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_D 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 SAGNA 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 0.000 176.018 176.300 -0.469 0.000 1.140 5 M CA 0.000 54.878 55.300 -0.704 0.000 0.988 5 M CB 0.000 32.245 32.600 -0.591 0.000 1.302 6 M N -1.150 118.159 119.600 -0.484 0.000 7.319 6 M HA -0.138 4.342 4.480 0.000 0.000 0.546 6 M C -1.808 174.448 176.300 -0.075 0.000 0.480 6 M CA 1.081 56.281 55.300 -0.167 0.000 1.311 6 M CB -2.896 29.631 32.600 -0.123 0.000 0.421 6 M HN 0.437 nan 8.290 nan 0.000 0.276 7 P HA -0.124 nan 4.420 nan 0.000 0.218 7 P C 1.591 178.893 177.300 0.003 0.000 1.146 7 P CA 1.813 64.893 63.100 -0.034 0.000 0.813 7 P CB -0.080 31.582 31.700 -0.063 0.000 0.778 8 Q N -1.698 118.074 119.800 -0.045 0.000 1.994 8 Q HA -0.097 4.243 4.340 0.000 0.000 0.198 8 Q C 1.927 178.056 176.000 0.214 0.000 0.976 8 Q CA 1.547 57.373 55.803 0.038 0.000 0.828 8 Q CB -1.048 27.652 28.738 -0.062 0.000 0.894 8 Q HN 0.236 nan 8.270 nan 0.000 0.432 9 W N 0.188 121.503 121.300 0.024 0.000 2.353 9 W HA -0.043 4.617 4.660 0.000 0.000 0.319 9 W C 2.590 179.088 176.519 -0.035 0.000 1.207 9 W CA 1.179 58.527 57.345 0.005 0.000 1.291 9 W CB -1.668 27.798 29.460 0.011 0.000 1.159 9 W HN 0.187 nan 8.180 nan 0.000 0.478 10 S N -0.210 115.622 115.700 0.219 0.000 2.378 10 S HA -0.355 4.115 4.470 0.000 0.000 0.229 10 S C 1.960 176.481 174.600 -0.132 0.000 1.052 10 S CA 2.159 60.395 58.200 0.060 0.000 1.084 10 S CB -1.011 62.226 63.200 0.062 0.000 0.950 10 S HN 0.286 nan 8.310 nan 0.000 0.440 11 Y N 0.955 121.155 120.300 -0.168 0.000 2.224 11 Y HA 0.059 4.609 4.550 0.000 0.000 0.289 11 Y C 1.967 177.654 175.900 -0.354 0.000 1.146 11 Y CA 1.751 59.695 58.100 -0.259 0.000 1.182 11 Y CB -0.201 38.184 38.460 -0.125 0.000 0.983 11 Y HN 0.263 nan 8.280 nan 0.000 0.524 12 M N -0.234 119.179 119.600 -0.311 0.000 2.495 12 M HA 0.036 4.516 4.480 0.000 0.000 0.237 12 M C -0.031 176.160 176.300 -0.181 0.000 1.131 12 M CA 0.644 55.767 55.300 -0.296 0.000 1.032 12 M CB -1.158 31.437 32.600 -0.008 0.000 1.513 12 M HN 0.411 nan 8.290 nan 0.000 0.488 13 H N -0.895 118.076 119.070 -0.164 0.000 2.936 13 H HA -0.144 4.412 4.556 0.000 0.000 0.276 13 H C 1.162 176.450 175.328 -0.067 0.000 1.216 13 H CA 0.539 56.499 56.048 -0.146 0.000 1.132 13 H CB -1.502 28.142 29.762 -0.197 0.000 1.303 13 H HN 0.294 nan 8.280 nan 0.000 0.370 14 I N -0.142 120.442 120.570 0.023 0.000 2.546 14 I HA -0.069 4.101 4.170 0.000 0.000 0.255 14 I C 1.601 177.646 176.117 -0.120 0.000 1.163 14 I CA 1.514 62.739 61.300 -0.125 0.000 1.457 14 I CB -0.342 37.454 38.000 -0.339 0.000 1.092 14 I HN 0.349 nan 8.210 nan 0.000 0.434 15 S N -1.184 114.546 115.700 0.050 0.000 2.705 15 S HA 0.799 5.269 4.470 0.000 0.000 0.280 15 S C -0.010 174.678 174.600 0.146 0.000 1.174 15 S CA 0.025 58.289 58.200 0.106 0.000 0.823 15 S CB 2.294 65.633 63.200 0.232 0.000 1.162 15 S HN 0.545 nan 8.310 nan 0.000 0.487 16 G N 0.577 109.464 108.800 0.145 0.000 2.445 16 G HA2 -0.015 3.945 3.960 0.000 0.000 0.212 16 G HA3 -0.015 3.945 3.960 0.000 0.000 0.212 16 G C -1.043 173.955 174.900 0.162 0.000 1.217 16 G CA -0.263 44.925 45.100 0.148 0.000 1.002 16 G HN 0.975 nan 8.290 nan 0.000 0.574 17 Q N 0.356 120.283 119.800 0.211 0.000 2.249 17 Q HA 0.499 4.839 4.340 0.000 0.000 0.226 17 Q C -0.516 175.653 176.000 0.281 0.000 0.983 17 Q CA -0.691 55.244 55.803 0.219 0.000 0.930 17 Q CB 0.857 29.732 28.738 0.229 0.000 1.193 17 Q HN 0.540 nan 8.270 nan 0.000 0.508 18 D N -0.342 120.149 120.400 0.153 0.000 2.354 18 D HA 0.148 4.788 4.640 0.000 0.000 0.247 18 D C 0.605 176.829 176.300 -0.127 0.000 1.138 18 D CA 0.018 54.054 54.000 0.061 0.000 0.958 18 D CB 1.333 42.127 40.800 -0.010 0.000 1.144 18 D HN 0.675 nan 8.370 nan 0.000 0.458 19 A N 1.057 123.659 122.820 -0.364 0.000 1.948 19 A HA -0.223 4.097 4.320 0.000 0.000 0.220 19 A C 2.008 179.211 177.584 -0.635 0.000 1.177 19 A CA 2.413 53.897 52.037 -0.921 0.000 0.636 19 A CB -0.709 17.951 19.000 -0.568 0.000 0.815 19 A HN 0.569 nan 8.150 nan 0.000 0.449 20 S N -0.709 114.794 115.700 -0.329 0.000 2.500 20 S HA -0.126 4.344 4.470 0.000 0.000 0.239 20 S C 1.398 175.895 174.600 -0.173 0.000 0.989 20 S CA 1.413 59.478 58.200 -0.224 0.000 0.951 20 S CB -0.217 62.903 63.200 -0.133 0.000 0.759 20 S HN 0.737 nan 8.310 nan 0.000 0.523 21 E N 0.108 120.214 120.200 -0.156 0.000 2.207 21 E HA 0.088 4.438 4.350 0.000 0.000 0.197 21 E C 1.517 178.111 176.600 -0.009 0.000 0.914 21 E CA 0.493 56.863 56.400 -0.050 0.000 0.914 21 E CB -0.267 29.446 29.700 0.021 0.000 0.893 21 E HN 0.768 nan 8.360 nan 0.000 0.479 22 Y N 1.279 121.579 120.300 0.001 0.000 2.578 22 Y HA 0.292 4.842 4.550 0.000 0.000 0.297 22 Y C 0.073 175.975 175.900 0.002 0.000 1.176 22 Y CA 0.056 58.188 58.100 0.052 0.000 1.315 22 Y CB -0.242 38.329 38.460 0.185 0.000 1.031 22 Y HN -0.192 nan 8.280 nan 0.000 0.524 23 L N 1.801 122.765 121.223 -0.433 0.000 2.322 23 L HA 0.343 4.683 4.340 0.000 0.000 0.281 23 L C 0.350 177.081 176.870 -0.232 0.000 1.014 23 L CA -1.218 53.354 54.840 -0.446 0.000 0.815 23 L CB 1.619 43.197 42.059 -0.802 0.000 1.247 23 L HN 0.238 nan 8.230 nan 0.000 0.421 24 S N 2.277 117.892 115.700 -0.141 0.000 2.817 24 S HA -0.052 4.418 4.470 0.000 0.000 0.333 24 S C -1.848 172.691 174.600 -0.101 0.000 1.227 24 S CA -0.723 57.426 58.200 -0.085 0.000 1.027 24 S CB 0.137 63.300 63.200 -0.062 0.000 0.732 24 S HN 0.479 nan 8.310 nan 0.000 0.499 25 P HA -0.045 nan 4.420 nan 0.000 0.214 25 P C 1.884 179.160 177.300 -0.040 0.000 1.163 25 P CA 1.767 64.836 63.100 -0.052 0.000 0.889 25 P CB -0.529 31.155 31.700 -0.028 0.000 0.790 26 G N 0.147 108.933 108.800 -0.025 0.000 2.446 26 G HA2 -0.274 3.686 3.960 0.000 0.000 0.217 26 G HA3 -0.274 3.686 3.960 0.000 0.000 0.217 26 G C 1.479 176.386 174.900 0.012 0.000 1.168 26 G CA 0.905 46.005 45.100 -0.001 0.000 0.771 26 G HN 0.253 nan 8.290 nan 0.000 0.551 27 L N 1.034 122.236 121.223 -0.033 0.000 2.046 27 L HA -0.034 4.306 4.340 0.000 0.000 0.208 27 L C 2.863 179.727 176.870 -0.010 0.000 1.077 27 L CA 1.618 56.436 54.840 -0.036 0.000 0.747 27 L CB -0.784 41.196 42.059 -0.133 0.000 0.896 27 L HN 0.089 nan 8.230 nan 0.000 0.432 28 V N -0.066 119.793 119.914 -0.091 0.000 2.287 28 V HA -0.358 3.762 4.120 0.000 0.000 0.248 28 V C 2.677 178.755 176.094 -0.027 0.000 1.053 28 V CA 2.152 64.391 62.300 -0.102 0.000 1.027 28 V CB -0.862 30.879 31.823 -0.136 0.000 0.646 28 V HN 0.687 nan 8.190 nan 0.000 0.447 29 Q N -0.750 119.053 119.800 0.005 0.000 2.084 29 Q HA -0.254 4.086 4.340 0.000 0.000 0.202 29 Q C 2.130 178.162 176.000 0.054 0.000 0.978 29 Q CA 2.201 58.016 55.803 0.020 0.000 0.844 29 Q CB -0.233 28.523 28.738 0.030 0.000 0.898 29 Q HN 0.662 nan 8.270 nan 0.000 0.426 30 F N 0.373 120.305 119.950 -0.030 0.000 2.186 30 F HA -0.086 4.441 4.527 0.000 0.000 0.299 30 F C 1.931 177.723 175.800 -0.014 0.000 1.090 30 F CA 1.366 59.363 58.000 -0.005 0.000 1.307 30 F CB -0.330 38.679 39.000 0.016 0.000 1.019 30 F HN 0.132 nan 8.300 nan 0.000 0.489 31 A N 0.453 123.332 122.820 0.098 0.000 1.969 31 A HA -0.153 4.167 4.320 0.000 0.000 0.218 31 A C 2.338 179.843 177.584 -0.130 0.000 1.169 31 A CA 1.467 53.501 52.037 -0.005 0.000 0.635 31 A CB -0.783 18.251 19.000 0.057 0.000 0.810 31 A HN 0.489 nan 8.150 nan 0.000 0.445 32 R N -0.572 119.860 120.500 -0.112 0.000 2.115 32 R HA 0.030 4.370 4.340 0.000 0.000 0.226 32 R C 2.080 178.285 176.300 -0.160 0.000 1.100 32 R CA 1.195 57.225 56.100 -0.115 0.000 0.980 32 R CB -0.245 30.009 30.300 -0.077 0.000 0.875 32 R HN 0.419 nan 8.270 nan 0.000 0.445 33 A N -0.085 122.611 122.820 -0.207 0.000 2.021 33 A HA -0.036 4.284 4.320 0.000 0.000 0.216 33 A C 1.828 179.183 177.584 -0.381 0.000 1.163 33 A CA 1.262 53.166 52.037 -0.220 0.000 0.676 33 A CB -0.241 18.662 19.000 -0.162 0.000 0.818 33 A HN 0.514 nan 8.150 nan 0.000 0.453 34 T N -2.282 111.913 114.554 -0.599 0.000 3.129 34 T HA 0.088 4.438 4.350 0.000 0.000 0.251 34 T C 0.970 175.277 174.700 -0.654 0.000 1.117 34 T CA 0.781 62.327 62.100 -0.923 0.000 1.034 34 T CB -0.009 68.298 68.868 -0.935 0.000 0.968 34 T HN 0.341 nan 8.240 nan 0.000 0.526 35 E N 2.422 122.390 120.200 -0.386 0.000 2.453 35 E HA -0.058 4.292 4.350 0.000 0.000 0.207 35 E C 1.357 177.822 176.600 -0.224 0.000 1.212 35 E CA 0.908 57.162 56.400 -0.243 0.000 0.959 35 E CB -0.804 28.800 29.700 -0.160 0.000 0.957 35 E HN 0.820 nan 8.360 nan 0.000 0.540 36 T N -3.528 110.819 114.554 -0.345 0.000 3.330 36 T HA 0.028 4.378 4.350 0.000 0.000 0.240 36 T C 1.662 176.315 174.700 -0.078 0.000 0.988 36 T CA 0.360 62.358 62.100 -0.171 0.000 1.253 36 T CB -0.726 68.117 68.868 -0.043 0.000 1.163 36 T HN 0.282 nan 8.240 nan 0.000 0.382 37 Y N 0.553 120.869 120.300 0.027 0.000 2.190 37 Y HA 0.601 5.151 4.550 0.000 0.000 0.290 37 Y C 0.826 176.833 175.900 0.178 0.000 1.115 37 Y CA -0.919 57.233 58.100 0.086 0.000 1.107 37 Y CB -0.461 38.052 38.460 0.087 0.000 1.033 37 Y HN 0.161 nan 8.280 nan 0.000 0.502 38 F N 1.446 121.315 119.950 -0.135 0.000 2.420 38 F HA 0.541 5.068 4.527 0.000 0.000 0.342 38 F C -0.169 175.558 175.800 -0.123 0.000 1.113 38 F CA -1.519 56.466 58.000 -0.024 0.000 1.059 38 F CB 1.634 40.721 39.000 0.145 0.000 1.128 38 F HN -0.087 nan 8.300 nan 0.000 0.475 39 S N 5.872 121.404 115.700 -0.279 0.000 2.530 39 S HA 0.511 4.981 4.470 0.000 0.000 0.322 39 S C 0.276 174.773 174.600 -0.172 0.000 1.085 39 S CA -0.580 57.508 58.200 -0.186 0.000 1.096 39 S CB 0.476 63.578 63.200 -0.163 0.000 0.988 39 S HN 0.718 nan 8.310 nan 0.000 0.466 40 L N 4.426 125.652 121.223 0.005 0.000 2.693 40 L HA 0.252 4.592 4.340 0.000 0.000 0.235 40 L C 1.749 178.727 176.870 0.179 0.000 1.127 40 L CA -0.169 54.748 54.840 0.127 0.000 0.914 40 L CB -0.168 42.108 42.059 0.362 0.000 1.193 40 L HN 0.512 nan 8.230 nan 0.000 0.502 41 N N 1.703 120.455 118.700 0.088 0.000 2.104 41 N HA -0.196 4.544 4.740 0.000 0.000 0.190 41 N C 1.458 177.009 175.510 0.068 0.000 1.024 41 N CA 1.700 54.807 53.050 0.095 0.000 0.853 41 N CB -0.474 38.020 38.487 0.012 0.000 1.008 41 N HN 0.496 nan 8.380 nan 0.000 0.424 42 N N 1.368 120.057 118.700 -0.018 0.000 2.571 42 N HA -0.086 4.654 4.740 0.000 0.000 0.189 42 N C 0.510 175.946 175.510 -0.122 0.000 1.154 42 N CA 0.541 53.558 53.050 -0.056 0.000 0.907 42 N CB 0.037 38.480 38.487 -0.074 0.000 0.977 42 N HN 0.158 nan 8.380 nan 0.000 0.449 43 K N -0.202 120.067 120.400 -0.218 0.000 2.367 43 K HA 0.146 4.466 4.320 0.000 0.000 0.194 43 K C -0.499 175.616 176.600 -0.807 0.000 1.027 43 K CA 0.100 56.053 56.287 -0.557 0.000 1.075 43 K CB 0.269 32.270 32.500 -0.831 0.000 0.845 43 K HN 0.173 nan 8.250 nan 0.000 0.529 44 F N 1.111 121.053 119.950 -0.013 0.000 2.536 44 F HA 0.355 4.882 4.527 0.000 0.000 0.322 44 F C 0.395 176.190 175.800 -0.009 0.000 1.144 44 F CA -1.435 56.570 58.000 0.008 0.000 0.924 44 F CB 1.270 40.242 39.000 -0.047 0.000 1.181 44 F HN -0.290 nan 8.300 nan 0.000 0.438 45 R N 2.447 123.042 120.500 0.159 0.000 2.590 45 R HA 0.259 4.599 4.340 0.000 0.000 0.274 45 R C -0.951 175.399 176.300 0.082 0.000 1.061 45 R CA 0.071 56.222 56.100 0.085 0.000 1.081 45 R CB 0.121 30.464 30.300 0.072 0.000 0.984 45 R HN 0.592 nan 8.270 nan 0.000 0.448 46 N N 6.271 125.003 118.700 0.054 0.000 2.524 46 N HA 0.306 5.046 4.740 0.000 0.000 0.261 46 N C -2.549 172.985 175.510 0.040 0.000 0.998 46 N CA -1.328 51.751 53.050 0.048 0.000 0.915 46 N CB 1.918 40.414 38.487 0.016 0.000 1.187 46 N HN 0.536 nan 8.380 nan 0.000 0.507 47 P HA 0.121 nan 4.420 nan 0.000 0.272 47 P C -0.546 176.761 177.300 0.012 0.000 1.223 47 P CA -0.092 63.025 63.100 0.029 0.000 0.784 47 P CB 0.770 32.502 31.700 0.054 0.000 0.923 48 T N -1.317 113.228 114.554 -0.016 0.000 2.879 48 T HA 0.542 4.892 4.350 0.000 0.000 0.290 48 T C -0.526 174.155 174.700 -0.033 0.000 0.993 48 T CA -0.696 61.395 62.100 -0.016 0.000 0.975 48 T CB 0.851 69.707 68.868 -0.019 0.000 0.981 48 T HN 0.158 nan 8.240 nan 0.000 0.439 49 V N 2.105 122.011 119.914 -0.014 0.000 2.540 49 V HA 0.810 4.930 4.120 0.000 0.000 0.302 49 V C 0.424 176.518 176.094 0.000 0.000 1.035 49 V CA -1.129 61.162 62.300 -0.016 0.000 0.873 49 V CB 1.593 33.424 31.823 0.014 0.000 0.992 49 V HN 1.275 nan 8.190 nan 0.000 0.428 50 A N 6.378 129.196 122.820 -0.003 0.000 2.327 50 A HA 0.826 5.146 4.320 0.000 0.000 0.283 50 A C -1.714 175.882 177.584 0.019 0.000 1.127 50 A CA -1.243 50.798 52.037 0.007 0.000 0.810 50 A CB -0.030 18.973 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 0.524 63.611 63.100 -0.022 0.000 0.788 51 P CB 0.349 31.996 31.700 -0.087 0.000 0.904 52 T N -3.303 111.285 114.554 0.056 0.000 3.460 52 T HA 0.243 4.593 4.350 0.000 0.000 0.304 52 T C 0.077 174.911 174.700 0.223 0.000 0.991 52 T CA -0.507 61.674 62.100 0.135 0.000 0.975 52 T CB -0.856 68.114 68.868 0.169 0.000 1.196 52 T HN 0.887 nan 8.240 nan 0.000 0.490 53 H N -1.562 117.535 119.070 0.045 0.000 3.093 53 H HA 0.307 4.863 4.556 0.000 0.000 0.312 53 H C -1.638 173.720 175.328 0.051 0.000 1.213 53 H CA -0.533 55.540 56.048 0.042 0.000 1.366 53 H CB 0.129 29.913 29.762 0.037 0.000 1.998 53 H HN 0.017 nan 8.280 nan 0.000 0.522 54 D N 1.260 121.710 120.400 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 55.215 54.000 0.049 0.000 0.708 54 D CB -1.516 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 -1.928 118.027 119.914 0.069 0.000 3.837 55 V HA 0.129 4.249 4.120 0.000 0.000 0.182 55 V C 0.912 177.131 176.094 0.208 0.000 1.356 55 V CA 1.067 63.452 62.300 0.141 0.000 1.260 55 V CB 0.892 32.776 31.823 0.102 0.000 1.287 55 V HN 0.132 nan 8.190 nan 0.000 0.572 56 T N 0.800 115.410 114.554 0.094 0.000 2.940 56 T HA 0.494 4.844 4.350 0.000 0.000 0.288 56 T C -0.301 174.389 174.700 -0.016 0.000 1.033 56 T CA -0.017 62.093 62.100 0.016 0.000 1.033 56 T CB 2.013 70.848 68.868 -0.054 0.000 1.079 56 T HN 0.359 nan 8.240 nan 0.000 0.496 57 T N 0.364 114.875 114.554 -0.072 0.000 2.922 57 T HA 0.228 4.578 4.350 0.000 0.000 0.285 57 T C 0.208 174.833 174.700 -0.125 0.000 1.005 57 T CA -0.655 61.345 62.100 -0.167 0.000 1.061 57 T CB 0.429 69.094 68.868 -0.338 0.000 1.007 57 T HN 0.449 nan 8.240 nan 0.000 0.502 58 D N 1.497 121.821 120.400 -0.126 0.000 2.366 58 D HA 0.100 4.740 4.640 0.000 0.000 0.205 58 D C 1.071 177.330 176.300 -0.069 0.000 1.022 58 D CA 0.209 54.166 54.000 -0.072 0.000 0.868 58 D CB 0.113 40.886 40.800 -0.044 0.000 0.953 58 D HN 0.643 nan 8.370 nan 0.000 0.514 59 R N 0.539 120.975 120.500 -0.105 0.000 2.560 59 R HA 0.355 4.695 4.340 0.000 0.000 0.270 59 R C 0.349 176.629 176.300 -0.032 0.000 1.074 59 R CA -0.479 55.588 56.100 -0.055 0.000 1.140 59 R CB 0.752 31.031 30.300 -0.035 0.000 1.073 59 R HN -0.214 nan 8.270 nan 0.000 0.527 60 S N 0.828 116.525 115.700 -0.006 0.000 2.552 60 S HA -0.016 4.455 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 0.018 58.216 58.200 -0.002 0.000 1.063 60 S CB 0.193 63.394 63.200 0.001 0.000 0.848 60 S HN 0.617 nan 8.310 nan 0.000 0.499 61 Q N 2.906 122.705 119.800 -0.002 0.000 2.403 61 Q HA 0.290 4.630 4.340 0.000 0.000 0.267 61 Q C -1.434 174.556 176.000 -0.016 0.000 0.991 61 Q CA -0.671 55.130 55.803 -0.004 0.000 0.906 61 Q CB 1.210 29.963 28.738 0.026 0.000 1.422 61 Q HN 0.777 nan 8.270 nan 0.000 0.400 62 R N 2.855 123.334 120.500 -0.036 0.000 2.390 62 R HA 0.268 4.608 4.340 0.000 0.000 0.291 62 R C 0.836 177.148 176.300 0.020 0.000 1.070 62 R CA -0.067 56.022 56.100 -0.018 0.000 1.014 62 R CB 0.799 31.075 30.300 -0.041 0.000 1.007 62 R HN 0.632 nan 8.270 nan 0.000 0.466 63 L N 1.013 122.273 121.223 0.062 0.000 2.162 63 L HA 0.008 4.348 4.340 0.000 0.000 0.205 63 L C 0.242 177.242 176.870 0.217 0.000 1.086 63 L CA 1.215 56.129 54.840 0.123 0.000 0.778 63 L CB 0.423 42.529 42.059 0.078 0.000 0.928 63 L HN 0.623 nan 8.230 nan 0.000 0.446 64 T N 0.650 115.309 114.554 0.175 0.000 2.841 64 T HA 0.479 4.829 4.350 0.000 0.000 0.285 64 T C -0.498 174.287 174.700 0.143 0.000 0.991 64 T CA -0.395 61.837 62.100 0.220 0.000 0.966 64 T CB 1.949 70.947 68.868 0.218 0.000 0.962 64 T HN -0.106 nan 8.240 nan 0.000 0.438 65 L N 2.742 124.049 121.223 0.139 0.000 2.331 65 L HA 0.671 5.011 4.340 0.000 0.000 0.275 65 L C 0.286 176.919 176.870 -0.394 0.000 1.022 65 L CA -1.041 53.708 54.840 -0.153 0.000 0.812 65 L CB 1.859 43.802 42.059 -0.193 0.000 1.257 65 L HN 0.379 nan 8.230 nan 0.000 0.435 66 R N 1.723 121.833 120.500 -0.650 0.000 2.480 66 R HA 0.574 4.914 4.340 0.000 0.000 0.306 66 R C -1.719 174.132 176.300 -0.748 0.000 0.958 66 R CA -0.458 55.163 56.100 -0.799 0.000 0.861 66 R CB 1.226 31.119 30.300 -0.679 0.000 1.171 66 R HN 0.333 nan 8.270 nan 0.000 0.445 67 F N 4.496 124.333 119.950 -0.189 0.000 2.469 67 F HA 0.480 5.007 4.527 0.000 0.000 0.332 67 F C 0.278 176.188 175.800 0.183 0.000 1.103 67 F CA -0.993 57.029 58.000 0.037 0.000 0.979 67 F CB 1.373 40.445 39.000 0.120 0.000 1.137 67 F HN 0.151 nan 8.300 nan 0.000 0.463 68 I N 3.214 124.010 120.570 0.376 0.000 2.498 68 I HA 0.345 4.515 4.170 0.000 0.000 0.301 68 I C -2.279 173.994 176.117 0.260 0.000 0.984 68 I CA -2.981 58.495 61.300 0.293 0.000 1.204 68 I CB 1.298 39.377 38.000 0.131 0.000 1.362 68 I HN 0.265 nan 8.210 nan 0.000 0.471 69 P HA 0.024 nan 4.420 nan 0.000 0.268 69 P C 0.747 177.933 177.300 -0.189 0.000 1.204 69 P CA 0.157 62.991 63.100 -0.444 0.000 0.768 69 P CB 0.975 32.415 31.700 -0.433 0.000 0.842 70 V N 1.734 121.535 119.914 -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 63.691 62.300 -0.082 0.000 1.112 70 V CB -0.386 31.420 31.823 -0.029 0.000 0.738 70 V HN 0.608 nan 8.190 nan 0.000 0.469 71 D N -0.714 119.578 120.400 -0.180 0.000 2.886 71 D HA 0.445 5.085 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 1.412 42.131 40.800 -0.136 0.000 1.669 71 D HN 0.183 nan 8.370 nan 0.000 0.513 72 R N 2.206 122.573 120.500 -0.221 0.000 2.686 72 R HA 0.574 4.914 4.340 0.000 0.000 0.283 72 R C -0.872 175.233 176.300 -0.325 0.000 0.978 72 R CA -0.871 55.044 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 0.340 nan 8.270 nan 0.000 0.457 73 E N 1.623 121.548 120.200 -0.458 0.000 2.580 73 E HA 0.062 4.412 4.350 0.000 0.000 0.248 73 E C -1.616 174.710 176.600 -0.457 0.000 1.018 73 E CA -0.481 55.701 56.400 -0.362 0.000 0.775 73 E CB 1.494 31.040 29.700 -0.256 0.000 1.378 73 E HN 0.348 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 -0.492 175.773 176.300 -0.059 0.000 1.213 74 D CA 0.473 54.392 54.000 -0.135 0.000 0.870 74 D CB 0.831 41.731 40.800 0.167 0.000 1.076 74 D HN 0.102 nan 8.370 nan 0.000 0.483 75 T N 1.987 116.506 114.554 -0.058 0.000 2.919 75 T HA 0.544 4.894 4.350 0.000 0.000 0.282 75 T C 1.449 176.066 174.700 -0.139 0.000 1.020 75 T CA -0.065 61.952 62.100 -0.138 0.000 0.994 75 T CB 1.405 70.126 68.868 -0.245 0.000 1.180 75 T HN 0.334 nan 8.240 nan 0.000 0.566 76 A N 0.521 123.198 122.820 -0.237 0.000 1.896 76 A HA -0.164 4.156 4.320 0.000 0.000 0.220 76 A C 1.500 179.014 177.584 -0.117 0.000 1.206 76 A CA 2.475 54.397 52.037 -0.193 0.000 0.647 76 A CB -0.945 17.924 19.000 -0.219 0.000 0.828 76 A HN 0.956 nan 8.150 nan 0.000 0.455 77 Y N -2.119 118.180 120.300 -0.001 0.000 2.563 77 Y HA 0.521 5.071 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 -0.554 57.587 58.100 0.068 0.000 1.231 77 Y CB -0.545 37.893 38.460 -0.037 0.000 1.288 77 Y HN 0.359 nan 8.280 nan 0.000 0.537 78 S N -0.880 114.907 115.700 0.146 0.000 2.618 78 S HA 0.639 5.109 4.470 0.000 0.000 0.277 78 S C -1.934 172.859 174.600 0.322 0.000 1.138 78 S CA -0.706 57.719 58.200 0.374 0.000 0.844 78 S CB 2.295 65.723 63.200 0.380 0.000 1.127 78 S HN 0.242 nan 8.310 nan 0.000 0.474 79 Y N 0.660 121.134 120.300 0.291 0.000 2.391 79 Y HA 0.679 5.229 4.550 0.000 0.000 0.341 79 Y C -0.564 175.448 175.900 0.188 0.000 0.965 79 Y CA -0.524 57.705 58.100 0.215 0.000 1.067 79 Y CB 1.789 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 4.135 124.417 120.400 -0.198 0.000 2.345 80 K HA 0.888 5.208 4.320 0.000 0.000 0.255 80 K C -1.820 174.647 176.600 -0.222 0.000 0.934 80 K CA -0.681 55.536 56.287 -0.116 0.000 0.801 80 K CB 1.239 33.637 32.500 -0.169 0.000 1.137 80 K HN 0.697 nan 8.250 nan 0.000 0.424 81 A N 4.282 127.062 122.820 -0.066 0.000 2.374 81 A HA 0.576 4.896 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 20.193 19.000 -0.118 0.000 1.229 81 A HN 0.802 nan 8.150 nan 0.000 0.431 82 R N 1.645 121.895 120.500 -0.416 0.000 2.562 82 R HA 0.738 5.078 4.340 0.000 0.000 0.298 82 R C -1.736 174.309 176.300 -0.425 0.000 0.961 82 R CA -0.334 55.619 56.100 -0.245 0.000 0.881 82 R CB 0.982 31.207 30.300 -0.125 0.000 1.159 82 R HN 0.619 nan 8.270 nan 0.000 0.450 83 F N -0.044 119.971 119.950 0.109 0.000 2.593 83 F HA 0.382 4.909 4.527 0.000 0.000 0.320 83 F C 0.207 176.063 175.800 0.093 0.000 1.060 83 F CA -0.834 57.237 58.000 0.119 0.000 0.940 83 F CB 2.473 41.569 39.000 0.159 0.000 1.268 83 F HN 0.244 nan 8.300 nan 0.000 0.475 84 T N 3.384 118.087 114.554 0.247 0.000 3.042 84 T HA 0.293 4.643 4.350 0.000 0.000 0.356 84 T C -0.760 173.911 174.700 -0.048 0.000 1.233 84 T CA -0.321 61.855 62.100 0.125 0.000 1.038 84 T CB 0.078 69.015 68.868 0.114 0.000 1.089 84 T HN 0.351 nan 8.240 nan 0.000 0.531 85 L N 4.412 125.575 121.223 -0.100 0.000 2.385 85 L HA 0.601 4.941 4.340 0.000 0.000 0.281 85 L C 0.096 176.911 176.870 -0.093 0.000 1.106 85 L CA -0.334 54.258 54.840 -0.414 0.000 0.856 85 L CB -0.653 41.285 42.059 -0.201 0.000 1.186 85 L HN 0.581 nan 8.230 nan 0.000 0.453 86 A N 5.332 128.103 122.820 -0.082 0.000 2.271 86 A HA 0.634 4.954 4.320 0.000 0.000 0.317 86 A C -0.538 177.230 177.584 0.307 0.000 1.245 86 A CA -0.579 51.565 52.037 0.178 0.000 0.857 86 A CB 0.975 20.104 19.000 0.215 0.000 1.175 86 A HN 0.502 nan 8.150 nan 0.000 0.512 87 V N 4.091 124.188 119.914 0.306 0.000 2.218 87 V HA 0.335 4.455 4.120 0.000 0.000 0.261 87 V C 1.331 177.536 176.094 0.185 0.000 1.142 87 V CA -0.035 62.478 62.300 0.355 0.000 0.965 87 V CB 0.015 32.083 31.823 0.409 0.000 1.190 87 V HN 1.148 nan 8.190 nan 0.000 0.478 88 G N 3.169 112.012 108.800 0.071 0.000 3.026 88 G HA2 -0.058 3.902 3.960 0.000 0.000 0.232 88 G HA3 -0.058 3.902 3.960 0.000 0.000 0.232 88 G C 0.116 175.015 174.900 -0.001 0.000 1.241 88 G CA -0.216 44.882 45.100 -0.004 0.000 0.858 88 G HN 0.613 nan 8.290 nan 0.000 0.592 89 D N 0.351 120.729 120.400 -0.036 0.000 2.352 89 D HA -0.053 4.587 4.640 0.000 0.000 0.238 89 D C 0.810 177.041 176.300 -0.114 0.000 1.286 89 D CA 0.235 54.205 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 0.500 nan 8.370 nan 0.000 0.471 90 N N 0.194 118.829 118.700 -0.109 0.000 2.666 90 N HA -0.240 4.500 4.740 0.000 0.000 0.248 90 N C -0.468 175.018 175.510 -0.041 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 0.430 nan 8.380 nan 0.000 0.550 91 R N -0.698 119.829 120.500 0.045 0.000 2.808 91 R HA 0.726 5.066 4.340 0.000 0.000 0.272 91 R C -0.382 176.048 176.300 0.217 0.000 0.995 91 R CA -0.916 55.281 56.100 0.162 0.000 0.917 91 R CB 2.346 32.725 30.300 0.131 0.000 1.217 91 R HN -0.002 nan 8.270 nan 0.000 0.471 92 V N -0.595 119.491 119.914 0.285 0.000 2.925 92 V HA 0.718 4.838 4.120 0.000 0.000 0.311 92 V C -1.438 174.771 176.094 0.193 0.000 1.104 92 V CA -1.058 61.362 62.300 0.201 0.000 0.954 92 V CB 2.002 33.895 31.823 0.117 0.000 1.022 92 V HN 0.580 nan 8.190 nan 0.000 0.427 93 L N 2.390 123.631 121.223 0.029 0.000 2.381 93 L HA 0.686 5.026 4.340 0.000 0.000 0.274 93 L C -0.700 176.065 176.870 -0.174 0.000 0.988 93 L CA 0.051 54.764 54.840 -0.211 0.000 0.824 93 L CB 1.643 43.475 42.059 -0.378 0.000 1.263 93 L HN 0.940 nan 8.230 nan 0.000 0.410 94 D N 5.318 125.622 120.400 -0.161 0.000 2.347 94 D HA 0.116 4.756 4.640 0.000 0.000 0.235 94 D C 1.158 177.364 176.300 -0.156 0.000 1.149 94 D CA -0.352 53.581 54.000 -0.111 0.000 0.850 94 D CB 1.153 41.924 40.800 -0.048 0.000 1.061 94 D HN 0.576 nan 8.370 nan 0.000 0.487 95 M N 2.914 122.402 119.600 -0.186 0.000 2.260 95 M HA -0.173 4.307 4.480 0.000 0.000 0.261 95 M C 1.889 178.093 176.300 -0.159 0.000 1.066 95 M CA 0.785 55.951 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 0.512 nan 8.290 nan 0.000 0.419 96 A N -0.115 122.644 122.820 -0.102 0.000 2.178 96 A HA -0.067 4.253 4.320 0.000 0.000 0.218 96 A C 2.109 179.715 177.584 0.037 0.000 1.157 96 A CA 1.704 53.717 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 -0.621 115.088 115.700 0.016 0.000 2.597 97 S HA 0.181 4.651 4.470 0.000 0.000 0.224 97 S C 0.615 175.260 174.600 0.075 0.000 0.955 97 S CA 0.309 58.567 58.200 0.098 0.000 0.933 97 S CB -0.878 62.353 63.200 0.052 0.000 0.788 97 S HN 0.599 nan 8.310 nan 0.000 0.488 98 T N -0.155 114.393 114.554 -0.011 0.000 2.945 98 T HA 0.752 5.102 4.350 0.000 0.000 0.286 98 T C -0.748 173.938 174.700 -0.024 0.000 1.025 98 T CA -0.762 61.263 62.100 -0.126 0.000 1.039 98 T CB 1.203 69.939 68.868 -0.222 0.000 1.068 98 T HN 0.696 nan 8.240 nan 0.000 0.497 99 Y N -1.615 118.612 120.300 -0.121 0.000 2.662 99 Y HA 0.631 5.181 4.550 0.000 0.000 0.334 99 Y C -2.068 173.714 175.900 -0.196 0.000 1.185 99 Y CA -2.601 55.405 58.100 -0.156 0.000 1.074 99 Y CB 0.465 39.048 38.460 0.205 0.000 1.330 99 Y HN 0.647 nan 8.280 nan 0.000 0.458 100 F N 1.791 121.927 119.950 0.310 0.000 2.411 100 F HA 0.340 4.867 4.527 0.000 0.000 0.355 100 F C 0.075 176.041 175.800 0.277 0.000 1.117 100 F CA -0.238 57.869 58.000 0.179 0.000 1.139 100 F CB 1.104 40.178 39.000 0.123 0.000 1.120 100 F HN 0.594 nan 8.300 nan 0.000 0.493 101 D N 4.804 125.497 120.400 0.489 0.000 2.317 101 D HA 0.475 5.115 4.640 0.000 0.000 0.234 101 D C -0.764 175.688 176.300 0.254 0.000 1.112 101 D CA -0.060 54.200 54.000 0.433 0.000 0.840 101 D CB 0.702 41.861 40.800 0.599 0.000 1.078 101 D HN 0.310 nan 8.370 nan 0.000 0.486 102 I N 3.748 124.415 120.570 0.161 0.000 2.465 102 I HA 0.474 4.644 4.170 0.000 0.000 0.291 102 I C -0.008 176.145 176.117 0.060 0.000 1.014 102 I CA -0.921 60.393 61.300 0.023 0.000 1.093 102 I CB 1.829 39.747 38.000 -0.136 0.000 1.267 102 I HN 0.176 nan 8.210 nan 0.000 0.431 103 R N 3.922 124.351 120.500 -0.119 0.000 2.561 103 R HA 0.831 5.171 4.340 0.000 0.000 0.297 103 R C -0.325 175.703 176.300 -0.453 0.000 0.969 103 R CA -0.747 55.164 56.100 -0.315 0.000 0.879 103 R CB 2.430 32.536 30.300 -0.323 0.000 1.178 103 R HN 0.881 nan 8.270 nan 0.000 0.445 104 G N 0.706 108.917 108.800 -0.981 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 44.203 45.100 -0.792 0.000 0.798 104 G HN 0.290 nan 8.290 nan 0.000 0.490 105 V N 0.200 119.945 119.914 -0.282 0.000 2.604 105 V HA 0.754 4.874 4.120 0.000 0.000 0.305 105 V C -0.863 175.382 176.094 0.251 0.000 1.043 105 V CA -0.683 61.608 62.300 -0.016 0.000 0.888 105 V CB 1.569 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 3.204 124.608 121.223 0.301 0.000 2.386 106 L HA 0.807 5.147 4.340 0.000 0.000 0.271 106 L C -1.214 175.697 176.870 0.067 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 0.132 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 -0.002 0.000 2.462 107 D HA 0.337 4.977 4.640 0.000 0.000 0.245 107 D C 0.450 176.653 176.300 -0.162 0.000 1.122 107 D CA -0.366 53.616 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 0.611 nan 8.370 nan 0.000 0.541 108 R N 1.942 122.267 120.500 -0.292 0.000 2.316 108 R HA 0.301 4.641 4.340 0.000 0.000 0.202 108 R C 1.327 177.499 176.300 -0.213 0.000 1.029 108 R CA 0.621 56.517 56.100 -0.340 0.000 1.018 108 R CB -0.127 29.777 30.300 -0.660 0.000 0.888 108 R HN 0.656 nan 8.270 nan 0.000 0.471 109 G N 0.403 109.090 108.800 -0.188 0.000 2.796 109 G HA2 -0.187 3.773 3.960 0.000 0.000 0.571 109 G HA3 -0.187 3.773 3.960 0.000 0.000 0.571 109 G C -2.053 172.763 174.900 -0.140 0.000 1.370 109 G CA -0.400 44.619 45.100 -0.134 0.000 0.856 109 G HN 0.060 nan 8.290 nan 0.000 0.538 110 P HA 0.019 nan 4.420 nan 0.000 0.241 110 P C 1.503 178.654 177.300 -0.247 0.000 1.191 110 P CA 1.961 64.977 63.100 -0.139 0.000 0.771 110 P CB 0.007 31.656 31.700 -0.084 0.000 0.929 111 T N -4.575 109.788 114.554 -0.319 0.000 3.129 111 T HA 0.062 4.412 4.350 0.000 0.000 0.251 111 T C 0.307 174.629 174.700 -0.629 0.000 1.117 111 T CA -0.525 61.150 62.100 -0.710 0.000 1.034 111 T CB -0.964 67.526 68.868 -0.630 0.000 0.968 111 T HN -0.135 nan 8.240 nan 0.000 0.526 112 F N 2.801 122.473 119.950 -0.463 0.000 2.472 112 F HA 0.509 5.036 4.527 0.000 0.000 0.364 112 F C 0.240 175.797 175.800 -0.404 0.000 1.090 112 F CA -1.276 56.498 58.000 -0.376 0.000 1.188 112 F CB 0.522 39.356 39.000 -0.277 0.000 1.105 112 F HN 0.023 nan 8.300 nan 0.000 0.536 113 K N 9.198 128.981 120.400 -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 -1.694 53.929 56.287 -1.106 0.000 1.045 113 K CB 1.351 33.372 32.500 -0.797 0.000 1.227 113 K HN 0.299 nan 8.250 nan 0.000 0.516 114 P HA 0.001 nan 4.420 nan 0.000 0.269 114 P C -1.424 175.660 177.300 -0.361 0.000 1.601 114 P CA 0.200 62.774 63.100 -0.876 0.000 0.831 114 P CB -0.703 30.794 31.700 -0.339 0.000 1.688 115 Y N -5.025 114.970 120.300 -0.507 0.000 2.717 115 Y HA 0.496 5.046 4.550 0.000 0.000 0.345 115 Y C -1.180 174.605 175.900 -0.193 0.000 1.187 115 Y CA -1.339 56.635 58.100 -0.210 0.000 1.128 115 Y CB -0.210 38.169 38.460 -0.133 0.000 1.360 115 Y HN -0.320 nan 8.280 nan 0.000 0.467 116 S N 1.226 117.001 115.700 0.125 0.000 2.617 116 S HA 0.807 5.277 4.470 0.000 0.000 0.283 116 S C 0.418 175.123 174.600 0.175 0.000 1.189 116 S CA 0.116 58.340 58.200 0.039 0.000 1.036 116 S CB 1.006 64.217 63.200 0.019 0.000 1.014 116 S HN 1.871 nan 8.310 nan 0.000 0.522 117 G N 1.120 109.994 108.800 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 -0.269 174.732 174.900 0.168 0.000 1.321 117 G CA -0.129 45.072 45.100 0.168 0.000 