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_I 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 54.877 55.300 -0.705 0.000 0.988 5 M CB 0.000 32.245 32.600 -0.592 0.000 1.302 6 M N -1.154 118.155 119.600 -0.486 0.000 7.319 6 M HA -0.138 4.342 4.480 0.000 0.000 0.546 6 M C -1.812 174.442 176.300 -0.077 0.000 0.480 6 M CA 1.076 56.275 55.300 -0.169 0.000 1.311 6 M CB -2.894 29.631 32.600 -0.125 0.000 0.421 6 M HN 0.436 nan 8.290 nan 0.000 0.276 7 P HA -0.125 nan 4.420 nan 0.000 0.218 7 P C 1.595 178.893 177.300 -0.005 0.000 1.146 7 P CA 1.811 64.888 63.100 -0.038 0.000 0.813 7 P CB -0.072 31.587 31.700 -0.068 0.000 0.778 8 Q N -1.722 118.046 119.800 -0.054 0.000 1.994 8 Q HA -0.100 4.240 4.340 0.000 0.000 0.198 8 Q C 1.923 178.043 176.000 0.201 0.000 0.976 8 Q CA 1.555 57.372 55.803 0.024 0.000 0.828 8 Q CB -1.050 27.645 28.738 -0.073 0.000 0.894 8 Q HN 0.237 nan 8.270 nan 0.000 0.432 9 W N 0.187 121.498 121.300 0.019 0.000 2.353 9 W HA -0.043 4.617 4.660 0.000 0.000 0.319 9 W C 2.592 179.092 176.519 -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 27.800 29.460 0.012 0.000 1.159 9 W HN 0.187 nan 8.180 nan 0.000 0.478 10 S N -0.296 115.537 115.700 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 -1.000 62.238 63.200 0.064 0.000 0.950 10 S HN 0.271 nan 8.310 nan 0.000 0.440 11 Y N 0.919 121.119 120.300 -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 1.734 59.679 58.100 -0.259 0.000 1.182 11 Y CB -0.160 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 -0.390 119.088 119.600 -0.203 0.000 2.495 12 M HA 0.031 4.511 4.480 0.000 0.000 0.237 12 M C -0.045 176.176 176.300 -0.131 0.000 1.131 12 M CA 0.657 55.844 55.300 -0.187 0.000 1.032 12 M CB -1.114 31.514 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 -0.135 0.000 2.936 13 H HA -0.144 4.412 4.556 0.000 0.000 0.276 13 H C 1.162 176.457 175.328 -0.056 0.000 1.216 13 H CA 0.541 56.510 56.048 -0.132 0.000 1.132 13 H CB -1.501 28.150 29.762 -0.185 0.000 1.303 13 H HN 0.294 nan 8.280 nan 0.000 0.370 14 I N -0.141 120.449 120.570 0.034 0.000 2.546 14 I HA -0.069 4.101 4.170 0.000 0.000 0.255 14 I C 1.603 177.650 176.117 -0.116 0.000 1.163 14 I CA 1.514 62.743 61.300 -0.118 0.000 1.457 14 I CB -0.343 37.457 38.000 -0.333 0.000 1.092 14 I HN 0.349 nan 8.210 nan 0.000 0.434 15 S N -1.182 114.550 115.700 0.055 0.000 2.705 15 S HA 0.799 5.269 4.470 0.000 0.000 0.280 15 S C -0.008 174.681 174.600 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 65.632 63.200 0.234 0.000 1.162 15 S HN 0.545 nan 8.310 nan 0.000 0.487 16 G N 0.574 109.462 108.800 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 -1.037 173.961 174.900 0.162 0.000 1.217 16 G CA -0.261 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 0.350 120.276 119.800 0.210 0.000 2.249 17 Q HA 0.498 4.838 4.340 0.000 0.000 0.226 17 Q C -0.510 175.658 176.000 0.280 0.000 0.983 17 Q CA -0.689 55.245 55.803 0.218 0.000 0.930 17 Q CB 0.851 29.725 28.738 0.227 0.000 1.193 17 Q HN 0.541 nan 8.270 nan 0.000 0.508 18 D N -0.351 120.140 120.400 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 54.054 54.000 0.060 0.000 0.958 18 D CB 1.334 42.128 40.800 -0.010 0.000 1.144 18 D HN 0.675 nan 8.370 nan 0.000 0.458 19 A N 1.053 123.655 122.820 -0.364 0.000 1.948 19 A HA -0.223 4.097 4.320 0.000 0.000 0.220 19 A C 2.009 179.211 177.584 -0.636 0.000 1.177 19 A CA 2.414 53.898 52.037 -0.921 0.000 0.636 19 A CB -0.710 17.948 19.000 -0.569 0.000 0.815 19 A HN 0.569 nan 8.150 nan 0.000 0.449 20 S N -0.702 114.799 115.700 -0.331 0.000 2.500 20 S HA -0.127 4.343 4.470 0.000 0.000 0.239 20 S C 1.400 175.895 174.600 -0.175 0.000 0.989 20 S CA 1.416 59.482 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 0.108 120.213 120.200 -0.158 0.000 2.207 21 E HA 0.088 4.438 4.350 0.000 0.000 0.197 21 E C 1.516 178.109 176.600 -0.012 0.000 0.914 21 E CA 0.495 56.864 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 0.770 nan 8.360 nan 0.000 0.479 22 Y N 1.271 121.569 120.300 -0.002 0.000 2.578 22 Y HA 0.295 4.845 4.550 0.000 0.000 0.297 22 Y C 0.070 175.968 175.900 -0.004 0.000 1.176 22 Y CA 0.049 58.177 58.100 0.047 0.000 1.315 22 Y CB -0.241 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 1.805 122.766 121.223 -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 53.352 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 0.239 nan 8.230 nan 0.000 0.421 24 S N 2.282 117.894 115.700 -0.145 0.000 2.817 24 S HA -0.053 4.417 4.470 0.000 0.000 0.333 24 S C -1.849 172.690 174.600 -0.103 0.000 1.227 24 S CA -0.720 57.427 58.200 -0.088 0.000 1.027 24 S CB 0.135 63.296 63.200 -0.065 0.000 0.732 24 S HN 0.479 nan 8.310 nan 0.000 0.499 25 P HA -0.042 nan 4.420 nan 0.000 0.214 25 P C 1.884 179.160 177.300 -0.041 0.000 1.163 25 P CA 1.762 64.830 63.100 -0.054 0.000 0.889 25 P CB -0.529 31.154 31.700 -0.029 0.000 0.790 26 G N -0.032 108.752 108.800 -0.026 0.000 2.446 26 G HA2 -0.273 3.687 3.960 0.000 0.000 0.217 26 G HA3 -0.273 3.687 3.960 0.000 0.000 0.217 26 G C 1.495 176.402 174.900 0.011 0.000 1.168 26 G CA 0.731 45.829 45.100 -0.003 0.000 0.771 26 G HN 0.214 nan 8.290 nan 0.000 0.551 27 L N 0.877 122.079 121.223 -0.035 0.000 2.046 27 L HA -0.038 4.302 4.340 0.000 0.000 0.208 27 L C 2.991 179.854 176.870 -0.012 0.000 1.077 27 L CA 1.445 56.262 54.840 -0.038 0.000 0.747 27 L CB -0.629 41.349 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 -0.367 3.753 4.120 0.000 0.000 0.248 28 V C 2.585 178.663 176.094 -0.028 0.000 1.053 28 V CA 2.117 64.355 62.300 -0.103 0.000 1.027 28 V CB -0.791 30.949 31.823 -0.138 0.000 0.646 28 V HN 0.650 nan 8.190 nan 0.000 0.447 29 Q N -0.755 119.048 119.800 0.004 0.000 2.084 29 Q HA -0.253 4.087 4.340 0.000 0.000 0.202 29 Q C 2.130 178.162 176.000 0.053 0.000 0.978 29 Q CA 2.198 58.013 55.803 0.019 0.000 0.844 29 Q CB -0.233 28.523 28.738 0.029 0.000 0.898 29 Q HN 0.662 nan 8.270 nan 0.000 0.426 30 F N 0.377 120.308 119.950 -0.031 0.000 2.186 30 F HA -0.086 4.441 4.527 0.000 0.000 0.299 30 F C 1.932 177.724 175.800 -0.014 0.000 1.090 30 F CA 1.367 59.364 58.000 -0.005 0.000 1.307 30 F CB -0.333 38.675 39.000 0.015 0.000 1.019 30 F HN 0.132 nan 8.300 nan 0.000 0.489 31 A N 0.456 123.335 122.820 0.098 0.000 1.969 31 A HA -0.155 4.165 4.320 0.000 0.000 0.218 31 A C 2.339 179.844 177.584 -0.131 0.000 1.169 31 A CA 1.476 53.510 52.037 -0.006 0.000 0.635 31 A CB -0.785 18.249 19.000 0.056 0.000 0.810 31 A HN 0.489 nan 8.150 nan 0.000 0.445 32 R N -0.579 119.854 120.500 -0.112 0.000 2.115 32 R HA 0.031 4.371 4.340 0.000 0.000 0.226 32 R C 2.082 178.286 176.300 -0.160 0.000 1.100 32 R CA 1.193 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 -0.082 122.614 122.820 -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 1.263 53.168 52.037 -0.220 0.000 0.676 33 A CB -0.245 18.658 19.000 -0.163 0.000 0.818 33 A HN 0.514 nan 8.150 nan 0.000 0.453 34 T N -2.274 111.920 114.554 -0.599 0.000 3.129 34 T HA 0.086 4.436 4.350 0.000 0.000 0.251 34 T C 0.972 175.279 174.700 -0.655 0.000 1.117 34 T CA 0.784 62.331 62.100 -0.923 0.000 1.034 34 T CB -0.012 68.296 68.868 -0.935 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 0.911 57.165 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 -3.530 110.817 114.554 -0.346 0.000 3.330 36 T HA 0.028 4.378 4.350 0.000 0.000 0.240 36 T C 1.662 176.315 174.700 -0.079 0.000 0.988 36 T CA 0.360 62.357 62.100 -0.171 0.000 1.253 36 T CB -0.726 68.116 68.868 -0.044 0.000 1.163 36 T HN 0.282 nan 8.240 nan 0.000 0.382 37 Y N 0.556 120.872 120.300 0.027 0.000 2.190 37 Y HA 0.601 5.151 4.550 0.000 0.000 0.290 37 Y C 0.827 176.833 175.900 0.178 0.000 1.115 37 Y CA -0.918 57.234 58.100 0.086 0.000 1.107 37 Y CB -0.461 38.051 38.460 0.087 0.000 1.033 37 Y HN 0.161 nan 8.280 nan 0.000 0.502 38 F N 1.443 121.311 119.950 -0.136 0.000 2.420 38 F HA 0.541 5.068 4.527 0.000 0.000 0.342 38 F C -0.169 175.557 175.800 -0.123 0.000 1.113 38 F CA -1.516 56.469 58.000 -0.025 0.000 1.059 38 F CB 1.634 40.721 39.000 0.145 0.000 1.128 38 F HN -0.088 nan 8.300 nan 0.000 0.475 39 S N 5.872 121.405 115.700 -0.279 0.000 2.530 39 S HA 0.511 4.981 4.470 0.000 0.000 0.322 39 S C 0.276 174.772 174.600 -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 0.252 4.592 4.340 0.000 0.000 0.235 40 L C 1.749 178.726 176.870 0.179 0.000 1.127 40 L CA -0.168 54.748 54.840 0.127 0.000 0.914 40 L CB -0.167 42.108 42.059 0.361 0.000 1.193 40 L HN 0.512 nan 8.230 nan 0.000 0.502 41 N N 1.700 120.452 118.700 0.087 0.000 2.104 41 N HA -0.196 4.544 4.740 0.000 0.000 0.190 41 N C 1.457 177.008 175.510 0.068 0.000 1.024 41 N CA 1.694 54.801 53.050 0.094 0.000 0.853 41 N CB -0.472 38.023 38.487 0.012 0.000 1.008 41 N HN 0.497 nan 8.380 nan 0.000 0.424 42 N N 1.365 120.055 118.700 -0.018 0.000 2.571 42 N HA -0.085 4.655 4.740 0.000 0.000 0.189 42 N C 0.512 175.949 175.510 -0.122 0.000 1.154 42 N CA 0.539 53.556 53.050 -0.056 0.000 0.907 42 N CB 0.038 38.481 38.487 -0.073 0.000 0.977 42 N HN 0.156 nan 8.380 nan 0.000 0.449 43 K N -0.201 120.069 120.400 -0.217 0.000 2.367 43 K HA 0.146 4.466 4.320 0.000 0.000 0.194 43 K C -0.499 175.616 176.600 -0.807 0.000 1.027 43 K CA 0.101 56.054 56.287 -0.556 0.000 1.075 43 K CB 0.267 32.268 32.500 -0.833 0.000 0.845 43 K HN 0.173 nan 8.250 nan 0.000 0.529 44 F N 1.110 121.051 119.950 -0.013 0.000 2.536 44 F HA 0.355 4.882 4.527 0.000 0.000 0.322 44 F C 0.396 176.191 175.800 -0.008 0.000 1.144 44 F CA -1.436 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 -0.951 175.400 176.300 0.084 0.000 1.061 45 R CA 0.068 56.221 56.100 0.088 0.000 1.081 45 R CB 0.122 30.468 30.300 0.077 0.000 0.984 45 R HN 0.593 nan 8.270 nan 0.000 0.448 46 N N 6.272 125.005 118.700 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 0.041 0.000 0.998 46 N CA -1.327 51.752 53.050 0.049 0.000 0.915 46 N CB 1.914 40.411 38.487 0.017 0.000 1.187 46 N HN 0.536 nan 8.380 nan 0.000 0.507 47 P HA 0.120 nan 4.420 nan 0.000 0.272 47 P C -0.543 176.765 177.300 0.014 0.000 1.223 47 P CA -0.090 63.029 63.100 0.032 0.000 0.784 47 P CB 0.769 32.503 31.700 0.056 0.000 0.923 48 T N -1.307 113.238 114.554 -0.014 0.000 2.879 48 T HA 0.542 4.892 4.350 0.000 0.000 0.290 48 T C -0.525 174.156 174.700 -0.031 0.000 0.993 48 T CA -0.696 61.396 62.100 -0.014 0.000 0.975 48 T CB 0.849 69.706 68.868 -0.018 0.000 0.981 48 T HN 0.158 nan 8.240 nan 0.000 0.439 49 V N 2.108 122.014 119.914 -0.013 0.000 2.540 49 V HA 0.811 4.931 4.120 0.000 0.000 0.302 49 V C 0.424 176.519 176.094 0.001 0.000 1.035 49 V CA -1.130 61.162 62.300 -0.015 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 6.372 129.191 122.820 -0.003 0.000 2.327 50 A HA 0.826 5.146 4.320 0.000 0.000 0.283 50 A C -1.715 175.881 177.584 0.020 0.000 1.127 50 A CA -1.245 50.797 52.037 0.007 0.000 0.810 50 A CB -0.029 18.974 19.000 0.005 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 -0.022 0.000 0.788 51 P CB 0.348 31.996 31.700 -0.087 0.000 0.904 52 T N -3.298 111.289 114.554 0.056 0.000 3.460 52 T HA 0.243 4.593 4.350 0.000 0.000 0.304 52 T C 0.076 174.910 174.700 0.223 0.000 0.991 52 T CA -0.508 61.673 62.100 0.135 0.000 0.975 52 T CB -0.857 68.112 68.868 0.169 0.000 1.196 52 T HN 0.887 nan 8.240 nan 0.000 0.490 53 H N -1.556 117.542 119.070 0.045 0.000 3.093 53 H HA 0.307 4.863 4.556 0.000 0.000 0.312 53 H C -1.639 173.720 175.328 0.051 0.000 1.213 53 H CA -0.533 55.540 56.048 0.042 0.000 1.366 53 H CB 0.130 29.914 29.762 0.037 0.000 1.998 53 H HN 0.018 nan 8.280 nan 0.000 0.522 54 D N 1.272 121.723 120.400 0.084 0.000 2.775 54 D HA -0.107 4.533 4.640 0.000 0.000 0.235 54 D C 0.529 176.846 176.300 0.028 0.000 1.120 54 D CA 1.185 55.214 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 -1.925 118.030 119.914 0.069 0.000 3.837 55 V HA 0.129 4.249 4.120 0.000 0.000 0.182 55 V C 0.910 177.129 176.094 0.208 0.000 1.356 55 V CA 1.067 63.452 62.300 0.141 0.000 1.260 55 V CB 0.895 32.779 31.823 0.102 0.000 1.287 55 V HN 0.132 nan 8.190 nan 0.000 0.572 56 T N 0.802 115.412 114.554 0.094 0.000 2.940 56 T HA 0.493 4.843 4.350 0.000 0.000 0.288 56 T C -0.300 174.390 174.700 -0.016 0.000 1.033 56 T CA -0.017 62.093 62.100 0.016 0.000 1.033 56 T CB 2.014 70.849 68.868 -0.054 0.000 1.079 56 T HN 0.360 nan 8.240 nan 0.000 0.496 57 T N 0.365 114.876 114.554 -0.072 0.000 2.922 57 T HA 0.226 4.576 4.350 0.000 0.000 0.285 57 T C 0.209 174.835 174.700 -0.125 0.000 1.005 57 T CA -0.650 61.350 62.100 -0.167 0.000 1.061 57 T CB 0.425 69.090 68.868 -0.338 0.000 1.007 57 T HN 0.449 nan 8.240 nan 0.000 0.502 58 D N 1.479 121.803 120.400 -0.126 0.000 2.366 58 D HA 0.101 4.741 4.640 0.000 0.000 0.205 58 D C 1.069 177.327 176.300 -0.069 0.000 1.022 58 D CA 0.206 54.163 54.000 -0.072 0.000 0.868 58 D CB 0.113 40.887 40.800 -0.044 0.000 0.953 58 D HN 0.643 nan 8.370 nan 0.000 0.514 59 R N 0.543 120.980 120.500 -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 -0.477 55.590 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 0.838 116.534 115.700 -0.006 0.000 2.552 60 S HA -0.016 4.454 4.470 0.000 0.000 0.289 60 S C -0.576 174.029 174.600 0.008 0.000 1.304 60 S CA 0.019 58.217 58.200 -0.002 0.000 1.063 60 S CB 0.195 63.395 63.200 0.001 0.000 0.848 60 S HN 0.618 nan 8.310 nan 0.000 0.499 61 Q N 2.858 122.657 119.800 -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 -0.016 0.000 0.991 61 Q CA -0.755 55.046 55.803 -0.004 0.000 0.906 61 Q CB 1.141 29.895 28.738 0.025 0.000 1.422 61 Q HN 0.700 nan 8.270 nan 0.000 0.400 62 R N 3.217 123.696 120.500 -0.036 0.000 2.390 62 R HA 0.260 4.600 4.340 0.000 0.000 0.291 62 R C 0.666 176.978 176.300 0.020 0.000 1.070 62 R CA 0.060 56.149 56.100 -0.018 0.000 1.014 62 R CB 0.787 31.062 30.300 -0.041 0.000 1.007 62 R HN 0.778 nan 8.270 nan 0.000 0.466 63 L N 1.330 122.590 121.223 0.062 0.000 2.162 63 L HA 0.008 4.348 4.340 0.000 0.000 0.205 63 L C 0.329 177.329 176.870 0.217 0.000 1.086 63 L CA 1.204 56.118 54.840 0.123 0.000 0.778 63 L CB 0.321 42.427 42.059 0.078 0.000 0.928 63 L HN 0.543 nan 8.230 nan 0.000 0.446 64 T N 0.651 115.311 114.554 0.175 0.000 2.841 64 T HA 0.478 4.828 4.350 0.000 0.000 0.285 64 T C -0.497 174.288 174.700 0.143 0.000 0.991 64 T CA -0.395 61.837 62.100 0.220 0.000 0.966 64 T CB 1.951 70.950 68.868 0.218 0.000 0.962 64 T HN -0.106 nan 8.240 nan 0.000 0.438 65 L N 2.741 124.048 121.223 0.139 0.000 2.331 65 L HA 0.671 5.011 4.340 0.000 0.000 0.275 65 L C 0.287 176.921 176.870 -0.393 0.000 1.022 65 L CA -1.040 53.708 54.840 -0.153 0.000 0.812 65 L CB 1.855 43.798 42.059 -0.193 0.000 1.257 65 L HN 0.379 nan 8.230 nan 0.000 0.435 66 R N 1.720 121.831 120.500 -0.649 0.000 2.480 66 R HA 0.574 4.914 4.340 0.000 0.000 0.306 66 R C -1.720 174.131 176.300 -0.748 0.000 0.958 66 R CA -0.458 55.163 56.100 -0.799 0.000 0.861 66 R CB 1.228 31.120 30.300 -0.680 0.000 1.171 66 R HN 0.333 nan 8.270 nan 0.000 0.445 67 F N 4.499 124.336 119.950 -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 0.183 0.000 1.103 67 F CA -0.991 57.031 58.000 0.037 0.000 0.979 67 F CB 1.374 40.446 39.000 0.120 0.000 1.137 67 F HN 0.151 nan 8.300 nan 0.000 0.463 68 I N 3.223 124.018 120.570 0.376 0.000 2.498 68 I HA 0.345 4.515 4.170 0.000 0.000 0.301 68 I C -2.279 173.993 176.117 0.260 0.000 0.984 68 I CA -2.977 58.498 61.300 0.292 0.000 1.204 68 I CB 1.296 39.375 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 0.747 177.934 177.300 -0.189 0.000 1.204 69 P CA 0.156 62.990 63.100 -0.444 0.000 0.768 69 P CB 0.975 32.416 31.700 -0.433 0.000 0.842 70 V N 1.738 121.539 119.914 -0.189 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 -0.111 0.000 1.100 70 V CA 1.440 63.690 62.300 -0.082 0.000 1.112 70 V CB -0.388 31.417 31.823 -0.029 0.000 0.738 70 V HN 0.608 nan 8.190 nan 0.000 0.469 71 D N -0.716 119.576 120.400 -0.180 0.000 2.886 71 D HA 0.444 5.084 4.640 0.000 0.000 0.216 71 D C -0.783 175.377 176.300 -0.233 0.000 1.256 71 D CA -0.441 53.457 54.000 -0.169 0.000 0.844 71 D CB 1.410 42.128 40.800 -0.136 0.000 1.669 71 D HN 0.182 nan 8.370 nan 0.000 0.513 72 R N 2.206 122.574 120.500 -0.221 0.000 2.686 72 R HA 0.575 4.915 4.340 0.000 0.000 0.283 72 R C -0.873 175.231 176.300 -0.325 0.000 0.978 72 R CA -0.871 55.045 56.100 -0.307 0.000 0.897 72 R CB 2.223 32.369 30.300 -0.257 0.000 1.192 72 R HN 0.339 nan 8.270 nan 0.000 0.457 73 E N 1.624 121.549 120.200 -0.458 0.000 2.580 73 E HA 0.062 4.412 4.350 0.000 0.000 0.248 73 E C -1.618 174.708 176.600 -0.457 0.000 1.018 73 E CA -0.482 55.701 56.400 -0.362 0.000 0.775 73 E CB 1.497 31.044 29.700 -0.256 0.000 1.378 73 E HN 0.349 nan 8.360 nan 0.000 0.401 74 D N 2.202 122.373 120.400 -0.381 0.000 2.336 74 D HA 0.126 4.766 4.640 0.000 0.000 0.249 74 D C -0.495 175.770 176.300 -0.059 0.000 1.213 74 D CA 0.473 54.392 54.000 -0.135 0.000 0.870 74 D CB 0.832 41.732 40.800 0.167 0.000 1.076 74 D HN 0.102 nan 8.370 nan 0.000 0.483 75 T N 1.990 116.509 114.554 -0.058 0.000 2.919 75 T HA 0.544 4.894 4.350 0.000 0.000 0.282 75 T C 1.448 176.064 174.700 -0.139 0.000 1.020 75 T CA -0.066 61.951 62.100 -0.138 0.000 0.994 75 T CB 1.408 70.129 68.868 -0.245 0.000 1.180 75 T HN 0.335 nan 8.240 nan 0.000 0.566 76 A N 0.525 123.202 122.820 -0.238 0.000 1.896 76 A HA -0.164 4.156 4.320 0.000 0.000 0.220 76 A C 1.501 179.014 177.584 -0.117 0.000 1.206 76 A CA 2.473 54.395 52.037 -0.193 0.000 0.647 76 A CB -0.945 17.923 19.000 -0.219 0.000 0.828 76 A HN 0.956 nan 8.150 nan 0.000 0.455 77 Y N -2.108 118.192 120.300 -0.001 0.000 2.563 77 Y HA 0.522 5.072 4.550 0.000 0.000 0.250 77 Y C 0.295 176.337 175.900 0.238 0.000 1.126 77 Y CA -0.555 57.586 58.100 0.068 0.000 1.231 77 Y CB -0.546 37.892 38.460 -0.037 0.000 1.288 77 Y HN 0.360 nan 8.280 nan 0.000 0.537 78 S N -0.880 114.907 115.700 0.145 0.000 2.618 78 S HA 0.639 5.109 4.470 0.000 0.000 0.277 78 S C -1.934 172.859 174.600 0.322 0.000 1.138 78 S CA -0.706 57.719 58.200 0.374 0.000 0.844 78 S CB 2.292 65.721 63.200 0.381 0.000 1.127 78 S HN 0.243 nan 8.310 nan 0.000 0.474 79 Y N 0.661 121.135 120.300 0.290 0.000 2.391 79 Y HA 0.679 5.229 4.550 0.000 0.000 0.341 79 Y C -0.565 175.447 175.900 0.187 0.000 0.965 79 Y CA -0.523 57.706 58.100 0.215 0.000 1.067 79 Y CB 1.788 40.410 38.460 0.269 0.000 1.199 79 Y HN 0.960 nan 8.280 nan 0.000 0.450 80 K N 4.140 124.422 120.400 -0.197 0.000 2.376 80 K HA 0.888 5.208 4.320 0.000 0.000 0.257 80 K C -1.823 174.644 176.600 -0.222 0.000 0.939 80 K CA -0.680 55.537 56.287 -0.116 0.000 0.809 80 K CB 1.240 33.639 32.500 -0.169 0.000 1.121 80 K HN 0.696 nan 8.250 nan 0.000 0.425 81 A N 4.283 127.064 122.820 -0.066 0.000 2.374 81 A HA 0.577 4.897 4.320 0.000 0.000 0.305 81 A C -1.236 176.198 177.584 -0.251 0.000 1.053 81 A CA -0.805 51.105 52.037 -0.210 0.000 0.726 81 A CB 1.263 20.192 19.000 -0.118 0.000 1.229 81 A HN 0.801 nan 8.150 nan 0.000 0.431 82 R N 1.651 121.901 120.500 -0.416 0.000 2.562 82 R HA 0.737 5.077 4.340 0.000 0.000 0.298 82 R C -1.737 174.309 176.300 -0.424 0.000 0.961 82 R CA -0.335 55.618 56.100 -0.245 0.000 0.881 82 R CB 0.983 31.208 30.300 -0.125 0.000 1.159 82 R HN 0.619 nan 8.270 nan 0.000 0.450 83 F N -0.037 119.979 119.950 0.109 0.000 2.593 83 F HA 0.383 4.910 4.527 0.000 0.000 0.320 83 F C 0.213 176.069 175.800 0.093 0.000 1.060 83 F CA -0.835 57.236 58.000 0.119 0.000 0.940 83 F CB 2.470 41.565 39.000 0.159 0.000 1.268 83 F HN 0.244 nan 8.300 nan 0.000 0.475 84 T N 3.386 118.088 114.554 0.247 0.000 3.042 84 T HA 0.294 4.644 4.350 0.000 0.000 0.356 84 T C -0.762 173.909 174.700 -0.048 0.000 1.233 84 T CA -0.321 61.855 62.100 0.125 0.000 1.038 84 T CB 0.080 69.016 68.868 0.114 0.000 1.089 84 T HN 0.351 nan 8.240 nan 0.000 0.531 85 L N 4.414 125.577 121.223 -0.100 0.000 2.385 85 L HA 0.603 4.943 4.340 0.000 0.000 0.281 85 L C 0.096 176.910 176.870 -0.093 0.000 1.106 85 L CA -0.338 54.255 54.840 -0.413 0.000 0.856 85 L CB -0.649 41.289 42.059 -0.201 0.000 1.186 85 L HN 0.581 nan 8.230 nan 0.000 0.453 86 A N 5.330 128.100 122.820 -0.083 0.000 2.271 86 A HA 0.634 4.954 4.320 0.000 0.000 0.317 86 A C -0.536 177.232 177.584 0.307 0.000 1.245 86 A CA -0.579 51.565 52.037 0.178 0.000 0.857 86 A CB 0.973 20.102 19.000 0.215 0.000 1.175 86 A HN 0.502 nan 8.150 nan 0.000 0.512 87 V N 4.092 124.189 119.914 0.305 0.000 2.218 87 V HA 0.335 4.455 4.120 0.000 0.000 0.261 87 V C 1.331 177.536 176.094 0.185 0.000 1.142 87 V CA -0.035 62.478 62.300 0.355 0.000 0.965 87 V CB 0.013 32.081 31.823 0.408 0.000 1.190 87 V HN 1.149 nan 8.190 nan 0.000 0.478 88 G N 3.165 112.008 108.800 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 0.117 175.016 174.900 -0.001 0.000 1.241 88 G CA -0.215 44.883 45.100 -0.004 0.000 0.858 88 G HN 0.613 nan 8.290 nan 0.000 0.592 89 D N 0.356 120.735 120.400 -0.035 0.000 2.352 89 D HA -0.054 4.586 4.640 0.000 0.000 0.238 89 D C 0.811 177.043 176.300 -0.114 0.000 1.286 89 D CA 0.240 54.210 54.000 -0.050 0.000 0.923 89 D CB 0.232 40.995 40.800 -0.062 0.000 1.146 89 D HN 0.501 nan 8.370 nan 0.000 0.471 90 N N 0.193 118.828 118.700 -0.109 0.000 2.666 90 N HA -0.240 4.500 4.740 0.000 0.000 0.248 90 N C -0.467 175.019 175.510 -0.040 0.000 1.118 90 N CA 1.117 54.078 53.050 -0.147 0.000 0.722 90 N CB -0.585 37.593 38.487 -0.515 0.000 1.050 90 N HN 0.431 nan 8.380 nan 0.000 0.550 91 R N -0.697 119.830 120.500 0.046 0.000 2.808 91 R HA 0.726 5.066 4.340 0.000 0.000 0.272 91 R C -0.383 176.047 176.300 0.218 0.000 0.995 91 R CA -0.916 55.282 56.100 0.162 0.000 0.917 91 R CB 2.346 32.725 30.300 0.131 0.000 1.217 91 R HN -0.002 nan 8.270 nan 0.000 0.471 92 V N -0.593 119.492 119.914 0.285 0.000 2.925 92 V HA 0.718 4.838 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 0.200 0.000 0.954 92 V CB 2.002 33.896 31.823 0.117 0.000 1.022 92 V HN 0.580 nan 8.190 nan 0.000 0.427 93 L N 2.379 123.620 121.223 0.030 0.000 2.381 93 L HA 0.686 5.026 4.340 0.000 0.000 0.274 93 L C -0.700 176.066 176.870 -0.173 0.000 0.988 93 L CA 0.051 54.764 54.840 -0.211 0.000 0.824 93 L CB 1.644 43.477 42.059 -0.378 0.000 1.263 93 L HN 0.940 nan 8.230 nan 0.000 0.410 94 D N 5.320 125.624 120.400 -0.161 0.000 2.347 94 D HA 0.116 4.756 4.640 0.000 0.000 0.235 94 D C 1.159 177.365 176.300 -0.156 0.000 1.149 94 D CA -0.352 53.581 54.000 -0.111 0.000 0.850 94 D CB 1.152 41.923 40.800 -0.048 0.000 1.061 94 D HN 0.576 nan 8.370 nan 0.000 0.487 95 M N 2.911 122.399 119.600 -0.186 0.000 2.260 95 M HA -0.174 4.306 4.480 0.000 0.000 0.261 95 M C 1.889 178.094 176.300 -0.159 0.000 1.066 95 M CA 0.788 55.953 55.300 -0.224 0.000 1.082 95 M CB -1.180 31.256 32.600 -0.273 0.000 1.388 95 M HN 0.511 nan 8.290 nan 0.000 0.419 96 A N -0.113 122.646 122.820 -0.101 0.000 2.178 96 A HA -0.067 4.253 4.320 0.000 0.000 0.218 96 A C 2.111 179.717 177.584 0.037 0.000 1.157 96 A CA 1.703 53.716 52.037 -0.040 0.000 0.689 96 A CB -0.685 18.313 19.000 -0.004 0.000 0.787 96 A HN 0.604 nan 8.150 nan 0.000 0.465 97 S N -0.621 115.089 115.700 0.016 0.000 2.597 97 S HA 0.179 4.649 4.470 0.000 0.000 0.224 97 S C 0.618 175.264 174.600 0.075 0.000 0.955 97 S CA 0.310 58.569 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 -0.144 114.403 114.554 -0.011 0.000 2.945 98 T HA 0.750 5.100 4.350 0.000 0.000 0.286 98 T C -0.744 173.941 174.700 -0.023 0.000 1.025 98 T CA -0.759 61.265 62.100 -0.126 0.000 1.039 98 T CB 1.197 69.932 68.868 -0.222 0.000 1.068 98 T HN 0.694 nan 8.240 nan 0.000 0.497 99 Y N -1.607 118.620 120.300 -0.121 0.000 2.662 99 Y HA 0.632 5.182 4.550 0.000 0.000 0.334 99 Y C -2.065 173.717 175.900 -0.196 0.000 1.185 99 Y CA -2.601 55.406 58.100 -0.156 0.000 1.074 99 Y CB 0.472 39.054 38.460 0.205 0.000 1.330 99 Y HN 0.646 nan 8.280 nan 0.000 0.458 100 F N 1.779 121.915 119.950 0.310 0.000 2.411 100 F HA 0.340 4.867 4.527 0.000 0.000 0.355 100 F C 0.070 176.036 175.800 0.277 0.000 1.117 100 F CA -0.244 57.864 58.000 0.180 0.000 1.139 100 F CB 1.107 40.181 39.000 0.123 0.000 1.120 100 F HN 0.593 nan 8.300 nan 0.000 0.493 101 D N 4.809 125.503 120.400 0.490 0.000 2.317 101 D HA 0.473 5.113 4.640 0.000 0.000 0.234 101 D C -0.762 175.691 176.300 0.254 0.000 1.112 101 D CA -0.057 54.203 54.000 0.434 0.000 0.840 101 D CB 0.699 41.858 40.800 0.599 0.000 1.078 101 D HN 0.310 nan 8.370 nan 0.000 0.486 102 I N 3.755 124.422 120.570 0.162 0.000 2.465 102 I HA 0.473 4.643 4.170 0.000 0.000 0.291 102 I C -0.005 176.148 176.117 0.061 0.000 1.014 102 I CA -0.921 60.394 61.300 0.024 0.000 1.093 102 I CB 1.825 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 3.927 124.357 120.500 -0.118 0.000 2.561 103 R HA 0.831 5.171 4.340 0.000 0.000 0.297 103 R C -0.323 175.705 176.300 -0.452 0.000 0.969 103 R CA -0.747 55.164 56.100 -0.314 0.000 0.879 103 R CB 2.429 32.536 30.300 -0.322 0.000 1.178 103 R HN 0.881 nan 8.270 nan 0.000 0.445 104 G N 0.705 108.917 108.800 -0.981 0.000 2.634 104 G HA2 0.486 4.446 3.960 0.000 0.000 0.309 104 G HA3 0.486 4.446 3.960 0.000 0.000 0.309 104 G C -1.704 172.697 174.900 -0.832 0.000 1.299 104 G CA -0.422 44.204 45.100 -0.791 0.000 0.798 104 G HN 0.290 nan 8.290 nan 0.000 0.490 105 V N 0.200 119.945 119.914 -0.283 0.000 2.604 105 V HA 0.754 4.874 4.120 0.000 0.000 0.305 105 V C -0.863 175.381 176.094 0.251 0.000 1.043 105 V CA -0.682 61.608 62.300 -0.016 0.000 0.888 105 V CB 1.569 33.380 31.823 -0.021 0.000 0.995 105 V HN 0.860 nan 8.190 nan 0.000 0.429 106 L N 3.209 124.613 121.223 0.301 0.000 2.386 106 L HA 0.807 5.147 4.340 0.000 0.000 0.271 106 L C -1.215 175.696 176.870 0.068 0.000 0.993 106 L CA 0.023 54.972 54.840 0.181 0.000 0.819 106 L CB 2.093 44.231 42.059 0.133 0.000 1.294 106 L HN 0.700 nan 8.230 nan 0.000 0.414 107 D N 2.958 123.357 120.400 -0.001 0.000 2.462 107 D HA 0.337 4.977 4.640 0.000 0.000 0.245 107 D C 0.450 176.654 176.300 -0.162 0.000 1.122 107 D CA -0.367 53.615 54.000 -0.030 0.000 0.864 107 D CB 1.461 42.312 40.800 0.085 0.000 1.098 107 D HN 0.612 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 1.328 177.500 176.300 -0.213 0.000 1.029 108 R CA 0.623 56.519 56.100 -0.340 0.000 1.018 108 R CB -0.130 29.773 30.300 -0.661 0.000 0.888 108 R HN 0.657 nan 8.270 nan 0.000 0.471 109 G N 0.400 109.086 108.800 -0.189 0.000 2.796 109 G HA2 -0.187 3.773 3.960 0.000 0.000 0.571 109 G HA3 -0.187 3.773 3.960 0.000 0.000 0.571 109 G C -2.053 172.763 174.900 -0.140 0.000 1.370 109 G CA -0.400 44.620 45.100 -0.134 0.000 0.856 109 G HN 0.060 nan 8.290 nan 0.000 0.538 110 P HA 0.019 nan 4.420 nan 0.000 0.241 110 P C 1.503 178.655 177.300 -0.248 0.000 1.191 110 P CA 1.963 64.979 63.100 -0.139 0.000 0.771 110 P CB 0.007 31.656 31.700 -0.084 0.000 0.929 111 T N -4.575 109.787 114.554 -0.319 0.000 3.129 111 T HA 0.062 4.412 4.350 0.000 0.000 0.251 111 T C 0.306 174.629 174.700 -0.629 0.000 1.117 111 T CA -0.524 61.150 62.100 -0.710 0.000 1.034 111 T CB -0.964 67.525 68.868 -0.631 0.000 0.968 111 T HN -0.135 nan 8.240 nan 0.000 0.526 112 F N 2.801 122.473 119.950 -0.463 0.000 2.472 112 F HA 0.508 5.035 4.527 0.000 0.000 0.364 112 F C 0.241 175.798 175.800 -0.404 0.000 1.090 112 F CA -1.274 56.500 58.000 -0.376 0.000 1.188 112 F CB 0.522 39.356 39.000 -0.278 0.000 1.105 112 F HN 0.022 nan 8.300 nan 0.000 0.536 113 K N 9.198 128.982 120.400 -1.028 0.000 2.723 113 K HA 0.328 4.648 4.320 0.000 0.000 0.229 113 K C -2.622 173.228 176.600 -1.250 0.000 1.022 113 K CA -1.698 53.925 56.287 -1.106 0.000 1.045 113 K CB 1.348 33.369 32.500 -0.798 0.000 1.227 113 K HN 0.299 nan 8.250 nan 0.000 0.516 114 P HA 0.002 nan 4.420 nan 0.000 0.269 114 P C -1.427 175.658 177.300 -0.359 0.000 1.601 114 P CA 0.196 62.770 63.100 -0.875 0.000 0.831 114 P CB -0.703 30.794 31.700 -0.338 0.000 1.688 115 Y N -5.014 114.982 120.300 -0.507 0.000 2.717 115 Y HA 0.496 5.046 4.550 0.000 0.000 0.345 115 Y C -1.181 174.604 175.900 -0.193 0.000 1.187 115 Y CA -1.337 56.637 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 1.229 117.004 115.700 0.126 0.000 2.617 116 S HA 0.807 5.277 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 0.117 58.341 58.200 0.040 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 -0.079 3.881 3.960 0.000 0.000 0.222 117 G HA3 -0.079 3.881 3.960 0.000 0.000 0.222 117 G C -0.267 174.733 174.900 0.168 0.000 1.321 117 G CA -0.128 45.073 45.100 0.168 0.000 0.893 117 G HN 0.967 nan 8.290 nan 0.000 0.569 118 T N -1.397 113.185 114.554 0.047 0.000 2.916 118 T HA 0.759 5.109 4.350 0.000 0.000 0.292 118 T C 1.084 175.633 174.700 -0.252 0.000 1.055 118 T CA 0.755 62.804 62.100 -0.085 0.000 1.009 118 T CB 1.533 70.182 68.868 -0.365 0.000 1.118 118 T HN 2.066 nan 8.240 nan 0.000 0.497 119 A N 2.103 124.635 122.820 -0.481 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 18.154 19.000 -1.098 0.000 0.856 119 A HN 0.751 nan 8.150 nan 0.000 0.488 120 Y N 0.067 120.282 120.300 -0.141 0.000 2.326 120 Y HA 0.365 4.915 4.550 0.000 0.000 0.331 120 Y C 0.091 175.909 175.900 -0.136 0.000 0.962 120 Y CA -1.185 56.860 58.100 -0.093 0.000 1.167 120 Y CB 0.821 39.268 38.460 -0.022 0.000 1.148 120 Y HN 0.248 nan 8.280 nan 0.000 0.463 121 N N 1.093 119.839 118.700 0.075 0.000 2.725 121 N HA -0.233 4.507 4.740 0.000 0.000 0.251 121 N C 0.860 176.408 175.510 0.064 0.000 1.031 121 N CA 0.772 53.868 53.050 0.076 0.000 0.720 121 N CB -0.739 37.816 38.487 0.114 0.000 0.930 121 N HN 0.926 nan 8.380 nan 0.000 0.543 122 A N -0.233 122.597 122.820 0.017 0.000 2.019 122 A HA -0.031 4.289 4.320 0.000 0.000 0.219 122 A C 2.162 179.911 177.584 0.274 0.000 1.164 122 A CA 0.956 53.069 52.037 0.126 0.000 0.644 122 A CB -0.076 18.955 19.000 0.052 0.000 0.805 122 A HN 0.438 nan 8.150 nan 0.000 0.449 123 L N -0.745 120.580 121.223 0.171 0.000 2.554 123 L HA 0.145 4.485 4.340 0.000 0.000 0.226 123 L C 1.346 178.305 176.870 0.148 0.000 1.137 123 L CA -0.020 54.905 54.840 0.141 0.000 0.863 123 L CB -0.416 41.700 42.059 0.095 0.000 0.985 123 L HN 0.367 nan 8.230 nan 0.000 0.451 124 A N 0.798 123.739 122.820 0.202 0.000 2.450 124 A HA 0.397 4.717 4.320 0.000 0.000 0.255 124 A C -2.168 175.497 177.584 0.136 0.000 1.096 124 A CA -1.150 50.992 52.037 0.175 0.000 0.778 124 A CB -0.352 18.769 19.000 0.201 0.000 1.031 124 A HN -0.052 nan 8.150 nan 0.000 0.494 125 P HA 0.010 nan 4.420 nan 0.000 0.262 125 P C 0.290 177.569 177.300 -0.035 0.000 1.182 125 P CA 0.259 63.361 63.100 0.003 0.000 0.761 125 P CB 0.407 32.121 31.700 0.023 0.000 0.795 126 K N 1.984 122.279 120.400 -0.175 0.000 2.589 126 K HA -0.070 4.250 4.320 0.000 0.000 0.195 126 K C 1.625 178.169 176.600 -0.093 0.000 1.040 126 K CA 1.258 57.388 56.287 -0.262 0.000 0.950 126 K CB -0.339 31.904 32.500 -0.428 0.000 0.781 126 K HN 0.618 nan 8.250 nan 0.000 0.486 127 G N 0.208 108.983 108.800 -0.041 0.000 2.944 127 G HA2 0.196 4.156 3.960 0.000 0.000 0.223 127 G HA3 0.196 4.156 3.960 0.000 0.000 0.223 127 G C 0.132 175.045 174.900 0.021 0.000 1.071 127 G CA -0.114 44.980 45.100 -0.010 0.000 0.806 127 G HN 0.236 nan 8.290 nan 0.000 0.538 128 A N 2.090 124.939 122.820 0.048 0.000 2.520 128 A HA 0.570 4.890 4.320 0.000 0.000 0.245 128 A C -1.942 175.705 177.584 0.106 0.000 1.072 128 A CA -0.658 51.432 52.037 0.088 0.000 0.761 128 A CB 0.367 19.431 19.000 0.107 0.000 1.004 128 A HN 0.225 nan 8.150 nan 0.000 0.499 129 P HA 0.239 nan 4.420 nan 0.000 0.283 129 P C -0.798 176.607 177.300 0.175 0.000 1.278 129 P CA -0.877 62.297 63.100 0.124 0.000 0.834 129 P CB 0.990 32.738 31.700 0.079 0.000 1.150 130 N N 0.603 119.390 118.700 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 -1.361 51.770 53.050 0.134 0.000 0.975 130 N CB -0.581 37.964 38.487 0.097 0.000 1.157 130 N HN 0.241 nan 8.380 nan 0.000 0.465 131 P HA 0.001 nan 4.420 nan 0.000 0.260 131 P C -0.285 177.117 177.300 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 1.834 121.296 119.300 0.269 0.000 3.307 132 C HA 0.772 5.232 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 0.279 0.000 1.396 132 C CB 1.829 29.735 27.740 0.276 0.000 1.970 132 C HN 0.511 nan 8.230 nan 0.000 0.441 133 E N -0.750 119.662 120.200 0.354 0.000 2.383 133 E HA 0.668 5.018 4.350 0.000 0.000 0.275 133 E C -1.669 175.186 176.600 0.426 0.000 0.918 133 E CA -0.217 56.356 56.400 0.288 0.000 0.764 133 E CB 2.407 32.172 29.700 0.110 0.000 1.252 133 E HN 0.900 nan 8.360 nan 0.000 0.449 134 W N 0.384 121.749 121.300 0.109 0.000 2.923 134 W HA 0.582 5.242 4.660 0.000 0.000 0.373 134 W C -1.569 175.028 176.519 0.131 0.000 1.205 134 W CA -0.596 56.799 57.345 0.085 0.000 1.180 134 W CB 0.465 29.950 29.460 0.041 0.000 1.477 134 W HN 0.189 nan 8.180 nan 0.000 0.581 166 H N 0.197 118.842 119.070 -0.709 0.000 2.573 166 H HA 0.841 5.397 4.556 0.000 0.000 0.351 166 H C -0.411 174.440 175.328 -0.796 0.000 1.163 166 H CA -0.739 54.802 56.048 -0.846 0.000 1.205 166 H CB 1.449 30.430 29.762 -1.303 0.000 1.605 166 H HN 0.386 nan 8.280 nan 0.000 0.525 167 V N 2.352 122.073 119.914 -0.322 0.000 2.604 167 V HA 0.294 4.414 4.120 0.000 0.000 0.305 167 V C -1.224 174.924 176.094 0.090 0.000 1.043 167 V CA -0.794 61.434 62.300 -0.120 0.000 0.888 167 V CB 1.747 33.461 31.823 -0.182 0.000 0.995 167 V HN 0.639 nan 8.190 nan 0.000 0.429 168 F N 3.664 123.681 119.950 0.111 0.000 2.577 168 F HA 0.850 5.377 4.527 0.000 0.000 0.344 168 F C 0.201 176.053 175.800 0.086 0.000 1.145 168 F CA -0.103 57.992 58.000 0.160 0.000 0.996 168 F CB 1.312 40.510 39.000 0.330 0.000 1.248 168 F HN 0.644 nan 8.300 nan 0.000 0.447 169 G N 4.073 112.622 108.800 -0.418 0.000 2.911 169 G HA2 0.526 4.486 3.960 0.000 0.000 0.299 169 G HA3 0.526 4.486 3.960 0.000 0.000 0.299 169 G C -2.108 172.579 174.900 -0.355 0.000 1.283 169 G CA -0.769 44.140 45.100 -0.319 0.000 0.805 169 G HN 0.632 nan 8.290 nan 0.000 0.548 170 Q N -1.163 118.523 119.800 -0.189 0.000 2.309 170 Q HA 0.609 4.949 4.340 0.000 0.000 0.273 170 Q C -1.724 174.244 176.000 -0.053 0.000 1.040 170 Q CA -0.937 54.787 55.803 -0.132 0.000 0.834 170 Q CB 2.141 30.815 28.738 -0.107 0.000 1.345 170 Q HN 1.070 nan 8.270 nan 0.000 0.414 171 A N 4.695 127.497 122.820 -0.029 0.000 2.431 171 A HA 0.511 4.831 4.320 0.000 0.000 0.318 171 A C -2.250 175.357 177.584 0.038 0.000 1.330 171 A CA -1.211 50.842 52.037 0.027 0.000 0.804 171 A CB 0.760 19.783 19.000 0.039 0.000 1.135 171 A HN 0.732 nan 8.150 nan 0.000 0.483 172 P HA 0.003 nan 4.420 nan 0.000 0.238 172 P C 0.016 177.368 177.300 0.085 0.000 1.183 172 P CA 0.452 63.588 63.100 0.059 0.000 0.813 172 P CB 0.116 31.852 31.700 0.061 0.000 0.944 173 Y N 1.548 121.852 120.300 0.006 0.000 2.335 173 Y HA 0.365 4.915 4.550 0.000 0.000 0.331 173 Y C 0.289 176.203 175.900 0.022 0.000 1.094 173 Y CA -0.394 57.709 58.100 0.005 0.000 1.253 173 Y CB 0.716 39.170 38.460 -0.010 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 -0.673 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 -0.606 0.000 1.079 174 S CA -0.219 57.722 58.200 -0.431 0.000 1.104 174 S CB -0.312 62.728 63.200 -0.265 0.000 0.969 174 S HN 1.053 nan 8.310 nan 0.000 0.471 175 G N 3.532 112.211 108.800 -0.201 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 -0.042 0.000 1.240 175 G CA -0.811 44.266 45.100 -0.038 0.000 1.002 175 G HN 0.697 nan 8.290 nan 0.000 0.493 176 I N -0.543 119.982 120.570 -0.075 0.000 2.193 176 I HA 0.007 4.177 4.170 0.000 0.000 0.240 176 I C 0.980 176.851 176.117 -0.411 0.000 1.084 176 I CA 1.069 62.268 61.300 -0.169 0.000 1.365 176 I CB 0.062 37.977 38.000 -0.142 0.000 1.064 176 I HN 0.457 nan 8.210 nan 0.000 0.410 177 N N -0.977 117.509 118.700 -0.355 0.000 2.825 177 N HA 0.483 5.223 4.740 0.000 0.000 0.253 177 N C -1.569 173.934 175.510 -0.011 0.000 1.426 177 N CA -0.591 52.150 53.050 -0.515 0.000 0.851 177 N CB 1.675 39.973 38.487 -0.314 0.000 1.470 177 N HN -0.058 nan 8.380 nan 0.000 0.517 178 I N 1.256 121.960 120.570 0.223 0.000 2.447 178 I HA 0.422 4.592 4.170 0.000 0.000 0.287 178 I C -0.157 176.127 176.117 0.278 0.000 1.023 178 I CA -0.514 60.985 61.300 0.331 0.000 1.083 178 I CB 1.818 40.056 38.000 0.395 0.000 1.245 178 I HN 0.712 nan 8.210 nan 0.000 0.434 179 T N 1.106 115.847 114.554 0.312 0.000 2.742 179 T HA 0.360 4.710 4.350 0.000 0.000 0.282 179 T C 0.628 175.385 174.700 0.096 0.000 1.025 179 T CA -0.727 61.470 62.100 0.162 0.000 1.020 179 T CB 1.746 70.726 68.868 0.186 0.000 1.317 179 T HN 0.383 nan 8.240 nan 0.000 0.538 180 K N 0.381 120.729 120.400 -0.088 0.000 2.442 180 K HA 0.002 4.322 4.320 0.000 0.000 0.198 180 K C 1.675 178.280 176.600 0.009 0.000 1.044 180 K CA 1.234 57.437 56.287 -0.141 0.000 0.948 180 K CB -0.380 32.008 32.500 -0.186 0.000 0.762 180 K HN 0.563 nan 8.250 nan 0.000 0.472 181 E N -0.286 119.829 120.200 -0.140 0.000 2.435 181 E HA 0.100 4.450 4.350 0.000 0.000 0.195 181 E C 0.888 177.350 176.600 -0.230 0.000 1.029 181 E CA 0.764 56.890 56.400 -0.456 0.000 0.865 181 E CB 0.230 29.064 29.700 -1.443 0.000 0.833 181 E HN 0.425 nan 8.360 nan 0.000 0.510 182 G N 1.679 110.561 108.800 0.136 0.000 2.384 182 G HA2 -0.191 3.769 3.960 0.000 0.000 0.204 182 G HA3 -0.191 3.769 3.960 0.000 0.000 0.204 182 G C -0.284 174.884 174.900 0.446 0.000 1.237 182 G CA -0.422 44.826 45.100 0.247 0.000 1.060 182 G HN 0.216 nan 8.290 nan 0.000 0.514 183 I N -1.408 119.421 120.570 0.431 0.000 2.474 183 I HA 0.655 4.825 4.170 0.000 0.000 0.287 183 I C 0.269 176.556 176.117 0.282 0.000 1.048 183 I CA -0.509 61.005 61.300 0.357 0.000 1.383 183 I CB 1.400 39.599 38.000 0.332 0.000 1.412 183 I HN 0.686 nan 8.210 nan 0.000 0.531 184 Q N 6.172 126.030 119.800 0.097 0.000 2.296 184 Q HA 0.345 4.685 4.340 0.000 0.000 0.257 184 Q C 0.532 176.511 176.000 -0.035 0.000 0.942 184 Q CA -0.554 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 0.560 121.106 120.570 -0.040 0.000 3.793 185 I HA 0.476 4.646 4.170 0.000 0.000 0.315 185 I C 0.629 176.749 176.117 0.005 0.000 1.275 185 I CA 0.202 61.535 61.300 0.055 0.000 1.214 185 I CB 0.242 38.238 38.000 -0.007 0.000 1.018 185 I HN 0.651 nan 8.210 nan 0.000 0.439 186 G N 1.375 110.130 108.800 -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 -1.155 173.678 174.900 -0.110 0.000 1.277 186 G CA 0.045 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 -3.425 116.447 119.914 -0.071 0.000 2.766 187 V HA 0.592 4.712 4.120 0.000 0.000 0.286 187 V C -0.646 175.430 176.094 -0.031 0.000 1.237 187 V CA -0.814 61.447 62.300 -0.065 0.000 0.934 187 V CB 1.286 33.067 31.823 -0.070 0.000 1.068 187 V HN 0.803 nan 8.190 nan 0.000 0.451 188 E N 3.826 124.016 120.200 -0.018 0.000 1.833 188 E HA 0.397 4.747 4.350 0.000 0.000 0.258 188 E C 1.330 177.928 176.600 -0.003 0.000 1.257 188 E CA 0.996 57.394 56.400 -0.004 0.000 1.003 188 E CB 0.373 30.076 29.700 0.006 0.000 1.068 188 E HN 1.472 nan 8.360 nan 0.000 0.422 189 G N 3.834 112.631 108.800 -0.005 0.000 3.377 189 G HA2 -0.428 3.532 3.960 0.000 0.000 0.304 189 G HA3 -0.428 3.532 3.960 0.000 0.000 0.304 189 G C 0.880 175.776 174.900 -0.007 0.000 1.366 189 G CA 0.415 45.513 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 0.712 176.710 176.000 -0.003 0.000 0.882 190 Q CA 0.800 56.602 55.803 -0.003 0.000 0.936 190 Q CB 0.786 29.525 28.738 0.002 0.000 1.092 190 Q HN 0.545 nan 8.270 nan 0.000 0.535 191 T N 2.554 117.108 114.554 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 -0.017 0.000 1.004 191 T CA -1.392 60.713 62.100 0.008 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 -0.852 176.339 177.300 -0.183 0.000 1.348 192 P CA -0.863 62.154 63.100 -0.140 0.000 0.826 192 P CB 0.719 32.310 31.700 -0.181 0.000 0.945 193 K N 3.359 123.644 120.400 -0.191 0.000 2.234 193 K HA 0.348 4.668 4.320 0.000 0.000 0.282 193 K C -0.317 176.139 176.600 -0.241 0.000 1.039 193 K CA -0.290 55.928 56.287 -0.116 0.000 0.928 193 K CB 0.179 32.647 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 0.009 0.000 2.487 194 Y HA 0.455 5.005 4.550 0.000 0.000 0.337 194 Y C 0.655 176.532 175.900 -0.038 0.000 1.076 194 Y CA -1.105 57.002 58.100 0.012 0.000 1.115 194 Y CB 1.547 40.030 38.460 0.038 0.000 1.235 194 Y HN 0.620 nan 8.280 nan 0.000 0.468 195 A N 1.496 124.375 122.820 0.098 0.000 2.498 195 A HA 0.050 4.370 4.320 0.000 0.000 0.239 195 A C -0.145 177.351 177.584 -0.147 0.000 1.068 195 A CA -0.286 51.667 52.037 -0.139 0.000 0.766 195 A CB -0.063 18.768 19.000 -0.282 0.000 1.003 195 A HN 0.708 nan 8.150 nan 0.000 0.497 196 D N 2.050 122.251 120.400 -0.332 0.000 2.352 196 D HA 0.098 4.738 4.640 0.000 0.000 0.245 196 D C 1.020 177.136 176.300 -0.306 0.000 1.224 196 D CA -0.008 53.840 54.000 -0.254 0.000 0.879 196 D CB 0.487 41.132 40.800 -0.258 0.000 1.057 196 D HN 0.550 nan 8.370 nan 0.000 0.491 197 K N 1.294 121.643 120.400 -0.083 0.000 2.127 197 K HA -0.239 4.081 4.320 0.000 0.000 0.212 197 K C 1.904 178.482 176.600 -0.035 0.000 1.050 197 K CA 2.091 58.388 56.287 0.016 0.000 0.929 197 K CB -0.257 32.344 32.500 0.167 0.000 0.715 197 K HN 0.566 nan 8.250 nan 0.000 0.457 198 T N -1.073 113.492 114.554 0.019 0.000 2.881 198 T HA -0.168 4.182 4.350 0.000 0.000 0.270 198 T C 1.490 176.286 174.700 0.160 0.000 1.068 198 T CA 1.368 63.529 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 -0.900 118.990 119.950 -0.099 0.000 3.031 199 F HA 0.528 5.055 4.527 0.000 0.000 0.365 199 F C -0.117 175.573 175.800 -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 3.853 123.161 119.800 -0.820 0.000 2.342 200 Q HA 0.470 4.810 4.340 0.000 0.000 0.267 200 Q C -2.667 172.803 176.000 -0.883 0.000 1.038 200 Q CA -2.346 52.965 55.803 -0.820 0.000 0.832 200 Q CB 2.523 30.683 28.738 -0.964 0.000 1.323 200 Q HN -0.029 nan 8.270 nan 0.000 0.448 201 P HA 0.028 nan 4.420 nan 0.000 0.274 201 P C -0.970 176.139 177.300 -0.317 0.000 1.256 201 P CA -0.234 62.532 63.100 -0.557 0.000 0.795 201 P CB 0.858 32.279 31.700 -0.465 0.000 1.038 202 E N 1.344 121.418 120.200 -0.210 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 -0.017 0.000 0.992 202 E CA -1.791 54.575 56.400 -0.058 0.000 0.803 202 E CB 0.588 30.297 29.700 0.016 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 0.858 178.183 177.300 0.042 0.000 1.148 203 P CA 1.503 64.618 63.100 0.025 0.000 0.834 203 P CB 0.165 31.882 31.700 0.029 0.000 0.783 204 Q N -1.011 118.816 119.800 0.044 0.000 2.224 204 Q HA -0.017 4.323 4.340 0.000 0.000 0.203 204 Q C 0.722 176.758 176.000 0.061 0.000 0.970 204 Q CA 0.675 56.510 55.803 0.052 0.000 0.865 204 Q CB -0.528 28.241 28.738 0.051 0.000 0.922 204 Q HN 0.287 nan 8.270 nan 0.000 0.445 205 I N 0.822 121.435 120.570 0.072 0.000 2.428 205 I HA 0.536 4.706 4.170 0.000 0.000 0.296 205 I C 0.360 176.553 176.117 0.126 0.000 0.985 205 I CA -0.565 60.798 61.300 0.105 0.000 1.260 205 I CB 1.616 39.701 38.000 0.142 0.000 1.389 205 I HN 0.124 nan 8.210 nan 0.000 0.484 206 G N 3.931 112.788 108.800 0.095 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 -1.345 173.561 174.900 0.009 0.000 1.372 206 G CA -0.652 44.483 45.100 0.058 0.000 0.781 206 G HN 0.508 nan 8.290 nan 0.000 0.491 207 E N 0.013 120.195 120.200 -0.029 0.000 2.415 207 E HA 0.172 4.522 4.350 0.000 0.000 0.262 207 E C 0.666 177.233 176.600 -0.056 0.000 1.038 207 E CA 0.133 56.493 56.400 -0.067 0.000 0.921 207 E CB 1.291 30.936 29.700 -0.091 0.000 0.950 207 E HN 0.289 nan 8.360 nan 0.000 0.438 208 S N 1.728 117.383 115.700 -0.075 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 -0.093 0.000 1.030 208 S CA 0.502 58.666 58.200 -0.059 0.000 0.958 208 S CB 0.151 63.323 63.200 -0.047 0.000 0.811 208 S HN 0.418 nan 8.310 nan 0.000 0.489 209 Q N 1.385 121.051 119.800 -0.223 0.000 2.312 209 Q HA 0.173 4.513 4.340 0.000 0.000 0.236 209 Q C 0.962 176.742 176.000 -0.367 0.000 0.965 209 Q CA -0.483 55.075 55.803 -0.407 0.000 0.894 209 Q CB 0.028 28.225 28.738 -0.901 0.000 1.225 209 Q HN 0.566 nan 8.270 nan 0.000 0.478 210 W N 0.347 121.457 121.300 -0.317 0.000 2.576 210 W HA 0.063 4.723 4.660 0.000 0.000 0.270 210 W C -0.279 176.177 176.519 -0.105 0.000 1.255 210 W CA -0.325 56.931 57.345 -0.148 0.000 1.314 210 W CB -0.564 28.876 29.460 -0.033 0.000 1.101 210 W HN 0.636 nan 8.180 nan 0.000 0.595 211 Y N 1.555 121.365 120.300 -0.817 0.000 2.304 211 Y HA 0.508 5.058 4.550 0.000 0.000 0.327 211 Y C 0.173 175.893 175.900 -0.299 0.000 1.209 211 Y CA -2.179 55.523 58.100 -0.662 0.000 1.299 211 Y CB 0.031 37.816 38.460 -1.125 0.000 1.249 211 Y HN -0.084 nan 8.280 nan 0.000 0.519 212 E N 1.493 121.729 120.200 0.060 0.000 2.351 212 E HA 0.026 4.376 4.350 0.000 0.000 0.266 212 E C -0.003 176.652 176.600 0.091 0.000 1.031 212 E CA 0.167 56.593 56.400 0.043 0.000 0.911 212 E CB 0.799 30.523 29.700 0.039 0.000 0.986 212 E HN 0.836 nan 8.360 nan 0.000 0.446 213 T N 3.187 117.775 114.554 0.057 0.000 3.069 213 T HA -0.009 4.341 4.350 0.000 0.000 0.252 213 T C -0.620 174.090 174.700 0.017 0.000 1.053 213 T CA -0.025 62.115 62.100 0.067 0.000 0.964 213 T CB 0.015 68.919 68.868 0.060 0.000 1.005 213 T HN 0.607 nan 8.240 nan 0.000 0.532 214 E N 1.150 121.353 120.200 0.004 0.000 5.234 214 E HA -0.123 4.227 4.350 0.000 0.000 0.170 214 E C -0.879 175.716 176.600 -0.010 0.000 1.556 214 E CA -0.054 56.343 56.400 -0.005 0.000 1.185 214 E CB -1.094 28.603 29.700 -0.005 0.000 1.023 214 E HN 0.519 nan 8.360 nan 0.000 0.337 215 I N 3.024 123.584 120.570 -0.016 0.000 2.416 215 I HA 0.050 4.220 4.170 0.000 0.000 0.288 215 I C 1.537 177.640 176.117 -0.023 0.000 1.051 215 I CA -0.267 61.024 61.300 -0.015 0.000 1.375 215 I CB 0.594 38.579 38.000 -0.025 0.000 1.407 215 I HN 0.415 nan 8.210 nan 0.000 0.516 216 N N 3.503 122.192 118.700 -0.018 0.000 2.402 216 N HA 0.009 4.749 4.740 0.000 0.000 0.174 216 N C -0.131 175.162 175.510 -0.362 0.000 1.027 216 N CA 0.765 53.721 53.050 -0.156 0.000 0.891 216 N CB 0.248 38.654 38.487 -0.136 0.000 1.016 216 N HN 0.566 nan 8.380 nan 0.000 0.439 217 H N -0.084 118.999 119.070 0.022 0.000 2.736 217 H HA 0.586 5.142 4.556 0.000 0.000 0.271 217 H C -0.577 174.783 175.328 0.052 0.000 1.184 217 H CA -0.524 55.555 56.048 0.053 0.000 1.378 217 H CB 1.062 30.857 29.762 0.056 0.000 1.428 217 H HN 0.076 nan 8.280 nan 0.000 0.500 218 A N 2.132 125.028 122.820 0.127 0.000 2.311 218 A HA 0.937 5.257 4.320 0.000 0.000 0.334 218 A C -0.425 177.268 177.584 0.181 0.000 1.139 218 A CA -0.225 51.884 52.037 0.120 0.000 0.830 218 A CB 0.929 19.967 19.000 0.063 0.000 1.234 218 A HN 0.701 nan 8.150 nan 0.000 0.483 219 A N -0.247 122.704 122.820 0.217 0.000 2.527 219 A HA 0.992 5.312 4.320 0.000 0.000 0.293 219 A C -0.089 177.606 177.584 0.185 0.000 1.117 219 A CA -0.117 52.066 52.037 0.244 0.000 0.723 219 A CB 1.634 20.819 19.000 0.308 0.000 1.313 219 A HN 2.430 nan 8.150 nan 0.000 0.411 220 G N -0.247 108.656 108.800 0.172 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 -1.682 173.290 174.900 0.121 0.000 1.397 220 G CA -0.889 44.273 45.100 0.103 0.000 0.790 220 G HN 0.740 nan 8.290 nan 0.000 0.486 221 R N -1.087 119.455 120.500 0.070 0.000 2.711 221 R HA 0.807 5.147 4.340 0.000 0.000 0.284 221 R C -1.158 175.183 176.300 0.068 0.000 0.968 221 R CA -0.849 55.300 56.100 0.082 0.000 0.924 221 R CB 2.516 32.838 30.300 0.037 0.000 1.162 221 R HN 0.508 nan 8.270 nan 0.000 0.465 222 V N 3.205 123.166 119.914 0.080 0.000 3.159 222 V HA 0.505 4.625 4.120 0.000 0.000 0.308 222 V C -1.444 174.695 176.094 0.074 0.000 1.190 222 V CA -0.978 61.364 62.300 0.071 0.000 1.037 222 V CB 2.549 34.413 31.823 0.067 0.000 1.060 222 V HN 0.566 nan 8.190 nan 0.000 0.437 223 L N 4.124 125.396 121.223 0.082 0.000 2.282 223 L HA 0.536 4.876 4.340 0.000 0.000 0.288 223 L C 0.296 177.219 176.870 0.088 0.000 1.033 223 L CA -0.592 54.294 54.840 0.077 0.000 0.807 223 L CB 1.398 43.503 42.059 0.077 0.000 1.209 223 L HN 0.602 nan 8.230 nan 0.000 0.423 224 K N 1.972 122.414 120.400 0.070 0.000 2.336 224 K HA -0.020 4.300 4.320 0.000 0.000 0.262 224 K C 1.031 177.682 176.600 0.086 0.000 0.992 224 K CA -0.107 56.221 56.287 0.069 0.000 0.927 224 K CB 0.671 33.200 32.500 0.048 0.000 0.956 224 K HN 0.545 nan 8.250 nan 0.000 0.495 225 K N -0.239 120.215 120.400 0.091 0.000 2.442 225 K HA -0.111 4.209 4.320 0.000 0.000 0.198 225 K C 1.138 177.792 176.600 0.090 0.000 1.044 225 K CA 1.677 58.033 56.287 0.116 0.000 0.948 225 K CB -0.223 32.346 32.500 0.115 0.000 0.762 225 K HN 0.619 nan 8.250 nan 0.000 0.472 226 T N -1.881 112.712 114.554 0.065 0.000 3.085 226 T HA -0.009 4.341 4.350 0.000 0.000 0.263 226 T C 0.665 175.392 174.700 0.045 0.000 1.127 226 T CA 0.192 62.322 62.100 0.050 0.000 1.103 226 T CB -0.122 68.768 68.868 0.037 0.000 0.921 226 T HN 0.044 nan 8.240 nan 0.000 0.510 227 T N 5.156 119.740 114.554 0.051 0.000 2.744 227 T HA 0.392 4.742 4.350 0.000 0.000 0.291 227 T C -2.542 172.188 174.700 0.050 0.000 0.957 227 T CA -1.372 60.752 62.100 0.042 0.000 1.002 227 T CB 1.363 70.253 68.868 0.038 0.000 0.919 227 T HN 0.193 nan 8.240 nan 0.000 0.468 228 P HA 0.053 nan 4.420 nan 0.000 0.266 228 P C -0.311 177.011 177.300 0.036 0.000 1.195 228 P CA -0.264 62.856 63.100 0.035 0.000 0.768 228 P CB 0.613 32.326 31.700 0.022 0.000 0.838 229 M N 3.153 122.772 119.600 0.032 0.000 2.217 229 M HA 0.132 4.612 4.480 0.000 0.000 0.354 229 M C 0.212 176.521 176.300 0.016 0.000 1.225 229 M CA 0.635 55.952 55.300 0.028 0.000 1.137 229 M CB 0.273 32.873 32.600 -0.000 0.000 1.576 229 M HN 0.194 nan 8.290 nan 0.000 0.461 230 K N 4.507 124.925 120.400 0.030 0.000 2.523 230 K HA 0.527 4.847 4.320 0.000 0.000 0.257 230 K C -2.750 173.883 176.600 0.054 0.000 0.932 230 K CA -1.800 54.508 56.287 0.035 0.000 0.812 230 K CB 1.697 34.221 32.500 0.039 0.000 1.326 230 K HN 0.297 nan 8.250 nan 0.000 0.433 231 P HA 0.029 nan 4.420 nan 0.000 0.268 231 P C 0.921 178.294 177.300 0.122 0.000 1.208 231 P CA -0.158 62.996 63.100 0.092 0.000 0.777 231 P CB 0.600 32.361 31.700 0.103 0.000 0.875 232 C N 3.328 122.711 119.300 0.137 0.000 2.413 232 C HA -0.165 4.295 4.460 0.000 0.000 0.276 232 C C 1.380 176.476 174.990 0.175 0.000 1.236 232 C CA 0.443 59.546 59.018 0.142 0.000 1.735 232 C CB -1.580 26.246 27.740 0.142 0.000 2.031 232 C HN 0.524 nan 8.230 nan 0.000 0.474 233 Y N 1.209 121.553 120.300 0.074 0.000 2.745 233 Y HA 0.367 4.917 4.550 0.000 0.000 0.335 233 Y C 1.221 177.181 175.900 0.101 0.000 1.212 233 Y CA 1.300 59.448 58.100 0.081 0.000 1.535 233 Y CB -0.056 38.434 38.460 0.051 0.000 1.220 233 Y HN 0.660 nan 8.280 nan 0.000 0.531 234 G N 3.017 111.690 108.800 -0.211 0.000 2.195 234 G HA2 -0.279 3.681 3.960 0.000 0.000 0.246 234 G HA3 -0.279 3.681 3.960 0.000 0.000 0.246 234 G C 0.235 175.196 174.900 0.101 0.000 0.984 234 G CA 0.142 45.210 45.100 -0.053 0.000 0.633 234 G HN 0.716 nan 8.290 nan 0.000 0.525 235 S N 0.225 115.976 115.700 0.084 0.000 2.531 235 S HA 0.557 5.027 4.470 0.000 0.000 0.279 235 S C -0.478 174.109 174.600 -0.021 0.000 1.305 235 S CA 0.071 58.297 58.200 0.043 0.000 1.058 235 S CB 1.000 64.230 63.200 0.049 0.000 0.899 235 S HN 0.752 nan 8.310 nan 0.000 0.493 236 Y N 1.408 121.540 120.300 -0.281 0.000 2.534 236 Y HA 0.626 5.176 4.550 0.000 0.000 0.345 236 Y C -1.101 174.652 175.900 -0.245 0.000 1.031 236 Y CA -0.995 56.827 58.100 -0.464 0.000 1.022 236 Y CB 1.403 39.262 38.460 -1.002 0.000 1.292 236 Y HN 0.668 nan 8.280 nan 0.000 0.459 237 A N 5.689 127.805 122.820 -1.174 0.000 2.485 237 A HA 0.478 4.798 4.320 0.000 0.000 0.285 237 A C -1.459 175.551 177.584 -0.957 0.000 1.045 237 A CA -0.998 50.535 52.037 -0.839 0.000 0.792 237 A CB 0.676 19.456 19.000 -0.367 0.000 1.307 237 A HN 0.803 nan 8.150 nan 0.000 0.406 238 K N 3.312 123.250 120.400 -0.769 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 -0.190 0.000 0.990 238 K CA -0.636 55.442 56.287 -0.349 0.000 0.994 238 K CB 0.323 32.773 32.500 -0.083 0.000 0.906 238 K HN 0.355 nan 8.250 nan 0.000 0.488 239 P HA 0.014 nan 4.420 nan 0.000 0.278 239 P C -0.115 177.164 177.300 -0.035 0.000 1.238 239 P CA -0.414 62.652 63.100 -0.056 0.000 0.794 239 P CB 1.316 33.001 31.700 -0.025 0.000 0.955 240 T N -1.763 112.775 114.554 -0.028 0.000 3.092 240 T HA 0.197 4.547 4.350 0.000 0.000 0.258 240 T C 0.226 174.918 174.700 -0.013 0.000 1.031 240 T CA -0.312 61.779 62.100 -0.016 0.000 0.925 240 T CB -0.752 68.110 68.868 -0.011 0.000 1.036 240 T HN 0.595 nan 8.240 nan 0.000 0.544 241 N N -0.691 117.995 118.700 -0.023 0.000 2.484 241 N HA 0.234 4.974 4.740 0.000 0.000 0.269 241 N C 0.171 175.635 175.510 -0.077 0.000 1.237 241 N CA -0.992 52.033 53.050 -0.041 0.000 0.838 241 N CB 1.272 39.741 38.487 -0.029 0.000 1.593 241 N HN -0.007 nan 8.380 nan 0.000 0.485 242 E N -0.162 119.981 120.200 -0.095 0.000 2.396 242 E HA -0.172 4.178 4.350 0.000 0.000 0.200 242 E C -0.053 176.435 176.600 -0.186 0.000 1.023 242 E CA 0.960 57.292 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 -0.607 117.916 118.700 -0.296 0.000 2.322 243 N HA 0.039 4.779 4.740 0.000 0.000 0.194 243 N C 0.854 176.209 175.510 -0.258 0.000 1.126 243 N CA 0.832 53.583 53.050 -0.499 0.000 0.845 243 N CB 1.255 38.939 38.487 -1.339 0.000 0.976 243 N HN 0.321 nan 8.380 nan 0.000 0.475 244 G N -0.030 108.699 108.800 -0.118 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 0.501 175.405 174.900 0.007 0.000 0.982 244 G CA -0.079 45.000 45.100 -0.034 0.000 0.641 244 G HN 0.557 nan 8.290 nan 0.000 0.527 245 G N -0.072 108.747 108.800 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 0.519 45.653 45.100 0.057 0.000 0.840 245 G HN 1.155 nan 8.290 nan 0.000 0.578 246 Q N 1.396 121.191 119.800 -0.008 0.000 2.233 246 Q HA 0.312 4.652 4.340 0.000 0.000 0.340 246 Q C 1.200 177.185 176.000 -0.026 0.000 0.899 246 Q CA -0.061 55.716 55.803 -0.043 0.000 1.139 246 Q CB 0.700 29.385 28.738 -0.088 0.000 1.273 246 Q HN 0.560 nan 8.270 nan 0.000 0.431 247 G N 1.060 109.859 108.800 -0.001 0.000 2.418 247 G HA2 0.006 3.966 3.960 0.000 0.000 0.217 247 G HA3 0.006 3.966 3.960 0.000 0.000 0.217 247 G C 0.939 175.841 174.900 0.002 0.000 1.158 247 G CA 1.525 46.630 45.100 0.008 0.000 0.771 247 G HN 0.514 nan 8.290 nan 0.000 0.545 248 I N -3.647 116.921 120.570 -0.003 0.000 1.251 248 I HA -0.007 4.163 4.170 0.000 0.000 0.295 248 I C -0.621 175.495 176.117 -0.002 0.000 0.524 248 I CA -0.304 60.994 61.300 -0.003 0.000 3.160 248 I CB -0.118 37.884 38.000 0.004 0.000 1.706 248 I HN 0.017 nan 8.210 nan 0.000 0.523 249 L N 1.126 122.351 121.223 0.004 0.000 3.065 249 L HA 0.006 4.346 4.340 0.000 0.000 0.429 249 L C -0.891 175.982 176.870 0.005 0.000 0.956 249 L CA -0.402 54.440 54.840 0.004 0.000 1.409 249 L CB -0.921 41.139 42.059 0.002 0.000 1.708 249 L HN 0.170 nan 8.230 nan 0.000 0.428 250 V N 0.921 120.839 119.914 0.006 0.000 2.668 250 V HA 0.812 4.932 4.120 0.000 0.000 0.304 250 V C -0.044 176.054 176.094 0.006 0.000 1.071 250 V CA 0.089 62.392 62.300 0.006 0.000 0.894 250 V CB 1.812 33.638 31.823 0.005 0.000 1.008 250 V HN 0.394 nan 8.190 nan 0.000 0.425 251 K N 3.578 123.981 120.400 0.006 0.000 2.972 251 K HA -0.196 4.124 4.320 0.000 0.000 0.853 251 K C 0.689 177.293 176.600 0.006 0.000 2.102 251 K CA 0.702 56.992 56.287 0.006 0.000 1.382 251 K CB -0.722 31.781 32.500 0.006 0.000 2.605 251 K HN 0.940 nan 8.250 nan 0.000 0.218 252 Q N 0.936 120.740 119.800 0.006 0.000 2.331 252 Q HA 0.067 4.407 4.340 0.000 0.000 0.203 252 Q C 0.234 176.236 176.000 0.004 0.000 0.944 252 Q CA 0.901 56.707 55.803 0.005 0.000 0.892 252 Q CB 0.478 29.218 28.738 0.004 0.000 0.983 252 Q HN 0.395 nan 8.270 nan 0.000 0.482 253 Q N -1.224 118.578 119.800 0.004 0.000 2.756 253 Q HA 0.190 4.530 4.340 0.000 0.000 0.295 253 Q C -0.870 175.132 176.000 0.003 0.000 0.903 253 Q CA -0.719 55.086 55.803 0.003 0.000 0.768 253 Q CB 1.012 29.751 28.738 0.002 0.000 1.472 253 Q HN 0.052 nan 8.270 nan 0.000 0.416 254 N N -0.323 118.379 118.700 0.003 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 2.047 55.098 53.050 0.003 0.000 1.090 254 N CB -1.522 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 0.491 4.451 3.960 0.000 0.000 0.269 255 G HA3 0.491 4.451 3.960 0.000 0.000 0.269 255 G C -0.103 174.800 174.900 0.005 0.000 1.209 255 G CA 0.141 45.244 45.100 0.004 0.000 0.835 255 G HN 0.736 nan 8.290 nan 0.000 0.534 256 K N 2.408 122.812 120.400 0.005 0.000 2.568 256 K HA 0.301 4.621 4.320 0.000 0.000 0.273 256 K C -0.565 176.039 176.600 0.006 0.000 0.951 256 K CA -0.818 55.473 56.287 0.006 0.000 0.854 256 K CB 0.873 33.377 32.500 0.006 0.000 1.424 256 K HN 0.336 nan 8.250 nan 0.000 0.427 257 L N 0.896 122.123 121.223 0.008 0.000 2.240 257 L HA 0.036 4.376 4.340 0.000 0.000 0.166 257 L C 1.483 178.360 176.870 0.011 0.000 0.893 257 L CA 0.130 54.976 54.840 0.010 0.000 1.058 257 L CB -0.267 41.800 42.059 0.013 0.000 1.371 257 L HN 0.662 nan 8.230 nan 0.000 0.480 258 E N -0.583 119.625 120.200 0.014 0.000 2.683 258 E HA -0.025 4.325 4.350 0.000 0.000 0.266 258 E C 0.690 177.300 176.600 0.016 0.000 1.434 258 E CA 0.282 56.693 56.400 0.018 0.000 1.137 258 E CB 0.362 30.076 29.700 0.023 0.000 0.992 258 E HN 0.573 nan 8.360 nan 0.000 0.607 259 S N -0.716 114.996 115.700 0.020 0.000 2.836 259 S HA 0.182 4.652 4.470 0.000 0.000 0.164 259 S C 0.422 175.033 174.600 0.018 0.000 0.714 259 S CA -0.458 57.752 58.200 0.017 0.000 0.906 259 S CB 0.405 63.615 63.200 0.018 0.000 0.702 259 S HN 0.471 nan 8.310 nan 0.000 0.571 260 Q N -0.964 118.849 119.800 0.022 0.000 2.397 260 Q HA 0.570 4.910 4.340 0.000 0.000 0.384 260 Q C -1.554 174.465 176.000 0.031 0.000 0.574 260 Q CA -0.362 55.454 55.803 0.021 0.000 1.025 260 Q CB 0.909 29.655 28.738 0.014 0.000 0.985 260 Q HN 0.646 nan 8.270 nan 0.000 0.456 261 V N 0.180 120.109 119.914 0.025 0.000 2.115 261 V HA -0.022 4.098 4.120 0.000 0.000 0.344 261 V C -1.842 174.252 176.094 0.001 0.000 1.564 261 V CA -0.620 61.700 62.300 0.033 0.000 0.889 261 V CB 0.663 32.530 31.823 0.074 0.000 1.226 261 V HN 0.743 nan 8.190 nan 0.000 0.228 262 E N 1.921 122.105 120.200 -0.027 0.000 2.311 262 E HA 0.588 4.938 4.350 0.000 0.000 0.281 262 E C -1.136 175.346 176.600 -0.197 0.000 0.905 262 E CA -0.777 55.570 56.400 -0.089 0.000 0.778 262 E CB 2.081 31.746 29.700 -0.058 0.000 1.240 262 E HN 0.646 nan 8.360 nan 0.000 0.410 263 M N 2.377 121.771 119.600 -0.344 0.000 2.211 263 M HA 0.229 4.709 4.480 0.000 0.000 0.356 263 M C -0.310 175.646 176.300 -0.573 0.000 1.216 263 M CA 0.209 55.123 55.300 -0.643 0.000 1.134 263 M CB 0.738 32.786 32.600 -0.920 0.000 1.564 263 M HN 0.272 nan 8.290 nan 0.000 0.463 264 Q N 3.312 122.760 119.800 -0.586 0.000 2.401 264 Q HA 0.421 4.761 4.340 0.000 0.000 0.260 264 Q C -1.438 173.968 176.000 -0.990 0.000 1.034 264 Q CA -0.345 55.093 55.803 -0.608 0.000 0.737 264 Q CB 1.116 29.691 28.738 -0.272 0.000 1.227 264 Q HN 0.498 nan 8.270 nan 0.000 0.488 265 F N 1.998 121.539 119.950 -0.682 0.000 2.471 265 F HA 0.384 4.911 4.527 0.000 0.000 0.353 265 F C 0.072 175.355 175.800 -0.861 0.000 1.113 265 F CA 0.067 57.749 58.000 -0.529 0.000 1.262 265 F CB 0.425 39.258 39.000 -0.278 0.000 1.146 265 F HN 0.344 nan 8.300 nan 0.000 0.578 266 F N 0.141 120.168 119.950 0.128 0.000 2.588 266 F HA 0.539 5.066 4.527 0.000 0.000 0.310 266 F C 0.064 175.893 175.800 0.048 0.000 1.082 266 F CA -0.911 57.123 58.000 0.057 0.000 0.929 266 F CB 1.908 40.915 39.000 0.012 0.000 1.254 266 F HN 0.468 nan 8.300 nan 0.000 0.455 267 S N -0.540 115.282 115.700 0.203 0.000 2.753 267 S HA 0.605 5.075 4.470 0.000 0.000 0.302 267 S C 0.007 174.658 174.600 0.085 0.000 1.104 267 S CA -0.351 57.913 58.200 0.107 0.000 0.968 267 S CB 1.534 64.770 63.200 0.059 0.000 1.278 267 S HN 0.545 nan 8.310 nan 0.000 0.549 268 T N 0.773 115.354 114.554 0.046 0.000 3.132 268 T HA 0.336 4.686 4.350 0.000 0.000 0.274 268 T C -0.385 174.329 174.700 0.023 0.000 1.011 268 T CA 0.323 62.440 62.100 0.029 0.000 0.899 268 T CB -0.296 68.579 68.868 0.013 0.000 1.089 268 T HN 0.867 nan 8.240 nan 0.000 0.543 269 T N 2.618 117.187 114.554 0.026 0.000 4.385 269 T HA -0.146 4.204 4.350 0.000 0.000 0.330 269 T C -0.135 174.572 174.700 0.011 0.000 0.771 269 T CA 0.479 62.589 62.100 0.018 0.000 1.973 269 T CB -1.570 67.308 68.868 0.017 0.000 1.908 269 T HN 0.558 nan 8.240 nan 0.000 0.933 270 E N 1.480 121.685 120.200 0.008 0.000 2.129 270 E HA 0.510 4.860 4.350 0.000 