 0.482 393 Y N -1.092 119.129 120.300 -0.133 0.000 2.644 393 Y HA 0.744 5.294 4.550 0.000 0.000 0.338 393 Y C -1.084 174.682 175.900 -0.224 0.000 1.119 393 Y CA -1.216 56.710 58.100 -0.290 0.000 1.060 393 Y CB 0.650 38.782 38.460 -0.548 0.000 1.294 393 Y HN 0.617 nan 8.280 nan 0.000 0.472 394 D N 2.057 122.471 120.400 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 0.123 0.000 1.187 394 D CA -2.290 51.722 54.000 0.020 0.000 0.875 394 D CB 1.734 42.510 40.800 -0.040 0.000 1.136 394 D HN 0.356 nan 8.370 nan 0.000 0.469 395 P HA -0.098 nan 4.420 nan 0.000 0.216 395 P C 0.509 177.855 177.300 0.077 0.000 1.150 395 P CA 0.880 64.053 63.100 0.123 0.000 0.837 395 P CB 0.326 32.056 31.700 0.051 0.000 0.786 396 D N -1.446 119.009 120.400 0.091 0.000 2.348 396 D HA -0.038 4.602 4.640 -0.000 0.000 0.216 396 D C 1.717 178.128 176.300 0.186 0.000 0.970 396 D CA 0.700 54.786 54.000 0.144 0.000 0.889 396 D CB 0.021 40.918 40.800 0.162 0.000 0.912 396 D HN 0.095 nan 8.370 nan 0.000 0.524 397 V N 0.430 120.375 119.914 0.051 0.000 2.685 397 V HA -0.055 4.065 4.120 -0.000 0.000 0.244 397 V C 2.378 178.337 176.094 -0.224 0.000 1.054 397 V CA 0.595 62.823 62.300 -0.120 0.000 1.076 397 V CB -0.040 31.553 31.823 -0.383 0.000 0.725 397 V HN -0.028 nan 8.190 nan 0.000 0.467 398 R N 0.735 121.062 120.500 -0.288 0.000 2.075 398 R HA 0.069 4.409 4.340 -0.000 0.000 0.232 398 R C 0.606 176.765 176.300 -0.235 0.000 1.126 398 R CA 1.527 57.376 56.100 -0.418 0.000 0.963 398 R CB -0.155 29.753 30.300 -0.655 0.000 0.858 398 R HN 0.455 nan 8.270 nan 0.000 0.435 399 I N 1.595 122.097 120.570 -0.114 0.000 2.439 399 I HA 0.270 4.440 4.170 -0.000 0.000 0.283 399 I C -0.627 175.510 176.117 0.032 0.000 1.023 399 I CA -0.760 60.502 61.300 -0.064 0.000 1.100 399 I CB 1.951 39.918 38.000 -0.055 0.000 1.238 399 I HN -0.022 nan 8.210 nan 0.000 0.445 400 I N 5.882 126.495 120.570 0.071 0.000 2.517 400 I HA 0.079 4.249 4.170 -0.000 0.000 0.285 400 I C 0.653 176.880 176.117 0.184 0.000 1.106 400 I CA 0.311 61.713 61.300 0.170 0.000 1.402 400 I CB 0.391 38.503 38.000 0.185 0.000 1.399 400 I HN 0.616 nan 8.210 nan 0.000 0.535 401 E N 6.689 126.998 120.200 0.182 0.000 2.173 401 E HA 0.109 4.459 4.350 -0.000 0.000 0.249 401 E C -0.671 175.951 176.600 0.038 0.000 0.923 401 E CA -0.505 55.965 56.400 0.116 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 2.859 121.624 118.700 0.109 0.000 2.719 402 N HA -0.008 4.732 4.740 -0.000 0.000 0.243 402 N C -0.159 175.307 175.510 -0.073 0.000 1.104 402 N CA -0.117 52.975 53.050 0.069 0.000 0.981 402 N CB 0.086 38.740 38.487 0.278 0.000 1.290 402 N HN 0.500 nan 8.380 nan 0.000 0.513 403 H N 1.228 120.210 119.070 -0.147 0.000 2.538 403 H HA 0.440 4.996 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 -0.141 0.000 1.169 403 H CB -0.210 29.464 29.762 -0.146 0.000 1.417 403 H HN 0.510 nan 8.280 nan 0.000 0.567 404 G N 0.726 109.380 108.800 -0.243 0.000 2.542 404 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.235 404 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.235 404 G C -0.158 174.537 174.900 -0.341 0.000 1.286 404 G CA -0.014 44.968 45.100 -0.196 0.000 0.904 404 G HN 1.091 nan 8.290 nan 0.000 0.577 405 T N -2.517 111.946 114.554 -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 2.266 122.431 120.200 -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 0.122 29.790 29.700 -0.053 0.000 1.143 406 E HN 0.699 nan 8.360 nan 0.000 0.441 407 D N 1.378 121.754 120.400 -0.039 0.000 2.643 407 D HA 0.017 4.657 4.640 -0.000 0.000 0.244 407 D C 0.596 176.866 176.300 -0.049 0.000 1.257 407 D CA -0.251 53.722 54.000 -0.045 0.000 0.831 407 D CB 0.371 41.147 40.800 -0.041 0.000 1.043 407 D HN 0.090 nan 8.370 nan 0.000 0.488 408 E N 0.324 120.499 120.200 -0.041 0.000 2.058 408 E HA -0.003 4.347 4.350 -0.000 0.000 0.194 408 E C 0.576 177.152 176.600 -0.041 0.000 0.997 408 E CA 0.846 57.224 56.400 -0.036 0.000 0.801 408 E CB 0.071 29.754 29.700 -0.028 0.000 0.746 408 E HN 0.423 nan 8.360 nan 0.000 0.450 409 L N 2.488 123.683 121.223 -0.047 0.000 2.326 409 L HA 0.285 4.625 4.340 -0.000 0.000 0.278 409 L C -1.969 174.834 176.870 -0.112 0.000 1.092 409 L CA -2.078 52.731 54.840 -0.053 0.000 0.810 409 L CB 0.595 42.633 42.059 -0.034 0.000 1.153 409 L HN 0.037 nan 8.230 nan 0.000 0.439 410 P HA 0.174 nan 4.420 nan 0.000 0.277 410 P C -1.475 175.496 177.300 -0.548 0.000 1.240 410 P CA -0.533 62.343 63.100 -0.374 0.000 0.798 410 P CB 0.841 32.291 31.700 -0.415 0.000 0.979 411 N N 1.168 119.494 118.700 -0.624 0.000 2.372 411 N HA 0.412 5.152 4.740 -0.000 0.000 0.285 411 N C -0.999 174.135 175.510 -0.627 0.000 1.008 411 N CA -0.477 52.286 53.050 -0.479 0.000 0.880 411 N CB 1.064 39.407 38.487 -0.239 0.000 1.239 411 N HN 0.407 nan 8.380 nan 0.000 0.484 412 Y N -0.124 120.060 120.300 -0.193 0.000 2.602 412 Y HA 0.640 5.190 4.550 0.000 0.000 0.342 412 Y C 0.177 175.719 175.900 -0.598 0.000 1.029 412 Y CA -1.243 56.581 58.100 -0.460 0.000 1.080 412 Y CB 1.182 39.209 38.460 -0.721 0.000 1.284 412 Y HN 0.480 nan 8.280 nan 0.000 0.485 413 C N -0.108 118.869 119.300 -0.539 0.000 2.507 413 C HA 0.897 5.357 4.460 -0.000 0.000 0.319 413 C C -0.972 173.605 174.990 -0.688 0.000 1.208 413 C CA -1.138 57.630 59.018 -0.416 0.000 1.619 413 C CB -0.412 27.223 27.740 -0.175 0.000 2.230 413 C HN 0.632 nan 8.230 nan 0.000 0.492 414 F N 0.201 120.141 119.950 -0.017 0.000 2.639 414 F HA 0.754 5.281 4.527 -0.000 0.000 0.339 414 F C -2.034 173.764 175.800 -0.004 0.000 1.071 414 F CA -2.323 55.655 58.000 -0.036 0.000 0.994 414 F CB 0.241 39.211 39.000 -0.050 0.000 1.341 414 F HN 0.361 nan 8.300 nan 0.000 0.498 415 P HA 0.210 nan 4.420 nan 0.000 0.269 415 P C 0.723 178.033 177.300 0.016 0.000 1.215 415 P CA -0.086 63.101 63.100 0.145 0.000 0.780 415 P CB 0.624 32.417 31.700 0.154 0.000 0.898 416 L N 1.117 122.325 121.223 -0.025 0.000 2.083 416 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 416 L C 2.482 179.001 176.870 -0.586 0.000 1.083 416 L CA 1.914 56.657 54.840 -0.160 0.000 0.752 416 L CB -1.172 40.880 42.059 -0.011 0.000 0.899 416 L HN 0.600 nan 8.230 nan 0.000 0.433 417 G N -0.864 107.463 108.800 -0.789 0.000 2.422 417 G HA2 0.026 3.986 3.960 -0.000 0.000 0.218 417 G HA3 0.026 3.986 3.960 -0.000 0.000 0.218 417 G C 1.303 175.725 174.900 -0.796 0.000 1.146 417 G CA 0.926 45.031 45.100 -1.659 0.000 0.769 417 G HN 0.580 nan 8.290 nan 0.000 0.547 418 G N -2.508 106.070 108.800 -0.369 0.000 2.184 418 G HA2 0.096 4.056 3.960 -0.000 0.000 0.206 418 G HA3 0.096 4.056 3.960 -0.000 0.000 0.206 418 G C 0.002 174.842 174.900 -0.101 0.000 0.995 418 G CA 0.345 45.316 45.100 -0.215 0.000 0.651 418 G HN 1.567 nan 8.290 nan 0.000 0.511 419 V N -0.525 119.357 119.914 -0.053 0.000 3.121 419 V HA 0.625 4.745 4.120 -0.000 0.000 0.263 419 V C -0.298 175.854 176.094 0.097 0.000 1.795 419 V CA 0.164 62.492 62.300 0.046 0.000 0.979 419 V CB 1.762 33.606 31.823 0.035 0.000 1.335 419 V HN 0.650 nan 8.190 nan 0.000 0.462 420 I N 1.974 122.617 120.570 0.120 0.000 4.922 420 I HA 0.359 4.529 4.170 -0.000 0.000 0.331 420 I C 0.296 176.450 176.117 0.062 0.000 1.260 420 I CA 0.054 61.424 61.300 0.117 0.000 1.366 420 I CB 0.759 38.826 38.000 0.112 0.000 1.386 420 I HN 0.677 nan 8.210 nan 0.000 0.483 421 N N 3.296 122.019 118.700 0.039 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 0.009 38.488 38.487 -0.013 0.000 1.478 421 N HN 0.365 nan 8.380 nan 0.000 0.543 422 T N -1.649 112.925 114.554 0.033 0.000 2.899 422 T HA 0.304 4.654 4.350 -0.000 0.000 0.295 422 T C 0.312 175.019 174.700 0.012 0.000 1.033 422 T CA -0.742 61.375 62.100 0.027 0.000 1.084 422 T CB 1.543 70.433 68.868 0.037 0.000 0.979 422 T HN 0.383 nan 8.240 nan 0.000 0.532 423 E N 0.835 121.038 120.200 0.005 0.000 2.212 423 E HA 0.414 4.764 4.350 -0.000 0.000 0.268 423 E C -1.139 175.458 176.600 -0.006 0.000 0.902 423 E CA -1.027 55.372 56.400 -0.002 0.000 0.779 423 E CB 1.343 31.041 29.700 -0.005 0.000 1.172 423 E HN 0.514 nan 8.360 nan 0.000 0.409 424 T N 3.972 118.521 114.554 -0.009 0.000 2.779 424 T HA 0.294 4.644 4.350 -0.000 0.000 0.296 424 T C 0.019 174.713 174.700 -0.010 0.000 0.938 424 T CA -0.114 61.979 62.100 -0.011 0.000 1.119 424 T CB -0.053 68.808 68.868 -0.012 0.000 0.891 424 T HN 0.316 nan 8.240 nan 0.000 0.526 425 L N 2.258 123.476 121.223 -0.008 0.000 2.283 425 L HA 0.648 4.989 4.340 -0.000 0.000 0.259 425 L C 0.241 177.117 176.870 0.010 0.000 1.027 425 L CA -1.105 53.733 54.840 -0.004 0.000 0.828 425 L CB 2.260 44.316 42.059 -0.005 0.000 1.380 425 L HN 0.465 nan 8.230 nan 0.000 0.425 426 T N 0.461 115.026 114.554 0.018 0.000 2.829 426 T HA 0.275 4.625 4.350 -0.000 0.000 0.280 426 T C -0.245 174.497 174.700 0.070 0.000 0.999 426 T CA -0.673 61.453 62.100 0.043 0.000 0.983 426 T CB 1.786 70.673 68.868 0.032 0.000 0.968 426 T HN 0.255 nan 8.240 nan 0.000 0.446 427 K N 2.168 122.647 120.400 0.132 0.000 2.469 427 K HA 0.322 4.642 4.320 -0.000 0.000 0.274 427 K C -0.710 175.946 176.600 0.094 0.000 0.983 427 K CA 0.133 56.524 56.287 0.174 0.000 0.974 427 K CB 0.471 33.150 32.500 0.298 0.000 0.913 427 K HN 0.387 nan 8.250 nan 0.000 0.493 428 V N 3.596 123.561 119.914 0.085 0.000 2.971 428 V HA 0.413 4.533 4.120 -0.000 0.000 0.309 428 V C -0.681 175.500 176.094 0.145 0.000 1.130 428 V CA -0.911 61.454 62.300 0.108 0.000 0.964 428 V CB 2.474 34.355 31.823 0.096 0.000 1.029 428 V HN 0.701 nan 8.190 nan 0.000 0.427 429 K N 4.021 124.520 120.400 0.165 0.000 2.426 429 K HA 0.616 4.936 4.320 -0.000 0.000 0.251 429 K C -2.785 173.893 176.600 0.130 0.000 0.941 429 K CA -1.711 54.651 56.287 0.125 0.000 0.808 429 K CB 2.920 35.435 32.500 0.026 0.000 1.265 429 K HN 0.386 nan 8.250 nan 0.000 0.432 430 P HA 0.165 nan 4.420 nan 0.000 0.282 430 P C -1.299 175.887 177.300 -0.190 0.000 1.287 430 P CA -0.397 62.543 63.100 -0.267 0.000 0.792 430 P CB 0.453 31.918 31.700 -0.392 0.000 1.163 431 K N -1.557 118.694 120.400 -0.249 0.000 6.365 431 K HA -0.104 4.216 4.320 -0.000 0.000 0.786 431 K C 0.118 176.657 176.600 -0.102 0.000 2.401 431 K CA 0.624 56.818 56.287 -0.154 0.000 1.752 431 K CB -2.030 30.404 32.500 -0.109 0.000 2.498 431 K HN 0.837 nan 8.250 nan 0.000 0.213 432 T N -0.338 114.164 114.554 -0.087 0.000 6.178 432 T HA -0.106 4.244 4.350 -0.000 0.000 0.277 432 T C 0.862 175.539 174.700 -0.038 0.000 2.183 432 T CA 1.270 63.341 62.100 -0.048 0.000 3.733 432 T CB -1.210 67.643 68.868 -0.025 0.000 0.719 432 T HN 0.964 nan 8.240 nan 0.000 0.455 433 G N 2.262 111.030 108.800 -0.053 0.000 3.448 433 G HA2 0.423 4.383 3.960 -0.000 0.000 0.261 433 G HA3 0.423 4.383 3.960 -0.000 0.000 0.261 433 G C 0.245 175.116 174.900 -0.048 0.000 1.173 433 G CA -0.144 44.945 45.100 -0.019 0.000 0.835 433 G HN 0.671 nan 8.290 nan 0.000 0.534 434 Q N 0.409 120.160 119.800 -0.081 0.000 2.454 434 Q HA 0.237 4.577 4.340 -0.000 0.000 0.247 434 Q C -0.510 175.467 176.000 -0.038 0.000 1.028 434 Q CA -0.140 55.614 55.803 -0.081 0.000 0.910 434 Q CB 1.158 29.840 28.738 -0.092 0.000 1.276 434 Q HN 0.271 nan 8.270 nan 0.000 0.489 435 E N 1.948 122.130 120.200 -0.029 0.000 2.417 435 E HA -0.058 4.292 4.350 -0.000 0.000 0.261 435 E C -0.661 175.910 176.600 -0.048 0.000 1.000 435 E CA -0.165 56.210 56.400 -0.041 0.000 0.919 435 E CB 0.122 29.809 29.700 -0.021 0.000 0.955 435 E HN 0.466 nan 8.360 nan 0.000 0.455 436 N N 1.555 120.186 118.700 -0.114 0.000 2.699 436 N HA -0.138 4.602 4.740 -0.000 0.000 0.257 436 N C -0.601 174.798 175.510 -0.184 0.000 1.077 436 N CA 1.105 54.051 53.050 -0.173 0.000 0.702 436 N CB -1.294 37.192 38.487 -0.002 0.000 0.886 436 N HN 0.648 nan 8.380 nan 0.000 0.549 437 G N -0.833 107.778 108.800 -0.314 0.000 2.452 437 G HA2 0.671 4.631 3.960 -0.000 0.000 0.324 437 G HA3 0.671 4.631 3.960 -0.000 0.000 0.324 437 G C -0.827 173.874 174.900 -0.330 0.000 1.214 437 G CA -0.816 44.188 45.100 -0.160 0.000 0.947 437 G HN 0.204 nan 8.290 nan 0.000 0.478 438 W N 0.289 121.587 121.300 -0.003 0.000 2.736 438 W HA 0.695 5.355 4.660 -0.000 0.000 0.335 438 W C 0.088 176.605 176.519 -0.004 0.000 1.059 438 W CA -0.885 56.458 57.345 -0.004 0.000 1.226 438 W CB 1.652 31.111 29.460 -0.001 0.000 1.416 438 W HN 0.434 nan 8.180 nan 0.000 0.505 439 E N 0.930 121.251 120.200 0.201 0.000 2.359 439 E HA 0.390 4.740 4.350 -0.000 0.000 0.266 439 E C -0.672 175.987 176.600 0.098 0.000 0.920 439 E CA -1.293 55.176 56.400 0.115 0.000 0.788 439 E CB 2.198 31.933 29.700 0.060 0.000 1.279 439 E HN 0.240 nan 8.360 nan 0.000 0.438 440 K N 1.081 121.521 120.400 0.067 0.000 2.319 440 K HA 0.041 4.361 4.320 -0.000 0.000 0.265 440 K C -0.371 176.251 176.600 0.037 0.000 1.000 440 K CA -0.013 56.306 56.287 0.053 0.000 0.943 440 K CB 0.364 32.889 32.500 0.041 0.000 0.950 440 K HN 0.353 nan 8.250 nan 0.000 0.485 441 D N 0.642 121.060 120.400 0.030 0.000 2.210 441 D HA 0.179 4.819 4.640 -0.000 0.000 0.249 441 D C 0.183 176.487 176.300 0.006 0.000 1.078 441 D CA -0.128 53.870 54.000 -0.004 0.000 0.875 441 D CB 1.769 42.540 40.800 -0.049 0.000 1.175 441 D HN 0.540 nan 8.370 nan 0.000 0.440 442 A N 2.346 125.161 122.820 -0.008 0.000 1.984 442 A HA -0.034 4.286 4.320 -0.000 0.000 0.214 442 A C 1.464 179.052 177.584 0.007 0.000 1.173 442 A CA 0.898 52.937 52.037 0.004 0.000 0.673 442 A CB -0.318 18.681 19.000 -0.001 0.000 0.830 442 A HN 0.611 nan 8.150 nan 0.000 0.453 443 T N 0.026 114.568 114.554 -0.021 0.000 3.500 443 T HA 0.231 4.581 4.350 -0.000 0.000 0.244 443 T C 0.063 174.787 174.700 0.040 0.000 0.962 443 T CA -0.273 61.819 62.100 -0.013 0.000 0.932 443 T CB -0.828 68.003 68.868 -0.061 0.000 1.096 443 T HN 0.504 nan 8.240 nan 0.000 0.617 444 E N 0.593 120.856 120.200 0.104 0.000 2.458 444 E HA 0.140 4.490 4.350 -0.000 0.000 0.264 444 E C -0.544 176.248 176.600 0.320 0.000 1.097 444 E CA -0.052 56.508 56.400 0.267 0.000 0.973 444 E CB 0.037 29.839 29.700 0.170 0.000 0.963 444 E HN 0.420 nan 8.360 nan 0.000 0.451 445 F N 0.180 120.131 119.950 0.002 0.000 2.744 445 F HA -0.226 4.301 4.527 -0.000 0.000 0.377 445 F C 0.511 176.311 175.800 -0.001 0.000 1.069 445 F CA 0.561 58.562 58.000 0.002 0.000 1.211 445 F CB -2.051 36.954 39.000 0.008 0.000 1.606 445 F HN 0.379 nan 8.300 nan 0.000 0.781 446 S N 0.391 116.124 115.700 0.055 0.000 2.599 446 S HA -0.006 4.464 4.470 -0.000 0.000 0.303 446 S C 1.353 175.976 174.600 0.039 0.000 1.267 446 S CA 0.024 58.243 58.200 0.031 0.000 1.055 446 S CB 0.776 63.967 63.200 -0.016 0.000 0.790 446 S HN 0.546 nan 8.310 nan 0.000 0.500 447 D N 1.596 122.020 120.400 0.041 0.000 2.403 447 D HA -0.116 4.524 4.640 -0.000 0.000 0.227 447 D C -0.041 176.268 176.300 0.016 0.000 0.995 447 D CA 0.740 54.763 54.000 0.038 0.000 0.928 447 D CB -0.215 40.603 40.800 0.030 0.000 0.887 447 D HN 0.672 nan 8.370 nan 0.000 0.529 448 K N 0.770 121.169 120.400 -0.002 0.000 2.530 448 K HA 0.292 4.612 4.320 -0.000 0.000 0.230 448 K C -0.885 175.693 176.600 -0.038 0.000 1.002 448 K CA -0.641 55.635 56.287 -0.018 0.000 1.014 448 K CB 0.944 33.429 32.500 -0.024 0.000 1.286 448 K HN -0.104 nan 8.250 nan 0.000 0.480 449 N N 2.033 120.712 118.700 -0.035 0.000 2.314 449 N HA 0.205 4.945 4.740 -0.000 0.000 0.294 449 N C -1.029 174.458 175.510 -0.038 0.000 1.029 449 N CA -0.733 52.284 53.050 -0.056 0.000 0.845 449 N CB 1.850 40.296 38.487 -0.068 0.000 1.321 449 N HN 0.314 nan 8.380 nan 0.000 0.481 450 E N 1.438 121.614 120.200 -0.039 0.000 2.105 450 E HA 0.420 4.770 4.350 -0.000 0.000 0.285 450 E C -0.358 176.238 176.600 -0.006 0.000 1.055 450 E CA 0.044 56.434 56.400 -0.016 0.000 0.843 450 E CB 0.674 30.370 29.700 -0.006 0.000 1.067 450 E HN 0.405 nan 8.360 nan 0.000 0.398 451 I N 2.698 123.267 120.570 -0.002 0.000 2.498 451 I HA 0.384 4.554 4.170 -0.000 0.000 0.290 451 I C -0.280 175.842 176.117 0.008 0.000 1.032 451 I CA -1.275 60.026 61.300 0.002 0.000 1.073 451 I CB 1.811 39.809 38.000 -0.003 0.000 1.251 451 I HN 0.209 nan 8.210 nan 0.000 0.426 452 R N 5.581 126.090 120.500 0.014 0.000 2.297 452 R HA 0.539 4.879 4.340 -0.000 0.000 0.308 452 R C -1.615 174.691 176.300 0.011 0.000 1.029 452 R CA -0.284 55.827 56.100 0.018 0.000 0.929 452 R CB 1.135 31.452 30.300 0.028 0.000 1.046 452 R HN 0.407 nan 8.270 nan 0.000 0.461 453 V N 5.529 125.449 119.914 0.010 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 0.011 0.000 1.021 453 V CA 0.487 62.790 62.300 0.005 0.000 0.847 453 V CB 0.419 32.241 31.823 -0.001 0.000 0.990 453 V HN 1.066 nan 8.190 nan 0.000 0.444 454 G N 5.098 113.903 108.800 0.008 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 -0.701 174.207 174.900 0.012 0.000 1.278 454 G CA -0.822 44.285 45.100 0.011 0.000 0.965 454 G HN 0.582 nan 8.290 nan 0.000 0.504 455 N N 0.959 119.667 118.700 0.014 0.000 2.424 455 N HA 0.327 5.067 4.740 -0.000 0.000 0.257 455 N C 0.838 176.372 175.510 0.040 0.000 1.250 455 N CA 0.325 53.380 53.050 0.008 0.000 0.946 455 N CB 0.292 38.775 38.487 -0.007 0.000 1.175 455 N HN 0.908 nan 8.380 nan 0.000 0.477 456 N N -0.431 118.294 118.700 0.042 0.000 2.317 456 N HA 0.065 4.805 4.740 -0.000 0.000 0.245 456 N C -0.603 175.014 175.510 0.179 0.000 1.294 456 N CA -0.284 52.830 53.050 0.105 0.000 0.924 456 N CB 0.145 38.683 38.487 0.085 0.000 1.186 456 N HN 0.403 nan 8.380 nan 0.000 0.495 457 F N -0.332 119.660 119.950 0.070 0.000 2.438 457 F HA 0.567 5.094 4.527 0.000 0.000 0.356 457 F C -0.209 175.631 175.800 0.066 0.000 1.099 457 F CA -0.876 57.156 58.000 0.054 0.000 1.185 457 F CB -0.104 38.925 39.000 0.048 0.000 1.115 457 F HN 0.720 nan 8.300 nan 0.000 0.526 458 A N 7.530 129.941 122.820 -0.682 0.000 2.475 458 A HA 0.826 5.146 4.320 -0.000 0.000 0.301 458 A C -1.237 175.915 177.584 -0.721 0.000 1.059 458 A CA -0.886 50.749 52.037 -0.670 0.000 0.710 458 A CB 1.531 20.221 19.000 -0.516 0.000 1.288 458 A HN 0.661 nan 8.150 nan 0.000 0.408 459 M N 1.339 120.625 119.600 -0.523 0.000 2.465 459 M HA 0.471 4.951 4.480 -0.000 0.000 0.316 459 M C -0.378 175.841 176.300 -0.134 0.000 1.121 459 M CA -0.216 54.904 55.300 -0.300 0.000 0.934 459 M CB 1.663 34.118 32.600 -0.242 0.000 1.692 459 M HN 0.950 nan 8.290 nan 0.000 0.444 460 E N 2.272 122.432 120.200 -0.067 0.000 2.207 460 E HA 0.781 5.131 4.350 -0.000 0.000 0.270 460 E C -1.772 174.738 176.600 -0.151 0.000 0.927 460 E CA -0.634 55.701 56.400 -0.108 0.000 0.799 460 E CB 2.573 32.226 29.700 -0.078 0.000 1.172 460 E HN 0.728 nan 8.360 nan 0.000 0.404 461 I N 3.059 123.509 120.570 -0.199 0.000 2.722 461 I HA 0.277 4.447 4.170 -0.000 0.000 0.292 461 I C -1.763 174.257 