0.893 117 G HN 0.966 nan 8.290 nan 0.000 0.569 118 T N -1.392 113.190 114.554 0.047 0.000 2.916 118 T HA 0.759 5.109 4.350 0.000 0.000 0.292 118 T C 1.086 175.635 174.700 -0.253 0.000 1.055 118 T CA 0.755 62.803 62.100 -0.085 0.000 1.009 118 T CB 1.532 70.181 68.868 -0.365 0.000 1.118 118 T HN 2.065 nan 8.240 nan 0.000 0.497 119 A N 2.113 124.644 122.820 -0.482 0.000 2.238 119 A HA 0.380 4.700 4.320 0.000 0.000 0.210 119 A C -0.414 176.652 177.584 -0.864 0.000 1.179 119 A CA 0.234 51.793 52.037 -0.797 0.000 0.827 119 A CB -0.187 18.154 19.000 -1.099 0.000 0.856 119 A HN 0.751 nan 8.150 nan 0.000 0.488 120 Y N 0.073 120.288 120.300 -0.141 0.000 2.326 120 Y HA 0.365 4.915 4.550 0.000 0.000 0.331 120 Y C 0.090 175.909 175.900 -0.136 0.000 0.962 120 Y CA -1.183 56.861 58.100 -0.093 0.000 1.167 120 Y CB 0.819 39.266 38.460 -0.022 0.000 1.148 120 Y HN 0.248 nan 8.280 nan 0.000 0.463 121 N N 1.096 119.841 118.700 0.075 0.000 2.725 121 N HA -0.233 4.507 4.740 0.000 0.000 0.251 121 N C 0.858 176.406 175.510 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 37.817 38.487 0.114 0.000 0.930 121 N HN 0.926 nan 8.380 nan 0.000 0.543 122 A N -0.236 122.594 122.820 0.017 0.000 2.019 122 A HA -0.030 4.290 4.320 0.000 0.000 0.219 122 A C 2.162 179.910 177.584 0.274 0.000 1.164 122 A CA 0.951 53.063 52.037 0.125 0.000 0.644 122 A CB -0.075 18.956 19.000 0.052 0.000 0.805 122 A HN 0.438 nan 8.150 nan 0.000 0.449 123 L N -0.748 120.578 121.223 0.171 0.000 2.554 123 L HA 0.145 4.485 4.340 0.000 0.000 0.226 123 L C 1.345 178.304 176.870 0.148 0.000 1.137 123 L CA -0.019 54.906 54.840 0.141 0.000 0.863 123 L CB -0.415 41.701 42.059 0.095 0.000 0.985 123 L HN 0.367 nan 8.230 nan 0.000 0.451 124 A N 0.795 123.737 122.820 0.202 0.000 2.409 124 A HA 0.398 4.718 4.320 0.000 0.000 0.262 124 A C -2.169 175.497 177.584 0.136 0.000 1.113 124 A CA -1.153 50.989 52.037 0.175 0.000 0.790 124 A CB -0.350 18.771 19.000 0.201 0.000 1.046 124 A HN -0.052 nan 8.150 nan 0.000 0.496 125 P HA 0.009 nan 4.420 nan 0.000 0.262 125 P C 0.289 177.568 177.300 -0.036 0.000 1.182 125 P CA 0.263 63.365 63.100 0.004 0.000 0.761 125 P CB 0.406 32.120 31.700 0.023 0.000 0.795 126 K N 1.988 122.283 120.400 -0.175 0.000 2.589 126 K HA -0.070 4.250 4.320 0.000 0.000 0.195 126 K C 1.625 178.168 176.600 -0.093 0.000 1.040 126 K CA 1.254 57.384 56.287 -0.262 0.000 0.950 126 K CB -0.339 31.904 32.500 -0.428 0.000 0.781 126 K HN 0.618 nan 8.250 nan 0.000 0.486 127 G N 0.209 108.984 108.800 -0.042 0.000 2.944 127 G HA2 0.196 4.156 3.960 0.000 0.000 0.223 127 G HA3 0.196 4.156 3.960 0.000 0.000 0.223 127 G C 0.133 175.045 174.900 0.022 0.000 1.071 127 G CA -0.115 44.979 45.100 -0.010 0.000 0.806 127 G HN 0.236 nan 8.290 nan 0.000 0.538 128 A N 2.087 124.936 122.820 0.048 0.000 2.520 128 A HA 0.571 4.891 4.320 0.000 0.000 0.245 128 A C -1.943 175.704 177.584 0.106 0.000 1.072 128 A CA -0.662 51.428 52.037 0.089 0.000 0.761 128 A CB 0.371 19.435 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 -0.799 176.606 177.300 0.175 0.000 1.278 129 P CA -0.877 62.298 63.100 0.125 0.000 0.834 129 P CB 0.990 32.738 31.700 0.079 0.000 1.150 130 N N 0.598 119.385 118.700 0.146 0.000 2.513 130 N HA 0.247 4.987 4.740 0.000 0.000 0.274 130 N C -2.222 173.393 175.510 0.174 0.000 1.189 130 N CA -1.363 51.768 53.050 0.135 0.000 0.975 130 N CB -0.582 37.964 38.487 0.098 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 0.170 0.000 1.185 131 P CA 0.080 63.254 63.100 0.123 0.000 0.763 131 P CB 0.198 31.921 31.700 0.038 0.000 0.776 132 C N 1.830 121.292 119.300 0.270 0.000 3.307 132 C HA 0.772 5.232 4.460 0.000 0.000 0.350 132 C C -0.934 174.270 174.990 0.358 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 0.277 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 0.667 5.017 4.350 0.000 0.000 0.275 133 E C -1.670 175.185 176.600 0.425 0.000 0.918 133 E CA -0.216 56.357 56.400 0.288 0.000 0.764 133 E CB 2.407 32.173 29.700 0.109 0.000 1.252 133 E HN 0.900 nan 8.360 nan 0.000 0.449 134 W N 0.388 121.753 121.300 0.109 0.000 2.923 134 W HA 0.583 5.243 4.660 0.000 0.000 0.373 134 W C -1.568 175.029 176.519 0.130 0.000 1.205 134 W CA -0.595 56.801 57.345 0.085 0.000 1.180 134 W CB 0.464 29.948 29.460 0.041 0.000 1.477 134 W HN 0.189 nan 8.180 nan 0.000 0.581 166 H N 0.198 118.843 119.070 -0.708 0.000 2.573 166 H HA 0.841 5.397 4.556 0.000 0.000 0.351 166 H C -0.412 174.438 175.328 -0.796 0.000 1.163 166 H CA -0.739 54.802 56.048 -0.846 0.000 1.205 166 H CB 1.451 30.432 29.762 -1.302 0.000 1.605 166 H HN 0.386 nan 8.280 nan 0.000 0.525 167 V N 2.357 122.079 119.914 -0.320 0.000 2.604 167 V HA 0.294 4.414 4.120 0.000 0.000 0.305 167 V C -1.225 174.926 176.094 0.094 0.000 1.043 167 V CA -0.793 61.437 62.300 -0.116 0.000 0.888 167 V CB 1.745 33.464 31.823 -0.173 0.000 0.995 167 V HN 0.639 nan 8.190 nan 0.000 0.429 168 F N 3.671 123.689 119.950 0.114 0.000 2.577 168 F HA 0.850 5.377 4.527 0.000 0.000 0.344 168 F C 0.203 176.055 175.800 0.088 0.000 1.145 168 F CA -0.104 57.993 58.000 0.162 0.000 0.996 168 F CB 1.313 40.511 39.000 0.331 0.000 1.248 168 F HN 0.644 nan 8.300 nan 0.000 0.447 169 G N 4.076 112.627 108.800 -0.415 0.000 2.911 169 G HA2 0.525 4.485 3.960 0.000 0.000 0.299 169 G HA3 0.525 4.485 3.960 0.000 0.000 0.299 169 G C -2.108 172.580 174.900 -0.354 0.000 1.283 169 G CA -0.769 44.141 45.100 -0.317 0.000 0.805 169 G HN 0.632 nan 8.290 nan 0.000 0.548 170 Q N -1.160 118.527 119.800 -0.188 0.000 2.309 170 Q HA 0.609 4.949 4.340 0.000 0.000 0.273 170 Q C -1.721 174.248 176.000 -0.053 0.000 1.040 170 Q CA -0.938 54.787 55.803 -0.131 0.000 0.834 170 Q CB 2.142 30.816 28.738 -0.107 0.000 1.345 170 Q HN 1.069 nan 8.270 nan 0.000 0.414 171 A N 4.698 127.500 122.820 -0.029 0.000 2.431 171 A HA 0.510 4.830 4.320 0.000 0.000 0.318 171 A C -2.249 175.358 177.584 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 0.018 177.368 177.300 0.085 0.000 1.183 172 P CA 0.455 63.590 63.100 0.059 0.000 0.813 172 P CB 0.115 31.851 31.700 0.061 0.000 0.944 173 Y N 1.547 121.850 120.300 0.005 0.000 2.335 173 Y HA 0.365 4.915 4.550 0.000 0.000 0.331 173 Y C 0.287 176.200 175.900 0.021 0.000 1.094 173 Y CA -0.397 57.706 58.100 0.004 0.000 1.253 173 Y CB 0.717 39.170 38.460 -0.012 0.000 1.203 173 Y HN -0.211 nan 8.280 nan 0.000 0.508 174 S N 5.104 120.400 115.700 -0.673 0.000 2.420 174 S HA 0.675 5.145 4.470 0.000 0.000 0.313 174 S C 0.023 174.258 174.600 -0.607 0.000 1.079 174 S CA -0.218 57.723 58.200 -0.431 0.000 1.104 174 S CB -0.308 62.732 63.200 -0.266 0.000 0.969 174 S HN 1.054 nan 8.310 nan 0.000 0.471 175 G N 3.531 112.210 108.800 -0.202 0.000 2.552 175 G HA2 0.512 4.472 3.960 0.000 0.000 0.318 175 G HA3 0.512 4.472 3.960 0.000 0.000 0.318 175 G C 0.823 175.697 174.900 -0.043 0.000 1.240 175 G CA -0.811 44.265 45.100 -0.040 0.000 1.002 175 G HN 0.697 nan 8.290 nan 0.000 0.493 176 I N -0.546 119.979 120.570 -0.076 0.000 2.193 176 I HA 0.008 4.178 4.170 0.000 0.000 0.240 176 I C 0.980 176.850 176.117 -0.411 0.000 1.084 176 I CA 1.067 62.265 61.300 -0.170 0.000 1.365 176 I CB 0.063 37.977 38.000 -0.143 0.000 1.064 176 I HN 0.457 nan 8.210 nan 0.000 0.410 177 N N -0.976 117.511 118.700 -0.355 0.000 2.825 177 N HA 0.484 5.224 4.740 0.000 0.000 0.253 177 N C -1.569 173.935 175.510 -0.010 0.000 1.426 177 N CA -0.591 52.151 53.050 -0.514 0.000 0.851 177 N CB 1.677 39.977 38.487 -0.313 0.000 1.470 177 N HN -0.058 nan 8.380 nan 0.000 0.517 178 I N 1.250 121.955 120.570 0.226 0.000 2.447 178 I HA 0.422 4.592 4.170 0.000 0.000 0.287 178 I C -0.162 176.128 176.117 0.288 0.000 1.023 178 I CA -0.514 60.989 61.300 0.338 0.000 1.083 178 I CB 1.823 40.064 38.000 0.402 0.000 1.245 178 I HN 0.712 nan 8.210 nan 0.000 0.434 179 T N 1.103 115.852 114.554 0.326 0.000 2.742 179 T HA 0.360 4.710 4.350 0.000 0.000 0.282 179 T C 0.628 175.404 174.700 0.127 0.000 1.025 179 T CA -0.727 61.479 62.100 0.177 0.000 1.020 179 T CB 1.747 70.732 68.868 0.195 0.000 1.317 179 T HN 0.384 nan 8.240 nan 0.000 0.538 180 K N 0.382 120.741 120.400 -0.068 0.000 2.442 180 K HA 0.001 4.321 4.320 0.000 0.000 0.198 180 K C 1.678 178.305 176.600 0.045 0.000 1.044 180 K CA 1.239 57.463 56.287 -0.105 0.000 0.948 180 K CB -0.380 32.019 32.500 -0.170 0.000 0.762 180 K HN 0.564 nan 8.250 nan 0.000 0.472 181 E N -0.289 119.839 120.200 -0.120 0.000 2.435 181 E HA 0.100 4.450 4.350 0.000 0.000 0.195 181 E C 0.890 177.355 176.600 -0.225 0.000 1.029 181 E CA 0.766 56.898 56.400 -0.447 0.000 0.865 181 E CB 0.229 29.065 29.700 -1.440 0.000 0.833 181 E HN 0.426 nan 8.360 nan 0.000 0.510 182 G N 1.674 110.559 108.800 0.141 0.000 2.384 182 G HA2 -0.191 3.769 3.960 0.000 0.000 0.204 182 G HA3 -0.191 3.769 3.960 0.000 0.000 0.204 182 G C -0.285 174.882 174.900 0.445 0.000 1.237 182 G CA -0.422 44.825 45.100 0.244 0.000 1.060 182 G HN 0.216 nan 8.290 nan 0.000 0.514 183 I N -1.407 119.419 120.570 0.427 0.000 2.474 183 I HA 0.656 4.826 4.170 0.000 0.000 0.287 183 I C 0.267 176.550 176.117 0.276 0.000 1.048 183 I CA -0.510 61.000 61.300 0.351 0.000 1.383 183 I CB 1.402 39.595 38.000 0.322 0.000 1.412 183 I HN 0.686 nan 8.210 nan 0.000 0.531 184 Q N 6.169 126.025 119.800 0.093 0.000 2.296 184 Q HA 0.346 4.686 4.340 0.000 0.000 0.257 184 Q C 0.531 176.509 176.000 -0.037 0.000 0.942 184 Q CA -0.556 55.135 55.803 -0.187 0.000 0.939 184 Q CB 1.442 29.974 28.738 -0.342 0.000 1.198 184 Q HN 0.934 nan 8.270 nan 0.000 0.429 185 I N 0.559 121.103 120.570 -0.043 0.000 3.793 185 I HA 0.476 4.646 4.170 0.000 0.000 0.315 185 I C 0.629 176.748 176.117 0.004 0.000 1.275 185 I CA 0.205 61.536 61.300 0.052 0.000 1.214 185 I CB 0.242 38.236 38.000 -0.009 0.000 1.018 185 I HN 0.651 nan 8.210 nan 0.000 0.439 186 G N 1.375 110.129 108.800 -0.076 0.000 2.398 186 G HA2 0.357 4.317 3.960 0.000 0.000 0.251 186 G HA3 0.357 4.317 3.960 0.000 0.000 0.251 186 G C -1.155 173.678 174.900 -0.111 0.000 1.277 186 G CA 0.045 45.102 45.100 -0.072 0.000 0.927 186 G HN 0.723 nan 8.290 nan 0.000 0.477 187 V N -3.421 116.450 119.914 -0.071 0.000 2.766 187 V HA 0.592 4.712 4.120 0.000 0.000 0.286 187 V C -0.646 175.429 176.094 -0.032 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 3.829 124.018 120.200 -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 0.994 57.392 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 3.836 112.633 108.800 -0.006 0.000 3.377 189 G HA2 -0.428 3.532 3.960 0.000 0.000 0.304 189 G HA3 -0.428 3.532 3.960 0.000 0.000 0.304 189 G C 0.880 175.776 174.900 -0.007 0.000 1.366 189 G CA 0.417 45.515 45.100 -0.004 0.000 1.020 189 G HN 0.548 nan 8.290 nan 0.000 0.621 190 Q N 0.329 120.127 119.800 -0.003 0.000 2.378 190 Q HA 0.244 4.584 4.340 0.000 0.000 0.229 190 Q C 0.715 176.713 176.000 -0.003 0.000 0.882 190 Q CA 0.799 56.600 55.803 -0.003 0.000 0.936 190 Q CB 0.786 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 2.550 117.105 114.554 0.001 0.000 2.899 191 T HA 0.313 4.663 4.350 0.000 0.000 0.284 191 T C -2.542 172.148 174.700 -0.017 0.000 1.004 191 T CA -1.389 60.715 62.100 0.008 0.000 1.043 191 T CB 1.239 70.122 68.868 0.024 0.000 1.013 191 T HN -0.143 nan 8.240 nan 0.000 0.518 192 P HA 0.391 nan 4.420 nan 0.000 0.301 192 P C -0.855 176.336 177.300 -0.183 0.000 1.348 192 P CA -0.864 62.152 63.100 -0.139 0.000 0.826 192 P CB 0.723 32.315 31.700 -0.181 0.000 0.945 193 K N 3.353 123.638 120.400 -0.192 0.000 2.234 193 K HA 0.349 4.669 4.320 0.000 0.000 0.282 193 K C -0.319 176.136 176.600 -0.242 0.000 1.039 193 K CA -0.292 55.925 56.287 -0.117 0.000 0.928 193 K CB 0.183 32.650 32.500 -0.056 0.000 1.039 193 K HN 0.425 nan 8.250 nan 0.000 0.470 194 Y N -0.088 120.216 120.300 0.006 0.000 2.487 194 Y HA 0.455 5.005 4.550 0.000 0.000 0.337 194 Y C 0.653 176.527 175.900 -0.044 0.000 1.076 194 Y CA -1.106 56.999 58.100 0.008 0.000 1.115 194 Y CB 1.549 40.030 38.460 0.034 0.000 1.235 194 Y HN 0.620 nan 8.280 nan 0.000 0.468 195 A N 1.500 124.373 122.820 0.088 0.000 2.498 195 A HA 0.049 4.369 4.320 0.000 0.000 0.239 195 A C -0.142 177.348 177.584 -0.157 0.000 1.068 195 A CA -0.284 51.664 52.037 -0.149 0.000 0.766 195 A CB -0.064 18.759 19.000 -0.294 0.000 1.003 195 A HN 0.708 nan 8.150 nan 0.000 0.497 196 D N 2.056 122.255 120.400 -0.336 0.000 2.352 196 D HA 0.097 4.737 4.640 0.000 0.000 0.245 196 D C 1.022 177.137 176.300 -0.309 0.000 1.224 196 D CA -0.008 53.838 54.000 -0.257 0.000 0.879 196 D CB 0.484 41.128 40.800 -0.260 0.000 1.057 196 D HN 0.550 nan 8.370 nan 0.000 0.491 197 K N 1.293 121.638 120.400 -0.093 0.000 2.127 197 K HA -0.240 4.080 4.320 0.000 0.000 0.212 197 K C 1.903 178.480 176.600 -0.037 0.000 1.050 197 K CA 2.095 58.385 56.287 0.005 0.000 0.929 197 K CB -0.260 32.332 32.500 0.154 0.000 0.715 197 K HN 0.566 nan 8.250 nan 0.000 0.457 198 T N -1.077 113.488 114.554 0.017 0.000 2.881 198 T HA -0.168 4.182 4.350 0.000 0.000 0.270 198 T C 1.488 176.284 174.700 0.161 0.000 1.068 198 T CA 1.365 63.526 62.100 0.102 0.000 1.131 198 T CB -0.310 68.658 68.868 0.168 0.000 0.871 198 T HN 0.467 nan 8.240 nan 0.000 0.479 199 F N -0.906 118.986 119.950 -0.097 0.000 3.031 199 F HA 0.529 5.056 4.527 0.000 0.000 0.365 199 F C -0.121 175.571 175.800 -0.180 0.000 1.128 199 F CA -1.203 56.730 58.000 -0.112 0.000 1.068 199 F CB 0.337 39.290 39.000 -0.080 0.000 1.280 199 F HN 0.016 nan 8.300 nan 0.000 0.529 200 Q N 3.849 123.161 119.800 -0.813 0.000 2.342 200 Q HA 0.470 4.810 4.340 0.000 0.000 0.267 200 Q C -2.666 172.815 176.000 -0.865 0.000 1.038 200 Q CA -2.344 52.972 55.803 -0.812 0.000 0.832 200 Q CB 2.526 30.688 28.738 -0.960 0.000 1.323 200 Q HN -0.029 nan 8.270 nan 0.000 0.448 201 P HA 0.027 nan 4.420 nan 0.000 0.274 201 P C -0.971 176.139 177.300 -0.316 0.000 1.256 201 P CA -0.233 62.533 63.100 -0.556 0.000 0.795 201 P CB 0.857 32.276 31.700 -0.467 0.000 1.038 202 E N 1.354 121.429 120.200 -0.209 0.000 2.174 202 E HA 0.176 4.526 4.350 0.000 0.000 0.282 202 E C -1.717 174.873 176.600 -0.016 0.000 0.992 202 E CA -1.789 54.577 56.400 -0.057 0.000 0.803 202 E CB 0.584 30.294 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 0.859 178.184 177.300 0.043 0.000 1.148 203 P CA 1.505 64.621 63.100 0.026 0.000 0.834 203 P CB 0.164 31.881 31.700 0.029 0.000 0.783 204 Q N -1.012 118.815 119.800 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 56.509 55.803 0.052 0.000 0.865 204 Q CB -0.529 28.240 28.738 0.051 0.000 0.922 204 Q HN 0.287 nan 8.270 nan 0.000 0.445 205 I N 0.823 121.436 120.570 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 -0.566 60.797 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 3.932 112.789 108.800 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 -1.345 173.560 174.900 0.008 0.000 1.372 206 G CA -0.652 44.483 45.100 0.058 0.000 0.781 206 G HN 0.507 nan 8.290 nan 0.000 0.491 207 E N 0.011 120.194 120.200 -0.029 0.000 2.415 207 E HA 0.171 4.521 4.350 0.000 0.000 0.262 207 E C 0.665 177.231 176.600 -0.056 0.000 1.038 207 E CA 0.135 56.494 56.400 -0.068 0.000 0.921 207 E CB 1.290 30.935 29.700 -0.091 0.000 0.950 207 E HN 0.290 nan 8.360 nan 0.000 0.438 208 S N 1.728 117.383 115.700 -0.076 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 0.499 58.663 58.200 -0.059 0.000 0.958 208 S CB 0.152 63.324 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 2.317 209 Q HA 0.174 4.514 4.340 0.000 0.000 0.229 209 Q C 0.962 176.742 176.000 -0.367 0.000 0.984 209 Q CA -0.485 55.074 55.803 -0.407 0.000 0.911 209 Q CB 0.028 28.225 28.738 -0.901 0.000 1.217 209 Q HN 0.566 nan 8.270 nan 0.000 0.501 210 W N 0.348 121.457 121.300 -0.317 0.000 2.576 210 W HA 0.063 4.723 4.660 0.000 0.000 0.270 210 W C -0.280 176.176 176.519 -0.105 0.000 1.255 210 W CA -0.325 56.932 57.345 -0.147 0.000 1.314 210 W CB -0.563 28.877 29.460 -0.033 0.000 1.101 210 W HN 0.636 nan 8.180 nan 0.000 0.595 211 Y N 1.557 121.367 120.300 -0.818 0.000 2.304 211 Y HA 0.508 5.058 4.550 0.000 0.000 0.327 211 Y C 0.172 175.892 175.900 -0.299 0.000 1.209 211 Y CA -2.181 55.522 58.100 -0.663 0.000 1.299 211 Y CB 0.030 37.814 38.460 -1.126 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 0.168 56.594 56.400 0.043 0.000 0.911 212 E CB 0.800 30.522 29.700 0.038 0.000 0.986 212 E HN 0.837 nan 8.360 nan 0.000 0.446 213 T N 3.186 117.774 114.554 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 -0.026 62.114 62.100 0.067 0.000 0.964 213 T CB 0.016 68.920 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 -0.880 175.714 176.600 -0.010 0.000 1.556 214 E CA -0.053 56.344 56.400 -0.005 0.000 1.185 214 E CB -1.088 28.609 29.700 -0.006 0.000 1.023 214 E HN 0.519 nan 8.360 nan 0.000 0.337 215 I N 3.034 123.594 120.570 -0.016 0.000 2.416 215 I HA 0.050 4.220 4.170 0.000 0.000 0.288 215 I C 1.538 177.641 176.117 -0.023 0.000 1.051 215 I CA -0.269 61.022 61.300 -0.015 0.000 1.375 215 I CB 0.595 38.580 38.000 -0.025 0.000 1.407 215 I HN 0.416 nan 8.210 nan 0.000 0.516 216 N N 3.511 122.200 118.700 -0.018 0.000 2.402 216 N HA 0.008 4.748 4.740 0.000 0.000 0.174 216 N C -0.129 175.165 175.510 -0.361 0.000 1.027 216 N CA 0.770 53.727 53.050 -0.155 0.000 0.891 216 N CB 0.246 38.652 38.487 -0.135 0.000 1.016 216 N HN 0.566 nan 8.380 nan 0.000 0.439 217 H N -0.086 118.998 119.070 0.022 0.000 2.736 217 H HA 0.586 5.142 4.556 0.000 0.000 0.271 217 H C -0.577 174.782 175.328 0.053 0.000 1.184 217 H CA -0.525 55.555 56.048 0.053 0.000 1.378 217 H CB 1.061 30.857 29.762 0.056 0.000 1.428 217 H HN 0.077 nan 8.280 nan 0.000 0.500 218 A N 2.131 125.027 122.820 0.127 0.000 2.311 218 A HA 0.937 5.257 4.320 0.000 0.000 0.334 218 A C -0.424 177.269 177.584 0.182 0.000 1.139 218 A CA -0.226 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 -0.245 122.706 122.820 0.218 0.000 2.527 219 A HA 0.992 5.312 4.320 0.000 0.000 0.293 219 A C -0.088 177.607 177.584 0.186 0.000 1.117 219 A CA -0.117 52.066 52.037 0.245 0.000 0.723 219 A CB 1.635 20.817 19.000 0.303 0.000 1.313 219 A HN 2.430 nan 8.150 nan 0.000 0.411 220 G N -0.248 108.656 108.800 0.175 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 -1.684 173.292 174.900 0.126 0.000 1.397 220 G CA -0.889 44.275 45.100 0.106 0.000 0.790 220 G HN 0.740 nan 8.290 nan 0.000 0.486 221 R N -1.087 119.457 120.500 0.074 0.000 2.711 221 R HA 0.807 5.147 4.340 0.000 0.000 0.284 221 R C -1.159 175.184 176.300 0.071 0.000 0.968 221 R CA -0.848 55.304 56.100 0.087 0.000 0.924 221 R CB 2.517 32.842 30.300 0.041 0.000 1.162 221 R HN 0.509 nan 8.270 nan 0.000 0.465 222 V N 3.207 123.170 119.914 0.083 0.000 3.159 222 V HA 0.505 4.625 4.120 0.000 0.000 0.308 222 V C -1.442 174.697 176.094 0.076 0.000 1.190 222 V CA -0.979 61.365 62.300 0.072 0.000 1.037 222 V CB 2.550 34.414 31.823 0.069 0.000 1.060 222 V HN 0.566 nan 8.190 nan 0.000 0.437 223 L N 4.125 125.398 121.223 0.083 0.000 2.282 223 L HA 0.536 4.876 4.340 0.000 0.000 0.288 223 L C 0.298 177.221 176.870 0.088 0.000 1.033 223 L CA -0.591 54.295 54.840 0.077 0.000 0.807 223 L CB 1.396 43.501 42.059 0.077 0.000 1.209 223 L HN 0.603 nan 8.230 nan 0.000 0.423 224 K N 1.973 122.415 120.400 0.070 0.000 2.336 224 K HA -0.020 4.300 4.320 0.000 0.000 0.262 224 K C 1.031 177.682 176.600 0.085 0.000 0.992 224 K CA -0.104 56.224 56.287 0.068 0.000 0.927 224 K CB 0.670 33.198 32.500 0.047 0.000 0.956 224 K HN 0.545 nan 8.250 nan 0.000 0.495 225 K N -0.241 120.213 120.400 0.091 0.000 2.442 225 K HA -0.110 4.210 4.320 0.000 0.000 0.198 225 K C 1.138 177.792 176.600 0.090 0.000 1.044 225 K CA 1.673 58.029 56.287 0.116 0.000 0.948 225 K CB -0.221 32.348 32.500 0.114 0.000 0.762 225 K HN 0.618 nan 8.250 nan 0.000 0.472 226 T N -1.875 112.718 114.554 0.065 0.000 3.085 226 T HA -0.009 4.341 4.350 0.000 0.000 0.263 226 T C 0.666 175.393 174.700 0.045 0.000 1.127 226 T CA 0.194 62.323 62.100 0.049 0.000 1.103 226 T CB -0.124 68.766 68.868 0.036 0.000 0.921 226 T HN 0.044 nan 8.240 nan 0.000 0.510 227 T N 5.157 119.741 114.554 0.051 0.000 2.744 227 T HA 0.392 4.742 4.350 0.000 0.000 0.291 227 T C -2.539 172.190 174.700 0.050 0.000 0.957 227 T CA -1.371 60.754 62.100 0.042 0.000 1.002 227 T CB 1.359 70.250 68.868 0.038 0.000 0.919 227 T HN 0.194 nan 8.240 nan 0.000 0.468 228 P HA 0.053 nan 4.420 nan 0.000 0.266 228 P C -0.314 177.008 177.300 0.037 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 0.033 0.000 2.217 229 M HA 0.133 4.613 4.480 0.000 0.000 0.354 229 M C 0.211 176.520 176.300 0.016 0.000 1.225 229 M CA 0.629 55.946 55.300 0.028 0.000 1.137 229 M CB 0.275 32.875 32.600 -0.000 0.000 1.576 229 M HN 0.193 nan 8.290 nan 0.000 0.461 230 K N 4.509 124.927 120.400 0.030 0.000 2.527 230 K HA 0.528 4.848 4.320 0.000 0.000 0.260 230 K C -2.749 173.883 176.600 0.054 0.000 0.937 230 K CA -1.804 54.504 56.287 0.035 0.000 0.826 230 K CB 1.695 34.219 32.500 0.039 0.000 1.359 230 K HN 0.297 nan 8.250 nan 0.000 0.434 231 P HA 0.028 nan 4.420 nan 0.000 0.267 231 P C 0.922 178.295 177.300 0.122 0.000 1.200 231 P CA -0.156 62.999 63.100 0.092 0.000 0.772 231 P CB 0.598 32.360 31.700 0.103 0.000 0.855 232 C N 3.345 122.727 119.300 0.137 0.000 2.413 232 C HA -0.166 4.295 4.460 0.000 0.000 0.276 232 C C 1.380 176.476 174.990 0.176 0.000 1.236 232 C CA 0.444 59.547 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 1.210 121.554 120.300 0.074 0.000 2.745 233 Y HA 0.367 4.917 4.550 0.000 0.000 0.335 233 Y C 1.220 177.180 175.900 0.101 0.000 1.212 233 Y CA 1.296 59.445 58.100 0.081 0.000 1.535 233 Y CB -0.060 38.431 38.460 0.051 0.000 1.220 233 Y HN 0.660 nan 8.280 nan 0.000 0.531 234 G N 3.016 111.689 108.800 -0.211 0.000 2.195 234 G HA2 -0.278 3.682 3.960 0.000 0.000 0.246 234 G HA3 -0.278 3.682 3.960 0.000 0.000 0.246 234 G C 0.235 175.196 174.900 0.101 0.000 0.984 234 G CA 0.140 45.208 45.100 -0.053 0.000 0.633 234 G HN 0.716 nan 8.290 nan 0.000 0.525 235 S N 0.228 115.979 115.700 0.084 0.000 2.531 235 S HA 0.557 5.027 4.470 0.000 0.000 0.279 235 S C -0.479 174.109 174.600 -0.021 0.000 1.305 235 S CA 0.071 58.297 58.200 0.043 0.000 1.058 235 S CB 0.999 64.228 63.200 0.049 0.000 0.899 235 S HN 0.752 nan 8.310 nan 0.000 0.493 236 Y N 1.410 121.542 120.300 -0.281 0.000 2.534 236 Y HA 0.626 5.176 4.550 0.000 0.000 0.345 236 Y C -1.100 174.653 175.900 -0.244 0.000 1.031 236 Y CA -0.994 56.828 58.100 -0.463 0.000 1.022 236 Y CB 1.403 39.262 38.460 -1.002 0.000 1.292 236 Y HN 0.667 nan 8.280 nan 0.000 0.459 237 A N 5.694 127.809 122.820 -1.174 0.000 2.485 237 A HA 0.479 4.799 4.320 0.000 0.000 0.285 237 A C -1.457 175.553 177.584 -0.956 0.000 1.045 237 A CA -0.999 50.536 52.037 -0.838 0.000 0.792 237 A CB 0.676 19.457 19.000 -0.366 0.000 1.307 237 A HN 0.803 nan 8.150 nan 0.000 0.406 238 K N 3.309 123.248 120.400 -0.769 0.000 2.485 238 K HA 0.358 4.678 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 -0.348 0.000 0.994 238 K CB 0.322 32.772 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 -0.116 177.164 177.300 -0.035 0.000 1.238 239 P CA -0.415 62.652 63.100 -0.055 0.000 0.794 239 P CB 1.316 33.002 31.700 -0.024 0.000 0.955 240 T N -1.761 112.777 114.554 -0.027 0.000 3.092 240 T HA 0.196 4.546 4.350 0.000 0.000 0.258 240 T C 0.227 174.920 174.700 -0.012 0.000 1.031 240 T CA -0.310 61.780 62.100 -0.016 0.000 0.925 240 T CB -0.749 68.112 68.868 -0.010 0.000 1.036 240 T HN 0.595 nan 8.240 nan 0.000 0.544 241 N N -0.688 117.998 118.700 -0.023 0.000 2.484 241 N HA 0.234 4.974 4.740 0.000 0.000 0.269 241 N C 0.170 175.634 175.510 -0.077 0.000 1.237 241 N CA -0.993 52.033 53.050 -0.041 0.000 0.838 241 N CB 1.271 39.740 38.487 -0.029 0.000 1.593 241 N HN -0.007 nan 8.380 nan 0.000 0.485 242 E N -0.168 119.975 120.200 -0.095 0.000 2.396 242 E HA -0.171 4.179 4.350 0.000 0.000 0.200 242 E C -0.054 176.434 176.600 -0.186 0.000 1.023 242 E CA 0.958 57.290 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 -0.606 117.916 118.700 -0.296 0.000 2.322 243 N HA 0.039 4.779 4.740 0.000 0.000 0.194 243 N C 0.854 176.210 175.510 -0.257 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 -1.338 0.000 0.976 243 N HN 0.321 nan 8.380 nan 0.000 0.475 244 G N -0.032 108.697 108.800 -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 0.502 175.406 174.900 0.007 0.000 0.982 244 G CA -0.079 45.001 45.100 -0.033 0.000 0.641 244 G HN 0.557 nan 8.290 nan 0.000 0.527 245 G N -0.071 108.749 108.800 0.033 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 0.601 175.505 174.900 0.006 0.000 1.247 245 G CA 0.520 45.655 45.100 0.058 0.000 0.840 245 G HN 1.155 nan 8.290 nan 0.000 0.578 246 Q N 1.391 121.186 119.800 -0.007 0.000 2.233 246 Q HA 0.312 4.652 4.340 0.000 0.000 0.340 246 Q C 1.199 177.183 176.000 -0.026 0.000 0.899 246 Q CA -0.061 55.717 55.803 -0.042 0.000 1.139 246 Q CB 0.700 29.386 28.738 -0.087 0.000 1.273 246 Q HN 0.560 nan 8.270 nan 0.000 0.431 247 G N 1.053 109.852 108.800 -0.001 0.000 2.418 247 G HA2 0.008 3.968 3.960 0.000 0.000 0.217 247 G HA3 0.008 3.968 3.960 0.000 0.000 0.217 247 G C 0.939 175.840 174.900 0.002 0.000 1.158 247 G CA 1.520 46.625 45.100 0.008 0.000 0.771 247 G HN 0.513 nan 8.290 nan 0.000 0.545 248 I N -3.643 116.925 120.570 -0.003 0.000 1.251 248 I HA -0.008 4.162 4.170 0.000 0.000 0.295 248 I C -0.617 175.499 176.117 -0.002 0.000 0.524 248 I CA -0.302 60.996 61.300 -0.003 0.000 3.160 248 I CB -0.118 37.884 38.000 0.003 0.000 1.706 248 I HN 0.017 nan 8.210 nan 0.000 0.523 249 L N 1.122 122.347 121.223 0.003 0.000 3.065 249 L HA 0.006 4.346 4.340 0.000 0.000 0.429 249 L C -0.889 175.984 176.870 0.005 0.000 0.956 249 L CA -0.403 54.440 54.840 0.004 0.000 1.409 249 L CB -0.922 41.138 42.059 0.001 0.000 1.708 249 L HN 0.170 nan 8.230 nan 0.000 0.428 250 V N 0.929 120.847 119.914 0.005 0.000 2.668 250 V HA 0.812 4.932 4.120 0.000 0.000 0.304 250 V C -0.045 176.052 176.094 0.006 0.000 1.071 250 V CA 0.088 62.391 62.300 0.005 0.000 0.894 250 V CB 1.810 33.636 31.823 0.005 0.000 1.008 250 V HN 0.394 nan 8.190 nan 0.000 0.425 251 K N 3.581 123.984 120.400 0.005 0.000 2.972 251 K HA -0.196 4.124 4.320 0.000 0.000 0.853 251 K C 0.686 177.290 176.600 0.006 0.000 2.102 251 K CA 0.700 56.990 56.287 0.005 0.000 1.382 251 K CB -0.721 31.782 32.500 0.005 0.000 2.605 251 K HN 0.939 nan 8.250 nan 0.000 0.218 252 Q N 0.933 120.736 119.800 0.005 0.000 2.331 252 Q HA 0.067 4.407 4.340 0.000 0.000 0.203 252 Q C 0.234 176.236 176.000 0.003 0.000 0.944 252 Q CA 0.899 56.704 55.803 0.004 0.000 0.892 252 Q CB 0.480 29.220 28.738 0.003 0.000 0.983 252 Q HN 0.395 nan 8.270 nan 0.000 0.482 253 Q N -1.225 118.577 119.800 0.003 0.000 2.756 253 Q HA 0.190 4.530 4.340 0.000 0.000 0.295 253 Q C -0.870 175.132 176.000 0.003 0.000 0.903 253 Q CA -0.719 55.086 55.803 0.003 0.000 0.768 253 Q CB 1.009 29.748 28.738 0.002 0.000 1.472 253 Q HN 0.052 nan 8.270 nan 0.000 0.416 254 N N -0.322 118.379 118.700 0.002 0.000 1.366 254 N HA -0.263 4.477 4.740 0.000 0.000 0.141 254 N C 0.238 175.750 175.510 0.003 0.000 0.460 254 N CA 2.047 55.098 53.050 0.002 0.000 1.090 254 N CB -1.522 36.966 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 -0.101 174.802 174.900 0.005 0.000 1.209 255 G CA 0.143 45.245 45.100 0.004 0.000 0.835 255 G HN 0.736 nan 8.290 nan 0.000 0.534 256 K N 2.407 122.810 120.400 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 55.472 56.287 0.006 0.000 0.854 256 K CB 0.872 33.376 32.500 0.006 0.000 1.424 256 K HN 0.336 nan 8.250 nan 0.000 0.427 257 L N 0.895 122.123 121.223 0.007 0.000 2.240 257 L HA 0.036 4.376 4.340 0.000 0.000 0.166 257 L C 1.483 178.359 176.870 0.010 0.000 0.893 257 L CA 0.129 54.975 54.840 0.010 0.000 1.058 257 L CB -0.266 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 -0.584 119.624 120.200 0.013 0.000 2.683 258 E HA -0.025 4.325 4.350 0.000 0.000 0.266 258 E C 0.691 177.301 176.600 0.016 0.000 1.434 258 E CA 0.283 56.693 56.400 0.018 0.000 1.137 258 E CB 0.363 30.077 29.700 0.022 0.000 0.992 258 E HN 0.573 nan 8.360 nan 0.000 0.607 259 S N -0.714 114.997 115.700 0.019 0.000 2.836 259 S HA 0.182 4.652 4.470 0.000 0.000 0.164 259 S C 0.422 175.033 174.600 0.017 0.000 0.714 259 S CA -0.456 57.754 58.200 0.016 0.000 0.906 259 S CB 0.406 63.616 63.200 0.017 0.000 0.702 259 S HN 0.471 nan 8.310 nan 0.000 0.571 260 Q N -0.964 118.849 119.800 0.021 0.000 2.397 260 Q HA 0.569 4.909 4.340 0.000 0.000 0.384 260 Q C -1.550 174.467 176.000 0.029 0.000 0.574 260 Q CA -0.361 55.454 55.803 0.020 0.000 1.025 260 Q CB 0.907 29.652 28.738 0.013 0.000 0.985 260 Q HN 0.644 nan 8.270 nan 0.000 0.456 261 V N 0.194 120.123 119.914 0.023 0.000 2.115 261 V HA -0.022 4.098 4.120 0.000 0.000 0.344 261 V C -1.885 174.208 176.094 -0.002 0.000 1.564 261 V CA -0.631 61.688 62.300 0.031 0.000 0.889 261 V CB 0.643 32.510 31.823 0.072 0.000 1.226 261 V HN 0.752 nan 8.190 nan 0.000 0.228 262 E N 1.977 122.158 120.200 -0.032 0.000 2.313 262 E HA 0.534 4.884 4.350 0.000 0.000 0.280 262 E C -0.969 175.509 176.600 -0.204 0.000 0.898 262 E CA -0.760 55.585 56.400 -0.092 0.000 0.803 262 E CB 1.989 31.652 29.700 -0.061 0.000 1.286 262 E HN 0.646 nan 8.360 nan 0.000 0.401 263 M N 2.139 121.530 119.600 -0.348 0.000 2.248 263 M HA 0.112 4.592 4.480 0.000 0.000 0.337 263 M C -0.105 175.866 176.300 -0.548 0.000 1.121 263 M CA 0.851 55.762 55.300 -0.649 0.000 1.155 263 M CB 0.427 32.505 32.600 -0.870 0.000 1.514 263 M HN 0.331 nan 8.290 nan 0.000 0.452 264 Q N 2.986 122.414 119.800 -0.620 0.000 2.490 264 Q HA 0.374 4.714 4.340 0.000 0.000 0.255 264 Q C -1.504 173.918 176.000 -0.964 0.000 0.997 264 Q CA -0.316 55.126 55.803 -0.601 0.000 0.709 264 Q CB 1.100 29.685 28.738 -0.255 0.000 1.255 264 Q HN 0.481 nan 8.270 nan 0.000 0.486 265 F N 1.638 121.190 119.950 -0.664 0.000 2.459 265 