0.000 0.283 270 E C 0.593 177.193 176.600 0.001 0.000 1.080 270 E CA 0.266 56.669 56.400 0.004 0.000 0.867 270 E CB 0.824 30.525 29.700 0.001 0.000 1.056 270 E HN 0.832 nan 8.360 nan 0.000 0.404 271 A N 2.756 125.577 122.820 0.001 0.000 2.434 271 A HA -0.157 4.163 4.320 0.000 0.000 0.686 271 A C 0.965 178.548 177.584 -0.002 0.000 0.138 271 A CA 0.575 52.612 52.037 -0.001 0.000 0.027 271 A CB -1.588 17.410 19.000 -0.003 0.000 3.972 271 A HN 0.856 nan 8.150 nan 0.000 0.548 272 T N 1.131 115.684 114.554 -0.002 0.000 2.814 272 T HA 0.636 4.986 4.350 0.000 0.000 0.254 272 T C 1.483 176.179 174.700 -0.006 0.000 1.037 272 T CA 2.095 64.193 62.100 -0.003 0.000 1.143 272 T CB -0.219 68.648 68.868 -0.002 0.000 0.866 272 T HN 2.612 nan 8.240 nan 0.000 0.431 273 A N 1.369 124.186 122.820 -0.006 0.000 2.454 273 A HA 0.546 4.866 4.320 0.000 0.000 0.260 273 A C 0.865 178.443 177.584 -0.009 0.000 1.106 273 A CA 0.028 52.060 52.037 -0.007 0.000 0.780 273 A CB -0.183 18.813 19.000 -0.006 0.000 1.044 273 A HN 0.676 nan 8.150 nan 0.000 0.498 274 G N 2.660 111.453 108.800 -0.012 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 0.252 175.143 174.900 -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 2.385 121.078 118.700 -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 -0.012 0.000 1.172 275 N CB 0.292 38.774 38.487 -0.009 0.000 1.498 275 N HN 0.396 nan 8.380 nan 0.000 0.602 276 G N 1.165 109.958 108.800 -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 -0.288 174.606 174.900 -0.010 0.000 1.051 276 G CA -0.163 44.931 45.100 -0.011 0.000 0.809 276 G HN 0.389 nan 8.290 nan 0.000 0.531 277 D N 0.869 121.263 120.400 -0.010 0.000 2.368 277 D HA 0.019 4.659 4.640 0.000 0.000 0.240 277 D C -0.373 175.920 176.300 -0.011 0.000 1.169 277 D CA -0.464 53.531 54.000 -0.009 0.000 0.906 277 D CB 0.585 41.380 40.800 -0.008 0.000 1.187 277 D HN -0.013 nan 8.370 nan 0.000 0.435 278 N N 1.856 120.551 118.700 -0.008 0.000 2.558 278 N HA 0.104 4.844 4.740 0.000 0.000 0.233 278 N C 0.480 175.983 175.510 -0.011 0.000 1.038 278 N CA -0.428 52.617 53.050 -0.009 0.000 0.934 278 N CB 1.006 39.494 38.487 0.002 0.000 1.175 278 N HN 0.322 nan 8.380 nan 0.000 0.512 279 L N 1.097 122.307 121.223 -0.022 0.000 2.740 279 L HA -0.114 4.226 4.340 0.000 0.000 0.242 279 L C 0.815 177.673 176.870 -0.020 0.000 1.175 279 L CA 0.568 55.393 54.840 -0.024 0.000 0.859 279 L CB -1.381 40.653 42.059 -0.042 0.000 0.992 279 L HN 0.511 nan 8.230 nan 0.000 0.454 280 T N -0.950 113.598 114.554 -0.009 0.000 2.657 280 T HA -0.070 4.280 4.350 0.000 0.000 0.245 280 T C -1.895 172.818 174.700 0.023 0.000 1.021 280 T CA -1.151 60.957 62.100 0.014 0.000 1.155 280 T CB -0.609 68.282 68.868 0.039 0.000 1.022 280 T HN 0.119 nan 8.240 nan 0.000 0.477 281 P HA 0.244 nan 4.420 nan 0.000 0.271 281 P C 0.231 177.568 177.300 0.062 0.000 1.233 281 P CA -0.475 62.690 63.100 0.108 0.000 0.789 281 P CB 0.904 32.750 31.700 0.243 0.000 0.951 282 K N -0.683 119.761 120.400 0.073 0.000 2.450 282 K HA 0.305 4.625 4.320 0.000 0.000 0.206 282 K C -0.613 176.020 176.600 0.055 0.000 1.148 282 K CA 0.119 56.406 56.287 -0.000 0.000 1.014 282 K CB 0.847 33.343 32.500 -0.006 0.000 0.966 282 K HN 0.194 nan 8.250 nan 0.000 0.566 283 V N 1.473 121.472 119.914 0.143 0.000 2.823 283 V HA 0.164 4.284 4.120 0.000 0.000 0.296 283 V C -1.172 175.054 176.094 0.220 0.000 1.250 283 V CA -0.941 61.456 62.300 0.163 0.000 0.939 283 V CB 2.142 34.034 31.823 0.116 0.000 1.062 283 V HN -0.259 nan 8.190 nan 0.000 0.433 284 V N 6.225 126.237 119.914 0.164 0.000 2.347 284 V HA 0.515 4.635 4.120 0.000 0.000 0.280 284 V C -0.172 175.971 176.094 0.083 0.000 1.021 284 V CA -0.428 61.883 62.300 0.019 0.000 0.847 284 V CB 1.501 33.293 31.823 -0.052 0.000 0.990 284 V HN 0.629 nan 8.190 nan 0.000 0.444 285 L N 5.238 126.496 121.223 0.058 0.000 2.282 285 L HA 0.490 4.830 4.340 0.000 0.000 0.288 285 L C -0.969 175.888 176.870 -0.022 0.000 1.033 285 L CA -0.648 54.271 54.840 0.133 0.000 0.807 285 L CB 1.324 43.520 42.059 0.229 0.000 1.209 285 L HN 0.555 nan 8.230 nan 0.000 0.423 286 Y N 1.651 121.931 120.300 -0.033 0.000 2.802 286 Y HA 0.131 4.681 4.550 0.000 0.000 0.330 286 Y C 1.021 176.908 175.900 -0.022 0.000 1.193 286 Y CA -0.694 57.374 58.100 -0.054 0.000 1.427 286 Y CB 0.424 38.844 38.460 -0.066 0.000 1.357 286 Y HN 0.545 nan 8.280 nan 0.000 0.501 287 S N 2.120 117.856 115.700 0.059 0.000 2.572 287 S HA 0.456 4.926 4.470 0.000 0.000 0.279 287 S C -0.150 174.483 174.600 0.055 0.000 1.341 287 S CA -0.572 57.664 58.200 0.060 0.000 1.043 287 S CB 1.113 64.338 63.200 0.042 0.000 0.887 287 S HN 0.717 nan 8.310 nan 0.000 0.516 288 E N 0.325 120.556 120.200 0.053 0.000 2.429 288 E HA 0.380 4.730 4.350 0.000 0.000 0.280 288 E C -2.120 174.500 176.600 0.033 0.000 1.068 288 E CA -1.026 55.399 56.400 0.041 0.000 0.837 288 E CB 0.781 30.508 29.700 0.046 0.000 1.357 288 E HN 0.490 nan 8.360 nan 0.000 0.455 289 D N 1.115 121.528 120.400 0.023 0.000 2.217 289 D HA 0.450 5.090 4.640 0.000 0.000 0.243 289 D C -0.489 175.812 176.300 0.001 0.000 1.054 289 D CA -0.308 53.701 54.000 0.016 0.000 0.838 289 D CB 2.154 42.963 40.800 0.015 0.000 1.162 289 D HN 0.434 nan 8.370 nan 0.000 0.472 290 V N -0.736 119.173 119.914 -0.010 0.000 2.914 290 V HA 0.409 4.529 4.120 0.000 0.000 0.314 290 V C 0.100 176.165 176.094 -0.048 0.000 1.084 290 V CA -0.959 61.318 62.300 -0.039 0.000 0.963 290 V CB 2.402 34.190 31.823 -0.058 0.000 1.025 290 V HN 0.326 nan 8.190 nan 0.000 0.432 291 D N 2.862 123.219 120.400 -0.071 0.000 2.671 291 D HA 0.165 4.805 4.640 0.000 0.000 0.228 291 D C 0.116 176.360 176.300 -0.093 0.000 1.102 291 D CA 0.131 54.092 54.000 -0.064 0.000 1.044 291 D CB 0.112 40.875 40.800 -0.062 0.000 1.113 291 D HN 0.701 nan 8.370 nan 0.000 0.480 292 I N 2.411 122.941 120.570 -0.068 0.000 2.618 292 I HA 0.004 4.174 4.170 0.000 0.000 0.284 292 I C 0.218 176.319 176.117 -0.026 0.000 1.146 292 I CA 0.216 61.475 61.300 -0.067 0.000 1.425 292 I CB 0.285 38.265 38.000 -0.033 0.000 1.383 292 I HN 0.269 nan 8.210 nan 0.000 0.562 293 E N 3.864 124.056 120.200 -0.013 0.000 2.408 293 E HA 0.462 4.812 4.350 0.000 0.000 0.275 293 E C -1.306 175.328 176.600 0.057 0.000 0.935 293 E CA -0.921 55.504 56.400 0.043 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 -0.995 113.597 114.554 0.065 0.000 3.327 294 T HA 0.314 4.664 4.350 0.000 0.000 0.373 294 T C -1.789 172.966 174.700 0.091 0.000 1.589 294 T CA -1.423 60.725 62.100 0.079 0.000 1.497 294 T CB 0.816 69.732 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 0.318 177.665 177.300 0.079 0.000 1.151 295 P CA 1.139 64.289 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 -1.331 119.139 120.400 0.117 0.000 2.563 296 D HA 0.070 4.710 4.640 0.000 0.000 0.237 296 D C 0.206 176.561 176.300 0.093 0.000 1.282 296 D CA -0.246 53.793 54.000 0.065 0.000 0.816 296 D CB -0.320 40.514 40.800 0.057 0.000 1.066 296 D HN 0.142 nan 8.370 nan 0.000 0.501 297 T N -2.671 111.963 114.554 0.133 0.000 2.865 297 T HA 0.625 4.975 4.350 0.000 0.000 0.294 297 T C -0.588 174.246 174.700 0.223 0.000 1.119 297 T CA -0.862 61.344 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 -1.157 174.189 175.328 0.029 0.000 1.238 298 H CA -1.439 54.622 56.048 0.023 0.000 1.124 298 H CB 0.753 30.504 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 -0.092 0.000 1.079 299 I CA 0.219 61.489 61.300 -0.051 0.000 1.387 299 I CB 0.983 38.971 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 -0.119 0.000 2.524 300 S HA 0.017 4.487 4.470 0.000 0.000 0.216 300 S C 0.110 174.754 174.600 0.073 0.000 0.987 300 S CA 0.077 58.230 58.200 -0.079 0.000 0.909 300 S CB -0.037 63.087 63.200 -0.127 0.000 0.781 300 S HN 0.597 nan 8.310 nan 0.000 0.521 301 Y N 1.282 121.538 120.300 -0.074 0.000 2.294 301 Y HA 0.557 5.107 4.550 0.000 0.000 0.329 301 Y C -1.310 174.562 175.900 -0.047 0.000 1.135 301 Y CA -1.348 56.720 58.100 -0.053 0.000 1.213 301 Y CB 1.017 39.442 38.460 -0.058 0.000 1.141 301 Y HN 0.048 nan 8.280 nan 0.000 0.446 302 M N 9.037 128.317 119.600 -0.532 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 -2.628 52.377 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 1.153 63.957 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 -1.086 113.349 114.554 -0.199 0.000 2.907 304 T HA 0.342 4.692 4.350 0.000 0.000 0.292 304 T C 0.819 175.453 174.700 -0.110 0.000 1.043 304 T CA -0.531 61.493 62.100 -0.128 0.000 1.003 304 T CB 1.751 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 0.782 121.305 120.570 -0.078 0.000 2.716 305 I HA 0.128 4.298 4.170 0.000 0.000 0.259 305 I C 0.650 176.738 176.117 -0.048 0.000 1.172 305 I CA 0.509 61.773 61.300 -0.060 0.000 1.478 305 I CB 0.103 38.077 38.000 -0.044 0.000 1.104 305 I HN 0.501 nan 8.210 nan 0.000 0.439 306 K N 2.888 123.260 120.400 -0.046 0.000 2.511 306 K HA -0.040 4.280 4.320 0.000 0.000 0.280 306 K C -0.020 176.560 176.600 -0.033 0.000 1.008 306 K CA 0.343 56.610 56.287 -0.034 0.000 1.050 306 K CB 0.263 32.743 32.500 -0.032 0.000 0.889 306 K HN 0.312 nan 8.250 nan 0.000 0.484 307 E N 0.677 120.865 120.200 -0.020 0.000 2.371 307 E HA 0.307 4.657 4.350 0.000 0.000 0.257 307 E C 0.258 176.854 176.600 -0.006 0.000 1.134 307 E CA -0.125 56.267 56.400 -0.014 0.000 0.919 307 E CB 0.818 30.515 29.700 -0.005 0.000 1.025 307 E HN 0.711 nan 8.360 nan 0.000 0.438 308 G N 1.478 110.279 108.800 0.001 0.000 2.719 308 G HA2 -0.184 3.776 3.960 0.000 0.000 0.686 308 G HA3 -0.184 3.776 3.960 0.000 0.000 0.686 308 G C -0.816 174.091 174.900 0.012 0.000 1.201 308 G CA -1.007 44.104 45.100 0.017 0.000 0.768 308 G HN 0.450 nan 8.290 nan 0.000 0.629 309 N N 0.522 119.248 118.700 0.043 0.000 2.497 309 N HA 0.574 5.314 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 0.710 53.784 53.050 0.040 0.000 0.948 309 N CB 1.448 40.005 38.487 0.117 0.000 1.069 309 N HN 1.275 nan 8.380 nan 0.000 0.460 310 S N 0.477 116.087 115.700 -0.150 0.000 2.638 310 S HA 0.410 4.880 4.470 0.000 0.000 0.274 310 S C 0.820 174.918 174.600 -0.837 0.000 1.157 310 S CA -0.971 57.044 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 0.463 120.329 120.500 -1.057 0.000 2.105 311 R HA -0.103 4.237 4.340 0.000 0.000 0.239 311 R C 1.423 177.362 176.300 -0.601 0.000 1.135 311 R CA 1.778 57.219 56.100 -1.098 0.000 0.967 311 R CB -0.361 29.621 30.300 -0.530 0.000 0.861 311 R HN 0.731 nan 8.270 nan 0.000 0.442 312 E N 0.928 120.899 120.200 -0.381 0.000 2.070 312 E HA -0.232 4.118 4.350 0.000 0.000 0.197 312 E C 2.009 178.463 176.600 -0.244 0.000 1.004 312 E CA 1.154 57.405 56.400 -0.247 0.000 0.805 312 E CB -0.335 29.261 29.700 -0.174 0.000 0.744 312 E HN 0.445 nan 8.360 nan 0.000 0.451 313 L N 0.291 121.352 121.223 -0.269 0.000 2.450 313 L HA -0.083 4.257 4.340 0.000 0.000 0.224 313 L C 2.390 179.134 176.870 -0.210 0.000 1.149 313 L CA 0.419 55.130 54.840 -0.214 0.000 0.816 313 L CB -0.294 41.657 42.059 -0.180 0.000 0.932 313 L HN 0.145 nan 8.230 nan 0.000 0.449 314 M N -1.023 118.396 119.600 -0.302 0.000 2.557 314 M HA -0.050 4.430 4.480 0.000 0.000 0.259 314 M C 1.707 177.903 176.300 -0.174 0.000 1.086 314 M CA 1.067 56.200 55.300 -0.279 0.000 1.096 314 M CB -0.280 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 0.347 109.073 108.800 -0.123 0.000 3.189 315 G HA2 0.047 4.007 3.960 0.000 0.000 0.225 315 G HA3 0.047 4.007 3.960 0.000 0.000 0.225 315 G C 0.330 175.291 174.900 0.102 0.000 1.159 315 G CA -0.397 44.695 45.100 -0.014 0.000 0.763 315 G HN 0.554 nan 8.290 nan 0.000 0.549 316 Q N 0.041 119.852 119.800 0.019 0.000 2.340 316 Q HA 0.480 4.820 4.340 0.000 0.000 0.249 316 Q C -0.784 175.259 176.000 0.072 0.000 0.957 316 Q CA -0.178 55.649 55.803 0.040 0.000 0.882 316 Q CB 0.939 29.640 28.738 -0.062 0.000 1.235 316 Q HN 0.223 nan 8.270 nan 0.000 0.439 317 Q N 1.014 120.875 119.800 0.103 0.000 2.345 317 Q HA 0.500 4.840 4.340 0.000 0.000 0.268 317 Q C -1.235 174.763 176.000 -0.003 0.000 1.054 317 Q CA -0.737 55.089 55.803 0.038 0.000 0.835 317 Q CB 2.489 31.241 28.738 0.024 0.000 1.339 317 Q HN 0.716 nan 8.270 nan 0.000 0.447 318 S N 1.668 117.358 115.700 -0.016 0.000 2.549 318 S HA 0.779 5.249 4.470 0.000 0.000 0.297 318 S C -1.088 173.471 174.600 -0.069 0.000 1.115 318 S CA -0.627 57.579 58.200 0.010 0.000 1.059 318 S CB 0.851 64.171 63.200 0.200 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 0.002 0.000 1.173 319 M CA -2.138 53.076 55.300 -0.143 0.000 0.905 319 M CB 2.519 34.917 32.600 -0.337 0.000 1.692 319 M HN 0.409 nan 8.290 nan 0.000 0.462 320 P HA 0.083 nan 4.420 nan 0.000 0.271 320 P C -1.217 176.194 177.300 0.185 0.000 1.216 320 P CA -0.066 63.154 63.100 0.200 0.000 0.776 320 P CB 0.332 32.155 31.700 0.205 0.000 0.881 321 N N 2.651 121.450 118.700 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 53.138 53.050 0.093 0.000 0.917 321 N CB 0.177 38.708 38.487 0.073 0.000 1.117 321 N HN 0.295 nan 8.380 nan 0.000 0.442 322 R N 1.821 122.242 120.500 -0.133 0.000 2.570 322 R HA 0.112 4.452 4.340 0.000 0.000 0.277 322 R C -1.874 174.317 176.300 -0.181 0.000 1.039 322 R CA -0.902 55.073 56.100 -0.208 0.000 1.065 322 R CB -0.074 30.032 30.300 -0.324 0.000 0.964 322 R HN 0.429 nan 8.270 nan 0.000 0.428 323 P HA 0.004 nan 4.420 nan 0.000 0.271 323 P C -0.961 176.175 177.300 -0.274 0.000 1.218 323 P CA -0.110 62.765 63.100 -0.376 0.000 0.780 323 P CB 0.651 32.126 31.700 -0.376 0.000 0.901 324 N N 1.736 120.181 118.700 -0.425 0.000 2.629 324 N HA 0.212 4.952 4.740 0.000 0.000 0.277 324 N C -1.767 173.579 175.510 -0.275 0.000 1.188 324 N CA -0.409 52.506 53.050 -0.224 0.000 0.835 324 N CB 0.160 38.574 38.487 -0.121 0.000 1.420 324 N HN 0.143 nan 8.380 nan 0.000 0.542 325 Y N 2.748 123.080 120.300 0.053 0.000 2.319 325 Y HA 0.480 5.030 4.550 0.000 0.000 0.328 325 Y C 0.580 176.587 175.900 0.178 0.000 1.133 325 Y CA -0.105 58.091 58.100 0.160 0.000 1.265 325 Y CB 0.912 39.456 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 0.400 0.000 2.533 326 I HA 0.774 4.944 4.170 0.000 0.000 0.290 326 I C -0.454 175.621 176.117 -0.070 0.000 1.056 326 I CA -0.692 60.656 61.300 0.080 0.000 1.057 326 I CB 1.747 39.721 38.000 -0.043 0.000 1.240 326 I HN 0.720 nan 8.210 nan 0.000 0.423 327 A N 4.713 127.464 122.820 -0.114 0.000 2.536 327 A HA 0.743 5.063 4.320 0.000 0.000 0.293 327 A C -1.533 175.944 177.584 -0.177 0.000 1.119 327 A CA -0.552 51.379 52.037 -0.176 0.000 0.654 327 A CB 0.778 19.759 19.000 -0.031 0.000 1.291 327 A HN 0.395 nan 8.150 nan 0.000 0.439 328 F N 1.289 121.219 119.950 -0.033 0.000 2.444 328 F HA 0.473 5.000 4.527 0.000 0.000 0.331 328 F C 1.546 177.327 175.800 -0.031 0.000 1.167 328 F CA 0.484 58.495 58.000 0.017 0.000 1.262 328 F CB 0.665 39.758 39.000 0.155 0.000 1.196 328 F HN 0.531 nan 8.300 nan 0.000 0.583 329 R N 0.326 120.958 120.500 0.219 0.000 2.649 329 R HA 0.105 4.445 4.340 0.000 0.000 0.270 329 R C -0.699 175.579 176.300 -0.036 0.000 1.105 329 R CA -0.832 55.318 56.100 0.083 0.000 1.193 329 R CB 0.179 30.546 30.300 0.112 0.000 1.120 329 R HN 0.508 nan 8.270 nan 0.000 0.561 330 D N 0.795 121.174 120.400 -0.034 0.000 2.487 330 D HA -0.083 4.557 4.640 0.000 0.000 0.243 330 D C -0.316 175.950 176.300 -0.057 0.000 1.154 330 D CA 0.912 54.873 54.000 -0.066 0.000 0.876 330 D CB -0.024 40.765 40.800 -0.019 0.000 1.161 330 D HN 0.598 nan 8.370 nan 0.000 0.478 331 N N 2.765 121.390 118.700 -0.125 0.000 2.714 331 N HA -0.285 4.455 4.740 0.000 0.000 0.250 331 N C -0.230 175.301 175.510 0.034 0.000 1.117 331 N CA 0.478 53.509 53.050 -0.032 0.000 0.719 331 N CB -1.531 37.033 38.487 0.128 0.000 1.081 331 N HN 0.542 nan 8.380 nan 0.000 0.557 332 F N -1.936 118.057 119.950 0.072 0.000 3.091 332 F HA -0.271 4.256 4.527 0.000 0.000 0.288 332 F C 0.528 176.375 175.800 0.079 0.000 0.907 332 F CA 0.079 58.111 58.000 0.054 0.000 1.028 332 F CB -1.456 37.546 39.000 0.004 0.000 1.022 332 F HN 0.198 nan 8.300 nan 0.000 0.665 333 I N 0.826 121.513 120.570 0.196 0.000 2.775 333 I HA 0.106 4.276 4.170 0.000 0.000 0.290 333 I C 1.559 177.788 176.117 0.187 0.000 1.203 333 I CA 1.582 62.985 61.300 0.172 0.000 1.433 333 I CB 0.334 38.404 38.000 0.118 0.000 1.354 333 I HN 0.553 nan 8.210 nan 0.000 0.579 334 G N 4.486 113.386 108.800 0.167 0.000 2.268 334 G HA2 -0.287 3.673 3.960 0.000 0.000 0.240 334 G HA3 -0.287 3.673 3.960 0.000 0.000 0.240 334 G C 0.871 175.819 174.900 0.079 0.000 1.010 334 G CA 0.313 45.478 45.100 0.109 0.000 0.618 334 G HN 0.567 nan 8.290 nan 0.000 0.516 335 L N 0.026 121.342 121.223 0.155 0.000 2.046 335 L HA 0.253 4.593 4.340 0.000 0.000 0.208 335 L C 1.775 178.685 176.870 0.067 0.000 1.077 335 L CA 1.256 56.200 54.840 0.174 0.000 0.747 335 L CB -0.161 42.008 42.059 0.184 0.000 0.896 335 L HN 0.414 nan 8.230 nan 0.000 0.432 336 M N -1.965 117.594 119.600 -0.069 0.000 2.423 336 M HA 0.224 4.704 4.480 0.000 0.000 0.335 336 M C -1.144 174.950 176.300 -0.343 0.000 1.177 336 M CA -0.507 54.591 55.300 -0.338 0.000 1.038 336 M CB 1.637 33.909 32.600 -0.546 0.000 1.641 336 M HN -0.198 nan 8.290 nan 0.000 0.455 337 Y N 1.637 121.767 120.300 -0.283 0.000 2.335 337 Y HA 0.292 4.842 4.550 0.000 0.000 0.331 337 Y C -0.921 174.832 175.900 -0.245 0.000 1.094 337 Y CA 0.545 58.533 58.100 -0.186 0.000 1.253 337 Y CB 0.456 38.803 38.460 -0.188 0.000 1.203 337 Y HN 0.392 nan 8.280 nan 0.000 0.508 338 Y N 0.833 121.302 120.300 0.281 0.000 2.562 338 Y HA 0.230 4.780 4.550 0.000 0.000 0.345 338 Y C -0.052 175.964 175.900 0.194 0.000 1.045 338 Y CA -2.179 56.072 58.100 0.252 0.000 1.028 338 Y CB 1.467 40.099 38.460 0.287 0.000 1.297 338 Y HN 0.643 nan 8.280 nan 0.000 0.463 339 N N 0.147 119.057 118.700 0.349 0.000 2.721 339 N HA -0.186 4.554 4.740 0.000 0.000 0.249 339 N C -1.002 174.604 175.510 0.160 0.000 1.072 339 N CA 1.137 54.334 53.050 0.245 0.000 0.710 339 N CB -1.295 37.359 38.487 0.278 0.000 0.993 339 N HN 0.401 nan 8.380 nan 0.000 0.547 340 S N -0.584 115.178 115.700 0.104 0.000 2.652 340 S HA 0.237 4.707 4.470 0.000 0.000 0.252 340 S C 1.396 175.971 174.600 -0.043 0.000 1.219 340 S CA -0.286 57.948 58.200 0.056 0.000 1.151 340 S CB 1.392 64.671 63.200 0.132 0.000 1.080 340 S HN 0.371 nan 8.310 nan 0.000 0.481 341 T N 0.126 114.655 114.554 -0.042 0.000 2.869 341 T HA -0.136 4.214 4.350 0.000 0.000 0.270 341 T C 1.907 176.538 174.700 -0.115 0.000 1.082 341 T CA 1.560 63.612 62.100 -0.080 0.000 1.123 341 T CB -0.373 68.463 68.868 -0.052 0.000 0.856 341 T HN 0.624 nan 8.240 nan 0.000 0.499 342 G N 1.216 109.949 108.800 -0.111 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 0.989 175.753 174.900 -0.225 0.000 1.133 342 G CA 0.005 45.025 45.100 -0.134 0.000 0.792 342 G HN 0.581 nan 8.290 nan 0.000 0.539 343 N N 0.131 118.641 118.700 -0.316 0.000 2.642 343 N HA 0.186 4.926 4.740 0.000 0.000 0.308 343 N C -0.589 174.638 175.510 -0.472 0.000 1.914 343 N CA -0.203 52.556 53.050 -0.486 0.000 0.893 343 N CB 0.924 38.835 38.487 -0.960 0.000 1.322 343 N HN 0.213 nan 8.380 nan 0.000 0.490 344 M N 0.970 120.332 119.600 -0.396 0.000 2.228 344 M HA 0.217 4.697 4.480 0.000 0.000 0.351 344 M C 0.925 176.800 176.300 -0.708 0.000 1.233 344 M CA -0.034 54.982 55.300 -0.473 0.000 1.129 344 M CB 0.667 33.068 32.600 -0.331 0.000 1.604 344 M HN 0.217 nan 8.290 nan 0.000 0.457 345 G N 3.023 111.123 108.800 -1.167 0.000 2.667 345 G HA2 0.464 4.424 3.960 0.000 0.000 0.250 345 G HA3 0.464 4.424 3.960 0.000 0.000 0.250 345 G C -1.209 173.251 174.900 -0.732 0.000 1.212 345 G CA -0.640 43.402 45.100 -1.764 0.000 0.874 345 G HN 0.642 nan 8.290 nan 0.000 0.561 346 V N 0.927 120.659 119.914 -0.303 0.000 2.623 346 V HA 0.500 4.620 4.120 0.000 0.000 0.304 346 V C -0.894 175.388 176.094 0.313 0.000 1.054 346 V CA -0.615 61.693 62.300 0.014 0.000 0.882 346 V CB 1.636 33.454 31.823 -0.008 0.000 1.002 346 V HN 0.677 nan 8.190 nan 0.000 0.424 347 L N 4.816 126.195 121.223 0.259 0.000 2.504 347 L HA 0.951 5.291 4.340 0.000 0.000 0.265 347 L C -0.398 176.583 176.870 0.185 0.000 0.975 347 L CA -0.054 54.943 54.840 0.261 0.000 0.864 347 L CB 1.282 43.451 42.059 0.184 0.000 1.212 347 L HN 0.859 nan 8.230 nan 0.000 0.416 348 A N 2.967 125.913 122.820 0.210 0.000 2.549 348 A HA 0.842 5.162 4.320 0.000 0.000 0.297 348 A C -0.201 177.528 177.584 0.243 0.000 1.061 348 A CA -0.200 51.956 52.037 0.197 0.000 0.690 348 A CB 1.279 20.356 19.000 0.129 0.000 1.287 348 A HN 0.904 nan 8.150 nan 0.000 0.402 349 G N -0.165 108.768 108.800 0.221 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 -0.079 45.057 45.100 0.061 0.000 0.846 349 G HN 0.842 nan 8.290 nan 0.000 0.555 350 Q N 1.375 121.131 119.800 -0.075 0.000 2.050 350 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 350 Q C 2.961 178.945 176.000 -0.028 0.000 0.980 350 Q CA 1.745 57.527 55.803 -0.036 0.000 0.840 350 Q CB -0.110 28.596 28.738 -0.053 0.000 0.898 350 Q HN 0.712 nan 8.270 nan 0.000 0.424 351 A N 0.057 122.849 122.820 -0.047 0.000 1.902 351 A HA -0.197 4.123 4.320 0.000 0.000 0.217 351 A C 2.141 179.723 177.584 -0.003 0.000 1.181 351 A CA 1.767 53.787 52.037 -0.028 0.000 0.623 351 A CB -0.742 18.235 19.000 -0.039 0.000 0.818 351 A HN 0.336 nan 8.150 nan 0.000 0.443 352 S N -1.790 113.917 115.700 0.012 0.000 2.368 352 S HA -0.232 4.238 4.470 0.000 0.000 0.224 352 S C 1.394 176.019 174.600 0.041 0.000 1.029 352 S CA 1.730 59.955 58.200 0.041 0.000 0.988 352 S CB -0.319 62.924 63.200 0.071 0.000 0.838 352 S HN 0.608 nan 8.310 nan 0.000 0.462 353 Q N -1.197 118.626 119.800 0.039 0.000 2.177 353 Q HA -0.200 4.140 4.340 0.000 0.000 0.174 353 Q C -0.223 175.804 176.000 0.045 0.000 0.609 353 Q CA 1.029 56.853 55.803 0.035 0.000 1.453 353 Q CB -1.340 27.410 28.738 0.020 0.000 1.591 353 Q HN 0.444 nan 8.270 nan 0.000 0.818 354 L N 2.213 123.471 121.223 0.059 0.000 2.367 354 L HA 0.241 4.581 4.340 0.000 0.000 0.275 354 L C 0.336 177.256 176.870 0.083 0.000 1.129 354 L CA 0.740 55.620 54.840 0.067 0.000 0.839 354 L CB 0.773 42.880 42.059 0.079 0.000 1.133 354 L HN 0.193 nan 8.230 nan 0.000 0.453 355 N N 3.106 121.847 118.700 0.069 0.000 2.420 355 N HA 0.142 4.882 4.740 0.000 0.000 0.262 355 N C 0.852 176.433 175.510 0.118 0.000 1.144 355 N CA 0.129 53.225 53.050 0.076 0.000 0.952 355 N CB 1.158 39.660 38.487 0.024 0.000 1.081 355 N HN 0.781 nan 8.380 nan 0.000 0.480 356 A N 3.724 126.635 122.820 0.152 0.000 2.119 356 A HA 0.041 4.361 4.320 0.000 0.000 0.217 356 A C 0.620 178.386 177.584 0.304 0.000 1.153 356 A CA 0.449 52.612 52.037 0.210 0.000 0.692 356 A CB 0.204 19.300 19.000 0.159 0.000 0.799 356 A HN 0.463 nan 8.150 nan 0.000 0.458 357 V N 1.009 121.043 119.914 0.200 0.000 2.406 357 V HA 0.361 4.481 4.120 0.000 0.000 0.272 357 V C -0.581 175.501 176.094 -0.021 0.000 1.043 357 V CA -0.185 62.206 62.300 0.151 0.000 0.915 357 V CB 1.248 33.061 31.823 -0.018 0.000 0.988 357 V HN 0.086 nan 8.190 nan 0.000 0.466 358 V N 4.459 124.286 119.914 -0.145 0.000 2.419 358 V HA 0.441 4.561 4.120 0.000 0.000 0.287 358 V C -0.554 175.368 176.094 -0.286 0.000 1.017 358 V CA -0.548 61.524 62.300 -0.381 0.000 0.844 358 V CB 1.644 33.016 31.823 -0.751 0.000 1.011 358 V HN 0.824 nan 8.190 nan 0.000 0.429 359 D N 3.314 123.621 120.400 -0.155 0.000 2.326 359 D HA 0.769 5.409 4.640 0.000 0.000 0.248 359 D C -0.860 175.463 176.300 0.038 0.000 1.001 359 D CA -0.269 53.742 54.000 0.018 0.000 0.961 359 D CB 2.244 43.003 40.800 -0.068 0.000 1.183 359 D HN 0.350 nan 8.370 nan 0.000 0.502 360 L N 1.026 122.329 121.223 0.133 0.000 2.388 360 L HA 0.331 4.671 4.340 0.000 0.000 0.264 360 L C 1.019 177.967 176.870 0.130 0.000 0.998 360 L CA -0.667 54.237 54.840 0.107 0.000 0.817 360 L CB 2.219 44.353 42.059 0.125 0.000 1.338 360 L HN 0.387 nan 8.230 nan 0.000 0.414 361 Q N -1.003 118.853 119.800 0.094 0.000 2.415 361 Q HA -0.046 4.294 4.340 0.000 0.000 0.206 361 Q C 0.177 176.247 176.000 0.116 0.000 0.946 361 Q CA 0.514 56.378 55.803 0.102 0.000 0.951 361 Q CB 0.212 28.985 28.738 0.059 0.000 1.026 361 Q HN 0.597 nan 8.270 nan 0.000 0.510 362 D N 0.835 121.309 120.400 0.123 0.000 2.354 362 D HA 0.038 4.678 4.640 0.000 0.000 0.209 362 D C -0.038 176.359 176.300 0.161 0.000 1.015 362 D CA 0.062 54.139 54.000 0.128 0.000 0.867 362 D CB 0.403 41.268 40.800 0.108 0.000 0.933 362 D HN 0.222 nan 8.370 nan 0.000 0.520 363 R N 0.312 120.923 120.500 0.185 0.000 2.573 363 R HA 0.301 4.641 4.340 0.000 0.000 0.272 363 R C -0.709 175.716 176.300 0.208 0.000 1.009 363 R CA -0.517 55.700 56.100 0.196 0.000 1.059 363 R CB 0.682 31.135 30.300 0.256 0.000 1.112 363 R HN -0.202 nan 8.270 nan 0.000 0.517 364 N N 1.251 120.044 118.700 0.154 0.000 2.746 364 N HA 0.127 4.867 4.740 0.000 0.000 0.250 364 N C -0.377 175.172 175.510 0.065 0.000 1.146 364 N CA -0.189 52.921 53.050 0.101 0.000 0.828 364 N CB 1.425 39.898 38.487 -0.024 0.000 1.158 364 N HN 0.572 nan 8.380 nan 0.000 0.519 365 T N 0.905 115.516 114.554 0.094 0.000 2.746 365 T HA -0.080 4.270 4.350 0.000 0.000 0.267 365 T C 1.354 176.005 174.700 -0.081 0.000 1.039 365 T CA 1.116 63.209 62.100 -0.011 0.000 1.142 365 T CB 0.208 68.985 68.868 -0.151 0.000 0.866 365 T HN 0.443 nan 8.240 nan 0.000 0.444 366 E N 0.871 121.040 120.200 -0.052 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 0.832 57.228 56.400 -0.008 0.000 0.799 366 E CB -0.484 29.252 29.700 0.061 0.000 0.748 366 E HN 0.301 nan 8.360 nan 0.000 0.449 367 L N 1.081 122.281 121.223 -0.038 0.000 2.093 367 L HA -0.095 4.245 4.340 0.000 0.000 0.208 367 L C 2.483 179.338 176.870 -0.024 0.000 1.085 367 L CA 1.666 56.467 54.840 -0.066 0.000 0.755 367 L CB -0.684 41.316 42.059 -0.098 0.000 0.904 367 L HN -0.019 nan 8.230 nan 0.000 0.435 368 S N -1.680 114.030 115.700 0.017 0.000 2.383 368 S HA -0.304 4.166 4.470 0.000 0.000 0.229 368 S C 2.110 176.742 174.600 0.054 0.000 1.030 368 S CA 1.602 59.841 58.200 0.065 0.000 1.002 368 S CB -0.597 62.638 63.200 0.059 0.000 0.829 368 S HN 0.650 nan 8.310 nan 0.000 0.467 369 Y N 1.397 121.645 120.300 -0.086 0.000 2.314 369 Y HA -0.013 4.537 4.550 0.000 0.000 0.293 369 Y C 2.571 178.402 175.900 -0.115 0.000 1.129 369 Y CA 1.512 59.544 58.100 -0.113 0.000 1.201 369 Y CB -0.144 38.242 38.460 -0.122 0.000 0.999 369 Y HN 0.266 nan 8.280 nan 0.000 0.541 370 Q N 0.250 120.039 119.800 -0.019 0.000 2.046 370 Q HA -0.164 4.176 4.340 0.000 0.000 0.200 370 Q C 2.342 178.262 176.000 -0.134 0.000 0.975 370 Q CA 1.678 57.438 55.803 -0.072 0.000 0.836 370 Q CB -0.511 28.157 28.738 -0.117 0.000 0.896 370 Q HN 0.541 nan 8.270 nan 0.000 0.428 371 L N 0.267 121.380 121.223 -0.184 0.000 2.141 371 L HA -0.152 4.188 4.340 0.000 0.000 0.209 371 L C 2.414 179.031 176.870 -0.421 0.000 1.094 371 L CA 0.365 55.115 54.840 -0.150 0.000 0.763 371 L CB -0.492 41.585 42.059 0.030 0.000 0.908 371 L HN 0.184 nan 8.230 nan 0.000 0.437 372 L N 0.178 120.994 121.223 -0.677 0.000 2.017 372 L HA -0.204 4.136 4.340 0.000 0.000 0.208 372 L C 2.354 178.866 176.870 -0.596 0.000 1.073 372 L CA 1.732 55.962 54.840 -1.017 0.000 0.745 372 L CB -0.393 41.251 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 -0.157 0.000 1.083 373 L CA 1.625 56.278 54.840 -0.311 0.000 0.752 373 L CB -0.757 41.133 42.059 -0.281 0.000 0.899 373 L HN 0.398 nan 8.230 nan 0.000 0.433 374 D N -0.374 119.977 120.400 -0.081 0.000 2.178 374 D HA -0.176 4.464 4.640 0.000 0.000 0.201 374 D C 2.234 178.520 176.300 -0.022 0.000 0.980 374 D CA 1.352 55.356 54.000 0.007 0.000 0.842 374 D CB 0.169 41.094 40.800 0.208 0.000 0.948 374 D HN 0.299 nan 8.370 nan 0.000 0.472 375 S N -0.290 115.353 115.700 -0.095 0.000 2.470 375 S HA -0.072 4.398 4.470 0.000 0.000 0.225 375 S C 1.940 176.518 174.600 -0.037 0.000 1.006 375 S CA 0.539 58.714 58.200 -0.042 0.000 0.934 375 S CB -0.623 62.545 63.200 -0.053 0.000 0.778 375 S HN 0.545 nan 8.310 nan 0.000 0.517 376 I N -2.028 118.489 120.570 -0.088 0.000 3.941 376 I HA 0.653 4.823 4.170 0.000 0.000 0.335 376 I C 0.615 176.709 176.117 -0.038 0.000 1.402 376 I CA -0.452 60.816 61.300 -0.055 0.000 1.112 376 I CB 0.175 38.128 38.000 -0.077 0.000 1.043 376 I HN 0.325 nan 8.210 nan 0.000 0.395 377 G N 0.525 109.305 108.800 -0.034 0.000 2.488 377 G HA2 0.124 4.084 3.960 0.000 0.000 0.301 377 G HA3 0.124 4.084 3.960 0.000 0.000 0.301 377 G C -2.060 172.828 174.900 -0.021 0.000 1.339 377 G CA -0.462 44.624 45.100 -0.023 0.000 0.803 377 G HN 0.023 nan 8.290 nan 0.000 0.482 378 D N -0.174 120.214 120.400 -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 -0.028 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 1.295 121.774 120.500 -0.036 0.000 2.377 379 R HA -0.072 4.268 4.340 0.000 0.000 0.207 379 R C 1.803 178.099 176.300 -0.007 0.000 1.075 379 R CA 1.159 57.247 56.100 -0.019 0.000 1.035 379 R CB -0.605 29.657 30.300 -0.064 0.000 0.857 379 R HN 0.447 nan 8.270 nan 0.000 0.475 380 T N -2.848 111.678 114.554 -0.046 0.000 3.081 380 T HA 0.176 4.526 4.350 0.000 0.000 0.255 380 T C 0.713 175.318 174.700 -0.158 0.000 1.113 380 T CA -0.129 61.925 62.100 -0.077 0.000 1.082 380 T CB 0.100 68.899 68.868 -0.115 0.000 0.939 380 T HN -0.063 nan 8.240 nan 0.000 0.506 381 R N 1.137 121.582 120.500 -0.092 0.000 2.410 381 R HA 0.394 4.734 4.340 0.000 0.000 0.288 381 R C -0.956 175.397 176.300 0.089 0.000 1.051 381 R CA -0.502 55.521 56.100 -0.128 0.000 1.021 381 R CB 0.523 30.780 30.300 -0.073 0.000 1.032 381 R HN 0.278 nan 8.270 nan 0.000 0.481 382 Y N 1.779 122.004 120.300 -0.126 0.000 2.352 382 Y HA 0.371 4.921 4.550 0.000 0.000 0.326 382 Y C -0.036 175.908 175.900 0.074 0.000 1.166 382 Y CA -1.385 56.630 58.100 -0.142 0.000 1.182 382 Y CB 0.928 39.054 38.460 -0.556 0.000 1.216 382 Y HN 0.461 nan 8.280 nan 0.000 0.474 383 F N 2.268 122.292 119.950 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 57.447 58.000 0.078 0.000 1.062 383 F CB 1.441 40.486 39.000 0.075 0.000 1.351 383 F HN 0.562 nan 8.300 nan 0.000 0.504 384 S N 4.928 120.768 115.700 0.233 0.000 2.400 384 S HA -0.261 4.209 4.470 0.000 0.000 0.232 384 S C 1.956 176.352 174.600 -0.340 0.000 1.025 384 S CA 1.351 59.560 58.200 0.014 