176.117 -0.162 0.000 1.267 461 I CA -0.807 60.402 61.300 -0.152 0.000 1.036 461 I CB 2.004 39.941 38.000 -0.106 0.000 1.281 461 I HN 0.484 nan 8.210 nan 0.000 0.423 462 N N 7.488 126.110 118.700 -0.130 0.000 2.602 462 N HA 0.230 4.970 4.740 -0.000 0.000 0.238 462 N C 0.690 176.167 175.510 -0.055 0.000 1.084 462 N CA -0.024 52.965 53.050 -0.103 0.000 0.952 462 N CB 0.778 39.212 38.487 -0.088 0.000 1.244 462 N HN 0.787 nan 8.380 nan 0.000 0.512 463 L N 3.350 124.539 121.223 -0.057 0.000 1.956 463 L HA -0.248 4.092 4.340 -0.000 0.000 0.216 463 L C 1.733 178.611 176.870 0.013 0.000 1.073 463 L CA 1.567 56.394 54.840 -0.022 0.000 0.762 463 L CB -0.252 41.790 42.059 -0.028 0.000 0.889 463 L HN 0.603 nan 8.230 nan 0.000 0.433 464 N N -0.860 117.844 118.700 0.006 0.000 2.149 464 N HA -0.208 4.532 4.740 -0.000 0.000 0.188 464 N C 1.758 177.321 175.510 0.089 0.000 1.019 464 N CA 1.079 54.147 53.050 0.030 0.000 0.857 464 N CB -0.148 38.336 38.487 -0.006 0.000 0.997 464 N HN 0.402 nan 8.380 nan 0.000 0.426 465 A N 1.248 124.116 122.820 0.079 0.000 1.930 465 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 465 A C 1.986 179.665 177.584 0.159 0.000 1.175 465 A CA 1.115 53.238 52.037 0.143 0.000 0.627 465 A CB -0.373 18.679 19.000 0.087 0.000 0.815 465 A HN 0.264 nan 8.150 nan 0.000 0.443 466 N N 0.085 118.841 118.700 0.094 0.000 2.058 466 N HA -0.104 4.636 4.740 -0.000 0.000 0.191 466 N C 1.794 177.377 175.510 0.122 0.000 1.037 466 N CA 1.428 54.525 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 0.124 121.432 121.223 0.141 0.000 2.042 467 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 467 L C 2.437 179.487 176.870 0.299 0.000 1.076 467 L CA 1.188 56.136 54.840 0.181 0.000 0.749 467 L CB -0.347 41.797 42.059 0.143 0.000 0.893 467 L HN 0.448 nan 8.230 nan 0.000 0.432 468 W N 0.949 122.286 121.300 0.061 0.000 2.355 468 W HA -0.279 4.381 4.660 -0.000 0.000 0.309 468 W C 2.731 179.342 176.519 0.154 0.000 1.206 468 W CA 1.207 58.599 57.345 0.079 0.000 1.284 468 W CB -0.078 29.396 29.460 0.023 0.000 1.145 468 W HN 0.094 nan 8.180 nan 0.000 0.502 469 R N 0.632 121.178 120.500 0.077 0.000 2.083 469 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 469 R C 2.099 178.388 176.300 -0.017 0.000 1.137 469 R CA 2.027 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 -0.380 118.367 118.700 0.078 0.000 2.149 470 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 470 N C 1.656 177.254 175.510 0.147 0.000 1.019 470 N CA 1.365 54.484 53.050 0.115 0.000 0.857 470 N CB -0.172 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 -0.061 4.466 4.527 -0.000 0.000 0.297 471 F C 2.116 177.872 175.800 -0.073 0.000 1.103 471 F CA 0.994 59.012 58.000 0.031 0.000 1.248 471 F CB -0.357 38.700 39.000 0.094 0.000 0.999 471 F HN -0.089 nan 8.300 nan 0.000 0.475 472 L N -1.056 120.014 121.223 -0.255 0.000 2.046 472 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 472 L C 2.386 179.124 176.870 -0.221 0.000 1.077 472 L CA 1.776 56.386 54.840 -0.383 0.000 0.747 472 L CB -1.012 40.760 42.059 -0.479 0.000 0.896 472 L HN 0.250 nan 8.230 nan 0.000 0.432 473 Y N -0.264 119.911 120.300 -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 -0.005 38.387 38.460 -0.113 0.000 0.988 473 Y HN 0.113 nan 8.280 nan 0.000 0.518 474 S N -0.022 115.643 115.700 -0.057 0.000 2.368 474 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 474 S C 1.692 176.311 174.600 0.032 0.000 1.029 474 S CA 1.708 59.876 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 0.087 118.734 118.700 -0.089 0.000 2.409 475 N HA 0.244 4.984 4.740 -0.000 0.000 0.174 475 N C 1.513 177.054 175.510 0.051 0.000 1.037 475 N CA 0.881 53.939 53.050 0.013 0.000 0.898 475 N CB 0.224 38.465 38.487 -0.410 0.000 1.010 475 N HN 0.462 nan 8.380 nan 0.000 0.445 476 I N 0.297 120.807 120.570 -0.101 0.000 3.345 476 I HA 0.120 4.290 4.170 -0.000 0.000 0.258 476 I C 2.265 178.349 176.117 -0.054 0.000 1.134 476 I CA 0.179 61.444 61.300 -0.058 0.000 1.457 476 I CB -0.316 37.612 38.000 -0.121 0.000 1.425 476 I HN -0.136 nan 8.210 nan 0.000 0.461 477 A N 1.765 124.483 122.820 -0.170 0.000 1.859 477 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 477 A C 2.234 179.622 177.584 -0.327 0.000 1.209 477 A CA 1.883 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 -2.303 118.619 121.223 -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 0.993 55.515 54.840 -0.529 0.000 0.798 478 L CB -0.359 41.320 42.059 -0.633 0.000 0.922 478 L HN 0.544 nan 8.230 nan 0.000 0.445 479 Y N -0.974 119.194 120.300 -0.219 0.000 2.457 479 Y HA 0.174 4.724 4.550 0.000 0.000 0.263 479 Y C 1.065 176.900 175.900 -0.107 0.000 1.164 479 Y CA -0.590 57.426 58.100 -0.140 0.000 1.274 479 Y CB 0.077 38.488 38.460 -0.081 0.000 1.097 479 Y HN 0.013 nan 8.280 nan 0.000 0.523 480 L N 1.687 122.890 121.223 -0.033 0.000 2.482 480 L HA 0.052 4.392 4.340 -0.000 0.000 0.273 480 L C -1.912 174.915 176.870 -0.072 0.000 1.228 480 L CA -1.748 53.060 54.840 -0.054 0.000 0.827 480 L CB 0.141 42.130 42.059 -0.118 0.000 1.099 480 L HN -0.077 nan 8.230 nan 0.000 0.494 481 P HA -0.066 nan 4.420 nan 0.000 0.266 481 P C -0.070 177.185 177.300 -0.075 0.000 1.193 481 P CA 0.075 63.148 63.100 -0.045 0.000 0.770 481 P CB 0.492 32.170 31.700 -0.036 0.000 0.836 482 D N 2.443 122.824 120.400 -0.031 0.000 2.221 482 D HA -0.191 4.449 4.640 -0.000 0.000 0.204 482 D C 1.603 177.887 176.300 -0.026 0.000 0.982 482 D CA 1.323 55.311 54.000 -0.021 0.000 0.857 482 D CB -0.027 40.814 40.800 0.068 0.000 0.934 482 D HN 0.426 nan 8.370 nan 0.000 0.475 483 K N -0.049 120.335 120.400 -0.027 0.000 2.280 483 K HA -0.105 4.215 4.320 -0.000 0.000 0.202 483 K C 1.731 178.296 176.600 -0.057 0.000 1.047 483 K CA 0.891 57.163 56.287 -0.025 0.000 0.942 483 K CB -0.274 32.217 32.500 -0.016 0.000 0.739 483 K HN 0.247 nan 8.250 nan 0.000 0.457 484 L N 0.635 121.788 121.223 -0.117 0.000 2.592 484 L HA 0.138 4.478 4.340 -0.000 0.000 0.227 484 L C 0.700 177.528 176.870 -0.071 0.000 1.127 484 L CA 0.024 54.779 54.840 -0.142 0.000 0.884 484 L CB 0.037 41.926 42.059 -0.284 0.000 1.065 484 L HN 0.118 nan 8.230 nan 0.000 0.457 485 K N -0.055 120.305 120.400 -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 1.413 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 -3.095 117.132 120.300 -0.122 0.000 2.552 486 Y HA 0.400 4.950 4.550 -0.000 0.000 0.337 486 Y C -0.905 174.923 175.900 -0.121 0.000 1.094 486 Y CA -1.189 56.850 58.100 -0.103 0.000 1.028 486 Y CB 1.017 39.423 38.460 -0.089 0.000 1.321 486 Y HN 0.322 nan 8.280 nan 0.000 0.456 487 S N 4.715 120.437 115.700 0.036 0.000 2.576 487 S HA 0.311 4.781 4.470 -0.000 0.000 0.276 487 S C -2.357 172.259 174.600 0.026 0.000 1.339 487 S CA -0.835 57.332 58.200 -0.056 0.000 1.039 487 S CB 0.278 63.473 63.200 -0.009 0.000 0.902 487 S HN 0.567 nan 8.310 nan 0.000 0.516 488 P HA 0.185 nan 4.420 nan 0.000 0.278 488 P C -0.765 176.553 177.300 0.031 0.000 1.238 488 P CA -0.539 62.560 63.100 -0.002 0.000 0.794 488 P CB 0.733 32.399 31.700 -0.056 0.000 0.955 489 S N 1.361 117.094 115.700 0.056 0.000 2.562 489 S HA 0.238 4.708 4.470 -0.000 0.000 0.275 489 S C 0.590 175.175 174.600 -0.025 0.000 1.281 489 S CA -0.565 57.647 58.200 0.021 0.000 1.045 489 S CB -0.054 63.166 63.200 0.033 0.000 0.962 489 S HN 0.552 nan 8.310 nan 0.000 0.503 490 N N -1.109 117.571 118.700 -0.033 0.000 2.800 490 N HA -0.130 4.610 4.740 -0.000 0.000 0.250 490 N C -0.947 174.531 175.510 -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 0.552 nan 8.380 nan 0.000 0.565 491 V N 0.645 120.538 119.914 -0.036 0.000 2.656 491 V HA 0.264 4.384 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 -0.965 61.318 62.300 -0.030 0.000 0.893 491 V CB 2.476 34.283 31.823 -0.026 0.000 0.999 491 V HN -0.034 nan 8.190 nan 0.000 0.426 492 K N 4.325 124.715 120.400 -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 0.059 56.340 56.287 -0.009 0.000 0.974 492 K CB 1.171 33.669 32.500 -0.003 0.000 0.962 492 K HN 0.575 nan 8.250 nan 0.000 0.474 493 I N 1.186 121.752 120.570 -0.005 0.000 2.619 493 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 1.100 493 I CA -0.504 60.794 61.300 -0.003 0.000 1.043 493 I CB 2.063 40.039 38.000 -0.040 0.000 1.239 493 I HN 0.622 nan 8.210 nan 0.000 0.420 494 S N 3.804 119.548 115.700 0.073 0.000 2.566 494 S HA -0.004 4.466 4.470 -0.000 0.000 0.280 494 S C 0.535 175.205 174.600 0.117 0.000 1.343 494 S CA 0.459 58.711 58.200 0.086 0.000 1.036 494 S CB 0.660 63.907 63.200 0.079 0.000 0.866 494 S HN 0.750 nan 8.310 nan 0.000 0.526 495 D N 1.118 121.539 120.400 0.036 0.000 2.305 495 D HA 0.106 4.746 4.640 -0.000 0.000 0.206 495 D C 0.122 176.349 176.300 -0.121 0.000 0.974 495 D CA 0.389 54.382 54.000 -0.012 0.000 0.871 495 D CB 0.014 40.807 40.800 -0.012 0.000 0.947 495 D HN 0.415 nan 8.370 nan 0.000 0.516 496 N N 1.034 119.662 118.700 -0.120 0.000 2.406 496 N HA 0.060 4.800 4.740 -0.000 0.000 0.251 496 N C -1.880 173.401 175.510 -0.383 0.000 1.069 496 N CA -1.791 51.148 53.050 -0.186 0.000 0.947 496 N CB 1.422 39.858 38.487 -0.085 0.000 1.111 496 N HN -0.060 nan 8.380 nan 0.000 0.497 497 P HA -0.009 nan 4.420 nan 0.000 0.237 497 P C -0.070 177.046 177.300 -0.307 0.000 1.178 497 P CA 0.663 63.208 63.100 -0.924 0.000 0.766 497 P CB 0.492 31.744 31.700 -0.748 0.000 0.876 498 N N -0.649 117.951 118.700 -0.166 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 -0.008 0.000 1.113 498 N CA 0.424 53.444 53.050 -0.050 0.000 0.858 498 N CB -0.033 38.431 38.487 -0.038 0.000 0.970 498 N HN 0.099 nan 8.380 nan 0.000 0.471 499 T N -0.017 114.535 114.554 -0.005 0.000 2.913 499 T HA 0.065 4.415 4.350 -0.000 0.000 0.287 499 T C 1.055 175.811 174.700 0.092 0.000 1.008 499 T CA -0.385 61.747 62.100 0.053 0.000 1.067 499 T CB 1.354 70.252 68.868 0.050 0.000 0.996 499 T HN 0.164 nan 8.240 nan 0.000 0.513 500 Y N 2.015 122.300 120.300 -0.025 0.000 2.220 500 Y HA -0.108 4.442 4.550 -0.000 0.000 0.291 500 Y C 2.235 178.089 175.900 -0.076 0.000 1.129 500 Y CA 1.967 60.030 58.100 -0.062 0.000 1.161 500 Y CB -0.154 38.255 38.460 -0.084 0.000 0.997 500 Y HN 0.826 nan 8.280 nan 0.000 0.522 501 D N -0.871 119.526 120.400 -0.005 0.000 2.133 501 D HA -0.317 4.323 4.640 -0.000 0.000 0.195 501 D C 2.032 178.225 176.300 -0.178 0.000 0.997 501 D CA 1.846 55.777 54.000 -0.114 0.000 0.840 501 D CB -0.540 40.265 40.800 0.010 0.000 0.947 501 D HN 0.537 nan 8.370 nan 0.000 0.452 502 Y N 0.338 120.523 120.300 -0.191 0.000 2.163 502 Y HA -0.111 4.439 4.550 -0.000 0.000 0.288 502 Y C 2.130 177.879 175.900 -0.252 0.000 1.136 502 Y CA 1.615 59.606 58.100 -0.182 0.000 1.147 502 Y CB -0.142 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 -0.216 119.292 119.600 -0.154 0.000 2.460 503 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 503 M C 1.524 177.525 176.300 -0.498 0.000 1.071 503 M CA 1.558 56.684 55.300 -0.290 0.000 1.096 503 M CB -0.326 32.152 32.600 -0.204 0.000 1.408 503 M HN 0.277 nan 8.290 nan 0.000 0.463 504 N N 0.743 119.055 118.700 -0.648 0.000 2.409 504 N HA -0.019 4.721 4.740 -0.000 0.000 0.174 504 N C 1.278 176.394 175.510 -0.656 0.000 1.037 504 N CA 0.911 53.510 53.050 -0.753 0.000 0.898 504 N CB 0.305 38.146 38.487 -1.076 0.000 1.010 504 N HN 0.209 nan 8.380 nan 0.000 0.445 505 K N -0.591 119.484 120.400 -0.541 0.000 2.348 505 K HA 0.202 4.522 4.320 -0.000 0.000 0.194 505 K C -0.065 176.312 176.600 -0.371 0.000 1.052 505 K CA -0.239 55.806 56.287 -0.403 0.000 1.004 505 K CB 0.500 32.818 32.500 -0.303 0.000 0.873 505 K HN -0.021 nan 8.250 nan 0.000 0.523 506 R N 1.962 122.161 120.500 -0.502 0.000 2.502 506 R HA 0.011 4.351 4.340 -0.000 0.000 0.292 506 R C -0.216 175.821 176.300 -0.438 0.000 0.998 506 R CA 0.130 55.918 56.100 -0.519 0.000 1.056 506 R CB 0.598 30.525 30.300 -0.622 0.000 0.939 506 R HN -0.034 nan 8.270 nan 0.000 0.411 507 V N 3.916 123.508 119.914 -0.537 0.000 2.539 507 V HA 0.453 4.573 4.120 -0.000 0.000 0.292 507 V C -0.518 175.233 176.094 -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 -0.663 0.000 0.993 507 V HN 0.449 nan 8.190 nan 0.000 0.464 508 V N 6.826 126.576 119.914 -0.274 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 -0.130 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 7.246 130.112 122.820 0.076 0.000 2.454 509 A HA 0.552 4.872 4.320 -0.000 0.000 0.260 509 A C -1.659 175.986 177.584 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 1.590 178.912 177.300 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 -0.758 108.062 108.800 0.033 0.000 2.586 511 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.215 511 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.215 511 G C 1.280 176.219 174.900 0.064 0.000 1.128 511 G CA 0.253 45.389 45.100 0.060 0.000 0.774 511 G HN 0.263 nan 8.290 nan 0.000 0.543 512 L N -0.363 120.890 121.223 0.050 0.000 2.240 512 L HA 0.112 4.452 4.340 -0.000 0.000 0.211 512 L C 0.591 177.503 176.870 0.070 0.000 1.106 512 L CA 0.400 55.282 54.840 0.070 0.000 0.793 512 L CB 0.342 42.424 42.059 0.038 0.000 0.927 512 L HN 0.026 nan 8.230 nan 0.000 0.446 513 V N -0.894 119.024 119.914 0.007 0.000 2.502 513 V HA 0.225 4.345 4.120 -0.000 0.000 0.261 513 V C -0.505 175.495 176.094 -0.158 0.000 0.996 513 V CA -0.605 61.668 62.300 -0.046 0.000 1.095 513 V CB 0.798 32.592 31.823 -0.050 0.000 1.325 513 V HN 0.068 nan 8.190 nan 0.000 0.574 514 D N 0.580 120.811 120.400 -0.282 0.000 2.387 514 D HA 0.155 4.795 4.640 -0.000 0.000 0.251 514 D C 1.438 177.427 176.300 -0.519 0.000 1.141 514 D CA -0.098 53.614 54.000 -0.480 0.000 0.987 514 D CB 2.271 42.587 40.800 -0.806 0.000 1.116 514 D HN 0.559 nan 8.370 nan 0.000 0.491 515 C N 0.528 119.588 119.300 -0.400 0.000 2.421 515 C HA -0.101 4.359 4.460 -0.000 0.000 0.296 515 C C 1.662 176.716 174.990 0.107 0.000 1.470 515 C CA -0.097 58.846 59.018 -0.124 0.000 1.779 515 C CB -2.313 25.515 27.740 0.147 0.000 1.715 515 C HN 0.566 nan 8.230 nan 0.000 0.564 516 Y N -1.349 119.038 120.300 0.145 0.000 2.555 516 Y HA 0.618 5.168 4.550 -0.000 0.000 0.259 516 Y C 0.559 176.515 175.900 0.094 0.000 1.179 516 Y CA -2.383 55.788 58.100 0.119 0.000 1.230 516 Y CB -1.140 37.363 38.460 0.073 0.000 1.146 516 Y HN 0.152 nan 8.280 nan 0.000 0.526 517 I N 3.020 123.638 120.570 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 0.158 61.532 61.300 0.124 0.000 1.402 517 I CB -0.152 37.878 38.000 0.050 0.000 1.399 517 I HN 0.426 nan 8.210 nan 0.000 0.535 518 N N 5.587 124.356 118.700 0.115 0.000 2.698 518 N HA -0.236 4.504 4.740 -0.000 0.000 0.258 518 N C -0.321 175.238 175.510 0.082 0.000 0.978 518 N CA 0.561 53.645 53.050 0.058 0.000 0.777 518 N CB -0.868 37.655 38.487 0.060 0.000 0.907 518 N HN 0.592 nan 8.380 nan 0.000 0.543 519 L N 0.079 121.357 121.223 0.093 0.000 2.578 519 L HA 0.030 4.370 4.340 -0.000 0.000 0.279 519 L C 1.662 178.565 176.870 0.055 0.000 1.227 519 L CA 1.222 56.121 54.840 0.099 0.000 0.900 519 L CB 0.171 42.289 42.059 0.099 0.000 1.144 519 L HN 0.623 nan 8.230 nan 0.000 0.496 520 G N 2.495 111.332 108.800 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 0.096 175.024 174.900 0.047 0.000 0.981 520 G CA 0.112 45.239 45.100 0.045 0.000 0.670 520 G HN 1.016 nan 8.290 nan 0.000 0.528 521 A N -0.723 122.137 122.820 0.067 0.000 2.354 521 A HA 0.910 5.230 4.320 -0.000 0.000 0.321 521 A C 0.190 177.860 177.584 0.143 0.000 1.125 521 A CA -0.180 51.907 52.037 0.083 0.000 0.799 521 A CB 1.134 20.159 19.000 0.042 0.000 1.293 521 A HN 0.763 nan 8.150 nan 0.000 0.452 522 R N 1.466 122.066 120.500 0.168 0.000 2.287 522 R HA 0.370 4.710 4.340 -0.000 0.000 0.316 522 R C -1.626 174.845 176.300 0.285 0.000 1.050 522 R CA -0.197 56.006 56.100 0.171 0.000 0.983 522 R CB 0.532 30.897 30.300 0.108 0.000 1.140 522 R HN 0.767 nan 8.270 nan 0.000 0.528 523 W N 4.190 125.499 121.300 0.015 0.000 3.259 523 W HA 0.222 4.882 4.660 -0.000 0.000 0.331 523 W C -1.277 175.238 176.519 -0.008 0.000 1.144 523 W CA -0.613 56.732 57.345 -0.000 0.000 1.227 523 W CB 2.144 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 -0.451 0.000 2.537 524 S HA 0.510 4.980 4.470 -0.000 0.000 0.275 524 S C -0.125 174.228 174.600 -0.411 0.000 1.272 524 S CA -0.670 57.315 58.200 -0.358 0.000 1.050 524 S CB 1.438 64.398 63.200 -0.399 0.000 0.961 524 S HN 0.428 nan 8.310 nan 0.000 0.496 525 L N 2.994 124.157 121.223 -0.100 0.000 2.499 525 L HA 0.061 4.401 4.340 -0.000 0.000 0.273 525 L C 1.090 177.921 176.870 -0.065 0.000 1.195 525 L CA -0.372 54.486 54.840 0.030 0.000 0.882 525 L CB 0.095 42.224 42.059 0.116 0.000 1.133 525 L HN 0.738 nan 8.230 nan 0.000 0.483 526 D N 1.890 122.262 120.400 -0.046 0.000 2.190 526 D HA -0.217 4.423 4.640 -0.000 0.000 0.200 526 D C 1.747 178.017 176.300 -0.050 0.000 0.992 526 D CA 1.702 55.643 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 0.510 nan 8.370 nan 0.000 0.462 527 Y N -0.179 120.150 120.300 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 0.022 0.000 1.137 527 Y CA 0.673 58.798 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 -0.822 118.862 119.600 0.139 0.000 2.509 528 M HA -0.022 4.458 4.480 -0.000 0.000 0.250 528 M C 1.011 177.305 176.300 -0.011 0.000 1.132 528 M CA 0.540 55.865 55.300 0.043 0.000 1.080 528 M CB -0.620 31.967 32.600 -0.020 0.000 1.408 528 M HN 0.137 nan 8.290 nan 0.000 0.484 529 D N 1.685 122.063 120.400 -0.036 0.000 2.133 529 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 529 D C 1.077 177.478 176.300 0.167 0.000 0.997 529 D CA 1.235 55.184 54.000 -0.085 0.000 0.840 529 D CB -0.190 40.510 40.800 -0.167 0.000 0.947 529 D HN 0.304 nan 8.370 nan 0.000 0.452 530 N N -0.153 118.692 118.700 0.240 0.000 2.313 530 N HA 0.044 4.784 4.740 -0.000 0.000 0.207 530 N C -0.579 175.145 175.510 0.356 0.000 1.141 530 N CA 0.003 53.258 53.050 0.341 0.000 0.830 530 N CB 0.943 39.565 38.487 0.225 0.000 1.008 530 N HN -0.003 nan 8.380 nan 0.000 0.481 531 V N 1.540 121.574 119.914 0.200 0.000 2.439 531 V HA 0.137 4.257 4.120 -0.000 0.000 0.282 531 V C 0.578 176.555 176.094 -0.195 0.000 1.039 531 V CA -1.173 61.177 62.300 0.083 0.000 0.913 531 V CB 1.431 33.280 31.823 0.042 0.000 0.983 531 V HN 0.194 nan 8.190 nan 0.000 0.460 532 N N 7.812 126.289 118.700 -0.372 0.000 2.386 532 N HA 0.007 4.747 4.740 -0.000 0.000 0.273 532 N C -1.157 174.076 175.510 -0.461 0.000 1.331 532 N CA -1.048 51.469 53.050 -0.888 0.000 0.891 532 N CB 1.303 39.638 38.487 -0.254 0.000 1.139 532 N HN 0.405 nan 8.380 nan 0.000 0.487 533 P HA -0.063 nan 4.420 nan 0.000 0.229 533 P C 0.846 177.848 177.300 -0.497 0.000 1.160 533 P CA 0.911 63.628 63.100 -0.639 0.000 0.777 533 P CB 0.016 31.076 31.700 -1.067 0.000 0.814 534 F N 0.208 120.134 119.950 -0.040 0.000 2.512 534 F HA 0.072 4.599 4.527 -0.000 0.000 0.296 534 F C 1.193 177.044 175.800 0.085 0.000 1.110 534 F CA 0.291 58.340 58.000 0.082 0.000 1.446 534 F CB -0.993 38.072 39.000 0.109 0.000 1.092 534 F HN -0.154 nan 8.300 nan 0.000 0.554 535 N N 1.240 120.066 118.700 0.211 0.000 2.895 535 N HA -0.009 4.731 4.740 -0.000 0.000 0.277 535 N C -0.660 174.978 175.510 0.213 0.000 1.185 535 N CA 0.374 53.553 53.050 0.214 0.000 1.106 535 N CB -0.572 38.047 38.487 0.220 0.000 1.422 535 N HN 0.277 nan 8.380 nan 0.000 0.521 536 H N 0.589 119.688 119.070 0.048 0.000 3.012 536 H HA 0.063 4.619 4.556 -0.000 0.000 0.367 536 H C 0.827 176.199 175.328 0.072 0.000 1.211 536 H CA -0.392 55.582 56.048 -0.124 0.000 1.139 536 H CB 1.250 30.739 29.762 -0.455 0.000 1.838 536 H HN 0.450 nan 8.280 nan 0.000 0.550 537 H N 2.587 121.698 119.070 0.069 0.000 2.559 537 H HA 0.081 4.637 4.556 0.000 0.000 0.273 537 H C 0.365 175.889 175.328 0.326 0.000 1.000 537 H CA 0.336 56.575 56.048 0.318 0.000 1.195 537 H CB 0.265 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 1.088 121.615 120.500 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 55.904 56.100 -0.038 0.000 1.081 538 R CB -0.065 30.126 30.300 -0.181 0.000 1.215 538 R HN 0.386 nan 8.270 nan 0.000 0.546 539 N N 0.708 119.440 118.700 0.054 0.000 2.415 539 N HA 0.061 4.801 4.740 -0.000 0.000 0.250 539 N C 1.028 176.558 175.510 0.034 0.000 1.127 539 N CA -0.242 52.851 53.050 0.071 0.000 0.945 539 N CB 1.033 39.604 38.487 0.140 0.000 1.196 539 N HN 0.083 nan 8.380 nan 0.000 0.499 540 A N 3.664 126.514 122.820 0.050 0.000 1.908 540 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 540 A C 2.028 179.660 177.584 0.080 0.000 1.181 540 A CA 1.863 53.950 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 -0.117 108.714 108.800 0.050 0.000 2.459 541 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 541 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 541 G C 1.493 176.348 174.900 -0.076 0.000 1.183 541 G CA 1.277 46.312 45.100 -0.108 0.000 0.776 541 G HN 0.585 nan 8.290 nan 0.000 0.552 542 L N 0.714 121.929 121.223 -0.015 0.000 2.046 542 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 542 L C 2.674 179.498 176.870 -0.078 0.000 1.077 542 L CA 2.276 57.112 54.840 -0.008 0.000 0.747 542 L CB -0.761 41.331 42.059 0.055 0.000 0.896 542 L HN 0.260 nan 8.230 nan 0.000 0.432 543 R N -1.848 118.531 120.500 -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 2.058 57.873 56.100 -0.474 0.000 0.959 543 R CB -0.663 29.328 30.300 -0.516 0.000 0.856 543 R HN 0.576 nan 8.270 nan 0.000 0.437 544 Y N 0.668 120.870 120.300 -0.163 0.000 2.163 544 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 544 Y C 2.138 177.982 175.900 -0.094 0.000 1.136 544 Y CA 1.761 59.797 58.100 -0.105 0.000 1.147 544 Y CB -0.017 38.333 38.460 -0.183 0.000 0.987 544 Y HN -0.038 nan 8.280 nan 0.000 0.509 545 R N -0.529 119.938 120.500 -0.056 0.000 2.148 545 R HA -0.132 4.208 4.340 -0.000 0.000 0.227 545 R C 2.746 179.007 176.300 -0.065 0.000 1.103 545 R CA 1.207 57.252 56.100 -0.091 0.000 0.983 545 R CB -0.438 29.844 30.300 -0.030 0.000 0.874 545 R HN 0.297 nan 8.270 nan 0.000 0.451 546 S N 0.160 115.852 115.700 -0.014 0.000 2.357 546 S HA -0.084 4.386 4.470 -0.000 0.000 0.221 546 S C 1.805 176.460 174.600 0.090 0.000 1.031 546 S CA 1.035 59.292 58.200 0.095 0.000 0.982 546 S CB 0.054 63.434 63.200 0.299 0.000 0.853 546 S HN 0.215 nan 8.310 nan 0.000 0.458 547 M N 0.491 120.106 119.600 0.024 0.000 2.492 547 M HA 0.073 4.553 4.480 -0.000 0.000 0.262 547 M C 1.732 177.980 176.300 -0.087 0.000 1.090 547 M CA 0.399 55.708 55.300 0.015 0.000 1.110 547 M CB -0.196 32.408 32.600 0.008 0.000 1.407 547 M HN 0.284 nan 8.290 nan 0.000 0.470 548 L N 0.399 121.497 121.223 -0.208 0.000 2.141 548 L HA -0.095 4.245 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 1.736 56.444 54.840 -0.220 0.000 0.763 548 L CB -0.381 41.492 42.059 -0.310 0.000 0.908 548 L HN 0.284 nan 8.230 nan 0.000 0.437 549 L N -1.888 119.336 121.223 0.001 0.000 2.209 549 L HA 0.304 4.644 4.340 -0.000 0.000 0.207 549 L C 1.094 177.995 176.870 0.052 0.000 1.094 549 L CA 0.455 55.328 54.840 0.054 0.000 0.790 549 L CB -0.325 41.748 42.059 0.024 0.000 0.932 549 L HN 0.410 nan 8.230 nan 0.000 0.447 550 G N -0.055 108.779 108.800 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 -0.631 174.369 174.900 0.166 0.000 1.294 550 G CA -0.044 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 -0.044 118.768 118.700 0.186 0.000 2.187 551 N HA 0.340 5.080 4.740 -0.000 0.000 0.212 551 N C 0.715 176.428 175.510 0.338 0.000 1.152 551 N CA 0.761 53.973 53.050 0.270 0.000 0.872 551 N CB 1.153 39.735 38.487 0.159 0.000 1.025 551 N HN 1.069 nan 8.380 nan 0.000 0.514 552 G N 0.194 109.154 108.800 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 0.419 175.372 174.900 0.087 0.000 1.189 552 G CA -0.789 44.437 45.100 0.209 0.000 0.962 552 G HN 0.137 nan 8.290 nan 0.000 0.486 553 R N -0.766 119.711 120.500 -0.038 0.000 2.075 553 R HA -0.008 4.332 4.340 -0.000 0.000 0.232 553 R C -0.253 175.779 176.300 -0.447 0.000 1.126 553 R CA 0.829 56.730 56.100 -0.333 0.000 0.963 553 R CB -0.240 29.740 30.300 -0.534 0.000 0.858 553 R HN 0.457 nan 8.270 nan 0.000 0.435 554 Y N 0.635 120.928 120.300 -0.013 0.000 2.383 554 Y HA 0.366 4.916 4.550 -0.000 0.000 0.344 554 Y C -0.591 175.309 175.900 -0.001 0.000 0.986 554 Y CA -0.777 57.315 58.100 -0.013 0.000 1.175 554 Y CB 1.730 40.193 38.460 0.004 0.000 1.152 554 Y HN -0.243 nan 8.280 nan 0.000 0.511 555 V N 6.126 126.125 119.914 0.143 0.000 2.524 555 V HA 0.384 4.504 4.120 -0.000 0.000 0.297 555 V C -2.495 173.709 176.094 0.184 0.000 1.035 555 V CA -2.015 60.365 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 0.370 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 -0.172 62.953 63.100 0.042 0.000 0.787 556 P CB 0.664 32.364 31.700 0.001 0.000 0.903 557 F N 1.193 121.220 119.950 0.127 0.000 2.483 557 F HA 0.650 5.177 4.527 -0.000 0.000 0.329 557 F C -0.377 175.532 175.800 0.181 0.000 1.064 557 F CA -1.164 56.943 58.000 0.177 0.000 0.986 557 F CB 1.429 40.604 39.000 0.292 0.000 1.218 557 F HN 0.403 nan 8.300 nan 0.000 0.484 558 H N 3.874 123.086 119.070 0.237 0.000 3.181 558 H HA 0.582 5.138 4.556 -0.000 0.000 0.331 558 H C -1.478 173.915 175.328 0.108 0.000 0.988 558 H CA -0.915 55.192 56.048 0.098 0.000 1.449 558 H CB 1.425 31.203 29.762 0.026 0.000 1.749 558 H HN 0.894 nan 8.280 nan 0.000 0.501 559 I N 0.954 121.644 120.570 0.201 0.000 3.145 559 I HA 0.534 4.704 4.170 -0.000 0.000 0.313 559 I C -1.557 174.475 176.117 -0.140 0.000 1.122 559 I CA -1.273 59.974 61.300 -0.090 0.000 0.987 559 I CB 2.680 40.464 38.000 -0.360 0.000 1.236 559 I HN 0.390 nan 8.210 nan 0.000 0.453 560 Q N 2.388 122.066 119.800 -0.203 0.000 2.333 560 Q HA 0.628 4.968 4.340 -0.000 0.000 0.268 560 Q C -1.218 174.838 176.000 0.093 0.000 1.007 560 Q CA -0.546 55.191 55.803 -0.109 0.000 0.810 560 Q CB 2.537 30.944 28.738 -0.551 0.000 1.264 560 Q HN 0.548 nan 8.270 nan 0.000 0.452 561 V N 4.855 124.875 119.914 0.177 0.000 2.417 561 V HA 0.576 4.696 4.120 -0.000 0.000 0.291 561 V C -2.137 174.076 176.094 0.199 0.000 1.024 561 V CA -1.832 60.574 62.300 0.176 0.000 0.861 561 V CB 1.558 33.432 31.823 0.085 0.000 0.985 561 V HN 0.710 nan 8.190 nan 0.000 0.436 562 P HA 0.268 nan 4.420 nan 0.000 0.279 562 P C -1.247 175.894 177.300 -0.264 0.000 1.252 562 P CA -0.615 62.253 63.100 -0.387 0.000 0.811 562 P CB 1.325 32.448 31.700 -0.961 0.000 1.035 563 Q N 1.377 121.006 119.800 -0.284 0.000 2.274 563 Q HA 0.187 4.527 4.340 -0.000 0.000 0.256 563 Q C 0.317 176.176 176.000 -0.235 0.000 0.927 563 Q CA 0.454 56.119 55.803 -0.229 0.000 0.939 563 Q CB 0.867 29.473 28.738 -0.221 0.000 1.201 563 Q HN 0.296 nan 8.270 nan 0.000 0.426 564 K N 3.411 123.705 120.400 -0.175 0.000 2.380 564 K HA 0.152 4.472 4.320 -0.000 0.000 0.198 564 K C -0.330 176.194 176.600 -0.127 0.000 1.070 564 K CA -0.268 55.817 56.287 -0.336 0.000 1.040 564 K CB 0.421 32.508 32.500 -0.688 0.000 0.903 564 K HN 0.478 nan 8.250 nan 0.000 0.549 565 F N 2.844 122.720 119.950 -0.123 0.000 2.590 565 F HA -0.078 4.449 4.527 -0.000 0.000 0.389 565 F C 1.110 176.898 175.800 -0.021 0.000 1.049 565 F CA -1.127 56.885 58.000 0.021 0.000 1.199 565 F CB 0.198 39.343 39.000 0.241 0.000 1.058 565 F HN 0.057 nan 8.300 nan 0.000 0.556 566 F N 4.296 123.924 119.950 -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 -0.408 0.000 1.089 566 F CA 1.333 59.103 58.000 -0.383 0.000 1.282 566 F CB -1.210 37.623 39.000 -0.279 0.000 1.010 566 F HN 0.391 nan 8.300 nan 0.000 0.485 567 A N 1.196 123.071 122.820 -1.575 0.000 2.067 567 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 567 A C 2.103 179.381 177.584 -0.509 0.000 1.158 567 A CA 1.634 53.106 52.037 -0.942 0.000 0.661 567 A CB -1.115 17.458 19.000 -0.712 0.000 0.801 567 A HN 0.795 nan 8.150 nan 0.000 0.452 568 I N -4.737 115.621 120.570 -0.353 0.000 4.526 568 I HA 0.216 4.386 4.170 -0.000 0.000 0.330 568 I C 1.621 177.538 176.117 -0.332 0.000 1.323 568 I CA 0.547 61.670 61.300 -0.295 0.000 1.218 568 I CB 0.000 37.956 38.000 -0.074 0.000 1.233 568 I HN 0.140 nan 8.210 nan 0.000 0.430 569 K N 1.976 122.197 120.400 -0.299 0.000 2.152 569 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 569 K C 0.563 177.021 176.600 -0.236 0.000 1.048 569 K CA 1.925 58.078 56.287 -0.223 0.000 0.933 569 K CB -0.176 32.245 32.500 -0.131 0.000 0.721 569 K HN 0.410 nan 8.250 nan 0.000 0.447 570 N N 0.811 119.289 118.700 -0.369 0.000 2.238 570 N HA 0.070 4.810 4.740 -0.000 0.000 0.235 570 N C -0.630 174.748 175.510 -0.219 0.000 1.209 570 N CA -0.315 52.605 53.050 -0.217 0.000 0.879 570 N CB 0.573 39.031 38.487 -0.048 0.000 1.136 570 N HN 0.115 nan 8.380 nan 0.000 0.517 571 L N 1.621 122.611 121.223 -0.389 0.000 2.453 571 L HA 0.202 4.542 4.340 -0.000 0.000 0.272 571 L C -0.203 176.621 176.870 -0.077 0.000 1.182 571 L CA -0.223 54.504 54.840 -0.188 0.000 0.858 571 L CB 0.512 42.411 42.059 -0.267 0.000 1.120 571 L HN -0.023 nan 8.230 nan 0.000 0.474 572 L N 5.876 127.113 121.223 0.024 0.000 2.259 572 L HA 0.422 4.762 4.340 -0.000 0.000 0.288 572 L C -0.838 176.004 176.870 -0.047 0.000 1.051 572 L CA 0.086 54.918 54.840 -0.014 0.000 0.824 572 L CB 0.609 42.683 42.059 0.026 0.000 1.206 572 L HN 0.592 nan 8.230 nan 0.000 0.429 573 L N 5.719 126.875 121.223 -0.112 0.000 2.290 573 L HA 0.390 4.730 4.340 -0.000 0.000 0.284 573 L C -0.057 176.799 176.870 -0.024 0.000 1.078 573 L CA 0.225 54.969 54.840 -0.161 0.000 0.815 573 L CB 1.000 42.852 42.059 -0.346 0.000 1.162 573 L HN 0.556 nan 8.230 nan 0.000 0.435 574 L N 4.537 125.784 121.223 0.041 0.000 2.469 574 L HA 0.452 4.792 4.340 -0.000 0.000 0.253 574 L C -2.006 175.001 176.870 0.227 0.000 1.143 574 L CA -2.106 52.805 54.840 0.119 0.000 0.804 574 L CB 0.098 42.212 42.059 0.092 0.000 1.214 574 L HN 0.367 nan 8.230 nan 0.000 0.476 575 P HA 0.153 nan 4.420 nan 0.000 0.265 575 P C -0.170 177.217 177.300 0.145 0.000 1.187 575 P CA 0.482 63.680 63.100 0.163 0.000 0.766 575 P CB 0.512 32.264 31.700 0.086 0.000 0.820 576 G N 0.635 109.476 108.800 0.069 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 -1.451 173.237 174.900 -0.353 0.000 1.329 576 G CA -0.608 44.373 45.100 -0.199 0.000 0.935 576 G HN 0.341 nan 8.290 nan 0.000 0.590 577 S N -0.228 115.148 115.700 -0.540 0.000 2.454 577 S HA 0.804 5.274 4.470 -0.000 0.000 0.306 577 S C -1.300 172.943 174.600 -0.596 0.000 1.100 577 S CA -0.346 57.636 58.200 -0.365 0.000 1.087 577 S CB 0.832 63.941 63.200 -0.152 0.000 1.019 577 S HN 0.491 nan 8.310 nan 0.000 0.480 578 Y N 0.341 120.645 120.300 0.007 0.000 2.499 578 Y HA 0.500 5.050 4.550 -0.000 0.000 0.347 578 Y C 0.631 176.564 175.900 0.055 0.000 0.987 578 Y CA -0.999 57.112 58.100 0.019 0.000 1.044 578 Y CB 1.458 39.910 38.460 -0.013 0.000 1.245 578 Y HN 0.442 nan 8.280 nan 0.000 0.461 579 T N 2.646 117.341 114.554 0.236 0.000 2.743 579 T HA 0.295 4.645 4.350 -0.000 0.000 0.293 579 T C -1.511 173.395 174.700 0.343 0.000 0.945 579 T CA -0.200 62.034 62.100 0.224 0.000 1.030 579 T CB -0.294 68.662 68.868 0.146 0.000 0.912 579 T HN 0.635 nan 8.240 nan 0.000 0.483 580 Y N 4.441 124.876 120.300 0.225 0.000 2.345 580 Y HA 0.499 5.049 4.550 0.000 0.000 0.331 580 Y C -0.198 175.950 175.900 0.415 0.000 0.959 580 Y CA -0.898 57.382 58.100 0.300 0.000 1.204 580 Y CB 0.803 39.412 38.460 0.248 0.000 1.135 580 Y HN 0.689 nan 8.280 nan 0.000 0.477 581 E N 6.688 127.111 120.200 0.371 0.000 2.293 581 E HA 0.251 4.601 4.350 -0.000 0.000 0.270 581 E C -1.988 174.688 176.600 0.128 0.000 0.879 581 E CA -0.607 55.902 56.400 0.181 0.000 0.756 581 E CB 1.854 31.588 29.700 0.056 0.000 1.208 581 E HN 0.724 nan 8.360 nan 0.000 0.428 582 W N 2.654 123.851 121.300 -0.173 0.000 3.118 582 W HA 0.398 5.058 4.660 -0.000 0.000 0.328 582 W C -1.198 175.120 176.519 -0.335 0.000 1.239 582 W CA -0.621 56.521 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 0.526 nan 8.180 nan 0.000 0.562 583 N N 2.036 120.494 118.700 -0.404 0.000 2.361 583 N HA 0.503 5.243 4.740 -0.000 0.000 0.302 583 N C -1.536 173.916 175.510 -0.097 0.000 1.074 583 N CA -0.245 52.729 53.050 -0.126 0.000 0.850 583 N CB 1.784 40.133 38.487 -0.230 0.000 1.228 583 N HN 0.041 nan 8.380 nan 0.000 0.491 584 F N 0.508 120.641 119.950 0.305 0.000 2.532 584 F HA 0.471 4.998 4.527 -0.000 0.000 0.321 584 F C 0.986 177.004 175.800 0.364 0.000 1.089 584 F CA -0.872 57.258 58.000 0.217 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 1.594 122.284 120.500 0.317 0.000 2.531 585 R HA 0.368 4.708 4.340 -0.000 0.000 0.273 585 R C 0.355 176.933 176.300 0.464 0.000 1.070 585 R CA -0.503 55.763 56.100 0.277 0.000 1.112 585 R CB 1.154 31.425 30.300 -0.048 0.000 1.049 585 R HN 0.701 nan 8.270 nan 0.000 0.508 586 K N 0.435 121.074 120.400 0.398 0.000 2.402 586 K HA 0.020 4.340 4.320 -0.000 0.000 0.203 586 K C -0.338 176.382 176.600 0.199 0.000 1.077 586 K CA -0.105 56.340 56.287 0.263 0.000 1.051 586 K CB 0.514 33.144 32.500 0.217 0.000 0.907 586 K HN 0.475 nan 8.250 nan 0.000 0.554 587 D N 2.094 122.657 120.400 0.271 0.000 2.363 587 D HA -0.044 4.596 4.640 -0.000 0.000 0.263 587 D C 1.375 177.786 176.300 0.185 0.000 1.258 587 D CA -0.081 54.091 54.000 0.286 0.000 0.907 587 D CB 1.222 42.251 40.800 0.381 0.000 1.107 587 D HN -0.046 nan 8.370 nan 0.000 0.495 588 V N 2.301 122.292 119.914 0.128 0.000 2.568 588 V HA -0.210 3.910 4.120 -0.000 0.000 0.253 588 V C 1.585 177.716 176.094 0.062 0.000 1.072 588 V CA 1.353 63.687 62.300 0.057 0.000 1.084 588 V CB -0.602 31.221 31.823 0.001 0.000 0.676 588 V HN 0.395 nan 8.190 nan 0.000 0.469 589 N N -0.297 118.470 118.700 0.112 0.000 2.459 589 N HA 0.063 4.803 4.740 -0.000 0.000 0.181 589 N C 1.526 177.175 175.510 0.231 0.000 1.046 589 N CA 1.296 54.418 53.050 0.119 0.000 0.904 589 N CB -0.034 38.526 38.487 0.122 0.000 0.964 589 N HN 0.458 nan 8.380 nan 0.000 0.444 590 M N -0.626 119.092 119.600 0.198 0.000 2.718 590 M HA 0.096 4.576 4.480 -0.000 0.000 0.259 590 M C 2.054 178.445 176.300 0.150 0.000 1.240 590 M CA 0.645 56.043 55.300 0.163 0.000 1.210 590 M CB -0.814 31.837 32.600 0.085 0.000 1.281 590 M HN 0.005 nan 8.290 nan 0.000 0.515 591 V N -1.491 118.521 119.914 0.163 0.000 2.951 591 V HA 0.159 4.279 4.120 -0.000 0.000 0.255 591 V C 1.047 177.256 176.094 0.190 0.000 1.088 591 V CA 0.456 62.897 62.300 0.235 0.000 1.109 591 V CB -0.500 31.510 31.823 0.311 0.000 0.724 591 V HN 0.188 nan 8.190 nan 0.000 0.471 592 L N 0.852 122.102 121.223 0.046 0.000 2.334 592 L HA 0.641 4.981 4.340 -0.000 0.000 0.270 592 L C -0.377 176.473 176.870 -0.034 0.000 1.018 592 L CA -0.395 54.399 54.840 -0.077 0.000 0.811 592 L CB 1.778 43.730 42.059 -0.179 0.000 1.271 592 L HN 0.267 nan 8.230 nan 0.000 0.443 593 Q N 1.065 120.832 119.800 -0.055 0.000 2.331 593 Q HA 0.525 4.865 4.340 -0.000 0.000 0.272 593 Q C -1.475 174.511 176.000 -0.024 0.000 1.062 593 Q CA -0.538 55.245 55.803 -0.032 0.000 0.806 593 Q CB 2.586 31.333 28.738 0.015 0.000 1.312 593 Q HN 0.771 nan 8.270 nan 0.000 0.431 594 S N 0.599 116.279 115.700 -0.033 0.000 2.600 594 S HA 0.403 4.873 4.470 -0.000 0.000 0.300 594 S C 0.566 175.207 174.600 0.069 0.000 1.087 594 S CA -0.079 58.135 58.200 0.023 0.000 0.965 594 S CB 1.701 64.890 63.200 -0.019 0.000 1.089 594 S HN 0.719 nan 8.310 nan 0.000 0.496 595 S N 0.972 116.763 115.700 0.152 0.000 2.436 595 S HA 0.010 4.480 4.470 -0.000 0.000 0.228 595 S C 1.361 176.071 174.600 0.184 0.000 1.014 595 S CA 0.248 58.571 58.200 0.206 0.000 0.950 595 S CB -0.541 62.852 63.200 0.323 0.000 0.784 595 S HN 0.495 nan 8.310 nan 0.000 0.504 596 L N 1.515 122.812 121.223 0.123 0.000 2.375 596 L HA 0.390 4.730 4.340 -0.000 0.000 0.215 596 L C 1.936 178.842 176.870 0.061 0.000 1.108 596 L CA 1.161 56.057 54.840 0.094 0.000 0.830 596 L CB -1.284 40.817 42.059 0.069 0.000 0.959 596 L HN 0.591 nan 8.230 nan 0.000 0.457 597 G N 0.134 108.925 108.800 -0.015 0.000 2.143 597 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.248 597 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.248 597 G C 0.390 175.214 174.900 -0.126 0.000 0.991 597 G CA 0.461 45.458 45.100 -0.172 0.000 0.689 597 G HN 0.553 nan 8.290 nan 0.000 0.522 598 N N 0.504 119.181 118.700 -0.038 0.000 2.371 598 N HA 0.240 4.980 4.740 -0.000 0.000 0.243 598 N C -0.382 175.094 175.510 -0.057 0.000 1.287 598 N CA -0.055 52.991 53.050 -0.006 0.000 0.911 598 N CB 0.609 39.133 38.487 0.062 0.000 1.142 598 N HN 0.115 nan 8.380 nan 0.000 0.451 599 D N 0.585 120.964 120.400 -0.034 0.000 2.348 599 D HA 0.069 4.709 4.640 -0.000 0.000 0.259 599 D C 1.036 177.316 176.300 -0.034 0.000 1.296 599 D CA -0.204 53.766 54.000 -0.049 0.000 0.931 599 D CB 0.021 40.805 40.800 -0.026 0.000 1.067 599 D HN 0.481 nan 8.370 nan 0.000 0.503 600 L N 3.732 124.925 121.223 -0.050 0.000 2.362 600 L HA -0.066 4.274 4.340 -0.000 0.000 0.219 600 L C 2.404 179.266 176.870 -0.013 0.000 1.134 600 L CA 0.449 55.265 54.840 -0.040 0.000 0.807 600 L CB -0.113 41.911 42.059 -0.059 0.000 0.927 600 L HN 0.303 nan 8.230 nan 0.000 0.447 601 R N -0.620 119.887 120.500 0.012 0.000 2.090 601 R HA -0.057 4.283 4.340 -0.000 0.000 0.228 601 R C 2.176 178.493 176.300 0.028 0.000 