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_E DATA FIRST_RESID 5 DATA SEQUENCE MMPQWSYMHI SGQDASEYLS PGLVQFARAT ETYFSLNNKF RNPTVAPTHD DATA SEQUENCE VTTDRSQRLT LRFIPVDRED TAYSYKARFT LAVGDNRVLD MASTYFDIRG DATA SEQUENCE VLDRGPTFKP YSGTAYNALA PKGAPNPCEW DXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX THVFGQAPYS GINITKEGIQ IGVEGQTPKY ADKTFQPEPQ DATA SEQUENCE IGESQWYETE INHAAGRVLK KTTPMKPCYG SYAKPTNENG GQGILVKQQN DATA SEQUENCE GKLESQVEMQ FFSTTEATAG NGDNLTPKVV LYSEDVDIET PDTHISYMPT DATA SEQUENCE IKEGNSRELM GQQSMPNRPN YIAFRDNFIG LMYYNSTGNM GVLAGQASQL DATA SEQUENCE NAVVDLQDRN TELSYQLLLD SIGDRTRYFS MWNQAVDSYD PDVRIIENHG DATA SEQUENCE TEDELPNYCF PLGGVINTET LTKVKPKTGQ ENGWEKDATE FSDKNEIRVG DATA SEQUENCE NNFAMEINLN ANLWRNFLYS NIALYLPDKL KYSPSNVKIS DNPNTYDYMN DATA SEQUENCE KRVVAPGLVD CYINLGARWS LDYMDNVNPF NHHRNAGLRY RSMLLGNGRY DATA SEQUENCE VPFHIQVPQK FFAIKNLLLL PGSYTYEWNF RKDVNMVLQS SLGNDLRVDG DATA SEQUENCE ASIKFDSICL YATFFPMAHN TASTLEAMLR NDTNDQSFND YLSAANMLYP DATA SEQUENCE IPANATNVPI SIPSRNWAAF RGWAFTRLKT KETPSLGSGY DPYYTYSGSI DATA SEQUENCE PYLDGTFYLN HTFKKVAITF DSSVSWPGND RLLTPNEFEI KRSVDGEGYN DATA SEQUENCE VAQCNMTKDW FLVQMLANYN IGYQGFYIPE SYKDRMYSFF RNFQPMSRQV DATA SEQUENCE VDDTKYKDYQ QVGILHQHNN SGFVGYLAPT MREGQAYPAN FPYPLIGKTA DATA SEQUENCE VDSITQKKFL CDRTLWRIPF SSNFMSMGAL TDLGQNLLYA NSAHALDMTF DATA SEQUENCE EVDPMDEPTL LYVLFEVFDV VRVHRPHRGV IETVYLRTPF SAGNAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.017 176.300 -0.471 0.000 1.140 5 M CA 0.000 54.876 55.300 -0.706 0.000 0.988 5 M CB 0.000 32.245 32.600 -0.592 0.000 1.302 6 M N -1.150 118.159 119.600 -0.486 0.000 7.319 6 M HA -0.138 4.342 4.480 0.000 0.000 0.546 6 M C -1.808 174.446 176.300 -0.077 0.000 0.480 6 M CA 1.083 56.282 55.300 -0.169 0.000 1.311 6 M CB -2.896 29.629 32.600 -0.125 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 1.591 178.889 177.300 -0.004 0.000 1.146 7 P CA 1.811 64.888 63.100 -0.038 0.000 0.813 7 P CB -0.079 31.580 31.700 -0.067 0.000 0.778 8 Q N -1.695 118.072 119.800 -0.054 0.000 1.994 8 Q HA -0.098 4.242 4.340 0.000 0.000 0.198 8 Q C 1.927 178.047 176.000 0.201 0.000 0.976 8 Q CA 1.549 57.367 55.803 0.024 0.000 0.828 8 Q CB -1.050 27.645 28.738 -0.072 0.000 0.894 8 Q HN 0.236 nan 8.270 nan 0.000 0.432 9 W N 0.189 121.500 121.300 0.019 0.000 2.353 9 W HA -0.044 4.616 4.660 0.000 0.000 0.319 9 W C 2.591 179.092 176.519 -0.030 0.000 1.207 9 W CA 1.181 58.529 57.345 0.005 0.000 1.291 9 W CB -1.669 27.798 29.460 0.012 0.000 1.159 9 W HN 0.187 nan 8.180 nan 0.000 0.478 10 S N -0.298 115.535 115.700 0.221 0.000 2.378 10 S HA -0.354 4.116 4.470 0.000 0.000 0.229 10 S C 1.952 176.475 174.600 -0.128 0.000 1.052 10 S CA 2.129 60.367 58.200 0.063 0.000 1.084 10 S CB -1.000 62.239 63.200 0.064 0.000 0.950 10 S HN 0.271 nan 8.310 nan 0.000 0.440 11 Y N 0.924 121.123 120.300 -0.167 0.000 2.224 11 Y HA 0.059 4.609 4.550 0.000 0.000 0.289 11 Y C 2.005 177.693 175.900 -0.354 0.000 1.146 11 Y CA 1.736 59.681 58.100 -0.259 0.000 1.182 11 Y CB -0.161 38.224 38.460 -0.125 0.000 0.983 11 Y HN 0.271 nan 8.280 nan 0.000 0.524 12 M N -0.393 119.085 119.600 -0.204 0.000 2.495 12 M HA 0.031 4.511 4.480 0.000 0.000 0.237 12 M C -0.046 176.175 176.300 -0.132 0.000 1.131 12 M CA 0.658 55.845 55.300 -0.188 0.000 1.032 12 M CB -1.113 31.515 32.600 0.046 0.000 1.513 12 M HN 0.388 nan 8.290 nan 0.000 0.488 13 H N -0.891 118.098 119.070 -0.135 0.000 2.936 13 H HA -0.144 4.412 4.556 0.000 0.000 0.276 13 H C 1.162 176.457 175.328 -0.056 0.000 1.216 13 H CA 0.539 56.508 56.048 -0.132 0.000 1.132 13 H CB -1.499 28.152 29.762 -0.185 0.000 1.303 13 H HN 0.294 nan 8.280 nan 0.000 0.370 14 I N -0.141 120.449 120.570 0.034 0.000 2.546 14 I HA -0.070 4.100 4.170 0.000 0.000 0.255 14 I C 1.603 177.651 176.117 -0.116 0.000 1.163 14 I CA 1.517 62.746 61.300 -0.118 0.000 1.457 14 I CB -0.344 37.456 38.000 -0.334 0.000 1.092 14 I HN 0.349 nan 8.210 nan 0.000 0.434 15 S N -1.184 114.549 115.700 0.055 0.000 2.705 15 S HA 0.799 5.269 4.470 0.000 0.000 0.280 15 S C -0.008 174.682 174.600 0.149 0.000 1.174 15 S CA 0.025 58.290 58.200 0.108 0.000 0.823 15 S CB 2.293 65.633 63.200 0.234 0.000 1.162 15 S HN 0.545 nan 8.310 nan 0.000 0.487 16 G N 0.576 109.464 108.800 0.146 0.000 2.445 16 G HA2 -0.016 3.944 3.960 0.000 0.000 0.212 16 G HA3 -0.016 3.944 3.960 0.000 0.000 0.212 16 G C -1.039 173.959 174.900 0.162 0.000 1.217 16 G CA -0.260 44.929 45.100 0.148 0.000 1.002 16 G HN 0.975 