0.000 0.993 384 S CB -0.266 62.990 63.200 0.093 0.000 0.808 384 S HN 0.907 nan 8.310 nan 0.000 0.478 385 M N -0.015 119.063 119.600 -0.869 0.000 2.082 385 M HA -0.072 4.408 4.480 0.000 0.000 0.258 385 M C 1.153 176.974 176.300 -0.798 0.000 1.069 385 M CA 1.858 56.501 55.300 -1.096 0.000 1.102 385 M CB -0.217 31.337 32.600 -1.743 0.000 1.336 385 M HN 0.553 nan 8.290 nan 0.000 0.404 386 W N -0.366 120.553 121.300 -0.635 0.000 3.316 386 W HA 0.224 4.884 4.660 0.000 0.000 0.327 386 W C 0.441 176.725 176.519 -0.392 0.000 1.232 386 W CA -0.667 56.529 57.345 -0.248 0.000 1.805 386 W CB -0.112 29.240 29.460 -0.180 0.000 1.090 386 W HN 0.361 nan 8.180 nan 0.000 0.654 387 N N 1.417 119.948 118.700 -0.282 0.000 2.754 387 N HA -0.259 4.481 4.740 0.000 0.000 0.248 387 N C -0.035 175.338 175.510 -0.229 0.000 1.093 387 N CA 0.692 53.475 53.050 -0.445 0.000 0.699 387 N CB -1.111 36.595 38.487 -1.302 0.000 1.016 387 N HN 0.335 nan 8.380 nan 0.000 0.552 388 Q N 0.268 120.042 119.800 -0.043 0.000 2.534 388 Q HA 0.496 4.836 4.340 0.000 0.000 0.223 388 Q C -0.863 175.141 176.000 0.006 0.000 1.239 388 Q CA 0.257 56.102 55.803 0.069 0.000 0.936 388 Q CB 0.084 28.980 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 51.199 52.037 -0.445 0.000 0.763 389 A CB 1.115 19.598 19.000 -0.862 0.000 1.270 389 A HN 0.511 nan 8.150 nan 0.000 0.417 390 V N 2.638 122.540 119.914 -0.021 0.000 2.788 390 V HA 0.049 4.169 4.120 0.000 0.000 0.307 390 V C 0.086 176.199 176.094 0.032 0.000 1.069 390 V CA 0.297 62.612 62.300 0.025 0.000 1.173 390 V CB 0.496 32.351 31.823 0.053 0.000 0.925 390 V HN 0.813 nan 8.190 nan 0.000 0.492 391 D N 4.375 124.795 120.400 0.033 0.000 2.389 391 D HA 0.391 5.031 4.640 0.000 0.000 0.247 391 D C 0.033 176.478 176.300 0.242 0.000 1.128 391 D CA 0.511 54.576 54.000 0.108 0.000 0.884 391 D CB 1.353 42.164 40.800 0.018 0.000 1.194 391 D HN 0.831 nan 8.370 nan 0.000 0.441 392 S N 1.027 116.920 115.700 0.322 0.000 2.688 392 S HA 0.724 5.194 4.470 0.000 0.000 0.275 392 S C -1.120 173.518 174.600 0.064 0.000 1.175 392 S CA -0.992 57.322 58.200 0.190 0.000 0.818 392 S CB 1.592 64.791 63.200 -0.001 0.000 1.157 392 S HN 0.546 nan 8.310 nan 0.000 0.482 393 Y N -1.089 119.132 120.300 -0.133 0.000 2.644 393 Y HA 0.745 5.295 4.550 0.000 0.000 0.338 393 Y C -1.082 174.684 175.900 -0.223 0.000 1.119 393 Y CA -1.216 56.709 58.100 -0.290 0.000 1.060 393 Y CB 0.653 38.784 38.460 -0.548 0.000 1.294 393 Y HN 0.617 nan 8.280 nan 0.000 0.472 394 D N 2.051 122.466 120.400 0.024 0.000 2.343 394 D HA 0.240 4.880 4.640 0.000 0.000 0.255 394 D C -1.908 174.465 176.300 0.123 0.000 1.187 394 D CA -2.292 51.719 54.000 0.019 0.000 0.875 394 D CB 1.735 42.511 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 0.878 64.052 63.100 0.123 0.000 0.837 395 P CB 0.326 32.057 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 54.787 54.000 0.144 0.000 0.889 396 D CB 0.021 40.919 40.800 0.162 0.000 0.912 396 D HN 0.095 nan 8.370 nan 0.000 0.524 397 V N 0.430 120.374 119.914 0.051 0.000 2.685 397 V HA -0.055 4.065 4.120 0.000 0.000 0.244 397 V C 2.377 178.337 176.094 -0.224 0.000 1.054 397 V CA 0.594 62.822 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 0.737 121.065 120.500 -0.287 0.000 2.075 398 R HA 0.069 4.409 4.340 0.000 0.000 0.232 398 R C 0.607 176.766 176.300 -0.235 0.000 1.126 398 R CA 1.527 57.377 56.100 -0.418 0.000 0.963 398 R CB -0.155 29.753 30.300 -0.654 0.000 0.858 398 R HN 0.455 nan 8.270 nan 0.000 0.435 399 I N 1.599 122.101 120.570 -0.114 0.000 2.411 399 I HA 0.270 4.440 4.170 0.000 0.000 0.284 399 I C -0.626 175.511 176.117 0.033 0.000 1.012 399 I CA -0.761 60.502 61.300 -0.063 0.000 1.119 399 I CB 1.950 39.917 38.000 -0.055 0.000 1.261 399 I HN -0.021 nan 8.210 nan 0.000 0.448 400 I N 5.881 126.493 120.570 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 0.313 61.715 61.300 0.170 0.000 1.402 400 I CB 0.389 38.501 38.000 0.186 0.000 1.399 400 I HN 0.616 nan 8.210 nan 0.000 0.535 401 E N 6.689 126.999 120.200 0.183 0.000 2.173 401 E HA 0.109 4.459 4.350 0.000 0.000 0.249 401 E C -0.673 175.950 176.600 0.039 0.000 0.923 401 E CA -0.505 55.964 56.400 0.116 0.000 0.754 401 E CB 0.590 30.345 29.700 0.090 0.000 1.177 401 E HN 0.430 nan 8.360 nan 0.000 0.430 402 N N 2.864 121.630 118.700 0.109 0.000 2.719 402 N HA -0.008 4.732 4.740 0.000 0.000 0.243 402 N C -0.163 175.303 175.510 -0.072 0.000 1.104 402 N CA -0.118 52.974 53.050 0.070 0.000 0.981 402 N CB 0.087 38.741 38.487 0.278 0.000 1.290 402 N HN 0.500 nan 8.380 nan 0.000 0.513 403 H N 1.231 120.213 119.070 -0.146 0.000 2.538 403 H HA 0.440 4.996 4.556 0.000 0.000 0.286 403 H C 1.258 176.472 175.328 -0.190 0.000 1.035 403 H CA -0.166 55.797 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 0.728 109.383 108.800 -0.242 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 -0.158 174.539 174.900 -0.339 0.000 1.286 404 G CA -0.015 44.969 45.100 -0.195 0.000 0.904 404 G HN 1.091 nan 8.290 nan 0.000 0.577 405 T N -2.517 111.946 114.554 -0.151 0.000 2.909 405 T HA 0.692 5.042 4.350 0.000 0.000 0.299 405 T C -0.576 174.087 174.700 -0.061 0.000 1.073 405 T CA -0.214 61.808 62.100 -0.129 0.000 0.999 405 T CB 2.321 71.154 68.868 -0.058 0.000 1.098 405 T HN 0.692 nan 8.240 nan 0.000 0.477 406 E N 2.269 122.434 120.200 -0.058 0.000 1.932 406 E HA 0.185 4.535 4.350 0.000 0.000 0.259 406 E C -0.327 176.248 176.600 -0.042 0.000 1.099 406 E CA -0.479 55.893 56.400 -0.047 0.000 0.970 406 E CB 0.120 29.789 29.700 -0.052 0.000 1.143 406 E HN 0.699 nan 8.360 nan 0.000 0.441 407 D N 1.375 121.752 120.400 -0.038 0.000 2.643 407 D HA 0.017 4.657 4.640 0.000 0.000 0.244 407 D C 0.596 176.867 176.300 -0.048 0.000 1.257 407 D CA -0.251 53.722 54.000 -0.044 0.000 0.831 407 D CB 0.371 41.148 40.800 -0.040 0.000 1.043 407 D HN 0.090 nan 8.370 nan 0.000 0.488 408 E N 0.323 120.499 120.200 -0.040 0.000 2.058 408 E HA -0.002 4.348 4.350 0.000 0.000 0.194 408 E C 0.576 177.152 176.600 -0.040 0.000 0.997 408 E CA 0.845 57.224 56.400 -0.035 0.000 0.801 408 E CB 0.071 29.755 29.700 -0.027 0.000 0.746 408 E HN 0.423 nan 8.360 nan 0.000 0.450 409 L N 2.493 123.689 121.223 -0.046 0.000 2.326 409 L HA 0.285 4.625 4.340 0.000 0.000 0.278 409 L C -1.968 174.835 176.870 -0.110 0.000 1.092 409 L CA -2.077 52.733 54.840 -0.051 0.000 0.810 409 L CB 0.591 42.630 42.059 -0.032 0.000 1.153 409 L HN 0.036 nan 8.230 nan 0.000 0.439 410 P HA 0.174 nan 4.420 nan 0.000 0.277 410 P C -1.475 175.498 177.300 -0.546 0.000 1.240 410 P CA -0.533 62.344 63.100 -0.372 0.000 0.798 410 P CB 0.839 32.291 31.700 -0.413 0.000 0.979 411 N N 1.166 119.493 118.700 -0.622 0.000 2.372 411 N HA 0.412 5.152 4.740 0.000 0.000 0.285 411 N C -0.997 174.137 175.510 -0.625 0.000 1.008 411 N CA -0.476 52.287 53.050 -0.477 0.000 0.880 411 N CB 1.063 39.408 38.487 -0.237 0.000 1.239 411 N HN 0.408 nan 8.380 nan 0.000 0.484 412 Y N -0.127 120.059 120.300 -0.191 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 -0.595 0.000 1.029 412 Y CA -1.243 56.583 58.100 -0.457 0.000 1.080 412 Y CB 1.182 39.211 38.460 -0.718 0.000 1.284 412 Y HN 0.481 nan 8.280 nan 0.000 0.485 413 C N -0.112 118.867 119.300 -0.536 0.000 2.507 413 C HA 0.897 5.357 4.460 0.000 0.000 0.319 413 C C -0.973 173.605 174.990 -0.686 0.000 1.208 413 C CA -1.137 57.633 59.018 -0.413 0.000 1.619 413 C CB -0.411 27.226 27.740 -0.173 0.000 2.230 413 C HN 0.631 nan 8.230 nan 0.000 0.492 414 F N 0.199 120.140 119.950 -0.014 0.000 2.639 414 F HA 0.755 5.282 4.527 0.000 0.000 0.339 414 F C -2.034 173.765 175.800 -0.001 0.000 1.071 414 F CA -2.323 55.658 58.000 -0.033 0.000 0.994 414 F CB 0.241 39.213 39.000 -0.047 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 0.724 178.035 177.300 0.019 0.000 1.215 415 P CA -0.084 63.105 63.100 0.148 0.000 0.780 415 P CB 0.624 32.419 31.700 0.158 0.000 0.898 416 L N 1.118 122.328 121.223 -0.022 0.000 2.083 416 L HA -0.125 4.215 4.340 0.000 0.000 0.209 416 L C 2.483 179.003 176.870 -0.583 0.000 1.083 416 L CA 1.914 56.660 54.840 -0.157 0.000 0.752 416 L CB -1.174 40.881 42.059 -0.008 0.000 0.899 416 L HN 0.599 nan 8.230 nan 0.000 0.433 417 G N -0.865 107.463 108.800 -0.786 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 1.302 175.727 174.900 -0.792 0.000 1.146 417 G CA 0.926 45.033 45.100 -1.655 0.000 0.769 417 G HN 0.580 nan 8.290 nan 0.000 0.547 418 G N -2.509 106.072 108.800 -0.364 0.000 2.192 418 G HA2 0.096 4.056 3.960 0.000 0.000 0.193 418 G HA3 0.096 4.056 3.960 0.000 0.000 0.193 418 G C 0.002 174.845 174.900 -0.095 0.000 0.999 418 G CA 0.344 45.318 45.100 -0.210 0.000 0.659 418 G HN 1.566 nan 8.290 nan 0.000 0.503 419 V N -0.524 119.362 119.914 -0.047 0.000 3.121 419 V HA 0.625 4.745 4.120 0.000 0.000 0.263 419 V C -0.296 175.860 176.094 0.104 0.000 1.795 419 V CA 0.164 62.496 62.300 0.053 0.000 0.979 419 V CB 1.761 33.610 31.823 0.044 0.000 1.335 419 V HN 0.650 nan 8.190 nan 0.000 0.462 420 I N 1.970 122.616 120.570 0.128 0.000 4.922 420 I HA 0.359 4.529 4.170 0.000 0.000 0.331 420 I C 0.298 176.457 176.117 0.070 0.000 1.260 420 I CA 0.054 61.428 61.300 0.124 0.000 1.366 420 I CB 0.760 38.831 38.000 0.118 0.000 1.386 420 I HN 0.677 nan 8.210 nan 0.000 0.483 421 N N 3.302 122.031 118.700 0.048 0.000 3.250 421 N HA 0.120 4.860 4.740 0.000 0.000 0.307 421 N C -0.164 175.366 175.510 0.034 0.000 1.355 421 N CA 0.208 53.268 53.050 0.017 0.000 1.192 421 N CB 0.003 38.488 38.487 -0.004 0.000 1.478 421 N HN 0.366 nan 8.380 nan 0.000 0.543 422 T N -1.650 112.931 114.554 0.045 0.000 2.899 422 T HA 0.305 4.655 4.350 0.000 0.000 0.295 422 T C 0.311 175.027 174.700 0.027 0.000 1.033 422 T CA -0.742 61.383 62.100 0.041 0.000 1.084 422 T CB 1.543 70.441 68.868 0.051 0.000 0.979 422 T HN 0.383 nan 8.240 nan 0.000 0.532 423 E N 0.835 121.049 120.200 0.024 0.000 2.212 423 E HA 0.414 4.764 4.350 0.000 0.000 0.268 423 E C -1.140 175.470 176.600 0.016 0.000 0.902 423 E CA -1.027 55.383 56.400 0.018 0.000 0.779 423 E CB 1.345 31.056 29.700 0.017 0.000 1.172 423 E HN 0.514 nan 8.360 nan 0.000 0.409 424 T N 3.969 118.530 114.554 0.012 0.000 2.779 424 T HA 0.294 4.644 4.350 0.000 0.000 0.296 424 T C 0.018 174.729 174.700 0.018 0.000 0.938 424 T CA -0.115 61.992 62.100 0.011 0.000 1.119 424 T CB -0.053 68.819 68.868 0.005 0.000 0.891 424 T HN 0.316 nan 8.240 nan 0.000 0.526 425 L N 2.258 123.496 121.223 0.025 0.000 2.283 425 L HA 0.648 4.988 4.340 0.000 0.000 0.259 425 L C 0.240 177.140 176.870 0.051 0.000 1.027 425 L CA -1.105 53.759 54.840 0.039 0.000 0.828 425 L CB 2.260 44.349 42.059 0.050 0.000 1.380 425 L HN 0.465 nan 8.230 nan 0.000 0.425 426 T N 0.465 115.061 114.554 0.069 0.000 2.829 426 T HA 0.275 4.625 4.350 0.000 0.000 0.280 426 T C -0.243 174.533 174.700 0.126 0.000 0.999 426 T CA -0.673 61.480 62.100 0.088 0.000 0.983 426 T CB 1.783 70.694 68.868 0.071 0.000 0.968 426 T HN 0.255 nan 8.240 nan 0.000 0.446 427 K N 2.172 122.673 120.400 0.168 0.000 2.469 427 K HA 0.321 4.641 4.320 0.000 0.000 0.274 427 K C -0.708 175.968 176.600 0.127 0.000 0.983 427 K CA 0.136 56.544 56.287 0.203 0.000 0.974 427 K CB 0.468 33.151 32.500 0.304 0.000 0.913 427 K HN 0.388 nan 8.250 nan 0.000 0.493 428 V N 3.594 123.573 119.914 0.109 0.000 2.971 428 V HA 0.414 4.534 4.120 0.000 0.000 0.309 428 V C -0.689 175.412 176.094 0.012 0.000 1.130 428 V CA -0.911 61.459 62.300 0.117 0.000 0.964 428 V CB 2.476 34.463 31.823 0.273 0.000 1.029 428 V HN 0.701 nan 8.190 nan 0.000 0.427 429 K N 4.013 124.408 120.400 -0.008 0.000 2.426 429 K HA 0.614 4.934 4.320 0.000 0.000 0.251 429 K C -2.784 173.721 176.600 -0.159 0.000 0.941 429 K CA -1.707 54.508 56.287 -0.119 0.000 0.808 429 K CB 2.921 35.361 32.500 -0.100 0.000 1.265 429 K HN 0.386 nan 8.250 nan 0.000 0.432 430 P HA 0.157 nan 4.420 nan 0.000 0.282 430 P C -1.291 175.929 177.300 -0.134 0.000 1.287 430 P CA -0.390 62.506 63.100 -0.340 0.000 0.792 430 P CB 0.433 31.870 31.700 -0.438 0.000 1.163 431 K N -1.616 118.738 120.400 -0.076 0.000 6.365 431 K HA -0.107 4.213 4.320 0.000 0.000 0.786 431 K C 0.131 176.737 176.600 0.011 0.000 2.401 431 K CA 0.628 56.899 56.287 -0.026 0.000 1.752 431 K CB -2.055 30.418 32.500 -0.045 0.000 2.498 431 K HN 0.837 nan 8.250 nan 0.000 0.213 432 T N -0.318 114.254 114.554 0.031 0.000 6.178 432 T HA -0.106 4.244 4.350 0.000 0.000 0.277 432 T C 0.876 175.612 174.700 0.059 0.000 2.183 432 T CA 1.280 63.403 62.100 0.038 0.000 3.733 432 T CB -1.229 67.661 68.868 0.036 0.000 0.719 432 T HN 0.970 nan 8.240 nan 0.000 0.455 433 G N 2.273 111.132 108.800 0.098 0.000 3.448 433 G HA2 0.420 4.380 3.960 0.000 0.000 0.261 433 G HA3 0.420 4.380 3.960 0.000 0.000 0.261 433 G C 0.251 175.217 174.900 0.110 0.000 1.173 433 G CA -0.127 45.039 45.100 0.110 0.000 0.835 433 G HN 0.675 nan 8.290 nan 0.000 0.534 434 Q N 0.415 120.268 119.800 0.088 0.000 2.454 434 Q HA 0.236 4.576 4.340 0.000 0.000 0.247 434 Q C -0.505 175.527 176.000 0.052 0.000 1.028 434 Q CA -0.137 55.712 55.803 0.076 0.000 0.910 434 Q CB 1.148 29.918 28.738 0.053 0.000 1.276 434 Q HN 0.271 nan 8.270 nan 0.000 0.489 435 E N 1.910 122.138 120.200 0.046 0.000 2.417 435 E HA -0.061 4.289 4.350 0.000 0.000 0.261 435 E C -0.639 176.015 176.600 0.089 0.000 1.000 435 E CA -0.161 56.273 56.400 0.057 0.000 0.919 435 E CB 0.130 29.855 29.700 0.042 0.000 0.955 435 E HN 0.469 nan 8.360 nan 0.000 0.455 436 N N 1.506 120.283 118.700 0.128 0.000 2.681 436 N HA -0.139 4.601 4.740 0.000 0.000 0.259 436 N C -0.588 175.117 175.510 0.325 0.000 1.066 436 N CA 1.114 54.307 53.050 0.238 0.000 0.717 436 N CB -1.310 37.300 38.487 0.204 0.000 0.885 436 N HN 0.645 nan 8.380 nan 0.000 0.547 437 G N -0.847 108.156 108.800 0.339 0.000 2.416 437 G HA2 0.650 4.610 3.960 0.000 0.000 0.329 437 G HA3 0.650 4.610 3.960 0.000 0.000 0.329 437 G C -0.831 174.443 174.900 0.622 0.000 1.173 437 G CA -0.656 44.666 45.100 0.370 0.000 0.929 437 G HN 0.180 nan 8.290 nan 0.000 0.475 438 W N 0.390 121.688 121.300 -0.003 0.000 2.736 438 W HA 0.668 5.328 4.660 0.000 0.000 0.335 438 W C 0.091 176.607 176.519 -0.004 0.000 1.059 438 W CA -1.289 56.053 57.345 -0.004 0.000 1.226 438 W CB 1.357 30.816 29.460 -0.001 0.000 1.416 438 W HN 0.472 nan 8.180 nan 0.000 0.505 439 E N 0.812 121.134 120.200 0.203 0.000 2.359 439 E HA 0.389 4.739 4.350 0.000 0.000 0.266 439 E C -0.628 176.027 176.600 0.091 0.000 0.920 439 E CA -1.207 55.262 56.400 0.115 0.000 0.788 439 E CB 2.461 32.201 29.700 0.066 0.000 1.279 439 E HN 0.170 nan 8.360 nan 0.000 0.438 440 K N 1.084 121.524 120.400 0.067 0.000 2.319 440 K HA 0.041 4.361 4.320 0.000 0.000 0.265 440 K C -0.371 176.246 176.600 0.028 0.000 1.000 440 K CA -0.016 56.304 56.287 0.055 0.000 0.943 440 K CB 0.364 32.892 32.500 0.046 0.000 0.950 440 K HN 0.353 nan 8.250 nan 0.000 0.485 441 D N 0.645 121.057 120.400 0.020 0.000 2.210 441 D HA 0.179 4.819 4.640 0.000 0.000 0.249 441 D C 0.183 176.481 176.300 -0.004 0.000 1.078 441 D CA -0.128 53.860 54.000 -0.021 0.000 0.875 441 D CB 1.768 42.526 40.800 -0.071 0.000 1.175 441 D HN 0.540 nan 8.370 nan 0.000 0.440 442 A N 2.344 125.152 122.820 -0.020 0.000 1.984 442 A HA -0.034 4.286 4.320 0.000 0.000 0.214 442 A C 1.463 179.046 177.584 -0.001 0.000 1.173 442 A CA 0.894 52.929 52.037 -0.004 0.000 0.673 442 A CB -0.317 18.678 19.000 -0.008 0.000 0.830 442 A HN 0.611 nan 8.150 nan 0.000 0.453 443 T N 0.027 114.561 114.554 -0.033 0.000 3.500 443 T HA 0.231 4.581 4.350 0.000 0.000 0.244 443 T C 0.064 174.781 174.700 0.029 0.000 0.962 443 T CA -0.273 61.813 62.100 -0.024 0.000 0.932 443 T CB -0.828 67.994 68.868 -0.076 0.000 1.096 443 T HN 0.505 nan 8.240 nan 0.000 0.617 444 E N 0.591 120.849 120.200 0.097 0.000 2.458 444 E HA 0.141 4.491 4.350 0.000 0.000 0.264 444 E C -0.543 176.246 176.600 0.316 0.000 1.097 444 E CA -0.056 56.501 56.400 0.262 0.000 0.973 444 E CB 0.037 29.839 29.700 0.169 0.000 0.963 444 E HN 0.419 nan 8.360 nan 0.000 0.451 445 F N 0.183 120.132 119.950 -0.001 0.000 2.744 445 F HA -0.226 4.301 4.527 0.000 0.000 0.377 445 F C 0.511 176.313 175.800 0.002 0.000 1.069 445 F CA 0.561 58.562 58.000 0.001 0.000 1.211 445 F CB -2.048 36.954 39.000 0.004 0.000 1.606 445 F HN 0.380 nan 8.300 nan 0.000 0.781 446 S N 0.395 116.130 115.700 0.058 0.000 2.599 446 S HA -0.007 4.463 4.470 0.000 0.000 0.303 446 S C 1.353 175.982 174.600 0.048 0.000 1.267 446 S CA 0.025 58.247 58.200 0.036 0.000 1.055 446 S CB 0.775 63.968 63.200 -0.011 0.000 0.790 446 S HN 0.547 nan 8.310 nan 0.000 0.500 447 D N 1.594 122.024 120.400 0.050 0.000 2.403 447 D HA -0.116 4.524 4.640 0.000 0.000 0.227 447 D C -0.041 176.277 176.300 0.031 0.000 0.995 447 D CA 0.739 54.770 54.000 0.051 0.000 0.928 447 D CB -0.214 40.611 40.800 0.042 0.000 0.887 447 D HN 0.672 nan 8.370 nan 0.000 0.529 448 K N 0.769 121.175 120.400 0.011 0.000 2.530 448 K HA 0.293 4.613 4.320 0.000 0.000 0.230 448 K C -0.886 175.699 176.600 -0.024 0.000 1.002 448 K CA -0.642 55.642 56.287 -0.005 0.000 1.014 448 K CB 0.947 33.440 32.500 -0.013 0.000 1.286 448 K HN -0.104 nan 8.250 nan 0.000 0.480 449 N N 2.031 120.720 118.700 -0.018 0.000 2.314 449 N HA 0.206 4.946 4.740 0.000 0.000 0.294 449 N C -1.030 174.468 175.510 -0.019 0.000 1.029 449 N CA -0.733 52.294 53.050 -0.039 0.000 0.845 449 N CB 1.852 40.309 38.487 -0.050 0.000 1.321 449 N HN 0.315 nan 8.380 nan 0.000 0.481 450 E N 1.434 121.620 120.200 -0.023 0.000 2.105 450 E HA 0.421 4.771 4.350 0.000 0.000 0.285 450 E C -0.360 176.247 176.600 0.012 0.000 1.055 450 E CA 0.043 56.443 56.400 0.000 0.000 0.843 450 E CB 0.676 30.380 29.700 0.007 0.000 1.067 450 E HN 0.405 nan 8.360 nan 0.000 0.398 451 I N 2.699 123.281 120.570 0.020 0.000 2.498 451 I HA 0.384 4.554 4.170 0.000 0.000 0.290 451 I C -0.280 175.856 176.117 0.031 0.000 1.032 451 I CA -1.274 60.041 61.300 0.025 0.000 1.073 451 I CB 1.810 39.826 38.000 0.027 0.000 1.251 451 I HN 0.209 nan 8.210 nan 0.000 0.426 452 R N 5.583 126.103 120.500 0.034 0.000 2.297 452 R HA 0.539 4.879 4.340 0.000 0.000 0.308 452 R C -1.616 174.703 176.300 0.033 0.000 1.029 452 R CA -0.285 55.837 56.100 0.037 0.000 0.929 452 R CB 1.138 31.464 30.300 0.043 0.000 1.046 452 R HN 0.407 nan 8.270 nan 0.000 0.461 453 V N 5.529 125.463 119.914 0.033 0.000 2.347 453 V HA 0.792 4.912 4.120 0.000 0.000 0.280 453 V C 0.732 176.845 176.094 0.031 0.000 1.021 453 V CA 0.488 62.806 62.300 0.030 0.000 0.847 453 V CB 0.418 32.258 31.823 0.029 0.000 0.990 453 V HN 1.066 nan 8.190 nan 0.000 0.444 454 G N 5.100 113.916 108.800 0.027 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 -0.701 174.214 174.900 0.025 0.000 1.278 454 G CA -0.821 44.295 45.100 0.027 0.000 0.965 454 G HN 0.581 nan 8.290 nan 0.000 0.504 455 N N 0.959 119.674 118.700 0.025 0.000 2.424 455 N HA 0.328 5.068 4.740 0.000 0.000 0.257 455 N C 0.837 176.377 175.510 0.049 0.000 1.250 455 N CA 0.323 53.384 53.050 0.018 0.000 0.946 455 N CB 0.293 38.781 38.487 0.001 0.000 1.175 455 N HN 0.908 nan 8.380 nan 0.000 0.477 456 N N -0.432 118.298 118.700 0.050 0.000 2.317 456 N HA 0.065 4.805 4.740 0.000 0.000 0.245 456 N C -0.603 175.018 175.510 0.185 0.000 1.294 456 N CA -0.284 52.834 53.050 0.113 0.000 0.924 456 N CB 0.145 38.687 38.487 0.092 0.000 1.186 456 N HN 0.403 nan 8.380 nan 0.000 0.495 457 F N -0.331 119.665 119.950 0.077 0.000 2.438 457 F HA 0.568 5.095 4.527 0.000 0.000 0.356 457 F C -0.209 175.634 175.800 0.070 0.000 1.099 457 F CA -0.877 57.158 58.000 0.060 0.000 1.185 457 F CB -0.104 38.928 39.000 0.054 0.000 1.115 457 F HN 0.720 nan 8.300 nan 0.000 0.526 458 A N 7.529 129.943 122.820 -0.677 0.000 2.475 458 A HA 0.827 5.147 4.320 0.000 0.000 0.301 458 A C -1.237 175.917 177.584 -0.718 0.000 1.059 458 A CA -0.885 50.752 52.037 -0.667 0.000 0.710 458 A CB 1.532 20.224 19.000 -0.512 0.000 1.288 458 A HN 0.661 nan 8.150 nan 0.000 0.408 459 M N 1.342 120.630 119.600 -0.520 0.000 2.465 459 M HA 0.470 4.950 4.480 0.000 0.000 0.316 459 M C -0.383 175.838 176.300 -0.131 0.000 1.121 459 M CA -0.215 54.906 55.300 -0.297 0.000 0.934 459 M CB 1.662 34.119 32.600 -0.239 0.000 1.692 459 M HN 0.950 nan 8.290 nan 0.000 0.444 460 E N 2.286 122.447 120.200 -0.064 0.000 2.207 460 E HA 0.782 5.132 4.350 0.000 0.000 0.270 460 E C -1.770 174.741 176.600 -0.149 0.000 0.927 460 E CA -0.634 55.703 56.400 -0.105 0.000 0.799 460 E CB 2.570 32.224 29.700 -0.076 0.000 1.172 460 E HN 0.728 nan 8.360 nan 0.000 0.404 461 I N 3.059 123.511 120.570 -0.197 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 -0.160 0.000 1.267 461 I CA -0.807 60.403 61.300 -0.151 0.000 1.036 461 I CB 2.004 39.942 38.000 -0.104 0.000 1.281 461 I HN 0.483 nan 8.210 nan 0.000 0.423 462 N N 7.486 126.109 118.700 -0.128 0.000 2.602 462 N HA 0.230 4.970 4.740 0.000 0.000 0.238 462 N C 0.690 176.168 175.510 -0.054 0.000 1.084 462 N CA -0.023 52.966 53.050 -0.102 0.000 0.952 462 N CB 0.775 39.210 38.487 -0.087 0.000 1.244 462 N HN 0.787 nan 8.380 nan 0.000 0.512 463 L N 3.345 124.535 121.223 -0.056 0.000 1.956 463 L HA -0.248 4.092 4.340 0.000 0.000 0.216 463 L C 1.734 178.612 176.870 0.014 0.000 1.073 463 L CA 1.568 56.396 54.840 -0.021 0.000 0.762 463 L CB -0.253 41.791 42.059 -0.027 0.000 0.889 463 L HN 0.603 nan 8.230 nan 0.000 0.433 464 N N -0.862 117.842 118.700 0.007 0.000 2.149 464 N HA -0.208 4.532 4.740 0.000 0.000 0.188 464 N C 1.758 177.322 175.510 0.090 0.000 1.019 464 N CA 1.078 54.147 53.050 0.031 0.000 0.857 464 N CB -0.148 38.336 38.487 -0.005 0.000 0.997 464 N HN 0.402 nan 8.380 nan 0.000 0.426 465 A N 1.246 124.115 122.820 0.080 0.000 1.930 465 A HA -0.121 4.199 4.320 0.000 0.000 0.217 465 A C 1.985 179.665 177.584 0.160 0.000 1.175 465 A CA 1.115 53.239 52.037 0.144 0.000 0.627 465 A CB -0.372 18.681 19.000 0.088 0.000 0.815 465 A HN 0.264 nan 8.150 nan 0.000 0.443 466 N N 0.083 118.839 118.700 0.095 0.000 2.058 466 N HA -0.103 4.637 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 1.422 54.520 53.050 0.079 0.000 0.848 466 N CB -0.374 38.138 38.487 0.041 0.000 1.021 466 N HN 0.464 nan 8.380 nan 0.000 0.422 467 L N 0.123 121.432 121.223 0.142 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 0.300 0.000 1.076 467 L CA 1.188 56.137 54.840 0.182 0.000 0.749 467 L CB -0.348 41.797 42.059 0.144 0.000 0.893 467 L HN 0.448 nan 8.230 nan 0.000 0.432 468 W N 0.950 122.287 121.300 0.062 0.000 2.355 468 W HA -0.279 4.381 4.660 0.000 0.000 0.309 468 W C 2.730 179.342 176.519 0.154 0.000 1.206 468 W CA 1.207 58.600 57.345 0.080 0.000 1.284 468 W CB -0.077 29.397 29.460 0.023 0.000 1.145 468 W HN 0.095 nan 8.180 nan 0.000 0.502 469 R N 0.631 121.178 120.500 0.078 0.000 2.083 469 R HA -0.193 4.147 4.340 0.000 0.000 0.237 469 R C 2.099 178.389 176.300 -0.016 0.000 1.137 469 R CA 2.027 58.075 56.100 -0.087 0.000 0.951 469 R CB -0.778 29.511 30.300 -0.019 0.000 0.851 469 R HN 0.240 nan 8.270 nan 0.000 0.434 470 N N -0.381 118.366 118.700 0.079 0.000 2.149 470 N HA -0.209 4.531 4.740 0.000 0.000 0.188 470 N C 1.656 177.255 175.510 0.148 0.000 1.019 470 N CA 1.364 54.483 53.050 0.115 0.000 0.857 470 N CB -0.171 38.392 38.487 0.128 0.000 0.997 470 N HN 0.170 nan 8.380 nan 0.000 0.426 471 F N 2.083 122.052 119.950 0.031 0.000 2.113 471 F HA -0.061 4.466 4.527 0.000 0.000 0.297 471 F C 2.116 177.873 175.800 -0.072 0.000 1.103 471 F CA 0.996 59.015 58.000 0.032 0.000 1.248 471 F CB -0.357 38.700 39.000 0.095 0.000 0.999 471 F HN -0.089 nan 8.300 nan 0.000 0.475 472 L N -1.058 120.012 121.223 -0.254 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 56.387 54.840 -0.382 0.000 0.747 472 L CB -1.011 40.761 42.059 -0.478 0.000 0.896 472 L HN 0.250 nan 8.230 nan 0.000 0.432 473 Y N -0.266 119.909 120.300 -0.208 0.000 2.200 473 Y HA -0.271 4.279 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 1.752 59.767 58.100 -0.140 0.000 1.163 473 Y CB -0.004 38.389 38.460 -0.112 0.000 0.988 473 Y HN 0.113 nan 8.280 nan 0.000 0.518 474 S N -0.021 115.644 115.700 -0.057 0.000 2.368 474 S HA -0.166 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 -0.053 0.000 0.988 474 S CB -0.367 62.868 63.200 0.058 0.000 0.838 474 S HN 0.611 nan 8.310 nan 0.000 0.462 475 N N 0.088 118.735 118.700 -0.088 0.000 2.409 475 N HA 0.244 4.984 4.740 0.000 0.000 0.174 475 N C 1.514 177.054 175.510 0.051 0.000 1.037 475 N CA 0.880 53.938 53.050 0.014 0.000 0.898 475 N CB 0.223 38.464 38.487 -0.411 0.000 1.010 475 N HN 0.462 nan 8.380 nan 0.000 0.445 476 I N 0.298 120.807 120.570 -0.101 0.000 3.345 476 I HA 0.119 4.289 4.170 0.000 0.000 0.258 476 I C 2.265 178.350 176.117 -0.053 0.000 1.134 476 I CA 0.179 61.444 61.300 -0.058 0.000 1.457 476 I CB -0.314 37.614 38.000 -0.121 0.000 1.425 476 I HN -0.136 nan 8.210 nan 0.000 0.461 477 A N 1.763 124.481 122.820 -0.170 0.000 1.859 477 A HA -0.236 4.084 4.320 0.000 0.000 0.218 477 A C 2.234 179.621 177.584 -0.327 0.000 1.209 477 A CA 1.881 53.770 52.037 -0.248 0.000 0.639 477 A CB -1.258 17.530 19.000 -0.353 0.000 0.835 477 A HN 0.396 nan 8.150 nan 0.000 0.450 478 L N -2.305 118.617 121.223 -0.501 0.000 2.353 478 L HA -0.184 4.156 4.340 0.000 0.000 0.220 478 L C 1.911 178.498 176.870 -0.472 0.000 1.133 478 L CA 0.990 55.512 54.840 -0.529 0.000 0.798 478 L CB -0.358 41.322 42.059 -0.633 0.000 0.922 478 L HN 0.544 nan 8.230 nan 0.000 0.445 479 Y N -0.973 119.195 120.300 -0.219 0.000 2.457 479 Y HA 0.174 4.724 4.550 0.000 0.000 0.263 479 Y C 1.063 176.899 175.900 -0.107 0.000 1.164 479 Y CA -0.590 57.426 58.100 -0.140 0.000 1.274 479 Y CB 0.079 38.490 38.460 -0.082 0.000 1.097 479 Y HN 0.012 nan 8.280 nan 0.000 0.523 480 L N 1.688 122.891 121.223 -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 53.059 54.840 -0.054 0.000 0.827 480 L CB 0.141 42.129 42.059 -0.118 0.000 1.099 480 L HN -0.076 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 2.442 122.823 120.400 -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 1.324 55.312 54.000 -0.021 0.000 0.857 482 D CB -0.027 40.813 40.800 0.067 0.000 0.934 482 D HN 0.427 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 1.732 178.297 176.600 -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 -0.015 0.000 0.739 483 K HN 0.247 nan 8.250 nan 0.000 0.457 484 L N 0.634 121.787 121.223 -0.117 0.000 2.592 484 L HA 0.138 4.478 4.340 0.000 0.000 0.227 484 L C 0.703 177.530 176.870 -0.071 0.000 1.127 484 L CA 0.026 54.780 54.840 -0.142 0.000 0.884 484 L CB 0.037 41.925 42.059 -0.284 0.000 1.065 484 L HN 0.118 nan 8.230 nan 0.000 0.457 485 K N -0.055 120.304 120.400 -0.068 0.000 2.240 485 K HA 0.513 4.833 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 33.796 32.500 -0.195 0.000 1.171 485 K HN -0.125 nan 8.250 nan 0.000 0.479 486 Y N -3.094 117.133 120.300 -0.122 0.000 2.552 486 Y HA 0.400 4.950 4.550 0.000 0.000 0.337 486 Y C -0.904 174.924 175.900 -0.121 0.000 1.094 486 Y CA -1.188 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 0.321 nan 8.280 nan 0.000 0.456 487 S N 4.719 120.441 115.700 0.036 0.000 2.564 487 S HA 0.311 4.781 4.470 0.000 0.000 0.278 487 S C -2.356 172.259 174.600 0.026 0.000 1.333 487 S CA -0.835 57.332 58.200 -0.056 0.000 1.048 487 S CB 0.278 63.472 63.200 -0.009 0.000 0.900 487 S HN 0.567 nan 8.310 nan 0.000 0.505 488 P HA 0.184 nan 4.420 nan 0.000 0.278 488 P C -0.765 176.554 177.300 0.031 0.000 1.238 488 P CA -0.538 62.561 63.100 -0.002 0.000 0.794 488 P CB 0.732 32.398 31.700 -0.056 0.000 0.955 489 S N 1.364 117.097 115.700 0.056 0.000 2.562 489 S HA 0.240 4.710 4.470 0.000 0.000 0.275 489 S C 0.588 175.173 174.600 -0.025 0.000 1.281 489 S CA -0.566 57.647 58.200 0.022 0.000 1.045 489 S CB -0.049 63.171 63.200 0.034 0.000 0.962 489 S HN 0.552 nan 8.310 nan 0.000 0.503 490 N N -1.108 117.572 118.700 -0.033 0.000 2.800 490 N HA -0.130 4.610 4.740 0.000 0.000 0.250 490 N C -0.948 174.530 175.510 -0.053 0.000 1.078 490 N CA 0.959 53.975 53.050 -0.055 0.000 0.804 490 N CB -1.642 36.786 38.487 -0.098 0.000 1.135 490 N HN 0.552 nan 8.380 nan 0.000 0.565 491 V N 0.647 120.540 119.914 -0.036 0.000 2.656 491 V HA 0.264 4.384 4.120 0.000 0.000 0.307 491 V C 0.447 176.528 176.094 -0.022 0.000 1.051 491 V CA -0.965 61.317 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 4.324 124.715 120.400 -0.016 0.000 2.379 492 K HA 0.537 4.857 4.320 0.000 0.000 0.284 492 K C -0.675 175.916 176.600 -0.014 0.000 1.044 492 K CA 0.061 56.343 56.287 -0.009 0.000 0.974 492 K CB 1.167 33.665 32.500 -0.003 0.000 0.962 492 K HN 0.574 nan 8.250 nan 0.000 0.474 493 I N 1.191 121.758 120.570 -0.005 0.000 2.582 493 I HA 0.114 4.284 4.170 0.000 0.000 0.292 493 I C -0.167 175.980 176.117 0.050 0.000 1.066 493 I CA -0.504 60.794 61.300 -0.004 0.000 1.053 493 I CB 2.062 40.038 38.000 -0.040 0.000 1.241 493 I HN 0.622 nan 8.210 nan 0.000 0.421 494 S N 3.805 119.548 115.700 0.072 0.000 2.566 494 S HA -0.004 4.466 4.470 0.000 0.000 0.280 494 S C 0.534 175.204 174.600 0.116 0.000 1.343 494 S CA 0.461 58.712 58.200 0.085 0.000 1.036 494 S CB 0.658 63.905 63.200 0.079 0.000 0.866 494 S HN 0.750 nan 8.310 nan 0.000 0.526 495 D N 1.113 121.534 120.400 0.035 0.000 2.305 495 D HA 0.107 4.747 4.640 0.000 0.000 0.206 495 D C 0.120 176.347 176.300 -0.121 0.000 0.974 495 D CA 0.386 54.378 54.000 -0.013 0.000 0.871 495 D CB 0.014 40.807 40.800 -0.013 0.000 0.947 495 D HN 0.415 nan 8.370 nan 0.000 0.516 496 N N 1.037 119.664 118.700 -0.121 0.000 2.406 496 N HA 0.060 4.800 4.740 0.000 0.000 0.251 496 N C -1.879 173.401 175.510 -0.384 0.000 1.069 496 N CA -1.789 51.149 53.050 -0.187 0.000 0.947 496 N CB 1.424 39.859 38.487 -0.087 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 -0.069 177.046 177.300 -0.309 0.000 1.178 497 P CA 0.663 63.208 63.100 -0.925 0.000 0.766 497 P CB 0.494 31.745 31.700 -0.748 0.000 0.876 498 N N -0.649 117.950 118.700 -0.168 0.000 2.336 498 N HA 0.037 4.777 4.740 0.000 0.000 0.189 498 N C 0.463 175.967 175.510 -0.011 0.000 1.113 498 N CA 0.424 53.442 53.050 -0.053 0.000 0.858 498 N CB -0.034 38.428 38.487 -0.042 0.000 0.970 498 N HN 0.098 nan 8.380 nan 0.000 