1.110 601 R CA 0.971 57.097 56.100 0.042 0.000 0.973 601 R CB -0.447 29.905 30.300 0.087 0.000 0.869 601 R HN 0.203 nan 8.270 nan 0.000 0.440 602 V N 1.556 121.481 119.914 0.019 0.000 2.535 602 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 602 V C 0.804 176.904 176.094 0.009 0.000 1.045 602 V CA 1.459 63.769 62.300 0.016 0.000 1.058 602 V CB -0.195 31.637 31.823 0.014 0.000 0.689 602 V HN 0.165 nan 8.190 nan 0.000 0.461 603 D N 0.508 120.909 120.400 0.000 0.000 2.519 603 D HA 0.230 4.870 4.640 -0.000 0.000 0.238 603 D C 1.613 177.896 176.300 -0.029 0.000 1.192 603 D CA 0.874 54.868 54.000 -0.010 0.000 0.835 603 D CB -0.083 40.709 40.800 -0.012 0.000 0.975 603 D HN 0.456 nan 8.370 nan 0.000 0.490 604 G N 0.611 109.402 108.800 -0.016 0.000 2.166 604 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 604 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 604 G C 0.645 175.525 174.900 -0.033 0.000 0.986 604 G CA 0.305 45.394 45.100 -0.018 0.000 0.683 604 G HN 0.617 nan 8.290 nan 0.000 0.527 605 A N -0.544 122.247 122.820 -0.048 0.000 2.462 605 A HA 0.741 5.061 4.320 -0.000 0.000 0.243 605 A C 0.658 178.212 177.584 -0.049 0.000 1.076 605 A CA 1.108 53.101 52.037 -0.073 0.000 0.773 605 A CB 0.896 19.841 19.000 -0.092 0.000 1.010 605 A HN 1.646 nan 8.150 nan 0.000 0.493 606 S N 0.928 116.594 115.700 -0.056 0.000 2.546 606 S HA 0.720 5.190 4.470 -0.000 0.000 0.274 606 S C -1.142 173.427 174.600 -0.051 0.000 1.121 606 S CA -0.519 57.659 58.200 -0.037 0.000 0.887 606 S CB 0.916 64.111 63.200 -0.008 0.000 1.094 606 S HN 1.006 nan 8.310 nan 0.000 0.474 607 I N 2.843 123.370 120.570 -0.071 0.000 2.722 607 I HA 0.604 4.774 4.170 -0.000 0.000 0.295 607 I C -1.566 174.432 176.117 -0.200 0.000 1.161 607 I CA -0.566 60.673 61.300 -0.101 0.000 1.032 607 I CB 1.892 39.794 38.000 -0.163 0.000 1.244 607 I HN 0.733 nan 8.210 nan 0.000 0.421 608 K N 6.665 126.960 120.400 -0.174 0.000 2.468 608 K HA 0.491 4.811 4.320 -0.000 0.000 0.252 608 K C -1.992 174.464 176.600 -0.240 0.000 0.932 608 K CA -0.516 55.633 56.287 -0.230 0.000 0.794 608 K CB 1.575 34.021 32.500 -0.090 0.000 1.241 608 K HN 0.491 nan 8.250 nan 0.000 0.428 609 F N 3.786 123.675 119.950 -0.102 0.000 2.371 609 F HA 0.165 4.692 4.527 0.000 0.000 0.363 609 F C 0.944 176.569 175.800 -0.291 0.000 1.122 609 F CA -0.739 57.083 58.000 -0.296 0.000 1.129 609 F CB 1.259 39.819 39.000 -0.733 0.000 1.173 609 F HN 0.636 nan 8.300 nan 0.000 0.489 610 D N 0.993 121.358 120.400 -0.058 0.000 2.144 610 D HA -0.043 4.597 4.640 -0.000 0.000 0.207 610 D C 0.739 177.018 176.300 -0.034 0.000 0.970 610 D CA 1.150 55.116 54.000 -0.057 0.000 0.853 610 D CB 0.295 41.034 40.800 -0.102 0.000 1.007 610 D HN 0.443 nan 8.370 nan 0.000 0.469 611 S N -0.659 114.996 115.700 -0.075 0.000 2.537 611 S HA 0.596 5.066 4.470 -0.000 0.000 0.270 611 S C -1.023 173.546 174.600 -0.051 0.000 1.142 611 S CA -0.985 57.199 58.200 -0.028 0.000 0.870 611 S CB 2.181 65.372 63.200 -0.016 0.000 1.112 611 S HN 0.120 nan 8.310 nan 0.000 0.466 612 I N 1.823 122.410 120.570 0.028 0.000 2.534 612 I HA 0.699 4.869 4.170 -0.000 0.000 0.288 612 I C -1.311 174.985 176.117 0.299 0.000 1.077 612 I CA -0.364 60.975 61.300 0.065 0.000 1.051 612 I CB 1.122 39.066 38.000 -0.093 0.000 1.234 612 I HN 0.966 nan 8.210 nan 0.000 0.425 613 C N 5.949 125.439 119.300 0.317 0.000 2.771 613 C HA 0.709 5.169 4.460 -0.000 0.000 0.333 613 C C -0.668 174.427 174.990 0.175 0.000 1.267 613 C CA -0.641 58.574 59.018 0.328 0.000 1.721 613 C CB 1.768 29.623 27.740 0.192 0.000 2.222 613 C HN 0.668 nan 8.230 nan 0.000 0.485 614 L N 1.640 122.798 121.223 -0.109 0.000 2.333 614 L HA 0.621 4.961 4.340 -0.000 0.000 0.280 614 L C -1.475 175.284 176.870 -0.184 0.000 1.004 614 L CA -0.038 54.633 54.840 -0.282 0.000 0.820 614 L CB 0.453 42.078 42.059 -0.723 0.000 1.247 614 L HN 0.664 nan 8.230 nan 0.000 0.416 615 Y N 3.575 123.688 120.300 -0.312 0.000 2.446 615 Y HA 0.829 5.379 4.550 -0.000 0.000 0.338 615 Y C 0.133 175.850 175.900 -0.305 0.000 1.055 615 Y CA -0.327 57.565 58.100 -0.348 0.000 1.101 615 Y CB 2.299 40.338 38.460 -0.701 0.000 1.221 615 Y HN 0.777 nan 8.280 nan 0.000 0.460 616 A N 1.585 124.452 122.820 0.079 0.000 2.459 616 A HA 0.732 5.052 4.320 -0.000 0.000 0.296 616 A C -1.135 176.508 177.584 0.099 0.000 1.039 616 A CA -0.694 51.358 52.037 0.025 0.000 0.698 616 A CB 1.112 20.178 19.000 0.111 0.000 1.261 616 A HN 0.586 nan 8.150 nan 0.000 0.405 617 T N 2.068 116.608 114.554 -0.023 0.000 2.823 617 T HA 0.676 5.026 4.350 -0.000 0.000 0.279 617 T C -1.056 173.649 174.700 0.008 0.000 0.998 617 T CA 0.080 62.255 62.100 0.125 0.000 0.994 617 T CB 0.328 69.279 68.868 0.138 0.000 0.960 617 T HN 0.331 nan 8.240 nan 0.000 0.448 618 F N 1.932 121.952 119.950 0.117 0.000 2.482 618 F HA 0.507 5.034 4.527 -0.000 0.000 0.331 618 F C 0.040 175.936 175.800 0.160 0.000 1.115 618 F CA -1.848 56.237 58.000 0.143 0.000 0.955 618 F CB 0.911 39.989 39.000 0.129 0.000 1.136 618 F HN 0.531 nan 8.300 nan 0.000 0.452 619 F N 6.328 126.408 119.950 0.218 0.000 2.578 619 F HA 0.242 4.769 4.527 -0.000 0.000 0.376 619 F C -1.602 174.302 175.800 0.173 0.000 1.085 619 F CA -1.880 56.211 58.000 0.152 0.000 1.260 619 F CB 0.703 39.769 39.000 0.109 0.000 1.095 619 F HN 0.241 nan 8.300 nan 0.000 0.573 620 P HA 0.004 nan 4.420 nan 0.000 0.225 620 P C -0.266 177.040 177.300 0.010 0.000 1.768 620 P CA 0.004 63.053 63.100 -0.083 0.000 0.943 620 P CB -0.125 31.467 31.700 -0.180 0.000 1.936 621 M N 1.518 121.329 119.600 0.352 0.000 2.249 621 M HA 0.244 4.724 4.480 -0.000 0.000 0.340 621 M C 0.309 176.769 176.300 0.267 0.000 1.166 621 M CA -0.115 55.459 55.300 0.457 0.000 1.115 621 M CB 0.638 33.523 32.600 0.475 0.000 1.606 621 M HN 0.163 nan 8.290 nan 0.000 0.448 622 A N 3.697 126.636 122.820 0.199 0.000 2.540 622 A HA -0.001 4.319 4.320 -0.000 0.000 0.239 622 A C 0.536 178.246 177.584 0.211 0.000 1.061 622 A CA -0.141 51.960 52.037 0.106 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 2.317 121.433 119.070 0.077 0.000 2.422 623 H HA -0.153 4.403 4.556 -0.000 0.000 0.298 623 H C 2.031 177.397 175.328 0.063 0.000 1.098 623 H CA 2.026 58.114 56.048 0.067 0.000 1.315 623 H CB -0.109 29.683 29.762 0.050 0.000 1.382 623 H HN 0.894 nan 8.280 nan 0.000 0.523 624 N N 0.252 119.063 118.700 0.184 0.000 2.188 624 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 624 N C 1.523 177.096 175.510 0.106 0.000 1.018 624 N CA 1.598 54.722 53.050 0.122 0.000 0.858 624 N CB -0.789 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 1.214 115.837 114.554 0.114 0.000 2.737 625 T HA 0.097 4.447 4.350 -0.000 0.000 0.265 625 T C 2.202 176.958 174.700 0.093 0.000 1.038 625 T CA 1.579 63.736 62.100 0.094 0.000 1.144 625 T CB -0.488 68.437 68.868 0.095 0.000 0.866 625 T HN 0.487 nan 8.240 nan 0.000 0.434 626 A N 1.315 124.211 122.820 0.128 0.000 1.908 626 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 626 A C 2.574 180.207 177.584 0.082 0.000 1.181 626 A CA 2.197 54.305 52.037 0.118 0.000 0.627 626 A CB -1.155 17.941 19.000 0.160 0.000 0.818 626 A HN 0.458 nan 8.150 nan 0.000 0.445 627 S N -1.136 114.611 115.700 0.079 0.000 2.370 627 S HA -0.156 4.314 4.470 -0.000 0.000 0.226 627 S C 2.043 176.672 174.600 0.048 0.000 1.033 627 S CA 2.308 60.541 58.200 0.055 0.000 1.011 627 S CB -0.607 62.627 63.200 0.056 0.000 0.852 627 S HN 0.609 nan 8.310 nan 0.000 0.457 628 T N 2.357 116.942 114.554 0.052 0.000 2.812 628 T HA 0.012 4.362 4.350 -0.000 0.000 0.264 628 T C 1.682 176.401 174.700 0.033 0.000 1.042 628 T CA 1.288 63.412 62.100 0.040 0.000 1.140 628 T CB -0.447 68.446 68.868 0.042 0.000 0.870 628 T HN 0.354 nan 8.240 nan 0.000 0.445 629 L N 1.633 122.877 121.223 0.036 0.000 2.083 629 L HA -0.024 4.316 4.340 -0.000 0.000 0.209 629 L C 2.417 179.302 176.870 0.025 0.000 1.083 629 L CA 1.919 56.774 54.840 0.025 0.000 0.752 629 L CB -0.608 41.466 42.059 0.025 0.000 0.899 629 L HN 0.320 nan 8.230 nan 0.000 0.433 630 E N -0.367 119.852 120.200 0.033 0.000 2.077 630 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 630 E C 2.074 178.684 176.600 0.017 0.000 0.989 630 E CA 1.219 57.637 56.400 0.029 0.000 0.800 630 E CB -0.240 29.482 29.700 0.038 0.000 0.746 630 E HN 0.587 nan 8.360 nan 0.000 0.452 631 A N 1.094 123.925 122.820 0.018 0.000 1.908 631 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 631 A C 2.266 179.854 177.584 0.007 0.000 1.181 631 A CA 1.862 53.906 52.037 0.011 0.000 0.627 631 A CB -0.547 18.464 19.000 0.018 0.000 0.818 631 A HN 0.351 nan 8.150 nan 0.000 0.445 632 M N -0.693 118.913 119.600 0.010 0.000 2.132 632 M HA -0.053 4.427 4.480 -0.000 0.000 0.263 632 M C 1.831 178.135 176.300 0.006 0.000 1.065 632 M CA 1.263 56.568 55.300 0.008 0.000 1.122 632 M CB -0.446 32.159 32.600 0.008 0.000 1.365 632 M HN 0.326 nan 8.290 nan 0.000 0.411 633 L N -0.654 120.572 121.223 0.006 0.000 2.551 633 L HA -0.088 4.252 4.340 -0.000 0.000 0.228 633 L C 2.159 179.027 176.870 -0.003 0.000 1.153 633 L CA 0.503 55.346 54.840 0.005 0.000 0.851 633 L CB -0.468 41.596 42.059 0.009 0.000 0.959 633 L HN 0.264 nan 8.230 nan 0.000 0.451 634 R N -0.426 120.062 120.500 -0.019 0.000 2.297 634 R HA 0.080 4.420 4.340 -0.000 0.000 0.197 634 R C 0.050 176.329 176.300 -0.034 0.000 0.943 634 R CA -0.087 55.973 56.100 -0.066 0.000 1.038 634 R CB 0.081 30.325 30.300 -0.093 0.000 0.957 634 R HN 0.346 nan 8.270 nan 0.000 0.484 635 N N 1.642 120.354 118.700 0.019 0.000 2.514 635 N HA -0.026 4.714 4.740 -0.000 0.000 0.277 635 N C 0.145 175.723 175.510 0.113 0.000 1.126 635 N CA 0.108 53.194 53.050 0.059 0.000 0.978 635 N CB 1.332 39.837 38.487 0.030 0.000 1.106 635 N HN 0.111 nan 8.380 nan 0.000 0.461 636 D N -0.356 120.134 120.400 0.151 0.000 2.221 636 D HA -0.184 4.456 4.640 -0.000 0.000 0.204 636 D C 1.500 177.802 176.300 0.003 0.000 0.982 636 D CA 1.172 55.204 54.000 0.054 0.000 0.857 636 D CB -0.220 40.471 40.800 -0.182 0.000 0.934 636 D HN 0.522 nan 8.370 nan 0.000 0.475 637 T N -0.627 113.929 114.554 0.003 0.000 2.833 637 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 637 T C 1.098 175.793 174.700 -0.009 0.000 1.054 637 T CA 0.983 63.076 62.100 -0.011 0.000 1.135 637 T CB -0.391 68.473 68.868 -0.007 0.000 0.869 637 T HN 0.098 nan 8.240 nan 0.000 0.466 638 N N 1.888 120.592 118.700 0.007 0.000 2.320 638 N HA 0.115 4.855 4.740 -0.000 0.000 0.237 638 N C -0.890 174.623 175.510 0.005 0.000 1.129 638 N CA -0.143 52.906 53.050 -0.001 0.000 0.854 638 N CB 0.252 38.739 38.487 0.001 0.000 1.083 638 N HN 0.477 nan 8.380 nan 0.000 0.504 639 D N 1.483 121.893 120.400 0.016 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 0.610 54.627 54.000 0.029 0.000 0.884 639 D CB 1.181 42.000 40.800 0.032 0.000 1.199 639 D HN 0.118 nan 8.370 nan 0.000 0.438 640 Q N 0.153 119.925 119.800 -0.047 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 -0.187 0.000 0.894 640 Q CB 1.230 29.924 28.738 -0.072 0.000 1.225 640 Q HN 0.512 nan 8.270 nan 0.000 0.478 641 S N 0.392 115.690 115.700 -0.670 0.000 2.533 641 S HA 0.758 5.228 4.470 -0.000 0.000 0.271 641 S C -1.372 172.723 174.600 -0.842 0.000 1.143 641 S CA -0.849 57.048 58.200 -0.505 0.000 0.891 641 S CB 0.786 63.848 63.200 -0.230 0.000 1.105 641 S HN 0.411 nan 8.310 nan 0.000 0.468 642 F N 1.423 121.413 119.950 0.065 0.000 2.613 642 F HA 0.659 5.186 4.527 0.000 0.000 0.314 642 F C -0.143 175.785 175.800 0.213 0.000 1.075 642 F CA -0.778 57.300 58.000 0.132 0.000 0.945 642 F CB 1.909 40.999 39.000 0.150 0.000 1.310 642 F HN 0.830 nan 8.300 nan 0.000 0.467 643 N N -0.145 118.743 118.700 0.313 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 -0.200 0.000 1.114 643 N CA -0.612 52.452 53.050 0.023 0.000 0.776 643 N CB 2.289 40.782 38.487 0.010 0.000 1.501 643 N HN 0.632 nan 8.380 nan 0.000 0.474 644 D N 0.250 120.153 120.400 -0.828 0.000 2.424 644 D HA -0.013 4.627 4.640 -0.000 0.000 0.244 644 D C 0.903 177.051 176.300 -0.253 0.000 1.134 644 D CA -0.111 53.476 54.000 -0.688 0.000 0.881 644 D CB 0.563 40.784 40.800 -0.965 0.000 1.191 644 D HN 0.500 nan 8.370 nan 0.000 0.445 645 Y N 3.629 123.822 120.300 -0.178 0.000 2.145 645 Y HA -0.163 4.387 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 1.439 59.461 58.100 -0.130 0.000 1.148 645 Y CB -0.256 38.151 38.460 -0.088 0.000 0.981 645 Y HN 0.531 nan 8.280 nan 0.000 0.507 646 L N 0.530 121.722 121.223 -0.051 0.000 2.083 646 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 646 L C 1.126 177.853 176.870 -0.239 0.000 1.083 646 L CA 1.753 56.517 54.840 -0.127 0.000 0.752 646 L CB -0.849 41.189 42.059 -0.035 0.000 0.899 646 L HN 0.218 nan 8.230 nan 0.000 0.433 647 S N -0.054 115.490 115.700 -0.259 0.000 3.356 647 S HA 0.011 4.481 4.470 -0.000 0.000 0.376 647 S C 0.056 174.527 174.600 -0.215 0.000 0.924 647 S CA 0.497 58.528 58.200 -0.283 0.000 1.316 647 S CB -1.626 61.340 63.200 -0.391 0.000 0.922 647 S HN 0.944 nan 8.310 nan 0.000 0.553 648 A N 0.554 123.300 122.820 -0.124 0.000 2.612 648 A HA 0.867 5.187 4.320 -0.000 0.000 0.293 648 A C -0.519 177.067 177.584 0.003 0.000 1.075 648 A CA -0.090 51.908 52.037 -0.065 0.000 0.680 648 A CB 1.067 20.026 19.000 -0.067 0.000 1.279 648 A HN 1.502 nan 8.150 nan 0.000 0.411 649 A N 1.614 124.435 122.820 0.002 0.000 2.274 649 A HA 0.637 4.957 4.320 -0.000 0.000 0.309 649 A C -0.391 177.278 177.584 0.142 0.000 1.226 649 A CA -0.633 51.408 52.037 0.008 0.000 0.853 649 A CB 0.103 18.959 19.000 -0.241 0.000 1.146 649 A HN 0.670 nan 8.150 nan 0.000 0.518 650 N N 3.344 122.170 118.700 0.210 0.000 2.425 650 N HA 0.417 5.157 4.740 -0.000 0.000 0.268 650 N C -0.882 174.817 175.510 0.314 0.000 0.991 650 N CA -0.134 53.136 53.050 0.368 0.000 0.931 650 N CB 1.395 40.142 38.487 0.432 0.000 1.130 650 N HN 0.573 nan 8.380 nan 0.000 0.493 651 M N 2.569 122.407 119.600 0.397 0.000 2.456 651 M HA 0.502 4.982 4.480 -0.000 0.000 0.324 651 M C -0.646 175.733 176.300 0.132 0.000 1.124 651 M CA -0.564 54.856 55.300 0.200 0.000 0.959 651 M CB 2.057 34.881 32.600 0.374 0.000 1.692 651 M HN 0.226 nan 8.290 nan 0.000 0.444 652 L N 2.997 124.093 121.223 -0.212 0.000 2.381 652 L HA 0.530 4.870 4.340 -0.000 0.000 0.274 652 L C -1.626 175.013 176.870 -0.385 0.000 0.988 652 L CA -0.659 54.089 54.840 -0.154 0.000 0.824 652 L CB 1.666 43.622 42.059 -0.171 0.000 1.263 652 L HN 0.570 nan 8.230 nan 0.000 0.410 653 Y N 3.438 123.772 120.300 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 1.568 40.049 38.460 0.036 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 4.734 125.315 120.570 0.018 0.000 2.437 655 I HA 0.257 4.427 4.170 -0.000 0.000 0.279 655 I C -2.277 173.833 176.117 -0.011 0.000 1.028 655 I CA -2.775 58.523 61.300 -0.003 0.000 1.142 655 I CB 1.644 39.624 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 -0.071 177.220 177.300 -0.015 0.000 1.201 656 P CA -0.125 62.969 63.100 -0.010 0.000 0.775 656 P CB 0.577 32.274 31.700 -0.005 0.000 0.854 657 A N 2.866 125.677 122.820 -0.014 0.000 2.567 657 A HA -0.018 4.302 4.320 -0.000 0.000 0.240 657 A C 0.912 178.489 177.584 -0.011 0.000 1.053 657 A CA 0.795 52.824 52.037 -0.013 0.000 0.755 657 A CB -1.379 17.615 19.000 -0.009 0.000 0.978 657 A HN 0.829 nan 8.150 nan 0.000 0.507 658 N N -0.836 117.856 118.700 -0.013 0.000 2.900 658 N HA -0.222 4.518 4.740 -0.000 0.000 0.240 658 N C 0.371 175.872 175.510 -0.016 0.000 0.953 658 N CA 0.541 53.585 53.050 -0.011 0.000 0.950 658 N CB -1.510 36.975 38.487 -0.003 0.000 1.102 658 N HN 1.220 nan 8.380 nan 0.000 0.593 659 A N 0.085 122.893 122.820 -0.019 0.000 2.483 659 A HA 0.369 4.689 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 1.018 53.044 52.037 -0.018 0.000 0.770 659 A CB 0.495 19.486 19.000 -0.015 0.000 1.008 659 A HN 0.231 nan 8.150 nan 0.000 0.497 660 T N 0.895 115.435 114.554 -0.024 0.000 2.964 660 T HA 0.119 4.469 4.350 -0.000 0.000 0.249 660 T C 0.129 174.815 174.700 -0.023 0.000 1.000 660 T CA 0.527 62.609 62.100 -0.030 0.000 0.992 660 T CB -0.195 68.659 68.868 -0.023 0.000 1.087 660 T HN 0.821 nan 8.240 nan 0.000 0.489 661 N N 1.019 119.711 118.700 -0.012 0.000 2.392 661 N HA 0.547 5.287 4.740 -0.000 0.000 0.283 661 N C -1.377 174.139 175.510 0.011 0.000 1.003 661 N CA -0.561 52.489 53.050 -0.001 0.000 0.892 661 N CB 2.233 40.718 38.487 -0.004 0.000 1.193 661 N HN -0.109 nan 8.380 nan 0.000 0.487 662 V N 2.489 122.425 119.914 0.036 0.000 2.340 662 V HA 0.470 4.590 4.120 -0.000 0.000 0.277 662 V C -2.277 173.859 176.094 0.069 0.000 1.017 662 V CA -1.303 61.023 62.300 0.043 0.000 0.820 662 V CB 1.214 33.052 31.823 0.025 0.000 1.028 662 V HN 0.715 nan 8.190 nan 0.000 0.436 663 P HA 0.574 nan 4.420 nan 0.000 0.300 663 P C -0.841 176.449 177.300 -0.017 0.000 1.326 663 P CA -0.456 62.651 63.100 0.012 0.000 0.844 663 P CB 2.112 33.816 31.700 0.006 0.000 0.992 664 I N -0.453 120.089 120.570 -0.046 0.000 2.447 664 I HA 0.556 4.726 4.170 -0.000 0.000 0.287 664 I C -0.646 175.465 176.117 -0.010 0.000 1.023 664 I CA -0.701 60.526 61.300 -0.122 0.000 1.083 664 I CB 2.201 39.942 38.000 -0.433 0.000 1.245 664 I HN 0.095 nan 8.210 nan 0.000 0.434 665 S N 6.682 122.411 115.700 0.047 0.000 2.617 665 S HA 0.715 5.185 4.470 -0.000 0.000 0.283 665 S C -0.346 174.336 174.600 0.136 0.000 1.189 665 S CA -0.681 57.568 58.200 0.082 0.000 1.036 665 S CB 1.077 64.321 63.200 0.072 0.000 1.014 665 S HN 0.574 nan 8.310 nan 0.000 0.522 666 I N 5.639 126.298 120.570 0.149 0.000 2.583 666 I HA 0.302 4.472 4.170 -0.000 0.000 0.276 666 I C -2.267 173.937 176.117 0.144 0.000 1.089 666 I CA -2.120 59.285 61.300 0.175 0.000 1.103 666 I CB 1.165 39.340 38.000 0.291 0.000 1.209 666 I HN 0.484 nan 8.210 nan 0.000 0.484 667 P HA -0.123 nan 4.420 nan 0.000 0.270 667 P C 0.358 177.699 177.300 0.068 0.000 1.181 667 P CA 0.466 63.600 63.100 0.056 0.000 0.767 667 P CB 0.577 32.282 31.700 0.010 0.000 0.799 668 S N 2.295 118.042 115.700 0.078 0.000 2.558 668 S HA 0.279 4.749 4.470 -0.000 0.000 0.288 668 S C 0.243 174.841 174.600 -0.003 0.000 1.318 668 S CA 0.031 58.295 58.200 0.108 0.000 1.056 668 S CB -0.217 63.029 63.200 0.077 0.000 0.853 668 S HN 0.825 nan 8.310 nan 0.000 0.505 669 R N 1.651 122.146 120.500 -0.008 0.000 3.033 669 R HA 0.369 4.709 4.340 -0.000 0.000 0.284 669 R C -1.139 174.983 176.300 -0.297 0.000 0.997 669 R CA -0.812 55.153 56.100 -0.225 0.000 0.851 669 R CB -0.493 29.545 30.300 -0.438 0.000 1.297 669 R HN 0.569 nan 8.270 nan 0.000 0.518 670 N N -0.349 118.177 118.700 -0.291 0.000 2.305 670 N HA 0.035 4.775 