nan 8.290 nan 0.000 0.574 17 Q N 0.354 120.280 119.800 0.210 0.000 2.249 17 Q HA 0.500 4.840 4.340 0.000 0.000 0.226 17 Q C -0.515 175.653 176.000 0.280 0.000 0.983 17 Q CA -0.691 55.243 55.803 0.218 0.000 0.930 17 Q CB 0.857 29.731 28.738 0.227 0.000 1.193 17 Q HN 0.540 nan 8.270 nan 0.000 0.508 18 D N -0.349 120.142 120.400 0.151 0.000 2.348 18 D HA 0.149 4.789 4.640 0.000 0.000 0.249 18 D C 0.603 176.826 176.300 -0.128 0.000 1.110 18 D CA 0.016 54.052 54.000 0.060 0.000 0.967 18 D CB 1.336 42.130 40.800 -0.010 0.000 1.139 18 D HN 0.675 nan 8.370 nan 0.000 0.466 19 A N 1.052 123.652 122.820 -0.365 0.000 1.948 19 A HA -0.222 4.098 4.320 0.000 0.000 0.220 19 A C 2.008 179.210 177.584 -0.636 0.000 1.177 19 A CA 2.411 53.894 52.037 -0.923 0.000 0.636 19 A CB -0.708 17.950 19.000 -0.569 0.000 0.815 19 A HN 0.569 nan 8.150 nan 0.000 0.449 20 S N -0.706 114.795 115.700 -0.331 0.000 2.500 20 S HA -0.126 4.344 4.470 0.000 0.000 0.239 20 S C 1.399 175.895 174.600 -0.174 0.000 0.989 20 S CA 1.414 59.479 58.200 -0.225 0.000 0.951 20 S CB -0.218 62.902 63.200 -0.134 0.000 0.759 20 S HN 0.737 nan 8.310 nan 0.000 0.523 21 E N 0.106 120.211 120.200 -0.158 0.000 2.207 21 E HA 0.088 4.438 4.350 0.000 0.000 0.197 21 E C 1.515 178.108 176.600 -0.012 0.000 0.914 21 E CA 0.493 56.862 56.400 -0.052 0.000 0.914 21 E CB -0.265 29.447 29.700 0.020 0.000 0.893 21 E HN 0.769 nan 8.360 nan 0.000 0.479 22 Y N 1.277 121.575 120.300 -0.002 0.000 2.578 22 Y HA 0.294 4.844 4.550 0.000 0.000 0.297 22 Y C 0.069 175.966 175.900 -0.004 0.000 1.176 22 Y CA 0.050 58.178 58.100 0.047 0.000 1.315 22 Y CB -0.243 38.323 38.460 0.178 0.000 1.031 22 Y HN -0.192 nan 8.280 nan 0.000 0.524 23 L N 1.007 121.968 121.223 -0.437 0.000 2.322 23 L HA 0.314 4.654 4.340 0.000 0.000 0.281 23 L C 0.544 177.273 176.870 -0.235 0.000 1.014 23 L CA -1.192 53.378 54.840 -0.451 0.000 0.815 23 L CB 1.605 43.180 42.059 -0.806 0.000 1.247 23 L HN 0.056 nan 8.230 nan 0.000 0.421 24 S N 3.799 119.412 115.700 -0.145 0.000 2.817 24 S HA -0.046 4.424 4.470 0.000 0.000 0.333 24 S C -1.432 173.106 174.600 -0.103 0.000 1.227 24 S CA -0.640 57.508 58.200 -0.088 0.000 1.027 24 S CB 0.590 63.751 63.200 -0.065 0.000 0.732 24 S HN 0.436 nan 8.310 nan 0.000 0.499 25 P HA -0.051 nan 4.420 nan 0.000 0.214 25 P C 1.638 178.914 177.300 -0.041 0.000 1.163 25 P CA 1.624 64.692 63.100 -0.054 0.000 0.889 25 P CB -0.400 31.282 31.700 -0.029 0.000 0.790 26 G N -0.034 108.751 108.800 -0.026 0.000 2.446 26 G HA2 -0.274 3.686 3.960 0.000 0.000 0.217 26 G HA3 -0.274 3.686 3.960 0.000 0.000 0.217 26 G C 1.496 176.403 174.900 0.011 0.000 1.168 26 G CA 0.736 45.834 45.100 -0.003 0.000 0.771 26 G HN 0.214 nan 8.290 nan 0.000 0.551 27 L N 0.875 122.077 121.223 -0.035 0.000 2.046 27 L HA -0.039 4.301 4.340 0.000 0.000 0.208 27 L C 2.992 179.855 176.870 -0.012 0.000 1.077 27 L CA 1.447 56.264 54.840 -0.038 0.000 0.747 27 L CB -0.628 41.350 42.059 -0.135 0.000 0.896 27 L HN 0.104 nan 8.230 nan 0.000 0.432 28 V N -0.405 119.453 119.914 -0.093 0.000 2.287 28 V HA -0.367 3.753 4.120 0.000 0.000 0.248 28 V C 2.585 178.662 176.094 -0.028 0.000 1.053 28 V CA 2.115 64.353 62.300 -0.103 0.000 1.027 28 V CB -0.790 30.950 31.823 -0.138 0.000 0.646 28 V HN 0.650 nan 8.190 nan 0.000 0.447 29 Q N -0.750 119.052 119.800 0.004 0.000 2.084 29 Q HA -0.254 4.086 4.340 0.000 0.000 0.202 29 Q C 2.131 178.162 176.000 0.053 0.000 0.978 29 Q CA 2.202 58.017 55.803 0.019 0.000 0.844 29 Q CB -0.234 28.522 28.738 0.029 0.000 0.898 29 Q HN 0.661 nan 8.270 nan 0.000 0.426 30 F N 0.377 120.308 119.950 -0.031 0.000 2.186 30 F HA -0.087 4.440 4.527 0.000 0.000 0.299 30 F C 1.933 177.724 175.800 -0.014 0.000 1.090 30 F CA 1.370 59.367 58.000 -0.005 0.000 1.307 30 F CB -0.334 38.675 39.000 0.015 0.000 1.019 30 F HN 0.132 nan 8.300 nan 0.000 0.489 31 A N 0.454 123.333 122.820 0.097 0.000 1.969 31 A HA -0.155 4.165 4.320 0.000 0.000 0.218 31 A C 2.338 179.843 177.584 -0.131 0.000 1.169 31 A CA 1.475 53.508 52.037 -0.006 0.000 0.635 31 A CB -0.785 18.249 19.000 0.056 0.000 0.810 31 A HN 0.489 nan 8.150 nan 0.000 0.445 32 R N -0.577 119.856 120.500 -0.112 0.000 2.115 32 R HA 0.030 4.370 4.340 0.000 0.000 0.226 32 R C 2.081 178.285 176.300 -0.160 0.000 1.100 32 R CA 1.193 57.224 56.100 -0.116 0.000 0.980 32 R CB -0.245 30.009 30.300 -0.077 0.000 0.875 32 R HN 0.419 nan 8.270 nan 0.000 0.445 33 A N -0.085 122.611 122.820 -0.207 0.000 2.021 33 A HA -0.036 4.284 4.320 