F HA 0.376 4.903 4.527 0.000 0.000 0.346 265 F C 0.178 175.445 175.800 -0.889 0.000 1.128 265 F CA 0.271 57.959 58.000 -0.521 0.000 1.268 265 F CB 0.428 39.262 39.000 -0.276 0.000 1.161 265 F HN 0.311 nan 8.300 nan 0.000 0.583 266 F N -0.165 119.867 119.950 0.137 0.000 2.613 266 F HA 0.511 5.038 4.527 0.000 0.000 0.310 266 F C -0.005 175.824 175.800 0.049 0.000 1.085 266 F CA -0.916 57.119 58.000 0.060 0.000 0.945 266 F CB 1.887 40.895 39.000 0.015 0.000 1.298 266 F HN 0.467 nan 8.300 nan 0.000 0.455 267 S N -0.598 115.226 115.700 0.208 0.000 2.753 267 S HA 0.614 5.084 4.470 0.000 0.000 0.302 267 S C -0.026 174.625 174.600 0.086 0.000 1.104 267 S CA -0.340 57.925 58.200 0.108 0.000 0.968 267 S CB 1.603 64.839 63.200 0.060 0.000 1.278 267 S HN 0.555 nan 8.310 nan 0.000 0.549 268 T N 0.785 115.366 114.554 0.045 0.000 3.132 268 T HA 0.330 4.680 4.350 0.000 0.000 0.274 268 T C -0.372 174.341 174.700 0.022 0.000 1.011 268 T CA 0.361 62.478 62.100 0.028 0.000 0.899 268 T CB -0.282 68.594 68.868 0.012 0.000 1.089 268 T HN 0.883 nan 8.240 nan 0.000 0.543 269 T N 2.595 117.164 114.554 0.025 0.000 4.385 269 T HA -0.143 4.207 4.350 0.000 0.000 0.330 269 T C -0.159 174.547 174.700 0.010 0.000 0.771 269 T CA 0.428 62.539 62.100 0.017 0.000 1.973 269 T CB -1.585 67.293 68.868 0.017 0.000 1.908 269 T HN 0.550 nan 8.240 nan 0.000 0.933 270 E N 1.491 121.695 120.200 0.008 0.000 2.129 270 E HA 0.513 4.863 4.350 0.000 0.000 0.283 270 E C 0.590 177.191 176.600 0.001 0.000 1.080 270 E CA 0.265 56.667 56.400 0.003 0.000 0.867 270 E CB 0.854 30.554 29.700 0.001 0.000 1.056 270 E HN 0.836 nan 8.360 nan 0.000 0.404 271 A N 2.759 125.579 122.820 0.000 0.000 2.434 271 A HA -0.159 4.161 4.320 0.000 0.000 0.686 271 A C 0.966 178.549 177.584 -0.002 0.000 0.138 271 A CA 0.585 52.621 52.037 -0.001 0.000 0.027 271 A CB -1.589 17.409 19.000 -0.003 0.000 3.972 271 A HN 0.859 nan 8.150 nan 0.000 0.548 272 T N 1.138 115.691 114.554 -0.002 0.000 2.814 272 T HA 0.635 4.985 4.350 0.000 0.000 0.254 272 T C 1.483 176.179 174.700 -0.006 0.000 1.037 272 T CA 2.095 64.194 62.100 -0.003 0.000 1.143 272 T CB -0.219 68.647 68.868 -0.002 0.000 0.866 272 T HN 2.611 nan 8.240 nan 0.000 0.431 273 A N 1.370 124.186 122.820 -0.006 0.000 2.454 273 A HA 0.545 4.865 4.320 0.000 0.000 0.260 273 A C 0.866 178.444 177.584 -0.010 0.000 1.106 273 A CA 0.028 52.060 52.037 -0.008 0.000 0.780 273 A CB -0.184 18.812 19.000 -0.007 0.000 1.044 273 A HN 0.676 nan 8.150 nan 0.000 0.498 274 G N 2.662 111.454 108.800 -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 0.254 175.144 174.900 -0.015 0.000 0.973 274 G CA -0.541 44.550 45.100 -0.015 0.000 1.257 274 G HN 0.781 nan 8.290 nan 0.000 0.456 275 N N 2.386 121.078 118.700 -0.013 0.000 2.518 275 N HA 0.057 4.797 4.740 0.000 0.000 0.230 275 N C 1.691 177.193 175.510 -0.013 0.000 1.022 275 N CA 0.693 53.736 53.050 -0.012 0.000 1.172 275 N CB 0.293 38.774 38.487 -0.010 0.000 1.498 275 N HN 0.396 nan 8.380 nan 0.000 0.602 276 G N 1.166 109.959 108.800 -0.011 0.000 3.228 276 G HA2 0.054 4.014 3.960 0.000 0.000 0.245 276 G HA3 0.054 4.014 3.960 0.000 0.000 0.245 276 G C -0.293 174.601 174.900 -0.010 0.000 1.051 276 G CA -0.164 44.929 45.100 -0.011 0.000 0.809 276 G HN 0.388 nan 8.290 nan 0.000 0.531 277 D N 0.867 121.261 120.400 -0.010 0.000 2.368 277 D HA 0.020 4.660 4.640 0.000 0.000 0.240 277 D C -0.375 175.918 176.300 -0.012 0.000 1.169 277 D CA -0.466 53.529 54.000 -0.009 0.000 0.906 277 D CB 0.587 41.382 40.800 -0.008 0.000 1.187 277 D HN -0.015 nan 8.370 nan 0.000 0.435 278 N N 1.905 120.600 118.700 -0.008 0.000 2.558 278 N HA 0.068 4.808 4.740 0.000 0.000 0.233 278 N C 0.649 176.152 175.510 -0.011 0.000 1.038 278 N CA -0.425 52.619 53.050 -0.009 0.000 0.934 278 N CB 1.142 39.630 38.487 0.002 0.000 1.175 278 N HN 0.420 nan 8.380 nan 0.000 0.512 279 L N 0.994 122.204 121.223 -0.023 0.000 2.814 279 L HA -0.084 4.256 4.340 0.000 0.000 0.248 279 L C 0.635 177.492 176.870 -0.021 0.000 1.169 279 L CA 0.629 55.454 54.840 -0.025 0.000 0.872 279 L CB -1.425 40.608 42.059 -0.043 0.000 1.029 279 L HN 0.504 nan 8.230 nan 0.000 0.452 280 T N -0.147 114.401 114.554 -0.009 0.000 2.657 280 T HA -0.044 4.306 4.350 0.000 0.000 0.245 280 T C -1.884 172.829 174.700 0.022 0.000 1.021 280 T CA -1.064 61.044 62.100 0.014 0.000 1.155 280 T CB -0.366 68.526 68.868 0.039 0.000 1.022 280 T HN 0.190 nan 8.240 nan 0.000 0.477 281 P HA 0.257 nan 4.420 nan 0.000 0.272 281 P C 0.230 177.566 177.300 0.060 0.000 1.240 281 P CA -0.507 62.658 63.100 0.108 0.000 0.791 281 P CB 0.947 32.793 31.700 0.244 0.000 0.978 282 K N -0.612 119.830 120.400 0.070 0.000 2.425 282 K HA 0.295 4.615 4.320 0.000 0.000 0.201 282 K C -0.540 176.091 176.600 0.053 0.000 1.128 282 K CA 0.149 56.433 56.287 -0.004 0.000 1.000 282 K CB 0.829 33.324 32.500 -0.009 0.000 0.961 282 K HN 0.197 nan 8.250 nan 0.000 0.555 283 V N 1.482 121.481 119.914 0.143 0.000 2.789 283 V HA 0.182 4.302 4.120 0.000 0.000 0.300 283 V C -1.172 175.059 176.094 0.228 0.000 1.184 283 V CA -0.938 61.461 62.300 0.164 0.000 0.930 283 V CB 2.183 34.074 31.823 0.114 0.000 1.041 283 V HN -0.264 nan 8.190 nan 0.000 0.430 284 V N 6.167 126.186 119.914 0.174 0.000 2.347 284 V HA 0.502 4.622 4.120 0.000 0.000 0.280 284 V C -0.123 176.028 176.094 0.095 0.000 1.021 284 V CA -0.418 61.904 62.300 0.037 0.000 0.847 284 V CB 1.471 33.274 31.823 -0.033 0.000 0.990 284 V HN 0.623 nan 8.190 nan 0.000 0.444 285 L N 5.011 126.280 121.223 0.077 0.000 2.307 285 L HA 0.489 4.829 4.340 0.000 0.000 0.282 285 L C -0.902 175.947 176.870 -0.036 0.000 1.051 285 L CA -0.631 54.293 54.840 0.139 0.000 0.804 285 L CB 1.337 43.542 42.059 0.243 0.000 1.197 285 L HN 0.565 nan 8.230 nan 0.000 0.431 286 Y N 1.295 121.581 120.300 -0.024 0.000 2.958 286 Y HA 0.134 4.684 4.550 0.000 0.000 0.336 286 Y C 0.942 176.831 175.900 -0.018 0.000 1.160 286 Y CA -0.749 57.322 58.100 -0.048 0.000 1.292 286 Y CB 0.546 38.968 38.460 -0.064 0.000 1.306 286 Y HN 0.551 nan 8.280 nan 0.000 0.547 287 S N 1.450 117.188 115.700 0.064 0.000 2.573 287 S HA 0.389 4.859 4.470 0.000 0.000 0.277 287 S C -0.093 174.541 174.600 0.056 0.000 1.346 287 S CA -0.450 57.788 58.200 0.063 0.000 1.034 287 S CB 1.121 64.350 63.200 0.048 0.000 0.879 287 S HN 0.706 nan 8.310 nan 0.000 0.528 288 E N 0.279 120.511 120.200 0.053 0.000 2.422 288 E HA 0.326 4.676 4.350 0.000 0.000 0.280 288 E C -2.157 174.463 176.600 0.033 0.000 1.091 288 E CA -0.991 55.434 56.400 0.041 0.000 0.849 288 E CB 0.702 30.430 29.700 0.046 0.000 1.353 288 E HN 0.510 nan 8.360 nan 0.000 0.449 289 D N 1.133 121.547 120.400 0.023 0.000 2.217 289 D HA 0.455 5.095 4.640 0.000 0.000 0.243 289 D C -0.406 175.895 176.300 0.001 0.000 1.054 289 D CA -0.272 53.737 54.000 0.016 0.000 0.838 289 D CB 2.105 42.914 40.800 0.015 0.000 1.162 289 D HN 0.434 nan 8.370 nan 0.000 0.472 290 V N -0.728 119.180 119.914 -0.010 0.000 2.914 290 V HA 0.404 4.524 4.120 0.000 0.000 0.314 290 V C 0.102 176.167 176.094 -0.048 0.000 1.084 290 V CA -0.964 61.313 62.300 -0.038 0.000 0.963 290 V CB 2.397 34.185 31.823 -0.057 0.000 1.025 290 V HN 0.323 nan 8.190 nan 0.000 0.432 291 D N 2.851 123.208 120.400 -0.071 0.000 2.671 291 D HA 0.165 4.805 4.640 0.000 0.000 0.228 291 D C 0.120 176.364 176.300 -0.093 0.000 1.102 291 D CA 0.130 54.092 54.000 -0.064 0.000 1.044 291 D CB 0.107 40.870 40.800 -0.062 0.000 1.113 291 D HN 0.700 nan 8.370 nan 0.000 0.480 292 I N 2.407 122.936 120.570 -0.068 0.000 2.618 292 I HA 0.003 4.173 4.170 0.000 0.000 0.284 292 I C 0.219 176.321 176.117 -0.026 0.000 1.146 292 I CA 0.221 61.481 61.300 -0.067 0.000 1.425 292 I CB 0.283 38.264 38.000 -0.032 0.000 1.383 292 I HN 0.269 nan 8.210 nan 0.000 0.562 293 E N 3.866 124.059 120.200 -0.013 0.000 2.408 293 E HA 0.462 4.812 4.350 0.000 0.000 0.275 293 E C -1.305 175.329 176.600 0.057 0.000 0.935 293 E CA -0.922 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 -0.994 113.599 114.554 0.065 0.000 3.327 294 T HA 0.315 4.665 4.350 0.000 0.000 0.373 294 T C -1.788 172.966 174.700 0.091 0.000 1.589 294 T CA -1.423 60.724 62.100 0.079 0.000 1.497 294 T CB 0.819 69.735 68.868 0.080 0.000 1.032 294 T HN 0.331 nan 8.240 nan 0.000 0.640 295 P HA -0.017 nan 4.420 nan 0.000 0.223 295 P C 0.315 177.663 177.300 0.079 0.000 1.151 295 P CA 1.137 64.287 63.100 0.084 0.000 0.787 295 P CB 0.167 31.909 31.700 0.070 0.000 0.788 296 D N -1.332 119.139 120.400 0.117 0.000 2.563 296 D HA 0.070 4.710 4.640 0.000 0.000 0.237 296 D C 0.205 176.561 176.300 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 -2.668 111.965 114.554 0.133 0.000 2.865 297 T HA 0.625 4.974 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 61.345 62.100 0.178 0.000 1.007 297 T CB 2.495 71.445 68.868 0.138 0.000 1.225 297 T HN 0.307 nan 8.240 nan 0.000 0.515 298 H N -0.469 118.632 119.070 0.052 0.000 2.977 298 H HA 0.544 5.100 4.556 0.000 0.000 0.350 298 H C -1.155 174.190 175.328 0.029 0.000 1.238 298 H CA -1.438 54.623 56.048 0.023 0.000 1.124 298 H CB 0.757 30.507 29.762 -0.019 0.000 1.866 298 H HN 0.522 nan 8.280 nan 0.000 0.550 299 I N 2.625 123.201 120.570 0.010 0.000 2.452 299 I HA -0.045 4.125 4.170 0.000 0.000 0.287 299 I C 1.512 177.574 176.117 -0.092 0.000 1.079 299 I CA 0.218 61.487 61.300 -0.051 0.000 1.387 299 I CB 0.985 38.974 38.000 -0.019 0.000 1.404 299 I HN 0.761 nan 8.210 nan 0.000 0.522 300 S N 5.867 121.495 115.700 -0.119 0.000 2.524 300 S HA 0.016 4.486 4.470 0.000 0.000 0.216 300 S C 0.112 174.756 174.600 0.073 0.000 0.987 300 S CA 0.080 58.233 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 1.280 121.535 120.300 -0.074 0.000 2.294 301 Y HA 0.558 5.108 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 -1.350 56.718 58.100 -0.053 0.000 1.213 301 Y CB 1.019 39.444 38.460 -0.058 0.000 1.141 301 Y HN 0.048 nan 8.280 nan 0.000 0.446 302 M N 9.040 128.321 119.600 -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 -2.627 52.378 55.300 -0.492 0.000 1.059 302 M CB 1.128 33.583 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 -0.251 0.000 1.162 303 P CA 1.154 63.958 63.100 -0.493 0.000 0.874 303 P CB 0.359 31.891 31.700 -0.280 0.000 0.784 304 T N -1.083 113.352 114.554 -0.199 0.000 2.907 304 T HA 0.342 4.692 4.350 0.000 0.000 0.292 304 T C 0.820 175.454 174.700 -0.110 0.000 1.043 304 T CA -0.531 61.493 62.100 -0.128 0.000 1.003 304 T CB 1.750 70.557 68.868 -0.102 0.000 1.084 304 T HN -0.117 nan 8.240 nan 0.000 0.483 305 I N 0.786 121.309 120.570 -0.078 0.000 2.716 305 I HA 0.127 4.297 4.170 0.000 0.000 0.259 305 I C 0.651 176.739 176.117 -0.048 0.000 1.172 305 I CA 0.511 61.775 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 2.888 123.261 120.400 -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 56.609 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 0.676 120.864 120.200 -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 -0.124 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 1.480 110.280 108.800 0.001 0.000 2.719 308 G HA2 -0.184 3.776 3.960 0.000 0.000 0.686 308 G HA3 -0.184 3.776 3.960 0.000 0.000 0.686 308 G C -0.815 174.092 174.900 0.012 0.000 1.201 308 G CA -1.007 44.103 45.100 0.017 0.000 0.768 308 G HN 0.450 nan 8.290 nan 0.000 0.629 309 N N 0.521 119.247 118.700 0.043 0.000 2.497 309 N HA 0.574 5.314 4.740 0.000 0.000 0.268 309 N C 0.579 176.113 175.510 0.039 0.000 1.171 309 N CA 0.713 53.787 53.050 0.040 0.000 0.948 309 N CB 1.447 40.004 38.487 0.117 0.000 1.069 309 N HN 1.277 nan 8.380 nan 0.000 0.460 310 S N 0.471 116.081 115.700 -0.150 0.000 2.638 310 S HA 0.410 4.880 4.470 0.000 0.000 0.274 310 S C 0.819 174.917 174.600 -0.837 0.000 1.157 310 S CA -0.971 57.044 58.200 -0.309 0.000 0.826 310 S CB 2.389 65.495 63.200 -0.156 0.000 1.139 310 S HN 0.590 nan 8.310 nan 0.000 0.474 311 R N 0.465 120.331 120.500 -1.056 0.000 2.105 311 R HA -0.103 4.237 4.340 0.000 0.000 0.239 311 R C 1.424 177.364 176.300 -0.601 0.000 1.135 311 R CA 1.781 57.223 56.100 -1.097 0.000 0.967 311 R CB -0.362 29.620 30.300 -0.530 0.000 0.861 311 R HN 0.731 nan 8.270 nan 0.000 0.442 312 E N 0.927 120.899 120.200 -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 -0.243 0.000 1.004 312 E CA 1.154 57.406 56.400 -0.247 0.000 0.805 312 E CB -0.334 29.262 29.700 -0.174 0.000 0.744 312 E HN 0.445 nan 8.360 nan 0.000 0.451 313 L N 0.290 121.352 121.223 -0.269 0.000 2.450 313 L HA -0.082 4.258 4.340 0.000 0.000 0.224 313 L C 2.388 179.132 176.870 -0.210 0.000 1.149 313 L CA 0.416 55.128 54.840 -0.213 0.000 0.816 313 L CB -0.293 41.658 42.059 -0.180 0.000 0.932 313 L HN 0.144 nan 8.230 nan 0.000 0.449 314 M N -1.022 118.397 119.600 -0.302 0.000 2.557 314 M HA -0.049 4.431 4.480 0.000 0.000 0.259 314 M C 1.703 177.899 176.300 -0.174 0.000 1.086 314 M CA 1.061 56.193 55.300 -0.279 0.000 1.096 314 M CB -0.277 32.050 32.600 -0.455 0.000 1.424 314 M HN 0.284 nan 8.290 nan 0.000 0.488 315 G N 0.345 109.071 108.800 -0.123 0.000 3.189 315 G HA2 0.048 4.008 3.960 0.000 0.000 0.225 315 G HA3 0.048 4.008 3.960 0.000 0.000 0.225 315 G C 0.328 175.289 174.900 0.102 0.000 1.159 315 G CA -0.398 44.694 45.100 -0.014 0.000 0.763 315 G HN 0.554 nan 8.290 nan 0.000 0.549 316 Q N 0.039 119.850 119.800 0.019 0.000 2.340 316 Q HA 0.481 4.821 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 -0.180 55.647 55.803 0.040 0.000 0.882 316 Q CB 0.942 29.643 28.738 -0.062 0.000 1.235 316 Q HN 0.223 nan 8.270 nan 0.000 0.439 317 Q N 1.009 120.871 119.800 0.103 0.000 2.345 317 Q HA 0.501 4.841 4.340 0.000 0.000 0.268 317 Q C -1.236 174.762 176.000 -0.004 0.000 1.054 317 Q CA -0.738 55.088 55.803 0.038 0.000 0.835 317 Q CB 2.490 31.242 28.738 0.024 0.000 1.339 317 Q HN 0.716 nan 8.270 nan 0.000 0.447 318 S N 1.666 117.356 115.700 -0.016 0.000 2.537 318 S HA 0.779 5.249 4.470 0.000 0.000 0.301 318 S C -1.090 173.469 174.600 -0.069 0.000 1.092 318 S CA -0.627 57.579 58.200 0.009 0.000 1.048 318 S CB 0.852 64.172 63.200 0.200 0.000 1.053 318 S HN 0.635 nan 8.310 nan 0.000 0.501 319 M N 5.027 124.551 119.600 -0.127 0.000 2.433 319 M HA 0.536 5.016 4.480 0.000 0.000 0.290 319 M C -2.773 173.528 176.300 0.001 0.000 1.173 319 M CA -2.138 53.075 55.300 -0.144 0.000 0.905 319 M CB 2.518 34.916 32.600 -0.337 0.000 1.692 319 M HN 0.409 nan 8.290 nan 0.000 0.462 320 P HA 0.082 nan 4.420 nan 0.000 0.271 320 P C -1.217 176.194 177.300 0.185 0.000 1.216 320 P CA -0.064 63.156 63.100 0.200 0.000 0.776 320 P CB 0.330 32.153 31.700 0.205 0.000 0.881 321 N N 2.657 121.457 118.700 0.166 0.000 2.453 321 N HA 0.078 4.818 4.740 0.000 0.000 0.253 321 N C 0.625 176.109 175.510 -0.044 0.000 1.252 321 N CA 0.033 53.139 53.050 0.093 0.000 0.917 321 N CB 0.176 38.708 38.487 0.074 0.000 1.117 321 N HN 0.295 nan 8.380 nan 0.000 0.442 322 R N 1.824 122.244 120.500 -0.132 0.000 2.570 322 R HA 0.111 4.451 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 -0.898 55.077 56.100 -0.208 0.000 1.065 322 R CB -0.077 30.029 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 -0.961 176.174 177.300 -0.274 0.000 1.218 323 P CA -0.110 62.765 63.100 -0.375 0.000 0.780 323 P CB 0.652 32.127 31.700 -0.376 0.000 0.901 324 N N 1.742 120.187 118.700 -0.424 0.000 2.629 324 N HA 0.212 4.952 4.740 0.000 0.000 0.277 324 N C -1.767 173.578 175.510 -0.275 0.000 1.188 324 N CA -0.409 52.506 53.050 -0.224 0.000 0.835 324 N CB 0.163 38.578 38.487 -0.121 0.000 1.420 324 N HN 0.143 nan 8.380 nan 0.000 0.542 325 Y N 2.752 123.084 120.300 0.054 0.000 2.319 325 Y HA 0.481 5.031 4.550 0.000 0.000 0.328 325 Y C 0.579 176.586 175.900 0.178 0.000 1.133 325 Y CA -0.105 58.091 58.100 0.160 0.000 1.265 325 Y CB 0.914 39.457 38.460 0.140 0.000 1.218 325 Y HN 0.308 nan 8.280 nan 0.000 0.508 326 I N 2.923 123.733 120.570 0.401 0.000 2.533 326 I HA 0.774 4.944 4.170 0.000 0.000 0.290 326 I C -0.455 175.620 176.117 -0.071 0.000 1.056 326 I CA -0.692 60.656 61.300 0.080 0.000 1.057 326 I CB 1.749 39.723 38.000 -0.044 0.000 1.240 326 I HN 0.721 nan 8.210 nan 0.000 0.423 327 A N 4.709 127.460 122.820 -0.115 0.000 2.536 327 A HA 0.743 5.063 4.320 0.000 0.000 0.293 327 A C -1.538 175.939 177.584 -0.178 0.000 1.119 327 A CA -0.552 51.379 52.037 -0.176 0.000 0.654 327 A CB 0.776 19.758 19.000 -0.032 0.000 1.291 327 A HN 0.395 nan 8.150 nan 0.000 0.439 328 F N 1.291 121.221 119.950 -0.033 0.000 2.444 328 F HA 0.475 5.002 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 0.479 58.489 58.000 0.017 0.000 1.262 328 F CB 0.667 39.760 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 0.220 0.000 2.649 329 R HA 0.104 4.444 4.340 0.000 0.000 0.270 329 R C -0.698 175.580 176.300 -0.036 0.000 1.105 329 R CA -0.829 55.321 56.100 0.083 0.000 1.193 329 R CB 0.178 30.545 30.300 0.112 0.000 1.120 329 R HN 0.507 nan 8.270 nan 0.000 0.561 330 D N 0.794 121.174 120.400 -0.034 0.000 2.487 330 D HA -0.082 4.558 4.640 0.000 0.000 0.243 330 D C -0.316 175.949 176.300 -0.057 0.000 1.154 330 D CA 0.911 54.871 54.000 -0.066 0.000 0.876 330 D CB -0.026 40.763 40.800 -0.019 0.000 1.161 330 D HN 0.599 nan 8.370 nan 0.000 0.478 331 N N 2.766 121.390 118.700 -0.125 0.000 2.714 331 N HA -0.285 4.455 4.740 0.000 0.000 0.250 331 N C -0.229 175.301 175.510 0.034 0.000 1.117 331 N CA 0.478 53.509 53.050 -0.032 0.000 0.719 331 N CB -1.533 37.031 38.487 0.128 0.000 1.081 331 N HN 0.542 nan 8.380 nan 0.000 0.557 332 F N -1.929 118.065 119.950 0.072 0.000 3.091 332 F HA -0.271 4.256 4.527 0.000 0.000 0.288 332 F C 0.525 176.373 175.800 0.079 0.000 0.907 332 F CA 0.080 58.112 58.000 0.054 0.000 1.028 332 F CB -1.457 37.545 39.000 0.004 0.000 1.022 332 F HN 0.197 nan 8.300 nan 0.000 0.665 333 I N 0.829 121.516 120.570 0.196 0.000 2.775 333 I HA 0.107 4.277 4.170 0.000 0.000 0.290 333 I C 1.558 177.787 176.117 0.187 0.000 1.203 333 I CA 1.582 62.985 61.300 0.171 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 4.488 113.388 108.800 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 0.872 175.819 174.900 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 0.024 121.340 121.223 0.155 0.000 2.046 335 L HA 0.251 4.591 4.340 0.000 0.000 0.208 335 L C 1.777 178.687 176.870 0.067 0.000 1.077 335 L CA 1.261 56.205 54.840 0.174 0.000 0.747 335 L CB -0.162 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 -1.967 117.592 119.600 -0.068 0.000 2.423 336 M HA 0.224 4.704 4.480 0.000 0.000 0.335 336 M C -1.144 174.950 176.300 -0.343 0.000 1.177 336 M CA -0.505 54.593 55.300 -0.337 0.000 1.038 336 M CB 1.636 33.909 32.600 -0.546 0.000 1.641 336 M HN -0.197 nan 8.290 nan 0.000 0.455 337 Y N 1.637 121.767 120.300 -0.284 0.000 2.335 337 Y HA 0.293 4.843 4.550 0.000 0.000 0.331 337 Y C -0.922 174.831 175.900 -0.245 0.000 1.094 337 Y CA 0.542 58.530 58.100 -0.186 0.000 1.253 337 Y CB 0.458 38.805 38.460 -0.189 0.000 1.203 337 Y HN 0.392 nan 8.280 nan 0.000 0.508 338 Y N 0.838 121.306 120.300 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 1.468 40.100 38.460 0.286 0.000 1.297 338 Y HN 0.643 nan 8.280 nan 0.000 0.463 339 N N 0.146 119.055 118.700 0.348 0.000 2.721 339 N HA -0.186 4.554 4.740 0.000 0.000 0.249 339 N C -1.002 174.604 175.510 0.160 0.000 1.072 339 N CA 1.136 54.332 53.050 0.244 0.000 0.710 339 N CB -1.298 37.356 38.487 0.278 0.000 0.993 339 N HN 0.401 nan 8.380 nan 0.000 0.547 340 S N -0.582 115.180 115.700 0.104 0.000 2.652 340 S HA 0.237 4.707 4.470 0.000 0.000 0.252 340 S C 1.396 175.970 174.600 -0.043 0.000 1.219 340 S CA -0.285 57.948 58.200 0.055 0.000 1.151 340 S CB 1.389 64.668 63.200 0.132 0.000 1.080 340 S HN 0.371 nan 8.310 nan 0.000 0.481 341 T N 0.126 114.654 114.554 -0.042 0.000 2.869 341 T HA -0.137 4.213 4.350 0.000 0.000 0.270 341 T C 1.907 176.538 174.700 -0.115 0.000 1.082 341 T CA 1.561 63.613 62.100 -0.081 0.000 1.123 341 T CB -0.373 68.463 68.868 -0.052 0.000 0.856 341 T HN 0.623 nan 8.240 nan 0.000 0.499 342 G N 1.222 109.955 108.800 -0.111 0.000 2.511 342 G HA2 -0.005 3.955 3.960 0.000 0.000 0.217 342 G HA3 -0.005 3.955 3.960 0.000 0.000 0.217 342 G C 0.991 175.755 174.900 -0.226 0.000 1.133 342 G CA 0.007 45.026 45.100 -0.134 0.000 0.792 342 G HN 0.581 nan 8.290 nan 0.000 0.539 343 N N 0.134 118.644 118.700 -0.316 0.000 2.642 343 N HA 0.186 4.926 4.740 0.000 0.000 0.308 343 N C -0.590 174.637 175.510 -0.472 0.000 1.914 343 N CA -0.202 52.556 53.050 -0.486 0.000 0.893 343 N CB 0.926 38.836 38.487 -0.961 0.000 1.322 343 N HN 0.213 nan 8.380 nan 0.000 0.490 344 M N 0.974 120.336 119.600 -0.397 0.000 2.228 344 M HA 0.216 4.696 4.480 0.000 0.000 0.351 344 M C 0.926 176.801 176.300 -0.708 0.000 1.233 344 M CA -0.036 54.980 55.300 -0.474 0.000 1.129 344 M CB 0.666 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 3.035 111.133 108.800 -1.169 0.000 2.636 345 G HA2 0.463 4.423 3.960 0.000 0.000 0.246 345 G HA3 0.463 4.423 3.960 0.000 0.000 0.246 345 G C -1.206 173.255 174.900 -0.732 0.000 1.216 345 G CA -0.639 43.402 45.100 -1.764 0.000 0.854 345 G HN 0.642 nan 8.290 nan 0.000 0.572 346 V N 0.932 120.665 119.914 -0.303 0.000 2.623 346 V HA 0.500 4.620 4.120 0.000 0.000 0.304 346 V C -0.892 175.390 176.094 0.313 0.000 1.054 346 V CA -0.616 61.692 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 0.676 nan 8.190 nan 0.000 0.424 347 L N 4.818 126.196 121.223 0.259 0.000 2.504 347 L HA 0.951 5.291 4.340 0.000 0.000 0.265 347 L C -0.397 176.584 176.870 0.185 0.000 0.975 347 L CA -0.054 54.942 54.840 0.261 0.000 0.864 347 L CB 1.280 43.450 42.059 0.184 0.000 1.212 347 L HN 0.859 nan 8.230 nan 0.000 0.416 348 A N 2.966 125.912 122.820 0.210 0.000 2.549 348 A HA 0.843 5.163 4.320 0.000 0.000 0.297 348 A C -0.201 177.529 177.584 0.243 0.000 1.061 348 A CA -0.200 51.956 52.037 0.198 0.000 0.690 348 A CB 1.277 20.355 19.000 0.129 0.000 1.287 348 A HN 0.903 nan 8.150 nan 0.000 0.402 349 G N -0.175 108.758 108.800 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 0.399 175.299 174.900 -0.001 0.000 1.263 349 G CA -0.080 45.056 45.100 0.060 0.000 0.846 349 G HN 0.842 nan 8.290 nan 0.000 0.555 350 Q N 1.361 121.116 119.800 -0.075 0.000 2.050 350 Q HA -0.173 4.167 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 1.733 57.515 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 0.060 122.851 122.820 -0.048 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 1.769 53.789 52.037 -0.028 0.000 0.623 351 A CB -0.741 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 -1.795 113.912 115.700 0.012 0.000 2.368 352 S HA -0.231 4.239 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 1.726 59.951 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 -1.196 118.627 119.800 0.038 0.000 2.177 353 Q HA -0.199 4.141 4.340 0.000 0.000 0.174 353 Q C -0.222 175.805 176.000 0.045 0.000 0.609 353 Q CA 1.030 56.854 55.803 0.035 0.000 1.453 353 Q CB -1.341 27.409 28.738 0.020 0.000 1.591 353 Q HN 0.444 nan 8.270 nan 0.000 0.818 354 L N 2.218 123.477 121.223 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 0.739 55.620 54.840 0.067 0.000 0.839 354 L CB 0.771 42.877 42.059 0.079 0.000 1.133 354 L HN 0.193 nan 8.230 nan 0.000 0.453 355 N N 3.108 121.849 118.700 0.069 0.000 2.420 355 N HA 0.141 4.881 4.740 0.000 0.000 0.262 355 N C 0.852 176.433 175.510 0.118 0.000 1.144 355 N CA 0.130 53.226 53.050 0.076 0.000 0.952 355 N CB 1.157 39.659 38.487 0.024 0.000 1.081 355 N HN 0.781 nan 8.380 nan 0.000 0.480 356 A N 3.725 126.636 122.820 0.152 0.000 2.119 356 A HA 0.042 4.362 4.320 0.000 0.000 0.217 356 A C 0.617 178.384 177.584 0.304 0.000 1.153 356 A CA 0.446 52.609 52.037 0.210 0.000 0.692 356 A CB 0.207 19.302 19.000 0.159 0.000 0.799 356 A HN 0.463 nan 8.150 nan 0.000 0.458 357 V N 1.005 121.039 119.914 0.200 0.000 2.406 357 V HA 0.362 4.482 4.120 0.000 0.000 0.272 357 V C -0.582 175.499 176.094 -0.022 0.000 1.043 357 V CA -0.187 62.204 62.300 0.151 0.000 0.915 357 V CB 1.252 33.064 31.823 -0.018 0.000 0.988 357 V HN 0.085 nan 8.190 nan 0.000 0.466 358 V N 4.456 124.283 119.914 -0.145 0.000 2.419 358 V HA 0.440 4.560 4.120 0.000 0.000 0.287 358 V C -0.556 175.366 176.094 -0.286 0.000 1.017 358 V CA -0.549 61.523 62.300 -0.380 0.000 0.844 358 V CB 1.646 33.018 31.823 -0.751 0.000 1.011 358 V HN 0.824 nan 8.190 nan 0.000 0.429 359 D N 3.313 123.619 120.400 -0.156 0.000 2.326 359 D HA 0.770 5.410 4.640 0.000 0.000 0.248 359 D C -0.857 175.465 176.300 0.038 0.000 1.001 359 D CA -0.267 53.744 54.000 0.018 0.000 0.961 359 D CB 2.241 43.000 40.800 -0.068 0.000 1.183 359 D HN 0.350 nan 8.370 nan 0.000 0.502 360 L N 1.015 122.318 121.223 0.133 0.000 2.388 360 L HA 0.331 4.671 4.340 0.000 0.000 0.264 360 L C 1.011 177.958 176.870 0.129 0.000 0.998 360 L CA -0.667 54.237 54.840 0.106 0.000 0.817 360 L CB 2.220 44.353 42.059 0.124 0.000 1.338 360 L HN 0.387 nan 8.230 nan 0.000 0.414 361 Q N -1.010 118.846 119.800 0.093 0.000 2.415 361 Q HA -0.044 4.296 4.340 0.000 0.000 0.206 361 Q C 0.172 176.241 176.000 0.115 0.000 0.946 361 Q CA 0.505 56.369 55.803 0.101 0.000 0.951 361 Q CB 0.213 28.987 28.738 0.059 0.000 1.026 361 Q HN 0.596 nan 8.270 nan 0.000 0.510 362 D N 0.836 121.309 120.400 0.122 0.000 2.354 362 D HA 0.038 4.678 4.640 0.000 0.000 0.209 362 D C -0.039 176.355 176.300 0.158 0.000 1.015 362 D CA 0.061 54.137 54.000 0.125 0.000 0.867 362 D CB 0.405 41.268 40.800 0.105 0.000 0.933 362 D HN 0.222 nan 8.370 nan 0.000 0.520 363 R N 0.314 120.924 120.500 0.183 0.000 2.573 363 R HA 0.301 4.641 4.340 0.000 0.000 0.272 363 R C -0.709 175.715 176.300 0.206 0.000 1.009 363 R CA -0.517 55.699 56.100 0.193 0.000 1.059 363 R CB 0.681 31.133 30.300 0.253 0.000 1.112 363 R HN -0.202 nan 8.270 nan 0.000 0.517 364 N N 1.256 120.047 118.700 0.152 0.000 2.746 364 N HA 0.126 4.866 4.740 0.000 0.000 0.250 364 N C -0.376 175.172 175.510 0.064 0.000 1.146 364 N CA -0.189 52.920 53.050 0.099 0.000 0.828 364 N CB 1.423 39.895 38.487 -0.025 0.000 1.158 364 N HN 0.573 nan 8.380 nan 0.000 0.519 365 T N 0.903 115.513 114.554 0.093 0.000 2.746 365 T HA -0.080 4.270 4.350 0.000 0.000 0.267 365 T C 1.354 176.004 174.700 -0.082 0.000 1.039 365 T CA 1.117 63.209 62.100 -0.013 0.000 1.142 365 T CB 0.207 68.984 68.868 -0.152 0.000 0.866 365 T HN 0.443 nan 8.240 nan 0.000 0.444 366 E N 0.869 121.038 120.200 -0.052 0.000 2.051 366 E HA -0.089 4.261 4.350 0.000 0.000 0.192 366 E C 2.257 178.865 176.600 0.012 0.000 0.991 366 E CA 0.831 57.226 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 1.080 122.280 121.223 -0.039 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 -0.025 0.000 1.085 367 L CA 1.668 56.468 54.840 -0.067 0.000 0.755 367 L CB -0.687 41.313 42.059 -0.099 0.000 0.904 367 L HN -0.019 nan 8.230 nan 0.000 0.435 368 S N -1.681 114.028 115.700 0.016 0.000 2.383 368 S HA -0.304 4.166 4.470 0.000 0.000 0.229 368 S C 2.110 176.742 174.600 0.054 0.000 1.030 368 S CA 1.603 59.841 58.200 0.064 0.000 1.002 368 S CB -0.597 62.638 63.200 0.058 0.000 0.829 368 S HN 0.650 nan 8.310 nan 0.000 0.467 369 Y N 1.391 121.640 120.300 -0.086 0.000 2.314 369 Y HA -0.012 4.538 4.550 0.000 0.000 0.293 369 Y C 2.570 178.401 175.900 -0.115 0.000 1.129 369 Y CA 1.507 59.539 58.100 -0.114 0.000 1.201 369 Y CB -0.143 38.243 38.460 -0.123 0.000 0.999 369 Y HN 0.266 nan 8.280 nan 0.000 0.541 370 Q N 0.248 120.036 119.800 -0.020 0.000 2.046 370 Q HA -0.163 4.177 4.340 0.000 0.000 0.200 370 Q C 2.341 178.260 176.000 -0.134 0.000 0.975 370 Q CA 1.672 57.432 55.803 -0.072 0.000 0.836 370 Q CB -0.506 28.162 28.738 -0.117 0.000 0.896 370 Q HN 0.541 nan 8.270 nan 0.000 0.428 371 L N 0.264 121.377 121.223 -0.184 0.000 2.156 371 L HA -0.151 4.189 4.340 0.000 0.000 0.208 371 L C 2.412 179.029 176.870 -0.421 0.000 1.095 371 L CA 0.363 55.112 54.840 -0.150 0.000 0.770 371 L CB -0.490 41.586 42.059 0.029 0.000 0.914 371 L HN 0.184 nan 8.230 nan 0.000 0.439 372 L N 0.179 120.995 121.223 -0.678 0.000 2.017 372 L HA -0.203 4.137 4.340 0.000 0.000 0.208 372 L C 2.354 178.866 176.870 -0.597 0.000 1.073 372 L CA 1.731 55.961 54.840 -1.017 0.000 0.745 372 L CB -0.392 41.252 42.059 -0.691 0.000 0.894 372 L HN 0.090 nan 8.230 nan 0.000 0.432 373 L N -0.455 120.483 121.223 -0.475 0.000 2.083 373 L HA -0.228 4.112 4.340 0.000 0.000 0.209 373 L C 2.279 179.055 176.870 -0.157 0.000 1.083 373 L CA 1.623 56.276 54.840 -0.311 0.000 0.752 373 L CB -0.757 41.133 42.059 -0.281 0.000 0.899 373 L HN 0.397 nan 8.230 nan 0.000 0.433 374 D N -0.371 119.980 120.400 -0.081 0.000 2.178 374 D HA -0.177 4.463 4.640 0.000 0.000 0.201 374 D C 2.235 178.522 176.300 -0.023 0.000 0.980 374 D CA 1.354 55.358 54.000 0.007 0.000 0.842 374 D CB 0.168 41.093 40.800 0.208 0.000 0.948 374 D HN 0.299 nan 8.370 nan 0.000 0.472 375 S N -0.284 115.358 115.700 -0.096 0.000 2.446 375 S HA -0.073 4.397 4.470 0.000 0.000 0.225 375 S C 1.941 176.519 174.600 -0.037 0.000 1.016 375 S CA 0.548 58.722 58.200 -0.042 0.000 0.943 375 S CB -0.626 62.542 63.200 -0.054 0.000 0.786 375 S HN 0.546 nan 8.310 nan 0.000 0.508 376 I N -2.028 118.489 120.570 -0.088 0.000 3.941 376 I HA 0.653 4.823 4.170 0.000 0.000 0.335 376 I C 0.614 176.708 176.117 -0.038 0.000 1.402 376 I CA -0.451 60.816 61.300 -0.055 0.000 1.112 376 I CB 0.173 38.126 38.000 -0.078 0.000 1.043 376 I HN 0.326 nan 8.210 nan 0.000 0.395 377 G N 0.523 109.303 108.800 -0.034 0.000 2.488 377 G HA2 0.124 4.083 3.960 0.000 0.000 0.301 377 G HA3 0.124 4.083 3.960 0.000 0.000 0.301 377 G C -2.061 172.827 174.900 -0.021 0.000 1.339 377 G CA -0.464 44.623 45.100 -0.023 0.000 0.803 377 G HN 0.023 nan 8.290 nan 0.000 0.482 378 D N -0.174 120.213 120.400 -0.022 0.000 2.468 378 D HA 0.274 4.914 4.640 0.000 0.000 0.218 378 D C 1.357 177.641 176.300 -0.028 0.000 1.155 378 D CA -0.665 53.316 54.000 -0.031 0.000 0.924 378 D CB 1.265 42.042 40.800 -0.039 0.000 1.029 378 D HN 0.272 nan 8.370 nan 0.000 0.515 379 R N 1.302 121.780 120.500 -0.036 0.000 2.377 379 R HA -0.071 4.269 4.340 0.000 0.000 0.207 379 R C 1.802 178.098 176.300 -0.007 0.000 1.075 379 R CA 1.153 57.241 56.100 -0.020 0.000 1.035 379 R CB -0.604 29.657 30.300 -0.065 0.000 0.857 379 R HN 0.447 nan 8.270 nan 0.000 0.475 380 T N -2.855 111.672 114.554 -0.046 0.000 3.081 380 T HA 0.176 4.526 4.350 0.000 0.000 0.255 380 T C 0.714 175.319 174.700 -0.158 0.000 1.113 380 T CA -0.130 61.924 62.100 -0.077 0.000 1.082 380 T CB 0.102 68.901 68.868 -0.115 0.000 0.939 380 T HN -0.063 nan 8.240 nan 0.000 0.506 381 R N 1.136 121.580 120.500 -0.092 0.000 2.410 381 R HA 0.394 4.734 4.340 0.000 0.000 0.288 381 R C -0.957 175.397 176.300 0.089 0.000 1.051 381 R CA -0.502 55.521 56.100 -0.128 0.000 1.021 381 R CB 0.524 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 1.776 122.001 120.300 -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 -0.143 0.000 1.182 382 Y CB 0.928 39.054 38.460 -0.557 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 0.123 0.000 2.828 383 F HA 0.191 4.718 4.527 0.000 0.000 0.355 383 F C 0.878 176.723 175.800 0.074 0.000 1.200 383 F CA -0.599 57.448 58.000 0.078 0.000 1.062 383 F CB 1.440 40.485 39.000 0.075 0.000 1.351 383 F HN 0.562 nan 8.300 nan 0.000 0.504 384 S N 4.923 120.763 115.700 0.233 0.000 2.400 384 S HA -0.262 4.208 4.470 0.000 0.000 0.232 384 S C 1.956 176.352 174.600 -0.341 0.000 1.025 384 S CA 1.353 59.562 58.200 0.015 0.000 0.993 384 S CB -0.267 62.990 63.200 0.094 0.000 0.808 384 S HN 0.907 nan 8.310 nan 0.000 0.478 385 M N -0.019 119.060 119.600 -0.869 0.000 2.082 385 M HA -0.072 4.408 4.480 0.000 0.000 0.258 385 M C 1.150 176.971 176.300 -0.798 0.000 1.069 385 M CA 1.856 56.499 55.300 -1.096 0.000 1.102 385 M CB -0.216 31.338 32.600 -1.742 0.000 1.336 385 M HN 0.553 nan 8.290 nan 0.000 0.404 386 W N -0.374 120.545 121.300 -0.635 0.000 3.316 386 W HA 0.225 4.885 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 -0.669 56.527 57.345 -0.248 0.000 1.805 386 W CB -0.109 29.243 29.460 -0.180 0.000 1.090 386 W HN 0.359 nan 8.180 nan 0.000 0.654 387 N N 1.420 119.951 118.700 -0.282 0.000 2.754 387 N HA -0.259 4.481 4.740 0.000 0.000 0.248 387 N C -0.033 175.340 175.510 -0.229 0.000 1.093 387 N CA 0.692 53.475 53.050 -0.445 0.000 0.699 387 N CB -1.108 36.597 38.487 -1.302 0.000 1.016 387 N HN 0.335 nan 8.380 nan 0.000 0.552 388 Q N 0.267 120.041 119.800 -0.044 0.000 2.534 388 Q HA 0.495 4.835 4.340 0.000 0.000 0.223 388 Q C -0.862 175.141 176.000 0.006 0.000 1.239 388 Q CA 0.261 56.105 55.803 0.068 0.000 0.936 388 Q CB 0.081 28.976 28.738 0.262 0.000 1.457 388 Q HN 0.409 nan 8.270 nan 0.000 0.547 389 A N 3.958 126.697 122.820 -0.135 0.000 2.679 389 A HA 0.270 4.590 4.320 0.000 0.000 0.288 389 A C -0.878 176.583 177.584 -0.205 0.000 1.160 389 A CA -0.571 51.198 52.037 -0.446 0.000 0.763 389 A CB 1.117 19.600 19.000 -0.862 0.000 1.270 389 A HN 0.511 nan 8.150 nan 0.000 0.417 390 V N 2.637 122.538 119.914 -0.021 0.000 2.788 390 V HA 0.048 4.168 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 0.024 0.000 1.173 390 V CB 0.496 32.350 31.823 0.052 0.000 0.925 390 V HN 0.813 nan 8.190 nan 0.000 0.492 391 D N 4.377 124.797 120.400 0.033 0.000 2.389 391 D HA 0.391 5.031 4.640 0.000 0.000 0.247 391 D C 0.033 176.479 176.300 0.242 0.000 1.128 391 D CA 0.511 54.576 54.000 0.107 0.000 0.884 391 D CB 1.352 42.163 40.800 0.018 0.000 1.194 391 D HN 0.831 nan 8.370 nan 0.000 0.441 392 S N 1.033 116.926 115.700 0.322 0.000 2.688 392 S HA 0.724 5.194 4.470 0.000 0.000 0.275 392 S C -1.119 173.520 174.600 0.064 0.000 1.175 392 S CA -0.990 57.324 58.200 0.190 0.000 0.818 392 S CB 1.595 64.794 63.200 -0.001 0.000 1.157 392 S HN 0.547 nan 8.310 nan 0.000 0.482 393 Y N -1.090 119.130 120.300 -0.133 0.000 2.644 393 Y HA 0.745 5.295 4.550 0.000 0.000 0.338 393 Y C -1.085 174.681 175.900 -0.223 0.000 1.119 393 Y CA -1.217 56.710 58.100 -0.290 0.000 1.060 393 Y CB 0.652 38.783 38.460 -0.548 0.000 1.294 393 Y HN 0.617 nan 8.280 nan 0.000 0.472 394 D N 2.056 122.470 120.400 0.024 0.000 2.343 394 D HA 0.240 4.880 4.640 0.000 0.000 0.255 394 D C -1.907 174.467 176.300 0.123 0.000 1.187 394 D CA -2.293 51.719 54.000 0.020 0.000 0.875 394 D CB 1.734 42.511 40.800 -0.039 0.000 1.136 394 D HN 0.356 nan 8.370 nan 0.000 0.469 395 P HA -0.099 nan 4.420 nan 0.000 0.216 395 P C 0.510 177.856 177.300 0.077 0.000 1.150 395 P CA 0.883 64.057 63.100 0.123 0.000 0.837 395 P CB 0.325 32.056 31.700 0.051 0.000 0.786 396 D N -1.448 119.006 120.400 0.091 0.000 2.348 396 D HA -0.037 4.603 4.640 0.000 0.000 0.216 396 D C 1.717 178.128 176.300 0.186 0.000 0.970 396 D CA 0.699 54.785 54.000 0.144 0.000 0.889 396 D CB 0.023 40.920 40.800 0.162 0.000 0.912 396 D HN 0.095 nan 8.370 nan 0.000 0.524 397 V N 0.432 120.376 119.914 0.051 0.000 2.685 397 V HA -0.055 4.065 4.120 0.000 0.000 0.244 397 V C 2.378 178.338 176.094 -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 31.554 31.823 -0.383 0.000 0.725 397 V HN -0.028 nan 8.190 nan 0.000 0.467 398 R N 0.738 121.065 120.500 -0.287 0.000 2.075 398 R HA 0.068 4.408 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 1.528 57.377 56.100 -0.417 0.000 0.963 398 R CB -0.156 29.751 30.300 -0.655 0.000 0.858 398 R HN 0.455 nan 8.270 nan 0.000 0.435 399 I N 1.598 122.100 120.570 -0.114 0.000 2.411 399 I HA 0.270 4.440 4.170 0.000 0.000 0.284 399 I C -0.626 175.511 176.117 0.032 0.000 1.012 399 I CA -0.758 60.504 61.300 -0.063 0.000 1.119 399 I CB 1.947 39.914 38.000 -0.055 0.000 1.261 399 I HN -0.021 nan 8.210 nan 0.000 0.448 400 I N 5.884 126.497 120.570 0.071 0.000 2.517 400 I HA 0.079 4.249 4.170 0.000 0.000 0.285 400 I C 0.653 176.881 176.117 0.184 0.000 1.106 400 I CA 0.309 61.711 61.300 0.170 0.000 1.402 400 I CB 0.393 38.504 38.000 0.186 0.000 1.399 400 I HN 0.616 nan 8.210 nan 0.000 0.535 401 E N 6.690 127.000 120.200 0.183 0.000 2.173 401 E HA 0.109 4.459 4.350 0.000 0.000 0.249 401 E C -0.667 175.956 176.600 0.038 0.000 0.923 401 E CA -0.505 55.965 56.400 0.116 0.000 0.754 401 E CB 0.587 30.341 29.700 0.090 0.000 1.177 401 E HN 0.430 nan 8.360 nan 0.000 0.430 402 N N 2.861 121.627 118.700 0.110 0.000 2.719 402 N HA -0.009 4.731 4.740 0.000 0.000 0.243 402 N C -0.157 175.309 175.510 -0.072 0.000 1.104 402 N CA -0.115 52.977 53.050 0.070 0.000 0.981 402 N CB 0.082 38.736 38.487 0.278 0.000 1.290 402 N HN 0.500 nan 8.380 nan 0.000 0.513 403 H N 1.216 120.198 119.070 -0.146 0.000 2.538 403 H HA 0.439 4.995 4.556 0.000 0.000 0.286 403 H C 1.261 176.475 175.328 -0.190 0.000 1.035 403 H CA -0.165 55.799 56.048 -0.141 0.000 1.169 403 H CB -0.211 29.464 29.762 -0.146 0.000 1.417 403 H HN 0.508 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 -0.169 3.791 3.960 0.000 0.000 0.235 404 G HA3 -0.169 3.791 3.960 0.000 0.000 0.235 404 G C -0.157 174.540 174.900 -0.339 0.000 1.286 404 G CA -0.008 44.975 45.100 -0.195 0.000 0.904 404 G HN 1.092 nan 8.290 nan 0.000 0.577 405 T N -2.518 111.946 114.554 -0.151 0.000 2.909 405 T HA 0.692 5.042 4.350 0.000 0.000 0.299 405 T C -0.580 174.084 174.700 -0.061 0.000 1.073 405 T CA -0.214 61.808 62.100 -0.129 0.000 0.999 405 T CB 2.322 71.155 68.868 -0.057 0.000 1.098 405 T HN 0.692 nan 8.240 nan 0.000 0.477 406 E N 2.265 122.430 120.200 -0.058 0.000 1.932 406 E HA 0.186 4.536 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 0.121 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 1.370 121.748 120.400 -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 0.372 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 0.317 120.493 120.200 -0.040 0.000 2.085 408 E HA -0.000 4.350 4.350 0.000 0.000 0.194 408 E C 0.575 177.151 176.600 -0.040 0.000 0.994 408 E CA 0.842 57.221 56.400 -0.035 0.000 0.801 408 E CB 0.074 29.758 29.700 -0.027 0.000 0.743 408 E HN 0.423 nan 8.360 nan 0.000 0.453 409 L N 2.488 123.683 121.223 -0.046 0.000 2.326 409 L HA 0.286 4.626 4.340 0.000 0.000 0.278 409 L C -1.970 174.834 176.870 -0.111 0.000 1.092 409 L CA -2.080 52.729 54.840 -0.052 0.000 0.810 409 L CB 0.597 42.636 42.059 -0.033 0.000 1.153 409 L HN 0.035 nan 8.230 nan 0.000 0.439 410 P HA 0.175 nan 4.420 nan 0.000 0.277 410 P C -1.475 175.497 177.300 -0.546 0.000 1.240 410 P CA -0.532 62.344 63.100 -0.373 0.000 0.798 410 P CB 0.840 32.292 31.700 -0.413 0.000 0.979 411 N N 1.172 119.499 118.700 -0.622 0.000 2.372 411 N HA 0.413 5.153 4.740 0.000 0.000 0.285 411 N C -0.997 174.137 175.510 -0.626 0.000 1.008 411 N CA -0.476 52.287 53.050 -0.478 0.000 0.880 411 N CB 1.065 39.410 38.487 -0.237 0.000 1.239 411 N HN 0.408 nan 8.380 nan 0.000 0.484 412 Y N -0.130 120.055 120.300 -0.191 0.000 2.602 412 Y HA 0.640 5.190 4.550 0.000 0.000 0.342 412 Y C 0.170 175.713 175.900 -0.595 0.000 1.029 412 Y CA -1.243 56.583 58.100 -0.457 0.000 1.080 412 Y CB 1.184 39.213 38.460 -0.718 0.000 1.284 412 Y HN 0.481 nan 8.280 nan 0.000 0.485 413 C N -0.110 118.868 119.300 -0.536 0.000 2.507 413 C HA 0.897 5.357 4.460 0.000 0.000 0.319 413 C C -0.975 173.604 174.990 -0.685 0.000 1.208 413 C CA -1.136 57.634 59.018 -0.413 0.000 1.619 413 C CB -0.412 27.224 27.740 -0.173 0.000 2.230 413 C HN 0.631 nan 8.230 nan 0.000 0.492 414 F N 0.205 120.146 119.950 -0.014 0.000 2.639 414 F HA 0.755 5.282 4.527 0.000 0.000 0.339 414 F C -2.033 173.766 175.800 -0.001 0.000 1.071 414 F CA -2.322 55.658 58.000 -0.033 0.000 0.994 414 F CB 0.242 39.214 39.000 -0.047 0.000 1.341 414 F HN 0.362 nan 8.300 nan 0.000 0.498 415 P HA 0.209 nan 4.420 nan 0.000 0.269 415 P C 0.723 178.034 177.300 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 1.113 122.323 121.223 -0.022 0.000 2.083 416 L HA -0.124 4.216 4.340 0.000 0.000 0.209 416 L C 2.481 179.001 176.870 -0.583 0.000 1.083 416 L CA 1.908 56.654 54.840 -0.157 0.000 0.752 416 L CB -1.168 40.887 42.059 -0.008 0.000 0.899 416 L HN 0.599 nan 8.230 nan 0.000 0.433 417 G N -0.862 107.466 108.800 -0.785 0.000 2.422 417 G HA2 0.027 3.987 3.960 0.000 0.000 0.218 417 G HA3 0.027 3.987 3.960 0.000 0.000 0.218 417 G C 1.303 175.727 174.900 -0.793 0.000 1.146 417 G CA 0.922 45.028 45.100 -1.656 0.000 0.769 417 G HN 0.579 nan 8.290 nan 0.000 0.547 418 G N -2.505 106.076 108.800 -0.364 0.000 2.184 418 G HA2 0.095 4.055 3.960 0.000 0.000 0.206 418 G HA3 0.095 4.055 3.960 0.000 0.000 0.206 418 G C 0.003 174.845 174.900 -0.095 0.000 0.995 418 G CA 0.345 45.319 45.100 -0.211 0.000 0.651 418 G HN 1.566 nan 8.290 nan 0.000 0.511 419 V N -0.527 119.358 119.914 -0.047 0.000 3.121 419 V HA 0.625 4.745 4.120 0.000 0.000 0.263 419 V C -0.295 175.861 176.094 0.103 0.000 1.795 419 V CA 0.165 62.496 62.300 0.053 0.000 0.979 419 V CB 1.761 33.609 31.823 0.043 0.000 1.335 419 V HN 0.650 nan 8.190 nan 0.000 0.462 420 I N 1.966 122.612 120.570 0.127 0.000 4.866 420 I HA 0.359 4.529 4.170 0.000 0.000 0.325 420 I C 0.298 176.457 176.117 0.069 0.000 1.240 420 I CA 0.053 61.427 61.300 0.123 0.000 1.355 420 I CB 0.760 38.831 38.000 0.117 0.000 1.395 420 I HN 0.677 nan 8.210 nan 0.000 0.479 421 N N 3.303 122.031 118.700 0.047 0.000 3.250 421 N HA 0.120 4.860 4.740 0.000 0.000 0.307 421 N C -0.165 175.364 175.510 0.032 0.000 1.355 421 N CA 0.208 53.267 53.050 0.015 0.000 1.192 421 N CB 0.002 38.486 38.487 -0.005 0.000 1.478 421 N HN 0.366 nan 8.380 nan 0.000 0.543 422 T N -1.651 112.929 114.554 0.043 0.000 2.899 422 T HA 0.305 4.655 4.350 0.000 0.000 0.295 422 T C 0.312 175.026 174.700 0.025 0.000 1.033 422 T CA -0.743 61.381 62.100 0.039 0.000 1.084 422 T CB 1.544 70.442 68.868 0.049 0.000 0.979 422 T HN 0.383 nan 8.240 nan 0.000 0.532 423 E N 0.827 121.040 120.200 0.021 0.000 2.212 423 E HA 0.414 4.764 4.350 0.000 0.000 0.268 423 E C -1.140 175.467 176.600 0.013 0.000 0.902 423 E CA -1.027 55.381 56.400 0.014 0.000 0.779 423 E CB 1.346 31.054 29.700 0.013 0.000 1.172 423 E HN 0.514 nan 8.360 nan 0.000 0.409 424 T N 3.968 118.527 114.554 0.008 0.000 2.779 424 T HA 0.295 4.645 4.350 0.000 0.000 0.296 424 T C 0.017 174.725 174.700 0.014 0.000 0.938 424 T CA -0.117 61.987 62.100 0.007 0.000 1.119 424 T CB -0.051 68.819 68.868 0.003 0.000 0.891 424 T HN 0.316 nan 8.240 nan 0.000 0.526 425 L N 2.256 123.491 121.223 0.020 0.000 2.283 425 L HA 0.648 4.988 4.340 0.000 0.000 0.259 425 L C 0.237 177.135 176.870 0.046 0.000 1.027 425 L CA -1.105 53.755 54.840 0.033 0.000 0.828 425 L CB 2.264 44.348 42.059 0.042 0.000 1.380 425 L HN 0.465 nan 8.230 nan 0.000 0.425 426 T N 0.469 115.061 114.554 0.063 0.000 2.829 426 T HA 0.275 4.625 4.350 0.000 0.000 0.280 426 T C -0.242 174.531 174.700 0.123 0.000 0.999 426 T CA -0.672 61.478 62.100 0.084 0.000 0.983 426 T CB 1.781 70.689 68.868 0.066 0.000 0.968 426 T HN 0.255 nan 8.240 nan 0.000 0.446 427 K N 2.177 122.679 120.400 0.170 0.000 2.469 427 K HA 0.320 4.640 4.320 0.000 0.000 0.274 427 K C -0.708 175.974 176.600 0.136 0.000 0.983 427 K CA 0.136 56.549 56.287 0.210 0.000 0.974 427 K CB 0.467 33.155 32.500 0.312 0.000 0.913 427 K HN 0.388 nan 8.250 nan 0.000 0.493 428 V N 3.601 123.593 119.914 0.130 0.000 2.971 428 V HA 0.414 4.534 4.120 0.000 0.000 0.309 428 V C -0.682 175.449 176.094 0.061 0.000 1.130 428 V CA -0.910 61.478 62.300 0.147 0.000 0.964 428 V CB 2.474 34.477 31.823 0.300 0.000 1.029 428 V HN 0.702 nan 8.190 nan 0.000 0.427 429 K N 4.010 124.426 120.400 0.028 0.000 2.426 429 K HA 0.616 4.936 4.320 0.000 0.000 0.251 429 K C -2.781 173.726 176.600 -0.155 0.000 0.941 429 K CA -1.705 54.524 56.287 -0.096 0.000 0.808 429 K CB 2.926 35.371 32.500 -0.091 0.000 1.265 429 K HN 0.386 nan 8.250 nan 0.000 0.432 430 P HA 0.163 nan 4.420 nan 0.000 0.282 430 P C -1.295 175.897 177.300 -0.180 0.000 1.287 430 P CA -0.399 62.460 63.100 -0.402 0.000 0.792 430 P CB 0.438 31.832 31.700 -0.509 0.000 1.163 431 K N -1.623 118.698 120.400 -0.132 0.000 6.806 431 K HA -0.109 4.211 4.320 0.000 0.000 0.764 431 K C 0.132 176.722 176.600 -0.016 0.000 2.469 431 K CA 0.650 56.900 56.287 -0.061 0.000 1.793 431 K CB -2.030 30.428 32.500 -0.069 0.000 2.301 431 K HN 0.842 nan 8.250 nan 0.000 0.246 432 T N -0.314 114.245 114.554 0.009 0.000 6.178 432 T HA -0.106 4.244 4.350 0.000 0.000 0.277 432 T C 0.872 175.601 174.700 0.049 0.000 2.183 432 T CA 1.279 63.393 62.100 0.025 0.000 3.733 432 T CB -1.229 67.654 68.868 0.025 0.000 0.719 432 T HN 0.966 nan 8.240 nan 0.000 0.455 433 G N 2.275 111.125 108.800 0.085 0.000 3.448 433 G HA2 0.421 4.381 3.960 0.000 0.000 0.261 433 G HA3 0.421 4.381 3.960 0.000 0.000 0.261 433 G C 0.251 175.218 174.900 0.111 0.000 1.173 433 G CA -0.129 45.038 45.100 0.110 0.000 0.835 433 G HN 0.676 nan 8.290 nan 0.000 0.534 434 Q N 0.414 120.261 119.800 0.079 0.000 2.454 434 Q HA 0.234 4.574 4.340 0.000 0.000 0.247 434 Q C -0.506 175.525 176.000 0.052 0.000 1.028 434 Q CA -0.128 55.716 55.803 0.067 0.000 0.910 434 Q CB 1.149 29.910 28.738 0.039 0.000 1.276 434 Q HN 0.272 nan 8.270 nan 0.000 0.489 435 E N 1.924 122.152 120.200 0.048 0.000 2.417 435 E HA -0.058 4.292 4.350 0.000 0.000 0.261 435 E C -0.648 176.007 176.600 0.092 0.000 1.000 435 E CA -0.168 56.265 56.400 0.056 0.000 0.919 435 E CB 0.131 29.857 29.700 0.043 0.000 0.955 435 E HN 0.467 nan 8.360 nan 0.000 0.455 436 N N 1.530 120.301 118.700 0.118 0.000 2.681 436 N HA -0.139 4.601 4.740 0.000 0.000 0.259 436 N C -0.595 175.124 175.510 0.347 0.000 1.066 436 N CA 1.110 54.296 53.050 0.226 0.000 0.717 436 N CB -1.301 37.318 38.487 0.219 0.000 0.885 436 N HN 0.646 nan 8.380 nan 0.000 0.547 437 G N -0.841 108.149 108.800 0.317 0.000 2.416 437 G HA2 0.654 4.614 3.960 0.000 0.000 0.329 437 G HA3 0.654 4.614 3.960 0.000 0.000 0.329 437 G C -0.852 174.373 174.900 0.542 0.000 1.173 437 G CA -0.680 44.651 45.100 0.385 0.000 0.929 437 G HN 0.182 nan 8.290 nan 0.000 0.475 438 W N 0.351 121.649 121.300 -0.003 0.000 2.736 438 W HA 0.674 5.334 4.660 0.000 0.000 0.335 438 W C 0.100 176.616 176.519 -0.004 0.000 1.059 438 W CA -1.204 56.138 57.345 -0.004 0.000 1.226 438 W CB 1.409 30.869 29.460 -0.001 0.000 1.416 438 W HN 0.467 nan 8.180 nan 0.000 0.505 439 E N 0.835 121.155 120.200 0.199 0.000 2.359 439 E HA 0.391 4.741 4.350 0.000 0.000 0.266 439 E C -0.642 176.014 176.600 0.093 0.000 0.920 439 E CA -1.225 55.243 56.400 0.114 0.000 0.788 439 E CB 2.419 32.157 29.700 0.063 0.000 1.279 439 E HN 0.182 nan 8.360 nan 0.000 0.438 440 K N 1.083 121.523 120.400 0.067 0.000 2.319 440 K HA 0.039 4.359 4.320 0.000 0.000 0.265 440 K C -0.368 176.250 176.600 0.031 0.000 1.000 440 K CA -0.007 56.314 56.287 0.056 0.000 0.943 440 K CB 0.362 32.890 32.500 0.046 0.000 0.950 440 K HN 0.353 nan 8.250 nan 0.000 0.485 441 D N 0.637 121.051 120.400 0.025 0.000 2.210 441 D HA 0.180 4.820 4.640 0.000 0.000 0.249 441 D C 0.183 176.482 176.300 -0.001 0.000 1.078 441 D CA -0.129 53.861 54.000 -0.016 0.000 0.875 441 D CB 1.770 42.531 40.800 -0.064 0.000 1.175 441 D HN 0.540 nan 8.370 nan 0.000 0.440 442 A N 2.343 125.152 122.820 -0.018 0.000 1.984 442 A HA -0.034 4.286 4.320 0.000 0.000 0.214 442 A C 1.464 179.049 177.584 0.001 0.000 1.173 442 A CA 0.899 52.935 52.037 -0.002 0.000 0.673 442 A CB -0.320 18.675 19.000 -0.007 0.000 0.830 442 A HN 0.611 nan 8.150 nan 0.000 0.453 443 T N 0.027 114.563 114.554 -0.031 0.000 3.500 443 T HA 0.230 4.580 4.350 0.000 0.000 0.244 443 T C 0.064 174.784 174.700 0.032 0.000 0.962 443 T CA -0.271 61.816 62.100 -0.022 0.000 0.932 443 T CB -0.829 67.995 68.868 -0.074 0.000 1.096 443 T HN 0.505 nan 8.240 nan 0.000 0.617 444 E N 0.591 120.851 120.200 0.099 0.000 2.458 444 E HA 0.142 4.492 4.350 0.000 0.000 0.264 444 E C -0.544 176.247 176.600 0.318 0.000 1.097 444 E CA -0.057 56.502 56.400 0.265 0.000 0.973 444 E CB 0.037 29.840 29.700 0.171 0.000 0.963 444 E HN 0.419 nan 8.360 nan 0.000 0.451 445 F N 0.184 120.135 119.950 0.001 0.000 2.744 445 F HA -0.226 4.301 4.527 0.000 0.000 0.377 445 F C 0.512 176.314 175.800 0.004 0.000 1.069 445 F CA 0.561 58.563 58.000 0.004 0.000 1.211 445 F CB -2.050 36.955 39.000 0.008 0.000 1.606 445 F HN 0.379 nan 8.300 nan 0.000 0.781 446 S N 0.389 116.125 115.700 0.060 0.000 2.599 446 S HA -0.006 4.464 4.470 0.000 0.000 0.303 446 S C 1.352 175.981 174.600 0.048 0.000 1.267 446 S CA 0.024 58.246 58.200 0.037 0.000 1.055 446 S CB 0.777 63.970 63.200 -0.011 0.000 0.790 446 S HN 0.545 nan 8.310 nan 0.000 0.500 447 D N 1.590 122.020 120.400 0.050 0.000 2.403 447 D HA -0.115 4.525 4.640 0.000 0.000 0.227 447 D C -0.040 176.277 176.300 0.030 0.000 0.995 447 D CA 0.739 54.770 54.000 0.050 0.000 0.928 447 D CB -0.215 40.609 40.800 0.041 0.000 0.887 447 D HN 0.672 nan 8.370 nan 0.000 0.529 448 K N 0.773 121.179 120.400 0.010 0.000 2.530 448 K HA 0.292 4.612 4.320 0.000 0.000 0.230 448 K C -0.881 175.704 176.600 -0.025 0.000 1.002 448 K CA -0.641 55.642 56.287 -0.006 0.000 1.014 448 K CB 0.942 33.433 32.500 -0.014 0.000 1.286 448 K HN -0.103 nan 8.250 nan 0.000 0.480 449 N N 2.030 120.718 118.700 -0.019 0.000 2.314 449 N HA 0.206 4.946 4.740 0.000 0.000 0.294 449 N C -1.028 174.470 175.510 -0.020 0.000 1.029 449 N CA -0.733 52.293 53.050 -0.040 0.000 0.845 449 N CB 1.852 40.309 38.487 -0.050 0.000 1.321 449 N HN 0.314 nan 8.380 nan 0.000 0.481 450 E N 1.433 121.619 120.200 -0.024 0.000 2.105 450 E HA 0.421 4.771 4.350 0.000 0.000 0.285 450 E C -0.361 176.246 176.600 0.011 0.000 1.055 450 E CA 0.043 56.442 56.400 -0.001 0.000 0.843 450 E CB 0.673 30.377 29.700 0.006 0.000 1.067 450 E HN 0.404 nan 8.360 nan 0.000 0.398 451 I N 2.700 123.281 120.570 0.018 0.000 2.498 451 I HA 0.384 4.554 4.170 0.000 0.000 0.290 451 I C -0.278 175.856 176.117 0.029 0.000 1.032 451 I CA -1.274 60.040 61.300 0.023 0.000 1.073 451 I CB 1.808 39.823 38.000 0.025 0.000 1.251 451 I HN 0.209 nan 8.210 nan 0.000 0.426 452 R N 5.584 126.104 120.500 0.032 0.000 2.297 452 R HA 0.539 4.879 4.340 0.000 0.000 0.308 452 R C -1.616 174.702 176.300 0.030 0.000 1.029 452 R CA -0.284 55.837 56.100 0.035 0.000 0.929 452 R CB 1.137 31.462 30.300 0.042 0.000 1.046 452 R HN 0.407 nan 8.270 nan 0.000 0.461 453 V N 5.525 125.456 119.914 0.029 0.000 2.347 453 V HA 0.792 4.912 4.120 0.000 0.000 0.280 453 V C 0.730 176.841 176.094 0.028 0.000 1.021 453 V CA 0.486 62.801 62.300 0.026 0.000 0.847 453 V CB 0.422 32.259 31.823 0.023 0.000 0.990 453 V HN 1.066 nan 8.190 nan 0.000 0.444 454 G N 5.097 113.912 108.800 0.024 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 -0.701 174.213 174.900 0.024 0.000 1.278 454 G CA -0.822 44.292 45.100 0.025 0.000 0.965 454 G HN 0.582 nan 8.290 nan 0.000 0.504 455 N N 0.961 119.675 118.700 0.023 0.000 2.424 455 N HA 0.326 5.066 4.740 0.000 0.000 0.257 455 N C 0.837 176.376 175.510 0.048 0.000 1.250 455 N CA 0.327 53.387 53.050 0.016 0.000 0.946 455 N CB 0.290 38.776 38.487 -0.000 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 0.049 0.000 2.317 456 N HA 0.066 4.806 4.740 0.000 0.000 0.245 456 N C -0.604 175.017 175.510 0.185 0.000 1.294 456 N CA -0.286 52.831 53.050 0.112 0.000 0.924 456 N CB 0.146 38.688 38.487 0.091 0.000 1.186 456 N HN 0.403 nan 8.380 nan 0.000 0.495 457 F N -0.326 119.670 119.950 0.076 0.000 2.438 457 F HA 0.566 5.093 4.527 0.000 0.000 0.356 457 F C -0.207 175.635 175.800 0.070 0.000 1.099 457 F CA -0.873 57.163 58.000 0.059 0.000 1.185 457 F CB -0.108 38.923 39.000 0.053 0.000 1.115 457 F HN 0.720 nan 8.300 nan 0.000 0.526 458 A N 7.532 129.946 122.820 -0.677 0.000 2.475 458 A HA 0.827 5.147 4.320 0.000 0.000 0.301 458 A C -1.235 175.918 177.584 -0.719 0.000 1.059 458 A CA -0.886 50.751 52.037 -0.668 0.000 0.710 458 A CB 1.531 20.223 19.000 -0.514 0.000 1.288 458 A HN 0.661 nan 8.150 nan 0.000 0.408 459 M N 1.343 120.630 119.600 -0.521 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 -0.132 0.000 1.121 459 M CA -0.215 54.906 55.300 -0.298 0.000 0.934 459 M CB 1.662 34.118 32.600 -0.239 0.000 1.692 459 M HN 0.951 nan 8.290 nan 0.000 0.444 460 E N 2.286 122.447 120.200 -0.065 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 -0.635 55.702 56.400 -0.106 0.000 0.799 460 E CB 2.571 32.226 29.700 -0.076 0.000 1.172 460 E HN 0.728 nan 8.360 nan 0.000 0.404 461 I N 3.056 123.507 120.570 -0.197 0.000 2.722 461 I HA 0.277 4.447 4.170 0.000 0.000 0.292 461 I C -1.762 174.258 176.117 -0.161 0.000 1.267 461 I CA -0.807 60.402 61.300 -0.151 0.000 1.036 461 I CB 2.003 39.941 38.000 -0.105 0.000 1.281 461 I HN 0.483 nan 8.210 nan 0.000 0.423 462 N N 7.487 126.110 118.700 -0.129 0.000 2.602 462 N HA 0.230 4.970 4.740 0.000 0.000 0.238 462 N C 0.691 176.169 175.510 -0.054 0.000 1.084 462 N CA -0.022 52.967 53.050 -0.102 0.000 0.952 462 N CB 0.773 39.208 38.487 -0.087 0.000 1.244 462 N HN 0.787 nan 8.380 nan 0.000 0.512 463 L N 3.346 124.535 121.223 -0.056 0.000 1.956 463 L HA -0.248 4.092 4.340 0.000 0.000 0.216 463 L C 1.733 178.611 176.870 0.014 0.000 1.073 463 L CA 1.568 56.395 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 0.604 nan 8.230 nan 0.000 0.433 464 N N -0.865 117.839 118.700 0.007 0.000 2.149 464 N HA -0.207 4.533 4.740 0.000 0.000 0.188 464 N C 1.758 177.321 175.510 0.090 0.000 1.019 464 N CA 1.076 54.144 53.050 0.031 0.000 0.857 464 N CB -0.146 38.338 38.487 -0.005 0.000 0.997 464 N HN 0.402 nan 8.380 nan 0.000 0.426 465 A N 1.247 124.115 122.820 0.080 0.000 1.930 465 A HA -0.120 4.200 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 1.113 53.237 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 0.086 118.843 118.700 0.095 0.000 2.058 466 N HA -0.104 4.636 4.740 0.000 0.000 0.191 466 N C 1.793 177.377 175.510 0.122 0.000 1.037 466 N CA 1.424 54.522 53.050 0.079 0.000 0.848 466 N CB -0.375 38.136 38.487 0.041 0.000 1.021 466 N HN 0.464 nan 8.380 nan 0.000 0.422 467 L N 0.121 121.430 121.223 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 1.191 56.140 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 0.947 122.285 121.300 0.062 0.000 2.355 468 W HA -0.278 4.382 4.660 0.000 0.000 0.309 468 W C 2.730 179.342 176.519 0.154 0.000 1.206 468 W CA 1.201 58.594 57.345 0.080 0.000 1.284 468 W CB -0.077 29.398 29.460 0.023 0.000 1.145 468 W HN 0.094 nan 8.180 nan 0.000 0.502 469 R N 0.633 121.179 120.500 0.077 0.000 2.083 469 R HA -0.193 4.147 4.340 0.000 0.000 0.237 469 R C 2.099 178.390 176.300 -0.016 0.000 1.137 469 R CA 2.027 58.074 56.100 -0.087 0.000 0.951 469 R CB -0.777 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 -0.379 118.369 118.700 0.079 0.000 2.149 470 N HA -0.209 4.531 4.740 0.000 0.000 0.188 470 N C 1.657 177.255 175.510 0.148 0.000 1.019 470 N CA 1.369 54.489 53.050 0.115 0.000 0.857 470 N CB -0.173 38.391 38.487 0.128 0.000 0.997 470 N HN 0.171 nan 8.380 nan 0.000 0.426 471 F N 2.084 122.053 119.950 0.031 0.000 2.113 471 F HA -0.060 4.467 4.527 0.000 0.000 0.297 471 F C 2.115 177.872 175.800 -0.072 0.000 1.103 471 F CA 0.992 59.011 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 -1.056 120.014 121.223 -0.256 0.000 2.046 472 L HA -0.239 4.101 4.340 0.000 0.000 0.208 472 L C 2.386 179.124 176.870 -0.221 0.000 1.077 472 L CA 1.777 56.387 54.840 -0.383 0.000 0.747 472 L CB -1.013 40.759 42.059 -0.478 0.000 0.896 472 L HN 0.250 nan 8.230 nan 0.000 0.432 473 Y N -0.259 119.915 120.300 -0.209 0.000 2.200 473 Y HA -0.272 4.278 4.550 0.000 0.000 0.290 473 Y C 2.988 178.826 175.900 -0.103 0.000 1.137 473 Y CA 1.754 59.770 58.100 -0.140 0.000 1.163 473 Y CB -0.007 38.385 38.460 -0.112 0.000 0.988 473 Y HN 0.113 nan 8.280 nan 0.000 0.518 474 S N -0.020 115.646 115.700 -0.057 0.000 2.368 474 S HA -0.167 4.303 4.470 0.000 0.000 0.224 474 S C 1.693 176.312 174.600 0.032 0.000 1.029 474 S CA 1.712 59.880 58.200 -0.054 0.000 0.988 474 S CB -0.368 62.867 63.200 0.058 0.000 0.838 474 S HN 0.612 nan 8.310 nan 0.000 0.462 475 N N 0.083 118.730 118.700 -0.088 0.000 2.409 475 N HA 0.244 4.984 4.740 0.000 0.000 0.174 475 N C 1.514 177.055 175.510 0.051 0.000 1.037 475 N CA 0.879 53.938 53.050 0.014 0.000 0.898 475 N CB 0.224 38.465 38.487 -0.409 0.000 1.010 475 N HN 0.462 nan 8.380 nan 0.000 0.445 476 I N 0.301 120.811 120.570 -0.101 0.000 3.345 476 I HA 0.119 4.289 4.170 0.000 0.000 0.258 476 I C 2.266 178.351 176.117 -0.053 0.000 1.134 476 I CA 0.179 61.445 61.300 -0.058 0.000 1.457 476 I CB -0.317 37.611 38.000 -0.120 0.000 1.425 476 I HN -0.136 nan 8.210 nan 0.000 0.461 477 A N 1.761 124.479 122.820 -0.170 0.000 1.859 477 A HA -0.237 4.083 4.320 0.000 0.000 0.218 477 A C 2.234 179.622 177.584 -0.327 0.000 1.209 477 A CA 1.883 53.772 52.037 -0.248 0.000 0.639 477 A CB -1.259 17.529 19.000 -0.354 0.000 0.835 477 A HN 0.396 nan 8.150 nan 0.000 0.450 478 L N -2.306 118.616 121.223 -0.502 0.000 2.353 478 L HA -0.184 4.156 4.340 0.000 0.000 0.220 478 L C 1.913 178.500 176.870 -0.472 0.000 1.133 478 L CA 0.991 55.514 54.840 -0.530 0.000 0.798 478 L CB -0.358 41.321 42.059 -0.634 0.000 0.922 478 L HN 0.544 nan 8.230 nan 0.000 0.445 479 Y N -0.977 119.192 120.300 -0.219 0.000 2.457 479 Y HA 0.174 4.724 4.550 0.000 0.000 0.263 479 Y C 1.064 176.900 175.900 -0.107 0.000 1.164 479 Y CA -0.592 57.424 58.100 -0.140 0.000 1.274 479 Y CB 0.080 38.491 38.460 -0.081 0.000 1.097 479 Y HN 0.012 nan 8.280 nan 0.000 0.523 480 L N 1.690 122.893 121.223 -0.033 0.000 2.482 480 L HA 0.051 4.391 4.340 0.000 0.000 0.273 480 L C -1.913 174.914 176.870 -0.071 0.000 1.228 480 L CA -1.745 53.063 54.840 -0.054 0.000 0.827 480 L CB 0.141 42.129 42.059 -0.117 0.000 1.099 480 L HN -0.077 nan 8.230 nan 0.000 0.494 481 P HA -0.065 nan 4.420 nan 0.000 0.266 481 P C -0.070 177.185 177.300 -0.075 0.000 1.193 481 P CA 0.073 63.146 63.100 -0.045 0.000 0.770 481 P CB 0.492 32.171 31.700 -0.036 0.000 0.836 482 D N 2.440 122.821 120.400 -0.031 0.000 2.221 482 D HA -0.191 4.449 4.640 0.000 0.000 0.204 482 D C 1.602 177.886 176.300 -0.026 0.000 0.982 482 D CA 1.322 55.309 54.000 -0.021 0.000 0.857 482 D CB -0.026 40.814 40.800 0.068 0.000 0.934 482 D HN 0.426 nan 8.370 nan 0.000 0.475 483 K N -0.052 120.332 120.400 -0.027 0.000 2.280 483 K HA -0.104 4.216 4.320 0.000 0.000 0.202 483 K C 1.730 178.296 176.600 -0.057 0.000 1.047 483 K CA 0.889 57.161 56.287 -0.025 0.000 0.942 483 K CB -0.272 32.219 32.500 -0.015 0.000 0.739 483 K HN 0.247 nan 8.250 nan 0.000 0.457 484 L N 0.636 121.789 121.223 -0.116 0.000 2.592 484 L HA 0.139 4.479 4.340 0.000 0.000 0.227 484 L C 0.699 177.526 176.870 -0.071 0.000 1.127 484 L CA 0.024 54.778 54.840 -0.142 0.000 0.884 484 L CB 0.038 41.927 42.059 -0.284 0.000 1.065 484 L HN 0.117 nan 8.230 nan 0.000 0.457 485 K N -0.054 120.305 120.400 -0.068 0.000 2.240 485 K HA 0.513 4.833 4.320 0.000 0.000 0.237 485 K C -1.164 175.452 176.600 0.027 0.000 1.027 485 K CA -0.659 55.577 56.287 -0.084 0.000 0.937 485 K CB 1.413 33.797 32.500 -0.194 0.000 1.171 485 K HN -0.124 nan 8.250 nan 0.000 0.479 486 Y N -3.093 117.134 120.300 -0.122 0.000 2.552 486 Y HA 0.400 4.950 4.550 0.000 0.000 0.337 486 Y C -0.904 174.923 175.900 -0.121 0.000 1.094 486 Y CA -1.188 56.850 58.100 -0.103 0.000 1.028 486 Y CB 1.022 39.429 38.460 -0.089 0.000 1.321 486 Y HN 0.322 nan 8.280 nan 0.000 0.456 487 S N 4.721 120.442 115.700 0.036 0.000 2.564 487 S HA 0.311 4.781 4.470 0.000 0.000 0.278 487 S C -2.357 172.258 174.600 0.026 0.000 1.333 487 S CA -0.837 57.330 58.200 -0.056 0.000 1.048 487 S CB 0.279 63.474 63.200 -0.009 0.000 0.900 487 S HN 0.567 nan 8.310 nan 0.000 0.505 488 P HA 0.184 nan 4.420 nan 0.000 0.278 488 P C -0.764 176.554 177.300 0.031 0.000 1.238 488 P CA -0.537 62.562 63.100 -0.002 0.000 0.794 488 P CB 0.730 32.396 31.700 -0.056 0.000 0.955 489 S N 1.356 117.089 115.700 0.056 0.000 2.562 489 S HA 0.241 4.711 4.470 0.000 0.000 