4.740 -0.000 0.000 0.232 670 N C -0.733 174.539 175.510 -0.398 0.000 1.274 670 N CA 0.763 53.707 53.050 -0.176 0.000 0.870 670 N CB 0.303 38.712 38.487 -0.129 0.000 1.105 670 N HN 0.577 nan 8.380 nan 0.000 0.436 671 W N 0.170 121.506 121.300 0.060 0.000 1.526 671 W HA 0.452 5.112 4.660 -0.000 0.000 0.218 671 W C 0.037 176.634 176.519 0.131 0.000 0.797 671 W CA -0.389 56.989 57.345 0.056 0.000 0.997 671 W CB -0.342 29.197 29.460 0.130 0.000 0.926 671 W HN 0.522 nan 8.180 nan 0.000 0.483 672 A N 1.066 124.073 122.820 0.310 0.000 2.565 672 A HA 0.363 4.683 4.320 -0.000 0.000 0.237 672 A C 1.555 179.275 177.584 0.226 0.000 1.053 672 A CA 1.515 53.701 52.037 0.248 0.000 0.755 672 A CB -0.066 19.034 19.000 0.165 0.000 0.980 672 A HN 1.278 nan 8.150 nan 0.000 0.506 673 A N 1.212 124.162 122.820 0.216 0.000 3.396 673 A HA -0.196 4.124 4.320 -0.000 0.000 0.267 673 A C 0.391 178.184 177.584 0.348 0.000 1.139 673 A CA 0.942 53.132 52.037 0.254 0.000 1.115 673 A CB -2.594 16.526 19.000 0.200 0.000 1.133 673 A HN 2.046 nan 8.150 nan 0.000 0.920 674 F N 1.428 121.456 119.950 0.130 0.000 2.608 674 F HA 0.380 4.907 4.527 -0.000 0.000 0.380 674 F C 1.307 177.101 175.800 -0.010 0.000 1.083 674 F CA 0.605 58.618 58.000 0.022 0.000 1.266 674 F CB 0.368 39.292 39.000 -0.127 0.000 1.076 674 F HN 0.257 nan 8.300 nan 0.000 0.574 675 R N 3.154 123.248 120.500 -0.677 0.000 2.189 675 R HA 0.412 4.752 4.340 -0.000 0.000 0.203 675 R C 0.778 176.586 176.300 -0.820 0.000 1.012 675 R CA 0.315 56.067 56.100 -0.581 0.000 1.015 675 R CB 0.052 30.069 30.300 -0.471 0.000 0.938 675 R HN 0.915 nan 8.270 nan 0.000 0.472 676 G N -0.701 107.083 108.800 -1.694 0.000 2.340 676 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.282 676 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.282 676 G C -1.838 172.540 174.900 -0.870 0.000 1.312 676 G CA -0.976 43.396 45.100 -1.213 0.000 0.942 676 G HN 0.025 nan 8.290 nan 0.000 0.495 677 W N -0.044 121.160 121.300 -0.159 0.000 2.781 677 W HA 0.756 5.416 4.660 0.000 0.000 0.345 677 W C 0.119 176.593 176.519 -0.075 0.000 1.085 677 W CA -0.268 57.028 57.345 -0.083 0.000 1.198 677 W CB 2.435 31.896 29.460 0.003 0.000 1.423 677 W HN 1.285 nan 8.180 nan 0.000 0.532 678 A N 2.742 125.645 122.820 0.139 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 -0.055 0.000 0.696 678 A CB 1.669 20.545 19.000 -0.207 0.000 1.278 678 A HN 0.671 nan 8.150 nan 0.000 0.405 679 F N -0.902 118.906 119.950 -0.236 0.000 2.719 679 F HA 0.878 5.405 4.527 -0.000 0.000 0.309 679 F C -0.304 175.277 175.800 -0.366 0.000 1.138 679 F CA -0.384 57.424 58.000 -0.319 0.000 0.943 679 F CB 1.139 40.022 39.000 -0.196 0.000 1.304 679 F HN 0.711 nan 8.300 nan 0.000 0.445 680 T N -0.432 114.076 114.554 -0.077 0.000 2.626 680 T HA 0.607 4.957 4.350 -0.000 0.000 0.299 680 T C -1.712 173.274 174.700 0.477 0.000 1.181 680 T CA -1.191 60.926 62.100 0.029 0.000 1.053 680 T CB 1.995 70.647 68.868 -0.361 0.000 1.566 680 T HN 0.949 nan 8.240 nan 0.000 0.486 681 R N 0.115 120.845 120.500 0.383 0.000 2.575 681 R HA 0.742 5.082 4.340 -0.000 0.000 0.293 681 R C -1.769 174.612 176.300 0.135 0.000 0.983 681 R CA -0.683 55.554 56.100 0.228 0.000 0.887 681 R CB 1.010 31.314 30.300 0.007 0.000 1.184 681 R HN 0.614 nan 8.270 nan 0.000 0.445 682 L N 2.678 123.980 121.223 0.131 0.000 2.323 682 L HA 0.579 4.919 4.340 -0.000 0.000 0.265 682 L C -0.339 176.551 176.870 0.033 0.000 1.012 682 L CA -1.171 53.734 54.840 0.109 0.000 0.820 682 L CB 2.214 44.381 42.059 0.181 0.000 1.334 682 L HN 0.462 nan 8.230 nan 0.000 0.427 683 K N 0.029 120.444 120.400 0.026 0.000 2.201 683 K HA 0.270 4.590 4.320 -0.000 0.000 0.278 683 K C 0.535 177.126 176.600 -0.016 0.000 1.027 683 K CA -0.396 55.892 56.287 0.002 0.000 0.909 683 K CB 1.759 34.267 32.500 0.015 0.000 1.062 683 K HN 0.559 nan 8.250 nan 0.000 0.465 684 T N 2.348 116.888 114.554 -0.022 0.000 2.720 684 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 684 T C 1.337 176.023 174.700 -0.023 0.000 1.037 684 T CA 1.415 63.501 62.100 -0.025 0.000 1.144 684 T CB 0.001 68.854 68.868 -0.025 0.000 0.864 684 T HN 0.520 nan 8.240 nan 0.000 0.444 685 K N 0.919 121.284 120.400 -0.059 0.000 2.211 685 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 685 K C 1.801 178.262 176.600 -0.231 0.000 1.047 685 K CA 1.103 57.328 56.287 -0.103 0.000 0.935 685 K CB -0.043 32.377 32.500 -0.134 0.000 0.728 685 K HN 0.518 nan 8.250 nan 0.000 0.452 686 E N 0.135 120.167 120.200 -0.280 0.000 2.444 686 E HA 0.029 4.379 4.350 -0.000 0.000 0.191 686 E C -0.520 176.131 176.600 0.085 0.000 1.041 686 E CA 0.146 56.316 56.400 -0.384 0.000 0.883 686 E CB 0.794 30.276 29.700 -0.364 0.000 1.024 686 E HN -0.007 nan 8.360 nan 0.000 0.470 687 T N 3.800 118.412 114.554 0.097 0.000 2.977 687 T HA 0.217 4.567 4.350 -0.000 0.000 0.346 687 T C -2.472 172.179 174.700 -0.081 0.000 1.140 687 T CA -1.548 60.561 62.100 0.014 0.000 1.040 687 T CB 1.279 70.097 68.868 -0.083 0.000 1.046 687 T HN -0.009 nan 8.240 nan 0.000 0.494 688 P HA 0.102 nan 4.420 nan 0.000 0.269 688 P C -0.032 177.041 177.300 -0.378 0.000 1.209 688 P CA -0.245 62.440 63.100 -0.692 0.000 0.776 688 P CB 0.694 31.704 31.700 -1.151 0.000 0.876 689 S N 3.649 119.177 115.700 -0.286 0.000 2.423 689 S HA 0.163 4.633 4.470 -0.000 0.000 0.302 689 S C 0.711 175.203 174.600 -0.180 0.000 1.143 689 S CA -0.687 57.397 58.200 -0.192 0.000 1.080 689 S CB -1.003 62.135 63.200 -0.104 0.000 1.081 689 S HN 0.261 nan 8.310 nan 0.000 0.522 690 L N 4.279 125.401 121.223 -0.169 0.000 2.440 690 L HA 0.268 4.608 4.340 -0.000 0.000 0.184 690 L C 2.174 179.018 176.870 -0.043 0.000 1.111 690 L CA 0.619 55.407 54.840 -0.087 0.000 0.910 690 L CB -0.848 41.177 42.059 -0.056 0.000 1.455 690 L HN 0.899 nan 8.230 nan 0.000 0.523 691 G N -0.360 108.445 108.800 0.008 0.000 2.650 691 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.245 691 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.245 691 G C 0.413 175.314 174.900 0.001 0.000 1.044 691 G CA 0.843 45.948 45.100 0.008 0.000 0.669 691 G HN 0.759 nan 8.290 nan 0.000 0.548 692 S N 0.565 116.256 115.700 -0.016 0.000 2.562 692 S HA 0.572 5.042 4.470 -0.000 0.000 0.275 692 S C 1.421 176.019 174.600 -0.004 0.000 1.281 692 S CA 0.551 58.733 58.200 -0.029 0.000 1.045 692 S CB 1.745 64.909 63.200 -0.061 0.000 0.962 692 S HN 1.410 nan 8.310 nan 0.000 0.503 693 G N 0.201 108.977 108.800 -0.039 0.000 2.708 693 G HA2 0.156 4.116 3.960 -0.000 0.000 0.210 693 G HA3 0.156 4.116 3.960 -0.000 0.000 0.210 693 G C -0.210 174.551 174.900 -0.232 0.000 1.141 693 G CA 0.363 45.434 45.100 -0.049 0.000 0.788 693 G HN 0.907 nan 8.290 nan 0.000 0.531 694 Y N -1.098 118.989 120.300 -0.355 0.000 2.554 694 Y HA 0.296 4.846 4.550 -0.000 0.000 0.338 694 Y C -2.333 173.435 175.900 -0.221 0.000 1.247 694 Y CA -1.355 56.538 58.100 -0.345 0.000 1.255 694 Y CB 1.160 39.238 38.460 -0.637 0.000 1.346 694 Y HN -0.057 nan 8.280 nan 0.000 0.481 695 D N 7.541 127.442 120.400 -0.832 0.000 2.454 695 D HA 0.384 5.024 4.640 -0.000 0.000 0.225 695 D C -1.984 173.927 176.300 -0.648 0.000 1.081 695 D CA -2.332 51.339 54.000 -0.547 0.000 0.864 695 D CB 1.885 42.477 40.800 -0.346 0.000 1.040 695 D HN 0.356 nan 8.370 nan 0.000 0.517 696 P HA -0.058 nan 4.420 nan 0.000 0.237 696 P C 0.412 177.542 177.300 -0.283 0.000 1.178 696 P CA 0.601 63.548 63.100 -0.255 0.000 0.766 696 P CB -0.001 31.480 31.700 -0.365 0.000 0.876 697 Y N -2.711 117.593 120.300 0.006 0.000 2.507 697 Y HA 0.209 4.759 4.550 -0.000 0.000 0.254 697 Y C 0.752 176.699 175.900 0.079 0.000 1.171 697 Y CA -0.850 57.270 58.100 0.033 0.000 1.238 697 Y CB 0.039 38.512 38.460 0.020 0.000 1.148 697 Y HN -0.147 nan 8.280 nan 0.000 0.525 698 Y N 2.476 122.770 120.300 -0.010 0.000 2.535 698 Y HA 0.156 4.706 4.550 0.000 0.000 0.349 698 Y C 0.467 176.385 175.900 0.030 0.000 0.992 698 Y CA -0.554 57.541 58.100 -0.008 0.000 1.248 698 Y CB 0.535 38.933 38.460 -0.103 0.000 1.124 698 Y HN 0.037 nan 8.280 nan 0.000 0.520 699 T N 2.665 117.130 114.554 -0.149 0.000 3.416 699 T HA 0.233 4.583 4.350 -0.000 0.000 0.245 699 T C -1.134 173.473 174.700 -0.155 0.000 1.081 699 T CA -0.459 61.566 62.100 -0.125 0.000 1.190 699 T CB -0.561 68.294 68.868 -0.021 0.000 1.068 699 T HN 0.520 nan 8.240 nan 0.000 0.580 700 Y N 0.998 120.938 120.300 -0.600 0.000 2.513 700 Y HA 0.558 5.108 4.550 -0.000 0.000 0.340 700 Y C -0.099 175.550 175.900 -0.418 0.000 1.055 700 Y CA -0.880 56.944 58.100 -0.459 0.000 1.020 700 Y CB 2.132 40.329 38.460 -0.439 0.000 1.301 700 Y HN 0.211 nan 8.280 nan 0.000 0.453 701 S N 1.900 117.071 115.700 -0.882 0.000 2.952 701 S HA 0.468 4.938 4.470 -0.000 0.000 0.251 701 S C 0.388 174.604 174.600 -0.639 0.000 1.021 701 S CA -0.012 57.842 58.200 -0.577 0.000 1.067 701 S CB -0.004 63.035 63.200 -0.269 0.000 1.002 701 S HN 0.988 nan 8.310 nan 0.000 0.574 702 G N 2.122 110.122 108.800 -1.333 0.000 2.531 702 G HA2 0.495 4.455 3.960 -0.000 0.000 0.253 702 G HA3 0.495 4.455 3.960 -0.000 0.000 0.253 702 G C 0.099 174.978 174.900 -0.036 0.000 1.439 702 G CA -0.126 44.677 45.100 -0.494 0.000 1.056 702 G HN 0.726 nan 8.290 nan 0.000 0.555 703 S N -1.283 114.542 115.700 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 -0.387 57.938 58.200 0.207 0.000 1.039 703 S CB 0.749 64.036 63.200 0.145 0.000 0.902 703 S HN 0.380 nan 8.310 nan 0.000 0.516 704 I N 3.267 123.970 120.570 0.222 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 0.095 0.000 1.078 704 I CA -2.319 59.127 61.300 0.243 0.000 1.184 704 I CB 1.377 39.523 38.000 0.244 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 31.748 31.700 0.035 0.000 0.790 706 Y N -0.208 120.083 120.300 -0.015 0.000 2.207 706 Y HA -0.195 4.355 4.550 -0.000 0.000 0.287 706 Y C 1.842 177.752 175.900 0.016 0.000 1.156 706 Y CA 1.566 59.692 58.100 0.042 0.000 1.182 706 Y CB -0.565 37.846 38.460 -0.082 0.000 0.979 706 Y HN -0.126 nan 8.280 nan 0.000 0.521 707 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 1.540 178.351 176.870 -0.098 0.000 1.061 707 L CA 0.874 55.684 54.840 -0.050 0.000 0.834 707 L CB -0.257 41.857 42.059 0.092 0.000 1.029 707 L HN 0.173 nan 8.230 nan 0.000 0.473 708 D N -0.828 119.490 120.400 -0.137 0.000 2.360 708 D HA 0.099 4.739 4.640 -0.000 0.000 0.210 708 D C 1.441 177.553 176.300 -0.312 0.000 1.047 708 D CA 0.686 54.587 54.000 -0.165 0.000 0.854 708 D CB 0.408 41.144 40.800 -0.106 0.000 0.936 708 D HN 0.182 nan 8.370 nan 0.000 0.514 709 G N 0.462 108.921 108.800 -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 0.671 175.155 174.900 -0.693 0.000 0.981 709 G CA 0.524 45.136 45.100 -0.813 0.000 0.665 709 G HN 0.684 nan 8.290 nan 0.000 0.528 710 T N -0.453 113.697 114.554 -0.673 0.000 3.820 710 T HA 0.556 4.906 4.350 -0.000 0.000 0.224 710 T C 0.615 175.262 174.700 -0.089 0.000 0.869 710 T CA -0.547 61.140 62.100 -0.689 0.000 0.932 710 T CB -0.737 67.488 68.868 -1.073 0.000 1.259 710 T HN 0.300 nan 8.240 nan 0.000 0.676 711 F N 2.491 122.567 119.950 0.211 0.000 2.518 711 F HA 0.303 4.830 4.527 -0.000 0.000 0.359 711 F C 1.065 177.146 175.800 0.470 0.000 1.118 711 F CA -0.676 57.483 58.000 0.265 0.000 1.287 711 F CB 0.438 39.506 39.000 0.112 0.000 1.132 711 F HN 0.521 nan 8.300 nan 0.000 0.587 712 Y N -0.300 120.284 120.300 0.474 0.000 2.957 712 Y HA 0.436 4.986 4.550 -0.000 0.000 0.274 712 Y C -0.407 175.722 175.900 0.383 0.000 1.065 712 Y CA -0.475 57.870 58.100 0.408 0.000 1.273 712 Y CB -0.864 37.829 38.460 0.389 0.000 1.358 712 Y HN 0.417 nan 8.280 nan 0.000 0.585 713 L N 0.923 122.128 121.223 -0.031 0.000 3.014 713 L HA 0.317 4.657 4.340 -0.000 0.000 0.263 713 L C 0.979 177.834 176.870 -0.025 0.000 1.207 713 L CA -0.077 54.677 54.840 -0.143 0.000 1.017 713 L CB 0.110 41.992 42.059 -0.295 0.000 1.360 713 L HN 0.212 nan 8.230 nan 0.000 0.560 714 N N 0.607 119.418 118.700 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 0.689 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 -0.226 119.027 119.070 0.304 0.000 2.559 715 H HA 0.074 4.630 4.556 -0.000 0.000 0.273 715 H C 1.032 176.389 175.328 0.049 0.000 1.000 715 H CA 1.231 57.271 56.048 -0.013 0.000 1.195 715 H CB -0.627 28.905 29.762 -0.384 0.000 1.368 715 H HN 0.134 nan 8.280 nan 0.000 0.592 716 T N -2.430 111.960 114.554 -0.272 0.000 3.144 716 T HA 0.158 4.508 4.350 -0.000 0.000 0.249 716 T C 0.117 174.709 174.700 -0.181 0.000 1.089 716 T CA -0.553 61.389 62.100 -0.263 0.000 0.989 716 T CB -0.737 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 1.418 121.422 119.950 0.090 0.000 2.394 717 F HA 0.596 5.123 4.527 0.000 0.000 0.340 717 F C 1.370 177.147 175.800 -0.039 0.000 1.105 717 F CA -1.140 56.905 58.000 0.076 0.000 1.124 717 F CB 1.816 40.925 39.000 0.182 0.000 1.145 717 F HN -0.103 nan 8.300 nan 0.000 0.505 718 K N 2.235 122.684 120.400 0.081 0.000 2.161 718 K HA 0.186 4.506 4.320 -0.000 0.000 0.205 718 K C -0.508 176.034 176.600 -0.097 0.000 1.035 718 K CA 0.724 57.004 56.287 -0.013 0.000 0.970 718 K CB 0.369 32.855 32.500 -0.022 0.000 0.866 718 K HN 0.647 nan 8.250 nan 0.000 0.461 719 K N -1.307 119.039 120.400 -0.090 0.000 2.579 719 K HA 0.479 4.799 4.320 -0.000 0.000 0.284 719 K C -1.571 174.899 176.600 -0.215 0.000 0.990 719 K CA -1.118 55.066 56.287 -0.173 0.000 0.880 719 K CB 2.138 34.557 32.500 -0.135 0.000 1.488 719 K HN -0.169 nan 8.250 nan 0.000 0.425 720 V N 0.106 119.849 119.914 -0.284 0.000 2.686 720 V HA 0.737 4.857 4.120 -0.000 0.000 0.306 720 V C -1.024 174.891 176.094 -0.298 0.000 1.065 720 V CA -0.740 61.249 62.300 -0.518 0.000 0.894 720 V CB 1.520 32.866 31.823 -0.794 0.000 1.004 720 V HN 0.966 nan 8.190 nan 0.000 0.424 721 A N 5.729 128.331 122.820 -0.363 0.000 2.318 721 A HA 0.923 5.243 4.320 -0.000 0.000 0.317 721 A C -0.830 176.600 177.584 -0.256 0.000 1.159 721 A CA -0.482 51.438 52.037 -0.194 0.000 0.799 721 A CB 0.762 19.671 19.000 -0.152 0.000 1.194 721 A HN 0.784 nan 8.150 nan 0.000 0.479 722 I N 1.782 122.277 120.570 -0.124 0.000 2.433 722 I HA 0.464 4.634 4.170 -0.000 0.000 0.292 722 I C -0.279 175.808 176.117 -0.051 0.000 1.001 722 I CA -0.182 61.007 61.300 -0.185 0.000 1.119 722 I CB 2.396 40.290 38.000 -0.176 0.000 1.289 722 I HN 0.545 nan 8.210 nan 0.000 0.438 723 T N 5.904 120.361 114.554 -0.161 0.000 2.928 723 T HA 0.503 4.853 4.350 -0.000 0.000 0.296 723 T C -0.740 173.861 174.700 -0.166 0.000 1.000 723 T CA -0.395 61.668 62.100 -0.063 0.000 0.989 723 T CB 0.824 69.676 68.868 -0.027 0.000 1.005 723 T HN 0.102 nan 8.240 nan 0.000 0.442 724 F N 1.936 121.911 119.950 0.042 0.000 2.399 724 F HA 0.315 4.842 4.527 0.000 0.000 0.334 724 F C 1.421 177.235 175.800 0.023 0.000 1.097 724 F CA -0.403 57.587 58.000 -0.016 0.000 1.076 724 F CB 0.821 39.753 39.000 -0.114 0.000 1.162 724 F HN 0.615 nan 8.300 nan 0.000 0.495 725 D N 2.154 122.713 120.400 0.264 0.000 2.702 725 D HA -0.242 4.398 4.640 -0.000 0.000 0.233 725 D C 0.548 176.926 176.300 0.129 0.000 1.164 725 D CA 1.187 55.311 54.000 0.206 0.000 0.638 725 D CB -0.596 40.338 40.800 0.223 0.000 1.041 725 D HN 0.859 nan 8.370 nan 0.000 0.422 726 S N -2.386 113.372 115.700 0.096 0.000 3.491 726 S HA -0.294 4.176 4.470 -0.000 0.000 0.371 726 S C 0.700 175.335 174.600 0.059 0.000 0.980 726 S CA 1.694 59.931 58.200 0.062 0.000 1.204 726 S CB -1.468 61.764 63.200 0.054 0.000 0.915 726 S HN 0.703 nan 8.310 nan 0.000 0.482 727 S N -1.935 113.808 115.700 0.071 0.000 1.773 727 S HA 0.156 4.626 4.470 -0.000 0.000 0.203 727 S C -0.105 174.539 174.600 0.073 0.000 0.762 727 S CA 0.450 58.687 58.200 0.061 0.000 1.503 727 S CB -0.079 63.155 63.200 0.057 0.000 0.926 727 S HN 1.007 nan 8.310 nan 0.000 0.380 728 V N 3.371 123.350 119.914 0.108 0.000 2.368 728 V HA 0.555 4.675 4.120 -0.000 0.000 0.266 728 V C 0.386 176.596 176.094 0.193 0.000 1.045 728 V CA -0.150 62.229 62.300 0.132 0.000 0.899 728 V CB 0.827 32.729 31.823 0.132 0.000 1.006 728 V HN 0.468 nan 8.190 nan 0.000 0.470 729 S N 5.161 120.950 115.700 0.147 0.000 2.548 729 S HA 0.416 4.886 4.470 -0.000 0.000 0.277 729 S C -0.896 173.868 174.600 0.274 0.000 1.315 729 S CA -0.426 57.874 58.200 0.166 0.000 1.050 729 S CB 0.356 63.596 63.200 0.067 0.000 0.918 729 S HN 0.663 nan 8.310 nan 0.000 0.497 730 W N 6.474 127.896 121.300 0.203 0.000 2.702 730 W HA 0.517 5.177 4.660 -0.000 0.000 0.331 730 W C -1.966 174.744 176.519 0.319 0.000 1.049 730 W CA -2.146 55.392 57.345 0.322 0.000 1.230 730 W CB 1.653 31.471 29.460 0.597 0.000 1.408 730 W HN 0.513 nan 8.180 nan 0.000 0.492 731 P HA 0.096 nan 4.420 nan 0.000 0.241 731 P C 0.915 177.926 177.300 -0.481 0.000 1.191 731 P CA 1.422 63.724 63.100 -1.329 0.000 0.771 731 P CB 0.317 31.233 31.700 -1.307 0.000 0.929 732 G N 1.894 110.551 108.800 -0.238 0.000 2.581 732 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.291 732 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.291 732 G C 0.381 175.192 174.900 -0.148 0.000 1.277 732 G CA 0.341 45.365 45.100 -0.127 0.000 0.959 732 G HN 0.326 nan 8.290 nan 0.000 0.554 733 N N 0.126 118.767 118.700 -0.098 0.000 2.681 733 N HA -0.211 4.529 4.740 -0.000 0.000 0.250 733 N C 0.637 176.097 175.510 -0.082 0.000 1.133 733 N CA 2.510 55.506 53.050 -0.089 0.000 0.732 733 N CB -0.870 37.551 38.487 -0.110 0.000 1.107 733 N HN 1.570 nan 8.380 nan 0.000 0.559 734 D N -1.398 118.954 120.400 -0.079 0.000 2.751 734 D HA -0.222 4.418 4.640 -0.000 0.000 0.233 734 D C 1.158 177.422 176.300 -0.060 0.000 1.149 734 D CA 1.162 55.124 54.000 -0.063 0.000 0.682 734 D CB -0.179 40.596 40.800 -0.042 0.000 1.068 734 D HN 0.396 nan 8.370 nan 0.000 0.429 735 R N -0.524 119.924 120.500 -0.086 0.000 2.062 735 R HA 0.119 4.459 4.340 -0.000 0.000 0.226 735 R C 1.103 177.389 176.300 -0.023 0.000 1.125 735 R CA 0.574 56.639 56.100 -0.058 0.000 0.966 735 R CB -0.086 30.159 30.300 -0.092 0.000 0.861 735 R HN 0.329 nan 8.270 nan 0.000 0.433 736 L N 1.259 122.437 121.223 -0.074 0.000 2.421 736 L HA 0.166 4.506 4.340 -0.000 0.000 0.263 736 L C 1.935 178.798 176.870 -0.012 0.000 1.122 736 L CA -0.432 54.370 54.840 -0.063 0.000 0.804 736 L CB 0.601 42.536 42.059 -0.205 0.000 1.150 736 L HN 0.004 nan 8.230 nan 0.000 0.457 737 L N 0.601 121.867 121.223 0.073 0.000 2.127 737 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 737 L C 1.101 178.002 176.870 0.051 0.000 1.089 737 L CA 1.368 56.319 54.840 0.184 0.000 0.757 737 L CB -0.573 41.841 42.059 0.592 0.000 0.899 737 L HN 0.801 nan 8.230 nan 0.000 0.434 738 T N -4.074 110.435 114.554 -0.076 0.000 3.250 738 