0.000 0.000 0.216 33 A C 1.828 179.184 177.584 -0.381 0.000 1.163 33 A CA 1.262 53.167 52.037 -0.220 0.000 0.676 33 A CB -0.241 18.661 19.000 -0.163 0.000 0.818 33 A HN 0.513 nan 8.150 nan 0.000 0.453 34 T N -2.284 111.911 114.554 -0.598 0.000 3.129 34 T HA 0.088 4.438 4.350 0.000 0.000 0.251 34 T C 0.969 175.277 174.700 -0.655 0.000 1.117 34 T CA 0.780 62.327 62.100 -0.922 0.000 1.034 34 T CB -0.009 68.299 68.868 -0.935 0.000 0.968 34 T HN 0.340 nan 8.240 nan 0.000 0.526 35 E N 2.424 122.392 120.200 -0.387 0.000 2.453 35 E HA -0.057 4.293 4.350 0.000 0.000 0.207 35 E C 1.355 177.820 176.600 -0.225 0.000 1.212 35 E CA 0.905 57.160 56.400 -0.243 0.000 0.959 35 E CB -0.806 28.798 29.700 -0.160 0.000 0.957 35 E HN 0.821 nan 8.360 nan 0.000 0.540 36 T N -3.528 110.819 114.554 -0.346 0.000 3.330 36 T HA 0.028 4.378 4.350 0.000 0.000 0.240 36 T C 1.662 176.314 174.700 -0.080 0.000 0.988 36 T CA 0.360 62.357 62.100 -0.171 0.000 1.253 36 T CB -0.727 68.115 68.868 -0.044 0.000 1.163 36 T HN 0.281 nan 8.240 nan 0.000 0.382 37 Y N 0.563 120.879 120.300 0.027 0.000 2.190 37 Y HA 0.601 5.151 4.550 0.000 0.000 0.290 37 Y C 0.829 176.835 175.900 0.178 0.000 1.115 37 Y CA -0.915 57.237 58.100 0.086 0.000 1.107 37 Y CB -0.466 38.046 38.460 0.087 0.000 1.033 37 Y HN 0.162 nan 8.280 nan 0.000 0.502 38 F N 1.442 121.310 119.950 -0.136 0.000 2.420 38 F HA 0.540 5.067 4.527 0.000 0.000 0.342 38 F C -0.167 175.559 175.800 -0.123 0.000 1.113 38 F CA -1.518 56.467 58.000 -0.025 0.000 1.059 38 F CB 1.633 40.720 39.000 0.145 0.000 1.128 38 F HN -0.087 nan 8.300 nan 0.000 0.475 39 S N 5.868 121.400 115.700 -0.279 0.000 2.530 39 S HA 0.512 4.982 4.470 0.000 0.000 0.322 39 S C 0.274 174.770 174.600 -0.173 0.000 1.085 39 S CA -0.580 57.508 58.200 -0.187 0.000 1.096 39 S CB 0.477 63.579 63.200 -0.163 0.000 0.988 39 S HN 0.718 nan 8.310 nan 0.000 0.466 40 L N 4.428 125.654 121.223 0.005 0.000 2.693 40 L HA 0.252 4.592 4.340 0.000 0.000 0.235 40 L C 1.749 178.726 176.870 0.179 0.000 1.127 40 L CA -0.169 54.747 54.840 0.127 0.000 0.914 40 L CB -0.167 42.109 42.059 0.361 0.000 1.193 40 L HN 0.513 nan 8.230 nan 0.000 0.502 41 N N 1.706 120.458 118.700 0.087 0.000 2.104 41 N HA -0.197 4.543 4.740 0.000 0.000 0.190 41 N C 1.457 177.007 175.510 0.068 0.000 1.024 41 N CA 1.704 54.810 53.050 0.094 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 1.366 120.055 118.700 -0.018 0.000 2.571 42 N HA -0.085 4.655 4.740 0.000 0.000 0.189 42 N C 0.508 175.945 175.510 -0.122 0.000 1.154 42 N CA 0.539 53.555 53.050 -0.056 0.000 0.907 42 N CB 0.038 38.481 38.487 -0.073 0.000 0.977 42 N HN 0.158 nan 8.380 nan 0.000 0.449 43 K N -0.200 120.070 120.400 -0.218 0.000 2.367 43 K HA 0.146 4.466 4.320 0.000 0.000 0.194 43 K C -0.499 175.617 176.600 -0.807 0.000 1.027 43 K CA 0.101 56.054 56.287 -0.556 0.000 1.075 43 K CB 0.268 32.269 32.500 -0.832 0.000 0.845 43 K HN 0.173 nan 8.250 nan 0.000 0.529 44 F N 1.109 121.051 119.950 -0.013 0.000 2.536 44 F HA 0.355 4.882 4.527 0.000 0.000 0.322 44 F C 0.395 176.190 175.800 -0.008 0.000 1.144 44 F CA -1.436 56.568 58.000 0.007 0.000 0.924 44 F CB 1.270 40.241 39.000 -0.049 0.000 1.181 44 F HN -0.290 nan 8.300 nan 0.000 0.438 45 R N 2.444 123.041 120.500 0.162 0.000 2.590 45 R HA 0.260 4.600 4.340 0.000 0.000 0.274 45 R C -0.952 175.398 176.300 0.084 0.000 1.061 45 R CA 0.068 56.221 56.100 0.088 0.000 1.081 45 R CB 0.122 30.469 30.300 0.078 0.000 0.984 45 R HN 0.593 nan 8.270 nan 0.000 0.448 46 N N 6.269 125.002 118.700 0.056 0.000 2.524 46 N HA 0.305 5.045 4.740 0.000 0.000 0.261 46 N C -2.549 172.986 175.510 0.041 0.000 0.998 46 N CA -1.327 51.752 53.050 0.049 0.000 0.915 46 N CB 1.917 40.414 38.487 0.017 0.000 1.187 46 N HN 0.536 nan 8.380 nan 0.000 0.507 47 P HA 0.122 nan 4.420 nan 0.000 0.272 47 P C -0.545 176.763 177.300 0.014 0.000 1.223 47 P CA -0.093 63.026 63.100 0.032 0.000 0.784 47 P CB 0.772 32.506 31.700 0.057 0.000 0.923 48 T N -1.311 113.235 114.554 -0.014 0.000 2.879 48 T HA 0.541 4.891 4.350 0.000 0.000 0.290 48 T C -0.525 174.156 174.700 -0.031 0.000 0.993 48 T CA -0.695 61.396 62.100 -0.014 0.000 0.975 48 T CB 0.848 69.705 68.868 -0.018 0.000 0.981 48 T HN 0.158 nan 8.240 nan 0.000 0.439 49 V N 2.112 122.018 119.914 -0.013 0.000 2.540 49 V HA 0.810 4.930 4.120 0.000 0.000 0.302 49 V C 0.428 176.522 176.094 0.001 0.000 1.035 49 V CA -1.129 61.162 62.300 -0.014 0.000 0.873 49 V CB 1.591 33.423 31.823 0.015 0.000 0.992 49 V HN 