0.471 499 T N -0.015 114.534 114.554 -0.007 0.000 2.913 499 T HA 0.064 4.414 4.350 0.000 0.000 0.287 499 T C 1.057 175.811 174.700 0.091 0.000 1.008 499 T CA -0.383 61.747 62.100 0.051 0.000 1.067 499 T CB 1.352 70.249 68.868 0.048 0.000 0.996 499 T HN 0.165 nan 8.240 nan 0.000 0.513 500 Y N 2.016 122.300 120.300 -0.027 0.000 2.220 500 Y HA -0.108 4.442 4.550 0.000 0.000 0.291 500 Y C 2.235 178.089 175.900 -0.077 0.000 1.129 500 Y CA 1.967 60.029 58.100 -0.063 0.000 1.161 500 Y CB -0.156 38.253 38.460 -0.086 0.000 0.997 500 Y HN 0.826 nan 8.280 nan 0.000 0.522 501 D N -0.868 119.528 120.400 -0.006 0.000 2.133 501 D HA -0.318 4.322 4.640 0.000 0.000 0.195 501 D C 2.033 178.225 176.300 -0.179 0.000 0.997 501 D CA 1.851 55.783 54.000 -0.115 0.000 0.840 501 D CB -0.542 40.264 40.800 0.009 0.000 0.947 501 D HN 0.537 nan 8.370 nan 0.000 0.452 502 Y N 0.340 120.525 120.300 -0.192 0.000 2.163 502 Y HA -0.112 4.438 4.550 0.000 0.000 0.288 502 Y C 2.132 177.881 175.900 -0.253 0.000 1.136 502 Y CA 1.620 59.610 58.100 -0.183 0.000 1.147 502 Y CB -0.144 38.246 38.460 -0.118 0.000 0.987 502 Y HN -0.002 nan 8.280 nan 0.000 0.509 503 M N -0.215 119.292 119.600 -0.155 0.000 2.460 503 M HA -0.132 4.348 4.480 0.000 0.000 0.263 503 M C 1.524 177.525 176.300 -0.499 0.000 1.071 503 M CA 1.563 56.688 55.300 -0.291 0.000 1.096 503 M CB -0.327 32.150 32.600 -0.205 0.000 1.408 503 M HN 0.277 nan 8.290 nan 0.000 0.463 504 N N 0.742 119.052 118.700 -0.649 0.000 2.409 504 N HA -0.019 4.721 4.740 0.000 0.000 0.174 504 N C 1.278 176.394 175.510 -0.656 0.000 1.037 504 N CA 0.910 53.508 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 0.208 nan 8.380 nan 0.000 0.445 505 K N -0.591 119.485 120.400 -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 -0.372 0.000 1.052 505 K CA -0.240 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 1.960 122.159 120.500 -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 55.919 56.100 -0.519 0.000 1.056 506 R CB 0.599 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 3.913 123.505 119.914 -0.537 0.000 2.539 507 V HA 0.454 4.574 4.120 0.000 0.000 0.292 507 V C -0.519 175.231 176.094 -0.573 0.000 1.045 507 V CA -0.623 61.346 62.300 -0.551 0.000 0.945 507 V CB 1.895 33.320 31.823 -0.663 0.000 0.993 507 V HN 0.449 nan 8.190 nan 0.000 0.464 508 V N 6.823 126.573 119.914 -0.273 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 0.049 0.000 1.043 508 V CA -0.075 62.147 62.300 -0.130 0.000 0.888 508 V CB 1.670 33.401 31.823 -0.152 0.000 0.995 508 V HN 1.492 nan 8.190 nan 0.000 0.429 509 A N 7.245 130.111 122.820 0.077 0.000 2.454 509 A HA 0.552 4.872 4.320 0.000 0.000 0.260 509 A C -1.661 175.985 177.584 0.103 0.000 1.106 509 A CA -0.965 51.119 52.037 0.078 0.000 0.780 509 A CB 0.263 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 -0.121 nan 4.420 nan 0.000 0.218 510 P C 1.590 178.913 177.300 0.038 0.000 1.148 510 P CA 1.703 64.855 63.100 0.086 0.000 0.822 510 P CB 0.203 31.830 31.700 -0.122 0.000 0.784 511 G N -0.755 108.065 108.800 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 0.065 0.000 1.128 511 G CA 0.254 45.390 45.100 0.060 0.000 0.774 511 G HN 0.263 nan 8.290 nan 0.000 0.543 512 L N -0.363 120.890 121.223 0.050 0.000 2.240 512 L HA 0.111 4.451 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 0.402 55.284 54.840 0.070 0.000 0.793 512 L CB 0.339 42.421 42.059 0.039 0.000 0.927 512 L HN 0.026 nan 8.230 nan 0.000 0.446 513 V N -0.888 119.030 119.914 0.007 0.000 2.502 513 V HA 0.225 4.345 4.120 0.000 0.000 0.261 513 V C -0.506 175.493 176.094 -0.158 0.000 0.996 513 V CA -0.606 61.667 62.300 -0.045 0.000 1.095 513 V CB 0.801 32.594 31.823 -0.049 0.000 1.325 513 V HN 0.068 nan 8.190 nan 0.000 0.574 514 D N 0.583 120.814 120.400 -0.281 0.000 2.387 514 D HA 0.155 4.795 4.640 0.000 0.000 0.251 514 D C 1.437 177.426 176.300 -0.518 0.000 1.141 514 D CA -0.100 53.612 54.000 -0.480 0.000 0.987 514 D CB 2.272 42.588 40.800 -0.806 0.000 1.116 514 D HN 0.559 nan 8.370 nan 0.000 0.491 515 C N 0.531 119.591 119.300 -0.400 0.000 2.421 515 C HA -0.101 4.359 4.460 0.000 0.000 0.296 515 C C 1.659 176.713 174.990 0.107 0.000 1.470 515 C CA -0.099 58.845 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 -1.352 119.036 120.300 0.146 0.000 2.607 516 Y HA 0.618 5.168 4.550 0.000 0.000 0.266 516 Y C 0.555 176.512 175.900 0.095 0.000 1.178 516 Y CA -2.390 55.782 58.100 0.120 0.000 1.226 516 Y CB -1.143 37.361 38.460 0.073 0.000 1.144 516 Y HN 0.152 nan 8.280 nan 0.000 0.528 517 I N 3.016 123.634 120.570 0.080 0.000 2.517 517 I HA 0.106 4.276 4.170 0.000 0.000 0.285 517 I C 0.373 176.579 176.117 0.149 0.000 1.106 517 I CA 0.157 61.532 61.300 0.125 0.000 1.402 517 I CB -0.150 37.881 38.000 0.051 0.000 1.399 517 I HN 0.427 nan 8.210 nan 0.000 0.535 518 N N 5.587 124.357 118.700 0.116 0.000 2.698 518 N HA -0.236 4.504 4.740 0.000 0.000 0.258 518 N C -0.321 175.238 175.510 0.083 0.000 0.978 518 N CA 0.561 53.646 53.050 0.058 0.000 0.777 518 N CB -0.867 37.656 38.487 0.061 0.000 0.907 518 N HN 0.592 nan 8.380 nan 0.000 0.543 519 L N 0.077 121.356 121.223 0.094 0.000 2.540 519 L HA 0.031 4.371 4.340 0.000 0.000 0.276 519 L C 1.661 178.564 176.870 0.056 0.000 1.212 519 L CA 1.220 56.119 54.840 0.099 0.000 0.893 519 L CB 0.174 42.292 42.059 0.100 0.000 1.138 519 L HN 0.623 nan 8.230 nan 0.000 0.491 520 G N 2.496 111.334 108.800 0.063 0.000 2.148 520 G HA2 -0.207 3.753 3.960 0.000 0.000 0.254 520 G HA3 -0.207 3.753 3.960 0.000 0.000 0.254 520 G C 0.095 175.023 174.900 0.047 0.000 0.981 520 G CA 0.111 45.239 45.100 0.046 0.000 0.670 520 G HN 1.016 nan 8.290 nan 0.000 0.528 521 A N -0.724 122.137 122.820 0.068 0.000 2.384 521 A HA 0.911 5.231 4.320 0.000 0.000 0.312 521 A C 0.188 177.858 177.584 0.143 0.000 1.113 521 A CA -0.180 51.907 52.037 0.084 0.000 0.779 521 A CB 1.136 20.161 19.000 0.042 0.000 1.307 521 A HN 0.764 nan 8.150 nan 0.000 0.436 522 R N 1.467 122.068 120.500 0.169 0.000 2.287 522 R HA 0.371 4.711 4.340 0.000 0.000 0.316 522 R C -1.627 174.844 176.300 0.285 0.000 1.050 522 R CA -0.197 56.005 56.100 0.171 0.000 0.983 522 R CB 0.534 30.899 30.300 0.108 0.000 1.140 522 R HN 0.767 nan 8.270 nan 0.000 0.528 523 W N 4.195 125.505 121.300 0.016 0.000 3.259 523 W HA 0.222 4.882 4.660 0.000 0.000 0.331 523 W C -1.275 175.239 176.519 -0.007 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 4.833 120.264 115.700 -0.449 0.000 2.537 524 S HA 0.510 4.980 4.470 0.000 0.000 0.275 524 S C -0.124 174.229 174.600 -0.411 0.000 1.272 524 S CA -0.669 57.316 58.200 -0.358 0.000 1.050 524 S CB 1.436 64.397 63.200 -0.399 0.000 0.961 524 S HN 0.429 nan 8.310 nan 0.000 0.496 525 L N 2.992 124.156 121.223 -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 -0.373 54.485 54.840 0.030 0.000 0.882 525 L CB 0.096 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 1.888 122.260 120.400 -0.046 0.000 2.190 526 D HA -0.217 4.423 4.640 0.000 0.000 0.200 526 D C 1.748 178.018 176.300 -0.049 0.000 0.992 526 D CA 1.702 55.643 54.000 -0.098 0.000 0.854 526 D CB 0.031 40.775 40.800 -0.092 0.000 0.936 526 D HN 0.510 nan 8.370 nan 0.000 0.462 527 Y N -0.178 120.152 120.300 0.049 0.000 2.293 527 Y HA -0.055 4.495 4.550 0.000 0.000 0.291 527 Y C 2.251 178.164 175.900 0.022 0.000 1.137 527 Y CA 0.675 58.800 58.100 0.042 0.000 1.202 527 Y CB -0.194 38.293 38.460 0.045 0.000 0.990 527 Y HN -0.021 nan 8.280 nan 0.000 0.537 528 M N -0.823 118.861 119.600 0.140 0.000 2.509 528 M HA -0.022 4.458 4.480 0.000 0.000 0.250 528 M C 1.011 177.305 176.300 -0.011 0.000 1.132 528 M CA 0.539 55.864 55.300 0.043 0.000 1.080 528 M CB -0.620 31.968 32.600 -0.020 0.000 1.408 528 M HN 0.137 nan 8.290 nan 0.000 0.484 529 D N 1.686 122.064 120.400 -0.036 0.000 2.133 529 D HA -0.149 4.491 4.640 0.000 0.000 0.195 529 D C 1.076 177.477 176.300 0.168 0.000 0.997 529 D CA 1.235 55.184 54.000 -0.084 0.000 0.840 529 D CB -0.189 40.511 40.800 -0.166 0.000 0.947 529 D HN 0.305 nan 8.370 nan 0.000 0.452 530 N N -0.153 118.692 118.700 0.241 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 0.357 0.000 1.141 530 N CA 0.003 53.258 53.050 0.342 0.000 0.830 530 N CB 0.945 39.568 38.487 0.226 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 0.201 0.000 2.439 531 V HA 0.137 4.257 4.120 0.000 0.000 0.282 531 V C 0.577 176.554 176.094 -0.196 0.000 1.039 531 V CA -1.173 61.177 62.300 0.084 0.000 0.913 531 V CB 1.433 33.282 31.823 0.043 0.000 0.983 531 V HN 0.193 nan 8.190 nan 0.000 0.460 532 N N 7.811 126.288 118.700 -0.373 0.000 2.386 532 N HA 0.007 4.747 4.740 0.000 0.000 0.273 532 N C -1.158 174.075 175.510 -0.462 0.000 1.331 532 N CA -1.049 51.468 53.050 -0.888 0.000 0.891 532 N CB 1.303 39.636 38.487 -0.255 0.000 1.139 532 N HN 0.405 nan 8.380 nan 0.000 0.487 533 P HA -0.062 nan 4.420 nan 0.000 0.229 533 P C 0.846 177.848 177.300 -0.497 0.000 1.160 533 P CA 0.908 63.625 63.100 -0.638 0.000 0.777 533 P CB 0.016 31.076 31.700 -1.067 0.000 0.814 534 F N 0.211 120.137 119.950 -0.039 0.000 2.512 534 F HA 0.072 4.599 4.527 0.000 0.000 0.296 534 F C 1.194 177.045 175.800 0.085 0.000 1.110 534 F CA 0.292 58.341 58.000 0.082 0.000 1.446 534 F CB -0.996 38.069 39.000 0.109 0.000 1.092 534 F HN -0.154 nan 8.300 nan 0.000 0.554 535 N N 1.241 120.067 118.700 0.210 0.000 2.895 535 N HA -0.010 4.730 4.740 0.000 0.000 0.277 535 N C -0.657 174.980 175.510 0.212 0.000 1.185 535 N CA 0.375 53.553 53.050 0.213 0.000 1.106 535 N CB -0.575 38.043 38.487 0.219 0.000 1.422 535 N HN 0.278 nan 8.380 nan 0.000 0.521 536 H N 0.587 119.686 119.070 0.048 0.000 3.012 536 H HA 0.063 4.619 4.556 0.000 0.000 0.367 536 H C 0.827 176.198 175.328 0.072 0.000 1.211 536 H CA -0.392 55.582 56.048 -0.124 0.000 1.139 536 H CB 1.251 30.740 29.762 -0.455 0.000 1.838 536 H HN 0.450 nan 8.280 nan 0.000 0.550 537 H N 2.578 121.689 119.070 0.069 0.000 2.559 537 H HA 0.082 4.638 4.556 0.000 0.000 0.273 537 H C 0.368 175.891 175.328 0.326 0.000 1.000 537 H CA 0.334 56.572 56.048 0.318 0.000 1.195 537 H CB 0.265 30.197 29.762 0.282 0.000 1.368 537 H HN 0.358 nan 8.280 nan 0.000 0.592 538 R N 1.088 121.615 120.500 0.045 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 -0.064 30.127 30.300 -0.181 0.000 1.215 538 R HN 0.385 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 0.060 4.800 4.740 0.000 0.000 0.250 539 N C 1.027 176.557 175.510 0.033 0.000 1.127 539 N CA -0.242 52.850 53.050 0.071 0.000 0.945 539 N CB 1.033 39.603 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 0.049 0.000 1.908 540 A HA -0.128 4.192 4.320 0.000 0.000 0.218 540 A C 2.027 179.659 177.584 0.080 0.000 1.181 540 A CA 1.862 53.949 52.037 0.082 0.000 0.627 540 A CB -1.086 17.996 19.000 0.137 0.000 0.818 540 A HN 0.782 nan 8.150 nan 0.000 0.445 541 G N -0.114 108.716 108.800 0.050 0.000 2.459 541 G HA2 -0.169 3.791 3.960 0.000 0.000 0.217 541 G HA3 -0.169 3.791 3.960 0.000 0.000 0.217 541 G C 1.494 176.348 174.900 -0.077 0.000 1.183 541 G CA 1.277 46.312 45.100 -0.109 0.000 0.776 541 G HN 0.585 nan 8.290 nan 0.000 0.552 542 L N 0.716 121.930 121.223 -0.015 0.000 2.046 542 L HA 0.075 4.415 4.340 0.000 0.000 0.208 542 L C 2.675 179.498 176.870 -0.078 0.000 1.077 542 L CA 2.282 57.117 54.840 -0.008 0.000 0.747 542 L CB -0.761 41.331 42.059 0.054 0.000 0.896 542 L HN 0.261 nan 8.230 nan 0.000 0.432 543 R N -1.853 118.526 120.500 -0.202 0.000 2.091 543 R HA -0.268 4.072 4.340 0.000 0.000 0.238 543 R C 2.421 178.621 176.300 -0.167 0.000 1.136 543 R CA 2.051 57.866 56.100 -0.474 0.000 0.959 543 R CB -0.660 29.330 30.300 -0.516 0.000 0.856 543 R HN 0.576 nan 8.270 nan 0.000 0.437 544 Y N 0.667 120.869 120.300 -0.163 0.000 2.163 544 Y HA -0.166 4.384 4.550 0.000 0.000 0.288 544 Y C 2.137 177.981 175.900 -0.094 0.000 1.136 544 Y CA 1.758 59.795 58.100 -0.106 0.000 1.147 544 Y CB -0.017 38.333 38.460 -0.183 0.000 0.987 544 Y HN -0.039 nan 8.280 nan 0.000 0.509 545 R N -0.527 119.940 120.500 -0.056 0.000 2.148 545 R HA -0.133 4.207 4.340 0.000 0.000 0.227 545 R C 2.746 179.007 176.300 -0.065 0.000 1.103 545 R CA 1.208 57.253 56.100 -0.091 0.000 0.983 545 R CB -0.439 29.842 30.300 -0.031 0.000 0.874 545 R HN 0.297 nan 8.270 nan 0.000 0.451 546 S N 0.162 115.853 115.700 -0.014 0.000 2.357 546 S HA -0.084 4.386 4.470 0.000 0.000 0.221 546 S C 1.806 176.460 174.600 0.090 0.000 1.031 546 S CA 1.037 59.294 58.200 0.094 0.000 0.982 546 S CB 0.053 63.433 63.200 0.299 0.000 0.853 546 S HN 0.215 nan 8.310 nan 0.000 0.458 547 M N 0.492 120.106 119.600 0.024 0.000 2.492 547 M HA 0.072 4.552 4.480 0.000 0.000 0.262 547 M C 1.734 177.982 176.300 -0.087 0.000 1.090 547 M CA 0.400 55.709 55.300 0.015 0.000 1.110 547 M CB -0.198 32.407 32.600 0.008 0.000 1.407 547 M HN 0.284 nan 8.290 nan 0.000 0.470 548 L N 0.401 121.500 121.223 -0.208 0.000 2.141 548 L HA -0.096 4.244 4.340 0.000 0.000 0.209 548 L C 1.929 178.770 176.870 -0.048 0.000 1.094 548 L CA 1.739 56.447 54.840 -0.220 0.000 0.763 548 L CB -0.382 41.490 42.059 -0.310 0.000 0.908 548 L HN 0.284 nan 8.230 nan 0.000 0.437 549 L N -1.889 119.335 121.223 0.001 0.000 2.209 549 L HA 0.303 4.643 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 0.456 55.328 54.840 0.054 0.000 0.790 549 L CB -0.327 41.746 42.059 0.024 0.000 0.932 549 L HN 0.410 nan 8.230 nan 0.000 0.447 550 G N -0.056 108.778 108.800 0.056 0.000 2.346 550 G HA2 -0.157 3.803 3.960 0.000 0.000 0.294 550 G HA3 -0.157 3.803 3.960 0.000 0.000 0.294 550 G C -0.627 174.373 174.900 0.167 0.000 1.294 550 G CA -0.045 45.108 45.100 0.088 0.000 0.962 550 G HN 0.074 nan 8.290 nan 0.000 0.508 551 N N -0.043 118.769 118.700 0.187 0.000 2.187 551 N HA 0.339 5.079 4.740 0.000 0.000 0.212 551 N C 0.716 176.430 175.510 0.339 0.000 1.152 551 N CA 0.762 53.974 53.050 0.270 0.000 0.872 551 N CB 1.151 39.734 38.487 0.159 0.000 1.025 551 N HN 1.070 nan 8.380 nan 0.000 0.514 552 G N 0.195 109.155 108.800 0.267 0.000 2.489 552 G HA2 0.326 4.286 3.960 0.000 0.000 0.327 552 G HA3 0.326 4.286 3.960 0.000 0.000 0.327 552 G C 0.419 175.371 174.900 0.087 0.000 1.189 552 G CA -0.789 44.437 45.100 0.210 0.000 0.962 552 G HN 0.137 nan 8.290 nan 0.000 0.486 553 R N -0.769 119.709 120.500 -0.038 0.000 2.073 553 R HA -0.007 4.333 4.340 0.000 0.000 0.229 553 R C -0.253 175.779 176.300 -0.447 0.000 1.120 553 R CA 0.826 56.726 56.100 -0.333 0.000 0.967 553 R CB -0.239 29.740 30.300 -0.535 0.000 0.862 553 R HN 0.457 nan 8.270 nan 0.000 0.436 554 Y N 0.641 120.934 120.300 -0.012 0.000 2.383 554 Y HA 0.366 4.916 4.550 0.000 0.000 0.344 554 Y C -0.590 175.309 175.900 -0.000 0.000 0.986 554 Y CA -0.775 57.317 58.100 -0.012 0.000 1.175 554 Y CB 1.729 40.192 38.460 0.005 0.000 1.152 554 Y HN -0.243 nan 8.280 nan 0.000 0.511 555 V N 6.122 126.122 119.914 0.143 0.000 2.524 555 V HA 0.384 4.504 4.120 0.000 0.000 0.297 555 V C -2.496 173.709 176.094 0.184 0.000 1.035 555 V CA -2.016 60.365 62.300 0.134 0.000 0.867 555 V CB 2.268 34.142 31.823 0.085 0.000 1.004 555 V HN 0.544 nan 8.190 nan 0.000 0.426 556 P HA 0.370 nan 4.420 nan 0.000 0.292 556 P C -0.928 176.437 177.300 0.109 0.000 1.326 556 P CA -0.171 62.954 63.100 0.042 0.000 0.787 556 P CB 0.663 32.364 31.700 0.002 0.000 0.903 557 F N 1.196 121.223 119.950 0.127 0.000 2.440 557 F HA 0.650 5.177 4.527 0.000 0.000 0.328 557 F C -0.375 175.534 175.800 0.181 0.000 1.070 557 F CA -1.162 56.944 58.000 0.177 0.000 1.011 557 F CB 1.426 40.601 39.000 0.292 0.000 1.226 557 F HN 0.403 nan 8.300 nan 0.000 0.491 558 H N 3.867 123.079 119.070 0.237 0.000 3.181 558 H HA 0.581 5.137 4.556 0.000 0.000 0.331 558 H C -1.480 173.913 175.328 0.108 0.000 0.988 558 H CA -0.915 55.192 56.048 0.098 0.000 1.449 558 H CB 1.424 31.201 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 0.200 0.000 3.145 559 I HA 0.534 4.704 4.170 0.000 0.000 0.313 559 I C -1.558 174.475 176.117 -0.141 0.000 1.122 559 I CA -1.272 59.974 61.300 -0.090 0.000 0.987 559 I CB 2.680 40.463 38.000 -0.362 0.000 1.236 559 I HN 0.389 nan 8.210 nan 0.000 0.453 560 Q N 2.394 122.071 119.800 -0.204 0.000 2.333 560 Q HA 0.629 4.969 4.340 0.000 0.000 0.268 560 Q C -1.216 174.839 176.000 0.092 0.000 1.007 560 Q CA -0.547 55.190 55.803 -0.110 0.000 0.810 560 Q CB 2.537 30.943 28.738 -0.552 0.000 1.264 560 Q HN 0.548 nan 8.270 nan 0.000 0.452 561 V N 4.851 124.870 119.914 0.176 0.000 2.417 561 V HA 0.577 4.697 4.120 0.000 0.000 0.291 561 V C -2.138 174.075 176.094 0.198 0.000 1.024 561 V CA -1.832 60.573 62.300 0.176 0.000 0.861 561 V CB 1.560 33.434 31.823 0.084 0.000 0.985 561 V HN 0.711 nan 8.190 nan 0.000 0.436 562 P HA 0.269 nan 4.420 nan 0.000 0.279 562 P C -1.251 175.890 177.300 -0.265 0.000 1.252 562 P CA -0.616 62.251 63.100 -0.388 0.000 0.811 562 P CB 1.327 32.450 31.700 -0.961 0.000 1.035 563 Q N 1.374 121.003 119.800 -0.285 0.000 2.274 563 Q HA 0.187 4.527 4.340 0.000 0.000 0.256 563 Q C 0.316 176.175 176.000 -0.235 0.000 0.927 563 Q CA 0.450 56.115 55.803 -0.230 0.000 0.939 563 Q CB 0.868 29.474 28.738 -0.221 0.000 1.201 563 Q HN 0.295 nan 8.270 nan 0.000 0.426 564 K N 3.413 123.707 120.400 -0.176 0.000 2.380 564 K HA 0.151 4.471 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 -0.337 0.000 1.040 564 K CB 0.420 32.507 32.500 -0.688 0.000 0.903 564 K HN 0.477 nan 8.250 nan 0.000 0.549 565 F N 2.841 122.717 119.950 -0.124 0.000 2.590 565 F HA -0.077 4.450 4.527 0.000 0.000 0.389 565 F C 1.110 176.897 175.800 -0.022 0.000 1.049 565 F CA -1.129 56.883 58.000 0.020 0.000 1.199 565 F CB 0.198 39.342 39.000 0.239 0.000 1.058 565 F HN 0.057 nan 8.300 nan 0.000 0.556 566 F N 4.298 123.925 119.950 -0.539 0.000 2.161 566 F HA -0.116 4.411 4.527 0.000 0.000 0.300 566 F C 1.767 177.322 175.800 -0.409 0.000 1.089 566 F CA 1.334 59.104 58.000 -0.384 0.000 1.282 566 F CB -1.211 37.620 39.000 -0.280 0.000 1.010 566 F HN 0.391 nan 8.300 nan 0.000 0.485 567 A N 1.193 123.067 122.820 -1.577 0.000 2.067 567 A HA 0.037 4.357 4.320 0.000 0.000 0.219 567 A C 2.101 179.379 177.584 -0.510 0.000 1.158 567 A CA 1.634 53.105 52.037 -0.943 0.000 0.661 567 A CB -1.116 17.457 19.000 -0.712 0.000 0.801 567 A HN 0.796 nan 8.150 nan 0.000 0.452 568 I N -4.744 115.613 120.570 -0.355 0.000 4.439 568 I HA 0.216 4.386 4.170 0.000 0.000 0.331 568 I C 1.618 177.535 176.117 -0.333 0.000 1.345 568 I CA 0.544 61.667 61.300 -0.296 0.000 1.193 568 I CB 0.001 37.956 38.000 -0.075 0.000 1.221 568 I HN 0.140 nan 8.210 nan 0.000 0.429 569 K N 1.976 122.196 120.400 -0.300 0.000 2.152 569 K HA -0.079 4.241 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 1.921 58.074 56.287 -0.224 0.000 0.933 569 K CB -0.175 32.246 32.500 -0.132 0.000 0.721 569 K HN 0.410 nan 8.250 nan 0.000 0.447 570 N N 0.813 119.291 118.700 -0.370 0.000 2.238 570 N HA 0.070 4.810 4.740 0.000 0.000 0.235 570 N C -0.626 174.752 175.510 -0.221 0.000 1.209 570 N CA -0.314 52.605 53.050 -0.218 0.000 0.879 570 N CB 0.572 39.030 38.487 -0.048 0.000 1.136 570 N HN 0.115 nan 8.380 nan 0.000 0.517 571 L N 1.622 122.611 121.223 -0.390 0.000 2.453 571 L HA 0.200 4.540 4.340 0.000 0.000 0.272 571 L C -0.203 176.621 176.870 -0.078 0.000 1.182 571 L CA -0.221 54.506 54.840 -0.189 0.000 0.858 571 L CB 0.511 42.410 42.059 -0.267 0.000 1.120 571 L HN -0.022 nan 8.230 nan 0.000 0.474 572 L N 5.874 127.111 121.223 0.023 0.000 2.259 572 L HA 0.423 4.763 4.340 0.000 0.000 0.288 572 L C -0.840 176.002 176.870 -0.048 0.000 1.051 572 L CA 0.084 54.915 54.840 -0.015 0.000 0.824 572 L CB 0.614 42.688 42.059 0.025 0.000 1.206 572 L HN 0.592 nan 8.230 nan 0.000 0.429 573 L N 5.721 126.876 121.223 -0.112 0.000 2.290 573 L HA 0.391 4.731 4.340 0.000 0.000 0.284 573 L C -0.058 176.797 176.870 -0.025 0.000 1.078 573 L CA 0.225 54.968 54.840 -0.162 0.000 0.815 573 L CB 1.001 42.852 42.059 -0.346 0.000 1.162 573 L HN 0.557 nan 8.230 nan 0.000 0.435 574 L N 4.538 125.785 121.223 0.040 0.000 2.469 574 L HA 0.452 4.793 4.340 0.000 0.000 0.253 574 L C -2.006 175.000 176.870 0.227 0.000 1.143 574 L CA -2.107 52.805 54.840 0.119 0.000 0.804 574 L CB 0.101 42.215 42.059 0.091 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 -0.171 177.216 177.300 0.145 0.000 1.187 575 P CA 0.482 63.679 63.100 0.163 0.000 0.766 575 P CB 0.513 32.264 31.700 0.086 0.000 0.820 576 G N 0.637 109.479 108.800 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 -1.452 173.236 174.900 -0.353 0.000 1.329 576 G CA -0.606 44.374 45.100 -0.199 0.000 0.935 576 G HN 0.340 nan 8.290 nan 0.000 0.590 577 S N -0.229 115.147 115.700 -0.540 0.000 2.454 577 S HA 0.804 5.274 4.470 0.000 0.000 0.306 577 S C -1.301 172.941 174.600 -0.596 0.000 1.100 577 S CA -0.346 57.635 58.200 -0.365 0.000 1.087 577 S CB 0.832 63.940 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 -1.000 57.111 58.100 0.019 0.000 1.044 578 Y CB 1.455 39.907 38.460 -0.014 0.000 1.245 578 Y HN 0.442 nan 8.280 nan 0.000 0.461 579 T N 2.654 117.349 114.554 0.235 0.000 2.743 579 T HA 0.294 4.644 4.350 0.000 0.000 0.293 579 T C -1.510 173.396 174.700 0.342 0.000 0.945 579 T CA -0.199 62.035 62.100 0.223 0.000 1.030 579 T CB -0.298 68.658 68.868 0.146 0.000 0.912 579 T HN 0.635 nan 8.240 nan 0.000 0.483 580 Y N 4.442 124.876 120.300 0.224 0.000 2.328 580 Y HA 0.499 5.049 4.550 0.000 0.000 0.333 580 Y C -0.198 175.950 175.900 0.414 0.000 0.958 580 Y CA -0.899 57.381 58.100 0.300 0.000 1.167 580 Y CB 0.804 39.412 38.460 0.247 0.000 1.151 580 Y HN 0.689 nan 8.280 nan 0.000 0.470 581 E N 6.693 127.115 120.200 0.370 0.000 2.293 581 E HA 0.251 4.601 4.350 0.000 0.000 0.270 581 E C -1.988 174.687 176.600 0.126 0.000 0.879 581 E CA -0.607 55.901 56.400 0.180 0.000 0.756 581 E CB 1.852 31.584 29.700 0.054 0.000 1.208 581 E HN 0.724 nan 8.360 nan 0.000 0.428 582 W N 2.661 123.856 121.300 -0.174 0.000 3.118 582 W HA 0.398 5.058 4.660 0.000 0.000 0.328 582 W C -1.196 175.121 176.519 -0.336 0.000 1.239 582 W CA -0.622 56.520 57.345 -0.339 0.000 1.176 582 W CB 2.210 31.321 29.460 -0.581 0.000 1.433 582 W HN 0.526 nan 8.180 nan 0.000 0.562 583 N N 2.036 120.493 118.700 -0.404 0.000 2.361 583 N HA 0.503 5.243 4.740 0.000 0.000 0.302 583 N C -1.535 173.917 175.510 -0.097 0.000 1.074 583 N CA -0.244 52.729 53.050 -0.128 0.000 0.850 583 N CB 1.781 40.130 38.487 -0.231 0.000 1.228 583 N HN 0.041 nan 8.380 nan 0.000 0.491 584 F N 0.507 120.639 119.950 0.304 0.000 2.532 584 F HA 0.471 4.998 4.527 0.000 0.000 0.321 584 F C 0.985 177.005 175.800 0.366 0.000 1.089 584 F CA -0.873 57.258 58.000 0.218 0.000 0.926 584 F CB 1.461 40.425 39.000 -0.059 0.000 1.168 584 F HN 0.037 nan 8.300 nan 0.000 0.459 585 R N 1.594 122.287 120.500 0.322 0.000 2.531 585 R HA 0.368 4.708 4.340 0.000 0.000 0.273 585 R C 0.356 176.939 176.300 0.471 0.000 1.070 585 R CA -0.504 55.768 56.100 0.287 0.000 1.112 585 R CB 1.155 31.430 30.300 -0.042 0.000 1.049 585 R HN 0.701 nan 8.270 nan 0.000 0.508 586 K N 0.433 121.078 120.400 0.410 0.000 2.402 586 K HA 0.019 4.339 4.320 0.000 0.000 0.203 586 K C -0.337 176.390 176.600 0.211 0.000 1.077 586 K CA -0.105 56.347 56.287 0.274 0.000 1.051 586 K CB 0.513 33.150 32.500 0.228 0.000 0.907 586 K HN 0.475 nan 8.250 nan 0.000 0.554 587 D N 2.098 122.665 120.400 0.279 0.000 2.363 587 D HA -0.044 4.596 4.640 0.000 0.000 0.263 587 D C 1.375 177.775 176.300 0.167 0.000 1.258 587 D CA -0.080 54.082 54.000 0.270 0.000 0.907 587 D CB 1.218 42.199 40.800 0.301 0.000 1.107 587 D HN -0.046 nan 8.370 nan 0.000 0.495 588 V N 2.302 122.285 119.914 0.115 0.000 2.568 588 V HA -0.211 3.909 4.120 0.000 0.000 0.253 588 V C 1.586 177.709 176.094 0.048 0.000 1.072 588 V CA 1.357 63.685 62.300 0.046 0.000 1.084 588 V CB -0.602 31.218 31.823 -0.006 0.000 0.676 588 V HN 0.395 nan 8.190 nan 0.000 0.469 589 N N -0.304 118.450 118.700 0.090 0.000 2.459 589 N HA 0.064 4.804 4.740 0.000 0.000 0.181 589 N C 1.526 177.169 175.510 0.222 0.000 1.046 589 N CA 1.294 54.405 53.050 0.101 0.000 0.904 589 N CB -0.032 38.514 38.487 0.099 0.000 0.964 589 N HN 0.458 nan 8.380 nan 0.000 0.444 590 M N -0.628 119.084 119.600 0.187 0.000 2.718 590 M HA 0.096 4.576 4.480 0.000 0.000 0.259 590 M C 2.054 178.442 176.300 0.146 0.000 1.240 590 M CA 0.645 56.039 55.300 0.158 0.000 1.210 590 M CB -0.815 31.832 32.600 0.077 0.000 1.281 590 M HN 0.005 nan 8.290 nan 0.000 0.515 591 V N -1.487 118.522 119.914 0.158 0.000 2.951 591 V HA 0.159 4.279 4.120 0.000 0.000 0.255 591 V C 1.047 177.254 176.094 0.188 0.000 1.088 591 V CA 0.457 62.896 62.300 0.232 0.000 1.109 591 V CB -0.500 31.509 31.823 0.309 0.000 0.724 591 V HN 0.188 nan 8.190 nan 0.000 0.471 592 L N 0.854 122.103 121.223 0.042 0.000 2.334 592 L HA 0.641 4.981 4.340 0.000 0.000 0.270 592 L C -0.377 176.471 176.870 -0.037 0.000 1.018 592 L CA -0.394 54.398 54.840 -0.080 0.000 0.811 592 L CB 1.778 43.728 42.059 -0.182 0.000 1.271 592 L HN 0.267 nan 8.230 nan 0.000 0.443 593 Q N 1.068 120.834 119.800 -0.057 0.000 2.331 593 Q HA 0.525 4.865 4.340 0.000 0.000 0.272 593 Q C -1.474 174.510 176.000 -0.026 0.000 1.062 593 Q CA -0.539 55.244 55.803 -0.035 0.000 0.806 593 Q CB 2.586 31.332 28.738 0.013 0.000 1.312 593 Q HN 0.771 nan 8.270 nan 0.000 0.431 594 S N 0.598 116.277 115.700 -0.035 0.000 2.600 594 S HA 0.403 4.873 4.470 0.000 0.000 0.300 594 S C 0.563 175.203 174.600 0.067 0.000 1.087 594 S CA -0.080 58.132 58.200 0.021 0.000 0.965 594 S CB 1.701 64.888 63.200 -0.022 0.000 1.089 594 S HN 0.719 nan 8.310 nan 0.000 0.496 595 S N 0.968 116.758 115.700 0.150 0.000 2.436 595 S HA 0.011 4.481 4.470 0.000 0.000 0.228 595 S C 1.360 176.070 174.600 0.183 0.000 1.014 595 S CA 0.243 58.566 58.200 0.204 0.000 0.950 595 S CB -0.541 62.853 63.200 0.322 0.000 0.784 595 S HN 0.495 nan 8.310 nan 0.000 0.504 596 L N 1.518 122.814 121.223 0.122 0.000 2.375 596 L HA 0.389 4.729 4.340 0.000 0.000 0.215 596 L C 1.935 178.841 176.870 0.059 0.000 1.108 596 L CA 1.163 56.059 54.840 0.093 0.000 0.830 596 L CB -1.288 40.811 42.059 0.068 0.000 0.959 596 L HN 0.591 nan 8.230 nan 0.000 0.457 597 G N 0.141 108.930 108.800 -0.017 0.000 2.143 597 G HA2 -0.307 3.653 3.960 0.000 0.000 0.248 597 G HA3 -0.307 3.653 3.960 0.000 0.000 0.248 597 G C 0.389 175.212 174.900 -0.129 0.000 0.991 597 G CA 0.462 45.456 45.100 -0.175 0.000 0.689 597 G HN 0.553 nan 8.290 nan 0.000 0.522 598 N N 0.500 119.175 118.700 -0.041 0.000 2.371 598 N HA 0.241 4.981 4.740 0.000 0.000 0.243 598 N C -0.382 175.090 175.510 -0.062 0.000 1.287 598 N CA -0.057 52.987 53.050 -0.010 0.000 0.911 598 N CB 0.610 39.133 38.487 0.059 0.000 1.142 598 N HN 0.115 nan 8.380 nan 0.000 0.451 599 D N 0.583 120.959 120.400 -0.040 0.000 2.348 599 D HA 0.070 4.710 4.640 0.000 0.000 0.259 599 D C 1.036 177.311 176.300 -0.042 0.000 1.296 599 D CA -0.206 53.759 54.000 -0.057 0.000 0.931 599 D CB 0.022 40.801 40.800 -0.035 0.000 1.067 599 D HN 0.481 nan 8.370 nan 0.000 0.503 600 L N 3.732 124.920 121.223 -0.059 0.000 2.362 600 L HA -0.066 4.274 4.340 0.000 0.000 0.219 600 L C 2.403 179.261 176.870 -0.021 0.000 1.134 600 L CA 0.449 55.260 54.840 -0.048 0.000 0.807 600 L CB -0.114 41.906 42.059 -0.066 0.000 0.927 600 L HN 0.303 nan 8.230 nan 0.000 0.447 601 R N -0.617 119.883 120.500 -0.001 0.000 2.090 601 R HA -0.057 4.283 4.340 0.000 0.000 0.228 601 R C 2.176 178.490 176.300 0.023 0.000 1.110 601 R CA 0.973 57.092 56.100 0.031 0.000 0.973 601 R CB -0.448 29.890 30.300 0.064 0.000 0.869 601 R HN 0.203 nan 8.270 nan 0.000 0.440 602 V N 1.558 121.479 119.914 0.012 0.000 2.535 602 V HA -0.108 4.012 4.120 0.000 0.000 0.246 602 V C 0.806 176.904 176.094 0.007 0.000 1.045 602 V CA 1.460 63.767 62.300 0.012 0.000 1.058 602 V CB -0.195 31.633 31.823 0.009 0.000 0.689 602 V HN 0.165 nan 8.190 nan 0.000 0.461 603 D N 0.510 120.908 120.400 -0.003 0.000 2.519 603 D HA 0.229 4.869 4.640 0.000 0.000 0.238 603 D C 1.614 177.896 176.300 -0.030 0.000 1.192 603 D CA 0.875 54.868 54.000 -0.012 0.000 0.835 603 D CB -0.083 40.708 40.800 -0.015 0.000 0.975 603 D HN 0.457 nan 8.370 nan 0.000 0.490 604 G N 0.612 109.402 108.800 -0.017 0.000 2.166 604 G HA2 -0.294 3.666 3.960 0.000 0.000 0.260 604 G HA3 -0.294 3.666 3.960 0.000 0.000 0.260 604 G C 0.644 175.524 174.900 -0.033 0.000 0.986 604 G CA 0.304 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 -0.544 122.246 122.820 -0.049 0.000 2.462 605 A HA 0.742 5.062 4.320 0.000 0.000 0.243 605 A C 0.657 178.212 177.584 -0.048 0.000 1.076 605 A CA 1.107 53.099 52.037 -0.074 0.000 0.773 605 A CB 0.898 19.842 19.000 -0.094 0.000 1.010 605 A HN 1.646 nan 8.150 nan 0.000 0.493 606 S N 0.929 116.596 115.700 -0.055 0.000 2.546 606 S HA 0.721 5.191 4.470 0.000 0.000 0.274 606 S C -1.143 173.428 174.600 -0.048 0.000 1.121 606 S CA -0.520 57.660 58.200 -0.034 0.000 0.887 606 S CB 0.918 64.115 63.200 -0.004 0.000 1.094 606 S HN 1.006 nan 8.310 nan 0.000 0.474 607 I N 2.837 123.367 120.570 -0.068 0.000 2.722 607 I HA 0.603 4.773 4.170 0.000 0.000 0.295 607 I C -1.567 174.432 176.117 -0.197 0.000 1.161 607 I CA -0.565 60.676 61.300 -0.098 0.000 1.032 607 I CB 1.892 39.795 38.000 -0.161 0.000 1.244 607 I HN 0.733 nan 8.210 nan 0.000 0.421 608 K N 6.672 126.969 120.400 -0.172 0.000 2.468 608 K HA 0.491 4.811 4.320 0.000 0.000 0.252 608 K C -1.992 174.465 176.600 -0.239 0.000 0.932 608 K CA -0.516 55.635 56.287 -0.228 0.000 0.794 608 K CB 1.575 34.022 32.500 -0.088 0.000 1.241 608 K HN 0.491 nan 8.250 nan 0.000 0.428 609 F N 3.784 123.674 119.950 -0.100 0.000 2.371 609 F HA 0.165 4.692 4.527 0.000 0.000 0.363 609 F C 0.944 176.570 175.800 -0.290 0.000 1.122 609 F CA -0.739 57.084 58.000 -0.295 0.000 1.129 609 F CB 1.261 39.822 39.000 -0.732 0.000 1.173 609 F HN 0.636 nan 8.300 nan 0.000 0.489 610 D N 0.992 121.357 120.400 -0.058 0.000 2.149 610 D HA -0.042 4.598 4.640 0.000 0.000 0.206 610 D C 0.737 177.016 176.300 -0.034 0.000 0.967 610 D CA 1.149 55.115 54.000 -0.056 0.000 0.848 610 D CB 0.296 41.035 40.800 -0.101 0.000 0.998 610 D HN 0.443 nan 8.370 nan 0.000 0.474 611 S N -0.658 114.998 115.700 -0.075 0.000 2.537 611 S HA 0.596 5.066 4.470 