0.275 489 S C 0.587 175.172 174.600 -0.025 0.000 1.281 489 S CA -0.568 57.645 58.200 0.022 0.000 1.045 489 S CB -0.045 63.175 63.200 0.033 0.000 0.962 489 S HN 0.552 nan 8.310 nan 0.000 0.503 490 N N -1.113 117.567 118.700 -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 53.976 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 0.645 120.538 119.914 -0.036 0.000 2.656 491 V HA 0.265 4.385 4.120 0.000 0.000 0.307 491 V C 0.446 176.527 176.094 -0.022 0.000 1.051 491 V CA -0.964 61.318 62.300 -0.030 0.000 0.893 491 V CB 2.478 34.285 31.823 -0.026 0.000 0.999 491 V HN -0.034 nan 8.190 nan 0.000 0.426 492 K N 4.323 124.713 120.400 -0.016 0.000 2.379 492 K HA 0.539 4.859 4.320 0.000 0.000 0.284 492 K C -0.677 175.915 176.600 -0.014 0.000 1.044 492 K CA 0.057 56.338 56.287 -0.009 0.000 0.974 492 K CB 1.175 33.673 32.500 -0.003 0.000 0.962 492 K HN 0.575 nan 8.250 nan 0.000 0.474 493 I N 1.184 121.750 120.570 -0.006 0.000 2.619 493 I HA 0.115 4.285 4.170 0.000 0.000 0.292 493 I C -0.169 175.978 176.117 0.050 0.000 1.100 493 I CA -0.504 60.793 61.300 -0.004 0.000 1.043 493 I CB 2.064 40.040 38.000 -0.040 0.000 1.239 493 I HN 0.622 nan 8.210 nan 0.000 0.420 494 S N 3.801 119.544 115.700 0.072 0.000 2.566 494 S HA -0.003 4.467 4.470 0.000 0.000 0.280 494 S C 0.533 175.203 174.600 0.117 0.000 1.343 494 S CA 0.458 58.709 58.200 0.085 0.000 1.036 494 S CB 0.662 63.910 63.200 0.079 0.000 0.866 494 S HN 0.750 nan 8.310 nan 0.000 0.526 495 D N 1.109 121.530 120.400 0.035 0.000 2.305 495 D HA 0.107 4.747 4.640 0.000 0.000 0.206 495 D C 0.119 176.346 176.300 -0.122 0.000 0.974 495 D CA 0.386 54.378 54.000 -0.013 0.000 0.871 495 D CB 0.014 40.806 40.800 -0.013 0.000 0.947 495 D HN 0.415 nan 8.370 nan 0.000 0.516 496 N N 1.036 119.663 118.700 -0.121 0.000 2.406 496 N HA 0.060 4.800 4.740 0.000 0.000 0.251 496 N C -1.880 173.399 175.510 -0.385 0.000 1.069 496 N CA -1.790 51.148 53.050 -0.187 0.000 0.947 496 N CB 1.425 39.860 38.487 -0.087 0.000 1.111 496 N HN -0.060 nan 8.380 nan 0.000 0.497 497 P HA -0.008 nan 4.420 nan 0.000 0.237 497 P C -0.072 177.043 177.300 -0.309 0.000 1.178 497 P CA 0.661 63.206 63.100 -0.925 0.000 0.766 497 P CB 0.493 31.744 31.700 -0.748 0.000 0.876 498 N N -0.650 117.949 118.700 -0.168 0.000 2.336 498 N HA 0.037 4.777 4.740 0.000 0.000 0.189 498 N C 0.463 175.966 175.510 -0.012 0.000 1.113 498 N CA 0.423 53.441 53.050 -0.053 0.000 0.858 498 N CB -0.030 38.432 38.487 -0.042 0.000 0.970 498 N HN 0.098 nan 8.380 nan 0.000 0.471 499 T N -0.016 114.533 114.554 -0.007 0.000 2.913 499 T HA 0.065 4.415 4.350 0.000 0.000 0.287 499 T C 1.055 175.809 174.700 0.090 0.000 1.008 499 T CA -0.384 61.746 62.100 0.051 0.000 1.067 499 T CB 1.355 70.252 68.868 0.048 0.000 0.996 499 T HN 0.164 nan 8.240 nan 0.000 0.513 500 Y N 2.017 122.301 120.300 -0.027 0.000 2.220 500 Y HA -0.108 4.442 4.550 0.000 0.000 0.291 500 Y C 2.235 178.088 175.900 -0.077 0.000 1.129 500 Y CA 1.968 60.030 58.100 -0.063 0.000 1.161 500 Y CB -0.155 38.253 38.460 -0.085 0.000 0.997 500 Y HN 0.826 nan 8.280 nan 0.000 0.522 501 D N -0.870 119.527 120.400 -0.005 0.000 2.133 501 D HA -0.317 4.323 4.640 0.000 0.000 0.195 501 D C 2.033 178.225 176.300 -0.179 0.000 0.997 501 D CA 1.850 55.782 54.000 -0.115 0.000 0.840 501 D CB -0.541 40.264 40.800 0.009 0.000 0.947 501 D HN 0.538 nan 8.370 nan 0.000 0.452 502 Y N 0.335 120.520 120.300 -0.192 0.000 2.163 502 Y HA -0.110 4.440 4.550 0.000 0.000 0.288 502 Y C 2.130 177.878 175.900 -0.253 0.000 1.136 502 Y CA 1.611 59.602 58.100 -0.183 0.000 1.147 502 Y CB -0.141 38.248 38.460 -0.118 0.000 0.987 502 Y HN -0.002 nan 8.280 nan 0.000 0.509 503 M N -0.213 119.294 119.600 -0.155 0.000 2.460 503 M HA -0.131 4.349 4.480 0.000 0.000 0.263 503 M C 1.524 177.525 176.300 -0.498 0.000 1.071 503 M CA 1.559 56.685 55.300 -0.291 0.000 1.096 503 M CB -0.325 32.152 32.600 -0.205 0.000 1.408 503 M HN 0.277 nan 8.290 nan 0.000 0.463 504 N N 0.742 119.053 118.700 -0.648 0.000 2.409 504 N HA -0.019 4.721 4.740 0.000 0.000 0.174 504 N C 1.278 176.394 175.510 -0.656 0.000 1.037 504 N CA 0.911 53.509 53.050 -0.753 0.000 0.898 504 N CB 0.305 38.146 38.487 -1.076 0.000 1.010 504 N HN 0.209 nan 8.380 nan 0.000 0.445 505 K N -0.594 119.482 120.400 -0.541 0.000 2.348 505 K HA 0.202 4.522 4.320 0.000 0.000 0.194 505 K C -0.066 176.311 176.600 -0.371 0.000 1.052 505 K CA -0.241 55.804 56.287 -0.403 0.000 1.004 505 K CB 0.502 32.820 32.500 -0.303 0.000 0.873 505 K HN -0.021 nan 8.250 nan 0.000 0.523 506 R N 1.962 122.161 120.500 -0.502 0.000 2.502 506 R HA 0.011 4.351 4.340 0.000 0.000 0.292 506 R C -0.217 175.820 176.300 -0.437 0.000 0.998 506 R CA 0.130 55.919 56.100 -0.519 0.000 1.056 506 R CB 0.600 30.527 30.300 -0.622 0.000 0.939 506 R HN -0.034 nan 8.270 nan 0.000 0.411 507 V N 3.911 123.503 119.914 -0.537 0.000 2.539 507 V HA 0.455 4.575 4.120 0.000 0.000 0.292 507 V C -0.520 175.230 176.094 -0.573 0.000 1.045 507 V CA -0.624 61.346 62.300 -0.551 0.000 0.945 507 V CB 1.896 33.321 31.823 -0.663 0.000 0.993 507 V HN 0.449 nan 8.190 nan 0.000 0.464 508 V N 6.822 126.572 119.914 -0.273 0.000 2.604 508 V HA 0.875 4.995 4.120 0.000 0.000 0.305 508 V C 0.387 176.510 176.094 0.049 0.000 1.043 508 V CA -0.075 62.147 62.300 -0.130 0.000 0.888 508 V CB 1.669 33.400 31.823 -0.152 0.000 0.995 508 V HN 1.492 nan 8.190 nan 0.000 0.429 509 A N 7.251 130.117 122.820 0.077 0.000 2.454 509 A HA 0.551 4.871 4.320 0.000 0.000 0.260 509 A C -1.659 175.986 177.584 0.103 0.000 1.106 509 A CA -0.964 51.120 52.037 0.078 0.000 0.780 509 A CB 0.261 19.282 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 1.590 178.912 177.300 0.038 0.000 1.148 510 P CA 1.702 64.854 63.100 0.086 0.000 0.822 510 P CB 0.203 31.830 31.700 -0.122 0.000 0.784 511 G N -0.757 108.063 108.800 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 0.264 nan 8.290 nan 0.000 0.543 512 L N -0.365 120.888 121.223 0.050 0.000 2.240 512 L HA 0.112 4.452 4.340 0.000 0.000 0.211 512 L C 0.590 177.502 176.870 0.070 0.000 1.106 512 L CA 0.400 55.283 54.840 0.070 0.000 0.793 512 L CB 0.344 42.426 42.059 0.038 0.000 0.927 512 L HN 0.026 nan 8.230 nan 0.000 0.446 513 V N -0.887 119.031 119.914 0.007 0.000 2.502 513 V HA 0.225 4.345 4.120 0.000 0.000 0.261 513 V C -0.508 175.492 176.094 -0.158 0.000 0.996 513 V CA -0.606 61.667 62.300 -0.045 0.000 1.095 513 V CB 0.802 32.595 31.823 -0.049 0.000 1.325 513 V HN 0.068 nan 8.190 nan 0.000 0.574 514 D N 0.582 120.813 120.400 -0.281 0.000 2.387 514 D HA 0.155 4.795 4.640 0.000 0.000 0.251 514 D C 1.436 177.425 176.300 -0.519 0.000 1.141 514 D CA -0.102 53.610 54.000 -0.479 0.000 0.987 514 D CB 2.272 42.588 40.800 -0.807 0.000 1.116 514 D HN 0.560 nan 8.370 nan 0.000 0.491 515 C N 0.538 119.597 119.300 -0.400 0.000 2.421 515 C HA -0.100 4.360 4.460 0.000 0.000 0.296 515 C C 1.654 176.708 174.990 0.107 0.000 1.470 515 C CA -0.102 58.841 59.018 -0.124 0.000 1.779 515 C CB -2.317 25.512 27.740 0.148 0.000 1.715 515 C HN 0.565 nan 8.230 nan 0.000 0.564 516 Y N -1.360 119.027 120.300 0.146 0.000 2.607 516 Y HA 0.618 5.168 4.550 0.000 0.000 0.266 516 Y C 0.554 176.511 175.900 0.095 0.000 1.178 516 Y CA -2.391 55.780 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 0.151 nan 8.280 nan 0.000 0.528 517 I N 3.016 123.635 120.570 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 0.160 61.535 61.300 0.125 0.000 1.402 517 I CB -0.150 37.880 38.000 0.051 0.000 1.399 517 I HN 0.427 nan 8.210 nan 0.000 0.535 518 N N 5.589 124.359 118.700 0.116 0.000 2.698 518 N HA -0.236 4.504 4.740 0.000 0.000 0.258 518 N C -0.323 175.237 175.510 0.083 0.000 0.978 518 N CA 0.561 53.646 53.050 0.058 0.000 0.777 518 N CB -0.865 37.658 38.487 0.061 0.000 0.907 518 N HN 0.592 nan 8.380 nan 0.000 0.543 519 L N 0.077 121.357 121.223 0.094 0.000 2.540 519 L HA 0.031 4.371 4.340 0.000 0.000 0.276 519 L C 1.661 178.565 176.870 0.056 0.000 1.212 519 L CA 1.219 56.119 54.840 0.099 0.000 0.893 519 L CB 0.173 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 2.498 111.336 108.800 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 0.096 175.025 174.900 0.047 0.000 0.981 520 G CA 0.112 45.240 45.100 0.046 0.000 0.670 520 G HN 1.015 nan 8.290 nan 0.000 0.528 521 A N -0.723 122.138 122.820 0.068 0.000 2.354 521 A HA 0.910 5.230 4.320 0.000 0.000 0.321 521 A C 0.190 177.860 177.584 0.143 0.000 1.125 521 A CA -0.180 51.908 52.037 0.084 0.000 0.799 521 A CB 1.134 20.159 19.000 0.042 0.000 1.293 521 A HN 0.763 nan 8.150 nan 0.000 0.452 522 R N 1.468 122.069 120.500 0.168 0.000 2.287 522 R HA 0.370 4.710 4.340 0.000 0.000 0.316 522 R C -1.627 174.844 176.300 0.285 0.000 1.050 522 R CA -0.197 56.006 56.100 0.171 0.000 0.983 522 R CB 0.533 30.898 30.300 0.108 0.000 1.140 522 R HN 0.767 nan 8.270 nan 0.000 0.528 523 W N 4.194 125.504 121.300 0.016 0.000 3.259 523 W HA 0.222 4.882 4.660 0.000 0.000 0.331 523 W C -1.275 175.240 176.519 -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 4.839 120.269 115.700 -0.449 0.000 2.537 524 S HA 0.509 4.979 4.470 0.000 0.000 0.275 524 S C -0.121 174.233 174.600 -0.411 0.000 1.272 524 S CA -0.669 57.316 58.200 -0.358 0.000 1.050 524 S CB 1.433 64.394 63.200 -0.399 0.000 0.961 524 S HN 0.429 nan 8.310 nan 0.000 0.496 525 L N 2.992 124.155 121.223 -0.100 0.000 2.499 525 L HA 0.060 4.400 4.340 0.000 0.000 0.273 525 L C 1.091 177.922 176.870 -0.065 0.000 1.195 525 L CA -0.370 54.489 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 1.887 122.259 120.400 -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 -0.050 0.000 0.992 526 D CA 1.700 55.641 54.000 -0.098 0.000 0.854 526 D CB 0.031 40.776 40.800 -0.092 0.000 0.936 526 D HN 0.510 nan 8.370 nan 0.000 0.462 527 Y N -0.174 120.155 120.300 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 0.674 58.799 58.100 0.042 0.000 1.202 527 Y CB -0.195 38.292 38.460 0.045 0.000 0.990 527 Y HN -0.021 nan 8.280 nan 0.000 0.537 528 M N -0.822 118.861 119.600 0.140 0.000 2.509 528 M HA -0.022 4.458 4.480 0.000 0.000 0.250 528 M C 1.015 177.308 176.300 -0.011 0.000 1.132 528 M CA 0.542 55.867 55.300 0.043 0.000 1.080 528 M CB -0.624 31.964 32.600 -0.020 0.000 1.408 528 M HN 0.137 nan 8.290 nan 0.000 0.484 529 D N 1.684 122.063 120.400 -0.036 0.000 2.133 529 D HA -0.149 4.491 4.640 0.000 0.000 0.195 529 D C 1.077 177.478 176.300 0.168 0.000 0.997 529 D CA 1.235 55.185 54.000 -0.084 0.000 0.840 529 D CB -0.191 40.509 40.800 -0.166 0.000 0.947 529 D HN 0.305 nan 8.370 nan 0.000 0.452 530 N N -0.152 118.692 118.700 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 0.946 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 1.543 121.578 119.914 0.201 0.000 2.439 531 V HA 0.137 4.257 4.120 0.000 0.000 0.282 531 V C 0.577 176.554 176.094 -0.195 0.000 1.039 531 V CA -1.172 61.178 62.300 0.083 0.000 0.913 531 V CB 1.432 33.280 31.823 0.043 0.000 0.983 531 V HN 0.193 nan 8.190 nan 0.000 0.460 532 N N 7.819 126.296 118.700 -0.372 0.000 2.386 532 N HA 0.006 4.746 4.740 0.000 0.000 0.273 532 N C -1.156 174.077 175.510 -0.462 0.000 1.331 532 N CA -1.047 51.471 53.050 -0.887 0.000 0.891 532 N CB 1.303 39.638 38.487 -0.255 0.000 1.139 532 N HN 0.405 nan 8.380 nan 0.000 0.487 533 P HA -0.063 nan 4.420 nan 0.000 0.229 533 P C 0.848 177.849 177.300 -0.497 0.000 1.160 533 P CA 0.913 63.630 63.100 -0.639 0.000 0.777 533 P CB 0.016 31.075 31.700 -1.068 0.000 0.814 534 F N 0.210 120.137 119.950 -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 0.291 58.340 58.000 0.082 0.000 1.446 534 F CB -0.998 38.067 39.000 0.109 0.000 1.092 534 F HN -0.154 nan 8.300 nan 0.000 0.554 535 N N 1.245 120.071 118.700 0.210 0.000 2.895 535 N HA -0.010 4.730 4.740 0.000 0.000 0.277 535 N C -0.656 174.981 175.510 0.212 0.000 1.185 535 N CA 0.377 53.555 53.050 0.213 0.000 1.106 535 N CB -0.578 38.040 38.487 0.219 0.000 1.422 535 N HN 0.279 nan 8.380 nan 0.000 0.521 536 H N 0.586 119.684 119.070 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 55.581 56.048 -0.125 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 2.581 121.691 119.070 0.068 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 0.335 56.573 56.048 0.317 0.000 1.195 537 H CB 0.266 30.197 29.762 0.282 0.000 1.368 537 H HN 0.358 nan 8.280 nan 0.000 0.592 538 R N 1.088 121.614 120.500 0.044 0.000 2.466 538 R HA 0.075 4.415 4.340 0.000 0.000 0.279 538 R C -0.003 176.295 176.300 -0.004 0.000 0.976 538 R CA -0.173 55.904 56.100 -0.039 0.000 1.081 538 R CB -0.065 30.126 30.300 -0.181 0.000 1.215 538 R HN 0.386 nan 8.270 nan 0.000 0.546 539 N N 0.712 119.445 118.700 0.054 0.000 2.415 539 N HA 0.060 4.800 4.740 0.000 0.000 0.250 539 N C 1.029 176.559 175.510 0.033 0.000 1.127 539 N CA -0.243 52.850 53.050 0.071 0.000 0.945 539 N CB 1.030 39.601 38.487 0.140 0.000 1.196 539 N HN 0.083 nan 8.380 nan 0.000 0.499 540 A N 3.667 126.516 122.820 0.049 0.000 1.908 540 A HA -0.128 4.192 4.320 0.000 0.000 0.218 540 A C 2.029 179.661 177.584 0.080 0.000 1.181 540 A CA 1.863 53.950 52.037 0.082 0.000 0.627 540 A CB -1.092 17.991 19.000 0.137 0.000 0.818 540 A HN 0.782 nan 8.150 nan 0.000 0.445 541 G N -0.116 108.714 108.800 0.050 0.000 2.459 541 G HA2 -0.170 3.790 3.960 0.000 0.000 0.217 541 G HA3 -0.170 3.790 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 1.280 46.315 45.100 -0.109 0.000 0.776 541 G HN 0.586 nan 8.290 nan 0.000 0.552 542 L N 0.713 121.927 121.223 -0.015 0.000 2.046 542 L HA 0.077 4.417 4.340 0.000 0.000 0.208 542 L C 2.674 179.497 176.870 -0.079 0.000 1.077 542 L CA 2.278 57.113 54.840 -0.008 0.000 0.747 542 L CB -0.760 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 -1.850 118.528 120.500 -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 2.053 57.868 56.100 -0.475 0.000 0.959 543 R CB -0.661 29.329 30.300 -0.516 0.000 0.856 543 R HN 0.575 nan 8.270 nan 0.000 0.437 544 Y N 0.666 120.869 120.300 -0.163 0.000 2.163 544 Y HA -0.166 4.384 4.550 0.000 0.000 0.288 544 Y C 2.135 177.979 175.900 -0.094 0.000 1.136 544 Y CA 1.757 59.793 58.100 -0.105 0.000 1.147 544 Y CB -0.017 38.334 38.460 -0.183 0.000 0.987 544 Y HN -0.039 nan 8.280 nan 0.000 0.509 545 R N -0.527 119.939 120.500 -0.057 0.000 2.148 545 R HA -0.132 4.208 4.340 0.000 0.000 0.227 545 R C 2.745 179.006 176.300 -0.065 0.000 1.103 545 R CA 1.203 57.248 56.100 -0.092 0.000 0.983 545 R CB -0.435 29.846 30.300 -0.031 0.000 0.874 545 R HN 0.297 nan 8.270 nan 0.000 0.451 546 S N 0.161 115.853 115.700 -0.014 0.000 2.357 546 S HA -0.083 4.387 4.470 0.000 0.000 0.221 546 S C 1.804 176.458 174.600 0.090 0.000 1.031 546 S CA 1.033 59.289 58.200 0.094 0.000 0.982 546 S CB 0.055 63.434 63.200 0.299 0.000 0.853 546 S HN 0.215 nan 8.310 nan 0.000 0.458 547 M N 0.496 120.110 119.600 0.023 0.000 2.492 547 M HA 0.074 4.554 4.480 0.000 0.000 0.262 547 M C 1.729 177.977 176.300 -0.087 0.000 1.090 547 M CA 0.395 55.704 55.300 0.015 0.000 1.110 547 M CB -0.196 32.408 32.600 0.008 0.000 1.407 547 M HN 0.283 nan 8.290 nan 0.000 0.470 548 L N 0.400 121.498 121.223 -0.208 0.000 2.141 548 L HA -0.095 4.245 4.340 0.000 0.000 0.209 548 L C 1.927 178.768 176.870 -0.048 0.000 1.094 548 L CA 1.738 56.446 54.840 -0.220 0.000 0.763 548 L CB -0.381 41.492 42.059 -0.310 0.000 0.908 548 L HN 0.285 nan 8.230 nan 0.000 0.437 549 L N -1.891 119.333 121.223 0.001 0.000 2.209 549 L HA 0.304 4.644 4.340 0.000 0.000 0.207 549 L C 1.094 177.995 176.870 0.052 0.000 1.094 549 L CA 0.455 55.327 54.840 0.054 0.000 0.790 549 L CB -0.325 41.748 42.059 0.023 0.000 0.932 549 L HN 0.409 nan 8.230 nan 0.000 0.447 550 G N -0.055 108.779 108.800 0.056 0.000 2.346 550 G HA2 -0.157 3.803 3.960 0.000 0.000 0.294 550 G HA3 -0.157 3.803 3.960 0.000 0.000 0.294 550 G C -0.628 174.372 174.900 0.167 0.000 1.294 550 G CA -0.045 45.108 45.100 0.088 0.000 0.962 550 G HN 0.073 nan 8.290 nan 0.000 0.508 551 N N -0.044 118.768 118.700 0.187 0.000 2.187 551 N HA 0.339 5.079 4.740 0.000 0.000 0.212 551 N C 0.717 176.431 175.510 0.339 0.000 1.152 551 N CA 0.763 53.975 53.050 0.270 0.000 0.872 551 N CB 1.150 39.732 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 0.420 175.372 174.900 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 -0.767 119.710 120.500 -0.038 0.000 2.075 553 R HA -0.008 4.332 4.340 0.000 0.000 0.232 553 R C -0.253 175.779 176.300 -0.446 0.000 1.126 553 R CA 0.829 56.730 56.100 -0.332 0.000 0.963 553 R CB -0.240 29.740 30.300 -0.533 0.000 0.858 553 R HN 0.457 nan 8.270 nan 0.000 0.435 554 Y N 0.635 120.928 120.300 -0.012 0.000 2.383 554 Y HA 0.366 4.916 4.550 0.000 0.000 0.344 554 Y C -0.591 175.309 175.900 -0.000 0.000 0.986 554 Y CA -0.776 57.317 58.100 -0.012 0.000 1.175 554 Y CB 1.733 40.196 38.460 0.005 0.000 1.152 554 Y HN -0.243 nan 8.280 nan 0.000 0.511 555 V N 6.126 126.126 119.914 0.143 0.000 2.524 555 V HA 0.384 4.504 4.120 0.000 0.000 0.297 555 V C -2.495 173.709 176.094 0.184 0.000 1.035 555 V CA -2.015 60.365 62.300 0.134 0.000 0.867 555 V CB 2.263 34.136 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 -0.929 176.437 177.300 0.109 0.000 1.326 556 P CA -0.172 62.954 63.100 0.043 0.000 0.787 556 P CB 0.667 32.368 31.700 0.002 0.000 0.903 557 F N 1.194 121.220 119.950 0.127 0.000 2.440 557 F HA 0.649 5.176 4.527 0.000 0.000 0.328 557 F C -0.376 175.532 175.800 0.181 0.000 1.070 557 F CA -1.163 56.943 58.000 0.177 0.000 1.011 557 F CB 1.426 40.602 39.000 0.292 0.000 1.226 557 F HN 0.403 nan 8.300 nan 0.000 0.491 558 H N 3.885 123.097 119.070 0.237 0.000 3.181 558 H HA 0.581 5.137 4.556 0.000 0.000 0.331 558 H C -1.475 173.918 175.328 0.108 0.000 0.988 558 H CA -0.914 55.192 56.048 0.098 0.000 1.449 558 H CB 1.417 31.195 29.762 0.026 0.000 1.749 558 H HN 0.894 nan 8.280 nan 0.000 0.501 559 I N 0.949 121.639 120.570 0.200 0.000 3.145 559 I HA 0.534 4.704 4.170 0.000 0.000 0.313 559 I C -1.556 174.477 176.117 -0.141 0.000 1.122 559 I CA -1.274 59.971 61.300 -0.090 0.000 0.987 559 I CB 2.678 40.461 38.000 -0.362 0.000 1.236 559 I HN 0.389 nan 8.210 nan 0.000 0.453 560 Q N 2.379 122.056 119.800 -0.204 0.000 2.333 560 Q HA 0.628 4.968 4.340 0.000 0.000 0.268 560 Q C -1.218 174.837 176.000 0.093 0.000 1.007 560 Q CA -0.546 55.191 55.803 -0.110 0.000 0.810 560 Q CB 2.536 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 4.856 124.876 119.914 0.176 0.000 2.417 561 V HA 0.576 4.696 4.120 0.000 0.000 0.291 561 V C -2.137 174.076 176.094 0.197 0.000 1.024 561 V CA -1.830 60.576 62.300 0.176 0.000 0.861 561 V CB 1.556 33.430 31.823 0.084 0.000 0.985 561 V HN 0.710 nan 8.190 nan 0.000 0.436 562 P HA 0.269 nan 4.420 nan 0.000 0.279 562 P C -1.251 175.890 177.300 -0.265 0.000 1.252 562 P CA -0.618 62.249 63.100 -0.388 0.000 0.811 562 P CB 1.326 32.450 31.700 -0.961 0.000 1.035 563 Q N 1.367 120.996 119.800 -0.285 0.000 2.274 563 Q HA 0.187 4.527 4.340 0.000 0.000 0.256 563 Q C 0.317 176.175 176.000 -0.236 0.000 0.927 563 Q CA 0.451 56.116 55.803 -0.230 0.000 0.939 563 Q CB 0.867 29.472 28.738 -0.222 0.000 1.201 563 Q HN 0.295 nan 8.270 nan 0.000 0.426 564 K N 3.413 123.708 120.400 -0.176 0.000 2.380 564 K HA 0.151 4.471 4.320 0.000 0.000 0.198 564 K C -0.328 176.195 176.600 -0.128 0.000 1.070 564 K CA -0.267 55.817 56.287 -0.337 0.000 1.040 564 K CB 0.419 32.506 32.500 -0.689 0.000 0.903 564 K HN 0.477 nan 8.250 nan 0.000 0.549 565 F N 2.842 122.717 119.950 -0.124 0.000 2.590 565 F HA -0.077 4.450 4.527 0.000 0.000 0.389 565 F C 1.111 176.897 175.800 -0.022 0.000 1.049 565 F CA -1.132 56.880 58.000 0.019 0.000 1.199 565 F CB 0.199 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 4.301 123.928 119.950 -0.539 0.000 2.161 566 F HA -0.117 4.410 4.527 0.000 0.000 0.300 566 F C 1.767 177.322 175.800 -0.409 0.000 1.089 566 F CA 1.336 59.105 58.000 -0.385 0.000 1.282 566 F CB -1.211 37.621 39.000 -0.281 0.000 1.010 566 F HN 0.391 nan 8.300 nan 0.000 0.485 567 A N 1.194 123.068 122.820 -1.577 0.000 2.067 567 A HA 0.036 4.356 4.320 0.000 0.000 0.219 567 A C 2.104 179.381 177.584 -0.510 0.000 1.158 567 A CA 1.636 53.107 52.037 -0.943 0.000 0.661 567 A CB -1.116 17.456 19.000 -0.712 0.000 0.801 567 A HN 0.796 nan 8.150 nan 0.000 0.452 568 I N -4.735 115.622 120.570 -0.354 0.000 4.526 568 I HA 0.216 4.386 4.170 0.000 0.000 0.330 568 I C 1.621 177.538 176.117 -0.333 0.000 1.323 568 I CA 0.547 61.670 61.300 -0.296 0.000 1.218 568 I CB 0.001 37.956 38.000 -0.075 0.000 1.233 568 I HN 0.141 nan 8.210 nan 0.000 0.430 569 K N 1.971 122.191 120.400 -0.300 0.000 2.152 569 K HA -0.079 4.241 4.320 0.000 0.000 0.206 569 K C 0.562 177.020 176.600 -0.237 0.000 1.048 569 K CA 1.917 58.070 56.287 -0.224 0.000 0.933 569 K CB -0.176 32.245 32.500 -0.132 0.000 0.721 569 K HN 0.409 nan 8.250 nan 0.000 0.447 570 N N 0.815 119.293 118.700 -0.371 0.000 2.238 570 N HA 0.070 4.810 4.740 0.000 0.000 0.235 570 N C -0.629 174.749 175.510 -0.221 0.000 1.209 570 N CA -0.314 52.604 53.050 -0.219 0.000 0.879 570 N CB 0.573 39.031 38.487 -0.049 0.000 1.136 570 N HN 0.115 nan 8.380 nan 0.000 0.517 571 L N 1.619 122.608 121.223 -0.390 0.000 2.453 571 L HA 0.202 4.542 4.340 0.000 0.000 0.272 571 L C -0.202 176.621 176.870 -0.078 0.000 1.182 571 L CA -0.225 54.501 54.840 -0.190 0.000 0.858 571 L CB 0.513 42.411 42.059 -0.268 0.000 1.120 571 L HN -0.023 nan 8.230 nan 0.000 0.474 572 L N 5.871 127.108 121.223 0.023 0.000 2.259 572 L HA 0.422 4.762 4.340 0.000 0.000 0.288 572 L C -0.838 176.004 176.870 -0.048 0.000 1.051 572 L CA 0.088 54.919 54.840 -0.015 0.000 0.824 572 L CB 0.607 42.681 42.059 0.025 0.000 1.206 572 L HN 0.592 nan 8.230 nan 0.000 0.429 573 L N 5.717 126.872 121.223 -0.113 0.000 2.290 573 L HA 0.391 4.731 4.340 0.000 0.000 0.284 573 L C -0.057 176.798 176.870 -0.025 0.000 1.078 573 L CA 0.225 54.968 54.840 -0.162 0.000 0.815 573 L CB 1.003 42.854 42.059 -0.347 0.000 1.162 573 L HN 0.557 nan 8.230 nan 0.000 0.435 574 L N 4.530 125.777 121.223 0.040 0.000 2.469 574 L HA 0.454 4.794 4.340 0.000 0.000 0.253 574 L C -2.007 174.999 176.870 0.227 0.000 1.143 574 L CA -2.107 52.805 54.840 0.119 0.000 0.804 574 L CB 0.104 42.218 42.059 0.092 0.000 1.214 574 L HN 0.367 nan 8.230 nan 0.000 0.476 575 P HA 0.154 nan 4.420 nan 0.000 0.265 575 P C -0.173 177.214 177.300 0.145 0.000 1.187 575 P CA 0.481 63.678 63.100 0.163 0.000 0.766 575 P CB 0.514 32.265 31.700 0.086 0.000 0.820 576 G N 0.632 109.473 108.800 0.069 0.000 2.368 576 G HA2 0.241 4.201 3.960 0.000 0.000 0.302 576 G HA3 0.241 4.201 3.960 0.000 0.000 0.302 576 G C -1.451 173.237 174.900 -0.354 0.000 1.329 576 G CA -0.608 44.372 45.100 -0.199 0.000 0.935 576 G HN 0.341 nan 8.290 nan 0.000 0.590 577 S N -0.225 115.151 115.700 -0.540 0.000 2.454 577 S HA 0.804 5.274 4.470 0.000 0.000 0.306 577 S C -1.299 172.944 174.600 -0.596 0.000 1.100 577 S CA -0.346 57.635 58.200 -0.365 0.000 1.087 577 S CB 0.830 63.939 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 0.006 0.000 2.499 578 Y HA 0.499 5.049 4.550 0.000 0.000 0.347 578 Y C 0.631 176.564 175.900 0.054 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 2.655 117.349 114.554 0.235 0.000 2.743 579 T HA 0.295 4.645 4.350 0.000 0.000 0.293 579 T C -1.509 173.396 174.700 0.342 0.000 0.945 579 T CA -0.199 62.035 62.100 0.223 0.000 1.030 579 T CB -0.296 68.659 68.868 0.146 0.000 0.912 579 T HN 0.635 nan 8.240 nan 0.000 0.483 580 Y N 4.439 124.873 120.300 0.224 0.000 2.328 580 Y HA 0.499 5.049 4.550 0.000 0.000 0.333 580 Y C -0.199 175.949 175.900 0.414 0.000 0.958 580 Y CA -0.899 57.381 58.100 0.299 0.000 1.167 580 Y CB 0.806 39.414 38.460 0.247 0.000 1.151 580 Y HN 0.689 nan 8.280 nan 0.000 0.470 581 E N 6.694 127.115 120.200 0.369 0.000 2.293 581 E HA 0.251 4.601 4.350 0.000 0.000 0.270 581 E C -1.989 174.686 176.600 0.125 0.000 0.879 581 E CA -0.607 55.901 56.400 0.179 0.000 0.756 581 E CB 1.853 31.585 29.700 0.054 0.000 1.208 581 E HN 0.724 nan 8.360 nan 0.000 0.428 582 W N 2.665 123.860 121.300 -0.175 0.000 3.118 582 W HA 0.398 5.058 4.660 0.000 0.000 0.328 582 W C -1.197 175.119 176.519 -0.337 0.000 1.239 582 W CA -0.622 56.519 57.345 -0.340 0.000 1.176 582 W CB 2.210 31.321 29.460 -0.582 0.000 1.433 582 W HN 0.526 nan 8.180 nan 0.000 0.562 583 N N 2.036 120.492 118.700 -0.406 0.000 2.361 583 N HA 0.503 5.243 4.740 0.000 0.000 0.302 583 N C -1.536 173.915 175.510 -0.099 0.000 1.074 583 N CA -0.245 52.728 53.050 -0.129 0.000 0.850 583 N CB 1.783 40.132 38.487 -0.231 0.000 1.228 583 N HN 0.041 nan 8.380 nan 0.000 0.491 584 F N 0.505 120.637 119.950 0.304 0.000 2.532 584 F HA 0.470 4.997 4.527 0.000 0.000 0.321 584 F C 0.985 177.004 175.800 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 0.472 0.000 1.070 585 R CA -0.503 55.769 56.100 0.287 0.000 1.112 585 R CB 1.152 31.427 30.300 -0.042 0.000 1.049 585 R HN 0.701 nan 8.270 nan 0.000 0.508 586 K N 0.431 121.076 120.400 0.409 0.000 2.402 586 K HA 0.020 4.340 4.320 0.000 0.000 0.203 586 K C -0.337 176.389 176.600 0.211 0.000 1.077 586 K CA -0.105 56.346 56.287 0.274 0.000 1.051 586 K CB 0.513 33.150 32.500 0.229 0.000 0.907 586 K HN 0.475 nan 8.250 nan 0.000 0.554 587 D N 2.097 122.664 120.400 0.278 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 1.222 42.203 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 1.584 177.707 176.094 0.048 0.000 1.072 588 V CA 1.355 63.683 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 -0.301 118.453 118.700 0.090 0.000 2.512 589 N HA 0.064 4.804 4.740 0.000 0.000 0.183 589 N C 1.526 177.169 175.510 0.222 0.000 1.073 589 N CA 1.294 54.405 53.050 0.101 0.000 0.911 589 N CB -0.033 38.513 38.487 0.099 0.000 0.964 589 N HN 0.458 nan 8.380 nan 0.000 0.447 590 M N -0.625 119.087 119.600 0.187 0.000 2.718 590 M HA 0.096 4.576 4.480 0.000 0.000 0.259 590 M C 2.056 178.444 176.300 0.146 0.000 1.240 590 M CA 0.647 56.041 55.300 0.158 0.000 1.210 590 M CB -0.818 31.828 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 0.158 4.278 4.120 0.000 0.000 0.255 591 V C 1.048 177.255 176.094 0.188 0.000 1.088 591 V CA 0.458 62.897 62.300 0.232 0.000 1.109 591 V CB -0.501 31.507 31.823 0.309 0.000 0.724 591 V HN 0.188 nan 8.190 nan 0.000 0.471 592 L N 0.848 122.097 121.223 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 -0.395 54.396 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 1.058 120.824 119.800 -0.057 0.000 2.359 593 Q HA 0.525 4.865 4.340 0.000 0.000 0.274 593 Q C -1.476 174.509 176.000 -0.026 0.000 1.074 593 Q CA -0.539 55.243 55.803 -0.035 0.000 0.810 593 Q CB 2.588 31.333 28.738 0.013 0.000 1.342 593 Q HN 0.771 nan 8.270 nan 0.000 0.427 594 S N 0.593 116.272 115.700 -0.035 0.000 2.600 594 S HA 0.404 4.874 4.470 0.000 0.000 0.300 594 S C 0.562 175.202 174.600 0.067 0.000 1.087 594 S CA -0.079 58.134 58.200 0.021 0.000 0.965 594 S CB 1.700 64.887 63.200 -0.022 0.000 1.089 594 S HN 0.719 nan 8.310 nan 0.000 0.496 595 S N 0.957 116.747 115.700 0.150 0.000 2.436 595 S HA 0.012 4.482 4.470 0.000 0.000 0.228 595 S C 1.358 176.068 174.600 0.183 0.000 1.014 595 S CA 0.243 58.566 58.200 0.204 0.000 0.950 595 S CB -0.540 62.853 63.200 0.322 0.000 0.784 595 S HN 0.494 nan 8.310 nan 0.000 0.504 596 L N 1.514 122.810 121.223 0.122 0.000 2.375 596 L HA 0.391 4.731 4.340 0.000 0.000 0.215 596 L C 1.933 178.838 176.870 0.059 0.000 1.108 596 L CA 1.159 56.055 54.840 0.093 0.000 0.830 596 L CB -1.280 40.819 42.059 0.068 0.000 0.959 596 L HN 0.590 nan 8.230 nan 0.000 0.457 597 G N 0.142 108.931 108.800 -0.018 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 -0.130 0.000 0.991 597 G CA 0.462 45.457 45.100 -0.176 0.000 0.689 597 G HN 0.553 nan 8.290 nan 0.000 0.522 598 N N 0.501 119.176 118.700 -0.042 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 -0.063 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 0.580 120.956 120.400 -0.041 0.000 2.348 599 D HA 0.070 4.710 4.640 0.000 0.000 0.259 599 D C 1.036 177.310 176.300 -0.042 0.000 1.296 599 D CA -0.206 53.759 54.000 -0.058 0.000 0.931 599 D CB 0.024 40.803 40.800 -0.036 0.000 1.067 599 D HN 0.481 nan 8.370 nan 0.000 0.503 600 L N 3.735 124.923 121.223 -0.059 0.000 2.362 600 L HA -0.065 4.275 4.340 0.000 0.000 0.219 600 L C 2.404 179.262 176.870 -0.021 0.000 1.134 600 L CA 0.447 55.259 54.840 -0.048 0.000 0.807 600 L CB -0.113 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 -0.615 119.885 120.500 -0.001 0.000 2.090 601 R HA -0.057 4.283 4.340 0.000 0.000 0.228 601 R C 2.177 178.490 176.300 0.023 0.000 1.110 601 R CA 0.973 57.092 56.100 0.031 0.000 0.973 601 R CB -0.449 29.889 30.300 0.064 0.000 0.869 601 R HN 0.203 nan 8.270 nan 0.000 0.440 602 V N 1.560 121.481 119.914 0.012 0.000 2.535 602 V HA -0.108 4.012 4.120 0.000 0.000 0.246 602 V C 0.808 176.906 176.094 0.007 0.000 1.045 602 V CA 1.461 63.769 62.300 0.012 0.000 1.058 602 V CB -0.197 31.631 31.823 0.009 0.000 0.689 602 V HN 0.166 nan 8.190 nan 0.000 0.461 603 D N 0.509 120.907 120.400 -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 -0.084 40.707 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 45.393 45.100 -0.018 0.000 0.683 604 G HN 0.617 nan 8.290 nan 0.000 0.527 605 A N -0.544 122.247 122.820 -0.049 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 1.106 53.098 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 0.932 116.599 115.700 -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 -0.519 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 1.005 nan 8.310 nan 0.000 0.474 607 I N 2.840 123.369 120.570 -0.068 0.000 2.722 607 I HA 0.603 4.773 4.170 0.000 0.000 0.295 607 I C -1.565 174.434 176.117 -0.196 0.000 1.161 607 I CA -0.565 60.676 61.300 -0.099 0.000 1.032 607 I CB 1.891 39.794 38.000 -0.161 0.000 1.244 607 I HN 0.733 nan 8.210 