1.275 nan 8.190 nan 0.000 0.428 50 A N 6.382 129.201 122.820 -0.003 0.000 2.327 50 A HA 0.825 5.145 4.320 0.000 0.000 0.283 50 A C -1.711 175.885 177.584 0.020 0.000 1.127 50 A CA -1.240 50.801 52.037 0.008 0.000 0.810 50 A CB -0.034 18.969 19.000 0.006 0.000 1.066 50 A HN 0.747 nan 8.150 nan 0.000 0.492 51 P HA 0.081 nan 4.420 nan 0.000 0.270 51 P C 0.235 177.546 177.300 0.018 0.000 1.221 51 P CA 0.526 63.614 63.100 -0.021 0.000 0.788 51 P CB 0.348 31.996 31.700 -0.086 0.000 0.904 52 T N -3.310 111.278 114.554 0.056 0.000 3.460 52 T HA 0.242 4.592 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 -0.855 68.114 68.868 0.169 0.000 1.196 52 T HN 0.887 nan 8.240 nan 0.000 0.490 53 H N -1.560 117.538 119.070 0.046 0.000 3.093 53 H HA 0.308 4.864 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 -0.534 55.540 56.048 0.042 0.000 1.366 53 H CB 0.132 29.916 29.762 0.037 0.000 1.998 53 H HN 0.017 nan 8.280 nan 0.000 0.522 54 D N 1.258 121.709 120.400 0.084 0.000 2.775 54 D HA -0.107 4.533 4.640 0.000 0.000 0.235 54 D C 0.527 176.844 176.300 0.028 0.000 1.120 54 D CA 1.184 55.214 54.000 0.049 0.000 0.708 54 D CB -1.516 39.304 40.800 0.034 0.000 1.084 54 D HN 0.411 nan 8.370 nan 0.000 0.434 55 V N -1.928 118.027 119.914 0.069 0.000 3.837 55 V HA 0.129 4.249 4.120 0.000 0.000 0.182 55 V C 0.910 177.129 176.094 0.208 0.000 1.356 55 V CA 1.066 63.450 62.300 0.141 0.000 1.260 55 V CB 0.892 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 0.805 115.415 114.554 0.094 0.000 2.940 56 T HA 0.494 4.844 4.350 0.000 0.000 0.288 56 T C -0.301 174.390 174.700 -0.016 0.000 1.033 56 T CA -0.016 62.093 62.100 0.016 0.000 1.033 56 T CB 2.012 70.848 68.868 -0.054 0.000 1.079 56 T HN 0.360 nan 8.240 nan 0.000 0.496 57 T N 0.367 114.878 114.554 -0.072 0.000 2.922 57 T HA 0.227 4.577 4.350 0.000 0.000 0.285 57 T C 0.208 174.833 174.700 -0.125 0.000 1.005 57 T CA -0.653 61.347 62.100 -0.167 0.000 1.061 57 T CB 0.424 69.089 68.868 -0.339 0.000 1.007 57 T HN 0.449 nan 8.240 nan 0.000 0.502 58 D N 1.490 121.814 120.400 -0.126 0.000 2.366 58 D HA 0.101 4.741 4.640 0.000 0.000 0.205 58 D C 1.068 177.327 176.300 -0.069 0.000 1.022 58 D CA 0.205 54.162 54.000 -0.072 0.000 0.868 58 D CB 0.113 40.887 40.800 -0.043 0.000 0.953 58 D HN 0.643 nan 8.370 nan 0.000 0.514 59 R N 0.542 120.979 120.500 -0.105 0.000 2.560 59 R HA 0.355 4.695 4.340 0.000 0.000 0.270 59 R C 0.348 176.629 176.300 -0.032 0.000 1.074 59 R CA -0.478 55.589 56.100 -0.055 0.000 1.140 59 R CB 0.755 31.034 30.300 -0.034 0.000 1.073 59 R HN -0.214 nan 8.270 nan 0.000 0.527 60 S N 0.845 116.541 115.700 -0.006 0.000 2.546 60 S HA -0.017 4.453 4.470 0.000 0.000 0.290 60 S C -0.575 174.030 174.600 0.008 0.000 1.290 60 S CA 0.024 58.222 58.200 -0.002 0.000 1.069 60 S CB 0.192 63.392 63.200 0.001 0.000 0.846 60 S HN 0.618 nan 8.310 nan 0.000 0.495 61 Q N 2.865 122.664 119.800 -0.002 0.000 2.403 61 Q HA 0.280 4.620 4.340 0.000 0.000 0.267 61 Q C -1.362 174.629 176.000 -0.016 0.000 0.991 61 Q CA -0.757 55.044 55.803 -0.004 0.000 0.906 61 Q CB 1.141 29.895 28.738 0.026 0.000 1.422 61 Q HN 0.700 nan 8.270 nan 0.000 0.400 62 R N 3.219 123.697 120.500 -0.036 0.000 2.390 62 R HA 0.258 4.598 4.340 0.000 0.000 0.291 62 R C 0.667 176.979 176.300 0.020 0.000 1.070 62 R CA 0.061 56.151 56.100 -0.018 0.000 1.014 62 R CB 0.784 31.060 30.300 -0.041 0.000 1.007 62 R HN 0.778 nan 8.270 nan 0.000 0.466 63 L N 1.340 122.600 121.223 0.062 0.000 2.162 63 L HA 0.007 4.347 4.340 0.000 0.000 0.205 63 L C 0.330 177.331 176.870 0.217 0.000 1.086 63 L CA 1.206 56.119 54.840 0.123 0.000 0.778 63 L CB 0.320 42.426 42.059 0.078 0.000 0.928 63 L HN 0.543 nan 8.230 nan 0.000 0.446 64 T N 0.646 115.305 114.554 0.176 0.000 2.841 64 T HA 0.479 4.829 4.350 0.000 0.000 0.285 64 T C -0.499 174.287 174.700 0.143 0.000 0.991 64 T CA -0.395 61.837 62.100 0.220 0.000 0.966 64 T CB 1.957 70.956 68.868 0.218 0.000 0.962 64 T HN -0.106 nan 8.240 nan 0.000 0.438 65 L N 2.735 124.042 121.223 0.140 0.000 2.331 65 L HA 0.671 5.011 4.340 0.000 0.000 0.275 65 L C 0.282 176.916 176.870 -0.392 0.000 1.022 65 L CA -1.042 53.707 54.840 -0.152 0.000 0.812 65 L CB 1.866 43.810 42.059 -0.192 0.000 1.257 65 L HN 0.379 nan 8.230 nan 0.000 0.435 66 R N 1.716 121.828 120.500 -0.648 0.000 2.480 66 R HA 0.574 4.914 4.340 0.000 0.000 0.306 66 R C -1.720 174.132 176.300 -0.746 0.000 0.958 66 R CA -0.457 55.164 56.100 -0.797 0.000 0.861 66 R CB 1.226 31.119 30.300 -0.678 0.000 1.171 66 R HN 0.333 nan 8.270 nan 0.000 0.445 67 F N 4.501 124.338 119.950 -0.189 0.000 2.469 67 F HA 0.479 5.006 4.527 0.000 0.000 0.332 67 F C 0.280 176.190 175.800 0.184 0.000 1.103 67 F CA -0.992 57.031 58.000 0.037 0.000 0.979 67 F CB 1.371 40.443 39.000 0.121 0.000 1.137 67 F HN 0.151 nan 8.300 nan 0.000 0.463 68 I N 3.218 124.013 120.570 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 -2.982 58.494 61.300 0.292 0.000 1.204 68 I CB 1.293 39.371 38.000 0.131 0.000 1.362 68 I HN 0.265 nan 8.210 nan 0.000 0.471 69 P HA 0.025 nan 4.420 nan 0.000 0.268 69 P C 0.749 177.935 177.300 -0.190 0.000 1.204 69 P CA 0.157 62.989 63.100 -0.445 0.000 0.768 69 P CB 0.973 32.413 31.700 -0.433 0.000 0.842 70 V N 1.895 121.696 119.914 -0.189 0.000 3.052 70 V HA 0.063 4.183 4.120 0.000 0.000 0.254 70 V C -0.166 175.861 176.094 -0.111 0.000 1.100 70 V CA 1.553 63.804 62.300 -0.082 0.000 1.112 70 V CB -0.214 31.591 31.823 -0.029 0.000 0.738 70 V HN 0.487 nan 8.190 nan 0.000 0.469 71 D N -0.437 119.855 120.400 -0.180 0.000 2.886 71 D HA 0.506 5.146 4.640 0.000 0.000 0.216 71 D C -0.864 175.296 176.300 -0.233 0.000 1.256 71 D CA -0.306 53.593 54.000 -0.169 0.000 0.844 71 D CB 1.719 42.437 40.800 -0.136 0.000 1.669 71 D HN 0.211 nan 8.370 nan 0.000 0.513 72 R N 1.080 121.447 120.500 -0.221 0.000 2.686 72 R HA 0.553 4.893 4.340 0.000 0.000 0.283 72 R C -0.784 175.320 176.300 -0.325 0.000 0.978 72 R CA -0.847 55.068 56.100 -0.307 0.000 0.897 72 R CB 2.433 32.579 30.300 -0.257 0.000 1.192 72 R HN 0.279 nan 8.270 nan 0.000 0.457 73 E N 1.570 121.495 120.200 -0.459 0.000 2.580 73 E HA 0.098 4.448 4.350 0.000 0.000 0.248 73 E C -1.559 174.767 176.600 -0.457 0.000 1.018 73 E CA -0.663 55.520 56.400 -0.362 0.000 0.775 73 E CB 1.524 31.071 29.700 -0.256 0.000 1.378 73 E HN 0.315 nan 8.360 nan 0.000 0.401 74 D N 2.521 122.692 120.400 -0.381 0.000 2.336 74 D HA 0.134 4.774 4.640 0.000 0.000 0.249 74 D C -0.578 175.686 176.300 -0.059 0.000 1.213 74 D CA 0.394 54.313 54.000 -0.135 0.000 0.870 74 D CB 0.944 41.843 40.800 0.167 0.000 1.076 74 D HN 0.148 nan 8.370 nan 0.000 0.483 75 T N 1.989 116.508 114.554 -0.058 0.000 2.919 75 T HA 0.545 4.895 4.350 0.000 0.000 0.282 75 T C 1.449 176.065 174.700 -0.139 0.000 1.020 75 T CA -0.066 61.951 62.100 -0.138 0.000 0.994 75 T CB 1.407 70.127 68.868 -0.245 0.000 1.180 75 T HN 0.334 nan 8.240 nan 0.000 0.566 76 A N 0.526 123.204 122.820 -0.238 0.000 1.896 76 A HA -0.165 4.155 4.320 0.000 0.000 0.220 76 A C 1.502 179.016 177.584 -0.117 0.000 1.206 76 A CA 2.477 54.398 52.037 -0.193 0.000 0.647 76 A CB -0.948 17.921 19.000 -0.219 0.000 0.828 76 A HN 0.956 nan 8.150 nan 0.000 0.455 77 Y N -2.107 118.193 120.300 -0.001 0.000 2.563 77 Y HA 0.522 5.072 4.550 0.000 0.000 0.250 77 Y C 0.297 176.339 175.900 0.238 0.000 1.126 77 Y CA -0.554 57.587 58.100 0.068 0.000 1.231 77 Y CB -0.547 37.891 38.460 -0.038 0.000 1.288 77 Y HN 0.360 nan 8.280 nan 0.000 0.537 78 S N -0.876 114.910 115.700 0.145 0.000 2.618 78 S HA 0.638 5.108 4.470 0.000 0.000 0.277 78 S C -1.938 172.855 174.600 0.322 0.000 1.138 78 S CA -0.706 57.718 58.200 0.374 0.000 0.844 78 S CB 2.289 65.717 63.200 0.380 0.000 1.127 78 S HN 0.241 nan 8.310 nan 0.000 0.474 79 Y N 0.672 121.146 120.300 0.290 0.000 2.391 79 Y HA 0.673 5.223 4.550 0.000 0.000 0.341 79 Y C -0.563 175.449 175.900 0.188 0.000 0.965 79 Y CA -0.521 57.708 58.100 0.215 0.000 1.067 79 Y CB 1.772 40.393 38.460 0.269 0.000 1.199 79 Y HN 0.956 nan 8.280 nan 0.000 0.450 80 K N 4.195 124.478 120.400 -0.196 0.000 2.376 80 K HA 0.886 5.206 4.320 0.000 0.000 0.257 80 K C -1.796 174.671 176.600 -0.221 0.000 0.939 80 K CA -0.670 55.547 56.287 -0.116 0.000 0.809 80 K CB 1.200 33.599 32.500 -0.169 0.000 1.121 80 K HN 0.695 nan 8.250 nan 0.000 0.425 81 A N 4.327 127.108 122.820 -0.066 0.000 2.356 81 A HA 0.575 4.895 4.320 0.000 0.000 0.310 81 A C -1.217 176.217 177.584 -0.250 0.000 1.075 81 A CA -0.809 51.102 52.037 -0.210 0.000 0.746 81 A CB 1.244 20.174 19.000 -0.117 0.000 1.221 81 A HN 0.805 nan 8.150 nan 0.000 0.443 82 R N 1.653 121.903 120.500 -0.416 0.000 2.562 82 R HA 0.736 5.076 4.340 0.000 0.000 0.298 82 R C -1.738 174.307 176.300 -0.425 0.000 0.961 82 R CA -0.335 55.618 56.100 -0.245 0.000 0.881 82 R CB 0.984 31.209 30.300 -0.125 0.000 1.159 82 R HN 0.619 nan 8.270 nan 0.000 0.450 83 F N -0.040 119.975 119.950 0.109 0.000 2.593 83 F HA 0.383 4.910 4.527 0.000 0.000 0.320 83 F C 0.209 176.065 