0.000 0.000 0.270 611 S C -1.024 173.545 174.600 -0.051 0.000 1.142 611 S CA -0.985 57.198 58.200 -0.028 0.000 0.870 611 S CB 2.179 65.370 63.200 -0.016 0.000 1.112 611 S HN 0.120 nan 8.310 nan 0.000 0.466 612 I N 1.826 122.413 120.570 0.028 0.000 2.534 612 I HA 0.699 4.870 4.170 0.000 0.000 0.288 612 I C -1.310 174.985 176.117 0.298 0.000 1.077 612 I CA -0.365 60.974 61.300 0.064 0.000 1.051 612 I CB 1.123 39.066 38.000 -0.095 0.000 1.234 612 I HN 0.966 nan 8.210 nan 0.000 0.425 613 C N 5.950 125.439 119.300 0.316 0.000 2.771 613 C HA 0.710 5.170 4.460 0.000 0.000 0.333 613 C C -0.668 174.427 174.990 0.175 0.000 1.267 613 C CA -0.641 58.573 59.018 0.327 0.000 1.721 613 C CB 1.767 29.622 27.740 0.192 0.000 2.222 613 C HN 0.668 nan 8.230 nan 0.000 0.485 614 L N 1.639 122.797 121.223 -0.109 0.000 2.333 614 L HA 0.621 4.961 4.340 0.000 0.000 0.280 614 L C -1.476 175.283 176.870 -0.185 0.000 1.004 614 L CA -0.039 54.631 54.840 -0.283 0.000 0.820 614 L CB 0.454 42.079 42.059 -0.723 0.000 1.247 614 L HN 0.664 nan 8.230 nan 0.000 0.416 615 Y N 3.576 123.689 120.300 -0.312 0.000 2.446 615 Y HA 0.829 5.379 4.550 0.000 0.000 0.338 615 Y C 0.133 175.850 175.900 -0.306 0.000 1.055 615 Y CA -0.327 57.564 58.100 -0.349 0.000 1.101 615 Y CB 2.298 40.337 38.460 -0.703 0.000 1.221 615 Y HN 0.777 nan 8.280 nan 0.000 0.460 616 A N 1.588 124.455 122.820 0.079 0.000 2.459 616 A HA 0.733 5.053 4.320 0.000 0.000 0.296 616 A C -1.134 176.509 177.584 0.099 0.000 1.039 616 A CA -0.694 51.358 52.037 0.025 0.000 0.698 616 A CB 1.114 20.181 19.000 0.111 0.000 1.261 616 A HN 0.586 nan 8.150 nan 0.000 0.405 617 T N 2.066 116.605 114.554 -0.024 0.000 2.823 617 T HA 0.676 5.026 4.350 0.000 0.000 0.279 617 T C -1.058 173.647 174.700 0.007 0.000 0.998 617 T CA 0.080 62.254 62.100 0.124 0.000 0.994 617 T CB 0.329 69.280 68.868 0.138 0.000 0.960 617 T HN 0.331 nan 8.240 nan 0.000 0.448 618 F N 1.931 121.951 119.950 0.117 0.000 2.482 618 F HA 0.508 5.035 4.527 0.000 0.000 0.331 618 F C 0.041 175.937 175.800 0.160 0.000 1.115 618 F CA -1.849 56.237 58.000 0.142 0.000 0.955 618 F CB 0.912 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 6.327 126.407 119.950 0.217 0.000 2.578 619 F HA 0.242 4.769 4.527 0.000 0.000 0.376 619 F C -1.602 174.302 175.800 0.173 0.000 1.085 619 F CA -1.877 56.214 58.000 0.151 0.000 1.260 619 F CB 0.703 39.768 39.000 0.108 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 0.003 63.052 63.100 -0.084 0.000 0.943 620 P CB -0.124 31.468 31.700 -0.180 0.000 1.936 621 M N 1.518 121.328 119.600 0.351 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 -0.114 55.460 55.300 0.457 0.000 1.115 621 M CB 0.637 33.522 32.600 0.475 0.000 1.606 621 M HN 0.163 nan 8.290 nan 0.000 0.448 622 A N 3.704 126.643 122.820 0.199 0.000 2.540 622 A HA -0.001 4.319 4.320 0.000 0.000 0.239 622 A C 0.537 178.247 177.584 0.210 0.000 1.061 622 A CA -0.141 51.959 52.037 0.106 0.000 0.758 622 A CB -0.069 18.988 19.000 0.095 0.000 0.991 622 A HN 1.013 nan 8.150 nan 0.000 0.502 623 H N 2.321 121.437 119.070 0.077 0.000 2.422 623 H HA -0.153 4.403 4.556 0.000 0.000 0.298 623 H C 2.032 177.397 175.328 0.063 0.000 1.098 623 H CA 2.028 58.115 56.048 0.067 0.000 1.315 623 H CB -0.110 29.682 29.762 0.050 0.000 1.382 623 H HN 0.894 nan 8.280 nan 0.000 0.523 624 N N 0.255 119.065 118.700 0.184 0.000 2.188 624 N HA -0.100 4.640 4.740 0.000 0.000 0.184 624 N C 1.522 177.095 175.510 0.105 0.000 1.018 624 N CA 1.598 54.721 53.050 0.122 0.000 0.858 624 N CB -0.787 37.759 38.487 0.099 0.000 0.989 624 N HN 0.204 nan 8.380 nan 0.000 0.426 625 T N 1.212 115.834 114.554 0.114 0.000 2.737 625 T HA 0.098 4.448 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 1.576 63.732 62.100 0.093 0.000 1.144 625 T CB -0.488 68.438 68.868 0.095 0.000 0.866 625 T HN 0.487 nan 8.240 nan 0.000 0.434 626 A N 1.316 124.213 122.820 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 0.081 0.000 1.181 626 A CA 2.198 54.306 52.037 0.117 0.000 0.627 626 A CB -1.156 17.940 19.000 0.160 0.000 0.818 626 A HN 0.457 nan 8.150 nan 0.000 0.445 627 S N -1.139 114.609 115.700 0.079 0.000 2.370 627 S HA -0.156 4.314 4.470 0.000 0.000 0.226 627 S C 2.043 176.671 174.600 0.047 0.000 1.033 627 S CA 2.308 60.541 58.200 0.055 0.000 1.011 627 S CB -0.606 62.627 63.200 0.056 0.000 0.852 627 S HN 0.609 nan 8.310 nan 0.000 0.457 628 T N 2.357 116.942 114.554 0.051 0.000 2.812 628 T HA 0.012 4.362 4.350 0.000 0.000 0.264 628 T C 1.682 176.401 174.700 0.032 0.000 1.042 628 T CA 1.287 63.411 62.100 0.040 0.000 1.140 628 T CB -0.448 68.445 68.868 0.042 0.000 0.870 628 T HN 0.354 nan 8.240 nan 0.000 0.445 629 L N 1.636 122.881 121.223 0.035 0.000 2.083 629 L HA -0.026 4.314 4.340 0.000 0.000 0.209 629 L C 2.418 179.303 176.870 0.025 0.000 1.083 629 L CA 1.922 56.777 54.840 0.025 0.000 0.752 629 L CB -0.609 41.465 42.059 0.025 0.000 0.899 629 L HN 0.321 nan 8.230 nan 0.000 0.433 630 E N -0.370 119.849 120.200 0.033 0.000 2.077 630 E HA -0.243 4.107 4.350 0.000 0.000 0.193 630 E C 2.074 178.684 176.600 0.016 0.000 0.989 630 E CA 1.221 57.639 56.400 0.029 0.000 0.800 630 E CB -0.241 29.481 29.700 0.037 0.000 0.746 630 E HN 0.587 nan 8.360 nan 0.000 0.452 631 A N 1.092 123.923 122.820 0.018 0.000 1.908 631 A HA -0.190 4.130 4.320 0.000 0.000 0.218 631 A C 2.266 179.854 177.584 0.006 0.000 1.181 631 A CA 1.864 53.907 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 0.352 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 -0.052 4.428 4.480 0.000 0.000 0.263 632 M C 1.829 178.132 176.300 0.006 0.000 1.065 632 M CA 1.261 56.565 55.300 0.008 0.000 1.122 632 M CB -0.445 32.160 32.600 0.008 0.000 1.365 632 M HN 0.326 nan 8.290 nan 0.000 0.411 633 L N -0.654 120.572 121.223 0.005 0.000 2.551 633 L HA -0.088 4.252 4.340 0.000 0.000 0.228 633 L C 2.157 179.025 176.870 -0.003 0.000 1.153 633 L CA 0.502 55.346 54.840 0.005 0.000 0.851 633 L CB -0.468 41.596 42.059 0.008 0.000 0.959 633 L HN 0.264 nan 8.230 nan 0.000 0.451 634 R N -0.430 120.059 120.500 -0.019 0.000 2.297 634 R HA 0.081 4.421 4.340 0.000 0.000 0.197 634 R C 0.049 176.329 176.300 -0.034 0.000 0.943 634 R CA -0.089 55.971 56.100 -0.067 0.000 1.038 634 R CB 0.084 30.328 30.300 -0.093 0.000 0.957 634 R HN 0.345 nan 8.270 nan 0.000 0.484 635 N N 1.641 120.352 118.700 0.019 0.000 2.514 635 N HA -0.026 4.714 4.740 0.000 0.000 0.277 635 N C 0.147 175.725 175.510 0.113 0.000 1.126 635 N CA 0.109 53.194 53.050 0.059 0.000 0.978 635 N CB 1.331 39.836 38.487 0.030 0.000 1.106 635 N HN 0.111 nan 8.380 nan 0.000 0.461 636 D N -0.356 120.135 120.400 0.151 0.000 2.221 636 D HA -0.184 4.456 4.640 0.000 0.000 0.204 636 D C 1.501 177.802 176.300 0.002 0.000 0.982 636 D CA 1.176 55.208 54.000 0.054 0.000 0.857 636 D CB -0.222 40.469 40.800 -0.182 0.000 0.934 636 D HN 0.522 nan 8.370 nan 0.000 0.475 637 T N -0.628 113.928 114.554 0.003 0.000 2.833 637 T HA -0.149 4.201 4.350 0.000 0.000 0.269 637 T C 1.097 175.791 174.700 -0.010 0.000 1.054 637 T CA 0.982 63.076 62.100 -0.011 0.000 1.135 637 T CB -0.392 68.472 68.868 -0.008 0.000 0.869 637 T HN 0.098 nan 8.240 nan 0.000 0.466 638 N N 1.893 120.597 118.700 0.006 0.000 2.320 638 N HA 0.115 4.855 4.740 0.000 0.000 0.237 638 N C -0.892 174.621 175.510 0.005 0.000 1.129 638 N CA -0.143 52.906 53.050 -0.002 0.000 0.854 638 N CB 0.252 38.739 38.487 0.001 0.000 1.083 638 N HN 0.478 nan 8.380 nan 0.000 0.504 639 D N 1.482 121.891 120.400 0.015 0.000 2.423 639 D HA 0.045 4.685 4.640 0.000 0.000 0.238 639 D C 0.745 177.019 176.300 -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 0.031 0.000 1.199 639 D HN 0.118 nan 8.370 nan 0.000 0.438 640 Q N 0.155 119.926 119.800 -0.048 0.000 2.312 640 Q HA 0.514 4.854 4.340 0.000 0.000 0.236 640 Q C -0.338 175.485 176.000 -0.295 0.000 0.965 640 Q CA -0.460 55.230 55.803 -0.187 0.000 0.894 640 Q CB 1.230 29.924 28.738 -0.073 0.000 1.225 640 Q HN 0.512 nan 8.270 nan 0.000 0.478 641 S N 0.390 115.688 115.700 -0.671 0.000 2.533 641 S HA 0.758 5.228 4.470 0.000 0.000 0.271 641 S C -1.373 172.721 174.600 -0.843 0.000 1.143 641 S CA -0.849 57.047 58.200 -0.507 0.000 0.891 641 S CB 0.785 63.846 63.200 -0.231 0.000 1.105 641 S HN 0.410 nan 8.310 nan 0.000 0.468 642 F N 1.425 121.413 119.950 0.064 0.000 2.613 642 F HA 0.660 5.187 4.527 0.000 0.000 0.314 642 F C -0.143 175.784 175.800 0.211 0.000 1.075 642 F CA -0.778 57.300 58.000 0.130 0.000 0.945 642 F CB 1.909 40.998 39.000 0.149 0.000 1.310 642 F HN 0.830 nan 8.300 nan 0.000 0.467 643 N N -0.145 118.742 118.700 0.310 0.000 2.229 643 N HA 0.268 5.008 4.740 0.000 0.000 0.298 643 N C -1.862 173.525 175.510 -0.204 0.000 1.114 643 N CA -0.612 52.450 53.050 0.020 0.000 0.776 643 N CB 2.288 40.779 38.487 0.006 0.000 1.501 643 N HN 0.632 nan 8.380 nan 0.000 0.474 644 D N 0.249 120.149 120.400 -0.833 0.000 2.424 644 D HA -0.013 4.627 4.640 0.000 0.000 0.244 644 D C 0.903 177.049 176.300 -0.256 0.000 1.134 644 D CA -0.109 53.476 54.000 -0.692 0.000 0.881 644 D CB 0.563 40.782 40.800 -0.968 0.000 1.191 644 D HN 0.501 nan 8.370 nan 0.000 0.445 645 Y N 3.624 123.816 120.300 -0.180 0.000 2.145 645 Y HA -0.162 4.388 4.550 0.000 0.000 0.286 645 Y C 1.744 177.550 175.900 -0.158 0.000 1.145 645 Y CA 1.437 59.457 58.100 -0.133 0.000 1.148 645 Y CB -0.254 38.151 38.460 -0.090 0.000 0.981 645 Y HN 0.531 nan 8.280 nan 0.000 0.507 646 L N 0.526 121.716 121.223 -0.055 0.000 2.083 646 L HA -0.094 4.246 4.340 0.000 0.000 0.209 646 L C 1.127 177.850 176.870 -0.244 0.000 1.083 646 L CA 1.749 56.511 54.840 -0.130 0.000 0.752 646 L CB -0.848 41.188 42.059 -0.039 0.000 0.899 646 L HN 0.217 nan 8.230 nan 0.000 0.433 647 S N -0.051 115.490 115.700 -0.264 0.000 3.356 647 S HA 0.010 4.480 4.470 0.000 0.000 0.376 647 S C 0.057 174.523 174.600 -0.223 0.000 0.924 647 S CA 0.498 58.524 58.200 -0.289 0.000 1.316 647 S CB -1.625 61.337 63.200 -0.396 0.000 0.922 647 S HN 0.944 nan 8.310 nan 0.000 0.553 648 A N 0.553 123.292 122.820 -0.134 0.000 2.612 648 A HA 0.867 5.187 4.320 0.000 0.000 0.293 648 A C -0.519 177.056 177.584 -0.015 0.000 1.075 648 A CA -0.090 51.900 52.037 -0.079 0.000 0.680 648 A CB 1.068 20.021 19.000 -0.078 0.000 1.279 648 A HN 1.501 nan 8.150 nan 0.000 0.411 649 A N 1.616 124.418 122.820 -0.029 0.000 2.274 649 A HA 0.637 4.957 4.320 0.000 0.000 0.309 649 A C -0.392 177.261 177.584 0.115 0.000 1.226 649 A CA -0.633 51.387 52.037 -0.029 0.000 0.853 649 A CB 0.103 18.912 19.000 -0.318 0.000 1.146 649 A HN 0.670 nan 8.150 nan 0.000 0.518 650 N N 3.277 122.094 118.700 0.196 0.000 2.425 650 N HA 0.426 5.166 4.740 0.000 0.000 0.268 650 N C -0.914 174.782 175.510 0.310 0.000 0.991 650 N CA -0.229 53.037 53.050 0.360 0.000 0.931 650 N CB 1.414 40.157 38.487 0.427 0.000 1.130 650 N HN 0.531 nan 8.380 nan 0.000 0.493 651 M N 2.494 122.331 119.600 0.396 0.000 2.465 651 M HA 0.509 4.989 4.480 0.000 0.000 0.316 651 M C -0.547 175.834 176.300 0.135 0.000 1.121 651 M CA -0.547 54.874 55.300 0.202 0.000 0.934 651 M CB 1.791 34.620 32.600 0.381 0.000 1.692 651 M HN 0.249 nan 8.290 nan 0.000 0.444 652 L N 3.044 124.141 121.223 -0.209 0.000 2.376 652 L HA 0.534 4.874 4.340 0.000 0.000 0.275 652 L C -1.596 175.045 176.870 -0.382 0.000 0.987 652 L CA -0.644 54.105 54.840 -0.151 0.000 0.828 652 L CB 1.660 43.617 42.059 -0.169 0.000 1.249 652 L HN 0.563 nan 8.230 nan 0.000 0.409 653 Y N 3.442 123.778 120.300 0.061 0.000 2.341 653 Y HA 0.427 4.977 4.550 0.000 0.000 0.338 653 Y C -2.117 173.787 175.900 0.007 0.000 0.965 653 Y CA -2.662 55.460 58.100 0.037 0.000 1.108 653 Y CB 1.566 40.050 38.460 0.039 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 -0.561 176.772 177.300 0.054 0.000 1.216 654 P CA 0.224 63.358 63.100 0.057 0.000 0.771 654 P CB 1.408 33.127 31.700 0.030 0.000 0.864 655 I N 4.735 125.317 120.570 0.021 0.000 2.437 655 I HA 0.257 4.427 4.170 0.000 0.000 0.279 655 I C -2.277 173.834 176.117 -0.009 0.000 1.028 655 I CA -2.774 58.526 61.300 -0.001 0.000 1.142 655 I CB 1.641 39.622 38.000 -0.031 0.000 1.266 655 I HN 0.062 nan 8.210 nan 0.000 0.461 656 P HA -0.016 nan 4.420 nan 0.000 0.267 656 P C -0.070 177.222 177.300 -0.014 0.000 1.201 656 P CA -0.125 62.971 63.100 -0.008 0.000 0.775 656 P CB 0.577 32.275 31.700 -0.003 0.000 0.854 657 A N 2.869 125.682 122.820 -0.013 0.000 2.565 657 A HA -0.018 4.302 4.320 0.000 0.000 0.237 657 A C 0.912 178.490 177.584 -0.010 0.000 1.053 657 A CA 0.792 52.822 52.037 -0.011 0.000 0.755 657 A CB -1.379 17.617 19.000 -0.008 0.000 0.980 657 A HN 0.829 nan 8.150 nan 0.000 0.506 658 N N -0.838 117.855 118.700 -0.012 0.000 2.900 658 N HA -0.222 4.518 4.740 0.000 0.000 0.240 658 N C 0.371 175.872 175.510 -0.015 0.000 0.953 658 N CA 0.540 53.584 53.050 -0.010 0.000 0.950 658 N CB -1.509 36.977 38.487 -0.002 0.000 1.102 658 N HN 1.219 nan 8.380 nan 0.000 0.593 659 A N 0.090 122.899 122.820 -0.018 0.000 2.483 659 A HA 0.362 4.682 4.320 0.000 0.000 0.238 659 A C 1.210 178.777 177.584 -0.028 0.000 1.070 659 A CA 1.083 53.109 52.037 -0.017 0.000 0.770 659 A CB 0.567 19.558 19.000 -0.014 0.000 1.008 659 A HN 0.226 nan 8.150 nan 0.000 0.497 660 T N 0.496 115.037 114.554 -0.023 0.000 2.964 660 T HA 0.128 4.478 4.350 0.000 0.000 0.249 660 T C 0.528 175.215 174.700 -0.022 0.000 1.000 660 T CA 0.338 62.421 62.100 -0.029 0.000 0.992 660 T CB -0.171 68.684 68.868 -0.021 0.000 1.087 660 T HN 0.717 nan 8.240 nan 0.000 0.489 661 N N 1.032 119.726 118.700 -0.011 0.000 2.392 661 N HA 0.469 5.209 4.740 0.000 0.000 0.283 661 N C -1.479 174.038 175.510 0.012 0.000 1.003 661 N CA -0.273 52.778 53.050 0.001 0.000 0.892 661 N CB 1.554 40.039 38.487 -0.003 0.000 1.193 661 N HN -0.140 nan 8.380 nan 0.000 0.487 662 V N 5.683 125.619 119.914 0.038 0.000 2.340 662 V HA 0.471 4.591 4.120 0.000 0.000 0.277 662 V C -2.281 173.855 176.094 0.070 0.000 1.017 662 V CA -1.218 61.109 62.300 0.045 0.000 0.820 662 V CB 1.233 33.073 31.823 0.027 0.000 1.028 662 V HN 0.668 nan 8.190 nan 0.000 0.436 663 P HA 0.589 nan 4.420 nan 0.000 0.300 663 P C -0.791 176.499 177.300 -0.016 0.000 1.326 663 P CA -0.392 62.716 63.100 0.013 0.000 0.844 663 P CB 2.195 33.899 31.700 0.006 0.000 0.992 664 I N -0.775 119.767 120.570 -0.046 0.000 2.740 664 I HA 0.761 4.931 4.170 0.000 0.000 0.303 664 I C -0.916 175.196 176.117 -0.009 0.000 1.044 664 I CA -0.961 60.267 61.300 -0.119 0.000 1.064 664 I CB 2.546 40.280 38.000 -0.443 0.000 1.249 664 I HN 0.174 nan 8.210 nan 0.000 0.433 665 S N 5.459 121.192 115.700 0.054 0.000 2.614 665 S HA 0.640 5.110 4.470 0.000 0.000 0.288 665 S C -0.924 173.762 174.600 0.143 0.000 1.137 665 S CA -0.647 57.607 58.200 0.090 0.000 0.992 665 S CB 1.238 64.480 63.200 0.070 0.000 1.026 665 S HN 0.498 nan 8.310 nan 0.000 0.486 666 I N 6.721 127.391 120.570 0.167 0.000 2.330 666 I HA 0.386 4.556 4.170 0.000 0.000 0.289 666 I C -2.041 174.160 176.117 0.140 0.000 1.001 666 I CA -2.610 58.795 61.300 0.176 0.000 1.193 666 I CB 0.999 39.168 38.000 0.281 0.000 1.345 666 I HN 0.448 nan 8.210 nan 0.000 0.461 667 P HA -0.019 nan 4.420 nan 0.000 0.269 667 P C 0.186 177.523 177.300 0.061 0.000 1.209 667 P CA -0.092 63.043 63.100 0.059 0.000 0.776 667 P CB 0.665 32.380 31.700 0.024 0.000 0.876 668 S N 2.379 118.131 115.700 0.086 0.000 3.116 668 S HA -0.060 4.410 4.470 0.000 0.000 0.367 668 S C 0.469 175.085 174.600 0.028 0.000 1.202 668 S CA 0.350 58.617 58.200 0.111 0.000 1.018 668 S CB -0.585 62.653 63.200 0.064 0.000 0.726 668 S HN 0.728 nan 8.310 nan 0.000 0.506 669 R N 3.005 123.528 120.500 0.038 0.000 2.844 669 R HA 0.524 4.864 4.340 0.000 0.000 0.264 669 R C -1.200 174.977 176.300 -0.204 0.000 1.077 669 R CA -1.079 54.896 56.100 -0.208 0.000 0.953 669 R CB 0.296 30.269 30.300 -0.545 0.000 1.272 669 R HN 0.508 nan 8.270 nan 0.000 0.447 670 N N -0.559 117.940 118.700 -0.336 0.000 2.499 670 N HA 0.249 4.989 4.740 0.000 0.000 0.281 670 N C -1.015 174.250 175.510 -0.408 0.000 1.098 670 N CA -0.543 52.399 53.050 -0.180 0.000 0.979 670 N CB 0.645 39.069 38.487 -0.106 0.000 1.121 670 N HN 0.561 nan 8.380 nan 0.000 0.466 671 W N 2.334 123.659 121.300 0.041 0.000 2.862 671 W HA 0.488 5.148 4.660 0.000 0.000 0.376 671 W C 0.540 177.117 176.519 0.097 0.000 1.028 671 W CA -0.535 56.816 57.345 0.010 0.000 1.757 671 W CB -0.240 29.220 29.460 -0.000 0.000 1.128 671 W HN 0.499 nan 8.180 nan 0.000 0.566 672 A N 1.067 124.045 122.820 0.263 0.000 2.565 672 A HA 0.367 4.687 4.320 0.000 0.000 0.237 672 A C 1.569 179.274 177.584 0.202 0.000 1.053 672 A CA 1.265 53.433 52.037 0.218 0.000 0.755 672 A CB -0.084 19.003 19.000 0.146 0.000 0.980 672 A HN 1.181 nan 8.150 nan 0.000 0.506 673 A N 1.216 124.156 122.820 0.201 0.000 3.396 673 A HA -0.196 4.124 4.320 0.000 0.000 0.267 673 A C 0.390 178.174 177.584 0.334 0.000 1.139 673 A CA 0.940 53.122 52.037 0.242 0.000 1.115 673 A CB -2.596 16.516 19.000 0.187 0.000 1.133 673 A HN 2.039 nan 8.150 nan 0.000 0.920 674 F N 1.426 121.443 119.950 0.113 0.000 2.608 674 F HA 0.381 4.908 4.527 0.000 0.000 0.380 674 F C 1.307 177.097 175.800 -0.016 0.000 1.083 674 F CA 0.605 58.607 58.000 0.004 0.000 1.266 674 F CB 0.370 39.281 39.000 -0.149 0.000 1.076 674 F HN 0.256 nan 8.300 nan 0.000 0.574 675 R N 3.150 123.241 120.500 -0.683 0.000 2.189 675 R HA 0.413 4.753 4.340 0.000 0.000 0.203 675 R C 0.775 176.582 176.300 -0.821 0.000 1.012 675 R CA 0.313 56.063 56.100 -0.584 0.000 1.015 675 R CB 0.056 30.070 30.300 -0.475 0.000 0.938 675 R HN 0.916 nan 8.270 nan 0.000 0.472 676 G N -0.697 107.087 108.800 -1.693 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 -1.837 172.544 174.900 -0.865 0.000 1.312 676 G CA -0.976 43.398 45.100 -1.210 0.000 0.942 676 G HN 0.025 nan 8.290 nan 0.000 0.495 677 W N -0.045 121.163 121.300 -0.154 0.000 2.781 677 W HA 0.756 5.416 4.660 0.000 0.000 0.345 677 W C 0.119 176.595 176.519 -0.071 0.000 1.085 677 W CA -0.267 57.032 57.345 -0.077 0.000 1.198 677 W CB 2.435 31.901 29.460 0.010 0.000 1.423 677 W HN 1.286 nan 8.180 nan 0.000 0.532 678 A N 2.733 125.638 122.820 0.142 0.000 2.486 678 A HA 0.938 5.258 4.320 0.000 0.000 0.300 678 A C -1.656 175.913 177.584 -0.025 0.000 1.048 678 A CA -0.551 51.454 52.037 -0.054 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 -0.903 118.906 119.950 -0.235 0.000 2.719 679 F HA 0.878 5.405 4.527 0.000 0.000 0.309 679 F C -0.303 175.279 175.800 -0.364 0.000 1.138 679 F CA -0.383 57.426 58.000 -0.318 0.000 0.943 679 F CB 1.140 40.024 39.000 -0.193 0.000 1.304 679 F HN 0.712 nan 8.300 nan 0.000 0.445 680 T N -0.437 114.071 114.554 -0.076 0.000 2.626 680 T HA 0.606 4.956 4.350 0.000 0.000 0.299 680 T C -1.713 173.274 174.700 0.478 0.000 1.181 680 T CA -1.191 60.927 62.100 0.030 0.000 1.053 680 T CB 1.995 70.647 68.868 -0.361 0.000 1.566 680 T HN 0.949 nan 8.240 nan 0.000 0.486 681 R N 0.116 120.847 120.500 0.384 0.000 2.575 681 R HA 0.742 5.082 4.340 0.000 0.000 0.293 681 R C -1.767 174.615 176.300 0.137 0.000 0.983 681 R CA -0.683 55.554 56.100 0.229 0.000 0.887 681 R CB 1.009 31.314 30.300 0.008 0.000 1.184 681 R HN 0.614 nan 8.270 nan 0.000 0.445 682 L N 2.676 123.978 121.223 0.133 0.000 2.323 682 L HA 0.579 4.919 4.340 0.000 0.000 0.265 682 L C -0.338 176.552 176.870 0.035 0.000 1.012 682 L CA -1.172 53.734 54.840 0.110 0.000 0.820 682 L CB 2.213 44.381 42.059 0.183 0.000 1.334 682 L HN 0.462 nan 8.230 nan 0.000 0.427 683 K N 0.026 120.443 120.400 0.028 0.000 2.201 683 K HA 0.269 4.589 4.320 0.000 0.000 0.278 683 K C 0.536 177.128 176.600 -0.013 0.000 1.027 683 K CA -0.396 55.894 56.287 0.004 0.000 0.909 683 K CB 1.756 34.266 32.500 0.017 0.000 1.062 683 K HN 0.559 nan 8.250 nan 0.000 0.465 684 T N 2.349 116.892 114.554 -0.019 0.000 2.720 684 T HA -0.159 4.191 4.350 0.000 0.000 0.268 684 T C 1.337 176.026 174.700 -0.019 0.000 1.037 684 T CA 1.416 63.504 62.100 -0.021 0.000 1.144 684 T CB 0.001 68.856 68.868 -0.021 0.000 0.864 684 T HN 0.520 nan 8.240 nan 0.000 0.444 685 K N 0.917 121.284 120.400 -0.055 0.000 2.211 685 K HA -0.089 4.231 4.320 0.000 0.000 0.204 685 K C 1.798 178.260 176.600 -0.230 0.000 1.047 685 K CA 1.102 57.328 56.287 -0.101 0.000 0.935 685 K CB -0.042 32.378 32.500 -0.133 0.000 0.728 685 K HN 0.518 nan 8.250 nan 0.000 0.452 686 E N 0.137 120.170 120.200 -0.278 0.000 2.444 686 E HA 0.030 4.380 4.350 0.000 0.000 0.191 686 E C -0.525 176.130 176.600 0.092 0.000 1.041 686 E CA 0.143 56.315 56.400 -0.380 0.000 0.883 686 E CB 0.799 30.282 29.700 -0.362 0.000 1.024 686 E HN -0.007 nan 8.360 nan 0.000 0.470 687 T N 3.836 118.452 114.554 0.104 0.000 2.912 687 T HA 0.217 4.567 4.350 0.000 0.000 0.326 687 T C -2.419 172.235 174.700 -0.077 0.000 1.080 687 T CA -1.496 60.616 62.100 0.019 0.000 1.000 687 T CB 1.348 70.168 68.868 -0.079 0.000 1.008 687 T HN 0.006 nan 8.240 nan 0.000 0.473 688 P HA 0.118 nan 4.420 nan 0.000 0.269 688 P C -0.095 176.986 177.300 -0.365 0.000 1.215 688 P CA -0.283 62.416 63.100 -0.668 0.000 0.780 688 P CB 0.761 31.732 31.700 -1.215 0.000 0.898 689 S N 2.455 117.990 115.700 -0.274 0.000 2.455 689 S HA 0.284 4.754 4.470 0.000 0.000 0.278 689 S C 0.101 174.594 174.600 -0.178 0.000 1.216 689 S CA -0.612 57.477 58.200 -0.186 0.000 1.055 689 S CB -0.909 62.230 63.200 -0.101 0.000 0.939 689 S HN 0.262 nan 8.310 nan 0.000 0.494 690 L N 4.315 125.444 121.223 -0.156 0.000 2.365 690 L HA 0.700 5.040 4.340 0.000 0.000 0.267 690 L C 1.619 178.469 176.870 -0.034 0.000 1.033 690 L CA -0.128 54.665 54.840 -0.078 0.000 0.802 690 L CB 1.022 43.056 42.059 -0.043 0.000 1.267 690 L HN 0.925 nan 8.230 nan 0.000 0.457 691 G N 0.269 109.081 108.800 0.020 0.000 2.611 691 G HA2 -0.273 3.687 3.960 0.000 0.000 0.208 691 G HA3 -0.273 3.687 3.960 0.000 0.000 0.208 691 G C 0.212 175.118 174.900 0.011 0.000 1.201 691 G CA 0.090 45.200 45.100 0.016 0.000 0.739 691 G HN 0.760 nan 8.290 nan 0.000 0.528 692 S N 1.420 117.116 115.700 -0.006 0.000 2.565 692 S HA 0.555 5.025 4.470 0.000 0.000 0.274 692 S C 1.524 176.128 174.600 0.006 0.000 1.309 692 S CA 0.750 58.941 58.200 -0.015 0.000 1.043 692 S CB 1.593 64.770 63.200 -0.039 0.000 0.939 692 S HN 1.649 nan 8.310 nan 0.000 0.504 693 G N 0.416 109.214 108.800 -0.003 0.000 2.535 693 G HA2 0.025 3.985 3.960 0.000 0.000 0.218 693 G HA3 0.025 3.985 3.960 0.000 0.000 0.218 693 G C -0.152 174.648 174.900 -0.167 0.000 1.122 693 G CA 0.505 45.637 45.100 0.052 0.000 0.769 693 G HN 0.836 nan 8.290 nan 0.000 0.549 694 Y N -0.400 119.633 120.300 -0.445 0.000 2.390 694 Y HA 0.387 4.937 4.550 0.000 0.000 0.324 694 Y C -2.001 173.746 175.900 -0.256 0.000 1.151 694 Y CA -1.443 56.387 58.100 -0.450 0.000 1.053 694 Y CB 1.948 39.912 38.460 -0.827 0.000 1.277 694 Y HN -0.050 nan 8.280 nan 0.000 0.432 695 D N 8.364 128.388 120.400 -0.626 0.000 2.443 695 D HA 0.306 4.946 4.640 0.000 0.000 0.221 695 D C -1.765 174.190 176.300 -0.575 0.000 1.097 695 D CA -2.511 51.224 54.000 -0.442 0.000 0.865 695 D CB 1.763 42.382 40.800 -0.301 0.000 1.034 695 D HN 0.363 nan 8.370 nan 0.000 0.511 696 P HA -0.153 nan 4.420 nan 0.000 0.220 696 P C 0.560 177.634 177.300 -0.377 0.000 1.148 696 P CA 1.005 63.852 63.100 -0.422 0.000 0.803 696 P CB 0.003 31.384 31.700 -0.530 0.000 0.782 697 Y N -2.499 117.796 120.300 -0.008 0.000 2.493 697 Y HA 0.186 4.736 4.550 0.000 0.000 0.275 697 Y C 0.918 176.861 175.900 0.072 0.000 1.183 697 Y CA -0.801 57.313 58.100 0.023 0.000 1.258 697 Y CB -0.626 37.845 38.460 0.017 0.000 1.108 697 Y HN -0.096 nan 8.280 nan 0.000 0.521 698 Y N 2.390 122.677 120.300 -0.023 0.000 2.595 698 Y HA 0.164 4.714 4.550 0.000 0.000 0.347 698 Y C 0.505 176.418 175.900 0.021 0.000 1.025 698 Y CA -0.706 57.390 58.100 -0.007 0.000 1.295 698 Y CB 0.468 38.879 38.460 -0.083 0.000 1.147 698 Y HN 0.086 nan 8.280 nan 0.000 0.515 699 T N 2.732 117.193 114.554 -0.156 0.000 3.327 699 T HA 0.232 4.582 4.350 0.000 0.000 0.244 699 T C -1.110 173.493 174.700 -0.161 0.000 1.074 699 T CA -0.447 61.572 62.100 -0.135 0.000 1.156 699 T CB -0.595 68.254 68.868 -0.031 0.000 1.087 699 T HN 0.528 nan 8.240 nan 0.000 0.575 700 Y N 0.977 120.914 120.300 -0.604 0.000 2.513 700 Y HA 0.552 5.102 4.550 0.000 0.000 0.340 700 Y C -0.092 175.551 175.900 -0.428 0.000 1.055 700 Y CA -0.896 56.925 58.100 -0.467 0.000 1.020 700 Y CB 2.116 40.308 38.460 -0.447 0.000 1.301 700 Y HN 0.209 nan 8.280 nan 0.000 0.453 701 S N 1.908 117.074 115.700 -0.889 0.000 2.952 701 S HA 0.469 4.939 4.470 0.000 0.000 0.251 701 S C 0.388 174.601 174.600 -0.644 0.000 1.021 701 S CA -0.012 57.838 58.200 -0.584 0.000 1.067 701 S CB -0.001 63.034 63.200 -0.276 0.000 1.002 701 S HN 0.987 nan 8.310 nan 0.000 0.574 702 G N 2.120 110.117 108.800 -1.338 0.000 2.531 702 G HA2 0.496 4.456 3.960 0.000 0.000 0.253 702 G HA3 0.496 4.456 3.960 0.000 0.000 0.253 702 G C 0.098 174.975 174.900 -0.038 0.000 1.439 702 G CA -0.128 44.674 45.100 -0.496 0.000 1.056 702 G HN 0.724 nan 8.290 nan 0.000 0.555 703 S N -1.282 114.543 115.700 0.208 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 -0.386 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 3.262 123.966 120.570 0.223 0.000 2.503 704 I HA 0.276 4.446 4.170 0.000 0.000 0.277 704 I C -1.974 174.201 176.117 0.096 0.000 1.078 704 I CA -2.319 59.128 61.300 0.245 0.000 1.184 704 I CB 1.377 39.525 38.000 0.246 0.000 1.353 704 I HN 0.455 nan 8.210 nan 0.000 0.490 705 P HA -0.287 nan 4.420 nan 0.000 0.218 705 P C 1.570 178.713 177.300 -0.263 0.000 1.154 705 P CA 1.682 64.655 63.100 -0.211 0.000 0.872 705 P CB 0.027 31.749 31.700 0.036 0.000 0.790 706 Y N -0.208 120.084 120.300 -0.015 0.000 2.207 706 Y HA -0.195 4.355 4.550 0.000 0.000 0.287 706 Y C 1.843 177.753 175.900 0.017 0.000 1.156 706 Y CA 1.567 59.692 58.100 0.043 0.000 1.182 706 Y CB -0.565 37.846 38.460 -0.081 0.000 0.979 706 Y HN -0.126 nan 8.280 nan 0.000 0.521 707 L N -0.850 120.367 121.223 -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 -0.099 0.000 1.061 707 L CA 0.875 55.685 54.840 -0.050 0.000 0.834 707 L CB -0.257 41.857 42.059 0.091 0.000 1.029 707 L HN 0.173 nan 8.230 nan 0.000 0.473 708 D N -0.828 119.490 120.400 -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 -0.313 0.000 1.047 708 D CA 0.686 54.586 54.000 -0.165 0.000 0.854 708 D CB 0.407 41.144 40.800 -0.106 0.000 0.936 708 D HN 0.182 nan 8.370 nan 0.000 0.514 709 G N 0.461 108.920 108.800 -0.569 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 0.670 175.154 174.900 -0.693 0.000 0.981 709 G CA 0.524 45.136 45.100 -0.814 0.000 0.665 709 G HN 0.684 nan 8.290 nan 0.000 0.528 710 T N -0.458 113.692 114.554 -0.674 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 -0.548 61.138 62.100 -0.690 0.000 0.932 710 T CB -0.735 67.490 68.868 -1.073 0.000 1.259 710 T HN 0.300 nan 8.240 nan 0.000 0.676 711 F N 2.488 122.564 119.950 0.211 0.000 2.518 711 F HA 0.304 4.831 4.527 0.000 0.000 0.359 711 F C 1.066 177.148 175.800 0.470 0.000 1.118 711 F CA -0.677 57.482 58.000 0.265 0.000 1.287 711 F CB 0.439 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 -0.308 120.277 120.300 0.475 0.000 2.957 712 Y HA 0.435 4.986 4.550 0.000 0.000 0.274 712 Y C -0.406 175.724 175.900 0.383 0.000 1.065 712 Y CA -0.473 57.872 58.100 0.408 0.000 1.273 712 Y CB -0.861 37.833 38.460 0.389 0.000 1.358 712 Y HN 0.416 nan 8.280 nan 0.000 0.585 713 L N 0.930 122.135 121.223 -0.031 0.000 3.014 713 L HA 0.317 4.657 4.340 0.000 0.000 0.263 713 L C 0.976 177.832 176.870 -0.024 0.000 1.207 713 L CA -0.078 54.677 54.840 -0.142 0.000 1.017 713 L CB 0.109 41.992 42.059 -0.294 0.000 1.360 713 L HN 0.212 nan 8.230 nan 0.000 0.560 714 N N 0.605 119.417 118.700 0.186 0.000 2.364 714 N HA -0.176 4.564 4.740 0.000 0.000 0.183 714 N C 1.674 177.597 175.510 0.689 0.000 1.022 714 N CA 1.131 54.383 53.050 0.338 0.000 0.883 714 N CB -0.121 38.192 38.487 -0.290 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 0.305 0.000 2.559 715 H HA 0.075 4.631 4.556 0.000 0.000 0.273 715 H C 1.033 176.391 175.328 0.050 0.000 1.000 715 H CA 1.229 57.270 56.048 -0.012 0.000 1.195 715 H CB -0.626 28.906 29.762 -0.384 0.000 1.368 715 H HN 0.134 nan 8.280 nan 0.000 0.592 716 T N -2.427 111.964 114.554 -0.271 0.000 3.144 716 T HA 0.158 4.508 4.350 0.000 0.000 0.249 716 T C 0.119 174.711 174.700 -0.179 0.000 1.089 716 T CA -0.553 61.391 62.100 -0.262 0.000 0.989 716 T CB -0.737 67.885 68.868 -0.411 0.000 0.992 716 T HN 0.012 nan 8.240 nan 0.000 0.540 717 F N 1.421 121.426 119.950 0.091 0.000 2.394 717 F HA 0.596 5.123 4.527 0.000 0.000 0.340 717 F C 1.371 177.148 175.800 -0.038 0.000 1.105 717 F CA -1.140 56.907 58.000 0.077 0.000 1.124 717 F CB 1.812 40.922 39.000 0.184 0.000 1.145 717 F HN -0.103 nan 8.300 nan 0.000 0.505 718 K N 2.235 122.685 120.400 0.082 0.000 2.161 718 K HA 0.185 4.505 4.320 0.000 0.000 0.205 718 K C -0.508 176.035 176.600 -0.095 0.000 1.035 718 K CA 0.724 57.004 56.287 -0.012 0.000 0.970 718 K CB 0.369 32.856 32.500 -0.021 0.000 0.866 718 K HN 0.647 nan 8.250 nan 0.000 0.461 719 K N -1.306 119.041 120.400 -0.088 0.000 2.579 719 K HA 0.479 4.799 4.320 0.000 0.000 0.284 719 K C -1.571 174.901 176.600 -0.213 0.000 0.990 719 K CA -1.118 55.067 56.287 -0.170 0.000 0.880 719 K CB 2.138 34.559 32.500 -0.133 0.000 1.488 719 K HN -0.169 nan 8.250 nan 0.000 0.425 720 V N 0.106 119.851 119.914 -0.281 0.000 2.686 720 V HA 0.737 4.857 4.120 0.000 0.000 0.306 720 V C -1.024 174.893 176.094 -0.294 0.000 1.065 720 V CA -0.740 61.251 62.300 -0.515 0.000 0.894 720 V CB 1.522 32.870 31.823 -0.791 0.000 1.004 720 V HN 0.967 nan 8.190 nan 0.000 0.424 721 A N 5.723 128.327 122.820 -0.360 0.000 2.318 721 A HA 0.923 5.243 4.320 0.000 0.000 0.317 721 A C -0.831 176.601 177.584 -0.252 0.000 1.159 721 A CA -0.482 51.441 52.037 -0.190 0.000 0.799 721 A CB 0.763 19.674 19.000 -0.148 0.000 1.194 721 A HN 0.784 nan 8.150 nan 0.000 0.479 722 I N 2.045 122.544 120.570 -0.119 0.000 2.406 722 I HA 0.469 4.639 4.170 0.000 0.000 0.290 722 I C -0.464 175.628 176.117 -0.042 0.000 0.999 722 I CA -0.209 60.983 61.300 -0.180 0.000 1.124 722 I CB 2.416 40.314 38.000 -0.171 