T HA 0.271 4.621 4.350 -0.000 0.000 0.391 738 T C -1.526 173.085 174.700 -0.149 0.000 1.502 738 T CA -1.875 60.139 62.100 -0.142 0.000 1.320 738 T CB 0.913 69.649 68.868 -0.221 0.000 1.102 738 T HN -0.056 nan 8.240 nan 0.000 0.610 739 P HA -0.183 nan 4.420 nan 0.000 0.218 739 P C 0.839 178.048 177.300 -0.152 0.000 1.150 739 P CA 1.210 64.230 63.100 -0.133 0.000 0.841 739 P CB 0.164 31.814 31.700 -0.084 0.000 0.784 740 N N 0.151 118.777 118.700 -0.124 0.000 2.398 740 N HA 0.003 4.743 4.740 -0.000 0.000 0.188 740 N C 0.756 176.202 175.510 -0.108 0.000 1.122 740 N CA 0.539 53.530 53.050 -0.098 0.000 0.866 740 N CB 0.346 38.791 38.487 -0.069 0.000 0.970 740 N HN 0.575 nan 8.380 nan 0.000 0.462 741 E N -1.189 118.911 120.200 -0.167 0.000 2.422 741 E HA 0.208 4.558 4.350 -0.000 0.000 0.280 741 E C -1.618 174.852 176.600 -0.217 0.000 1.091 741 E CA -0.755 55.568 56.400 -0.129 0.000 0.849 741 E CB 0.289 29.929 29.700 -0.099 0.000 1.353 741 E HN -0.243 nan 8.360 nan 0.000 0.449 742 F N 1.374 121.245 119.950 -0.131 0.000 2.350 742 F HA 0.282 4.809 4.527 -0.000 0.000 0.365 742 F C 0.202 175.876 175.800 -0.209 0.000 1.122 742 F CA -0.386 57.554 58.000 -0.100 0.000 1.139 742 F CB 1.252 40.232 39.000 -0.034 0.000 1.220 742 F HN 0.239 nan 8.300 nan 0.000 0.499 743 E N 4.665 124.830 120.200 -0.060 0.000 2.130 743 E HA 0.214 4.564 4.350 -0.000 0.000 0.284 743 E C 0.779 177.248 176.600 -0.219 0.000 1.018 743 E CA -0.132 56.183 56.400 -0.143 0.000 0.817 743 E CB 1.513 31.135 29.700 -0.131 0.000 1.078 743 E HN 0.688 nan 8.360 nan 0.000 0.396 744 I N 2.840 123.138 120.570 -0.453 0.000 2.333 744 I HA -0.142 4.028 4.170 -0.000 0.000 0.246 744 I C 0.840 176.795 176.117 -0.270 0.000 1.106 744 I CA 1.090 61.903 61.300 -0.810 0.000 1.411 744 I CB 0.063 37.390 38.000 -1.122 0.000 1.082 744 I HN 0.408 nan 8.210 nan 0.000 0.420 745 K N 0.450 120.797 120.400 -0.088 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 0.044 0.000 0.948 745 K CA -0.905 55.428 56.287 0.077 0.000 0.842 745 K CB 2.105 34.741 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 0.368 4.708 4.340 -0.000 0.000 0.282 746 R C -0.987 175.355 176.300 0.070 0.000 0.969 746 R CA -1.099 55.029 56.100 0.047 0.000 0.918 746 R CB 2.311 32.633 30.300 0.036 0.000 1.175 746 R HN 0.884 nan 8.270 nan 0.000 0.464 747 S N 0.838 116.568 115.700 0.049 0.000 2.423 747 S HA 0.193 4.663 4.470 -0.000 0.000 0.317 747 S C 1.196 175.825 174.600 0.048 0.000 1.065 747 S CA -0.702 57.531 58.200 0.054 0.000 1.111 747 S CB 1.065 64.290 63.200 0.041 0.000 0.968 747 S HN 0.535 nan 8.310 nan 0.000 0.474 748 V N 1.976 121.926 119.914 0.059 0.000 0.575 748 V HA -0.458 3.662 4.120 -0.000 0.000 0.092 748 V C 2.089 178.210 176.094 0.046 0.000 1.949 748 V CA 2.551 64.882 62.300 0.051 0.000 3.444 748 V CB -1.923 29.923 31.823 0.039 0.000 0.743 748 V HN 0.842 nan 8.190 nan 0.000 0.767 749 D N 0.917 121.338 120.400 0.035 0.000 2.203 749 D HA -0.077 4.563 4.640 -0.000 0.000 0.199 749 D C 1.592 177.917 176.300 0.042 0.000 0.997 749 D CA 1.958 55.976 54.000 0.030 0.000 0.863 749 D CB -0.335 40.475 40.800 0.017 0.000 0.928 749 D HN 0.776 nan 8.370 nan 0.000 0.458 750 G N -0.009 108.822 108.800 0.051 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 0.912 175.890 174.900 0.130 0.000 1.240 750 G CA -0.366 44.783 45.100 0.083 0.000 0.970 750 G HN -0.048 nan 8.290 nan 0.000 0.574 751 E N 0.730 120.992 120.200 0.103 0.000 2.160 751 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 751 E C 2.539 179.202 176.600 0.105 0.000 0.991 751 E CA 1.181 57.641 56.400 0.099 0.000 0.810 751 E CB 0.001 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 -0.082 108.780 108.800 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 1.388 176.315 174.900 0.046 0.000 1.141 752 G CA 0.594 45.727 45.100 0.056 0.000 0.763 752 G HN 0.268 nan 8.290 nan 0.000 0.554 753 Y N 1.281 121.599 120.300 0.030 0.000 2.224 753 Y HA -0.018 4.532 4.550 -0.000 0.000 0.289 753 Y C 1.219 177.144 175.900 0.041 0.000 1.146 753 Y CA 0.707 58.828 58.100 0.035 0.000 1.182 753 Y CB -0.150 38.329 38.460 0.032 0.000 0.983 753 Y HN 0.082 nan 8.280 nan 0.000 0.524 754 N N 0.385 119.202 118.700 0.194 0.000 2.454 754 N HA 0.164 4.904 4.740 -0.000 0.000 0.254 754 N C -0.182 175.367 175.510 0.066 0.000 1.228 754 N CA 0.341 53.471 53.050 0.133 0.000 0.900 754 N CB 0.867 39.431 38.487 0.128 0.000 1.089 754 N HN 0.045 nan 8.380 nan 0.000 0.449 755 V N -2.204 117.723 119.914 0.020 0.000 3.182 755 V HA 0.842 4.962 4.120 -0.000 0.000 0.311 755 V C 0.939 176.965 176.094 -0.114 0.000 1.221 755 V CA -0.702 61.550 62.300 -0.079 0.000 1.060 755 V CB 0.670 32.372 31.823 -0.201 0.000 1.164 755 V HN 0.729 nan 8.190 nan 0.000 0.466 756 A N -0.695 121.999 122.820 -0.209 0.000 2.799 756 A HA -0.293 4.027 4.320 -0.000 0.000 0.274 756 A C 0.997 178.566 177.584 -0.026 0.000 1.393 756 A CA 1.817 53.760 52.037 -0.156 0.000 0.909 756 A CB -2.463 16.420 19.000 -0.194 0.000 1.012 756 A HN 1.646 nan 8.150 nan 0.000 0.653 757 Q N -4.235 115.561 119.800 -0.006 0.000 2.487 757 Q HA -0.259 4.081 4.340 -0.000 0.000 0.279 757 Q C 0.300 176.338 176.000 0.063 0.000 1.228 757 Q CA 1.111 56.930 55.803 0.026 0.000 0.873 757 Q CB -2.722 26.025 28.738 0.014 0.000 1.260 757 Q HN 2.148 nan 8.270 nan 0.000 0.471 758 C N -2.728 116.633 119.300 0.101 0.000 3.292 758 C HA 0.563 5.023 4.460 -0.000 0.000 0.369 758 C C 1.256 176.367 174.990 0.202 0.000 1.664 758 C CA -0.265 58.855 59.018 0.171 0.000 1.204 758 C CB 0.827 28.695 27.740 0.214 0.000 1.978 758 C HN 0.474 nan 8.230 nan 0.000 0.435 759 N N 0.646 119.515 118.700 0.281 0.000 2.449 759 N HA 0.030 4.770 4.740 -0.000 0.000 0.191 759 N C 0.226 175.901 175.510 0.275 0.000 1.161 759 N CA 0.067 53.273 53.050 0.260 0.000 0.863 759 N CB -0.277 38.366 38.487 0.259 0.000 0.980 759 N HN 0.893 nan 8.380 nan 0.000 0.458 760 M N 1.733 121.496 119.600 0.273 0.000 2.242 760 M HA 0.075 4.555 4.480 -0.000 0.000 0.344 760 M C 0.155 176.551 176.300 0.162 0.000 1.140 760 M CA -0.270 55.148 55.300 0.197 0.000 1.160 760 M CB 0.861 33.520 32.600 0.098 0.000 1.491 760 M HN 0.205 nan 8.290 nan 0.000 0.459 761 T N 1.160 115.816 114.554 0.170 0.000 2.899 761 T HA 0.313 4.663 4.350 -0.000 0.000 0.284 761 T C 0.739 175.565 174.700 0.211 0.000 1.004 761 T CA -0.678 61.535 62.100 0.188 0.000 1.043 761 T CB 1.128 70.091 68.868 0.157 0.000 1.013 761 T HN 0.798 nan 8.240 nan 0.000 0.518 762 K N 0.482 121.017 120.400 0.225 0.000 2.057 762 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 762 K C 1.822 178.555 176.600 0.222 0.000 1.049 762 K CA 1.577 57.988 56.287 0.207 0.000 0.931 762 K CB -0.192 32.414 32.500 0.176 0.000 0.714 762 K HN 0.600 nan 8.250 nan 0.000 0.440 763 D N 0.223 120.751 120.400 0.214 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 0.122 0.000 0.997 763 D CA 0.919 55.006 54.000 0.145 0.000 0.834 763 D CB -0.281 40.584 40.800 0.108 0.000 0.956 763 D HN 0.372 nan 8.370 nan 0.000 0.448 764 W N 0.327 121.590 121.300 -0.062 0.000 2.388 764 W HA -0.213 4.447 4.660 0.000 0.000 0.294 764 W C 2.040 178.416 176.519 -0.238 0.000 1.212 764 W CA 0.377 57.618 57.345 -0.173 0.000 1.271 764 W CB -0.410 28.920 29.460 -0.216 0.000 1.126 764 W HN -0.089 nan 8.180 nan 0.000 0.535 765 F N 1.244 121.071 119.950 -0.204 0.000 2.171 765 F HA -0.231 4.296 4.527 0.000 0.000 0.300 765 F C 2.245 177.845 175.800 -0.334 0.000 1.090 765 F CA 1.766 59.552 58.000 -0.357 0.000 1.293 765 F CB -0.985 37.842 39.000 -0.289 0.000 1.013 765 F HN -0.147 nan 8.300 nan 0.000 0.486 766 L N -0.226 120.904 121.223 -0.156 0.000 2.027 766 L HA -0.118 4.222 4.340 -0.000 0.000 0.206 766 L C 2.170 178.835 176.870 -0.341 0.000 1.074 766 L CA 1.697 56.486 54.840 -0.086 0.000 0.745 766 L CB -1.012 41.097 42.059 0.082 0.000 0.898 766 L HN 0.028 nan 8.230 nan 0.000 0.433 767 V N -0.307 119.321 119.914 -0.476 0.000 2.343 767 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 767 V C 2.676 178.316 176.094 -0.757 0.000 1.051 767 V CA 1.644 63.542 62.300 -0.669 0.000 1.036 767 V CB -0.802 30.539 31.823 -0.804 0.000 0.654 767 V HN 0.503 nan 8.190 nan 0.000 0.451 768 Q N -0.994 118.184 119.800 -1.035 0.000 2.119 768 Q HA -0.089 4.251 4.340 -0.000 0.000 0.201 768 Q C 2.231 177.791 176.000 -0.733 0.000 0.972 768 Q CA 1.254 56.397 55.803 -1.100 0.000 0.847 768 Q CB -0.419 27.251 28.738 -1.781 0.000 0.903 768 Q HN 0.463 nan 8.270 nan 0.000 0.433 769 M N -0.014 119.212 119.600 -0.623 0.000 2.175 769 M HA -0.065 4.415 4.480 -0.000 0.000 0.264 769 M C 2.269 178.456 176.300 -0.189 0.000 1.063 769 M CA 1.080 56.220 55.300 -0.268 0.000 1.119 769 M CB -0.872 31.537 32.600 -0.318 0.000 1.377 769 M HN 0.160 nan 8.290 nan 0.000 0.415 770 L N -0.411 120.656 121.223 -0.260 0.000 2.027 770 L HA -0.127 4.213 4.340 -0.000 0.000 0.206 770 L C 2.708 179.481 176.870 -0.161 0.000 1.074 770 L CA 1.156 55.891 54.840 -0.177 0.000 0.745 770 L CB -0.902 41.064 42.059 -0.154 0.000 0.898 770 L HN 0.243 nan 8.230 nan 0.000 0.433 771 A N 0.225 122.902 122.820 -0.239 0.000 1.940 771 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 771 A C 1.966 179.372 177.584 -0.296 0.000 1.176 771 A CA 2.374 54.276 52.037 -0.225 0.000 0.631 771 A CB -0.643 18.181 19.000 -0.294 0.000 0.814 771 A HN 0.483 nan 8.150 nan 0.000 0.446 772 N N -2.406 116.013 118.700 -0.468 0.000 2.336 772 N HA 0.057 4.797 4.740 -0.000 0.000 0.177 772 N C 0.552 175.551 175.510 -0.853 0.000 1.018 772 N CA 1.340 53.923 53.050 -0.778 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 -1.421 118.825 120.300 -0.091 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 -0.082 0.000 1.110 773 Y CA -0.748 57.296 58.100 -0.093 0.000 1.238 773 Y CB -0.479 37.900 38.460 -0.135 0.000 1.322 773 Y HN -0.104 nan 8.280 nan 0.000 0.547 774 N N 0.670 119.378 118.700 0.013 0.000 2.782 774 N HA -0.190 4.550 4.740 -0.000 0.000 0.251 774 N C -0.716 174.790 175.510 -0.007 0.000 1.101 774 N CA 0.340 53.400 53.050 0.017 0.000 0.764 774 N CB -1.003 37.517 38.487 0.054 0.000 1.122 774 N HN 0.261 nan 8.380 nan 0.000 0.561 775 I N -0.195 120.344 120.570 -0.053 0.000 2.353 775 I HA 0.416 4.586 4.170 -0.000 0.000 0.293 775 I C 1.394 177.369 176.117 -0.238 0.000 0.992 775 I CA 0.367 61.566 61.300 -0.167 0.000 1.268 775 I CB 1.583 39.398 38.000 -0.308 0.000 1.387 775 I HN 0.271 nan 8.210 nan 0.000 0.478 776 G N 3.950 112.526 108.800 -0.374 0.000 3.685 776 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.215 776 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.215 776 G C 0.395 174.913 174.900 -0.637 0.000 0.987 776 G CA -0.247 44.463 45.100 -0.650 0.000 0.884 776 G HN 0.461 nan 8.290 nan 0.000 0.406 777 Y N 1.347 121.535 120.300 -0.187 0.000 2.544 777 Y HA 0.381 4.931 4.550 0.000 0.000 0.286 777 Y C 2.084 177.914 175.900 -0.116 0.000 1.141 777 Y CA 1.088 59.109 58.100 -0.132 0.000 1.299 777 Y CB 0.528 38.949 38.460 -0.066 0.000 1.030 777 Y HN 0.250 nan 8.280 nan 0.000 0.543 778 Q N -0.058 119.749 119.800 0.011 0.000 2.333 778 Q HA 0.437 4.777 4.340 -0.000 0.000 0.365 778 Q C -0.075 175.942 176.000 0.029 0.000 0.882 778 Q CA -0.113 55.709 55.803 0.031 0.000 1.124 778 Q CB 1.064 29.847 28.738 0.076 0.000 1.345 778 Q HN 0.358 nan 8.270 nan 0.000 0.409 779 G N 0.511 109.245 108.800 -0.109 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 -0.140 0.000 1.215 779 G CA -1.053 44.008 45.100 -0.064 0.000 0.777 779 G HN 0.130 nan 8.290 nan 0.000 0.638 780 F N 1.428 121.439 119.950 0.101 0.000 2.436 780 F HA 0.826 5.353 4.527 0.000 0.000 0.340 780 F C 0.670 176.503 175.800 0.055 0.000 1.113 780 F CA -0.432 57.561 58.000 -0.013 0.000 1.022 780 F CB 1.588 40.672 39.000 0.139 0.000 1.128 780 F HN 0.736 nan 8.300 nan 0.000 0.466 781 Y N 0.102 120.496 120.300 0.157 0.000 2.656 781 Y HA 0.619 5.169 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 0.479 38.921 38.460 -0.030 0.000 1.308 781 Y HN 0.341 nan 8.280 nan 0.000 0.456 782 I N 4.770 125.257 120.570 -0.138 0.000 2.668 782 I HA 0.126 4.296 4.170 -0.000 0.000 0.285 782 I C -1.908 173.967 176.117 -0.404 0.000 1.168 782 I CA -1.433 59.542 61.300 -0.541 0.000 1.424 782 I CB 0.506 38.316 38.000 -0.317 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 -0.400 62.331 63.100 -0.615 0.000 0.788 783 P CB 0.568 31.497 31.700 -1.284 0.000 0.949 784 E N 0.347 120.359 120.200 -0.314 0.000 2.414 784 E HA 0.027 4.377 4.350 -0.000 0.000 0.263 784 E C 1.335 177.739 176.600 -0.328 0.000 1.000 784 E CA -0.010 56.218 56.400 -0.286 0.000 0.914 784 E CB 0.160 29.632 29.700 -0.381 0.000 0.948 784 E HN 0.301 nan 8.360 nan 0.000 0.444 785 S N 2.321 117.945 115.700 -0.126 0.000 2.381 785 S HA -0.296 4.174 4.470 -0.000 0.000 0.230 785 S C 1.776 176.367 174.600 -0.014 0.000 1.052 785 S CA 2.000 60.177 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 1.148 121.460 120.300 0.019 0.000 2.497 786 Y HA 0.163 4.713 4.550 -0.000 0.000 0.292 786 Y C 1.650 177.587 175.900 0.062 0.000 1.137 786 Y CA 0.592 58.710 58.100 0.031 0.000 1.285 786 Y CB -0.442 38.031 38.460 0.023 0.000 0.991 786 Y HN 0.087 nan 8.280 nan 0.000 0.556 787 K N -0.346 119.829 120.400 -0.375 0.000 2.352 787 K HA 0.006 4.326 4.320 -0.000 0.000 0.194 787 K C -0.137 176.535 176.600 0.121 0.000 1.038 787 K CA 0.540 56.753 56.287 -0.123 0.000 1.023 787 K CB 0.257 32.634 32.500 -0.206 0.000 0.840 787 K HN 0.117 nan 8.250 nan 0.000 0.519 788 D N 2.128 122.554 120.400 0.044 0.000 2.638 788 D HA 0.046 4.686 4.640 -0.000 0.000 0.245 788 D C -0.054 176.316 176.300 0.117 0.000 1.176 788 D CA -0.260 53.834 54.000 0.156 0.000 0.996 788 D CB 0.233 41.034 40.800 0.001 0.000 1.012 788 D HN -0.092 nan 8.370 nan 0.000 0.515 789 R N 1.110 121.685 120.500 0.125 0.000 2.828 789 R HA 0.119 4.459 4.340 -0.000 0.000 0.270 789 R C 1.543 177.850 176.300 0.012 0.000 1.244 789 R CA -0.499 55.639 56.100 0.063 0.000 1.143 789 R CB -0.325 30.022 30.300 0.078 0.000 1.128 789 R HN 0.342 nan 8.270 nan 0.000 0.587 790 M N 0.070 119.606 119.600 -0.107 0.000 2.159 790 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 790 M C 0.423 176.556 176.300 -0.277 0.000 1.063 790 M CA 1.851 56.987 55.300 -0.273 0.000 1.110 790 M CB 0.115 32.404 32.600 -0.517 0.000 1.374 790 M HN 0.420 nan 8.290 nan 0.000 0.411 791 Y N -0.163 120.176 120.300 0.065 0.000 2.571 791 Y HA 0.335 4.885 4.550 -0.000 0.000 0.275 791 Y C 0.739 176.689 175.900 0.083 0.000 1.179 791 Y CA -0.576 57.572 58.100 0.080 0.000 1.242 791 Y CB -0.361 38.144 38.460 0.075 0.000 1.126 791 Y HN 0.017 nan 8.280 nan 0.000 0.524 792 S N 0.211 116.029 115.700 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 57.657 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 1.606 121.625 119.950 0.116 0.000 2.031 793 F HA -0.079 4.448 4.527 -0.000 0.000 0.295 793 F C 1.828 177.782 175.800 0.257 0.000 1.133 793 F CA 1.373 59.451 58.000 0.131 0.000 1.188 793 F CB -0.770 38.246 39.000 0.026 0.000 0.974 793 F HN 0.647 nan 8.300 nan 0.000 0.473 794 F N 1.416 121.209 119.950 -0.261 0.000 2.065 794 F HA -0.232 4.295 4.527 0.000 0.000 0.298 794 F C 2.744 178.469 175.800 -0.125 0.000 1.112 794 F CA 2.316 60.105 58.000 -0.351 0.000 1.212 794 F CB -0.669 38.239 39.000 -0.154 0.000 0.975 794 F HN 0.018 nan 8.300 nan 0.000 0.476 795 R N 0.889 121.436 120.500 0.078 0.000 2.154 795 R HA -0.192 4.148 4.340 -0.000 0.000 0.248 795 R C 1.316 177.570 176.300 -0.076 0.000 1.155 795 R CA 2.218 58.325 56.100 0.013 0.000 0.979 795 R CB -0.712 29.634 30.300 0.077 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 -0.030 4.710 4.740 -0.000 0.000 0.201 796 N C -0.767 174.765 175.510 0.037 0.000 1.128 796 N CA -0.086 52.974 53.050 0.016 0.000 0.867 796 N CB 0.262 38.817 38.487 0.112 0.000 0.996 796 N HN 0.079 nan 8.380 nan 0.000 0.503 797 F N 3.090 122.845 119.950 -0.324 0.000 2.471 797 F HA 0.175 4.702 4.527 0.000 0.000 0.365 797 F C -0.031 175.652 175.800 -0.196 0.000 1.095 797 F CA -0.249 57.576 58.000 -0.292 0.000 1.174 797 F CB 0.530 39.128 39.000 -0.670 0.000 1.105 797 F HN -0.171 nan 8.300 nan 0.000 0.535 798 Q N 8.915 128.465 119.800 -0.416 0.000 2.674 798 Q HA 0.278 4.618 4.340 -0.000 0.000 0.249 798 Q C -2.642 173.107 176.000 -0.419 0.000 1.011 798 Q CA -1.933 53.623 55.803 -0.413 0.000 0.734 798 Q CB 1.441 30.082 28.738 -0.162 0.000 1.201 798 Q HN 0.449 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 -0.104 62.803 63.100 -0.321 0.000 0.781 799 P CB 1.071 32.542 31.700 -0.382 0.000 0.906 800 M N 1.131 120.742 119.600 0.017 0.000 2.531 800 M HA 0.440 4.920 4.480 -0.000 0.000 0.286 800 M C -0.459 176.044 176.300 0.339 0.000 1.232 800 M CA -0.364 55.012 55.300 0.127 0.000 0.877 800 M CB 2.713 35.323 32.600 0.016 0.000 1.726 800 M HN 0.195 nan 8.290 nan 0.000 0.463 801 S N 0.529 116.474 115.700 0.410 0.000 2.579 801 S HA 0.874 5.344 4.470 -0.000 0.000 0.272 801 S C -1.475 173.175 174.600 0.083 0.000 1.141 801 S CA -0.954 57.427 58.200 0.303 0.000 0.843 801 S CB 2.731 66.009 63.200 0.129 0.000 1.122 801 S HN 0.792 nan 8.310 nan 0.000 0.468 802 R N 0.612 120.953 120.500 -0.264 0.000 2.728 802 R HA 0.696 5.036 4.340 -0.000 0.000 0.274 802 R C -2.116 173.967 176.300 -0.362 0.000 1.030 802 R CA -0.957 54.876 56.100 -0.445 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 0.218 119.848 119.800 -0.283 0.000 2.351 803 Q HA 0.714 5.054 4.340 -0.000 0.000 0.273 803 Q C -1.179 174.694 176.000 -0.211 0.000 1.077 803 Q CA -0.680 54.999 55.803 -0.206 0.000 0.843 803 Q CB 2.896 31.551 28.738 -0.138 0.000 1.367 803 Q HN 0.609 nan 8.270 nan 0.000 0.449 804 V N -2.231 117.584 119.914 -0.165 0.000 3.120 804 V HA 0.697 4.817 4.120 -0.000 0.000 0.303 804 V C -0.365 175.658 176.094 -0.118 0.000 1.238 804 V CA -1.412 60.812 62.300 -0.127 0.000 1.008 804 V CB 1.221 32.977 31.823 -0.113 0.000 1.064 804 V HN 0.650 nan 8.190 nan 0.000 0.434 805 V N -0.438 119.415 119.914 -0.102 0.000 2.720 805 V HA 0.193 4.313 4.120 -0.000 0.000 0.307 805 V C 0.395 176.378 176.094 -0.184 0.000 1.071 805 V CA 0.444 62.635 62.300 -0.181 0.000 1.199 805 V CB 0.266 31.973 31.823 -0.193 0.000 0.900 805 V HN 1.056 nan 8.190 nan 0.000 0.494 806 D N 4.319 124.607 120.400 -0.186 0.000 2.374 806 D HA 0.043 4.683 4.640 -0.000 0.000 0.240 806 D C 1.102 177.256 176.300 -0.244 0.000 1.229 806 D CA -0.066 53.835 54.000 -0.165 0.000 0.895 806 D CB 0.963 41.703 40.800 -0.101 0.000 1.046 806 D HN 0.863 nan 8.370 nan 0.000 0.498 807 D N 1.566 121.712 120.400 -0.423 0.000 2.384 807 D HA -0.160 4.480 4.640 -0.000 0.000 0.222 807 D C 1.166 177.236 176.300 -0.383 0.000 0.976 807 D CA 0.630 54.143 54.000 -0.813 0.000 0.915 807 D CB -0.071 40.143 40.800 -0.977 0.000 0.896 807 D HN 0.414 nan 8.370 nan 0.000 0.523 808 T N -3.532 110.908 114.554 -0.190 0.000 3.044 808 T HA 0.254 4.604 4.350 -0.000 0.000 0.260 808 T C 1.399 176.072 174.700 -0.045 0.000 1.019 808 T CA -0.406 61.640 62.100 -0.090 0.000 0.921 808 T CB 0.357 69.185 68.868 -0.066 0.000 1.053 808 T HN 0.023 nan 8.240 nan 0.000 0.533 809 K N -0.496 119.885 120.400 -0.033 0.000 2.502 809 K HA 0.221 4.541 4.320 -0.000 0.000 0.211 809 K C -0.652 175.984 176.600 0.059 0.000 1.259 809 K CA -0.400 55.889 56.287 0.003 0.000 0.983 809 K CB 0.708 33.206 32.500 -0.004 0.000 1.054 809 K HN 0.300 nan 8.250 nan 0.000 0.572 810 Y N 3.439 123.688 120.300 -0.086 0.000 2.556 810 Y HA 0.103 4.653 4.550 -0.000 0.000 0.352 810 Y C 0.842 176.735 175.900 -0.011 0.000 1.006 810 Y CA -0.597 57.462 58.100 -0.068 0.000 1.277 810 Y CB 0.264 38.649 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 -0.289 0.000 2.077 811 K HA -0.223 4.097 4.320 -0.000 0.000 0.213 811 K C 0.578 176.933 176.600 -0.409 0.000 1.051 811 K CA 2.156 58.270 56.287 -0.289 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 -0.234 119.663 120.400 -0.837 0.000 2.319 812 D HA -0.059 4.581 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 0.024 53.689 54.000 -0.557 0.000 0.856 812 D CB -0.319 40.214 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 -0.414 0.000 2.811 813 Y HA -0.060 4.490 4.550 0.000 0.000 0.334 813 Y C 0.096 176.056 175.900 0.099 0.000 1.247 813 Y CA 0.527 58.628 58.100 0.001 0.000 1.526 813 Y CB 0.355 38.842 38.460 0.046 0.000 1.284 813 Y HN -0.153 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 -1.340 174.263 176.000 -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 -0.485 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 -0.163 55.537 55.803 -0.171 0.000 0.919 815 Q CB 0.665 29.449 28.738 0.077 0.000 1.220 815 Q HN 0.360 nan 8.270 nan 0.000 0.427 816 V N 3.640 123.542 119.914 -0.021 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 2.271 111.060 108.800 -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 0.852 175.678 174.900 -0.123 0.000 1.210 817 G CA -0.537 44.531 45.100 -0.054 0.000 0.960 817 G HN 0.740 nan 8.290 nan 0.000 0.497 818 I N -0.540 119.951 120.570 -0.132 0.000 2.236 818 I HA -0.218 3.952 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 1.098 62.316 61.300 -0.136 0.000 1.365 818 I CB -0.990 36.951 38.000 -0.098 0.000 1.051 818 I HN 0.363 nan 8.210 nan 0.000 0.420 819 L N -0.264 120.854 121.223 -0.174 0.000 2.129 819 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 819 L C 1.684 178.294 176.870 -0.433 0.000 1.087 819 L CA 1.809 56.462 54.840 -0.311 0.000 0.757 819 L CB -0.710 41.089 42.059 -0.434 0.000 0.896 819 L HN 0.467 nan 8.230 nan 0.000 0.434 820 H N -2.592 116.496 119.070 0.029 0.000 2.785 820 H HA 0.232 4.788 4.556 -0.000 0.000 0.268 820 H C -0.126 175.192 175.328 -0.018 0.000 1.153 820 H CA -0.359 55.707 56.048 0.029 0.000 1.111 820 H CB 0.387 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 1.369 121.160 119.800 -0.014 0.000 2.243 821 Q HA 0.298 4.638 4.340 -0.000 0.000 0.252 821 Q C -0.655 175.371 176.000 0.045 0.000 0.909 821 Q CA -0.669 55.061 55.803 -0.120 0.000 0.922 821 Q CB 1.158 29.688 28.738 -0.346 0.000 1.215 821 Q HN 0.528 nan 8.270 nan 0.000 0.427 822 H N -0.345 118.765 119.070 0.067 0.000 2.840 822 H HA 0.566 5.122 4.556 0.000 0.000 0.340 822 H C -1.461 173.923 175.328 0.094 0.000 1.004 822 H CA -0.954 55.147 56.048 0.090 0.000 1.288 822 H CB 1.091 30.891 29.762 0.063 0.000 1.607 822 H HN 0.430 nan 8.280 nan 0.000 0.522 823 N N 3.142 121.988 118.700 0.244 0.000 2.519 823 N HA 0.182 4.922 4.740 -0.000 0.000 0.291 823 N C -0.741 174.935 175.510 0.277 0.000 1.107 823 N CA -0.377 52.777 53.050 0.173 0.000 0.904 823 N CB 0.910 39.352 38.487 -0.076 0.000 1.500 823 N HN 0.869 nan 8.380 nan 0.000 0.510 824 N N 0.220 119.096 118.700 0.293 0.000 2.882 824 N HA -0.157 4.583 4.740 -0.000 0.000 0.249 824 N C -0.670 175.047 175.510 0.345 0.000 1.079 824 N CA 1.046 54.331 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 0.735 nan 8.380 nan 0.000 0.557 825 S N -0.887 114.942 115.700 0.215 0.000 2.552 825 S HA 0.394 4.864 4.470 -0.000 0.000 0.289 825 S C 1.628 176.107 174.600 -0.202 0.000 1.304 825 S CA 0.986 59.208 58.200 0.036 0.000 1.063 825 S CB 1.533 64.725 63.200 -0.013 0.000 0.848 825 S HN 1.030 nan 8.310 nan 0.000 0.499 826 G N 1.980 110.603 108.800 -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 0.242 174.751 174.900 -0.652 0.000 1.010 826 G CA 0.370 45.130 45.100 -0.565 0.000 0.618 826 G HN 0.779 nan 8.290 nan 0.000 0.516 827 F N 0.542 120.500 119.950 0.013 0.000 2.706 827 F HA 0.611 5.138 4.527 -0.000 0.000 0.308 827 F C 0.983 176.784 175.800 0.001 0.000 1.095 827 F CA -0.193 57.812 58.000 0.008 0.000 1.244 827 F CB 0.851 39.864 39.000 0.022 0.000 1.063 827 F HN 0.156 nan 8.300 nan 0.000 0.582 828 V N -0.932 119.054 119.914 0.121 0.000 3.126 828 V HA 0.766 4.886 4.120 -0.000 0.000 0.314 828 V C 0.522 176.627 176.094 0.020 0.000 1.138 828 V CA -1.222 61.120 62.300 0.069 0.000 1.034 828 V CB 1.506 33.389 31.823 0.098 0.000 1.075 828 V HN 0.077 nan 8.190 nan 0.000 0.442 829 G N -0.576 108.217 108.800 -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 -0.145 44.944 45.100 -0.018 0.000 0.896 829 G HN 0.684 nan 8.290 nan 0.000 0.536 830 Y N 1.019 121.271 120.300 -0.079 0.000 2.367 830 Y HA 0.365 4.915 4.550 0.000 0.000 0.342 830 Y C 1.051 176.929 175.900 -0.037 0.000 0.979 830 Y CA -0.961 57.103 58.100 -0.060 0.000 1.161 830 Y CB 0.333 38.745 38.460 -0.079 0.000 1.155 830 Y HN 0.463 nan 8.280 nan 0.000 0.503 831 L N 4.195 125.182 121.223 -0.393 0.000 3.976 831 L HA -0.341 3.999 4.340 -0.000 0.000 0.418 831 L C -0.214 176.609 176.870 -0.078 0.000 1.177 831 L CA 0.788 55.416 54.840 -0.354 0.000 0.968 831 L CB -2.053 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 -1.243 121.537 122.820 -0.067 0.000 2.601 832 A HA 0.728 5.048 4.320 -0.000 0.000 0.291 832 A C -2.464 175.041 177.584 -0.131 0.000 1.075 832 A CA -0.637 51.373 52.037 -0.047 0.000 0.671 832 A CB 1.213 20.211 19.000 -0.003 0.000 1.277 832 A HN -0.085 nan 8.150 nan 0.000 0.417 833 P HA 0.133 nan 4.420 nan 0.000 0.243 833 P C 0.344 177.513 177.300 -0.219 0.000 1.668 833 P CA 0.493 63.393 63.100 -0.333 0.000 0.898 833 P CB -0.580 30.831 31.700 -0.481 0.000 1.637 834 T N -3.982 110.475 114.554 -0.161 0.000 2.892 834 T HA 0.410 4.760 4.350 -0.000 0.000 0.280 834 T C 0.599 175.211 174.700 -0.146 0.000 1.004 834 T CA -1.106 60.903 62.100 -0.152 0.000 0.950 834 T CB 0.486 69.256 68.868 -0.163 0.000 1.309 834 T HN -0.010 nan 8.240 nan 0.000 0.592 835 M N 1.805 121.309 119.600 -0.159 0.000 2.245 835 M HA 0.109 4.589 4.480 -0.000 0.000 0.335 835 M C 0.337 176.572 176.300 -0.109 0.000 1.155 835 M CA -0.490 54.731 55.300 -0.132 0.000 1.055 835 M CB 0.418 32.929 32.600 -0.150 0.000 1.670 835 M HN 0.770 nan 8.290 nan 0.000 0.447 836 R N 3.564 124.021 120.500 -0.073 0.000 2.734 836 R HA 0.221 4.561 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 56.117 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 -0.353 119.788 120.200 -0.099 0.000 2.447 837 E HA 0.584 4.934 4.350 -0.000 0.000 0.279 837 E C -0.434 176.070 176.600 -0.161 0.000 1.053 837 E CA -1.065 55.260 56.400 -0.126 0.000 0.840 837 E CB 0.986 30.617 29.700 -0.115 0.000 1.409 837 E HN 0.895 nan 8.360 nan 0.000 0.461 838 G N 0.553 109.242 108.800 -0.185 0.000 2.548 838 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.208 838 G HA3 -0.029 3.931 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 -0.058 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 -0.989 118.649 119.800 -0.269 0.000 2.416 839 Q HA 0.783 5.123 4.340 -0.000 0.000 0.281 839 Q C -0.053 175.807 176.000 -0.235 0.000 1.067 839 Q CA -0.370 55.282 55.803 -0.252 0.000 0.809 839 Q CB 1.905 30.525 28.738 -0.197 0.000 1.418 839 Q HN 2.223 nan 8.270 nan 0.000 0.411 840 A N 1.611 124.308 122.820 -0.204 0.000 2.507 840 A HA 0.458 4.778 4.320 -0.000 0.000 0.235 840 A C -1.126 176.569 177.584 0.184 0.000 1.070 840 A CA 0.468 52.490 52.037 -0.025 0.000 0.768 840 A CB 0.049 19.119 19.000 0.117 0.000 1.011 840 A HN 0.671 nan 8.150 nan 0.000 0.502 841 Y N 0.311 120.617 120.300 0.010 0.000 2.643 841 Y HA 0.331 4.881 4.550 -0.000 0.000 0.347 841 Y C -2.446 173.501 175.900 0.078 0.000 1.208 841 Y CA -1.324 56.774 58.100 -0.003 0.000 1.245 841 Y CB 1.289 39.673 38.460 -0.126 0.000 1.369 841 Y HN 0.663 nan 8.280 nan 0.000 0.487 842 P HA 0.300 nan 4.420 nan 0.000 0.264 842 P C -0.664 176.749 177.300 0.187 0.000 1.183 842 P CA 0.141 63.230 63.100 -0.019 0.000 0.763 842 P CB 0.706 32.317 31.700 -0.148 0.000 0.807 843 A N 3.301 126.197 122.820 0.126 0.000 2.386 843 A HA 0.155 4.475 4.320 -0.000 0.000 0.248 843 A C 1.148 178.699 177.584 -0.055 0.000 1.082 843 A CA -0.320 51.770 52.037 0.089 0.000 0.789 843 A CB -0.127 18.861 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 -0.761 174.634 175.510 -0.192 0.000 1.182 844 N CA -0.075 52.815 53.050 -0.267 0.000 0.882 844 N CB 0.310 38.533 38.487 -0.441 0.000 1.052 844 N HN 0.418 nan 8.380 nan 0.000 0.519 845 F N 0.943 120.662 119.950 -0.385 0.000 2.650 845 F HA 0.601 5.128 4.527 -0.000 0.000 0.310 845 F C -2.883 172.646 175.800 -0.453 0.000 1.112 845 F CA -1.477 56.286 58.000 -0.394 0.000 0.986 845 F CB 2.157 40.979 39.000 -0.297 0.000 1.285 845 F HN -0.198 nan 8.300 nan 0.000 0.440 846 P HA 0.279 nan 4.420 nan 0.000 0.287 846 P C -1.425 175.492 177.300 -0.639 0.000 1.296 846 P CA -0.317 61.970 63.100 -1.355 0.000 0.811 846 P CB 1.256 32.254 31.700 -1.169 0.000 1.211 847 Y N -0.176 119.891 120.300 -0.388 0.000 2.411 847 Y HA 0.200 4.750 4.550 -0.000 0.000 0.333 847 Y C -1.443 174.334 175.900 -0.205 0.000 1.186 847 Y CA -1.263 56.710 58.100 -0.212 0.000 1.381 847 Y CB -0.991 37.373 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 -0.021 177.241 177.300 -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 0.300 4.640 4.340 -0.000 0.000 0.230 849 L C 0.932 177.762 176.870 -0.066 0.000 1.123 849 L CA 0.094 54.884 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 0.387 nan 8.230 nan 0.000 0.484 850 I N -4.055 116.485 120.570 -0.050 0.000 3.042 850 I HA 0.896 5.066 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 1.788 39.771 38.000 -0.029 0.000 1.228 850 I HN 0.045 nan 8.210 nan 0.000 0.443 851 G N 3.268 112.054 108.800 -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 -0.015 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 -0.008 0.000 2.097 852 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 852 K C 2.999 179.600 176.600 0.002 0.000 1.049 852 K CA 2.301 58.588 56.287 -0.001 0.000 0.933 852 K CB -0.447 32.055 32.500 0.003 0.000 0.717 852 K HN 0.796 nan 8.250 nan 0.000 0.442 853 T N -0.068 114.486 114.554 -0.000 0.000 2.788 853 T HA -0.047 4.303 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 0.555 62.658 62.100 0.005 0.000 1.139 853 T CB -0.428 68.442 68.868 0.003 0.000 0.867 853 T HN 0.182 nan 8.240 nan 0.000 0.454 854 A N 2.585 125.382 122.820 -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 -0.045 51.946 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 1.068 nan 8.150 nan 0.000 0.511 855 V N 1.848 121.616 119.914 -0.242 0.000 2.834 855 V HA 0.318 4.438 4.120 -0.000 0.000 0.301 855 V C 0.048 175.941 176.094 -0.334 0.000 1.066 855 V CA -1.033 60.971 62.300 -0.493 0.000 1.052 855 V CB 0.961 32.239 31.823 -0.908 0.000 1.021 855 V HN 0.788 nan 8.190 nan 0.000 0.480 856 D N 3.590 123.822 120.400 -0.281 0.000 2.487 856 D HA 0.231 4.871 4.640 -0.000 0.000 0.243 856 D C 0.409 176.608 176.300 -0.168 0.000 1.154 856 D CA 0.822 54.748 54.000 -0.124 0.000 0.876 856 D CB 0.972 41.771 40.800 -0.002 0.000 1.161 856 D HN 1.014 nan 8.370 nan 0.000 0.478 857 S N 2.027 117.652 115.700 -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 65.334 63.200 -0.123 0.000 1.127 857 S HN 0.473 nan 8.310 nan 0.000 0.511 858 I N 0.451 120.963 120.570 -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 -0.380 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 5.624 120.142 114.554 -0.060 0.000 2.867 859 T HA 0.431 4.781 4.350 -0.000 0.000 0.282 859 T C -0.908 173.769 174.700 -0.039 0.000 1.000 859 T CA -0.474 61.588 62.100 -0.063 0.000 1.042 859 T CB 1.266 70.114 68.868 -0.032 0.000 0.973 859 T HN 0.498 nan 8.240 nan 0.000 0.465 860 Q N 1.876 121.638 119.800 -0.063 0.000 2.337 860 Q HA 0.528 4.868 4.340 -0.000 0.000 0.270 860 Q C -0.879 175.224 176.000 0.172 0.000 1.043 860 Q CA -0.792 55.032 55.803 0.036 0.000 0.794 860 Q CB 2.776 31.511 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 0.535 4.855 4.320 -0.000 0.000 0.251 861 K C -0.992 175.781 176.600 0.288 0.000 0.934 861 K CA -0.488 55.973 56.287 0.290 0.000 0.802 861 K CB 1.740 34.355 32.500 0.192 0.000 1.171 861 K HN 0.627 nan 8.250 nan 0.000 0.426 862 K N 0.806 121.352 120.400 0.243 0.000 2.544 862 K HA 0.514 4.834 4.320 -0.000 0.000 0.282 862 K C -1.536 175.166 176.600 0.171 0.000 1.020 862 K CA -0.948 55.421 56.287 0.136 0.000 0.830 862 K CB 1.069 33.526 32.500 -0.072 0.000 1.521 862 K HN 0.421 nan 8.250 nan 0.000 0.376 863 F N -1.138 118.820 119.950 0.012 0.000 2.741 863 F HA 0.713 5.240 4.527 0.000 0.000 0.311 863 F C -2.373 173.436 175.800 0.016 0.000 1.149 863 F CA -1.170 56.828 58.000 -0.003 0.000 0.930 863 F CB 1.036 40.136 39.000 0.166 0.000 1.312 863 F HN 0.354 nan 8.300 nan 0.000 0.450 864 L N 1.908 123.216 121.223 0.141 0.000 2.341 864 L HA 0.747 5.087 4.340 -0.000 0.000 0.267 864 L C -0.957 176.187 176.870 0.457 0.000 1.009 864 L CA -0.741 54.130 54.840 0.052 0.000 0.819 864 L CB 2.016 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 2.095 121.653 119.300 0.430 0.000 3.166 865 C HA 0.342 4.802 4.460 -0.000 0.000 0.277 865 C C -0.688 174.468 174.990 0.278 0.000 0.984 865 C CA -0.843 58.430 59.018 0.426 0.000 1.142 865 C CB -0.961 27.162 27.740 0.639 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 0.228 4.868 4.640 -0.000 0.000 0.242 866 D C 0.981 177.508 176.300 0.378 0.000 1.218 866 D CA 0.134 54.368 54.000 0.390 0.000 0.945 866 D CB 0.437 41.539 40.800 0.503 0.000 1.137 866 D HN 0.726 nan 8.370 nan 0.000 0.464 867 R N -1.765 119.033 120.500 0.496 0.000 3.484 867 R HA -0.238 4.102 4.340 -0.000 0.000 0.260 867 R C -0.668 175.917 176.300 0.476 0.000 1.053 867 R CA 0.961 57.362 56.100 0.502 0.000 0.703 867 R CB -2.547 28.039 30.300 0.476 0.000 1.089 867 R HN 0.354 nan 8.270 nan 0.000 0.459 868 T N -0.281 114.453 114.554 0.299 0.000 2.865 868 T HA 0.717 5.067 4.350 -0.000 0.000 0.294 868 T C -0.999 173.592 174.700 -0.181 0.000 1.119 868 T CA -0.865 61.305 62.100 0.117 0.000 1.007 868 T CB 1.401 70.309 68.868 0.067 0.000 1.225 868 T HN 0.270 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 -0.616 175.988 176.870 -0.443 0.000 1.006 869 L CA -0.972 53.562 54.840 -0.509 0.000 0.817 869 L CB 1.760 43.545 42.059 -0.456 0.000 1.272 869 L HN 0.716 nan 8.230 nan 0.000 0.421 870 W N 2.769 123.704 121.300 -0.607 0.000 2.181 870 W HA 0.339 4.999 4.660 -0.000 0.000 0.335 870 W C 0.243 176.369 176.519 -0.656 0.000 1.310 870 W CA -0.505 56.429 57.345 -0.685 0.000 1.226 870 W CB 0.611 29.314 29.460 -1.262 0.000 1.155 870 W HN 0.287 nan 8.180 nan 0.000 0.565 871 R N 3.188 123.566 120.500 -0.205 0.000 2.628 871 R HA 0.569 4.909 4.340 -0.000 0.000 0.288 871 R C -1.048 175.133 176.300 -0.198 0.000 0.980 871 R CA -0.955 55.028 56.100 -0.195 0.000 0.891 871 R CB 1.873 32.038 30.300 -0.224 0.000 1.188 871 R HN 0.435 nan 8.270 nan 0.000 0.450 872 I N 4.198 124.779 120.570 0.018 0.000 2.583 872 I HA 0.264 4.434 4.170 -0.000 0.000 0.276 872 I C -2.296 174.043 176.117 0.369 0.000 1.089 872 I CA -2.082 59.281 61.300 0.104 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 0.056 nan 4.420 nan 0.000 0.275 873 P C -0.483 177.121 177.300 0.507 0.000 1.228 873 P CA -0.258 63.005 63.100 0.271 0.000 0.786 873 P CB 1.014 32.822 31.700 0.180 0.000 0.927 874 F N 2.432 122.374 119.950 -0.014 0.000 2.640 874 F HA 0.299 4.826 4.527 -0.000 0.000 0.354 874 F C 0.351 176.205 175.800 0.089 0.000 1.213 874 F CA -0.146 57.837 58.000 -0.028 0.000 1.314 874 F CB -0.595 38.133 39.000 -0.454 0.000 1.679 874 F HN 0.119 nan 8.300 nan 0.000 0.622 875 S N 0.713 116.530 115.700 0.194 0.000 2.538 875 S HA 0.326 4.796 4.470 -0.000 0.000 0.288 875 S C 0.964 175.522 174.600 -0.070 0.000 1.108 875 S CA -0.511 57.706 58.200 0.029 0.000 0.971 875 S CB 1.612 64.856 63.200 0.075 0.000 1.041 875 S HN 0.318 nan 8.310 nan 0.000 0.483 876 S N 3.079 118.703 115.700 -0.126 0.000 2.420 876 S HA -0.139 4.330 4.470 -0.000 0.000 0.237 876 S C 1.238 175.646 174.600 -0.321 0.000 1.023 876 S CA 1.904 59.986 58.200 -0.197 0.000 0.991 876 S CB -0.404 62.716 63.200 -0.133 0.000 0.792 876 S HN 0.882 nan 8.310 nan 0.000 0.488 877 N N -0.788 117.774 118.700 -0.229 0.000 2.197 877 N HA 0.213 4.953 4.740 -0.000 0.000 0.228 877 N C 0.203 175.742 175.510 0.047 0.000 1.212 877 N CA -0.360 52.603 53.050 -0.145 0.000 0.883 877 N CB -0.853 37.611 38.487 -0.038 0.000 1.107 877 N HN 0.342 nan 8.380 nan 0.000 0.519 878 F N -1.240 118.791 119.950 0.135 0.000 2.825 878 F HA -0.307 4.220 4.527 0.000 0.000 0.358 878 F C 0.456 176.285 175.800 0.048 0.000 0.639 878 F CA 0.528 58.591 58.000 0.105 0.000 1.153 878 F CB -1.460 37.581 39.000 0.069 0.000 1.610 878 F HN 0.083 nan 8.300 nan 0.000 0.305 879 M N 0.072 119.793 119.600 0.203 0.000 2.283 879 M HA 0.303 4.783 4.480 -0.000 0.000 0.314 879 M C 0.606 176.947 176.300 0.068 0.000 1.153 879 M CA 0.005 55.379 55.300 0.125 0.000 1.084 879 M CB 0.931 33.614 32.600 0.139 0.000 1.468 879 M HN -0.089 nan 8.290 nan 0.000 0.474 880 S N 2.189 117.911 115.700 0.036 0.000 2.411 880 S HA 0.407 4.877 4.470 -0.000 0.000 0.294 880 S C 0.214 174.827 174.600 0.022 0.000 1.115 880 S CA -0.418 57.790 58.200 0.013 0.000 1.071 880 S CB 0.289 63.483 63.200 -0.010 0.000 0.967 880 S HN 0.651 nan 8.310 nan 0.000 0.488 881 M N 2.387 121.998 119.600 0.019 0.000 2.504 881 M HA 0.327 4.807 4.480 -0.000 0.000 0.370 881 M C 0.513 176.824 176.300 0.018 0.000 1.110 881 M CA -0.202 55.109 55.300 0.019 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 -0.171 108.640 108.800 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 0.095 175.019 174.900 0.039 0.000 1.603 882 G CA -0.498 44.619 