175.800 0.093 0.000 1.060 83 F CA -0.835 57.237 58.000 0.119 0.000 0.940 83 F CB 2.472 41.567 39.000 0.158 0.000 1.268 83 F HN 0.244 nan 8.300 nan 0.000 0.475 84 T N 3.386 118.088 114.554 0.247 0.000 3.042 84 T HA 0.294 4.644 4.350 0.000 0.000 0.356 84 T C -0.762 173.910 174.700 -0.047 0.000 1.233 84 T CA -0.321 61.855 62.100 0.126 0.000 1.038 84 T CB 0.081 69.018 68.868 0.115 0.000 1.089 84 T HN 0.351 nan 8.240 nan 0.000 0.531 85 L N 4.414 125.578 121.223 -0.099 0.000 2.385 85 L HA 0.602 4.942 4.340 0.000 0.000 0.281 85 L C 0.097 176.912 176.870 -0.092 0.000 1.106 85 L CA -0.336 54.257 54.840 -0.413 0.000 0.856 85 L CB -0.650 41.289 42.059 -0.200 0.000 1.186 85 L HN 0.581 nan 8.230 nan 0.000 0.453 86 A N 5.333 128.104 122.820 -0.081 0.000 2.271 86 A HA 0.634 4.954 4.320 0.000 0.000 0.317 86 A C -0.535 177.233 177.584 0.308 0.000 1.245 86 A CA -0.579 51.566 52.037 0.179 0.000 0.857 86 A CB 0.970 20.100 19.000 0.216 0.000 1.175 86 A HN 0.503 nan 8.150 nan 0.000 0.512 87 V N 4.094 124.191 119.914 0.306 0.000 2.218 87 V HA 0.335 4.455 4.120 0.000 0.000 0.261 87 V C 1.332 177.537 176.094 0.185 0.000 1.142 87 V CA -0.035 62.479 62.300 0.355 0.000 0.965 87 V CB 0.011 32.080 31.823 0.409 0.000 1.190 87 V HN 1.149 nan 8.190 nan 0.000 0.478 88 G N 3.167 112.009 108.800 0.071 0.000 3.026 88 G HA2 -0.059 3.901 3.960 0.000 0.000 0.232 88 G HA3 -0.059 3.901 3.960 0.000 0.000 0.232 88 G C 0.116 175.015 174.900 -0.001 0.000 1.241 88 G CA -0.214 44.884 45.100 -0.004 0.000 0.858 88 G HN 0.613 nan 8.290 nan 0.000 0.592 89 D N 0.355 120.733 120.400 -0.036 0.000 2.352 89 D HA -0.053 4.587 4.640 0.000 0.000 0.238 89 D C 0.811 177.043 176.300 -0.114 0.000 1.286 89 D CA 0.234 54.204 54.000 -0.050 0.000 0.923 89 D CB 0.233 40.995 40.800 -0.062 0.000 1.146 89 D HN 0.501 nan 8.370 nan 0.000 0.471 90 N N 0.197 118.832 118.700 -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 -0.040 0.000 1.118 90 N CA 1.116 54.078 53.050 -0.147 0.000 0.722 90 N CB -0.585 37.593 38.487 -0.515 0.000 1.050 90 N HN 0.431 nan 8.380 nan 0.000 0.550 91 R N -0.697 119.830 120.500 0.045 0.000 2.808 91 R HA 0.725 5.065 4.340 0.000 0.000 0.272 91 R C -0.384 176.046 176.300 0.218 0.000 0.995 91 R CA -0.916 55.282 56.100 0.162 0.000 0.917 91 R CB 2.346 32.724 30.300 0.131 0.000 1.217 91 R HN -0.002 nan 8.270 nan 0.000 0.471 92 V N -0.588 119.498 119.914 0.285 0.000 2.925 92 V HA 0.718 4.838 4.120 0.000 0.000 0.311 92 V C -1.433 174.777 176.094 0.193 0.000 1.104 92 V CA -1.059 61.361 62.300 0.200 0.000 0.954 92 V CB 2.000 33.893 31.823 0.117 0.000 1.022 92 V HN 0.580 nan 8.190 nan 0.000 0.427 93 L N 2.383 123.624 121.223 0.030 0.000 2.381 93 L HA 0.686 5.026 4.340 0.000 0.000 0.274 93 L C -0.698 176.068 176.870 -0.173 0.000 0.988 93 L CA 0.051 54.764 54.840 -0.211 0.000 0.824 93 L CB 1.644 43.476 42.059 -0.378 0.000 1.263 93 L HN 0.939 nan 8.230 nan 0.000 0.410 94 D N 5.321 125.625 120.400 -0.161 0.000 2.347 94 D HA 0.116 4.756 4.640 0.000 0.000 0.235 94 D C 1.160 177.366 176.300 -0.156 0.000 1.149 94 D CA -0.352 53.582 54.000 -0.111 0.000 0.850 94 D CB 1.151 41.922 40.800 -0.048 0.000 1.061 94 D HN 0.576 nan 8.370 nan 0.000 0.487 95 M N 2.909 122.397 119.600 -0.186 0.000 2.260 95 M HA -0.174 4.306 4.480 0.000 0.000 0.261 95 M C 1.888 178.093 176.300 -0.159 0.000 1.066 95 M CA 0.788 55.953 55.300 -0.224 0.000 1.082 95 M CB -1.181 31.256 32.600 -0.273 0.000 1.388 95 M HN 0.511 nan 8.290 nan 0.000 0.419 96 A N -0.117 122.642 122.820 -0.101 0.000 2.178 96 A HA -0.066 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 1.700 53.713 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 -0.616 115.093 115.700 0.016 0.000 2.597 97 S HA 0.179 4.649 4.470 0.000 0.000 0.224 97 S C 0.617 175.262 174.600 0.075 0.000 0.955 97 S CA 0.309 58.568 58.200 0.098 0.000 0.933 97 S CB -0.881 62.351 63.200 0.052 0.000 0.788 97 S HN 0.598 nan 8.310 nan 0.000 0.488 98 T N -0.148 114.399 114.554 -0.011 0.000 2.945 98 T HA 0.751 5.101 4.350 0.000 0.000 0.286 98 T C -0.745 173.941 174.700 -0.024 0.000 1.025 98 T CA -0.760 61.264 62.100 -0.126 0.000 1.039 98 T CB 1.196 69.931 68.868 -0.222 0.000 1.068 98 T HN 0.696 nan 8.240 nan 0.000 0.497 99 Y N -1.613 118.615 120.300 -0.121 0.000 2.662 99 Y HA 0.630 5.180 4.550 0.000 0.000 0.334 99 Y C -2.065 173.717 175.900 -0.195 0.000 1.185 99 Y CA -2.597 55.409 58.100 -0.156 0.000 1.074 99 Y CB 0.466 39.049 38.460 0.205 0.000 1.330 99 Y HN 0.646 nan 8.280 nan 0.000 