0.000 1.289 722 I HN 0.582 nan 8.210 nan 0.000 0.441 723 T N 5.606 120.068 114.554 -0.153 0.000 2.928 723 T HA 0.497 4.847 4.350 0.000 0.000 0.296 723 T C -0.662 173.950 174.700 -0.147 0.000 1.000 723 T CA -0.479 61.592 62.100 -0.048 0.000 0.989 723 T CB 0.965 69.824 68.868 -0.016 0.000 1.005 723 T HN 0.086 nan 8.240 nan 0.000 0.442 724 F N 2.175 122.175 119.950 0.084 0.000 2.399 724 F HA 0.352 4.879 4.527 0.000 0.000 0.334 724 F C 1.295 177.154 175.800 0.099 0.000 1.097 724 F CA -0.309 57.725 58.000 0.057 0.000 1.076 724 F CB 0.885 39.902 39.000 0.029 0.000 1.162 724 F HN 0.614 nan 8.300 nan 0.000 0.495 725 D N 2.299 122.883 120.400 0.307 0.000 2.702 725 D HA -0.260 4.380 4.640 0.000 0.000 0.233 725 D C 0.709 177.084 176.300 0.125 0.000 1.164 725 D CA 1.107 55.225 54.000 0.197 0.000 0.638 725 D CB -1.015 39.905 40.800 0.199 0.000 1.041 725 D HN 0.849 nan 8.370 nan 0.000 0.422 726 S N -2.370 113.388 115.700 0.096 0.000 3.491 726 S HA -0.280 4.190 4.470 0.000 0.000 0.371 726 S C 0.919 175.557 174.600 0.063 0.000 0.980 726 S CA 2.036 60.273 58.200 0.062 0.000 1.204 726 S CB -2.109 61.119 63.200 0.046 0.000 0.915 726 S HN 1.472 nan 8.310 nan 0.000 0.482 727 S N -3.222 112.528 115.700 0.084 0.000 1.773 727 S HA 0.170 4.640 4.470 0.000 0.000 0.203 727 S C -0.106 174.551 174.600 0.094 0.000 0.762 727 S CA 0.285 58.529 58.200 0.074 0.000 1.503 727 S CB -0.115 63.124 63.200 0.065 0.000 0.926 727 S HN 1.076 nan 8.310 nan 0.000 0.380 728 V N 3.567 123.567 119.914 0.144 0.000 2.368 728 V HA 0.641 4.761 4.120 0.000 0.000 0.266 728 V C 0.427 176.661 176.094 0.232 0.000 1.045 728 V CA -0.152 62.253 62.300 0.176 0.000 0.899 728 V CB 0.920 32.866 31.823 0.206 0.000 1.006 728 V HN 0.551 nan 8.190 nan 0.000 0.470 729 S N 5.160 120.965 115.700 0.175 0.000 2.548 729 S HA 0.414 4.884 4.470 0.000 0.000 0.277 729 S C -0.895 173.884 174.600 0.298 0.000 1.315 729 S CA -0.424 57.889 58.200 0.188 0.000 1.050 729 S CB 0.355 63.605 63.200 0.083 0.000 0.918 729 S HN 0.663 nan 8.310 nan 0.000 0.497 730 W N 6.471 127.905 121.300 0.224 0.000 2.702 730 W HA 0.517 5.177 4.660 0.000 0.000 0.331 730 W C -1.967 174.751 176.519 0.332 0.000 1.049 730 W CA -2.145 55.405 57.345 0.341 0.000 1.230 730 W CB 1.653 31.485 29.460 0.619 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 0.914 177.933 177.300 -0.468 0.000 1.191 731 P CA 1.424 63.735 63.100 -1.315 0.000 0.771 731 P CB 0.319 31.239 31.700 -1.299 0.000 0.929 732 G N 1.894 110.559 108.800 -0.226 0.000 2.581 732 G HA2 -0.365 3.595 3.960 0.000 0.000 0.291 732 G HA3 -0.365 3.595 3.960 0.000 0.000 0.291 732 G C 0.380 175.197 174.900 -0.138 0.000 1.277 732 G CA 0.340 45.371 45.100 -0.115 0.000 0.959 732 G HN 0.326 nan 8.290 nan 0.000 0.554 733 N N 0.128 118.775 118.700 -0.087 0.000 2.681 733 N HA -0.211 4.529 4.740 0.000 0.000 0.250 733 N C 0.636 176.101 175.510 -0.076 0.000 1.133 733 N CA 2.508 55.509 53.050 -0.081 0.000 0.732 733 N CB -0.870 37.555 38.487 -0.103 0.000 1.107 733 N HN 1.569 nan 8.380 nan 0.000 0.559 734 D N -1.397 118.959 120.400 -0.072 0.000 2.751 734 D HA -0.223 4.417 4.640 0.000 0.000 0.233 734 D C 1.158 177.424 176.300 -0.056 0.000 1.149 734 D CA 1.160 55.126 54.000 -0.058 0.000 0.682 734 D CB -0.177 40.600 40.800 -0.037 0.000 1.068 734 D HN 0.396 nan 8.370 nan 0.000 0.429 735 R N -0.526 119.925 120.500 -0.082 0.000 2.062 735 R HA 0.120 4.460 4.340 0.000 0.000 0.226 735 R C 1.102 177.390 176.300 -0.019 0.000 1.125 735 R CA 0.572 56.639 56.100 -0.055 0.000 0.966 735 R CB -0.083 30.164 30.300 -0.088 0.000 0.861 735 R HN 0.329 nan 8.270 nan 0.000 0.433 736 L N 1.256 122.436 121.223 -0.071 0.000 2.421 736 L HA 0.166 4.506 4.340 0.000 0.000 0.263 736 L C 1.935 178.799 176.870 -0.009 0.000 1.122 736 L CA -0.433 54.371 54.840 -0.059 0.000 0.804 736 L CB 0.601 42.539 42.059 -0.202 0.000 1.150 736 L HN 0.003 nan 8.230 nan 0.000 0.457 737 L N 0.597 121.865 121.223 0.075 0.000 2.127 737 L HA -0.124 4.216 4.340 0.000 0.000 0.211 737 L C 1.101 178.003 176.870 0.054 0.000 1.089 737 L CA 1.369 56.321 54.840 0.187 0.000 0.757 737 L CB -0.572 41.844 42.059 0.595 0.000 0.899 737 L HN 0.800 nan 8.230 nan 0.000 0.434 738 T N -4.073 110.437 114.554 -0.073 0.000 3.250 738 T HA 0.271 4.621 4.350 0.000 0.000 0.391 738 T C -1.527 173.086 174.700 -0.145 0.000 1.502 738 T CA -1.877 60.140 62.100 -0.139 0.000 1.320 738 T CB 0.914 69.651 68.868 -0.218 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 0.839 178.052 177.300 -0.146 0.000 1.150 739 P CA 1.209 64.232 63.100 -0.128 0.000 0.841 739 P CB 0.164 31.817 31.700 -0.079 0.000 0.784 740 N N 0.149 118.778 118.700 -0.118 0.000 2.398 740 N HA 0.004 4.744 4.740 0.000 0.000 0.188 740 N C 0.796 176.245 175.510 -0.102 0.000 1.122 740 N CA 0.559 53.554 53.050 -0.092 0.000 0.866 740 N CB 0.347 38.795 38.487 -0.064 0.000 0.970 740 N HN 0.568 nan 8.380 nan 0.000 0.462 741 E N -1.053 119.050 120.200 -0.162 0.000 2.422 741 E HA 0.183 4.533 4.350 0.000 0.000 0.280 741 E C -1.617 174.855 176.600 -0.213 0.000 1.091 741 E CA -0.723 55.602 56.400 -0.125 0.000 0.849 741 E CB 0.269 29.912 29.700 -0.095 0.000 1.353 741 E HN -0.240 nan 8.360 nan 0.000 0.449 742 F N 1.357 121.231 119.950 -0.127 0.000 2.350 742 F HA 0.280 4.807 4.527 0.000 0.000 0.365 742 F C 0.279 175.955 175.800 -0.206 0.000 1.122 742 F CA -0.386 57.556 58.000 -0.097 0.000 1.139 742 F CB 1.223 40.205 39.000 -0.030 0.000 1.220 742 F HN 0.217 nan 8.300 nan 0.000 0.499 743 E N 4.667 124.833 120.200 -0.057 0.000 2.130 743 E HA 0.213 4.563 4.350 0.000 0.000 0.284 743 E C 0.779 177.249 176.600 -0.217 0.000 1.018 743 E CA -0.131 56.185 56.400 -0.140 0.000 0.817 743 E CB 1.511 31.134 29.700 -0.129 0.000 1.078 743 E HN 0.688 nan 8.360 nan 0.000 0.396 744 I N 2.841 123.140 120.570 -0.450 0.000 2.333 744 I HA -0.142 4.028 4.170 0.000 0.000 0.246 744 I C 0.840 176.796 176.117 -0.269 0.000 1.106 744 I CA 1.089 61.904 61.300 -0.809 0.000 1.411 744 I CB 0.064 37.392 38.000 -1.121 0.000 1.082 744 I HN 0.408 nan 8.210 nan 0.000 0.420 745 K N 0.451 120.799 120.400 -0.087 0.000 2.532 745 K HA 0.662 4.982 4.320 0.000 0.000 0.265 745 K C -0.980 175.647 176.600 0.046 0.000 0.948 745 K CA -0.905 55.429 56.287 0.078 0.000 0.842 745 K CB 2.106 34.742 32.500 0.227 0.000 1.392 745 K HN -0.156 nan 8.250 nan 0.000 0.436 746 R N 0.504 121.050 120.500 0.077 0.000 2.740 746 R HA 0.368 4.708 4.340 0.000 0.000 0.282 746 R C -0.987 175.356 176.300 0.071 0.000 0.969 746 R CA -1.099 55.030 56.100 0.048 0.000 0.918 746 R CB 2.312 32.634 30.300 0.037 0.000 1.175 746 R HN 0.884 nan 8.270 nan 0.000 0.464 747 S N 1.162 116.892 115.700 0.050 0.000 2.423 747 S HA 0.140 4.610 4.470 0.000 0.000 0.317 747 S C 1.174 175.803 174.600 0.049 0.000 1.065 747 S CA -0.182 58.051 58.200 0.055 0.000 1.111 747 S CB 1.195 64.420 63.200 0.042 0.000 0.968 747 S HN 0.817 nan 8.310 nan 0.000 0.474 748 V N 1.763 121.713 119.914 0.060 0.000 0.575 748 V HA -0.487 3.633 4.120 0.000 0.000 0.092 748 V C 1.505 177.627 176.094 0.047 0.000 1.949 748 V CA 3.084 65.415 62.300 0.052 0.000 3.444 748 V CB -1.989 29.858 31.823 0.040 0.000 0.743 748 V HN 0.835 nan 8.190 nan 0.000 0.767 749 D N 1.623 122.044 120.400 0.036 0.000 2.203 749 D HA -0.024 4.616 4.640 0.000 0.000 0.199 749 D C 1.551 177.877 176.300 0.043 0.000 0.997 749 D CA 2.147 56.165 54.000 0.031 0.000 0.863 749 D CB -0.607 40.204 40.800 0.018 0.000 0.928 749 D HN 1.007 nan 8.370 nan 0.000 0.458 750 G N -0.008 108.824 108.800 0.053 0.000 4.547 750 G HA2 0.050 4.010 3.960 0.000 0.000 0.301 750 G HA3 0.050 4.010 3.960 0.000 0.000 0.301 750 G C 0.911 175.890 174.900 0.131 0.000 1.240 750 G CA -0.367 44.784 45.100 0.084 0.000 0.970 750 G HN -0.048 nan 8.290 nan 0.000 0.574 751 E N 0.729 120.991 120.200 0.104 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 0.106 0.000 0.991 751 E CA 1.181 57.641 56.400 0.100 0.000 0.810 751 E CB 0.002 29.744 29.700 0.071 0.000 0.742 751 E HN 0.452 nan 8.360 nan 0.000 0.466 752 G N -0.079 108.784 108.800 0.105 0.000 2.442 752 G HA2 -0.272 3.688 3.960 0.000 0.000 0.219 752 G HA3 -0.272 3.688 3.960 0.000 0.000 0.219 752 G C 1.387 176.315 174.900 0.046 0.000 1.141 752 G CA 0.595 45.730 45.100 0.057 0.000 0.763 752 G HN 0.268 nan 8.290 nan 0.000 0.554 753 Y N 1.438 121.757 120.300 0.032 0.000 2.224 753 Y HA -0.026 4.524 4.550 0.000 0.000 0.289 753 Y C 1.561 177.486 175.900 0.042 0.000 1.146 753 Y CA 0.683 58.804 58.100 0.036 0.000 1.182 753 Y CB -0.062 38.418 38.460 0.033 0.000 0.983 753 Y HN 0.108 nan 8.280 nan 0.000 0.524 754 N N 1.028 119.846 118.700 0.196 0.000 2.454 754 N HA 0.124 4.864 4.740 0.000 0.000 0.254 754 N C -0.122 175.428 175.510 0.067 0.000 1.228 754 N CA 0.547 53.678 53.050 0.134 0.000 0.900 754 N CB 1.395 39.960 38.487 0.129 0.000 1.089 754 N HN 0.031 nan 8.380 nan 0.000 0.449 755 V N -2.209 117.718 119.914 0.021 0.000 3.182 755 V HA 0.778 4.898 4.120 0.000 0.000 0.311 755 V C 0.979 177.005 176.094 -0.113 0.000 1.221 755 V CA -0.617 61.636 62.300 -0.078 0.000 1.060 755 V CB 0.658 32.361 31.823 -0.201 0.000 1.164 755 V HN 0.766 nan 8.190 nan 0.000 0.466 756 A N -0.694 122.002 122.820 -0.208 0.000 2.799 756 A HA -0.293 4.027 4.320 0.000 0.000 0.274 756 A C 0.997 178.566 177.584 -0.025 0.000 1.393 756 A CA 1.817 53.761 52.037 -0.155 0.000 0.909 756 A CB -2.462 16.421 19.000 -0.193 0.000 1.012 756 A HN 1.646 nan 8.150 nan 0.000 0.653 757 Q N -4.235 115.562 119.800 -0.005 0.000 2.487 757 Q HA -0.259 4.081 4.340 0.000 0.000 0.279 757 Q C 0.298 176.337 176.000 0.064 0.000 1.228 757 Q CA 1.111 56.930 55.803 0.027 0.000 0.873 757 Q CB -2.720 26.026 28.738 0.015 0.000 1.260 757 Q HN 2.149 nan 8.270 nan 0.000 0.471 758 C N -2.727 116.634 119.300 0.102 0.000 3.292 758 C HA 0.563 5.023 4.460 0.000 0.000 0.369 758 C C 1.257 176.368 174.990 0.202 0.000 1.664 758 C CA -0.265 58.855 59.018 0.172 0.000 1.204 758 C CB 0.827 28.696 27.740 0.214 0.000 1.978 758 C HN 0.474 nan 8.230 nan 0.000 0.435 759 N N 0.647 119.517 118.700 0.282 0.000 2.449 759 N HA 0.029 4.769 4.740 0.000 0.000 0.191 759 N C 0.227 175.903 175.510 0.276 0.000 1.161 759 N CA 0.067 53.274 53.050 0.261 0.000 0.863 759 N CB -0.277 38.366 38.487 0.260 0.000 0.980 759 N HN 0.894 nan 8.380 nan 0.000 0.458 760 M N 1.737 121.501 119.600 0.274 0.000 2.242 760 M HA 0.074 4.554 4.480 0.000 0.000 0.344 760 M C 0.155 176.552 176.300 0.163 0.000 1.140 760 M CA -0.267 55.152 55.300 0.198 0.000 1.160 760 M CB 0.858 33.517 32.600 0.099 0.000 1.491 760 M HN 0.205 nan 8.290 nan 0.000 0.459 761 T N 1.169 115.826 114.554 0.171 0.000 2.899 761 T HA 0.313 4.663 4.350 0.000 0.000 0.284 761 T C 0.739 175.567 174.700 0.212 0.000 1.004 761 T CA -0.678 61.535 62.100 0.189 0.000 1.043 761 T CB 1.130 70.093 68.868 0.158 0.000 1.013 761 T HN 0.798 nan 8.240 nan 0.000 0.518 762 K N 0.485 121.020 120.400 0.226 0.000 2.057 762 K HA -0.120 4.200 4.320 0.000 0.000 0.207 762 K C 1.824 178.558 176.600 0.223 0.000 1.049 762 K CA 1.580 57.992 56.287 0.208 0.000 0.931 762 K CB -0.194 32.413 32.500 0.178 0.000 0.714 762 K HN 0.600 nan 8.250 nan 0.000 0.440 763 D N 0.226 120.755 120.400 0.215 0.000 2.106 763 D HA -0.231 4.409 4.640 0.000 0.000 0.191 763 D C 1.487 177.861 176.300 0.124 0.000 0.997 763 D CA 0.923 55.011 54.000 0.147 0.000 0.834 763 D CB -0.284 40.582 40.800 0.110 0.000 0.956 763 D HN 0.373 nan 8.370 nan 0.000 0.448 764 W N 0.326 121.590 121.300 -0.060 0.000 2.388 764 W HA -0.213 4.447 4.660 0.000 0.000 0.294 764 W C 2.041 178.418 176.519 -0.237 0.000 1.212 764 W CA 0.375 57.617 57.345 -0.171 0.000 1.271 764 W CB -0.410 28.921 29.460 -0.215 0.000 1.126 764 W HN -0.089 nan 8.180 nan 0.000 0.535 765 F N 1.243 121.071 119.950 -0.203 0.000 2.171 765 F HA -0.231 4.296 4.527 0.000 0.000 0.300 765 F C 2.245 177.845 175.800 -0.333 0.000 1.090 765 F CA 1.764 59.550 58.000 -0.357 0.000 1.293 765 F CB -0.983 37.844 39.000 -0.288 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 -0.154 0.000 2.027 766 L HA -0.118 4.222 4.340 0.000 0.000 0.206 766 L C 2.169 178.835 176.870 -0.340 0.000 1.074 766 L CA 1.697 56.486 54.840 -0.085 0.000 0.745 766 L CB -1.011 41.098 42.059 0.083 0.000 0.898 766 L HN 0.028 nan 8.230 nan 0.000 0.433 767 V N -0.308 119.322 119.914 -0.475 0.000 2.358 767 V HA -0.248 3.872 4.120 0.000 0.000 0.246 767 V C 2.676 178.316 176.094 -0.756 0.000 1.047 767 V CA 1.640 63.539 62.300 -0.668 0.000 1.035 767 V CB -0.800 30.541 31.823 -0.803 0.000 0.658 767 V HN 0.503 nan 8.190 nan 0.000 0.452 768 Q N -0.993 118.186 119.800 -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 56.398 55.803 -1.099 0.000 0.847 768 Q CB -0.418 27.252 28.738 -1.780 0.000 0.903 768 Q HN 0.463 nan 8.270 nan 0.000 0.433 769 M N -0.015 119.212 119.600 -0.622 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 1.079 56.218 55.300 -0.268 0.000 1.119 769 M CB -0.871 31.538 32.600 -0.318 0.000 1.377 769 M HN 0.160 nan 8.290 nan 0.000 0.415 770 L N -0.409 120.658 121.223 -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 1.157 55.891 54.840 -0.177 0.000 0.745 770 L CB -0.903 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 -2.401 116.018 118.700 -0.468 0.000 2.336 772 N HA 0.056 4.796 4.740 0.000 0.000 0.177 772 N C 0.557 175.557 175.510 -0.851 0.000 1.018 772 N CA 1.346 53.929 53.050 -0.778 0.000 0.878 772 N CB -0.002 37.722 38.487 -1.272 0.000 0.997 772 N HN 0.623 nan 8.380 nan 0.000 0.433 773 Y N -1.418 118.827 120.300 -0.092 0.000 2.610 773 Y HA 0.397 4.947 4.550 0.000 0.000 0.254 773 Y C -0.086 175.765 175.900 -0.083 0.000 1.110 773 Y CA -0.747 57.297 58.100 -0.093 0.000 1.238 773 Y CB -0.478 37.901 38.460 -0.135 0.000 1.322 773 Y HN -0.104 nan 8.280 nan 0.000 0.547 774 N N 0.672 119.380 118.700 0.013 0.000 2.782 774 N HA -0.190 4.550 4.740 0.000 0.000 0.251 774 N C -0.717 174.789 175.510 -0.007 0.000 1.101 774 N CA 0.339 53.399 53.050 0.016 0.000 0.764 774 N CB -1.003 37.516 38.487 0.053 0.000 1.122 774 N HN 0.261 nan 8.380 nan 0.000 0.561 775 I N -0.200 120.338 120.570 -0.053 0.000 2.353 775 I HA 0.416 4.586 4.170 0.000 0.000 0.293 775 I C 1.395 177.369 176.117 -0.238 0.000 0.992 775 I CA 0.366 61.566 61.300 -0.167 0.000 1.268 775 I CB 1.585 39.401 38.000 -0.308 0.000 1.387 775 I HN 0.271 nan 8.210 nan 0.000 0.478 776 G N 3.945 112.521 108.800 -0.373 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 -0.248 44.462 45.100 -0.650 0.000 0.884 776 G HN 0.462 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 0.382 4.932 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 1.090 59.111 58.100 -0.131 0.000 1.299 777 Y CB 0.528 38.949 38.460 -0.065 0.000 1.030 777 Y HN 0.250 nan 8.280 nan 0.000 0.543 778 Q N -0.056 119.750 119.800 0.011 0.000 2.333 778 Q HA 0.437 4.777 4.340 0.000 0.000 0.365 778 Q C -0.077 175.941 176.000 0.029 0.000 0.882 778 Q CA -0.113 55.709 55.803 0.032 0.000 1.124 778 Q CB 1.063 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 0.510 109.245 108.800 -0.108 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 -1.203 173.613 174.900 -0.139 0.000 1.215 779 G CA -1.053 44.009 45.100 -0.064 0.000 0.777 779 G HN 0.131 nan 8.290 nan 0.000 0.638 780 F N 1.427 121.438 119.950 0.102 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 0.056 0.000 1.113 780 F CA -0.431 57.562 58.000 -0.012 0.000 1.022 780 F CB 1.591 40.675 39.000 0.140 0.000 1.128 780 F HN 0.736 nan 8.300 nan 0.000 0.466 781 Y N 0.098 120.492 120.300 0.157 0.000 2.656 781 Y HA 0.618 5.168 4.550 0.000 0.000 0.334 781 Y C -1.041 174.735 175.900 -0.207 0.000 1.179 781 Y CA -2.097 56.001 58.100 -0.003 0.000 1.050 781 Y CB 0.477 38.919 38.460 -0.030 0.000 1.308 781 Y HN 0.341 nan 8.280 nan 0.000 0.456 782 I N 4.767 125.254 120.570 -0.138 0.000 2.668 782 I HA 0.126 4.295 4.170 0.000 0.000 0.285 782 I C -1.908 173.967 176.117 -0.403 0.000 1.168 782 I CA -1.431 59.544 61.300 -0.542 0.000 1.424 782 I CB 0.503 38.313 38.000 -0.318 0.000 1.377 782 I HN 0.416 nan 8.210 nan 0.000 0.560 783 P HA 0.106 nan 4.420 nan 0.000 0.272 783 P C -0.705 176.362 177.300 -0.389 0.000 1.230 783 P CA -0.401 62.330 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 0.349 120.360 120.200 -0.314 0.000 2.414 784 E HA 0.027 4.377 4.350 0.000 0.000 0.263 784 E C 1.335 177.738 176.600 -0.329 0.000 1.000 784 E CA -0.010 56.218 56.400 -0.287 0.000 0.914 784 E CB 0.160 29.631 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 -0.015 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 1.149 121.460 120.300 0.019 0.000 2.497 786 Y HA 0.161 4.711 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 0.595 58.714 58.100 0.030 0.000 1.285 786 Y CB -0.444 38.030 38.460 0.022 0.000 0.991 786 Y HN 0.087 nan 8.280 nan 0.000 0.556 787 K N -0.347 119.828 120.400 -0.376 0.000 2.352 787 K HA 0.006 4.326 4.320 0.000 0.000 0.194 787 K C -0.138 176.535 176.600 0.121 0.000 1.038 787 K CA 0.540 56.753 56.287 -0.124 0.000 1.023 787 K CB 0.257 32.633 32.500 -0.207 0.000 0.840 787 K HN 0.117 nan 8.250 nan 0.000 0.519 788 D N 2.125 122.551 120.400 0.044 0.000 2.638 788 D HA 0.046 4.686 4.640 0.000 0.000 0.245 788 D C -0.052 176.318 176.300 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 1.104 121.679 120.500 0.125 0.000 2.954 789 R HA 0.118 4.458 4.340 0.000 0.000 0.276 789 R C 1.543 177.850 176.300 0.012 0.000 1.218 789 R CA -0.498 55.639 56.100 0.063 0.000 1.149 789 R CB -0.329 30.017 30.300 0.078 0.000 1.112 789 R HN 0.342 nan 8.270 nan 0.000 0.577 790 M N 0.066 119.602 119.600 -0.108 0.000 2.159 790 M HA -0.127 4.353 4.480 0.000 0.000 0.263 790 M C 0.423 176.557 176.300 -0.278 0.000 1.063 790 M CA 1.850 56.986 55.300 -0.273 0.000 1.110 790 M CB 0.115 32.404 32.600 -0.518 0.000 1.374 790 M HN 0.419 nan 8.290 nan 0.000 0.411 791 Y N -0.165 120.173 120.300 0.065 0.000 2.571 791 Y HA 0.335 4.885 4.550 0.000 0.000 0.275 791 Y C 0.737 176.687 175.900 0.083 0.000 1.179 791 Y CA -0.576 57.571 58.100 0.080 0.000 1.242 791 Y CB -0.358 38.147 38.460 0.074 0.000 1.126 791 Y HN 0.017 nan 8.280 nan 0.000 0.524 792 S N 0.210 116.028 115.700 0.197 0.000 2.632 792 S HA 0.063 4.533 4.470 0.000 0.000 0.267 792 S C 0.951 175.697 174.600 0.242 0.000 1.276 792 S CA -0.665 57.657 58.200 0.202 0.000 0.998 792 S CB 0.615 63.970 63.200 0.260 0.000 0.953 792 S HN 0.374 nan 8.310 nan 0.000 0.547 793 F N 1.610 121.629 119.950 0.116 0.000 2.031 793 F HA -0.079 4.448 4.527 0.000 0.000 0.295 793 F C 1.828 177.783 175.800 0.257 0.000 1.133 793 F CA 1.374 59.452 58.000 0.131 0.000 1.188 793 F CB -0.771 38.245 39.000 0.026 0.000 0.974 793 F HN 0.647 nan 8.300 nan 0.000 0.473 794 F N 1.416 121.210 119.950 -0.260 0.000 2.065 794 F HA -0.233 4.294 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 2.317 60.107 58.000 -0.351 0.000 1.212 794 F CB -0.669 38.238 39.000 -0.154 0.000 0.975 794 F HN 0.019 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 1.315 177.569 176.300 -0.076 0.000 1.155 795 R CA 2.218 58.326 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 -0.790 117.882 118.700 -0.046 0.000 2.205 796 N HA -0.029 4.711 4.740 0.000 0.000 0.201 796 N C -0.769 174.764 175.510 0.037 0.000 1.128 796 N CA -0.086 52.974 53.050 0.017 0.000 0.867 796 N CB 0.264 38.818 38.487 0.113 0.000 0.996 796 N HN 0.079 nan 8.380 nan 0.000 0.503 797 F N 3.087 122.843 119.950 -0.324 0.000 2.471 797 F HA 0.176 4.703 4.527 0.000 0.000 0.365 797 F C -0.033 175.650 175.800 -0.196 0.000 1.095 797 F CA -0.252 57.574 58.000 -0.291 0.000 1.174 797 F CB 0.531 39.129 39.000 -0.670 0.000 1.105 797 F HN -0.171 nan 8.300 nan 0.000 0.535 798 Q N 8.917 128.468 119.800 -0.415 0.000 2.674 798 Q HA 0.279 4.619 4.340 0.000 0.000 0.249 798 Q C -2.642 173.106 176.000 -0.419 0.000 1.011 798 Q CA -1.933 53.623 55.803 -0.413 0.000 0.734 798 Q CB 1.445 30.086 28.738 -0.162 0.000 1.201 798 Q HN 0.450 nan 8.270 nan 0.000 0.498 799 P HA 0.269 nan 4.420 nan 0.000 0.275 799 P C -0.517 176.715 177.300 -0.112 0.000 1.227 799 P CA -0.107 62.801 63.100 -0.320 0.000 0.781 799 P CB 1.073 32.545 31.700 -0.381 0.000 0.906 800 M N 1.127 120.738 119.600 0.018 0.000 2.531 800 M HA 0.439 4.919 4.480 0.000 0.000 0.286 800 M C -0.461 176.043 176.300 0.339 0.000 1.232 800 M CA -0.363 55.014 55.300 0.128 0.000 0.877 800 M CB 2.714 35.324 32.600 0.017 0.000 1.726 800 M HN 0.195 nan 8.290 nan 0.000 0.463 801 S N 0.531 116.477 115.700 0.410 0.000 2.579 801 S HA 0.875 5.345 4.470 0.000 0.000 0.272 801 S C -1.474 173.176 174.600 0.083 0.000 1.141 801 S CA -0.954 57.428 58.200 0.303 0.000 0.843 801 S CB 2.733 66.011 63.200 0.129 0.000 1.122 801 S HN 0.792 nan 8.310 nan 0.000 0.468 802 R N 0.608 120.950 120.500 -0.263 0.000 2.728 802 R HA 0.695 5.035 4.340 0.000 0.000 0.274 802 R C -2.119 173.965 176.300 -0.361 0.000 1.030 802 R CA -0.956 54.877 56.100 -0.445 0.000 0.876 802 R CB 0.738 30.424 30.300 -1.023 0.000 1.259 802 R HN 0.417 nan 8.270 nan 0.000 0.468 803 Q N 0.219 119.849 119.800 -0.283 0.000 2.351 803 Q HA 0.714 5.054 4.340 0.000 0.000 0.273 803 Q C -1.179 174.695 176.000 -0.211 0.000 1.077 803 Q CA -0.680 54.999 55.803 -0.205 0.000 0.843 803 Q CB 2.896 31.552 28.738 -0.137 0.000 1.367 803 Q HN 0.610 nan 8.270 nan 0.000 0.449 804 V N -2.231 117.584 119.914 -0.165 0.000 3.120 804 V HA 0.697 4.817 4.120 0.000 0.000 0.303 804 V C -0.364 175.659 176.094 -0.118 0.000 1.238 804 V CA -1.413 60.812 62.300 -0.126 0.000 1.008 804 V CB 1.223 32.979 31.823 -0.112 0.000 1.064 804 V HN 0.650 nan 8.190 nan 0.000 0.434 805 V N -0.438 119.415 119.914 -0.102 0.000 2.720 805 V HA 0.193 4.313 4.120 0.000 0.000 0.307 805 V C 0.393 176.377 176.094 -0.184 0.000 1.071 805 V CA 0.443 62.634 62.300 -0.180 0.000 1.199 805 V CB 0.264 31.971 31.823 -0.193 0.000 0.900 805 V HN 1.055 nan 8.190 nan 0.000 0.494 806 D N 4.318 124.607 120.400 -0.186 0.000 2.374 806 D HA 0.043 4.683 4.640 0.000 0.000 0.240 806 D C 1.101 177.255 176.300 -0.243 0.000 1.229 806 D CA -0.067 53.834 54.000 -0.164 0.000 0.895 806 D CB 0.968 41.708 40.800 -0.100 0.000 1.046 806 D HN 0.863 nan 8.370 nan 0.000 0.498 807 D N 1.566 121.712 120.400 -0.423 0.000 2.384 807 D HA -0.159 4.481 4.640 0.000 0.000 0.222 807 D C 1.168 177.238 176.300 -0.383 0.000 0.976 807 D CA 0.630 54.142 54.000 -0.812 0.000 0.915 807 D CB -0.071 40.144 40.800 -0.977 0.000 0.896 807 D HN 0.415 nan 8.370 nan 0.000 0.523 808 T N -3.527 110.913 114.554 -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 -0.405 61.641 62.100 -0.090 0.000 0.921 808 T CB 0.356 69.184 68.868 -0.066 0.000 1.053 808 T HN 0.022 nan 8.240 nan 0.000 0.533 809 K N -0.494 119.886 120.400 -0.032 0.000 2.502 809 K HA 0.222 4.542 4.320 0.000 0.000 0.211 809 K C -0.652 175.983 176.600 0.059 0.000 1.259 809 K CA -0.401 55.888 56.287 0.004 0.000 0.983 809 K CB 0.709 33.207 32.500 -0.003 0.000 1.054 809 K HN 0.300 nan 8.250 nan 0.000 0.572 810 Y N 3.432 123.681 120.300 -0.085 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 0.268 38.653 38.460 -0.125 0.000 1.136 810 Y HN -0.102 nan 8.280 nan 0.000 0.523 811 K N 2.295 122.522 120.400 -0.288 0.000 2.077 811 K HA -0.223 4.097 4.320 0.000 0.000 0.213 811 K C 0.578 176.932 176.600 -0.409 0.000 1.051 811 K CA 2.156 58.270 56.287 -0.288 0.000 0.929 811 K CB 0.076 32.455 32.500 -0.202 0.000 0.715 811 K HN 0.689 nan 8.250 nan 0.000 0.451 812 D N -0.232 119.666 120.400 -0.837 0.000 2.319 812 D HA -0.060 4.580 4.640 0.000 0.000 0.230 812 D C -0.041 176.052 176.300 -0.346 0.000 1.094 812 D CA 0.025 53.691 54.000 -0.556 0.000 0.856 812 D CB -0.320 40.213 40.800 -0.445 0.000 0.915 812 D HN 0.139 nan 8.370 nan 0.000 0.517 813 Y N 2.352 122.404 120.300 -0.413 0.000 2.811 813 Y HA -0.059 4.491 4.550 0.000 0.000 0.334 813 Y C 0.095 176.055 175.900 0.100 0.000 1.247 813 Y CA 0.524 58.625 58.100 0.001 0.000 1.526 813 Y CB 0.356 38.843 38.460 0.046 0.000 1.284 813 Y HN -0.154 nan 8.280 nan 0.000 0.586 814 Q N 5.789 125.224 119.800 -0.608 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 54.827 55.803 -0.452 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 2.407 121.917 119.800 -0.484 0.000 2.323 815 Q HA 0.417 4.757 4.340 0.000 0.000 0.257 815 Q C -1.058 174.911 176.000 -0.052 0.000 1.022 815 Q CA -0.162 55.538 55.803 -0.171 0.000 0.919 815 Q CB 0.664 29.448 28.738 0.078 0.000 1.220 815 Q HN 0.360 nan 8.270 nan 0.000 0.427 816 V N 3.644 123.546 119.914 -0.020 0.000 2.487 816 V HA 0.591 4.711 4.120 0.000 0.000 0.298 816 V C 0.551 176.601 176.094 -0.074 0.000 1.028 816 V CA -0.726 61.552 62.300 -0.036 0.000 0.860 816 V CB 1.568 33.346 31.823 -0.074 0.000 0.991 816 V HN 0.859 nan 8.190 nan 0.000 0.427 817 G N 2.276 111.065 108.800 -0.018 0.000 2.522 817 G HA2 0.504 4.464 3.960 0.000 0.000 0.304 817 G HA3 0.504 4.464 3.960 0.000 0.000 0.304 817 G C 0.853 175.679 174.900 -0.123 0.000 1.210 817 G CA -0.536 44.532 45.100 -0.053 0.000 0.960 817 G HN 0.741 nan 8.290 nan 0.000 0.497 818 I N -0.538 119.954 120.570 -0.131 0.000 2.236 818 I HA -0.218 3.952 4.170 0.000 0.000 0.249 818 I C 2.487 178.529 176.117 -0.125 0.000 1.102 818 I CA 1.097 62.315 61.300 -0.136 0.000 1.365 818 I CB -0.987 36.954 38.000 -0.097 0.000 1.051 818 I HN 0.363 nan 8.210 nan 0.000 0.420 819 L N -0.263 120.856 121.223 -0.173 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 1.808 56.461 54.840 -0.311 0.000 0.757 819 L CB -0.709 41.090 42.059 -0.433 0.000 0.896 819 L HN 0.467 nan 8.230 nan 0.000 0.434 820 H N -2.597 116.490 119.070 0.030 0.000 2.785 820 H HA 0.232 4.788 4.556 0.000 0.000 0.268 820 H C -0.125 175.193 175.328 -0.017 0.000 1.153 820 H CA -0.359 55.707 56.048 0.030 0.000 1.111 820 H CB 0.388 30.150 29.762 -0.000 0.000 1.633 820 H HN 0.293 nan 8.280 nan 0.000 0.576 821 Q N 1.367 121.159 119.800 -0.013 0.000 2.243 821 Q HA 0.299 4.639 4.340 0.000 0.000 0.252 821 Q C -0.656 175.372 176.000 0.046 0.000 0.909 821 Q CA -0.670 55.061 55.803 -0.120 0.000 0.922 821 Q CB 1.160 29.691 28.738 -0.345 0.000 1.215 821 Q HN 0.528 nan 8.270 nan 0.000 0.427 822 H N -0.349 118.762 119.070 0.068 0.000 2.840 822 H HA 0.566 5.122 4.556 0.000 0.000 0.340 822 H C -1.462 173.923 175.328 0.095 0.000 1.004 822 H CA -0.954 55.148 56.048 0.090 0.000 1.288 822 H CB 1.091 30.892 29.762 0.064 0.000 1.607 822 H HN 0.430 nan 8.280 nan 0.000 0.522 823 N N 3.145 121.992 118.700 0.244 0.000 2.519 823 N HA 0.182 4.922 4.740 0.000 0.000 0.291 823 N C -0.744 174.933 175.510 0.278 0.000 1.107 823 N CA -0.377 52.778 53.050 0.173 0.000 0.904 823 N CB 0.908 39.350 38.487 -0.075 0.000 1.500 823 N HN 0.869 nan 8.380 nan 0.000 0.510 824 N N 0.223 119.099 118.700 0.294 0.000 2.882 824 N HA -0.156 4.584 4.740 0.000 0.000 0.249 824 N C -0.670 175.047 175.510 0.346 0.000 1.079 824 N CA 1.044 54.329 53.050 0.393 0.000 0.800 824 N CB -1.455 37.232 38.487 0.333 0.000 1.124 824 N HN 0.734 nan 8.380 nan 0.000 0.557 825 S N -0.889 114.940 115.700 0.216 0.000 2.552 825 S HA 0.396 4.866 4.470 0.000 0.000 0.289 825 S C 1.628 176.107 174.600 -0.201 0.000 1.304 825 S CA 0.984 59.206 58.200 0.037 0.000 1.063 825 S CB 1.537 64.730 63.200 -0.012 0.000 0.848 825 S HN 1.029 nan 8.310 nan 0.000 0.499 826 G N 1.975 110.598 108.800 -0.294 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 0.241 174.750 174.900 -0.652 0.000 1.010 826 G CA 0.368 45.129 45.100 -0.565 0.000 0.618 826 G HN 0.779 nan 8.290 nan 0.000 0.516 827 F N 0.543 120.502 119.950 0.014 0.000 2.706 827 F HA 0.611 5.138 4.527 0.000 0.000 0.308 827 F C 0.980 176.781 175.800 0.002 0.000 1.095 827 F CA -0.196 57.810 58.000 0.010 0.000 1.244 827 F CB 0.853 39.866 39.000 0.023 0.000 1.063 827 F HN 0.156 nan 8.300 nan 0.000 0.582 828 V N -0.930 119.057 119.914 0.122 0.000 3.126 828 V HA 0.767 4.887 4.120 0.000 0.000 0.314 828 V C 0.520 176.626 176.094 0.020 0.000 1.138 828 V CA -1.221 61.121 62.300 0.070 0.000 1.034 828 V CB 1.508 33.391 31.823 0.099 0.000 1.075 828 V HN 0.077 nan 8.190 nan 0.000 0.442 829 G N -0.579 108.215 108.800 -0.011 0.000 2.599 829 G HA2 0.366 4.326 3.960 0.000 0.000 0.264 829 G HA3 0.366 4.326 3.960 0.000 0.000 0.264 829 G C -1.245 173.693 174.900 0.062 0.000 1.200 829 G CA -0.148 44.941 45.100 -0.018 0.000 0.896 829 G HN 0.684 nan 8.290 nan 0.000 0.536 830 Y N 1.023 121.276 120.300 -0.079 0.000 2.367 830 Y HA 0.364 4.914 4.550 0.000 0.000 0.342 830 Y C 1.052 176.930 175.900 -0.037 0.000 0.979 830 Y CA -0.959 57.105 58.100 -0.059 0.000 1.161 830 Y CB 0.333 38.745 38.460 -0.079 0.000 1.155 830 Y HN 0.464 nan 8.280 nan 0.000 0.503 831 L N 4.199 125.186 121.223 -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 55.415 54.840 -0.354 0.000 0.968 831 L CB -2.055 39.586 42.059 -0.697 0.000 1.933 831 L HN 0.720 nan 8.230 nan 0.000 0.976 832 A N -1.245 121.535 122.820 -0.067 0.000 2.601 832 A HA 0.727 5.047 4.320 0.000 0.000 0.291 832 A C -2.465 175.040 177.584 -0.131 0.000 1.075 832 A CA -0.636 51.373 52.037 -0.046 0.000 0.671 832 A CB 1.210 20.208 19.000 -0.003 0.000 1.277 832 A HN -0.085 nan 8.150 nan 0.000 0.417 833 P HA 0.133 nan 4.420 nan 0.000 0.243 833 P C 0.344 177.513 177.300 -0.218 0.000 1.668 833 P CA 0.494 63.394 63.100 -0.332 0.000 0.898 833 P CB -0.581 30.831 31.700 -0.480 0.000 1.637 834 T N -3.981 110.476 114.554 -0.161 0.000 2.892 834 T HA 0.410 4.760 4.350 0.000 0.000 0.280 834 T C 0.598 175.211 174.700 -0.146 0.000 1.004 834 T CA -1.106 60.903 62.100 -0.152 0.000 0.950 834 T CB 0.488 69.258 68.868 -0.163 0.000 1.309 834 T HN -0.010 nan 8.240 nan 0.000 0.592 835 M N 1.805 121.310 119.600 -0.158 0.000 2.245 835 M HA 0.110 4.590 4.480 0.000 0.000 0.335 835 M C 0.337 176.572 176.300 -0.108 0.000 1.155 835 M CA -0.491 54.730 55.300 -0.131 0.000 1.055 835 M CB 0.419 32.929 32.600 -0.149 0.000 1.670 835 M HN 0.770 nan 8.290 nan 0.000 0.447 836 R N 3.562 124.019 120.500 -0.072 0.000 2.734 836 R HA 0.220 4.560 4.340 0.000 0.000 0.266 836 R C -0.745 175.503 176.300 -0.087 0.000 1.044 836 R CA 0.051 56.118 56.100 -0.054 0.000 1.128 836 R CB 0.034 30.325 30.300 -0.014 0.000 1.010 836 R HN 0.747 nan 8.270 nan 0.000 0.461 837 E N -0.356 119.785 120.200 -0.098 0.000 2.447 837 E HA 0.584 4.934 