45.100 0.029 0.000 0.961 882 G HN 0.098 nan 8.290 nan 0.000 0.686 883 A N 0.624 123.482 122.820 0.062 0.000 1.892 883 A HA 0.083 4.403 4.320 -0.000 0.000 0.218 883 A C 1.570 179.291 177.584 0.229 0.000 1.188 883 A CA 1.443 53.534 52.037 0.089 0.000 0.631 883 A CB -0.446 18.654 19.000 0.167 0.000 0.822 883 A HN 1.098 nan 8.150 nan 0.000 0.447 884 L N 2.241 123.637 121.223 0.289 0.000 2.334 884 L HA 0.176 4.516 4.340 -0.000 0.000 0.286 884 L C 0.918 177.859 176.870 0.118 0.000 1.108 884 L CA -0.460 54.534 54.840 0.257 0.000 0.875 884 L CB 0.107 42.212 42.059 0.077 0.000 1.246 884 L HN 0.465 nan 8.230 nan 0.000 0.439 885 T N -2.345 112.269 114.554 0.100 0.000 2.795 885 T HA -0.030 4.320 4.350 -0.000 0.000 0.314 885 T C 1.151 175.862 174.700 0.018 0.000 1.069 885 T CA -0.206 61.917 62.100 0.038 0.000 1.071 885 T CB 0.869 69.748 68.868 0.018 0.000 0.988 885 T HN 0.655 nan 8.240 nan 0.000 0.543 886 D N 1.226 121.618 120.400 -0.014 0.000 2.117 886 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 886 D C 2.073 178.349 176.300 -0.040 0.000 0.982 886 D CA 1.111 55.099 54.000 -0.020 0.000 0.828 886 D CB -0.607 40.176 40.800 -0.029 0.000 0.967 886 D HN 0.568 nan 8.370 nan 0.000 0.464 887 L N 0.390 121.529 121.223 -0.139 0.000 2.141 887 L HA 0.066 4.406 4.340 -0.000 0.000 0.209 887 L C 2.674 179.405 176.870 -0.232 0.000 1.094 887 L CA 1.183 55.854 54.840 -0.281 0.000 0.763 887 L CB -0.679 40.850 42.059 -0.884 0.000 0.908 887 L HN 0.199 nan 8.230 nan 0.000 0.437 888 G N -0.744 108.027 108.800 -0.048 0.000 2.470 888 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.220 888 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.220 888 G C 1.366 176.326 174.900 0.100 0.000 1.121 888 G CA 0.319 45.472 45.100 0.088 0.000 0.766 888 G HN 0.446 nan 8.290 nan 0.000 0.553 889 Q N -0.482 119.367 119.800 0.081 0.000 2.179 889 Q HA 0.138 4.478 4.340 -0.000 0.000 0.213 889 Q C 0.040 176.117 176.000 0.128 0.000 0.833 889 Q CA -0.494 55.366 55.803 0.095 0.000 0.990 889 Q CB 0.387 29.156 28.738 0.052 0.000 1.132 889 Q HN 0.423 nan 8.270 nan 0.000 0.493 890 N N 0.601 119.422 118.700 0.202 0.000 2.497 890 N HA 0.026 4.766 4.740 -0.000 0.000 0.268 890 N C 0.865 176.516 175.510 0.236 0.000 1.171 890 N CA -0.034 53.156 53.050 0.234 0.000 0.948 890 N CB 0.633 39.339 38.487 0.366 0.000 1.069 890 N HN 0.139 nan 8.380 nan 0.000 0.460 891 L N 2.895 124.196 121.223 0.131 0.000 2.189 891 L HA -0.195 4.145 4.340 -0.000 0.000 0.214 891 L C 2.038 178.966 176.870 0.097 0.000 1.097 891 L CA 0.562 55.464 54.840 0.102 0.000 0.764 891 L CB -0.477 41.617 42.059 0.058 0.000 0.900 891 L HN 0.675 nan 8.230 nan 0.000 0.436 892 L N -1.015 120.239 121.223 0.053 0.000 2.079 892 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 892 L C 2.232 179.089 176.870 -0.023 0.000 1.081 892 L CA 1.911 56.718 54.840 -0.055 0.000 0.752 892 L CB -0.539 41.371 42.059 -0.248 0.000 0.896 892 L HN 0.105 nan 8.230 nan 0.000 0.433 893 Y N -0.643 119.746 120.300 0.149 0.000 2.163 893 Y HA 0.102 4.652 4.550 -0.000 0.000 0.288 893 Y C 2.594 178.620 175.900 0.210 0.000 1.112 893 Y CA 1.300 59.539 58.100 0.232 0.000 1.104 893 Y CB -1.166 37.443 38.460 0.248 0.000 1.016 893 Y HN 0.189 nan 8.280 nan 0.000 0.497 894 A N 0.640 123.656 122.820 0.326 0.000 1.902 894 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 894 A C 1.888 179.546 177.584 0.124 0.000 1.181 894 A CA 2.066 54.219 52.037 0.193 0.000 0.623 894 A CB -0.817 18.271 19.000 0.147 0.000 0.818 894 A HN 0.465 nan 8.150 nan 0.000 0.443 895 N N 0.037 118.803 118.700 0.110 0.000 2.223 895 N HA -0.049 4.691 4.740 -0.000 0.000 0.185 895 N C 0.484 176.015 175.510 0.036 0.000 1.016 895 N CA 1.297 54.384 53.050 0.061 0.000 0.863 895 N CB -0.173 38.345 38.487 0.051 0.000 0.983 895 N HN 0.627 nan 8.380 nan 0.000 0.429 896 S N -2.019 113.709 115.700 0.047 0.000 2.543 896 S HA 0.793 5.263 4.470 -0.000 0.000 0.274 896 S C -0.766 173.740 174.600 -0.156 0.000 1.149 896 S CA -0.736 57.419 58.200 -0.075 0.000 0.866 896 S CB 1.765 64.890 63.200 -0.126 0.000 1.111 896 S HN 0.201 nan 8.310 nan 0.000 0.457 897 A N 1.476 124.115 122.820 -0.301 0.000 2.378 897 A HA 1.022 5.342 4.320 -0.000 0.000 0.293 897 A C -0.707 176.413 177.584 -0.772 0.000 1.250 897 A CA -0.465 51.503 52.037 -0.115 0.000 0.915 897 A CB 0.166 19.210 19.000 0.073 0.000 1.402 897 A HN 1.315 nan 8.150 nan 0.000 0.502 898 H N -2.755 116.537 119.070 0.370 0.000 3.093 898 H HA 0.526 5.082 4.556 -0.000 0.000 0.312 898 H C -0.474 175.108 175.328 0.422 0.000 1.213 898 H CA -0.347 55.879 56.048 0.298 0.000 1.366 898 H CB 0.467 30.358 29.762 0.214 0.000 1.998 898 H HN 0.908 nan 8.280 nan 0.000 0.522 899 A N 1.861 124.911 122.820 0.384 0.000 2.488 899 A HA 0.426 4.746 4.320 -0.000 0.000 0.249 899 A C -0.265 177.463 177.584 0.241 0.000 1.083 899 A CA -0.166 52.050 52.037 0.299 0.000 0.768 899 A CB -0.098 19.007 19.000 0.176 0.000 1.017 899 A HN 0.551 nan 8.150 nan 0.000 0.496 900 L N 2.481 123.832 121.223 0.213 0.000 2.309 900 L HA 0.598 4.938 4.340 -0.000 0.000 0.282 900 L C -0.965 175.900 176.870 -0.009 0.000 1.036 900 L CA -0.079 54.730 54.840 -0.051 0.000 0.806 900 L CB 1.525 43.532 42.059 -0.086 0.000 1.220 900 L HN 0.631 nan 8.230 nan 0.000 0.429 901 D N 5.670 126.004 120.400 -0.111 0.000 2.646 901 D HA 0.495 5.135 4.640 -0.000 0.000 0.245 901 D C -0.859 175.357 176.300 -0.140 0.000 1.099 901 D CA -0.081 53.879 54.000 -0.067 0.000 0.849 901 D CB 2.261 43.034 40.800 -0.045 0.000 1.448 901 D HN 0.526 nan 8.370 nan 0.000 0.489 902 M N 0.798 120.328 119.600 -0.117 0.000 2.457 902 M HA 0.328 4.808 4.480 -0.000 0.000 0.300 902 M C -1.102 175.090 176.300 -0.180 0.000 1.141 902 M CA -0.456 54.704 55.300 -0.233 0.000 0.901 902 M CB 2.687 35.159 32.600 -0.213 0.000 1.687 902 M HN 0.092 nan 8.290 nan 0.000 0.449 903 T N 3.183 117.551 114.554 -0.311 0.000 2.906 903 T HA 0.560 4.910 4.350 -0.000 0.000 0.302 903 T C -1.161 173.361 174.700 -0.296 0.000 1.002 903 T CA -0.360 61.635 62.100 -0.176 0.000 0.988 903 T CB 0.428 69.220 68.868 -0.126 0.000 0.972 903 T HN 0.265 nan 8.240 nan 0.000 0.447 904 F N 1.966 121.823 119.950 -0.155 0.000 2.421 904 F HA 0.530 5.057 4.527 -0.000 0.000 0.337 904 F C 0.773 176.520 175.800 -0.088 0.000 1.105 904 F CA -1.095 56.827 58.000 -0.130 0.000 1.049 904 F CB 1.364 40.306 39.000 -0.096 0.000 1.139 904 F HN 0.454 nan 8.300 nan 0.000 0.479 905 E N 3.014 123.265 120.200 0.085 0.000 2.176 905 E HA 0.651 5.001 4.350 -0.000 0.000 0.267 905 E C -1.501 175.102 176.600 0.005 0.000 0.893 905 E CA -0.742 55.669 56.400 0.019 0.000 0.761 905 E CB 1.616 31.303 29.700 -0.023 0.000 1.133 905 E HN 0.532 nan 8.360 nan 0.000 0.409 906 V N 0.565 120.441 119.914 -0.062 0.000 3.141 906 V HA 0.545 4.665 4.120 -0.000 0.000 0.312 906 V C -0.646 175.376 176.094 -0.120 0.000 1.157 906 V CA -1.116 61.089 62.300 -0.159 0.000 1.041 906 V CB 1.871 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 3.136 123.452 120.400 -0.140 0.000 2.389 907 D HA 0.386 5.026 4.640 -0.000 0.000 0.247 907 D C -2.368 173.879 176.300 -0.089 0.000 1.128 907 D CA -0.881 53.066 54.000 -0.089 0.000 0.884 907 D CB 1.148 41.898 40.800 -0.083 0.000 1.194 907 D HN 0.654 nan 8.370 nan 0.000 0.441 908 P HA 0.179 nan 4.420 nan 0.000 0.275 908 P C -0.657 176.625 177.300 -0.030 0.000 1.227 908 P CA -0.260 62.816 63.100 -0.040 0.000 0.781 908 P CB 0.930 32.618 31.700 -0.020 0.000 0.906 909 M N 2.013 121.595 119.600 -0.030 0.000 2.395 909 M HA 0.170 4.650 4.480 -0.000 0.000 0.307 909 M C 0.148 176.447 176.300 -0.001 0.000 1.091 909 M CA -0.608 54.686 55.300 -0.011 0.000 0.919 909 M CB 1.997 34.582 32.600 -0.025 0.000 1.662 909 M HN 0.248 nan 8.290 nan 0.000 0.440 910 D N 0.830 121.240 120.400 0.016 0.000 2.494 910 D HA 0.012 4.652 4.640 -0.000 0.000 0.249 910 D C -0.298 176.008 176.300 0.010 0.000 1.223 910 D CA 0.063 54.072 54.000 0.016 0.000 0.865 910 D CB -0.151 40.666 40.800 0.029 0.000 0.974 910 D HN 0.637 nan 8.370 nan 0.000 0.491 911 E N -1.840 118.362 120.200 0.002 0.000 2.390 911 E HA 0.398 4.748 4.350 -0.000 0.000 0.280 911 E C -3.259 173.334 176.600 -0.012 0.000 0.992 911 E CA -2.455 53.943 56.400 -0.003 0.000 0.790 911 E CB 0.942 30.645 29.700 0.004 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 -0.639 176.649 177.300 -0.021 0.000 1.195 912 P CA 0.472 63.560 63.100 -0.021 0.000 0.762 912 P CB 0.703 32.387 31.700 -0.025 0.000 0.799 913 T N 0.922 115.463 114.554 -0.022 0.000 2.773 913 T HA 0.805 5.155 4.350 -0.000 0.000 0.278 913 T C -0.793 173.902 174.700 -0.008 0.000 1.011 913 T CA -0.902 61.185 62.100 -0.021 0.000 1.014 913 T CB 0.884 69.726 68.868 -0.044 0.000 1.293 913 T HN 0.111 nan 8.240 nan 0.000 0.554 914 L N 0.646 121.875 121.223 0.011 0.000 2.455 914 L HA 0.572 4.912 4.340 -0.000 0.000 0.264 914 L C -1.387 175.539 176.870 0.094 0.000 0.968 914 L CA -1.214 53.652 54.840 0.044 0.000 0.827 914 L CB 2.283 44.359 42.059 0.029 0.000 1.317 914 L HN 0.603 nan 8.230 nan 0.000 0.407 915 L N 3.082 124.374 121.223 0.116 0.000 2.260 915 L HA 0.306 4.646 4.340 -0.000 0.000 0.289 915 L C -0.981 176.058 176.870 0.281 0.000 1.057 915 L CA 0.300 55.216 54.840 0.127 0.000 0.811 915 L CB 0.407 42.430 42.059 -0.059 0.000 1.184 915 L HN 0.493 nan 8.230 nan 0.000 0.429 916 Y N 5.881 126.272 120.300 0.151 0.000 2.434 916 Y HA 0.590 5.140 4.550 -0.000 0.000 0.341 916 Y C -0.974 175.019 175.900 0.156 0.000 0.965 916 Y CA -1.137 57.070 58.100 0.179 0.000 1.205 916 Y CB 1.037 39.620 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 4.389 4.120 -0.000 0.000 0.291 917 V C -0.339 175.783 176.094 0.046 0.000 1.024 917 V CA -0.880 61.482 62.300 0.103 0.000 0.861 917 V CB 1.536 33.418 31.823 0.099 0.000 0.985 917 V HN 0.624 nan 8.190 nan 0.000 0.436 918 L N 5.228 126.350 121.223 -0.168 0.000 2.265 918 L HA 0.513 4.853 4.340 -0.000 0.000 0.289 918 L C -0.681 176.101 176.870 -0.147 0.000 1.033 918 L CA 0.019 54.790 54.840 -0.114 0.000 0.814 918 L CB 0.943 42.863 42.059 -0.232 0.000 1.203 918 L HN 0.520 nan 8.230 nan 0.000 0.423 919 F N 2.045 121.984 119.950 -0.019 0.000 2.335 919 F HA 0.235 4.761 4.527 -0.000 0.000 0.365 919 F C 1.117 176.853 175.800 -0.107 0.000 1.122 919 F CA -0.560 57.424 58.000 -0.026 0.000 1.151 919 F CB 0.598 39.404 39.000 -0.323 0.000 1.282 919 F HN 0.434 nan 8.300 nan 0.000 0.513 920 E N 3.513 123.650 120.200 -0.106 0.000 2.351 920 E HA 0.312 4.662 4.350 -0.000 0.000 0.266 920 E C 0.007 176.475 176.600 -0.221 0.000 1.031 920 E CA -0.150 56.098 56.400 -0.254 0.000 0.911 920 E CB 0.904 30.365 29.700 -0.399 0.000 0.986 920 E HN 0.503 nan 8.360 nan 0.000 0.446 921 V N 0.165 119.967 119.914 -0.186 0.000 3.109 921 V HA 0.582 4.702 4.120 -0.000 0.000 0.311 921 V C -1.200 174.707 176.094 -0.312 0.000 1.389 921 V CA -1.080 61.168 62.300 -0.086 0.000 1.034 921 V CB 1.069 32.965 31.823 0.121 0.000 1.105 921 V HN 0.415 nan 8.190 nan 0.000 0.477 922 F N 1.001 120.948 119.950 -0.005 0.000 2.426 922 F HA 0.690 5.217 4.527 0.000 0.000 0.348 922 F C -0.295 175.494 175.800 -0.017 0.000 1.124 922 F CA -0.143 57.838 58.000 -0.031 0.000 1.008 922 F CB 1.520 40.515 39.000 -0.008 0.000 1.139 922 F HN 0.583 nan 8.300 nan 0.000 0.452 923 D N 4.076 124.494 120.400 0.031 0.000 2.462 923 D HA 0.459 5.099 4.640 -0.000 0.000 0.249 923 D C -1.020 175.268 176.300 -0.021 0.000 1.117 923 D CA 0.022 54.013 54.000 -0.015 0.000 0.900 923 D CB 1.034 41.708 40.800 -0.212 0.000 1.039 923 D HN 0.152 nan 8.370 nan 0.000 0.516 924 V N 1.909 121.928 119.914 0.174 0.000 3.019 924 V HA 0.724 4.844 4.120 -0.000 0.000 0.317 924 V C -0.062 176.184 176.094 0.253 0.000 1.094 924 V CA -0.868 61.562 62.300 0.217 0.000 1.000 924 V CB 2.351 34.265 31.823 0.152 0.000 1.060 924 V HN 0.231 nan 8.190 nan 0.000 0.443 925 V N 1.796 121.817 119.914 0.179 0.000 2.851 925 V HA 0.541 4.661 4.120 -0.000 0.000 0.307 925 V C -0.579 175.502 176.094 -0.021 0.000 1.129 925 V CA -0.735 61.526 62.300 -0.065 0.000 0.932 925 V CB 2.073 33.708 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 -1.618 174.681 176.300 -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 -0.029 0.000 1.161 926 R HN 0.581 nan 8.270 nan 0.000 0.446 927 V N 4.546 124.485 119.914 0.042 0.000 2.398 927 V HA 0.306 4.426 4.120 -0.000 0.000 0.286 927 V C -0.129 176.047 176.094 0.137 0.000 1.026 927 V CA -0.621 61.732 62.300 0.089 0.000 0.868 927 V CB 1.290 33.189 31.823 0.126 0.000 0.982 927 V HN 0.722 nan 8.190 nan 0.000 0.443 928 H N 5.489 124.573 119.070 0.022 0.000 2.489 928 H HA 0.559 5.115 4.556 -0.000 0.000 0.343 928 H C -0.552 174.794 175.328 0.030 0.000 1.086 928 H CA -0.933 55.125 56.048 0.016 0.000 1.198 928 H CB 1.382 31.152 29.762 0.014 0.000 1.490 928 H HN 0.535 nan 8.280 nan 0.000 0.504 929 R N 5.673 125.987 120.500 -0.310 0.000 2.681 929 R HA 0.148 4.488 4.340 -0.000 0.000 0.277 929 R C -2.037 174.024 176.300 -0.399 0.000 1.563 929 R CA -1.540 54.414 56.100 -0.244 0.000 1.673 929 R CB 1.227 31.492 30.300 -0.059 0.000 1.258 929 R HN 0.576 nan 8.270 nan 0.000 0.650 930 P HA -0.159 nan 4.420 nan 0.000 0.216 930 P C -0.324 176.513 177.300 -0.773 0.000 1.150 930 P CA 1.544 64.223 63.100 -0.701 0.000 0.843 930 P CB 0.409 31.770 31.700 -0.566 0.000 0.787 931 H N -3.385 115.637 119.070 -0.081 0.000 2.977 931 H HA 0.421 4.977 4.556 -0.000 0.000 0.350 931 H C -0.038 175.279 175.328 -0.018 0.000 1.238 931 H CA -1.066 54.962 56.048 -0.034 0.000 1.124 931 H CB 0.954 30.703 29.762 -0.022 0.000 1.866 931 H HN -0.194 nan 8.280 nan 0.000 0.550 932 R N 0.754 121.327 120.500 0.123 0.000 2.504 932 R HA 0.147 4.487 4.340 -0.000 0.000 0.291 932 R C 0.488 176.787 176.300 -0.002 0.000 0.974 932 R CA 1.443 57.574 56.100 0.051 0.000 1.077 932 R CB -0.433 29.884 30.300 0.029 0.000 0.926 932 R HN 1.063 nan 8.270 nan 0.000 0.407 933 G N 2.475 111.227 108.800 -0.080 0.000 2.168 933 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.257 933 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.257 933 G C -0.343 174.509 174.900 -0.080 0.000 0.997 933 G CA 0.254 45.192 45.100 -0.270 0.000 0.708 933 G HN 0.511 nan 8.290 nan 0.000 0.520 934 V N 1.210 121.166 119.914 0.068 0.000 2.487 934 V HA 0.675 4.795 4.120 -0.000 0.000 0.298 934 V C 0.228 176.406 176.094 0.140 0.000 1.028 934 V CA -0.739 61.623 62.300 0.104 0.000 0.860 934 V CB 1.856 33.741 31.823 0.104 0.000 0.991 934 V HN 0.297 nan 8.190 nan 0.000 0.427 935 I N 4.397 125.063 120.570 0.160 0.000 2.439 935 I HA 0.518 4.688 4.170 -0.000 0.000 0.285 935 I C -0.415 175.778 176.117 0.127 0.000 1.021 935 I CA -0.438 60.945 61.300 0.138 0.000 1.091 935 I CB 1.988 40.079 38.000 0.152 0.000 1.242 935 I HN 0.601 nan 8.210 nan 0.000 0.439 936 E N 4.563 124.838 120.200 0.126 0.000 2.199 936 E HA 0.576 4.926 4.350 -0.000 0.000 0.269 936 E C -0.740 175.947 176.600 0.146 0.000 0.899 936 E CA -0.786 55.704 56.400 0.150 0.000 0.772 936 E CB 2.607 32.417 29.700 0.183 0.000 1.155 936 E HN 0.629 nan 8.360 nan 0.000 0.408 937 T N -1.638 113.001 114.554 0.142 0.000 2.893 937 T HA 0.605 4.955 4.350 -0.000 0.000 0.291 937 T C -0.576 174.195 174.700 0.118 0.000 1.028 937 T CA -0.792 61.366 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 2.758 122.694 119.914 0.037 0.000 2.443 938 V HA 0.417 4.537 4.120 -0.000 0.000 0.293 938 V C -1.346 174.781 176.094 0.056 0.000 1.021 938 V CA -0.904 61.452 62.300 0.092 0.000 0.848 938 V CB 0.768 32.624 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 -0.686 57.510 58.100 0.160 0.000 1.128 939 Y CB 1.927 40.496 38.460 0.183 0.000 1.200 939 Y HN 0.530 nan 8.280 nan 0.000 0.464 940 L N 4.688 126.087 121.223 0.293 0.000 2.516 940 L HA 0.524 4.864 4.340 -0.000 0.000 0.267 940 L C -1.414 175.584 176.870 0.213 0.000 0.957 940 L CA -0.745 54.217 54.840 0.203 0.000 0.860 940 L CB 1.642 43.777 42.059 0.127 0.000 1.265 940 L HN 0.659 nan 8.230 nan 0.000 0.403 941 R N 3.277 123.892 120.500 0.192 0.000 2.435 941 R HA 0.701 5.041 4.340 -0.000 0.000 0.308 941 R C -1.413 174.989 176.300 0.170 0.000 0.975 941 R CA 0.021 56.234 56.100 0.188 0.000 0.867 941 R CB 1.307 31.719 30.300 0.186 0.000 1.171 941 R HN 0.823 nan 8.270 nan 0.000 0.470 942 T N 2.401 117.073 114.554 0.198 0.000 2.921 942 T HA 0.537 4.887 4.350 -0.000 0.000 0.297 942 T C -2.809 172.055 174.700 0.273 0.000 1.013 942 T CA -1.952 60.257 62.100 0.182 0.000 0.990 942 T CB 2.476 71.414 68.868 0.118 0.000 1.023 942 T HN 0.247 nan 8.240 nan 0.000 0.447 943 P HA 0.440 nan 4.420 nan 0.000 0.296 943 P C -0.199 177.249 177.300 0.248 0.000 1.295 943 P CA -0.362 62.830 63.100 0.154 0.000 0.754 943 P CB -0.081 31.673 31.700 0.091 0.000 1.311 944 F N -3.079 116.762 119.950 -0.182 0.000 3.067 944 F HA -0.235 4.292 4.527 -0.000 0.000 0.279 944 F C 1.234 177.000 175.800 -0.058 0.000 0.945 944 F CA 0.651 58.557 58.000 -0.156 0.000 0.948 944 F CB -2.727 36.189 39.000 -0.141 0.000 0.898 944 F HN 0.135 nan 8.300 nan 0.000 0.746 945 S N -0.119 115.612 115.700 0.050 0.000 2.816 945 S HA 0.484 4.954 4.470 -0.000 0.000 0.250 945 S C 1.248 175.892 174.600 0.074 0.000 1.422 945 S CA -0.079 58.163 58.200 0.070 0.000 0.976 945 S CB 0.824 64.041 63.200 0.029 0.000 0.939 945 S HN 0.767 nan 8.310 nan 0.000 0.567 946 A N 0.813 123.678 122.820 0.076 0.000 3.280 946 A HA 0.799 5.119 4.320 -0.000 0.000 0.203 946 A C 1.021 178.626 177.584 0.035 0.000 2.143 946 A CA 0.363 52.439 52.037 0.065 0.000 1.168 946 A CB -0.901 18.146 19.000 0.079 0.000 1.267 946 A HN 1.526 nan 8.150 nan 0.000 0.436 947 G N -1.410 107.411 108.800 0.035 0.000 2.947 947 G HA2 0.457 4.417 3.960 -0.000 0.000 0.293 947 G HA3 0.457 4.417 3.960 -0.000 0.000 0.293 947 G C -1.342 173.574 174.900 0.026 0.000 1.243 947 G CA -0.017 45.095 45.100 0.020 0.000 0.802 947 G HN 1.526 nan 8.290 nan 0.000 0.560 948 N N -1.302 117.409 118.700 0.019 0.000 2.889 948 N HA -0.108 4.632 4.740 -0.000 0.000 0.286 948 N C 0.496 176.018 175.510 0.020 0.000 1.721 948 N CA 0.588 53.651 53.050 0.023 0.000 1.506 948 N CB -0.923 37.585 38.487 0.036 0.000 0.882 948 N HN 1.267 nan 8.380 nan 0.000 0.501 949 A N 2.156 124.984 122.820 0.013 0.000 1.909 949 A HA 0.330 4.650 4.320 -0.000 0.000 0.209 949 A C 1.045 178.636 177.584 0.012 0.000 1.247 949 A CA 1.907 53.949 52.037 0.009 0.000 0.660 949 A CB 0.440 19.440 19.000 0.001 0.000 0.910 949 A HN 0.865 nan 8.150 nan 0.000 0.465 950 T N 0.000 114.561 114.554 0.012 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 0.013 0.000 1.349 950 T CB 0.000 68.873 68.868 0.008 0.000 0.612 950 T HN 0.000 nan 8.240 nan 0.000 0.658