0.458 100 F N 1.787 121.923 119.950 0.310 0.000 2.411 100 F HA 0.340 4.867 4.527 0.000 0.000 0.355 100 F C 0.073 176.039 175.800 0.277 0.000 1.117 100 F CA -0.239 57.869 58.000 0.179 0.000 1.139 100 F CB 1.105 40.178 39.000 0.123 0.000 1.120 100 F HN 0.593 nan 8.300 nan 0.000 0.493 101 D N 4.806 125.500 120.400 0.490 0.000 2.317 101 D HA 0.474 5.114 4.640 0.000 0.000 0.234 101 D C -0.764 175.689 176.300 0.254 0.000 1.112 101 D CA -0.060 54.200 54.000 0.434 0.000 0.840 101 D CB 0.701 41.861 40.800 0.599 0.000 1.078 101 D HN 0.309 nan 8.370 nan 0.000 0.486 102 I N 3.753 124.420 120.570 0.162 0.000 2.465 102 I HA 0.474 4.644 4.170 0.000 0.000 0.291 102 I C -0.004 176.149 176.117 0.061 0.000 1.014 102 I CA -0.919 60.395 61.300 0.024 0.000 1.093 102 I CB 1.824 39.742 38.000 -0.136 0.000 1.267 102 I HN 0.176 nan 8.210 nan 0.000 0.431 103 R N 3.926 124.355 120.500 -0.118 0.000 2.561 103 R HA 0.831 5.171 4.340 0.000 0.000 0.297 103 R C -0.325 175.703 176.300 -0.452 0.000 0.969 103 R CA -0.748 55.163 56.100 -0.315 0.000 0.879 103 R CB 2.431 32.538 30.300 -0.322 0.000 1.178 103 R HN 0.881 nan 8.270 nan 0.000 0.445 104 G N 0.704 108.917 108.800 -0.980 0.000 2.634 104 G HA2 0.486 4.446 3.960 0.000 0.000 0.309 104 G HA3 0.486 4.446 3.960 0.000 0.000 0.309 104 G C -1.703 172.697 174.900 -0.832 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 -0.862 175.383 176.094 0.251 0.000 1.043 105 V CA -0.683 61.607 62.300 -0.016 0.000 0.888 105 V CB 1.568 33.378 31.823 -0.021 0.000 0.995 105 V HN 0.859 nan 8.190 nan 0.000 0.429 106 L N 3.206 124.610 121.223 0.301 0.000 2.386 106 L HA 0.808 5.148 4.340 0.000 0.000 0.271 106 L C -1.213 175.698 176.870 0.068 0.000 0.993 106 L CA 0.024 54.972 54.840 0.181 0.000 0.819 106 L CB 2.091 44.230 42.059 0.133 0.000 1.294 106 L HN 0.701 nan 8.230 nan 0.000 0.414 107 D N 2.958 123.357 120.400 -0.002 0.000 2.462 107 D HA 0.337 4.977 4.640 0.000 0.000 0.245 107 D C 0.449 176.653 176.300 -0.161 0.000 1.122 107 D CA -0.367 53.615 54.000 -0.030 0.000 0.864 107 D CB 1.459 42.310 40.800 0.085 0.000 1.098 107 D HN 0.611 nan 8.370 nan 0.000 0.541 108 R N 1.943 122.268 120.500 -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 0.623 56.519 56.100 -0.340 0.000 1.018 108 R CB -0.129 29.775 30.300 -0.660 0.000 0.888 108 R HN 0.656 nan 8.270 nan 0.000 0.471 109 G N 0.399 109.086 108.800 -0.188 0.000 2.796 109 G HA2 -0.187 3.773 3.960 0.000 0.000 0.571 109 G HA3 -0.187 3.773 3.960 0.000 0.000 0.571 109 G C -2.052 172.764 174.900 -0.140 0.000 1.370 109 G CA -0.400 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 0.018 nan 4.420 nan 0.000 0.241 110 P C 1.506 178.657 177.300 -0.247 0.000 1.191 110 P CA 1.965 64.981 63.100 -0.139 0.000 0.771 110 P CB 0.005 31.654 31.700 -0.084 0.000 0.929 111 T N -4.573 109.790 114.554 -0.319 0.000 3.129 111 T HA 0.061 4.411 4.350 0.000 0.000 0.251 111 T C 0.310 174.633 174.700 -0.629 0.000 1.117 111 T CA -0.523 61.151 62.100 -0.709 0.000 1.034 111 T CB -0.966 67.524 68.868 -0.630 0.000 0.968 111 T HN -0.135 nan 8.240 nan 0.000 0.526 112 F N 2.804 122.476 119.950 -0.463 0.000 2.472 112 F HA 0.507 5.034 4.527 0.000 0.000 0.364 112 F C 0.242 175.800 175.800 -0.404 0.000 1.090 112 F CA -1.267 56.508 58.000 -0.376 0.000 1.188 112 F CB 0.515 39.348 39.000 -0.277 0.000 1.105 112 F HN 0.022 nan 8.300 nan 0.000 0.536 113 K N 9.203 128.987 120.400 -1.026 0.000 2.723 113 K HA 0.328 4.648 4.320 0.000 0.000 0.229 113 K C -2.620 173.230 176.600 -1.249 0.000 1.022 113 K CA -1.700 53.923 56.287 -1.106 0.000 1.045 113 K CB 1.350 33.371 32.500 -0.797 0.000 1.227 113 K HN 0.299 nan 8.250 nan 0.000 0.516 114 P HA 0.001 nan 4.420 nan 0.000 0.269 114 P C -1.425 175.658 177.300 -0.361 0.000 1.601 114 P CA 0.200 62.775 63.100 -0.875 0.000 0.831 114 P CB -0.702 30.795 31.700 -0.338 0.000 1.688 115 Y N -5.018 114.978 120.300 -0.507 0.000 2.717 115 Y HA 0.497 5.047 4.550 0.000 0.000 0.345 115 Y C -1.181 174.603 175.900 -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 38.170 38.460 -0.134 0.000 1.360 115 Y HN -0.320 nan 8.280 nan 0.000 0.467 116 S N 1.221 116.996 115.700 0.125 0.000 2.617 116 S HA 0.807 5.277 4.470 0.000 0.000 0.283 116 S C 0.416 175.121 174.600 0.175 0.000 1.189 116 S CA 0.115 58.338 58.200 0.039 0.000 1.036 116 S CB 1.008 64.219 63.200 0.019 0.000 1.014 116 S HN 1.871 nan 8.310 nan 0.000 0.522 117 G N 1.119 109.992 108.800 0.123 0.000 2.568 117 G HA2 -0.079 3.881 3.960 0.000 0.000 0.222 117 