nan 0.000 0.421 608 K N 6.673 126.970 120.400 -0.172 0.000 2.468 608 K HA 0.492 4.812 4.320 0.000 0.000 0.252 608 K C -1.991 174.466 176.600 -0.238 0.000 0.932 608 K CA -0.516 55.635 56.287 -0.227 0.000 0.794 608 K CB 1.575 34.022 32.500 -0.088 0.000 1.241 608 K HN 0.490 nan 8.250 nan 0.000 0.428 609 F N 3.785 123.675 119.950 -0.100 0.000 2.371 609 F HA 0.165 4.692 4.527 0.000 0.000 0.363 609 F C 0.943 176.569 175.800 -0.291 0.000 1.122 609 F CA -0.740 57.083 58.000 -0.296 0.000 1.129 609 F CB 1.258 39.819 39.000 -0.733 0.000 1.173 609 F HN 0.635 nan 8.300 nan 0.000 0.489 610 D N 0.993 121.357 120.400 -0.059 0.000 2.149 610 D HA -0.042 4.598 4.640 0.000 0.000 0.206 610 D C 0.738 177.017 176.300 -0.035 0.000 0.967 610 D CA 1.148 55.114 54.000 -0.057 0.000 0.848 610 D CB 0.296 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 -0.657 114.998 115.700 -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 -0.029 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 1.824 122.410 120.570 0.027 0.000 2.534 612 I HA 0.700 4.870 4.170 0.000 0.000 0.288 612 I C -1.312 174.984 176.117 0.297 0.000 1.077 612 I CA -0.365 60.974 61.300 0.064 0.000 1.051 612 I CB 1.128 39.071 38.000 -0.095 0.000 1.234 612 I HN 0.967 nan 8.210 nan 0.000 0.425 613 C N 5.950 125.440 119.300 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 1.766 29.621 27.740 0.192 0.000 2.222 613 C HN 0.668 nan 8.230 nan 0.000 0.485 614 L N 1.638 122.796 121.223 -0.110 0.000 2.333 614 L HA 0.622 4.962 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 0.457 42.082 42.059 -0.724 0.000 1.247 614 L HN 0.664 nan 8.230 nan 0.000 0.416 615 Y N 3.577 123.690 120.300 -0.312 0.000 2.446 615 Y HA 0.829 5.379 4.550 0.000 0.000 0.338 615 Y C 0.132 175.849 175.900 -0.306 0.000 1.055 615 Y CA -0.328 57.562 58.100 -0.349 0.000 1.101 615 Y CB 2.297 40.336 38.460 -0.702 0.000 1.221 615 Y HN 0.777 nan 8.280 nan 0.000 0.460 616 A N 1.592 124.460 122.820 0.079 0.000 2.459 616 A HA 0.732 5.052 4.320 0.000 0.000 0.296 616 A C -1.133 176.511 177.584 0.099 0.000 1.039 616 A CA -0.694 51.358 52.037 0.025 0.000 0.698 616 A CB 1.112 20.178 19.000 0.111 0.000 1.261 616 A HN 0.587 nan 8.150 nan 0.000 0.405 617 T N 2.073 116.612 114.554 -0.024 0.000 2.823 617 T HA 0.676 5.026 4.350 0.000 0.000 0.279 617 T C -1.055 173.649 174.700 0.008 0.000 0.998 617 T CA 0.082 62.256 62.100 0.124 0.000 0.994 617 T CB 0.325 69.275 68.868 0.137 0.000 0.960 617 T HN 0.331 nan 8.240 nan 0.000 0.448 618 F N 1.935 121.955 119.950 0.116 0.000 2.482 618 F HA 0.507 5.034 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 -1.850 56.235 58.000 0.142 0.000 0.955 618 F CB 0.910 39.988 39.000 0.129 0.000 1.136 618 F HN 0.531 nan 8.300 nan 0.000 0.452 619 F N 6.325 126.405 119.950 0.217 0.000 2.578 619 F HA 0.243 4.770 4.527 0.000 0.000 0.376 619 F C -1.601 174.302 175.800 0.173 0.000 1.085 619 F CA -1.878 56.212 58.000 0.151 0.000 1.260 619 F CB 0.704 39.769 39.000 0.108 0.000 1.095 619 F HN 0.242 nan 8.300 nan 0.000 0.573 620 P HA 0.004 nan 4.420 nan 0.000 0.225 620 P C -0.267 177.039 177.300 0.010 0.000 1.768 620 P CA 0.005 63.055 63.100 -0.084 0.000 0.943 620 P CB -0.126 31.467 31.700 -0.180 0.000 1.936 621 M N 1.514 121.325 119.600 0.352 0.000 2.249 621 M HA 0.246 4.726 4.480 0.000 0.000 0.340 621 M C 0.308 176.768 176.300 0.267 0.000 1.166 621 M CA -0.117 55.457 55.300 0.457 0.000 1.115 621 M CB 0.642 33.526 32.600 0.475 0.000 1.606 621 M HN 0.162 nan 8.290 nan 0.000 0.448 622 A N 3.687 126.627 122.820 0.199 0.000 2.540 622 A HA 0.000 4.320 4.320 0.000 0.000 0.239 622 A C 0.535 178.245 177.584 0.210 0.000 1.061 622 A CA -0.142 51.958 52.037 0.106 0.000 0.758 622 A CB -0.069 18.988 19.000 0.095 0.000 0.991 622 A HN 1.013 nan 8.150 nan 0.000 0.502 623 H N 2.317 121.433 119.070 0.077 0.000 2.422 623 H HA -0.153 4.403 4.556 0.000 0.000 0.298 623 H C 2.032 177.397 175.328 0.063 0.000 1.098 623 H CA 2.023 58.111 56.048 0.067 0.000 1.315 623 H CB -0.109 29.683 29.762 0.050 0.000 1.382 623 H HN 0.894 nan 8.280 nan 0.000 0.523 624 N N 0.255 119.065 118.700 0.184 0.000 2.188 624 N HA -0.100 4.640 4.740 0.000 0.000 0.184 624 N C 1.521 177.094 175.510 0.105 0.000 1.018 624 N CA 1.599 54.723 53.050 0.122 0.000 0.858 624 N CB -0.786 37.760 38.487 0.099 0.000 0.989 624 N HN 0.204 nan 8.380 nan 0.000 0.426 625 T N 1.211 115.833 114.554 0.113 0.000 2.737 625 T HA 0.099 4.449 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 1.575 63.731 62.100 0.093 0.000 1.144 625 T CB -0.488 68.437 68.868 0.095 0.000 0.866 625 T HN 0.487 nan 8.240 nan 0.000 0.434 626 A N 1.317 124.214 122.820 0.128 0.000 1.908 626 A HA -0.125 4.195 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 2.200 54.307 52.037 0.117 0.000 0.627 626 A CB -1.159 17.937 19.000 0.160 0.000 0.818 626 A HN 0.457 nan 8.150 nan 0.000 0.445 627 S N -1.137 114.610 115.700 0.079 0.000 2.370 627 S HA -0.157 4.313 4.470 0.000 0.000 0.226 627 S C 2.043 176.672 174.600 0.047 0.000 1.033 627 S CA 2.310 60.543 58.200 0.055 0.000 1.011 627 S CB -0.608 62.625 63.200 0.056 0.000 0.852 627 S HN 0.609 nan 8.310 nan 0.000 0.457 628 T N 2.354 116.939 114.554 0.051 0.000 2.812 628 T HA 0.011 4.361 4.350 0.000 0.000 0.264 628 T C 1.681 176.401 174.700 0.032 0.000 1.042 628 T CA 1.288 63.413 62.100 0.040 0.000 1.140 628 T CB -0.447 68.447 68.868 0.042 0.000 0.870 628 T HN 0.354 nan 8.240 nan 0.000 0.445 629 L N 1.633 122.877 121.223 0.035 0.000 2.083 629 L HA -0.023 4.317 4.340 0.000 0.000 0.209 629 L C 2.417 179.302 176.870 0.025 0.000 1.083 629 L CA 1.918 56.773 54.840 0.025 0.000 0.752 629 L CB -0.610 41.463 42.059 0.024 0.000 0.899 629 L HN 0.320 nan 8.230 nan 0.000 0.433 630 E N -0.364 119.856 120.200 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 1.225 57.643 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 1.091 123.921 122.820 0.018 0.000 1.908 631 A HA -0.189 4.131 4.320 0.000 0.000 0.218 631 A C 2.266 179.854 177.584 0.006 0.000 1.181 631 A CA 1.860 53.904 52.037 0.011 0.000 0.627 631 A CB -0.546 18.464 19.000 0.017 0.000 0.818 631 A HN 0.351 nan 8.150 nan 0.000 0.445 632 M N -0.691 118.915 119.600 0.010 0.000 2.132 632 M HA -0.054 4.426 4.480 0.000 0.000 0.263 632 M C 1.832 178.136 176.300 0.006 0.000 1.065 632 M CA 1.270 56.574 55.300 0.008 0.000 1.122 632 M CB -0.448 32.156 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 2.159 179.027 176.870 -0.003 0.000 1.153 633 L CA 0.502 55.345 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 -0.431 120.057 120.500 -0.019 0.000 2.297 634 R HA 0.081 4.421 4.340 0.000 0.000 0.197 634 R C 0.050 176.329 176.300 -0.035 0.000 0.943 634 R CA -0.089 55.971 56.100 -0.067 0.000 1.038 634 R CB 0.084 30.329 30.300 -0.093 0.000 0.957 634 R HN 0.345 nan 8.270 nan 0.000 0.484 635 N N 1.639 120.350 118.700 0.019 0.000 2.514 635 N HA -0.026 4.714 4.740 0.000 0.000 0.277 635 N C 0.146 175.724 175.510 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 -0.362 120.129 120.400 0.151 0.000 2.221 636 D HA -0.184 4.456 4.640 0.000 0.000 0.204 636 D C 1.501 177.803 176.300 0.002 0.000 0.982 636 D CA 1.171 55.203 54.000 0.054 0.000 0.857 636 D CB -0.221 40.470 40.800 -0.181 0.000 0.934 636 D HN 0.522 nan 8.370 nan 0.000 0.475 637 T N -0.672 113.884 114.554 0.003 0.000 2.833 637 T HA -0.150 4.200 4.350 0.000 0.000 0.269 637 T C 1.114 175.808 174.700 -0.010 0.000 1.054 637 T CA 0.989 63.083 62.100 -0.011 0.000 1.135 637 T CB -0.369 68.494 68.868 -0.007 0.000 0.869 637 T HN 0.046 nan 8.240 nan 0.000 0.466 638 N N 1.926 120.630 118.700 0.006 0.000 2.320 638 N HA 0.139 4.879 4.740 0.000 0.000 0.237 638 N C -0.881 174.632 175.510 0.005 0.000 1.129 638 N CA -0.138 52.911 53.050 -0.002 0.000 0.854 638 N CB 0.197 38.685 38.487 0.001 0.000 1.083 638 N HN 0.487 nan 8.380 nan 0.000 0.504 639 D N 1.316 121.725 120.400 0.016 0.000 2.423 639 D HA 0.039 4.679 4.640 0.000 0.000 0.238 639 D C 0.753 177.027 176.300 -0.042 0.000 1.142 639 D CA 0.579 54.596 54.000 0.029 0.000 0.884 639 D CB 1.177 41.996 40.800 0.031 0.000 1.199 639 D HN 0.125 nan 8.370 nan 0.000 0.438 640 Q N 0.148 119.920 119.800 -0.048 0.000 2.312 640 Q HA 0.514 4.854 4.340 0.000 0.000 0.236 640 Q C -0.339 175.483 176.000 -0.296 0.000 0.965 640 Q CA -0.460 55.230 55.803 -0.188 0.000 0.894 640 Q CB 1.230 29.925 28.738 -0.073 0.000 1.225 640 Q HN 0.512 nan 8.270 nan 0.000 0.478 641 S N 0.385 115.683 115.700 -0.670 0.000 2.533 641 S HA 0.758 5.228 4.470 0.000 0.000 0.271 641 S C -1.374 172.720 174.600 -0.844 0.000 1.143 641 S CA -0.849 57.046 58.200 -0.507 0.000 0.891 641 S CB 0.786 63.848 63.200 -0.231 0.000 1.105 641 S HN 0.411 nan 8.310 nan 0.000 0.468 642 F N 1.419 121.408 119.950 0.064 0.000 2.613 642 F HA 0.660 5.187 4.527 0.000 0.000 0.314 642 F C -0.146 175.780 175.800 0.211 0.000 1.075 642 F CA -0.777 57.301 58.000 0.130 0.000 0.945 642 F CB 1.911 41.000 39.000 0.149 0.000 1.310 642 F HN 0.830 nan 8.300 nan 0.000 0.467 643 N N -0.145 118.740 118.700 0.310 0.000 2.229 643 N HA 0.268 5.008 4.740 0.000 0.000 0.298 643 N C -1.864 173.523 175.510 -0.204 0.000 1.114 643 N CA -0.612 52.450 53.050 0.020 0.000 0.776 643 N CB 2.289 40.780 38.487 0.006 0.000 1.501 643 N HN 0.632 nan 8.380 nan 0.000 0.474 644 D N 0.244 120.144 120.400 -0.833 0.000 2.424 644 D HA -0.013 4.627 4.640 0.000 0.000 0.244 644 D C 0.903 177.048 176.300 -0.257 0.000 1.134 644 D CA -0.111 53.474 54.000 -0.692 0.000 0.881 644 D CB 0.563 40.781 40.800 -0.970 0.000 1.191 644 D HN 0.500 nan 8.370 nan 0.000 0.445 645 Y N 3.626 123.818 120.300 -0.181 0.000 2.145 645 Y HA -0.163 4.387 4.550 0.000 0.000 0.286 645 Y C 1.746 177.551 175.900 -0.158 0.000 1.145 645 Y CA 1.439 59.459 58.100 -0.133 0.000 1.148 645 Y CB -0.259 38.147 38.460 -0.091 0.000 0.981 645 Y HN 0.531 nan 8.280 nan 0.000 0.507 646 L N 0.533 121.722 121.223 -0.056 0.000 2.083 646 L HA -0.097 4.243 4.340 0.000 0.000 0.209 646 L C 1.128 177.851 176.870 -0.245 0.000 1.083 646 L CA 1.758 56.519 54.840 -0.131 0.000 0.752 646 L CB -0.850 41.185 42.059 -0.040 0.000 0.899 646 L HN 0.219 nan 8.230 nan 0.000 0.433 647 S N -0.058 115.482 115.700 -0.266 0.000 3.356 647 S HA 0.011 4.481 4.470 0.000 0.000 0.376 647 S C 0.056 174.521 174.600 -0.226 0.000 0.924 647 S CA 0.497 58.522 58.200 -0.291 0.000 1.316 647 S CB -1.627 61.335 63.200 -0.397 0.000 0.922 647 S HN 0.944 nan 8.310 nan 0.000 0.553 648 A N 0.549 123.286 122.820 -0.139 0.000 2.612 648 A HA 0.867 5.187 4.320 0.000 0.000 0.293 648 A C -0.519 177.050 177.584 -0.026 0.000 1.075 648 A CA -0.090 51.895 52.037 -0.086 0.000 0.680 648 A CB 1.066 20.017 19.000 -0.082 0.000 1.279 648 A HN 1.501 nan 8.150 nan 0.000 0.411 649 A N 1.610 124.400 122.820 -0.049 0.000 2.274 649 A HA 0.637 4.957 4.320 0.000 0.000 0.309 649 A C -0.392 177.253 177.584 0.101 0.000 1.226 649 A CA -0.633 51.371 52.037 -0.055 0.000 0.853 649 A CB 0.103 18.871 19.000 -0.386 0.000 1.146 649 A HN 0.670 nan 8.150 nan 0.000 0.518 650 N N 3.280 122.093 118.700 0.188 0.000 2.425 650 N HA 0.425 5.165 4.740 0.000 0.000 0.268 650 N C -0.914 174.781 175.510 0.309 0.000 0.991 650 N CA -0.229 53.035 53.050 0.357 0.000 0.931 650 N CB 1.412 40.153 38.487 0.424 0.000 1.130 650 N HN 0.531 nan 8.380 nan 0.000 0.493 651 M N 2.494 122.332 119.600 0.397 0.000 2.456 651 M HA 0.509 4.989 4.480 0.000 0.000 0.324 651 M C -0.544 175.838 176.300 0.137 0.000 1.124 651 M CA -0.548 54.875 55.300 0.205 0.000 0.959 651 M CB 1.791 34.623 32.600 0.387 0.000 1.692 651 M HN 0.249 nan 8.290 nan 0.000 0.444 652 L N 3.042 124.140 121.223 -0.208 0.000 2.381 652 L HA 0.534 4.874 4.340 0.000 0.000 0.274 652 L C -1.597 175.043 176.870 -0.382 0.000 0.988 652 L CA -0.645 54.105 54.840 -0.150 0.000 0.824 652 L CB 1.663 43.621 42.059 -0.168 0.000 1.263 652 L HN 0.563 nan 8.230 nan 0.000 0.410 653 Y N 3.438 123.775 120.300 0.062 0.000 2.341 653 Y HA 0.426 4.976 4.550 0.000 0.000 0.338 653 Y C -2.118 173.787 175.900 0.008 0.000 0.965 653 Y CA -2.667 55.456 58.100 0.038 0.000 1.108 653 Y CB 1.563 40.047 38.460 0.040 0.000 1.180 653 Y HN 0.354 nan 8.280 nan 0.000 0.458 654 P HA 0.201 nan 4.420 nan 0.000 0.271 654 P C -0.559 176.774 177.300 0.055 0.000 1.216 654 P CA 0.230 63.365 63.100 0.058 0.000 0.771 654 P CB 1.404 33.122 31.700 0.030 0.000 0.864 655 I N 4.747 125.329 120.570 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 -2.777 58.523 61.300 -0.000 0.000 1.142 655 I CB 1.643 39.625 38.000 -0.030 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 -0.013 0.000 1.201 656 P CA -0.124 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 2.881 125.693 122.820 -0.013 0.000 2.567 657 A HA -0.018 4.302 4.320 0.000 0.000 0.240 657 A C 0.912 178.490 177.584 -0.010 0.000 1.053 657 A CA 0.793 52.823 52.037 -0.011 0.000 0.755 657 A CB -1.379 17.617 19.000 -0.008 0.000 0.978 657 A HN 0.829 nan 8.150 nan 0.000 0.507 658 N N -0.834 117.859 118.700 -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 -0.014 0.000 0.953 658 N CA 0.539 53.583 53.050 -0.010 0.000 0.950 658 N CB -1.510 36.975 38.487 -0.002 0.000 1.102 658 N HN 1.220 nan 8.380 nan 0.000 0.593 659 A N 0.086 122.896 122.820 -0.018 0.000 2.483 659 A HA 0.368 4.688 4.320 0.000 0.000 0.238 659 A C 1.204 178.772 177.584 -0.028 0.000 1.070 659 A CA 1.018 53.044 52.037 -0.017 0.000 0.770 659 A CB 0.495 19.487 19.000 -0.014 0.000 1.008 659 A HN 0.231 nan 8.150 nan 0.000 0.497 660 T N 0.631 115.172 114.554 -0.022 0.000 2.964 660 T HA 0.122 4.472 4.350 0.000 0.000 0.249 660 T C 0.542 175.229 174.700 -0.022 0.000 1.000 660 T CA 0.361 62.444 62.100 -0.028 0.000 0.992 660 T CB -0.123 68.732 68.868 -0.021 0.000 1.087 660 T HN 0.711 nan 8.240 nan 0.000 0.489 661 N N 1.168 119.862 118.700 -0.010 0.000 2.392 661 N HA 0.462 5.202 4.740 0.000 0.000 0.283 661 N C -1.469 174.048 175.510 0.013 0.000 1.003 661 N CA -0.263 52.788 53.050 0.001 0.000 0.892 661 N CB 1.480 39.966 38.487 -0.003 0.000 1.193 661 N HN -0.155 nan 8.380 nan 0.000 0.487 662 V N 5.681 125.618 119.914 0.038 0.000 2.340 662 V HA 0.471 4.591 4.120 0.000 0.000 0.277 662 V C -2.283 173.854 176.094 0.071 0.000 1.017 662 V CA -1.216 61.111 62.300 0.045 0.000 0.820 662 V CB 1.235 33.075 31.823 0.028 0.000 1.028 662 V HN 0.669 nan 8.190 nan 0.000 0.436 663 P HA 0.590 nan 4.420 nan 0.000 0.300 663 P C -0.793 176.497 177.300 -0.016 0.000 1.326 663 P CA -0.393 62.715 63.100 0.014 0.000 0.844 663 P CB 2.195 33.899 31.700 0.006 0.000 0.992 664 I N -0.776 119.766 120.570 -0.046 0.000 2.740 664 I HA 0.761 4.931 4.170 0.000 0.000 0.303 664 I C -0.915 175.196 176.117 -0.010 0.000 1.044 664 I CA -0.961 60.267 61.300 -0.119 0.000 1.064 664 I CB 2.546 40.281 38.000 -0.442 0.000 1.249 664 I HN 0.174 nan 8.210 nan 0.000 0.433 665 S N 5.464 121.196 115.700 0.053 0.000 2.614 665 S HA 0.640 5.110 4.470 0.000 0.000 0.288 665 S C -0.924 173.760 174.600 0.140 0.000 1.137 665 S CA -0.647 57.606 58.200 0.088 0.000 0.992 665 S CB 1.238 64.479 63.200 0.068 0.000 1.026 665 S HN 0.498 nan 8.310 nan 0.000 0.486 666 I N 6.721 127.388 120.570 0.162 0.000 2.330 666 I HA 0.386 4.556 4.170 0.000 0.000 0.289 666 I C -2.041 174.157 176.117 0.135 0.000 1.001 666 I CA -2.610 58.791 61.300 0.169 0.000 1.193 666 I CB 1.002 39.163 38.000 0.268 0.000 1.345 666 I HN 0.448 nan 8.210 nan 0.000 0.461 667 P HA -0.020 nan 4.420 nan 0.000 0.269 667 P C 0.187 177.523 177.300 0.060 0.000 1.209 667 P CA -0.090 63.044 63.100 0.057 0.000 0.776 667 P CB 0.664 32.377 31.700 0.022 0.000 0.876 668 S N 2.387 118.138 115.700 0.085 0.000 3.116 668 S HA -0.061 4.409 4.470 0.000 0.000 0.367 668 S C 0.469 175.086 174.600 0.029 0.000 1.202 668 S CA 0.353 58.619 58.200 0.110 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 3.003 123.527 120.500 0.039 0.000 2.844 669 R HA 0.524 4.864 4.340 0.000 0.000 0.264 669 R C -1.200 174.978 176.300 -0.202 0.000 1.077 669 R CA -1.079 54.897 56.100 -0.206 0.000 0.953 669 R CB 0.297 30.274 30.300 -0.539 0.000 1.272 669 R HN 0.508 nan 8.270 nan 0.000 0.447 670 N N -0.554 117.946 118.700 -0.333 0.000 2.499 670 N HA 0.249 4.989 4.740 0.000 0.000 0.281 670 N C -1.014 174.253 175.510 -0.406 0.000 1.098 670 N CA -0.541 52.402 53.050 -0.178 0.000 0.979 670 N CB 0.644 39.068 38.487 -0.104 0.000 1.121 670 N HN 0.561 nan 8.380 nan 0.000 0.466 671 W N 2.332 123.656 121.300 0.041 0.000 2.862 671 W HA 0.488 5.148 4.660 0.000 0.000 0.376 671 W C 0.541 177.118 176.519 0.096 0.000 1.028 671 W CA -0.534 56.817 57.345 0.009 0.000 1.757 671 W CB -0.240 29.219 29.460 -0.002 0.000 1.128 671 W HN 0.499 nan 8.180 nan 0.000 0.566 672 A N 1.065 124.043 122.820 0.263 0.000 2.565 672 A HA 0.368 4.688 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 1.259 53.426 52.037 0.218 0.000 0.755 672 A CB -0.083 19.005 19.000 0.146 0.000 0.980 672 A HN 1.179 nan 8.150 nan 0.000 0.506 673 A N 1.203 124.143 122.820 0.200 0.000 3.396 673 A HA -0.196 4.124 4.320 0.000 0.000 0.267 673 A C 0.388 178.172 177.584 0.334 0.000 1.139 673 A CA 0.942 53.123 52.037 0.241 0.000 1.115 673 A CB -2.596 16.516 19.000 0.187 0.000 1.133 673 A HN 2.038 nan 8.150 nan 0.000 0.920 674 F N 1.420 121.437 119.950 0.112 0.000 2.608 674 F HA 0.382 4.909 4.527 0.000 0.000 0.380 674 F C 1.305 177.095 175.800 -0.016 0.000 1.083 674 F CA 0.597 58.599 58.000 0.004 0.000 1.266 674 F CB 0.370 39.280 39.000 -0.150 0.000 1.076 674 F HN 0.256 nan 8.300 nan 0.000 0.574 675 R N 3.152 123.243 120.500 -0.682 0.000 2.189 675 R HA 0.413 4.753 4.340 0.000 0.000 0.203 675 R C 0.776 176.584 176.300 -0.820 0.000 1.012 675 R CA 0.314 56.064 56.100 -0.584 0.000 1.015 675 R CB 0.054 30.069 30.300 -0.475 0.000 0.938 675 R HN 0.916 nan 8.270 nan 0.000 0.472 676 G N -0.700 107.086 108.800 -1.690 0.000 2.340 676 G HA2 -0.007 3.953 3.960 0.000 0.000 0.282 676 G HA3 -0.007 3.953 3.960 0.000 0.000 0.282 676 G C -1.838 172.545 174.900 -0.860 0.000 1.312 676 G CA -0.976 43.400 45.100 -1.207 0.000 0.942 676 G HN 0.025 nan 8.290 nan 0.000 0.495 677 W N -0.045 121.165 121.300 -0.151 0.000 2.781 677 W HA 0.756 5.416 4.660 0.000 0.000 0.345 677 W C 0.117 176.595 176.519 -0.069 0.000 1.085 677 W CA -0.269 57.032 57.345 -0.073 0.000 1.198 677 W CB 2.436 31.904 29.460 0.014 0.000 1.423 677 W HN 1.285 nan 8.180 nan 0.000 0.532 678 A N 2.743 125.650 122.820 0.145 0.000 2.486 678 A HA 0.938 5.258 4.320 0.000 0.000 0.300 678 A C -1.654 175.916 177.584 -0.023 0.000 1.048 678 A CA -0.551 51.455 52.037 -0.052 0.000 0.696 678 A CB 1.669 20.545 19.000 -0.206 0.000 1.278 678 A HN 0.672 nan 8.150 nan 0.000 0.405 679 F N -0.904 118.906 119.950 -0.233 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 -0.363 0.000 1.138 679 F CA -0.384 57.426 58.000 -0.316 0.000 0.943 679 F CB 1.138 40.023 39.000 -0.191 0.000 1.304 679 F HN 0.711 nan 8.300 nan 0.000 0.445 680 T N -0.438 114.072 114.554 -0.073 0.000 2.626 680 T HA 0.606 4.956 4.350 0.000 0.000 0.299 680 T C -1.714 173.274 174.700 0.479 0.000 1.181 680 T CA -1.191 60.928 62.100 0.031 0.000 1.053 680 T CB 1.996 70.648 68.868 -0.360 0.000 1.566 680 T HN 0.949 nan 8.240 nan 0.000 0.486 681 R N 0.118 120.849 120.500 0.385 0.000 2.575 681 R HA 0.742 5.082 4.340 0.000 0.000 0.293 681 R C -1.766 174.616 176.300 0.137 0.000 0.983 681 R CA -0.683 55.555 56.100 0.230 0.000 0.887 681 R CB 1.008 31.314 30.300 0.009 0.000 1.184 681 R HN 0.613 nan 8.270 nan 0.000 0.445 682 L N 2.678 123.981 121.223 0.133 0.000 2.323 682 L HA 0.579 4.919 4.340 0.000 0.000 0.265 682 L C -0.337 176.554 176.870 0.035 0.000 1.012 682 L CA -1.172 53.734 54.840 0.110 0.000 0.820 682 L CB 2.212 44.380 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 0.535 177.127 176.600 -0.013 0.000 1.027 683 K CA -0.396 55.893 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 2.346 116.888 114.554 -0.019 0.000 2.720 684 T HA -0.158 4.192 4.350 0.000 0.000 0.268 684 T C 1.337 176.025 174.700 -0.019 0.000 1.037 684 T CA 1.414 63.501 62.100 -0.021 0.000 1.144 684 T CB 0.002 68.857 68.868 -0.021 0.000 0.864 684 T HN 0.519 nan 8.240 nan 0.000 0.444 685 K N 0.918 121.285 120.400 -0.055 0.000 2.211 685 K HA -0.088 4.232 4.320 0.000 0.000 0.204 685 K C 1.800 178.261 176.600 -0.230 0.000 1.047 685 K CA 1.099 57.326 56.287 -0.101 0.000 0.935 685 K CB -0.041 32.379 32.500 -0.133 0.000 0.728 685 K HN 0.518 nan 8.250 nan 0.000 0.452 686 E N 0.135 120.168 120.200 -0.278 0.000 2.444 686 E HA 0.030 4.380 4.350 0.000 0.000 0.191 686 E C -0.522 176.133 176.600 0.092 0.000 1.041 686 E CA 0.145 56.316 56.400 -0.381 0.000 0.883 686 E CB 0.797 30.279 29.700 -0.363 0.000 1.024 686 E HN -0.007 nan 8.360 nan 0.000 0.470 687 T N 3.837 118.453 114.554 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 60.615 62.100 0.019 0.000 1.000 687 T CB 1.349 70.169 68.868 -0.080 0.000 1.008 687 T HN 0.006 nan 8.240 nan 0.000 0.473 688 P HA 0.120 nan 4.420 nan 0.000 0.269 688 P C -0.097 176.984 177.300 -0.365 0.000 1.215 688 P CA -0.286 62.413 63.100 -0.668 0.000 0.780 688 P CB 0.763 31.733 31.700 -1.216 0.000 0.898 689 S N 2.451 117.986 115.700 -0.275 0.000 2.455 689 S HA 0.285 4.755 4.470 0.000 0.000 0.278 689 S C 0.101 174.594 174.600 -0.179 0.000 1.216 689 S CA -0.612 57.477 58.200 -0.186 0.000 1.055 689 S CB -0.911 62.229 63.200 -0.101 0.000 0.939 689 S HN 0.261 nan 8.310 nan 0.000 0.494 690 L N 4.318 125.448 121.223 -0.156 0.000 2.365 690 L HA 0.700 5.040 4.340 0.000 0.000 0.267 690 L C 1.620 178.469 176.870 -0.034 0.000 1.033 690 L CA -0.128 54.666 54.840 -0.078 0.000 0.802 690 L CB 1.021 43.053 42.059 -0.043 0.000 1.267 690 L HN 0.925 nan 8.230 nan 0.000 0.457 691 G N 0.272 109.084 108.800 0.019 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 1.417 117.113 115.700 -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 58.940 58.200 -0.015 0.000 1.043 692 S CB 1.594 64.770 63.200 -0.039 0.000 0.939 692 S HN 1.648 nan 8.310 nan 0.000 0.504 693 G N 0.409 109.208 108.800 -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 -0.151 174.648 174.900 -0.167 0.000 1.122 693 G CA 0.506 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 -0.398 119.635 120.300 -0.445 0.000 2.390 694 Y HA 0.388 4.938 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 -1.444 56.387 58.100 -0.450 0.000 1.053 694 Y CB 1.949 39.913 38.460 -0.827 0.000 1.277 694 Y HN -0.051 nan 8.280 nan 0.000 0.432 695 D N 8.363 128.387 120.400 -0.627 0.000 2.443 695 D HA 0.306 4.946 4.640 0.000 0.000 0.221 695 D C -1.768 174.187 176.300 -0.575 0.000 1.097 695 D CA -2.512 51.223 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 -0.152 nan 4.420 nan 0.000 0.220 696 P C 0.558 177.632 177.300 -0.376 0.000 1.148 696 P CA 0.997 63.844 63.100 -0.421 0.000 0.803 696 P CB 0.003 31.386 31.700 -0.529 0.000 0.782 697 Y N -2.487 117.808 120.300 -0.008 0.000 2.493 697 Y HA 0.186 4.736 4.550 0.000 0.000 0.275 697 Y C 0.916 176.859 175.900 0.072 0.000 1.183 697 Y CA -0.800 57.314 58.100 0.023 0.000 1.258 697 Y CB -0.626 37.844 38.460 0.017 0.000 1.108 697 Y HN -0.096 nan 8.280 nan 0.000 0.521 698 Y N 2.389 122.676 120.300 -0.022 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 -0.707 57.389 58.100 -0.007 0.000 1.295 698 Y CB 0.467 38.877 38.460 -0.083 0.000 1.147 698 Y HN 0.086 nan 8.280 nan 0.000 0.515 699 T N 2.727 117.188 114.554 -0.156 0.000 3.327 699 T HA 0.231 4.581 4.350 0.000 0.000 0.244 699 T C -1.109 173.495 174.700 -0.161 0.000 1.074 699 T CA -0.446 61.573 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 0.976 120.913 120.300 -0.604 0.000 2.513 700 Y HA 0.553 5.103 4.550 0.000 0.000 0.340 700 Y C -0.093 175.550 175.900 -0.428 0.000 1.055 700 Y CA -0.897 56.923 58.100 -0.467 0.000 1.020 700 Y CB 2.118 40.310 38.460 -0.447 0.000 1.301 700 Y HN 0.208 nan 8.280 nan 0.000 0.453 701 S N 1.902 117.068 115.700 -0.890 0.000 2.952 701 S HA 0.468 4.938 4.470 0.000 0.000 0.251 701 S C 0.387 174.601 174.600 -0.643 0.000 1.021 701 S CA -0.013 57.837 58.200 -0.584 0.000 1.067 701 S CB -0.005 63.030 63.200 -0.276 0.000 1.002 701 S HN 0.988 nan 8.310 nan 0.000 0.574 702 G N 2.123 110.121 108.800 -1.338 0.000 2.531 702 G HA2 0.495 4.455 3.960 0.000 0.000 0.253 702 G HA3 0.495 4.455 3.960 0.000 0.000 0.253 702 G C 0.101 174.978 174.900 -0.037 0.000 1.439 702 G CA -0.126 44.676 45.100 -0.496 0.000 1.056 702 G HN 0.727 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 0.376 4.846 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 57.939 58.200 0.207 0.000 1.039 703 S CB 0.747 64.034 63.200 0.145 0.000 0.902 703 S HN 0.380 nan 8.310 nan 0.000 0.516 704 I N 3.270 123.973 120.570 0.223 0.000 2.503 704 I HA 0.276 4.446 4.170 0.000 0.000 0.277 704 I C -1.973 174.201 176.117 0.096 0.000 1.078 704 I CA -2.320 59.126 61.300 0.245 0.000 1.184 704 I CB 1.382 39.530 38.000 0.246 0.000 1.353 704 I HN 0.455 nan 8.210 nan 0.000 0.490 705 P HA -0.286 nan 4.420 nan 0.000 0.218 705 P C 1.570 178.712 177.300 -0.264 0.000 1.154 705 P CA 1.681 64.654 63.100 -0.212 0.000 0.872 705 P CB 0.027 31.748 31.700 0.035 0.000 0.790 706 Y N -0.212 120.079 120.300 -0.015 0.000 2.207 706 Y HA -0.194 4.356 4.550 0.000 0.000 0.287 706 Y C 1.842 177.752 175.900 0.016 0.000 1.156 706 Y CA 1.566 59.692 58.100 0.042 0.000 1.182 706 Y CB -0.563 37.848 38.460 -0.081 0.000 0.979 706 Y HN -0.126 nan 8.280 nan 0.000 0.521 707 L N -0.852 120.363 121.223 -0.013 0.000 2.388 707 L HA 0.058 4.398 4.340 0.000 0.000 0.209 707 L C 1.538 178.348 176.870 -0.099 0.000 1.061 707 L CA 0.872 55.681 54.840 -0.051 0.000 0.834 707 L CB -0.253 41.860 42.059 0.091 0.000 1.029 707 L HN 0.173 nan 8.230 nan 0.000 0.473 708 D N -0.830 119.488 120.400 -0.137 0.000 2.360 708 D HA 0.099 4.739 4.640 0.000 0.000 0.210 708 D C 1.441 177.553 176.300 -0.313 0.000 1.047 708 D CA 0.687 54.587 54.000 -0.166 0.000 0.854 708 D CB 0.407 41.143 40.800 -0.106 0.000 0.936 708 D HN 0.181 nan 8.370 nan 0.000 0.514 709 G N 0.464 108.923 108.800 -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 0.672 175.156 174.900 -0.693 0.000 0.981 709 G CA 0.527 45.138 45.100 -0.814 0.000 0.665 709 G HN 0.684 nan 8.290 nan 0.000 0.528 710 T N -0.454 113.695 114.554 -0.673 0.000 3.820 710 T HA 0.555 4.905 4.350 0.000 0.000 0.224 710 T C 0.618 175.265 174.700 -0.088 0.000 0.869 710 T CA -0.545 61.141 62.100 -0.690 0.000 0.932 710 T CB -0.739 67.485 68.868 -1.074 0.000 1.259 710 T HN 0.301 nan 8.240 nan 0.000 0.676 711 F N 2.485 122.561 119.950 0.211 0.000 2.518 711 F HA 0.303 4.830 4.527 0.000 0.000 0.359 711 F C 1.065 177.147 175.800 0.470 0.000 1.118 711 F CA -0.677 57.482 58.000 0.265 0.000 1.287 711 F CB 0.437 39.505 39.000 0.113 0.000 1.132 711 F HN 0.520 nan 8.300 nan 0.000 0.587 712 Y N -0.306 120.279 120.300 0.475 0.000 2.957 712 Y HA 0.436 4.986 4.550 0.000 0.000 0.274 712 Y C -0.407 175.723 175.900 0.384 0.000 1.065 712 Y CA -0.475 57.870 58.100 0.409 0.000 1.273 712 Y CB -0.864 37.829 38.460 0.389 0.000 1.358 712 Y HN 0.417 nan 8.280 nan 0.000 0.585 713 L N 0.922 122.128 121.223 -0.030 0.000 3.014 713 L HA 0.317 4.657 4.340 0.000 0.000 0.263 713 L C 0.979 177.835 176.870 -0.024 0.000 1.207 713 L CA -0.077 54.678 54.840 -0.142 0.000 1.017 713 L CB 0.110 41.993 42.059 -0.294 0.000 1.360 713 L HN 0.212 nan 8.230 nan 0.000 0.560 714 N N 0.608 119.421 118.700 0.187 0.000 2.364 714 N HA -0.176 4.564 4.740 0.000 0.000 0.183 714 N C 1.673 177.597 175.510 0.691 0.000 1.022 714 N CA 1.132 54.385 53.050 0.339 0.000 0.883 714 N CB -0.122 38.191 38.487 -0.289 0.000 0.965 714 N HN 0.589 nan 8.380 nan 0.000 0.438 715 H N -0.221 119.032 119.070 0.305 0.000 2.559 715 H HA 0.074 4.630 4.556 0.000 0.000 0.273 715 H C 1.032 176.390 175.328 0.051 0.000 1.000 715 H CA 1.229 57.271 56.048 -0.011 0.000 1.195 715 H CB -0.625 28.907 29.762 -0.383 0.000 1.368 715 H HN 0.134 nan 8.280 nan 0.000 0.592 716 T N -2.434 111.958 114.554 -0.271 0.000 3.144 716 T HA 0.158 4.508 4.350 0.000 0.000 0.249 716 T C 0.118 174.710 174.700 -0.179 0.000 1.089 716 T CA -0.554 61.389 62.100 -0.261 0.000 0.989 716 T CB -0.736 67.885 68.868 -0.412 0.000 0.992 716 T HN 0.012 nan 8.240 nan 0.000 0.540 717 F N 1.420 121.425 119.950 0.092 0.000 2.394 717 F HA 0.596 5.123 4.527 0.000 0.000 0.340 717 F C 1.370 177.147 175.800 -0.037 0.000 1.105 717 F CA -1.140 56.907 58.000 0.078 0.000 1.124 717 F CB 1.815 40.926 39.000 0.184 0.000 1.145 717 F HN -0.103 nan 8.300 nan 0.000 0.505 718 K N 2.237 122.687 120.400 0.083 0.000 2.161 718 K HA 0.186 4.506 4.320 0.000 0.000 0.205 718 K C -0.508 176.036 176.600 -0.095 0.000 1.035 718 K CA 0.724 57.005 56.287 -0.011 0.000 0.970 718 K CB 0.368 32.856 32.500 -0.020 0.000 0.866 718 K HN 0.647 nan 8.250 nan 0.000 0.461 719 K N -1.305 119.042 120.400 -0.088 0.000 2.579 719 K HA 0.479 4.799 4.320 0.000 0.000 0.284 719 K C -1.571 174.902 176.600 -0.213 0.000 0.990 719 K CA -1.118 55.067 56.287 -0.170 0.000 0.880 719 K CB 2.140 34.561 32.500 -0.132 0.000 1.488 719 K HN -0.168 nan 8.250 nan 0.000 0.425 720 V N 0.102 119.847 119.914 -0.281 0.000 2.686 720 V HA 0.737 4.857 4.120 0.000 0.000 0.306 720 V C -1.026 174.892 176.094 -0.294 0.000 1.065 720 V CA -0.741 61.250 62.300 -0.515 0.000 0.894 720 V CB 1.521 32.869 31.823 -0.791 0.000 1.004 720 V HN 0.967 nan 8.190 nan 0.000 0.424 721 A N 5.724 128.328 122.820 -0.360 0.000 2.318 721 A HA 0.923 5.243 4.320 0.000 0.000 0.317 721 A C -0.830 176.602 177.584 -0.252 0.000 1.159 721 A CA -0.482 51.441 52.037 -0.190 0.000 0.799 721 A CB 0.761 19.673 19.000 -0.148 0.000 1.194 721 A HN 0.784 nan 8.150 nan 0.000 0.479 722 I N 2.046 122.545 120.570 -0.119 0.000 2.406 722 I HA 0.470 4.640 4.170 0.000 0.000 0.290 722 I C -0.463 175.629 176.117 -0.042 0.000 0.999 722 I CA -0.209 60.983 61.300 -0.179 0.000 1.124 722 I CB 2.415 40.313 38.000 -0.170 0.000 1.289 722 I HN 