4.350 0.000 0.000 0.279 837 E C -0.433 176.071 176.600 -0.160 0.000 1.053 837 E CA -1.065 55.260 56.400 -0.125 0.000 0.840 837 E CB 0.988 30.619 29.700 -0.114 0.000 1.409 837 E HN 0.894 nan 8.360 nan 0.000 0.461 838 G N 0.551 109.241 108.800 -0.184 0.000 2.548 838 G HA2 -0.028 3.932 3.960 0.000 0.000 0.208 838 G HA3 -0.028 3.932 3.960 0.000 0.000 0.208 838 G C -1.148 173.603 174.900 -0.248 0.000 1.308 838 G CA -0.059 44.908 45.100 -0.221 0.000 0.924 838 G HN 0.975 nan 8.290 nan 0.000 0.540 839 Q N -0.991 118.648 119.800 -0.268 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 -0.233 0.000 1.067 839 Q CA -0.370 55.282 55.803 -0.251 0.000 0.809 839 Q CB 1.903 30.524 28.738 -0.196 0.000 1.418 839 Q HN 2.223 nan 8.270 nan 0.000 0.411 840 A N 1.608 124.306 122.820 -0.203 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 0.185 0.000 1.070 840 A CA 0.469 52.492 52.037 -0.024 0.000 0.768 840 A CB 0.048 19.119 19.000 0.119 0.000 1.011 840 A HN 0.671 nan 8.150 nan 0.000 0.502 841 Y N 0.312 120.618 120.300 0.011 0.000 2.643 841 Y HA 0.331 4.881 4.550 0.000 0.000 0.347 841 Y C -2.445 173.502 175.900 0.079 0.000 1.208 841 Y CA -1.325 56.774 58.100 -0.002 0.000 1.245 841 Y CB 1.289 39.674 38.460 -0.125 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 -0.665 176.748 177.300 0.188 0.000 1.183 842 P CA 0.139 63.228 63.100 -0.018 0.000 0.763 842 P CB 0.706 32.317 31.700 -0.147 0.000 0.807 843 A N 3.296 126.192 122.820 0.127 0.000 2.386 843 A HA 0.155 4.475 4.320 0.000 0.000 0.248 843 A C 1.147 178.699 177.584 -0.054 0.000 1.082 843 A CA -0.322 51.769 52.037 0.090 0.000 0.789 843 A CB -0.128 18.861 19.000 -0.019 0.000 1.025 843 A HN 0.719 nan 8.150 nan 0.000 0.490 844 N N -0.242 118.302 118.700 -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 -0.266 0.000 0.882 844 N CB 0.309 38.532 38.487 -0.440 0.000 1.052 844 N HN 0.417 nan 8.380 nan 0.000 0.519 845 F N 0.942 120.661 119.950 -0.384 0.000 2.650 845 F HA 0.601 5.128 4.527 0.000 0.000 0.310 845 F C -2.881 172.648 175.800 -0.452 0.000 1.112 845 F CA -1.481 56.283 58.000 -0.393 0.000 0.986 845 F CB 2.155 40.977 39.000 -0.297 0.000 1.285 845 F HN -0.198 nan 8.300 nan 0.000 0.440 846 P HA 0.278 nan 4.420 nan 0.000 0.287 846 P C -1.424 175.492 177.300 -0.639 0.000 1.296 846 P CA -0.316 61.971 63.100 -1.355 0.000 0.811 846 P CB 1.252 32.252 31.700 -1.168 0.000 1.211 847 Y N -0.178 119.889 120.300 -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 -1.264 56.710 58.100 -0.211 0.000 1.381 847 Y CB -0.990 37.375 38.460 -0.159 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 -0.021 177.242 177.300 -0.062 0.000 1.243 848 P CA 0.172 63.252 63.100 -0.035 0.000 0.768 848 P CB 0.583 32.270 31.700 -0.020 0.000 0.856 849 L N 3.332 124.516 121.223 -0.066 0.000 2.640 849 L HA 0.300 4.640 4.340 0.000 0.000 0.230 849 L C 0.933 177.764 176.870 -0.065 0.000 1.123 849 L CA 0.094 54.885 54.840 -0.082 0.000 0.900 849 L CB -0.127 41.883 42.059 -0.082 0.000 1.146 849 L HN 0.388 nan 8.230 nan 0.000 0.484 850 I N -4.050 116.491 120.570 -0.049 0.000 3.042 850 I HA 0.896 5.066 4.170 0.000 0.000 0.310 850 I C 0.424 176.523 176.117 -0.029 0.000 1.117 850 I CA -0.633 60.645 61.300 -0.037 0.000 1.003 850 I CB 1.788 39.771 38.000 -0.028 0.000 1.228 850 I HN 0.045 nan 8.210 nan 0.000 0.443 851 G N 3.266 112.052 108.800 -0.023 0.000 2.693 851 G HA2 -0.230 3.730 3.960 0.000 0.000 0.226 851 G HA3 -0.230 3.730 3.960 0.000 0.000 0.226 851 G C 0.155 175.047 174.900 -0.014 0.000 1.354 851 G CA 0.254 45.344 45.100 -0.016 0.000 0.873 851 G HN 0.924 nan 8.290 nan 0.000 0.562 852 K N -0.229 120.167 120.400 -0.007 0.000 2.097 852 K HA -0.093 4.227 4.320 0.000 0.000 0.206 852 K C 3.000 179.601 176.600 0.002 0.000 1.049 852 K CA 2.298 58.584 56.287 -0.001 0.000 0.933 852 K CB -0.447 32.056 32.500 0.004 0.000 0.717 852 K HN 0.796 nan 8.250 nan 0.000 0.442 853 T N -0.063 114.492 114.554 0.000 0.000 2.788 853 T HA -0.048 4.302 4.350 0.000 0.000 0.268 853 T C 1.116 175.806 174.700 -0.016 0.000 1.044 853 T CA 0.557 62.661 62.100 0.006 0.000 1.139 853 T CB -0.430 68.441 68.868 0.004 0.000 0.867 853 T HN 0.182 nan 8.240 nan 0.000 0.454 854 A N 2.585 125.383 122.820 -0.037 0.000 2.584 854 A HA 0.437 4.757 4.320 0.000 0.000 0.239 854 A C 0.737 178.249 177.584 -0.121 0.000 1.043 854 A CA -0.043 51.948 52.037 -0.077 0.000 0.756 854 A CB -0.418 18.543 19.000 -0.065 0.000 0.963 854 A HN 1.069 nan 8.150 nan 0.000 0.511 855 V N 1.847 121.616 119.914 -0.242 0.000 2.834 855 V HA 0.319 4.439 4.120 0.000 0.000 0.301 855 V C 0.048 175.942 176.094 -0.333 0.000 1.066 855 V CA -1.033 60.971 62.300 -0.492 0.000 1.052 855 V CB 0.962 32.241 31.823 -0.907 0.000 1.021 855 V HN 0.788 nan 8.190 nan 0.000 0.480 856 D N 3.585 123.817 120.400 -0.280 0.000 2.487 856 D HA 0.231 4.871 4.640 0.000 0.000 0.243 856 D C 0.408 176.607 176.300 -0.168 0.000 1.154 856 D CA 0.821 54.747 54.000 -0.123 0.000 0.876 856 D CB 0.974 41.773 40.800 -0.001 0.000 1.161 856 D HN 1.014 nan 8.370 nan 0.000 0.478 857 S N 2.026 117.651 115.700 -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 -0.093 0.000 1.108 857 S CA -0.970 57.155 58.200 -0.125 0.000 0.944 857 S CB 2.208 65.335 63.200 -0.122 0.000 1.127 857 S HN 0.473 nan 8.310 nan 0.000 0.511 858 I N 0.449 120.962 120.570 -0.096 0.000 2.730 858 I HA 0.526 4.696 4.170 0.000 0.000 0.298 858 I C -1.081 174.986 176.117 -0.083 0.000 1.089 858 I CA -0.380 60.874 61.300 -0.076 0.000 1.041 858 I CB 2.376 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 -0.907 173.771 174.700 -0.038 0.000 1.000 859 T CA -0.474 61.589 62.100 -0.062 0.000 1.042 859 T CB 1.264 70.113 68.868 -0.032 0.000 0.973 859 T HN 0.498 nan 8.240 nan 0.000 0.465 860 Q N 1.879 121.641 119.800 -0.063 0.000 2.337 860 Q HA 0.528 4.868 4.340 0.000 0.000 0.270 860 Q C -0.878 175.226 176.000 0.173 0.000 1.043 860 Q CA -0.792 55.032 55.803 0.037 0.000 0.794 860 Q CB 2.776 31.512 28.738 -0.004 0.000 1.281 860 Q HN 0.404 nan 8.270 nan 0.000 0.446 861 K N 1.984 122.534 120.400 0.249 0.000 2.316 861 K HA 0.536 4.856 4.320 0.000 0.000 0.251 861 K C -0.992 175.781 176.600 0.288 0.000 0.934 861 K CA -0.488 55.973 56.287 0.291 0.000 0.802 861 K CB 1.739 34.354 32.500 0.192 0.000 1.171 861 K HN 0.627 nan 8.250 nan 0.000 0.426 862 K N 0.806 121.352 120.400 0.243 0.000 2.544 862 K HA 0.514 4.834 4.320 0.000 0.000 0.282 862 K C -1.537 175.166 176.600 0.172 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 -0.071 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 0.013 0.000 2.741 863 F HA 0.713 5.240 4.527 0.000 0.000 0.311 863 F C -2.373 173.437 175.800 0.017 0.000 1.149 863 F CA -1.170 56.829 58.000 -0.002 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 1.909 123.217 121.223 0.142 0.000 2.341 864 L HA 0.747 5.087 4.340 0.000 0.000 0.267 864 L C -0.957 176.188 176.870 0.457 0.000 1.009 864 L CA -0.743 54.129 54.840 0.052 0.000 0.819 864 L CB 2.015 44.007 42.059 -0.111 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 -0.689 174.468 174.990 0.279 0.000 0.984 865 C CA -0.844 58.431 59.018 0.427 0.000 1.142 865 C CB -0.961 27.163 27.740 0.640 0.000 1.721 865 C HN 0.793 nan 8.230 nan 0.000 0.628 866 D N 1.663 122.244 120.400 0.302 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 0.135 54.370 54.000 0.391 0.000 0.945 866 D CB 0.437 41.539 40.800 0.503 0.000 1.137 866 D HN 0.727 nan 8.370 nan 0.000 0.464 867 R N -1.767 119.031 120.500 0.496 0.000 3.484 867 R HA -0.238 4.102 4.340 0.000 0.000 0.260 867 R C -0.669 175.917 176.300 0.476 0.000 1.053 867 R CA 0.962 57.363 56.100 0.502 0.000 0.703 867 R CB -2.548 28.038 30.300 0.477 0.000 1.089 867 R HN 0.354 nan 8.270 nan 0.000 0.459 868 T N -0.282 114.451 114.554 0.299 0.000 2.865 868 T HA 0.717 5.067 4.350 0.000 0.000 0.294 868 T C -1.000 173.592 174.700 -0.181 0.000 1.119 868 T CA -0.865 61.305 62.100 0.117 0.000 1.007 868 T CB 1.402 70.310 68.868 0.067 0.000 1.225 868 T HN 0.270 nan 8.240 nan 0.000 0.515 869 L N 1.890 122.945 121.223 -0.281 0.000 2.346 869 L HA 0.553 4.893 4.340 0.000 0.000 0.276 869 L C -0.618 175.987 176.870 -0.443 0.000 1.006 869 L CA -0.973 53.562 54.840 -0.508 0.000 0.817 869 L CB 1.762 43.548 42.059 -0.455 0.000 1.272 869 L HN 0.716 nan 8.230 nan 0.000 0.421 870 W N 2.765 123.702 121.300 -0.606 0.000 2.181 870 W HA 0.341 5.001 4.660 0.000 0.000 0.335 870 W C 0.242 176.368 176.519 -0.654 0.000 1.310 870 W CA -0.507 56.428 57.345 -0.683 0.000 1.226 870 W CB 0.614 29.317 29.460 -1.260 0.000 1.155 870 W HN 0.286 nan 8.180 nan 0.000 0.565 871 R N 3.191 123.569 120.500 -0.203 0.000 2.628 871 R HA 0.569 4.909 4.340 0.000 0.000 0.288 871 R C -1.046 175.136 176.300 -0.197 0.000 0.980 871 R CA -0.954 55.029 56.100 -0.194 0.000 0.891 871 R CB 1.873 32.040 30.300 -0.223 0.000 1.188 871 R HN 0.435 nan 8.270 nan 0.000 0.450 872 I N 4.204 124.786 120.570 0.020 0.000 2.583 872 I HA 0.264 4.434 4.170 0.000 0.000 0.276 872 I C -2.295 174.045 176.117 0.372 0.000 1.089 872 I CA -2.083 59.281 61.300 0.106 0.000 1.103 872 I CB 2.062 40.099 38.000 0.061 0.000 1.209 872 I HN 0.282 nan 8.210 nan 0.000 0.484 873 P HA 0.055 nan 4.420 nan 0.000 0.275 873 P C -0.482 177.123 177.300 0.507 0.000 1.228 873 P CA -0.256 63.006 63.100 0.271 0.000 0.786 873 P CB 1.011 32.819 31.700 0.179 0.000 0.927 874 F N 2.435 122.376 119.950 -0.016 0.000 2.640 874 F HA 0.298 4.825 4.527 0.000 0.000 0.354 874 F C 0.354 176.203 175.800 0.082 0.000 1.213 874 F CA -0.142 57.838 58.000 -0.032 0.000 1.314 874 F CB -0.594 38.130 39.000 -0.459 0.000 1.679 874 F HN 0.119 nan 8.300 nan 0.000 0.622 875 S N 0.651 116.464 115.700 0.188 0.000 2.538 875 S HA 0.311 4.781 4.470 0.000 0.000 0.288 875 S C 0.968 175.523 174.600 -0.075 0.000 1.108 875 S CA -0.070 58.144 58.200 0.024 0.000 0.971 875 S CB 1.253 64.496 63.200 0.071 0.000 1.041 875 S HN 0.504 nan 8.310 nan 0.000 0.483 876 S N 3.456 119.078 115.700 -0.131 0.000 2.420 876 S HA -0.181 4.289 4.470 0.000 0.000 0.237 876 S C 0.922 175.329 174.600 -0.322 0.000 1.023 876 S CA 1.792 59.872 58.200 -0.200 0.000 0.991 876 S CB -0.630 62.489 63.200 -0.136 0.000 0.792 876 S HN 0.869 nan 8.310 nan 0.000 0.488 877 N N -0.554 118.007 118.700 -0.231 0.000 2.197 877 N HA 0.245 4.985 4.740 0.000 0.000 0.228 877 N C 0.266 175.804 175.510 0.046 0.000 1.212 877 N CA -0.383 52.579 53.050 -0.145 0.000 0.883 877 N CB -0.968 37.496 38.487 -0.039 0.000 1.107 877 N HN 0.428 nan 8.380 nan 0.000 0.519 878 F N -1.242 118.788 119.950 0.134 0.000 2.825 878 F HA -0.307 4.220 4.527 0.000 0.000 0.358 878 F C 0.457 176.285 175.800 0.048 0.000 0.639 878 F CA 0.529 58.591 58.000 0.105 0.000 1.153 878 F CB -1.459 37.582 39.000 0.069 0.000 1.610 878 F HN 0.083 nan 8.300 nan 0.000 0.305 879 M N 0.075 119.796 119.600 0.202 0.000 2.283 879 M HA 0.303 4.783 4.480 0.000 0.000 0.314 879 M C 0.606 176.946 176.300 0.067 0.000 1.153 879 M CA 0.006 55.380 55.300 0.124 0.000 1.084 879 M CB 0.931 33.613 32.600 0.138 0.000 1.468 879 M HN -0.089 nan 8.290 nan 0.000 0.474 880 S N 2.191 117.912 115.700 0.035 0.000 2.430 880 S HA 0.407 4.877 4.470 0.000 0.000 0.289 880 S C 0.214 174.826 174.600 0.020 0.000 1.143 880 S CA -0.418 57.789 58.200 0.012 0.000 1.067 880 S CB 0.291 63.484 63.200 -0.012 0.000 0.964 880 S HN 0.651 nan 8.310 nan 0.000 0.485 881 M N 2.388 121.998 119.600 0.017 0.000 2.504 881 M HA 0.327 4.807 4.480 0.000 0.000 0.370 881 M C 0.512 176.821 176.300 0.016 0.000 1.110 881 M CA -0.203 55.107 55.300 0.017 0.000 0.938 881 M CB 0.977 33.584 32.600 0.012 0.000 1.460 881 M HN 0.817 nan 8.290 nan 0.000 0.535 882 G N -0.168 108.642 108.800 0.016 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 0.096 175.018 174.900 0.036 0.000 1.603 882 G CA -0.498 44.617 45.100 0.026 0.000 0.961 882 G HN 0.099 nan 8.290 nan 0.000 0.686 883 A N 0.455 123.311 122.820 0.059 0.000 1.892 883 A HA 0.106 4.426 4.320 0.000 0.000 0.218 883 A C 1.647 179.365 177.584 0.225 0.000 1.188 883 A CA 2.165 54.254 52.037 0.086 0.000 0.631 883 A CB -0.305 18.793 19.000 0.164 0.000 0.822 883 A HN 1.795 nan 8.150 nan 0.000 0.447 884 L N 2.286 123.680 121.223 0.285 0.000 2.334 884 L HA 0.292 4.632 4.340 0.000 0.000 0.286 884 L C 0.904 177.842 176.870 0.114 0.000 1.108 884 L CA 0.314 55.306 54.840 0.253 0.000 0.875 884 L CB -0.432 41.670 42.059 0.072 0.000 1.246 884 L HN 0.433 nan 8.230 nan 0.000 0.439 885 T N 0.019 114.630 114.554 0.095 0.000 2.795 885 T HA 0.048 4.398 4.350 0.000 0.000 0.314 885 T C 1.109 175.817 174.700 0.013 0.000 1.069 885 T CA 0.185 62.305 62.100 0.034 0.000 1.071 885 T CB 0.505 69.381 68.868 0.013 0.000 0.988 885 T HN 0.692 nan 8.240 nan 0.000 0.543 886 D N 1.225 121.612 120.400 -0.020 0.000 2.117 886 D HA -0.123 4.517 4.640 0.000 0.000 0.198 886 D C 2.073 178.342 176.300 -0.051 0.000 0.982 886 D CA 1.110 55.093 54.000 -0.028 0.000 0.828 886 D CB -0.606 40.173 40.800 -0.036 0.000 0.967 886 D HN 0.568 nan 8.370 nan 0.000 0.464 887 L N 0.389 121.521 121.223 -0.153 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 -0.231 0.000 1.094 887 L CA 1.184 55.841 54.840 -0.305 0.000 0.763 887 L CB -0.678 40.827 42.059 -0.922 0.000 0.908 887 L HN 0.199 nan 8.230 nan 0.000 0.437 888 G N -0.926 107.847 108.800 -0.044 0.000 2.470 888 G HA2 -0.282 3.678 3.960 0.000 0.000 0.220 888 G HA3 -0.282 3.678 3.960 0.000 0.000 0.220 888 G C 1.424 176.382 174.900 0.096 0.000 1.121 888 G CA 0.360 45.517 45.100 0.096 0.000 0.766 888 G HN 0.417 nan 8.290 nan 0.000 0.553 889 Q N -0.197 119.646 119.800 0.070 0.000 2.179 889 Q HA 0.162 4.502 4.340 0.000 0.000 0.213 889 Q C 0.219 176.284 176.000 0.108 0.000 0.833 889 Q CA -0.497 55.354 55.803 0.080 0.000 0.990 889 Q CB -0.040 28.723 28.738 0.041 0.000 1.132 889 Q HN 0.457 nan 8.270 nan 0.000 0.493 890 N N 0.042 118.844 118.700 0.169 0.000 2.497 890 N HA 0.018 4.758 4.740 0.000 0.000 0.268 890 N C 0.913 176.543 175.510 0.199 0.000 1.171 890 N CA -0.012 53.158 53.050 0.199 0.000 0.948 890 N CB 0.640 39.319 38.487 0.320 0.000 1.069 890 N HN 0.249 nan 8.380 nan 0.000 0.460 891 L N 2.885 124.174 121.223 0.109 0.000 2.189 891 L HA -0.198 4.142 4.340 0.000 0.000 0.214 891 L C 2.032 178.948 176.870 0.076 0.000 1.097 891 L CA 0.562 55.453 54.840 0.085 0.000 0.764 891 L CB -0.486 41.603 42.059 0.050 0.000 0.900 891 L HN 0.675 nan 8.230 nan 0.000 0.436 892 L N -0.818 120.420 121.223 0.025 0.000 2.042 892 L HA -0.246 4.094 4.340 0.000 0.000 0.210 892 L C 2.334 179.129 176.870 -0.125 0.000 1.076 892 L CA 1.954 56.734 54.840 -0.099 0.000 0.749 892 L CB -0.645 41.240 42.059 -0.291 0.000 0.893 892 L HN 0.106 nan 8.230 nan 0.000 0.432 893 Y N -0.440 119.869 120.300 0.015 0.000 2.153 893 Y HA 0.004 4.554 4.550 0.000 0.000 0.289 893 Y C 2.592 178.583 175.900 0.152 0.000 1.127 893 Y CA 1.358 59.494 58.100 0.061 0.000 1.131 893 Y CB -1.068 37.467 38.460 0.126 0.000 0.995 893 Y HN 0.258 nan 8.280 nan 0.000 0.505 894 A N 0.600 123.590 122.820 0.283 0.000 1.898 894 A HA -0.192 4.128 4.320 0.000 0.000 0.216 894 A C 1.919 179.585 177.584 0.136 0.000 1.181 894 A CA 1.921 54.069 52.037 0.186 0.000 0.620 894 A CB -0.711 18.372 19.000 0.138 0.000 0.819 894 A HN 0.437 nan 8.150 nan 0.000 0.442 895 N N 0.457 119.229 118.700 0.120 0.000 2.120 895 N HA -0.055 4.685 4.740 0.000 0.000 0.188 895 N C 0.671 176.233 175.510 0.087 0.000 1.024 895 N CA 1.330 54.431 53.050 0.085 0.000 0.852 895 N CB -0.281 38.245 38.487 0.065 0.000 1.003 895 N HN 0.581 nan 8.380 nan 0.000 0.424 896 S N -1.022 114.757 115.700 0.132 0.000 2.536 896 S HA 0.792 5.262 4.470 0.000 0.000 0.287 896 S C -0.507 174.199 174.600 0.177 0.000 1.101 896 S CA -1.101 57.157 58.200 0.097 0.000 0.950 896 S CB 2.601 65.813 63.200 0.020 0.000 1.056 896 S HN 0.285 nan 8.310 nan 0.000 0.481 897 A N 1.893 124.759 122.820 0.076 0.000 2.445 897 A HA 0.609 4.929 4.320 0.000 0.000 0.242 897 A C -0.369 177.250 177.584 0.058 0.000 1.075 897 A CA 0.076 52.196 52.037 0.138 0.000 0.777 897 A CB -0.301 18.728 19.000 0.048 0.000 1.013 897 A HN 0.940 nan 8.150 nan 0.000 0.493 898 H N -0.945 118.316 119.070 0.320 0.000 2.895 898 H HA 0.651 5.207 4.556 0.000 0.000 0.373 898 H C -0.014 175.576 175.328 0.437 0.000 1.174 898 H CA 0.419 56.658 56.048 0.319 0.000 1.144 898 H CB 1.960 31.875 29.762 0.254 0.000 1.793 898 H HN 0.943 nan 8.280 nan 0.000 0.551 899 A N 1.706 124.762 122.820 0.394 0.000 2.312 899 A HA 0.638 4.958 4.320 0.000 0.000 0.328 899 A C -1.286 176.434 177.584 0.226 0.000 1.158 899 A CA -0.521 51.696 52.037 0.300 0.000 0.821 899 A CB 0.687 19.786 19.000 0.165 0.000 1.170 899 A HN 0.495 nan 8.150 nan 0.000 0.490 900 L N 1.214 122.529 121.223 0.154 0.000 2.365 900 L HA 0.681 5.021 4.340 0.000 0.000 0.273 900 L C -1.502 175.346 176.870 -0.038 0.000 1.000 900 L CA -0.195 54.578 54.840 -0.112 0.000 0.819 900 L CB 2.089 44.018 42.059 -0.217 0.000 1.284 900 L HN 0.628 nan 8.230 nan 0.000 0.418 901 D N 5.459 125.782 120.400 -0.128 0.000 2.646 901 D HA 0.528 5.168 4.640 0.000 0.000 0.245 901 D C -0.926 175.287 176.300 -0.145 0.000 1.099 901 D CA -0.074 53.881 54.000 -0.075 0.000 0.849 901 D CB 2.395 43.165 40.800 -0.049 0.000 1.448 901 D HN 0.520 nan 8.370 nan 0.000 0.489 902 M N 0.798 120.326 119.600 -0.120 0.000 2.457 902 M HA 0.328 4.808 4.480 0.000 0.000 0.300 902 M C -1.104 175.088 176.300 -0.180 0.000 1.141 902 M CA -0.456 54.704 55.300 -0.234 0.000 0.901 902 M CB 2.688 35.160 32.600 -0.213 0.000 1.687 902 M HN 0.092 nan 8.290 nan 0.000 0.449 903 T N 3.182 117.550 114.554 -0.309 0.000 2.906 903 T HA 0.561 4.911 4.350 0.000 0.000 0.302 903 T C -1.163 173.361 174.700 -0.294 0.000 1.002 903 T CA -0.360 61.636 62.100 -0.174 0.000 0.988 903 T CB 0.431 69.224 68.868 -0.124 0.000 0.972 903 T HN 0.265 nan 8.240 nan 0.000 0.447 904 F N 1.964 121.823 119.950 -0.153 0.000 2.421 904 F HA 0.531 5.058 4.527 0.000 0.000 0.337 904 F C 0.771 176.519 175.800 -0.086 0.000 1.105 904 F CA -1.096 56.827 58.000 -0.128 0.000 1.049 904 F CB 1.369 40.313 39.000 -0.093 0.000 1.139 904 F HN 0.454 nan 8.300 nan 0.000 0.479 905 E N 3.008 123.261 120.200 0.088 0.000 2.176 905 E HA 0.651 5.001 4.350 0.000 0.000 0.267 905 E C -1.503 175.101 176.600 0.006 0.000 0.893 905 E CA -0.742 55.670 56.400 0.021 0.000 0.761 905 E CB 1.619 31.307 29.700 -0.021 0.000 1.133 905 E HN 0.532 nan 8.360 nan 0.000 0.409 906 V N 0.564 120.442 119.914 -0.060 0.000 3.141 906 V HA 0.546 4.666 4.120 0.000 0.000 0.312 906 V C -0.647 175.375 176.094 -0.119 0.000 1.157 906 V CA -1.115 61.090 62.300 -0.157 0.000 1.041 906 V CB 1.872 33.501 31.823 -0.324 0.000 1.071 906 V HN 0.575 nan 8.190 nan 0.000 0.441 907 D N 3.136 123.453 120.400 -0.139 0.000 2.389 907 D HA 0.386 5.026 4.640 0.000 0.000 0.247 907 D C -2.367 173.880 176.300 -0.087 0.000 1.128 907 D CA -0.880 53.067 54.000 -0.088 0.000 0.884 907 D CB 1.149 41.900 40.800 -0.082 0.000 1.194 907 D HN 0.654 nan 8.370 nan 0.000 0.441 908 P HA 0.179 nan 4.420 nan 0.000 0.275 908 P C -0.657 176.625 177.300 -0.029 0.000 1.227 908 P CA -0.259 62.817 63.100 -0.039 0.000 0.781 908 P CB 0.930 32.618 31.700 -0.019 0.000 0.906 909 M N 2.013 121.596 119.600 -0.029 0.000 2.395 909 M HA 0.170 4.650 4.480 0.000 0.000 0.307 909 M C 0.148 176.448 176.300 0.000 0.000 1.091 909 M CA -0.607 54.687 55.300 -0.010 0.000 0.919 909 M CB 1.998 34.584 32.600 -0.024 0.000 1.662 909 M HN 0.248 nan 8.290 nan 0.000 0.440 910 D N 0.826 121.237 120.400 0.017 0.000 2.494 910 D HA 0.012 4.652 4.640 0.000 0.000 0.249 910 D C -0.298 176.009 176.300 0.011 0.000 1.223 910 D CA 0.062 54.072 54.000 0.017 0.000 0.865 910 D CB -0.150 40.668 40.800 0.029 0.000 0.974 910 D HN 0.637 nan 8.370 nan 0.000 0.491 911 E N -1.841 118.362 120.200 0.004 0.000 2.390 911 E HA 0.398 4.748 4.350 0.000 0.000 0.280 911 E C -3.258 173.336 176.600 -0.010 0.000 0.992 911 E CA -2.456 53.943 56.400 -0.002 0.000 0.790 911 E CB 0.941 30.644 29.700 0.006 0.000 1.248 911 E HN -0.225 nan 8.360 nan 0.000 0.447 912 P HA 0.063 nan 4.420 nan 0.000 0.263 912 P C -0.638 176.651 177.300 -0.018 0.000 1.195 912 P CA 0.472 63.561 63.100 -0.018 0.000 0.762 912 P CB 0.701 32.388 31.700 -0.022 0.000 0.799 913 T N 0.925 115.467 114.554 -0.020 0.000 2.773 913 T HA 0.805 5.155 4.350 0.000 0.000 0.278 913 T C -0.792 173.905 174.700 -0.006 0.000 1.011 913 T CA -0.902 61.186 62.100 -0.019 0.000 1.014 913 T CB 0.885 69.728 68.868 -0.042 0.000 1.293 913 T HN 0.111 nan 8.240 nan 0.000 0.554 914 L N 0.648 121.879 121.223 0.013 0.000 2.455 914 L HA 0.572 4.912 4.340 0.000 0.000 0.264 914 L C -1.387 175.541 176.870 0.096 0.000 0.968 914 L CA -1.215 53.653 54.840 0.046 0.000 0.827 914 L CB 2.281 44.359 42.059 0.032 0.000 1.317 914 L HN 0.602 nan 8.230 nan 0.000 0.407 915 L N 3.086 124.380 121.223 0.118 0.000 2.260 915 L HA 0.306 4.646 4.340 0.000 0.000 0.289 915 L C -0.981 176.059 176.870 0.284 0.000 1.057 915 L CA 0.299 55.217 54.840 0.129 0.000 0.811 915 L CB 0.407 42.433 42.059 -0.056 0.000 1.184 915 L HN 0.492 nan 8.230 nan 0.000 0.429 916 Y N 5.883 126.275 120.300 0.154 0.000 2.434 916 Y HA 0.590 5.140 4.550 0.000 0.000 0.341 916 Y C -0.976 175.019 175.900 0.159 0.000 0.965 916 Y CA -1.138 57.071 58.100 0.181 0.000 1.205 916 Y CB 1.038 39.622 38.460 0.206 0.000 1.121 916 Y HN 0.386 nan 8.280 nan 0.000 0.507 917 V N 7.493 127.634 119.914 0.378 0.000 2.417 917 V HA 0.269 4.389 4.120 0.000 0.000 0.291 917 V C -0.338 175.785 176.094 0.048 0.000 1.024 917 V CA -0.879 61.485 62.300 0.107 0.000 0.861 917 V CB 1.533 33.419 31.823 0.106 0.000 0.985 917 V HN 0.625 nan 8.190 nan 0.000 0.436 918 L N 5.231 126.353 121.223 -0.167 0.000 2.265 918 L HA 0.513 4.853 4.340 0.000 0.000 0.289 918 L C -0.679 176.101 176.870 -0.150 0.000 1.033 918 L CA 0.019 54.789 54.840 -0.117 0.000 0.814 918 L CB 0.943 42.861 42.059 -0.235 0.000 1.203 918 L HN 0.521 nan 8.230 nan 0.000 0.423 919 F N 2.048 121.979 119.950 -0.031 0.000 2.335 919 F HA 0.234 4.761 4.527 0.000 0.000 0.365 919 F C 1.118 176.846 175.800 -0.120 0.000 1.122 919 F CA -0.559 57.420 58.000 -0.035 0.000 1.151 919 F CB 0.596 39.385 39.000 -0.352 0.000 1.282 919 F HN 0.434 nan 8.300 nan 0.000 0.513 920 E N 3.511 123.645 120.200 -0.110 0.000 2.351 920 E HA 0.312 4.662 4.350 0.000 0.000 0.266 920 E C 0.007 176.470 176.600 -0.228 0.000 1.031 920 E CA -0.149 56.095 56.400 -0.260 0.000 0.911 920 E CB 0.906 30.364 29.700 -0.402 0.000 0.986 920 E HN 0.503 nan 8.360 nan 0.000 0.446 921 V N 0.163 119.960 119.914 -0.195 0.000 3.109 921 V HA 0.581 4.701 4.120 0.000 0.000 0.311 921 V C -1.201 174.700 176.094 -0.321 0.000 1.389 921 V CA -1.080 61.161 62.300 -0.097 0.000 1.034 921 V CB 1.069 32.957 31.823 0.108 0.000 1.105 921 V HN 0.415 nan 8.190 nan 0.000 0.477 922 F N 1.005 120.946 119.950 -0.014 0.000 2.426 922 F HA 0.690 5.217 4.527 0.000 0.000 0.348 922 F C -0.293 175.492 175.800 -0.024 0.000 1.124 922 F CA -0.142 57.835 58.000 -0.038 0.000 1.008 922 F CB 1.518 40.508 39.000 -0.015 0.000 1.139 922 F HN 0.583 nan 8.300 nan 0.000 0.452 923 D N 4.079 124.494 120.400 0.025 0.000 2.462 923 D HA 0.458 5.098 4.640 0.000 0.000 0.249 923 D C -1.020 175.265 176.300 -0.025 0.000 1.117 923 D CA 0.021 54.009 54.000 -0.021 0.000 0.900 923 D CB 1.034 41.704 40.800 -0.218 0.000 1.039 923 D HN 0.152 nan 8.370 nan 0.000 0.516 924 V N 1.909 121.925 119.914 0.170 0.000 3.019 924 V HA 0.724 4.844 4.120 0.000 0.000 0.317 924 V C -0.059 176.185 176.094 0.251 0.000 1.094 924 V CA -0.868 61.560 62.300 0.214 0.000 1.000 924 V CB 2.349 34.262 31.823 0.149 0.000 1.060 924 V HN 0.231 nan 8.190 nan 0.000 0.443 925 V N 1.800 121.821 119.914 0.178 0.000 2.851 925 V HA 0.542 4.662 4.120 0.000 0.000 0.307 925 V C -0.578 175.503 176.094 -0.022 0.000 1.129 925 V CA -0.736 61.525 62.300 -0.065 0.000 0.932 925 V CB 2.074 33.709 31.823 -0.314 0.000 1.024 925 V HN 0.872 nan 8.190 nan 0.000 0.426 926 R N 2.584 123.048 120.500 -0.060 0.000 2.437 926 R HA 0.790 5.130 4.340 0.000 0.000 0.310 926 R C -1.618 174.680 176.300 -0.002 0.000 0.955 926 R CA -0.381 55.700 56.100 -0.031 0.000 0.851 926 R CB 1.923 32.205 30.300 -0.030 0.000 1.161 926 R HN 0.581 nan 8.270 nan 0.000 0.446 927 V N 4.545 124.484 119.914 0.042 0.000 2.398 927 V HA 0.306 4.426 4.120 0.000 0.000 0.286 927 V C -0.128 176.048 176.094 0.136 0.000 1.026 927 V CA -0.622 61.731 62.300 0.088 0.000 0.868 927 V CB 1.291 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 5.489 124.572 119.070 0.022 0.000 2.489 928 H HA 0.559 5.115 4.556 0.000 0.000 0.343 928 H C -0.553 174.793 175.328 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 5.676 125.989 120.500 -0.311 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 1.229 31.494 30.300 -0.059 0.000 1.258 929 R HN 0.576 nan 8.270 nan 0.000 0.650 930 P HA -0.158 nan 4.420 nan 0.000 0.216 930 P C -0.323 176.513 177.300 -0.773 0.000 1.150 930 P CA 1.542 64.221 63.100 -0.701 0.000 0.843 930 P CB 0.410 31.771 31.700 -0.566 0.000 0.787 931 H N -3.378 115.644 119.070 -0.081 0.000 2.977 931 H HA 0.421 4.977 4.556 0.000 0.000 0.350 931 H C -0.039 175.278 175.328 -0.019 0.000 1.238 931 H CA -1.066 54.962 56.048 -0.034 0.000 1.124 931 H CB 0.955 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 0.754 121.328 120.500 0.123 0.000 2.504 932 R HA 0.146 4.486 4.340 0.000 0.000 0.291 932 R C 0.488 176.787 176.300 -0.002 0.000 0.974 932 R CA 1.444 57.574 56.100 0.051 0.000 1.077 932 R CB -0.434 29.883 30.300 0.028 0.000 0.926 932 R HN 1.063 nan 8.270 nan 0.000 0.407 933 G N 2.476 111.228 108.800 -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 -0.342 174.509 174.900 -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 1.210 121.165 119.914 0.069 0.000 2.487 934 V HA 0.675 4.795 4.120 0.000 0.000 0.298 934 V C 0.228 176.406 176.094 0.140 0.000 1.028 934 V CA -0.739 61.623 62.300 0.104 0.000 0.860 934 V CB 1.855 33.741 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 0.519 4.689 4.170 0.000 0.000 0.285 935 I C -0.416 175.776 176.117 0.126 0.000 1.021 935 I CA -0.438 60.945 61.300 0.137 0.000 1.091 935 I CB 1.989 40.080 38.000 0.152 0.000 1.242 935 I HN 0.601 nan 8.210 nan 0.000 0.439 936 E N 4.561 124.837 120.200 0.125 0.000 2.199 936 E HA 0.576 4.926 4.350 0.000 0.000 0.269 936 E C -0.743 175.945 176.600 0.146 0.000 0.899 936 E CA -0.787 55.703 56.400 0.149 0.000 0.772 936 E CB 2.609 32.419 29.700 0.183 0.000 1.155 936 E HN 0.629 nan 8.360 nan 0.000 0.408 937 T N -1.639 113.001 114.554 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 61.365 62.100 0.096 0.000 0.995 937 T CB 1.369 70.283 68.868 0.077 0.000 1.051 937 T HN 0.146 nan 8.240 nan 0.000 0.470 938 V N 2.759 122.695 119.914 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 -0.903 61.452 62.300 0.092 0.000 0.848 938 V CB 0.765 32.622 31.823 0.056 0.000 0.998 938 V HN 0.921 nan 8.190 nan 0.000 0.424 939 Y N 4.995 125.368 120.300 0.123 0.000 2.342 939 Y HA 0.752 5.302 4.550 0.000 0.000 0.334 939 Y C -0.178 175.803 175.900 0.134 0.000 1.067 939 Y CA -0.686 57.510 58.100 0.159 0.000 1.128 939 Y CB 1.928 40.497 38.460 0.182 0.000 1.200 939 Y HN 0.531 nan 8.280 nan 0.000 0.464 940 L N 4.692 126.090 121.223 0.291 0.000 2.516 940 L HA 0.524 4.864 4.340 0.000 0.000 0.267 940 L C -1.414 175.582 176.870 0.210 0.000 0.957 940 L CA -0.745 54.217 54.840 0.202 0.000 0.860 940 L CB 1.642 43.776 42.059 0.126 0.000 1.265 940 L HN 0.659 nan 8.230 nan 0.000 0.403 941 R N 3.379 123.992 120.500 0.188 0.000 2.435 941 R HA 0.735 5.075 4.340 0.000 0.000 0.308 941 R C -1.495 174.903 176.300 0.163 0.000 0.975 941 R CA 0.007 56.217 56.100 0.183 0.000 0.867 941 R CB 1.264 31.673 30.300 0.181 0.000 1.171 941 R HN 0.828 nan 8.270 nan 0.000 0.470 942 T N 2.210 116.878 114.554 0.189 0.000 2.916 942 T HA 0.520 4.870 4.350 0.000 0.000 0.298 942 T C -2.815 172.038 174.700 0.255 0.000 1.031 942 T CA -1.940 60.262 62.100 0.169 0.000 0.993 942 T CB 2.482 71.415 68.868 0.108 0.000 1.045 942 T HN 0.229 nan 8.240 nan 0.000 0.454 943 P HA 0.500 nan 4.420 nan 0.000 0.312 943 P C -0.238 177.181 177.300 0.199 0.000 1.307 943 P CA -0.561 62.602 63.100 0.105 0.000 0.738 943 P CB -0.071 31.604 31.700 -0.042 0.000 1.422 944 F N -3.126 116.702 119.950 -0.204 0.000 3.040 944 F HA -0.204 4.323 4.527 0.000 0.000 0.298 944 F C 0.317 176.073 175.800 -0.073 0.000 0.948 944 F CA 0.155 58.050 58.000 -0.176 0.000 1.022 944 F CB -2.700 36.209 39.000 -0.151 0.000 1.023 944 F HN -0.069 nan 8.300 nan 0.000 0.742 945 S N 0.145 115.862 115.700 0.029 0.000 2.558 945 S HA 0.378 4.848 4.470 0.000 0.000 0.291 945 S C 1.315 175.951 174.600 0.060 0.000 1.306 945 S CA -0.043 58.189 58.200 0.053 0.000 1.056 945 S CB 1.042 64.250 63.200 0.014 0.000 0.836 945 S HN 0.654 nan 8.310 nan 0.000 0.504 946 A N 3.895 126.766 122.820 0.084 0.000 3.185 946 A HA 0.316 4.636 4.320 0.000 0.000 0.161 946 A C 1.136 178.745 177.584 0.040 0.000 0.867 946 A CA 0.792 52.872 52.037 0.072 0.000 1.131 946 A CB -1.203 17.843 19.000 0.077 0.000 0.830 946 A HN 0.949 nan 8.150 nan 0.000 0.548 947 G N 0.082 108.902 108.800 0.033 0.000 2.320 947 G HA2 0.459 4.419 3.960 0.000 0.000 0.300 947 G HA3 0.459 4.419 3.960 0.000 0.000 0.300 947 G C -0.058 174.852 174.900 0.017 0.000 1.126 947 G CA -0.322 44.789 45.100 0.018 0.000 0.896 947 G HN 0.703 nan 8.290 nan 0.000 0.436 948 N N 1.498 120.201 118.700 0.005 0.000 2.669 948 N HA 0.613 5.353 4.740 0.000 0.000 0.306 948 N C 0.704 176.215 175.510 0.002 0.000 1.352 948 N CA -0.076 52.975 53.050 0.002 0.000 0.886 948 N CB 1.138 39.617 38.487 -0.013 0.000 1.107 948 N HN 0.484 nan 8.380 nan 0.000 0.534 949 A N -1.962 120.857 122.820 -0.001 0.000 1.806 949 A HA 0.327 4.647 4.320 0.000 0.000 0.193 949 A C 0.163 177.744 177.584 -0.005 0.000 1.883 949 A CA 0.758 52.791 52.037 -0.007 0.000 1.434 949 A CB -0.259 18.731 19.000 -0.017 0.000 1.505 949 A HN 0.647 nan 8.150 nan 0.000 0.364 950 T N 0.000 114.552 114.554 -0.003 0.000 3.816 950 T HA 0.000 4.350 4.350 0.000 0.000 0.228 950 T CA 0.000 62.098 62.100 -0.003 0.000 1.349 950 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 950 T HN 0.000 nan 8.240 nan 0.000 0.658