0.582 nan 8.210 nan 0.000 0.441 723 T N 5.605 120.066 114.554 -0.154 0.000 2.928 723 T HA 0.497 4.847 4.350 0.000 0.000 0.296 723 T C -0.662 173.949 174.700 -0.148 0.000 1.000 723 T CA -0.480 61.591 62.100 -0.049 0.000 0.989 723 T CB 0.965 69.823 68.868 -0.017 0.000 1.005 723 T HN 0.086 nan 8.240 nan 0.000 0.442 724 F N 2.171 122.171 119.950 0.083 0.000 2.399 724 F HA 0.353 4.880 4.527 0.000 0.000 0.334 724 F C 1.295 177.153 175.800 0.098 0.000 1.097 724 F CA -0.311 57.722 58.000 0.056 0.000 1.076 724 F CB 0.884 39.901 39.000 0.028 0.000 1.162 724 F HN 0.614 nan 8.300 nan 0.000 0.495 725 D N 2.296 122.879 120.400 0.305 0.000 2.702 725 D HA -0.260 4.380 4.640 0.000 0.000 0.233 725 D C 0.708 177.082 176.300 0.124 0.000 1.164 725 D CA 1.105 55.223 54.000 0.196 0.000 0.638 725 D CB -1.015 39.904 40.800 0.199 0.000 1.041 725 D HN 0.848 nan 8.370 nan 0.000 0.422 726 S N -2.362 113.396 115.700 0.096 0.000 3.491 726 S HA -0.280 4.190 4.470 0.000 0.000 0.371 726 S C 0.920 175.557 174.600 0.062 0.000 0.980 726 S CA 2.032 60.269 58.200 0.061 0.000 1.204 726 S CB -2.107 61.120 63.200 0.046 0.000 0.915 726 S HN 1.473 nan 8.310 nan 0.000 0.482 727 S N -3.219 112.531 115.700 0.083 0.000 1.773 727 S HA 0.169 4.639 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 0.073 0.000 1.503 727 S CB -0.116 63.123 63.200 0.064 0.000 0.926 727 S HN 1.076 nan 8.310 nan 0.000 0.380 728 V N 3.565 123.565 119.914 0.143 0.000 2.368 728 V HA 0.642 4.762 4.120 0.000 0.000 0.266 728 V C 0.425 176.658 176.094 0.232 0.000 1.045 728 V CA -0.150 62.255 62.300 0.176 0.000 0.899 728 V CB 0.921 32.868 31.823 0.205 0.000 1.006 728 V HN 0.551 nan 8.190 nan 0.000 0.470 729 S N 5.165 120.970 115.700 0.175 0.000 2.548 729 S HA 0.417 4.887 4.470 0.000 0.000 0.277 729 S C -0.897 173.882 174.600 0.297 0.000 1.315 729 S CA -0.427 57.886 58.200 0.188 0.000 1.050 729 S CB 0.357 63.606 63.200 0.083 0.000 0.918 729 S HN 0.663 nan 8.310 nan 0.000 0.497 730 W N 6.480 127.914 121.300 0.224 0.000 2.702 730 W HA 0.517 5.177 4.660 0.000 0.000 0.331 730 W C -1.965 174.753 176.519 0.332 0.000 1.049 730 W CA -2.147 55.403 57.345 0.341 0.000 1.230 730 W CB 1.652 31.483 29.460 0.618 0.000 1.408 730 W HN 0.513 nan 8.180 nan 0.000 0.492 731 P HA 0.095 nan 4.420 nan 0.000 0.241 731 P C 0.914 177.933 177.300 -0.469 0.000 1.191 731 P CA 1.430 63.740 63.100 -1.315 0.000 0.771 731 P CB 0.317 31.238 31.700 -1.299 0.000 0.929 732 G N 1.886 110.550 108.800 -0.226 0.000 2.581 732 G HA2 -0.365 3.595 3.960 0.000 0.000 0.291 732 G HA3 -0.365 3.595 3.960 0.000 0.000 0.291 732 G C 0.379 175.196 174.900 -0.138 0.000 1.277 732 G CA 0.339 45.370 45.100 -0.115 0.000 0.959 732 G HN 0.325 nan 8.290 nan 0.000 0.554 733 N N 0.128 118.775 118.700 -0.088 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 55.510 53.050 -0.081 0.000 0.732 733 N CB -0.871 37.554 38.487 -0.103 0.000 1.107 733 N HN 1.570 nan 8.380 nan 0.000 0.559 734 D N -1.392 118.964 120.400 -0.072 0.000 2.751 734 D HA -0.223 4.417 4.640 0.000 0.000 0.233 734 D C 1.158 177.425 176.300 -0.056 0.000 1.149 734 D CA 1.160 55.125 54.000 -0.058 0.000 0.682 734 D CB -0.176 40.601 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 0.573 56.641 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 0.330 nan 8.270 nan 0.000 0.433 736 L N 1.253 122.434 121.223 -0.071 0.000 2.421 736 L HA 0.166 4.506 4.340 0.000 0.000 0.263 736 L C 1.935 178.800 176.870 -0.009 0.000 1.122 736 L CA -0.434 54.370 54.840 -0.059 0.000 0.804 736 L CB 0.602 42.540 42.059 -0.202 0.000 1.150 736 L HN 0.003 nan 8.230 nan 0.000 0.457 737 L N 0.598 121.866 121.223 0.075 0.000 2.127 737 L HA -0.125 4.215 4.340 0.000 0.000 0.211 737 L C 1.102 178.004 176.870 0.054 0.000 1.089 737 L CA 1.372 56.324 54.840 0.187 0.000 0.757 737 L CB -0.572 41.844 42.059 0.595 0.000 0.899 737 L HN 0.801 nan 8.230 nan 0.000 0.434 738 T N -4.072 110.438 114.554 -0.073 0.000 3.250 738 T HA 0.271 4.621 4.350 0.000 0.000 0.391 738 T C -1.530 173.083 174.700 -0.145 0.000 1.502 738 T CA -1.881 60.135 62.100 -0.139 0.000 1.320 738 T CB 0.918 69.655 68.868 -0.218 0.000 1.102 738 T HN -0.056 nan 8.240 nan 0.000 0.610 739 P HA -0.184 nan 4.420 nan 0.000 0.218 739 P C 0.841 178.053 177.300 -0.146 0.000 1.150 739 P CA 1.211 64.235 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 0.151 118.780 118.700 -0.118 0.000 2.398 740 N HA 0.004 4.744 4.740 0.000 0.000 0.188 740 N C 0.827 176.276 175.510 -0.102 0.000 1.122 740 N CA 0.618 53.613 53.050 -0.092 0.000 0.866 740 N CB 0.310 38.759 38.487 -0.064 0.000 0.970 740 N HN 0.544 nan 8.380 nan 0.000 0.462 741 E N -0.838 119.265 120.200 -0.162 0.000 2.422 741 E HA 0.151 4.501 4.350 0.000 0.000 0.280 741 E C -1.625 174.848 176.600 -0.212 0.000 1.091 741 E CA -0.676 55.649 56.400 -0.124 0.000 0.849 741 E CB 0.212 29.855 29.700 -0.095 0.000 1.353 741 E HN -0.228 nan 8.360 nan 0.000 0.449 742 F N 1.310 121.184 119.950 -0.127 0.000 2.350 742 F HA 0.284 4.811 4.527 0.000 0.000 0.365 742 F C 0.428 176.104 175.800 -0.206 0.000 1.122 742 F CA -0.386 57.556 58.000 -0.096 0.000 1.139 742 F CB 1.175 40.157 39.000 -0.030 0.000 1.220 742 F HN 0.175 nan 8.300 nan 0.000 0.499 743 E N 4.672 124.838 120.200 -0.057 0.000 2.130 743 E HA 0.214 4.564 4.350 0.000 0.000 0.284 743 E C 0.777 177.247 176.600 -0.217 0.000 1.018 743 E CA -0.132 56.184 56.400 -0.140 0.000 0.817 743 E CB 1.516 31.139 29.700 -0.129 0.000 1.078 743 E HN 0.687 nan 8.360 nan 0.000 0.396 744 I N 2.857 123.157 120.570 -0.451 0.000 2.333 744 I HA -0.142 4.028 4.170 0.000 0.000 0.246 744 I C 0.738 176.694 176.117 -0.269 0.000 1.106 744 I CA 1.048 61.863 61.300 -0.809 0.000 1.411 744 I CB 0.083 37.411 38.000 -1.121 0.000 1.082 744 I HN 0.379 nan 8.210 nan 0.000 0.420 745 K N 0.559 120.907 120.400 -0.087 0.000 2.525 745 K HA 0.512 4.832 4.320 0.000 0.000 0.254 745 K C -0.867 175.760 176.600 0.046 0.000 0.934 745 K CA -0.804 55.530 56.287 0.079 0.000 0.802 745 K CB 2.120 34.759 32.500 0.231 0.000 1.295 745 K HN -0.157 nan 8.250 nan 0.000 0.433 746 R N 0.589 121.129 120.500 0.067 0.000 2.574 746 R HA 0.264 4.604 4.340 0.000 0.000 0.266 746 R C -0.105 176.230 176.300 0.057 0.000 1.157 746 R CA -0.449 55.674 56.100 0.039 0.000 1.187 746 R CB 1.198 31.525 30.300 0.046 0.000 1.179 746 R HN 0.879 nan 8.270 nan 0.000 0.600 747 S N 0.071 115.794 115.700 0.039 0.000 2.060 747 S HA 0.135 4.605 4.470 0.000 0.000 0.156 747 S C 0.741 175.367 174.600 0.043 0.000 1.690 747 S CA -0.071 58.155 58.200 0.044 0.000 1.238 747 S CB 0.220 63.436 63.200 0.027 0.000 1.150 747 S HN 0.734 nan 8.310 nan 0.000 0.437 748 V N 1.342 121.291 119.914 0.058 0.000 0.572 748 V HA -0.465 3.655 4.120 0.000 0.000 0.092 748 V C 1.496 177.618 176.094 0.047 0.000 1.935 748 V CA 3.033 65.365 62.300 0.053 0.000 3.442 748 V CB -2.118 29.730 31.823 0.042 0.000 0.733 748 V HN 0.699 nan 8.190 nan 0.000 0.760 749 D N 1.975 122.396 120.400 0.034 0.000 2.311 749 D HA -0.024 4.616 4.640 0.000 0.000 0.204 749 D C 1.251 177.576 176.300 0.041 0.000 1.000 749 D CA 2.130 56.148 54.000 0.029 0.000 0.910 749 D CB -0.577 40.232 40.800 0.014 0.000 0.900 749 D HN 1.233 nan 8.370 nan 0.000 0.463 750 G N -0.065 108.767 108.800 0.053 0.000 4.740 750 G HA2 0.116 4.076 3.960 0.000 0.000 0.290 750 G HA3 0.116 4.076 3.960 0.000 0.000 0.290 750 G C 0.772 175.748 174.900 0.127 0.000 1.333 750 G CA -0.429 44.725 45.100 0.089 0.000 0.923 750 G HN -0.121 nan 8.290 nan 0.000 0.559 751 E N 0.908 121.171 120.200 0.106 0.000 2.015 751 E HA -0.092 4.258 4.350 0.000 0.000 0.191 751 E C 2.681 179.349 176.600 0.113 0.000 0.991 751 E CA 1.235 57.695 56.400 0.101 0.000 0.802 751 E CB -0.236 29.507 29.700 0.071 0.000 0.759 751 E HN 0.455 nan 8.360 nan 0.000 0.447 752 G N 0.646 109.505 108.800 0.098 0.000 2.663 752 G HA2 -0.329 3.631 3.960 0.000 0.000 0.222 752 G HA3 -0.329 3.631 3.960 0.000 0.000 0.222 752 G C 1.493 176.422 174.900 0.049 0.000 1.146 752 G CA 1.501 46.635 45.100 0.057 0.000 0.764 752 G HN 0.283 nan 8.290 nan 0.000 0.608 753 Y N 1.357 121.676 120.300 0.032 0.000 2.224 753 Y HA -0.032 4.518 4.550 0.000 0.000 0.289 753 Y C 1.403 177.329 175.900 0.042 0.000 1.146 753 Y CA 0.909 59.031 58.100 0.036 0.000 1.182 753 Y CB -0.208 38.272 38.460 0.033 0.000 0.983 753 Y HN 0.108 nan 8.280 nan 0.000 0.524 754 N N 0.352 119.169 118.700 0.196 0.000 2.454 754 N HA 0.165 4.905 4.740 0.000 0.000 0.254 754 N C -0.181 175.369 175.510 0.067 0.000 1.228 754 N CA 0.352 53.482 53.050 0.134 0.000 0.900 754 N CB 0.861 39.426 38.487 0.130 0.000 1.089 754 N HN 0.047 nan 8.380 nan 0.000 0.449 755 V N -2.223 117.704 119.914 0.022 0.000 3.182 755 V HA 0.843 4.963 4.120 0.000 0.000 0.311 755 V C 0.936 176.963 176.094 -0.113 0.000 1.221 755 V CA -0.701 61.552 62.300 -0.078 0.000 1.060 755 V CB 0.674 32.377 31.823 -0.200 0.000 1.164 755 V HN 0.729 nan 8.190 nan 0.000 0.466 756 A N -0.696 121.999 122.820 -0.208 0.000 2.799 756 A HA -0.293 4.027 4.320 0.000 0.000 0.274 756 A C 0.996 178.566 177.584 -0.025 0.000 1.393 756 A CA 1.817 53.761 52.037 -0.155 0.000 0.909 756 A CB -2.465 16.419 19.000 -0.193 0.000 1.012 756 A HN 1.648 nan 8.150 nan 0.000 0.653 757 Q N -4.233 115.564 119.800 -0.005 0.000 2.487 757 Q HA -0.259 4.081 4.340 0.000 0.000 0.279 757 Q C 0.299 176.337 176.000 0.064 0.000 1.228 757 Q CA 1.112 56.931 55.803 0.027 0.000 0.873 757 Q CB -2.722 26.025 28.738 0.015 0.000 1.260 757 Q HN 2.150 nan 8.270 nan 0.000 0.471 758 C N -2.722 116.639 119.300 0.102 0.000 3.292 758 C HA 0.564 5.024 4.460 0.000 0.000 0.369 758 C C 1.255 176.367 174.990 0.202 0.000 1.664 758 C CA -0.265 58.856 59.018 0.172 0.000 1.204 758 C CB 0.828 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 0.648 119.517 118.700 0.282 0.000 2.449 759 N HA 0.030 4.770 4.740 0.000 0.000 0.191 759 N C 0.225 175.901 175.510 0.276 0.000 1.161 759 N CA 0.065 53.272 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 1.734 121.498 119.600 0.274 0.000 2.242 760 M HA 0.075 4.555 4.480 0.000 0.000 0.344 760 M C 0.154 176.552 176.300 0.163 0.000 1.140 760 M CA -0.270 55.150 55.300 0.199 0.000 1.160 760 M CB 0.860 33.520 32.600 0.100 0.000 1.491 760 M HN 0.205 nan 8.290 nan 0.000 0.459 761 T N 1.165 115.822 114.554 0.171 0.000 2.899 761 T HA 0.313 4.663 4.350 0.000 0.000 0.284 761 T C 0.740 175.567 174.700 0.212 0.000 1.004 761 T CA -0.677 61.536 62.100 0.189 0.000 1.043 761 T CB 1.127 70.091 68.868 0.159 0.000 1.013 761 T HN 0.798 nan 8.240 nan 0.000 0.518 762 K N 0.487 121.023 120.400 0.226 0.000 2.057 762 K HA -0.121 4.199 4.320 0.000 0.000 0.207 762 K C 1.824 178.558 176.600 0.223 0.000 1.049 762 K CA 1.585 57.997 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 0.219 120.749 120.400 0.216 0.000 2.106 763 D HA -0.231 4.409 4.640 0.000 0.000 0.191 763 D C 1.487 177.862 176.300 0.124 0.000 0.997 763 D CA 0.921 55.009 54.000 0.147 0.000 0.834 763 D CB -0.282 40.584 40.800 0.110 0.000 0.956 763 D HN 0.373 nan 8.370 nan 0.000 0.448 764 W N 0.324 121.588 121.300 -0.060 0.000 2.388 764 W HA -0.211 4.449 4.660 0.000 0.000 0.294 764 W C 2.036 178.413 176.519 -0.236 0.000 1.212 764 W CA 0.368 57.611 57.345 -0.171 0.000 1.271 764 W CB -0.406 28.926 29.460 -0.214 0.000 1.126 764 W HN -0.089 nan 8.180 nan 0.000 0.535 765 F N 1.246 121.075 119.950 -0.202 0.000 2.171 765 F HA -0.231 4.296 4.527 0.000 0.000 0.300 765 F C 2.244 177.844 175.800 -0.333 0.000 1.090 765 F CA 1.763 59.549 58.000 -0.356 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 -0.229 120.900 121.223 -0.155 0.000 2.027 766 L HA -0.117 4.223 4.340 0.000 0.000 0.206 766 L C 2.169 178.834 176.870 -0.340 0.000 1.074 766 L CA 1.695 56.483 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 0.027 nan 8.230 nan 0.000 0.433 767 V N -0.305 119.324 119.914 -0.475 0.000 2.358 767 V HA -0.248 3.872 4.120 0.000 0.000 0.246 767 V C 2.676 178.317 176.094 -0.756 0.000 1.047 767 V CA 1.641 63.541 62.300 -0.668 0.000 1.035 767 V CB -0.800 30.542 31.823 -0.803 0.000 0.658 767 V HN 0.503 nan 8.190 nan 0.000 0.452 768 Q N -0.996 118.184 119.800 -1.034 0.000 2.119 768 Q HA -0.088 4.252 4.340 0.000 0.000 0.201 768 Q C 2.230 177.791 176.000 -0.733 0.000 0.972 768 Q CA 1.253 56.396 55.803 -1.099 0.000 0.847 768 Q CB -0.417 27.253 28.738 -1.780 0.000 0.903 768 Q HN 0.463 nan 8.270 nan 0.000 0.433 769 M N -0.018 119.209 119.600 -0.622 0.000 2.175 769 M HA -0.064 4.416 4.480 0.000 0.000 0.264 769 M C 2.268 178.455 176.300 -0.188 0.000 1.063 769 M CA 1.076 56.216 55.300 -0.267 0.000 1.119 769 M CB -0.868 31.541 32.600 -0.318 0.000 1.377 769 M HN 0.160 nan 8.290 nan 0.000 0.415 770 L N -0.410 120.657 121.223 -0.260 0.000 2.027 770 L HA -0.127 4.213 4.340 0.000 0.000 0.206 770 L C 2.707 179.480 176.870 -0.161 0.000 1.074 770 L CA 1.154 55.889 54.840 -0.176 0.000 0.745 770 L CB -0.899 41.067 42.059 -0.154 0.000 0.898 770 L HN 0.243 nan 8.230 nan 0.000 0.433 771 A N 0.223 122.900 122.820 -0.239 0.000 1.940 771 A HA -0.229 4.091 4.320 0.000 0.000 0.219 771 A C 1.965 179.372 177.584 -0.296 0.000 1.176 771 A CA 2.369 54.271 52.037 -0.225 0.000 0.631 771 A CB -0.642 18.182 19.000 -0.293 0.000 0.814 771 A HN 0.483 nan 8.150 nan 0.000 0.446 772 N N -2.397 116.022 118.700 -0.468 0.000 2.336 772 N HA 0.055 4.795 4.740 0.000 0.000 0.177 772 N C 0.558 175.556 175.510 -0.853 0.000 1.018 772 N CA 1.348 53.930 53.050 -0.779 0.000 0.878 772 N CB -0.003 37.721 38.487 -1.271 0.000 0.997 772 N HN 0.624 nan 8.380 nan 0.000 0.433 773 Y N -1.425 118.820 120.300 -0.092 0.000 2.610 773 Y HA 0.397 4.947 4.550 0.000 0.000 0.254 773 Y C -0.084 175.766 175.900 -0.083 0.000 1.110 773 Y CA -0.746 57.298 58.100 -0.093 0.000 1.238 773 Y CB -0.475 37.904 38.460 -0.135 0.000 1.322 773 Y HN -0.104 nan 8.280 nan 0.000 0.547 774 N N 0.667 119.375 118.700 0.013 0.000 2.782 774 N HA -0.190 4.550 4.740 0.000 0.000 0.251 774 N C -0.717 174.788 175.510 -0.008 0.000 1.101 774 N CA 0.339 53.398 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 0.260 nan 8.380 nan 0.000 0.561 775 I N -0.195 120.343 120.570 -0.053 0.000 2.353 775 I HA 0.416 4.586 4.170 0.000 0.000 0.293 775 I C 1.394 177.368 176.117 -0.238 0.000 0.992 775 I CA 0.366 61.566 61.300 -0.168 0.000 1.268 775 I CB 1.583 39.398 38.000 -0.308 0.000 1.387 775 I HN 0.271 nan 8.210 nan 0.000 0.478 776 G N 3.950 112.526 108.800 -0.374 0.000 3.819 776 G HA2 -0.183 3.777 3.960 0.000 0.000 0.210 776 G HA3 -0.183 3.777 3.960 0.000 0.000 0.210 776 G C 0.395 174.913 174.900 -0.636 0.000 1.018 776 G CA -0.246 44.464 45.100 -0.650 0.000 0.882 776 G HN 0.461 nan 8.290 nan 0.000 0.377 777 Y N 1.347 121.535 120.300 -0.187 0.000 2.544 777 Y HA 0.381 4.931 4.550 0.000 0.000 0.286 777 Y C 2.085 177.916 175.900 -0.116 0.000 1.141 777 Y CA 1.090 59.111 58.100 -0.131 0.000 1.299 777 Y CB 0.527 38.948 38.460 -0.065 0.000 1.030 777 Y HN 0.250 nan 8.280 nan 0.000 0.543 778 Q N -0.060 119.746 119.800 0.011 0.000 2.333 778 Q HA 0.437 4.777 4.340 0.000 0.000 0.365 778 Q C -0.076 175.942 176.000 0.029 0.000 0.882 778 Q CA -0.112 55.710 55.803 0.032 0.000 1.124 778 Q CB 1.064 29.848 28.738 0.076 0.000 1.345 778 Q HN 0.358 nan 8.270 nan 0.000 0.409 779 G N 0.509 109.244 108.800 -0.109 0.000 2.675 779 G HA2 -0.172 3.788 3.960 0.000 0.000 0.686 779 G HA3 -0.172 3.788 3.960 0.000 0.000 0.686 779 G C -1.206 173.610 174.900 -0.140 0.000 1.215 779 G CA -1.053 44.008 45.100 -0.064 0.000 0.777 779 G HN 0.130 nan 8.290 nan 0.000 0.638 780 F N 1.423 121.434 119.950 0.102 0.000 2.436 780 F HA 0.826 5.353 4.527 0.000 0.000 0.340 780 F C 0.669 176.503 175.800 0.056 0.000 1.113 780 F CA -0.432 57.561 58.000 -0.012 0.000 1.022 780 F CB 1.593 40.676 39.000 0.140 0.000 1.128 780 F HN 0.736 nan 8.300 nan 0.000 0.466 781 Y N 0.103 120.497 120.300 0.156 0.000 2.656 781 Y HA 0.619 5.169 4.550 0.000 0.000 0.334 781 Y C -1.046 174.730 175.900 -0.208 0.000 1.179 781 Y CA -2.092 56.006 58.100 -0.004 0.000 1.050 781 Y CB 0.480 38.922 38.460 -0.030 0.000 1.308 781 Y HN 0.341 nan 8.280 nan 0.000 0.456 782 I N 4.771 125.258 120.570 -0.137 0.000 2.668 782 I HA 0.127 4.297 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 -1.435 59.540 61.300 -0.542 0.000 1.424 782 I CB 0.509 38.319 38.000 -0.318 0.000 1.377 782 I HN 0.417 nan 8.210 nan 0.000 0.560 783 P HA 0.105 nan 4.420 nan 0.000 0.272 783 P C -0.704 176.362 177.300 -0.389 0.000 1.230 783 P CA -0.400 62.331 63.100 -0.616 0.000 0.788 783 P CB 0.569 31.498 31.700 -1.285 0.000 0.949 784 E N 0.344 120.356 120.200 -0.314 0.000 2.384 784 E HA 0.028 4.378 4.350 0.000 0.000 0.266 784 E C 1.335 177.738 176.600 -0.329 0.000 1.012 784 E CA -0.013 56.215 56.400 -0.287 0.000 0.901 784 E CB 0.163 29.634 29.700 -0.381 0.000 0.967 784 E HN 0.301 nan 8.360 nan 0.000 0.435 785 S N 2.314 117.938 115.700 -0.126 0.000 2.381 785 S HA -0.296 4.174 4.470 0.000 0.000 0.230 785 S C 1.777 176.368 174.600 -0.015 0.000 1.052 785 S CA 1.998 60.175 58.200 -0.038 0.000 1.068 785 S CB -0.523 62.703 63.200 0.043 0.000 0.918 785 S HN 0.694 nan 8.310 nan 0.000 0.448 786 Y N 1.153 121.464 120.300 0.019 0.000 2.497 786 Y HA 0.161 4.711 4.550 0.000 0.000 0.292 786 Y C 1.651 177.588 175.900 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 -0.346 119.828 120.400 -0.377 0.000 2.352 787 K HA 0.006 4.326 4.320 0.000 0.000 0.194 787 K C -0.133 176.539 176.600 0.121 0.000 1.038 787 K CA 0.545 56.758 56.287 -0.124 0.000 1.023 787 K CB 0.254 32.631 32.500 -0.206 0.000 0.840 787 K HN 0.118 nan 8.250 nan 0.000 0.519 788 D N 2.125 122.551 120.400 0.043 0.000 2.638 788 D HA 0.046 4.686 4.640 0.000 0.000 0.245 788 D C -0.052 176.318 176.300 0.117 0.000 1.176 788 D CA -0.258 53.835 54.000 0.156 0.000 0.996 788 D CB 0.232 41.033 40.800 0.002 0.000 1.012 788 D HN -0.092 nan 8.370 nan 0.000 0.515 789 R N 1.105 121.680 120.500 0.125 0.000 2.828 789 R HA 0.118 4.458 4.340 0.000 0.000 0.270 789 R C 1.543 177.850 176.300 0.012 0.000 1.244 789 R CA -0.498 55.639 56.100 0.063 0.000 1.143 789 R CB -0.329 30.017 30.300 0.078 0.000 1.128 789 R HN 0.342 nan 8.270 nan 0.000 0.587 790 M N 0.067 119.602 119.600 -0.108 0.000 2.159 790 M HA -0.127 4.353 4.480 0.000 0.000 0.263 790 M C 0.424 176.558 176.300 -0.277 0.000 1.063 790 M CA 1.849 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 -0.166 120.173 120.300 0.064 0.000 2.571 791 Y HA 0.335 4.885 4.550 0.000 0.000 0.275 791 Y C 0.739 176.689 175.900 0.083 0.000 1.179 791 Y CA -0.575 57.572 58.100 0.079 0.000 1.242 791 Y CB -0.357 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 0.213 116.031 115.700 0.197 0.000 2.632 792 S HA 0.062 4.532 4.470 0.000 0.000 0.267 792 S C 0.953 175.698 174.600 0.242 0.000 1.276 792 S CA -0.664 57.657 58.200 0.202 0.000 0.998 792 S CB 0.612 63.968 63.200 0.260 0.000 0.953 792 S HN 0.374 nan 8.310 nan 0.000 0.547 793 F N 1.608 121.628 119.950 0.116 0.000 2.031 793 F HA -0.079 4.448 4.527 0.000 0.000 0.295 793 F C 1.828 177.782 175.800 0.258 0.000 1.133 793 F CA 1.375 59.454 58.000 0.131 0.000 1.188 793 F CB -0.769 38.247 39.000 0.027 0.000 0.974 793 F HN 0.647 nan 8.300 nan 0.000 0.473 794 F N 1.413 121.208 119.950 -0.259 0.000 2.065 794 F HA -0.232 4.295 4.527 0.000 0.000 0.298 794 F C 2.744 178.470 175.800 -0.124 0.000 1.112 794 F CA 2.316 60.106 58.000 -0.349 0.000 1.212 794 F CB -0.670 38.238 39.000 -0.153 0.000 0.975 794 F HN 0.018 nan 8.300 nan 0.000 0.476 795 R N 0.890 121.437 120.500 0.078 0.000 2.154 795 R HA -0.192 4.148 4.340 0.000 0.000 0.248 795 R C 1.316 177.570 176.300 -0.076 0.000 1.155 795 R CA 2.221 58.329 56.100 0.013 0.000 0.979 795 R CB -0.713 29.633 30.300 0.077 0.000 0.869 795 R HN 0.355 nan 8.270 nan 0.000 0.452 796 N N -0.794 117.878 118.700 -0.046 0.000 2.205 796 N HA -0.029 4.711 4.740 0.000 0.000 0.201 796 N C -0.768 174.764 175.510 0.037 0.000 1.128 796 N CA -0.087 52.973 53.050 0.016 0.000 0.867 796 N CB 0.263 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 3.089 122.845 119.950 -0.324 0.000 2.471 797 F HA 0.175 4.702 4.527 0.000 0.000 0.365 797 F C -0.031 175.651 175.800 -0.196 0.000 1.095 797 F CA -0.248 57.577 58.000 -0.291 0.000 1.174 797 F CB 0.530 39.129 39.000 -0.670 0.000 1.105 797 F HN -0.170 nan 8.300 nan 0.000 0.535 798 Q N 8.915 128.465 119.800 -0.417 0.000 2.674 798 Q HA 0.279 4.619 4.340 0.000 0.000 0.249 798 Q C -2.643 173.106 176.000 -0.419 0.000 1.011 798 Q CA -1.931 53.624 55.803 -0.413 0.000 0.734 798 Q CB 1.446 30.087 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 -0.517 176.716 177.300 -0.112 0.000 1.227 799 P CA -0.107 62.801 63.100 -0.320 0.000 0.781 799 P CB 1.074 32.546 31.700 -0.381 0.000 0.906 800 M N 1.126 120.737 119.600 0.018 0.000 2.531 800 M HA 0.440 4.920 4.480 0.000 0.000 0.286 800 M C -0.460 176.044 176.300 0.339 0.000 1.232 800 M CA -0.364 55.013 55.300 0.127 0.000 0.877 800 M CB 2.713 35.323 32.600 0.016 0.000 1.726 800 M HN 0.196 nan 8.290 nan 0.000 0.463 801 S N 0.526 116.472 115.700 0.411 0.000 2.579 801 S HA 0.874 5.344 4.470 0.000 0.000 0.272 801 S C -1.477 173.173 174.600 0.083 0.000 1.141 801 S CA -0.955 57.427 58.200 0.303 0.000 0.843 801 S CB 2.733 66.011 63.200 0.130 0.000 1.122 801 S HN 0.792 nan 8.310 nan 0.000 0.468 802 R N 0.609 120.951 120.500 -0.263 0.000 2.728 802 R HA 0.695 5.035 4.340 0.000 0.000 0.274 802 R C -2.118 173.965 176.300 -0.361 0.000 1.030 802 R CA -0.957 54.876 56.100 -0.445 0.000 0.876 802 R CB 0.740 30.426 30.300 -1.023 0.000 1.259 802 R HN 0.417 nan 8.270 nan 0.000 0.468 803 Q N 0.221 119.851 119.800 -0.283 0.000 2.351 803 Q HA 0.715 5.055 4.340 0.000 0.000 0.273 803 Q C -1.177 174.696 176.000 -0.211 0.000 1.077 803 Q CA -0.680 55.000 55.803 -0.205 0.000 0.843 803 Q CB 2.895 31.551 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 -0.365 175.659 176.094 -0.118 0.000 1.238 804 V CA -1.412 60.812 62.300 -0.127 0.000 1.008 804 V CB 1.222 32.978 31.823 -0.112 0.000 1.064 804 V HN 0.650 nan 8.190 nan 0.000 0.434 805 V N -0.441 119.412 119.914 -0.102 0.000 2.720 805 V HA 0.194 4.314 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 0.442 62.633 62.300 -0.180 0.000 1.199 805 V CB 0.268 31.975 31.823 -0.193 0.000 0.900 805 V HN 1.055 nan 8.190 nan 0.000 0.494 806 D N 4.317 124.606 120.400 -0.186 0.000 2.374 806 D HA 0.043 4.683 4.640 0.000 0.000 0.240 806 D C 1.102 177.256 176.300 -0.243 0.000 1.229 806 D CA -0.067 53.834 54.000 -0.164 0.000 0.895 806 D CB 0.965 41.705 40.800 -0.100 0.000 1.046 806 D HN 0.863 nan 8.370 nan 0.000 0.498 807 D N 1.567 121.713 120.400 -0.423 0.000 2.384 807 D HA -0.160 4.480 4.640 0.000 0.000 0.222 807 D C 1.166 177.237 176.300 -0.383 0.000 0.976 807 D CA 0.632 54.144 54.000 -0.813 0.000 0.915 807 D CB -0.071 40.142 40.800 -0.978 0.000 0.896 807 D HN 0.414 nan 8.370 nan 0.000 0.523 808 T N -3.535 110.905 114.554 -0.190 0.000 3.044 808 T HA 0.254 4.604 4.350 0.000 0.000 0.260 808 T C 1.396 176.069 174.700 -0.045 0.000 1.019 808 T CA -0.408 61.638 62.100 -0.090 0.000 0.921 808 T CB 0.356 69.185 68.868 -0.066 0.000 1.053 808 T HN 0.023 nan 8.240 nan 0.000 0.533 809 K N -0.495 119.885 120.400 -0.032 0.000 2.502 809 K HA 0.221 4.541 4.320 0.000 0.000 0.211 809 K C -0.654 175.982 176.600 0.059 0.000 1.259 809 K CA -0.401 55.888 56.287 0.004 0.000 0.983 809 K CB 0.710 33.208 32.500 -0.003 0.000 1.054 809 K HN 0.300 nan 8.250 nan 0.000 0.572 810 Y N 3.435 123.684 120.300 -0.086 0.000 2.556 810 Y HA 0.103 4.653 4.550 0.000 0.000 0.352 810 Y C 0.843 176.736 175.900 -0.011 0.000 1.006 810 Y CA -0.596 57.463 58.100 -0.068 0.000 1.277 810 Y CB 0.268 38.652 38.460 -0.125 0.000 1.136 810 Y HN -0.102 nan 8.280 nan 0.000 0.523 811 K N 2.293 122.519 120.400 -0.289 0.000 2.077 811 K HA -0.223 4.097 4.320 0.000 0.000 0.213 811 K C 0.578 176.933 176.600 -0.409 0.000 1.051 811 K CA 2.153 58.267 56.287 -0.288 0.000 0.929 811 K CB 0.077 32.456 32.500 -0.202 0.000 0.715 811 K HN 0.689 nan 8.250 nan 0.000 0.451 812 D N -0.230 119.668 120.400 -0.836 0.000 2.319 812 D HA -0.060 4.580 4.640 0.000 0.000 0.230 812 D C -0.039 176.054 176.300 -0.345 0.000 1.094 812 D CA 0.026 53.692 54.000 -0.556 0.000 0.856 812 D CB -0.321 40.213 40.800 -0.444 0.000 0.915 812 D HN 0.139 nan 8.370 nan 0.000 0.517 813 Y N 2.350 122.402 120.300 -0.412 0.000 2.811 813 Y HA -0.059 4.491 4.550 0.000 0.000 0.334 813 Y C 0.096 176.056 175.900 0.100 0.000 1.247 813 Y CA 0.526 58.627 58.100 0.002 0.000 1.526 813 Y CB 0.356 38.844 38.460 0.046 0.000 1.284 813 Y HN -0.154 nan 8.280 nan 0.000 0.586 814 Q N 5.784 125.219 119.800 -0.609 0.000 2.263 814 Q HA 0.148 4.488 4.340 0.000 0.000 0.266 814 Q C -1.341 174.261 176.000 -0.663 0.000 1.002 814 Q CA -0.706 54.826 55.803 -0.453 0.000 0.790 814 Q CB 2.006 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 2.406 121.915 119.800 -0.485 0.000 2.323 815 Q HA 0.418 4.758 4.340 0.000 0.000 0.257 815 Q C -1.059 174.909 176.000 -0.052 0.000 1.022 815 Q CA -0.164 55.536 55.803 -0.172 0.000 0.919 815 Q CB 0.666 29.451 28.738 0.077 0.000 1.220 815 Q HN 0.360 nan 8.270 nan 0.000 0.427 816 V N 3.643 123.544 119.914 -0.020 0.000 2.487 816 V HA 0.591 4.711 4.120 0.000 0.000 0.298 816 V C 0.550 176.600 176.094 -0.074 0.000 1.028 816 V CA -0.726 61.552 62.300 -0.036 0.000 0.860 816 V CB 1.569 33.347 31.823 -0.074 0.000 0.991 816 V HN 0.859 nan 8.190 nan 0.000 0.427 817 G N 2.275 111.064 108.800 -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 -0.535 44.533 45.100 -0.053 0.000 0.960 817 G HN 0.741 nan 8.290 nan 0.000 0.497 818 I N -0.537 119.955 120.570 -0.131 0.000 2.236 818 I HA -0.218 3.952 4.170 0.000 0.000 0.249 818 I C 2.488 178.530 176.117 -0.125 0.000 1.102 818 I CA 1.097 62.315 61.300 -0.136 0.000 1.365 818 I CB -0.989 36.952 38.000 -0.097 0.000 1.051 818 I HN 0.364 nan 8.210 nan 0.000 0.420 819 L N -0.261 120.858 121.223 -0.174 0.000 2.129 819 L HA -0.246 4.094 4.340 0.000 0.000 0.212 819 L C 1.687 178.298 176.870 -0.431 0.000 1.087 819 L CA 1.812 56.465 54.840 -0.311 0.000 0.757 819 L CB -0.711 41.088 42.059 -0.434 0.000 0.896 819 L HN 0.467 nan 8.230 nan 0.000 0.434 820 H N -2.592 116.496 119.070 0.029 0.000 2.785 820 H HA 0.232 4.788 4.556 0.000 0.000 0.268 820 H C -0.124 175.193 175.328 -0.017 0.000 1.153 820 H CA -0.359 55.706 56.048 0.029 0.000 1.111 820 H CB 0.387 30.149 29.762 -0.001 0.000 1.633 820 H HN 0.294 nan 8.280 nan 0.000 0.576 821 Q N 1.369 121.161 119.800 -0.013 0.000 2.243 821 Q HA 0.298 4.638 4.340 0.000 0.000 0.252 821 Q C -0.654 175.373 176.000 0.045 0.000 0.909 821 Q CA -0.666 55.065 55.803 -0.120 0.000 0.922 821 Q CB 1.154 29.685 28.738 -0.346 0.000 1.215 821 Q HN 0.528 nan 8.270 nan 0.000 0.427 822 H N -0.348 118.762 119.070 0.068 0.000 2.840 822 H HA 0.565 5.121 4.556 0.000 0.000 0.340 822 H C -1.462 173.923 175.328 0.094 0.000 1.004 822 H CA -0.953 55.148 56.048 0.090 0.000 1.288 822 H CB 1.089 30.889 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 -0.742 174.935 175.510 0.278 0.000 1.107 823 N CA -0.377 52.777 53.050 0.173 0.000 0.904 823 N CB 0.909 39.351 38.487 -0.075 0.000 1.500 823 N HN 0.869 nan 8.380 nan 0.000 0.510 824 N N 0.222 119.098 118.700 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 1.043 54.328 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 -0.886 114.943 115.700 0.216 0.000 2.552 825 S HA 0.395 4.865 4.470 0.000 0.000 0.289 825 S C 1.628 176.107 174.600 -0.202 0.000 1.304 825 S CA 0.982 59.204 58.200 0.037 0.000 1.063 825 S CB 1.536 64.728 63.200 -0.013 0.000 0.848 825 S HN 1.028 nan 8.310 nan 0.000 0.499 826 G N 1.976 110.599 108.800 -0.295 0.000 2.268 826 G HA2 -0.257 3.703 3.960 0.000 0.000 0.240 826 G HA3 -0.257 3.703 3.960 0.000 0.000 0.240 826 G C 0.242 174.751 174.900 -0.652 0.000 1.010 826 G CA 0.370 45.131 45.100 -0.564 0.000 0.618 826 G HN 0.778 nan 8.290 nan 0.000 0.516 827 F N 0.541 120.499 119.950 0.014 0.000 2.706 827 F HA 0.610 5.137 4.527 0.000 0.000 0.308 827 F C 0.988 176.789 175.800 0.002 0.000 1.095 827 F CA -0.192 57.814 58.000 0.009 0.000 1.244 827 F CB 0.843 39.857 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 0.766 4.886 4.120 0.000 0.000 0.314 828 V C 0.523 176.629 176.094 0.020 0.000 1.138 828 V CA -1.220 61.122 62.300 0.070 0.000 1.034 828 V CB 1.505 33.387 31.823 0.099 0.000 1.075 828 V HN 0.078 nan 8.190 nan 0.000 0.442 829 G N -0.577 108.216 108.800 -0.011 0.000 2.599 829 G HA2 0.365 4.325 3.960 0.000 0.000 0.264 829 G HA3 0.365 4.325 3.960 0.000 0.000 0.264 829 G C -1.244 173.693 174.900 0.062 0.000 1.200 829 G CA -0.147 44.943 45.100 -0.018 0.000 0.896 829 G HN 0.684 nan 8.290 nan 0.000 0.536 830 Y N 1.011 121.264 120.300 -0.079 0.000 2.367 830 Y HA 0.365 4.915 4.550 0.000 0.000 0.342 830 Y C 1.051 176.929 175.900 -0.037 0.000 0.979 830 Y CA -0.963 57.102 58.100 -0.060 0.000 1.161 830 Y CB 0.337 38.749 38.460 -0.079 0.000 1.155 830 Y HN 0.463 nan 8.280 nan 0.000 0.503 831 L N 4.200 125.188 121.223 -0.392 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 0.789 55.417 54.840 -0.353 0.000 0.968 831 L CB -2.054 39.587 42.059 -0.696 0.000 1.933 831 L HN 0.720 nan 8.230 nan 0.000 0.976 832 A N -1.244 121.536 122.820 -0.067 0.000 2.601 832 A HA 0.727 5.047 4.320 0.000 0.000 0.291 832 A C -2.466 175.040 177.584 -0.131 0.000 1.075 832 A CA -0.637 51.373 52.037 -0.046 0.000 0.671 832 A CB 1.211 20.209 19.000 -0.003 0.000 1.277 832 A HN -0.085 nan 8.150 nan 0.000 0.417 833 P HA 0.134 nan 4.420 nan 0.000 0.243 833 P C 0.344 177.513 177.300 -0.219 0.000 1.668 833 P CA 0.493 63.394 63.100 -0.332 0.000 0.898 833 P CB -0.580 30.831 31.700 -0.481 0.000 1.637 834 T N -3.986 110.472 114.554 -0.161 0.000 2.892 834 T HA 0.410 4.760 4.350 0.000 0.000 0.280 834 T C 0.599 175.211 174.700 -0.146 0.000 1.004 834 T CA -1.107 60.902 62.100 -0.152 0.000 0.950 834 T CB 0.484 69.255 68.868 -0.162 0.000 1.309 834 T HN -0.010 nan 8.240 nan 0.000 0.592 835 M N 1.808 121.313 119.600 -0.158 0.000 2.245 835 M HA 0.109 4.589 4.480 0.000 0.000 0.335 835 M C 0.338 176.573 176.300 -0.108 0.000 1.155 835 M CA -0.489 54.732 55.300 -0.131 0.000 1.055 835 M CB 0.418 32.928 32.600 -0.149 0.000 1.670 835 M HN 0.770 nan 8.290 nan 0.000 0.447 836 R N 3.568 124.025 120.500 -0.072 0.000 2.756 836 R HA 0.219 4.559 4.340 0.000 0.000 0.264 836 R C -0.743 175.505 176.300 -0.087 0.000 1.026 836 R CA 0.054 56.121 56.100 -0.054 0.000 1.121 836 R CB 0.034 30.325 30.300 -0.014 0.000 0.999 836 R HN 0.747 nan 8.270 nan 0.000 0.449 837 E N -0.360 119.781 120.200 -0.098 0.000 2.437 837 E HA 0.583 4.933 4.350 0.000 0.000 0.280 837 E C -0.434 176.070 176.600 -0.160 0.000 1.044 837 E CA -1.064 55.261 56.400 -0.125 0.000 0.826 837 E CB 0.987 30.619 29.700 -0.114 0.000 1.358 837 E HN 0.895 nan 8.360 nan 0.000 0.459 838 G N 0.555 109.245 108.800 -0.184 0.000 2.548 838 G HA2 -0.028 3.932 3.960 0.000 0.000 0.208 838 G HA3 -0.028 3.932 3.960 0.000 0.000 0.208 838 G C -1.148 173.603 174.900 -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 -0.992 118.647 119.800 -0.269 0.000 2.416 839 Q HA 0.783 5.123 4.340 0.000 0.000 0.281 839 Q C -0.053 175.807 176.000 -0.234 0.000 1.067 839 Q CA -0.371 55.281 55.803 -0.252 0.000 0.809 839 Q CB 1.905 30.525 28.738 -0.196 0.000 1.418 839 Q HN 2.223 nan 8.270 nan 0.000 0.411 840 A N 1.612 124.310 122.820 -0.203 0.000 2.507 840 A HA 0.457 4.777 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 0.471 52.493 52.037 -0.024 0.000 0.768 840 A CB 0.047 19.118 19.000 0.119 0.000 1.011 840 A HN 0.671 nan 8.150 nan 0.000 0.502 841 Y N 0.316 120.622 120.300 0.010 0.000 2.643 841 Y HA 0.332 4.882 4.550 0.000 0.000 0.347 841 Y C -2.446 173.502 175.900 0.079 0.000 1.208 841 Y CA -1.326 56.773 58.100 -0.002 0.000 1.245 841 Y CB 1.291 39.675 38.460 -0.126 0.000 1.369 841 Y HN 0.663 nan 8.280 nan 0.000 0.487 842 P HA 0.301 nan 4.420 nan 0.000 0.264 842 P C -0.664 176.748 177.300 0.188 0.000 1.183 842 P CA 0.138 63.227 63.100 -0.018 0.000 0.763 842 P CB 0.707 32.318 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 0.156 4.476 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 -0.320 51.771 52.037 0.090 0.000 0.789 843 A CB -0.127 18.861 19.000 -0.019 0.000 1.025 843 A HN 0.719 nan 8.150 nan 0.000 0.490 844 N N -0.252 118.293 118.700 -0.259 0.000 2.177 844 N HA 0.230 4.970 4.740 0.000 0.000 0.218 844 N C -0.760 174.635 175.510 -0.192 0.000 1.182 844 N CA -0.075 52.815 53.050 -0.267 0.000 0.882 844 N CB 0.311 38.534 38.487 -0.440 0.000 1.052 844 N HN 0.418 nan 8.380 nan 0.000 0.519 845 F N 0.942 120.662 119.950 -0.384 0.000 2.650 845 F HA 0.601 5.128 4.527 0.000 0.000 0.310 845 F C -2.884 172.645 175.800 -0.452 0.000 1.112 845 F CA -1.477 56.287 58.000 -0.393 0.000 0.986 845 F CB 2.156 40.978 39.000 -0.297 0.000 1.285 845 F HN -0.198 nan 8.300 nan 0.000 0.440 846 P HA 0.279 nan 4.420 nan 0.000 0.287 846 P C -1.425 175.492 177.300 -0.638 0.000 1.296 846 P CA -0.318 61.969 63.100 -1.355 0.000 0.811 846 P CB 1.256 32.255 31.700 -1.169 0.000 1.211 847 Y N -0.177 119.890 120.300 -0.389 0.000 2.411 847 Y HA 0.200 4.750 4.550 0.000 0.000 0.333 847 Y C -1.442 174.335 175.900 -0.205 0.000 1.186 847 Y CA -1.262 56.711 58.100 -0.211 0.000 1.381 847 Y CB -0.992 37.372 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 0.174 63.253 63.100 -0.035 0.000 0.768 848 P CB 0.581 32.269 31.700 -0.020 0.000 0.856 849 L N 3.335 124.518 121.223 -0.067 0.000 2.640 849 L HA 0.299 4.639 4.340 0.000 0.000 0.230 849 L C 0.935 177.766 176.870 -0.065 0.000 1.123 849 L CA 0.096 54.887 54.840 -0.082 0.000 0.900 849 L CB -0.128 41.881 42.059 -0.082 0.000 1.146 849 L HN 0.387 nan 8.230 nan 0.000 0.484 850 I N -4.052 116.489 120.570 -0.050 0.000 3.042 850 I HA 0.895 5.065 4.170 0.000 0.000 0.310 850 I C 0.424 176.523 176.117 -0.029 0.000 1.117 850 I CA -0.635 60.643 61.300 -0.037 0.000 1.003 850 I CB 1.785 39.769 38.000 -0.028 0.000 1.228 850 I HN 0.045 nan 8.210 nan 0.000 0.443 851 G N 3.259 112.045 108.800 -0.023 0.000 2.693 851 G HA2 -0.230 3.730 3.960 0.000 0.000 0.226 851 G HA3 -0.230 3.730 3.960 0.000 0.000 0.226 851 G C 0.156 175.047 174.900 -0.014 0.000 1.354 851 G CA 0.255 45.345 45.100 -0.016 0.000 0.873 851 G HN 0.925 nan 8.290 nan 0.000 0.562 852 K N -0.233 120.162 120.400 -0.007 0.000 2.097 852 K HA -0.095 4.225 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 2.304 58.591 56.287 -0.001 0.000 0.933 852 K CB -0.448 32.054 32.500 0.003 0.000 0.717 852 K HN 0.797 nan 8.250 nan 0.000 0.442 853 T N -0.067 114.488 114.554 0.000 0.000 2.788 853 T HA -0.048 4.302 4.350 0.000 0.000 0.268 853 T C 1.114 175.805 174.700 -0.016 0.000 1.044 853 T CA 0.557 62.660 62.100 0.006 0.000 1.139 853 T CB -0.429 68.441 68.868 0.004 0.000 0.867 853 T HN 0.183 nan 8.240 nan 0.000 0.454 854 A N 2.581 125.378 122.820 -0.037 0.000 2.584 854 A HA 0.437 4.757 4.320 0.000 0.000 0.239 854 A C 0.737 178.248 177.584 -0.122 0.000 1.043 854 A CA -0.044 51.947 52.037 -0.077 0.000 0.756 854 A CB -0.416 18.545 19.000 -0.065 0.000 0.963 854 A HN 1.069 nan 8.150 nan 0.000 0.511 855 V N 1.844 121.613 119.914 -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 -0.493 0.000 1.052 855 V CB 0.962 32.241 31.823 -0.908 0.000 1.021 855 V HN 0.788 nan 8.190 nan 0.000 0.480 856 D N 3.591 123.823 120.400 -0.280 0.000 2.487 856 D HA 0.231 4.871 4.640 0.000 0.000 0.243 856 D C 0.408 176.608 176.300 -0.168 0.000 1.154 856 D CA 0.822 54.748 54.000 -0.123 0.000 0.876 856 D CB 0.973 41.772 40.800 -0.001 0.000 1.161 856 D HN 1.014 nan 8.370 nan 0.000 0.478 857 S N 2.029 117.654 115.700 -0.125 0.000 2.677 857 S HA 0.759 5.229 4.470 0.000 0.000 0.304 857 S C -0.264 174.280 174.600 -0.093 0.000 1.108 857 S CA -0.971 57.155 58.200 -0.125 0.000 0.944 857 S CB 2.210 65.336 63.200 -0.122 0.000 1.127 857 S HN 0.472 nan 8.310 nan 0.000 0.511 858 I N 0.456 120.968 120.570 -0.096 0.000 2.730 858 I HA 0.526 4.696 4.170 0.000 0.000 0.298 858 I C -1.076 174.991 176.117 -0.083 0.000 1.089 858 I CA -0.381 60.874 61.300 -0.076 0.000 1.041 858 I CB 2.375 40.333 38.000 -0.071 0.000 1.235 858 I HN 0.773 nan 8.210 nan 0.000 0.423 859 T N 5.626 120.144 114.554 -0.060 0.000 2.867 859 T HA 0.431 4.781 4.350 0.000 0.000 0.282 859 T C -0.907 173.770 174.700 -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 1.876 121.639 119.800 -0.062 0.000 2.337 860 Q HA 0.528 4.868 4.340 0.000 0.000 0.270 860 Q C -0.879 175.225 176.000 0.173 0.000 1.043 860 Q CA -0.793 55.032 55.803 0.037 0.000 0.794 860 Q CB 2.778 31.513 28.738 -0.004 0.000 1.281 860 Q HN 0.404 nan 8.270 nan 0.000 0.446 861 K N 1.982 122.532 120.400 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 1.740 34.355 32.500 0.192 0.000 1.171 861 K HN 0.627 nan 8.250 nan 0.000 0.426 862 K N 0.806 121.352 120.400 0.243 0.000 2.544 862 K HA 0.514 4.834 4.320 0.000 0.000 0.282 862 K C -1.537 175.165 176.600 0.171 0.000 1.020 862 K CA -0.948 55.421 56.287 0.136 0.000 0.830 862 K CB 1.069 33.527 32.500 -0.071 0.000 1.521 862 K HN 0.422 nan 8.250 nan 0.000 0.376 863 F N -1.140 118.818 119.950 0.013 0.000 2.741 863 F HA 0.713 5.240 4.527 0.000 0.000 0.311 863 F C -2.373 173.436 175.800 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 1.908 123.216 121.223 0.141 0.000 2.341 864 L HA 0.748 5.088 4.340 0.000 0.000 0.267 864 L C -0.957 176.187 176.870 0.457 0.000 1.009 864 L CA -0.741 54.130 54.840 0.052 0.000 0.819 864 L CB 2.017 44.009 42.059 -0.112 0.000 1.323 864 L HN 1.020 nan 8.230 nan 0.000 0.425 865 C N 2.093 121.651 119.300 0.430 0.000 3.166 865 C HA 0.342 4.802 4.460 0.000 0.000 0.277 865 C C -0.693 174.465 174.990 0.279 0.000 0.984 865 C CA -0.843 58.431 59.018 0.426 0.000 1.142 865 C CB -0.961 27.162 27.740 0.639 0.000 1.721 865 C HN 0.793 nan 8.230 nan 0.000 0.628 866 D N 1.665 122.246 120.400 0.302 0.000 2.371 866 D HA 0.229 4.869 4.640 0.000 0.000 0.242 866 D C 0.982 177.509 176.300 0.378 0.000 1.218 866 D CA 0.134 54.369 54.000 0.391 0.000 0.945 866 D CB 0.439 41.541 40.800 0.503 0.000 1.137 866 D HN 0.727 nan 8.370 nan 0.000 0.464 867 R N -1.765 119.033 120.500 0.496 0.000 3.484 867 R HA -0.238 4.102 4.340 0.000 0.000 0.260 867 R C -0.667 175.918 176.300 0.476 0.000 1.053 867 R CA 0.963 57.364 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 -0.283 114.450 114.554 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 70.311 68.868 0.068 0.000 1.225 868 T HN 0.269 nan 8.240 nan 0.000 0.515 869 L N 1.895 122.949 121.223 -0.281 0.000 2.346 869 L HA 0.552 4.892 4.340 0.000 0.000 0.276 869 L C -0.616 175.988 176.870 -0.443 0.000 1.006 869 L CA -0.972 53.563 54.840 -0.508 0.000 0.817 869 L CB 1.759 43.545 42.059 -0.455 0.000 1.272 869 L HN 0.717 nan 8.230 nan 0.000 0.421 870 W N 2.774 123.710 121.300 -0.606 0.000 2.181 870 W HA 0.339 4.999 4.660 0.000 0.000 0.335 870 W C 0.244 176.370 176.519 -0.654 0.000 1.310 870 W CA -0.505 56.429 57.345 -0.684 0.000 1.226 870 W CB 0.611 29.313 29.460 -1.262 0.000 1.155 870 W HN 0.287 nan 8.180 nan 0.000 0.565 871 R N 3.187 123.566 120.500 -0.203 0.000 2.628 871 R HA 0.569 4.909 4.340 0.000 0.000 0.288 871 R C -1.047 175.136 176.300 -0.196 0.000 0.980 871 R CA -0.955 55.029 56.100 -0.193 0.000 0.891 871 R CB 1.872 32.038 30.300 -0.223 0.000 1.188 871 R HN 0.435 nan 8.270 nan 0.000 0.450 872 I N 4.201 124.783 120.570 0.021 0.000 2.583 872 I HA 0.264 4.434 4.170 0.000 0.000 0.276 872 I C -2.296 174.045 176.117 0.372 0.000 1.089 872 I CA -2.082 59.282 61.300 0.107 0.000 1.103 872 I CB 2.063 40.100 38.000 0.062 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 -0.479 177.124 177.300 0.507 0.000 1.228 873 P CA -0.256 63.007 63.100 0.271 0.000 0.786 873 P CB 1.010 32.818 31.700 0.180 0.000 0.927 874 F N 2.431 122.372 119.950 -0.016 0.000 2.640 874 F HA 0.297 4.824 4.527 0.000 0.000 0.354 874 F C 0.355 176.204 175.800 0.082 0.000 1.213 874 F CA -0.144 57.836 58.000 -0.033 0.000 1.314 874 F CB -0.595 38.129 39.000 -0.459 0.000 1.679 874 F HN 0.118 nan 8.300 nan 0.000 0.622 875 S N 0.642 116.455 115.700 0.188 0.000 2.538 875 S HA 0.311 4.781 4.470 0.000 0.000 0.288 875 S C 0.970 175.526 174.600 -0.075 0.000 1.108 875 S CA -0.070 58.144 58.200 0.024 0.000 0.971 875 S CB 1.251 64.493 63.200 0.071 0.000 1.041 875 S HN 0.504 nan 8.310 nan 0.000 0.483 876 S N 3.466 119.087 115.700 -0.131 0.000 2.420 876 S HA -0.182 4.288 4.470 0.000 0.000 0.237 876 S C 0.922 175.329 174.600 -0.322 0.000 1.023 876 S CA 1.794 59.873 58.200 -0.200 0.000 0.991 876 S CB -0.629 62.489 63.200 -0.136 0.000 0.792 876 S HN 0.869 nan 8.310 nan 0.000 0.488 877 N N -0.558 118.004 118.700 -0.231 0.000 2.197 877 N HA 0.245 4.985 4.740 0.000 0.000 0.228 877 N C 0.267 175.805 175.510 0.046 0.000 1.212 877 N CA -0.380 52.583 53.050 -0.145 0.000 0.883 877 N CB -0.966 37.498 38.487 -0.039 0.000 1.107 877 N HN 0.428 nan 8.380 nan 0.000 0.519 878 F N -1.241 118.789 119.950 0.134 0.000 2.825 878 F HA -0.307 4.220 4.527 0.000 0.000 0.358 878 F C 0.455 176.283 175.800 0.048 0.000 0.639 878 F CA 0.527 58.590 58.000 0.104 0.000 1.153 878 F CB -1.459 37.582 39.000 0.069 0.000 1.610 878 F HN 0.082 nan 8.300 nan 0.000 0.305 879 M N 0.080 119.801 119.600 0.202 0.000 2.283 879 M HA 0.303 4.783 4.480 0.000 0.000 0.314 879 M C 0.605 176.945 176.300 0.067 0.000 1.153 879 M CA 0.008 55.382 55.300 0.124 0.000 1.084 879 M CB 0.930 33.612 32.600 0.137 0.000 1.468 879 M HN -0.089 nan 8.290 nan 0.000 0.474 880 S N 2.198 117.919 115.700 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 0.652 nan 8.310 nan 0.000 0.485 881 M N 2.389 121.999 119.600 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 -0.202 55.108 55.300 0.017 0.000 0.938 881 M CB 0.978 33.585 32.600 0.012 0.000 1.460 881 M HN 0.817 nan 8.290 nan 0.000 0.535 882 G N -0.172 108.638 108.800 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 0.096 175.017 174.900 0.036 0.000 1.603 882 G CA -0.498 44.618 45.100 0.026 0.000 0.961 882 G HN 0.098 nan 8.290 nan 0.000 0.686 883 A N 0.446 123.301 122.820 0.059 0.000 1.892 883 A HA 0.106 4.426 4.320 0.000 0.000 0.218 883 A C 1.646 179.365 177.584 0.224 0.000 1.188 883 A CA 2.167 54.255 52.037 0.086 0.000 0.631 883 A CB -0.307 18.791 19.000 0.163 0.000 0.822 883 A HN 1.796 nan 8.150 nan 0.000 0.447 884 L N 2.283 123.677 121.223 0.285 0.000 2.334 884 L HA 0.293 4.633 4.340 0.000 0.000 0.286 884 L C 0.903 177.841 176.870 0.114 0.000 1.108 884 L CA 0.314 55.306 54.840 0.253 0.000 0.875 884 L CB -0.427 41.675 42.059 0.072 0.000 1.246 884 L HN 0.433 nan 8.230 nan 0.000 0.439 885 T N 0.024 114.636 114.554 0.095 0.000 2.795 885 T HA 0.048 4.398 4.350 0.000 0.000 0.314 885 T C 1.108 175.816 174.700 0.013 0.000 1.069 885 T CA 0.186 62.306 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 0.693 nan 8.240 nan 0.000 0.543 886 D N 1.228 121.616 120.400 -0.020 0.000 2.117 886 D HA -0.123 4.517 4.640 0.000 0.000 0.198 886 D C 2.073 178.343 176.300 -0.051 0.000 0.982 886 D CA 1.108 55.091 54.000 -0.028 0.000 0.828 886 D CB -0.606 40.172 40.800 -0.036 0.000 0.967 886 D HN 0.567 nan 8.370 nan 0.000 0.464 887 L N 0.392 121.523 121.223 -0.153 0.000 2.141 887 L HA 0.066 4.406 4.340 0.000 0.000 0.209 887 L C 2.673 179.404 176.870 -0.231 0.000 1.094 887 L CA 1.187 55.844 54.840 -0.305 0.000 0.763 887 L CB -0.680 40.827 42.059 -0.921 0.000 0.908 887 L HN 0.200 nan 8.230 nan 0.000 0.437 888 G N 0.004 108.777 108.800 -0.044 0.000 2.470 888 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 888 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 888 G C 1.242 176.199 174.900 0.096 0.000 1.121 888 G CA 0.411 45.569 45.100 0.095 0.000 0.766 888 G HN 0.594 nan 8.290 nan 0.000 0.553 889 Q N -0.328 119.514 119.800 0.070 0.000 2.179 889 Q HA 0.188 4.528 4.340 0.000 0.000 0.213 889 Q C 0.178 176.243 176.000 0.108 0.000 0.833 889 Q CA -0.496 55.355 55.803 0.080 0.000 0.990 889 Q CB 0.145 28.908 28.738 0.041 0.000 1.132 889 Q HN 0.368 nan 8.270 nan 0.000 0.493 890 N N 1.081 119.882 118.700 0.169 0.000 2.497 890 N HA 0.060 4.800 4.740 0.000 0.000 0.268 890 N C 0.730 176.359 175.510 0.199 0.000 1.171 890 N CA -0.097 53.073 53.050 0.199 0.000 0.948 890 N CB 0.659 39.338 38.487 0.320 0.000 1.069 890 N HN 0.159 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 0.075 0.000 1.097 891 L CA 0.563 55.455 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 2.335 179.130 176.870 -0.124 0.000 1.076 892 L CA 1.954 56.734 54.840 -0.099 0.000 0.749 892 L CB -0.646 41.239 42.059 -0.291 0.000 0.893 892 L HN 0.106 nan 8.230 nan 0.000 0.432 893 Y N -0.435 119.874 120.300 0.015 0.000 2.153 893 Y HA 0.003 4.553 4.550 0.000 0.000 0.289 893 Y C 2.593 178.584 175.900 0.151 0.000 1.127 893 Y CA 1.362 59.498 58.100 0.060 0.000 1.131 893 Y CB -1.071 37.464 38.460 0.125 0.000 0.995 893 Y HN 0.258 nan 8.280 nan 0.000 0.505 894 A N 0.605 123.595 122.820 0.283 0.000 1.898 894 A HA -0.193 4.127 4.320 0.000 0.000 0.216 894 A C 1.921 179.587 177.584 0.137 0.000 1.181 894 A CA 1.926 54.074 52.037 0.186 0.000 0.620 894 A CB -0.714 18.369 19.000 0.138 0.000 0.819 894 A HN 0.438 nan 8.150 nan 0.000 0.442 895 N N 0.458 119.230 118.700 0.120 0.000 2.120 895 N HA -0.055 4.685 4.740 0.000 0.000 0.188 895 N C 0.673 176.235 175.510 0.087 0.000 1.024 895 N CA 1.332 54.433 53.050 0.085 0.000 0.852 895 N CB -0.284 38.242 38.487 0.065 0.000 1.003 895 N HN 0.581 nan 8.380 nan 0.000 0.424 896 S N -1.018 114.762 115.700 0.132 0.000 2.536 896 S HA 0.792 5.262 4.470 0.000 0.000 0.287 896 S C -0.505 174.202 174.600 0.177 0.000 1.101 896 S CA -1.100 57.158 58.200 0.097 0.000 0.950 896 S CB 2.602 65.814 63.200 0.020 0.000 1.056 896 S HN 0.286 nan 8.310 nan 0.000 0.481 897 A N 1.903 124.769 122.820 0.077 0.000 2.445 897 A HA 0.608 4.928 4.320 0.000 0.000 0.242 897 A C -0.367 177.252 177.584 0.059 0.000 1.075 897 A CA 0.078 52.198 52.037 0.139 0.000 0.777 897 A CB -0.301 18.728 19.000 0.049 0.000 1.013 897 A HN 0.940 nan 8.150 nan 0.000 0.493 898 H N -0.947 118.315 119.070 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 0.436 0.000 1.174 898 H CA 0.420 56.658 56.048 0.318 0.000 1.144 898 H CB 1.960 31.874 29.762 0.253 0.000 1.793 898 H HN 0.944 nan 8.280 nan 0.000 0.551 899 A N 1.704 124.759 122.820 0.392 0.000 2.312 899 A HA 0.639 4.959 4.320 0.000 0.000 0.328 899 A C -1.288 176.431 177.584 0.224 0.000 1.158 899 A CA -0.522 51.694 52.037 0.298 0.000 0.821 899 A CB 0.689 19.788 19.000 0.164 0.000 1.170 899 A HN 0.495 nan 8.150 nan 0.000 0.490 900 L N 1.210 122.524 121.223 0.152 0.000 2.365 900 L HA 0.681 5.021 4.340 0.000 0.000 0.273 900 L C -1.504 175.342 176.870 -0.040 0.000 1.000 900 L CA -0.195 54.576 54.840 -0.115 0.000 0.819 900 L CB 2.090 44.016 42.059 -0.221 0.000 1.284 900 L HN 0.628 nan 8.230 nan 0.000 0.418 901 D N 5.466 125.788 120.400 -0.130 0.000 2.646 901 D HA 0.528 5.168 4.640 0.000 0.000 0.245 901 D C -0.923 175.289 176.300 -0.146 0.000 1.099 901 D CA -0.073 53.881 54.000 -0.077 0.000 0.849 901 D CB 2.393 43.163 40.800 -0.050 0.000 1.448 901 D HN 0.520 nan 8.370 nan 0.000 0.489 902 M N 0.799 120.327 119.600 -0.121 0.000 2.457 902 M HA 0.327 4.807 4.480 0.000 0.000 0.300 902 M C -1.103 175.090 176.300 -0.179 0.000 1.141 902 M CA -0.456 54.703 55.300 -0.234 0.000 0.901 902 M CB 2.688 35.161 32.600 -0.213 0.000 1.687 902 M HN 0.091 nan 8.290 nan 0.000 0.449 903 T N 3.182 117.551 114.554 -0.309 0.000 2.906 903 T HA 0.560 4.910 4.350 0.000 0.000 0.302 903 T C -1.161 173.362 174.700 -0.294 0.000 1.002 903 T CA -0.360 61.636 62.100 -0.174 0.000 0.988 903 T CB 0.429 69.223 68.868 -0.124 0.000 0.972 903 T HN 0.265 nan 8.240 nan 0.000 0.447 904 F N 1.965 121.823 119.950 -0.152 0.000 2.421 904 F HA 0.531 5.058 4.527 0.000 0.000 0.337 904 F C 0.773 176.521 175.800 -0.086 0.000 1.105 904 F CA -1.097 56.827 58.000 -0.127 0.000 1.049 904 F CB 1.364 40.308 39.000 -0.093 0.000 1.139 904 F HN 0.454 nan 8.300 nan 0.000 0.479 905 E N 3.007 123.259 120.200 0.088 0.000 2.176 905 E HA 0.650 5.000 4.350 0.000 0.000 0.267 905 E C -1.502 175.102 176.600 0.007 0.000 0.893 905 E CA -0.741 55.671 56.400 0.021 0.000 0.761 905 E CB 1.617 31.304 29.700 -0.021 0.000 1.133 905 E HN 0.532 nan 8.360 nan 0.000 0.409 906 V N 0.566 120.444 119.914 -0.060 0.000 3.141 906 V HA 0.546 4.666 4.120 0.000 0.000 0.312 906 V C -0.646 175.376 176.094 -0.119 0.000 1.157 906 V CA -1.114 61.091 62.300 -0.157 0.000 1.041 906 V CB 1.872 33.501 31.823 -0.323 0.000 1.071 906 V HN 0.575 nan 8.190 nan 0.000 0.441 907 D N 3.131 123.448 120.400 -0.138 0.000 2.389 907 D HA 0.386 5.026 4.640 0.000 0.000 0.247 907 D C -2.369 173.879 176.300 -0.087 0.000 1.128 907 D CA -0.883 53.065 54.000 -0.088 0.000 0.884 907 D CB 1.150 41.901 40.800 -0.082 0.000 1.194 907 D HN 0.654 nan 8.370 nan 0.000 0.441 908 P HA 0.180 nan 4.420 nan 0.000 0.275 908 P C -0.658 176.624 177.300 -0.029 0.000 1.227 908 P CA -0.261 62.815 63.100 -0.039 0.000 0.781 908 P CB 0.932 32.621 31.700 -0.019 0.000 0.906 909 M N 2.011 121.594 119.600 -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 -0.608 54.686 55.300 -0.010 0.000 0.919 909 M CB 2.000 34.585 32.600 -0.024 0.000 1.662 909 M HN 0.249 nan 8.290 nan 0.000 0.440 910 D N 0.830 121.240 120.400 0.017 0.000 2.494 910 D HA 0.011 4.651 4.640 0.000 0.000 0.249 910 D C -0.297 176.010 176.300 0.011 0.000 1.223 910 D CA 0.065 54.075 54.000 0.017 0.000 0.865 910 D CB -0.151 40.667 40.800 0.029 0.000 0.974 910 D HN 0.637 nan 8.370 nan 0.000 0.491 911 E N -1.841 118.361 120.200 0.004 0.000 2.390 911 E HA 0.398 4.748 4.350 0.000 0.000 0.280 911 E C -3.259 173.335 176.600 -0.010 0.000 0.992 911 E CA -2.455 53.944 56.400 -0.002 0.000 0.790 911 E CB 0.943 30.646 29.700 0.006 0.000 1.248 911 E HN -0.224 nan 8.360 nan 0.000 0.447 912 P HA 0.064 nan 4.420 nan 0.000 0.263 912 P C -0.640 176.649 177.300 -0.018 0.000 1.195 912 P CA 0.471 63.560 63.100 -0.018 0.000 0.762 912 P CB 0.704 32.390 31.700 -0.022 0.000 0.799 913 T N 0.919 115.461 114.554 -0.020 0.000 2.773 913 T HA 0.805 5.155 4.350 0.000 0.000 0.278 913 T C -0.793 173.904 174.700 -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 0.646 121.877 121.223 0.014 0.000 2.455 914 L HA 0.572 4.912 4.340 0.000 0.000 0.264 914 L C -1.386 175.542 176.870 0.097 0.000 0.968 914 L CA -1.216 53.652 54.840 0.046 0.000 0.827 914 L CB 2.282 44.361 42.059 0.032 0.000 1.317 914 L HN 0.602 nan 8.230 nan 0.000 0.407 915 L N 3.079 124.373 121.223 0.119 0.000 2.260 915 L HA 0.305 4.645 4.340 0.000 0.000 0.289 915 L C -0.981 176.060 176.870 0.285 0.000 1.057 915 L CA 0.300 55.218 54.840 0.130 0.000 0.811 915 L CB 0.405 42.431 42.059 -0.055 0.000 1.184 915 L HN 0.492 nan 8.230 nan 0.000 0.429 916 Y N 5.879 126.272 120.300 0.155 0.000 2.434 916 Y HA 0.590 5.140 4.550 0.000 0.000 0.341 916 Y C -0.975 175.022 175.900 0.160 0.000 0.965 916 Y CA -1.138 57.071 58.100 0.183 0.000 1.205 916 Y CB 1.040 39.624 38.460 0.207 0.000 1.121 916 Y HN 0.386 nan 8.280 nan 0.000 0.507 917 V N 7.496 127.638 119.914 0.380 0.000 2.417 917 V HA 0.269 4.389 4.120 0.000 0.000 0.291 917 V C -0.338 175.787 176.094 0.051 0.000 1.024 917 V CA -0.880 61.487 62.300 0.110 0.000 0.861 917 V CB 1.534 33.424 31.823 0.111 0.000 0.985 917 V HN 0.625 nan 8.190 nan 0.000 0.436 918 L N 5.232 126.356 121.223 -0.164 0.000 2.265 918 L HA 0.512 4.852 4.340 0.000 0.000 0.289 918 L C -0.680 176.103 176.870 -0.146 0.000 1.033 918 L CA 0.019 54.790 54.840 -0.116 0.000 0.814 918 L CB 0.941 42.859 42.059 -0.234 0.000 1.203 918 L HN 0.520 nan 8.230 nan 0.000 0.423 919 F N 2.047 121.982 119.950 -0.026 0.000 2.368 919 F HA 0.234 4.761 4.527 0.000 0.000 0.362 919 F C 1.119 176.849 175.800 -0.117 0.000 1.137 919 F CA -0.558 57.429 58.000 -0.022 0.000 1.161 919 F CB 0.596 39.409 39.000 -0.312 0.000 1.265 919 F HN 0.434 nan 8.300 nan 0.000 0.530 920 E N 3.514 123.651 120.200 -0.106 0.000 2.351 920 E HA 0.311 4.661 4.350 0.000 0.000 0.266 920 E C 0.008 176.472 176.600 -0.227 0.000 1.031 920 E CA -0.149 56.096 56.400 -0.258 0.000 0.911 920 E CB 0.902 30.361 29.700 -0.401 0.000 0.986 920 E HN 0.504 nan 8.360 nan 0.000 0.446 921 V N 0.162 119.958 119.914 -0.196 0.000 3.109 921 V HA 0.581 4.701 4.120 0.000 0.000 0.311 921 V C -1.201 174.701 176.094 -0.321 0.000 1.389 921 V CA -1.080 61.161 62.300 -0.098 0.000 1.034 921 V CB 1.066 32.954 31.823 0.107 0.000 1.105 921 V HN 0.414 nan 8.190 nan 0.000 0.477 922 F N 1.001 120.942 119.950 -0.015 0.000 2.426 922 F HA 0.691 5.218 4.527 0.000 0.000 0.348 922 F C -0.296 175.489 175.800 -0.025 0.000 1.124 922 F CA -0.143 57.833 58.000 -0.039 0.000 1.008 922 F CB 1.522 40.513 39.000 -0.015 0.000 1.139 922 F HN 0.583 nan 8.300 nan 0.000 0.452 923 D N 4.076 124.490 120.400 0.024 0.000 2.462 923 D HA 0.458 5.098 4.640 0.000 0.000 0.249 923 D C -1.020 175.264 176.300 -0.026 0.000 1.117 923 D CA 0.022 54.009 54.000 -0.021 0.000 0.900 923 D CB 1.034 41.702 40.800 -0.219 0.000 1.039 923 D HN 0.152 nan 8.370 nan 0.000 0.516 924 V N 1.904 121.920 119.914 0.170 0.000 3.019 924 V HA 0.724 4.844 4.120 0.000 0.000 0.317 924 V C -0.060 176.184 176.094 0.250 0.000 1.094 924 V CA -0.868 61.560 62.300 0.214 0.000 1.000 924 V CB 2.350 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 1.802 121.822 119.914 0.177 0.000 2.851 925 V HA 0.541 4.661 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 -0.735 61.526 62.300 -0.066 0.000 0.932 925 V CB 2.070 33.705 31.823 -0.314 0.000 1.024 925 V HN 0.872 nan 8.190 nan 0.000 0.426 926 R N 2.590 123.054 120.500 -0.060 0.000 2.437 926 R HA 0.790 5.130 4.340 0.000 0.000 0.310 926 R C -1.614 174.685 176.300 -0.002 0.000 0.955 926 R CA -0.383 55.699 56.100 -0.031 0.000 0.851 926 R CB 1.924 32.206 30.300 -0.030 0.000 1.161 926 R HN 0.581 nan 8.270 nan 0.000 0.446 927 V N 4.545 124.484 119.914 0.042 0.000 2.398 927 V HA 0.306 4.426 4.120 0.000 0.000 0.286 927 V C -0.129 176.047 176.094 0.136 0.000 1.026 927 V CA -0.621 61.732 62.300 0.088 0.000 0.868 927 V CB 1.289 33.187 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 -0.934 55.124 56.048 0.016 0.000 1.198 928 H CB 1.383 31.154 29.762 0.014 0.000 1.490 928 H HN 0.535 nan 8.280 nan 0.000 0.504 929 R N 5.674 125.988 120.500 -0.310 0.000 2.681 929 R HA 0.148 4.488 4.340 0.000 0.000 0.277 929 R C -2.037 174.023 176.300 -0.399 0.000 1.563 929 R CA -1.540 54.413 56.100 -0.244 0.000 1.673 929 R CB 1.229 31.493 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 -0.324 176.512 177.300 -0.773 0.000 1.150 930 P CA 1.540 64.219 63.100 -0.702 0.000 0.843 930 P CB 0.410 31.771 31.700 -0.566 0.000 0.787 931 H N -3.372 115.649 119.070 -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 -1.065 54.962 56.048 -0.034 0.000 1.124 931 H CB 0.958 30.706 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 0.489 176.788 176.300 -0.002 0.000 0.974 932 R CA 1.445 57.575 56.100 0.051 0.000 1.077 932 R CB -0.433 29.884 30.300 0.028 0.000 0.926 932 R HN 1.064 nan 8.270 nan 0.000 0.407 933 G N 2.475 111.227 108.800 -0.080 0.000 2.168 933 G HA2 -0.253 3.707 3.960 0.000 0.000 0.257 933 G HA3 -0.253 3.707 3.960 0.000 0.000 0.257 933 G C -0.342 174.510 174.900 -0.081 0.000 0.997 933 G CA 0.255 45.192 45.100 -0.271 0.000 0.708 933 G HN 0.510 nan 8.290 nan 0.000 0.520 934 V N 1.208 121.162 119.914 0.068 0.000 2.487 934 V HA 0.676 4.796 4.120 0.000 0.000 0.298 934 V C 0.230 176.408 176.094 0.140 0.000 1.028 934 V CA -0.739 61.623 62.300 0.104 0.000 0.860 934 V CB 1.857 33.742 31.823 0.104 0.000 0.991 934 V HN 0.296 nan 8.190 nan 0.000 0.427 935 I N 4.399 125.065 120.570 0.160 0.000 2.439 935 I HA 0.517 4.687 4.170 0.000 0.000 0.285 935 I C -0.416 175.777 176.117 0.127 0.000 1.021 935 I CA -0.437 60.946 61.300 0.138 0.000 1.091 935 I CB 1.985 40.077 38.000 0.152 0.000 1.242 935 I HN 0.602 nan 8.210 nan 0.000 0.439 936 E N 4.564 124.839 120.200 0.126 0.000 2.199 936 E HA 0.576 4.926 4.350 0.000 0.000 0.269 936 E C -0.738 175.950 176.600 0.146 0.000 0.899 936 E CA -0.786 55.703 56.400 0.149 0.000 0.772 936 E CB 2.604 32.414 29.700 0.183 0.000 1.155 936 E HN 0.628 nan 8.360 nan 0.000 0.408 937 T N -1.637 113.002 114.554 0.142 0.000 2.893 937 T HA 0.604 4.954 4.350 0.000 0.000 0.291 937 T C -0.577 174.194 174.700 0.118 0.000 1.028 937 T CA -0.792 61.365 62.100 0.096 0.000 0.995 937 T CB 1.368 70.282 68.868 0.077 0.000 1.051 937 T HN 0.147 nan 8.240 nan 0.000 0.470 938 V N 2.767 122.703 119.914 0.037 0.000 2.443 938 V HA 0.418 4.538 4.120 0.000 0.000 0.293 938 V C -1.346 174.782 176.094 0.056 0.000 1.021 938 V CA -0.903 61.452 62.300 0.092 0.000 0.848 938 V CB 0.770 32.627 31.823 0.056 0.000 0.998 938 V HN 0.921 nan 8.190 nan 0.000 0.424 939 Y N 4.994 125.368 120.300 0.123 0.000 2.342 939 Y HA 0.752 5.302 4.550 0.000 0.000 0.334 939 Y C -0.178 175.802 175.900 0.134 0.000 1.067 939 Y CA -0.686 57.509 58.100 0.159 0.000 1.128 939 Y CB 1.929 40.498 38.460 0.182 0.000 1.200 939 Y HN 0.531 nan 8.280 nan 0.000 0.464 940 L N 4.695 126.093 121.223 0.291 0.000 2.516 940 L HA 0.524 4.864 4.340 0.000 0.000 0.267 940 L C -1.415 175.581 176.870 0.210 0.000 0.957 940 L CA -0.744 54.217 54.840 0.202 0.000 0.860 940 L CB 1.642 43.777 42.059 0.126 0.000 1.265 940 L HN 0.659 nan 8.230 nan 0.000 0.403 941 R N 3.376 123.990 120.500 0.189 0.000 2.435 941 R HA 0.735 5.075 4.340 0.000 0.000 0.308 941 R C -1.499 174.901 176.300 0.165 0.000 0.975 941 R CA 0.005 56.215 56.100 0.184 0.000 0.867 941 R CB 1.267 31.675 30.300 0.181 0.000 1.171 941 R HN 0.826 nan 8.270 nan 0.000 0.470 942 T N 2.177 116.845 114.554 0.191 0.000 2.916 942 T HA 0.505 4.855 4.350 0.000 0.000 0.298 942 T C -2.802 172.053 174.700 0.257 0.000 1.031 942 T CA -1.984 60.219 62.100 0.172 0.000 0.993 942 T CB 2.453 71.386 68.868 0.110 0.000 1.045 942 T HN 0.236 nan 8.240 nan 0.000 0.454 943 P HA 0.471 nan 4.420 nan 0.000 0.296 943 P C -0.482 176.951 177.300 0.222 0.000 1.295 943 P CA -0.463 62.707 63.100 0.117 0.000 0.754 943 P CB -0.069 31.635 31.700 0.007 0.000 1.311 944 F N -2.871 116.956 119.950 -0.205 0.000 2.695 944 F HA -0.189 4.338 4.527 0.000 0.000 0.305 944 F C 0.338 176.096 175.800 -0.070 0.000 1.044 944 F CA 0.155 58.052 58.000 -0.171 0.000 1.049 944 F CB -2.583 36.330 39.000 -0.144 0.000 1.267 944 F HN -0.040 nan 8.300 nan 0.000 0.828 945 S N 0.372 116.082 115.700 0.016 0.000 2.562 945 S HA 0.606 5.076 4.470 0.000 0.000 0.281 945 S C 1.031 175.667 174.600 0.059 0.000 1.333 945 S CA -0.124 58.103 58.200 0.045 0.000 1.052 945 S CB 1.358 64.560 63.200 0.004 0.000 0.884 945 S HN 0.677 nan 8.310 nan 0.000 0.506 946 A N 3.969 126.838 122.820 0.081 0.000 3.789 946 A HA 0.618 4.938 4.320 0.000 0.000 0.163 946 A C 1.101 178.711 177.584 0.043 0.000 1.580 946 A CA 0.365 52.445 52.037 0.071 0.000 0.919 946 A CB -1.227 17.824 19.000 0.084 0.000 1.117 946 A HN 0.839 nan 8.150 nan 0.000 0.453 947 G N -0.794 108.029 108.800 0.038 0.000 2.621 947 G HA2 0.464 4.424 3.960 0.000 0.000 0.271 947 G HA3 0.464 4.424 3.960 0.000 0.000 0.271 947 G C -0.277 174.641 174.900 0.029 0.000 1.236 947 G CA -0.018 45.097 45.100 0.024 0.000 0.958 947 G HN 0.978 nan 8.290 nan 0.000 0.512 948 N N -1.623 117.090 118.700 0.021 0.000 3.278 948 N HA 0.620 5.360 4.740 0.000 0.000 0.307 948 N C -0.544 174.978 175.510 0.021 0.000 1.551 948 N CA -0.580 52.483 53.050 0.022 0.000 0.794 948 N CB 1.528 40.022 38.487 0.012 0.000 1.770 948 N HN 0.733 nan 8.380 nan 0.000 0.612 949 A N 0.000 122.832 122.820 0.020 0.000 2.254 949 A HA 0.000 4.320 4.320 0.000 0.000 0.244 949 A CA 0.000 52.047 52.037 0.017 0.000 0.836 949 A CB 0.000 19.006 19.000 0.011 0.000 0.831 949 A HN 0.000 nan 8.150 nan 0.000 0.486