G HA3 -0.079 3.881 3.960 0.000 0.000 0.222 117 G C -0.269 174.732 174.900 0.167 0.000 1.321 117 G CA -0.129 45.072 45.100 0.167 0.000 0.893 117 G HN 0.965 nan 8.290 nan 0.000 0.569 118 T N -1.390 113.192 114.554 0.047 0.000 2.916 118 T HA 0.758 5.108 4.350 0.000 0.000 0.292 118 T C 1.086 175.634 174.700 -0.253 0.000 1.055 118 T CA 0.754 62.803 62.100 -0.085 0.000 1.009 118 T CB 1.532 70.182 68.868 -0.365 0.000 1.118 118 T HN 2.064 nan 8.240 nan 0.000 0.497 119 A N 2.114 124.645 122.820 -0.482 0.000 2.238 119 A HA 0.381 4.701 4.320 0.000 0.000 0.210 119 A C -0.416 176.649 177.584 -0.866 0.000 1.179 119 A CA 0.234 51.792 52.037 -0.798 0.000 0.827 119 A CB -0.186 18.154 19.000 -1.101 0.000 0.856 119 A HN 0.751 nan 8.150 nan 0.000 0.488 120 Y N 0.071 120.286 120.300 -0.141 0.000 2.326 120 Y HA 0.365 4.915 4.550 0.000 0.000 0.331 120 Y C 0.090 175.909 175.900 -0.136 0.000 0.962 120 Y CA -1.184 56.860 58.100 -0.093 0.000 1.167 120 Y CB 0.821 39.267 38.460 -0.022 0.000 1.148 120 Y HN 0.248 nan 8.280 nan 0.000 0.463 121 N N 1.095 119.840 118.700 0.075 0.000 2.725 121 N HA -0.233 4.507 4.740 0.000 0.000 0.251 121 N C 0.860 176.408 175.510 0.063 0.000 1.031 121 N CA 0.772 53.868 53.050 0.076 0.000 0.720 121 N CB -0.738 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 -0.232 122.598 122.820 0.017 0.000 2.019 122 A HA -0.031 4.289 4.320 0.000 0.000 0.219 122 A C 2.163 179.911 177.584 0.273 0.000 1.164 122 A CA 0.955 53.067 52.037 0.125 0.000 0.644 122 A CB -0.076 18.955 19.000 0.052 0.000 0.805 122 A HN 0.438 nan 8.150 nan 0.000 0.449 123 L N -0.747 120.579 121.223 0.171 0.000 2.554 123 L HA 0.144 4.484 4.340 0.000 0.000 0.226 123 L C 1.348 178.306 176.870 0.147 0.000 1.137 123 L CA -0.018 54.906 54.840 0.140 0.000 0.863 123 L CB -0.417 41.699 42.059 0.095 0.000 0.985 123 L HN 0.367 nan 8.230 nan 0.000 0.451 124 A N 0.792 123.733 122.820 0.202 0.000 2.401 124 A HA 0.397 4.717 4.320 0.000 0.000 0.259 124 A C -2.169 175.496 177.584 0.136 0.000 1.103 124 A CA -1.151 50.990 52.037 0.174 0.000 0.789 124 A CB -0.349 18.771 19.000 0.200 0.000 1.035 124 A HN -0.052 nan 8.150 nan 0.000 0.491 125 P HA 0.011 nan 4.420 nan 0.000 0.262 125 P C 0.288 177.566 177.300 -0.036 0.000 1.182 125 P CA 0.258 63.360 63.100 0.003 0.000 0.761 125 P CB 0.407 32.120 31.700 0.022 0.000 0.795 126 K N 1.988 122.282 120.400 -0.175 0.000 2.589 126 K HA -0.071 4.249 4.320 0.000 0.000 0.195 126 K C 1.623 178.166 176.600 -0.094 0.000 1.040 126 K CA 1.256 57.386 56.287 -0.262 0.000 0.950 126 K CB -0.341 31.903 32.500 -0.428 0.000 0.781 126 K HN 0.618 nan 8.250 nan 0.000 0.486 127 G N 0.205 108.980 108.800 -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 0.131 175.044 174.900 0.021 0.000 1.071 127 G CA -0.114 44.980 45.100 -0.011 0.000 0.806 127 G HN 0.236 nan 8.290 nan 0.000 0.538 128 A N 2.090 124.938 122.820 0.047 0.000 2.520 128 A HA 0.570 4.890 4.320 0.000 0.000 0.245 128 A C -1.942 175.705 177.584 0.105 0.000 1.072 128 A CA -0.659 51.431 52.037 0.088 0.000 0.761 128 A CB 0.369 19.433 19.000 0.107 0.000 1.004 128 A HN 0.225 nan 8.150 nan 0.000 0.499 129 P HA 0.240 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 -0.878 62.297 63.100 0.124 0.000 0.834 129 P CB 0.991 32.739 31.700 0.079 0.000 1.150 130 N N 0.594 119.381 118.700 0.145 0.000 2.513 130 N HA 0.248 4.988 4.740 0.000 0.000 0.274 130 N C -2.223 173.391 175.510 0.174 0.000 1.189 130 N CA -1.368 51.762 53.050 0.134 0.000 0.975 130 N CB -0.580 37.966 38.487 0.097 0.000 1.157 130 N HN 0.240 nan 8.380 nan 0.000 0.465 131 P HA 0.000 nan 4.420 nan 0.000 0.260 131 P C -0.283 177.118 177.300 0.169 0.000 1.185 131 P CA 0.082 63.255 63.100 0.122 0.000 0.763 131 P CB 0.194 31.917 31.700 0.038 0.000 0.776 132 C N 1.842 121.304 119.300 0.270 0.000 3.307 132 C HA 0.773 5.233 4.460 0.000 0.000 0.350 132 C C -0.928 174.276 174.990 0.358 0.000 1.549 132 C CA -0.801 58.384 59.018 0.279 0.000 1.396 132 C CB 1.828 29.734 27.740 0.276 0.000 1.970 132 C HN 0.511 nan 8.230 nan 0.000 0.441 133 E N -0.754 119.658 120.200 0.355 0.000 2.383 133 E HA 0.667 5.017 4.350 0.000 0.000 0.275 133 E C -1.670 175.185 176.600 0.426 0.000 0.918 133 E CA -0.217 56.357 56.400 0.290 0.000 0.764 133 E CB 2.404 32.170 29.700 0.110 0.000 1.252 133 E HN 0.901 nan 8.360 nan 0.000 0.449 134 W N 0.386 121.751 121.300 0.109 0.000 2.923 134 W HA 0.582 5.242 4.660 0.000 0.000 0.373 134 W C -1.571 175.026 176.519 0.130 0.000 1.205 134 W CA -0.595 56.801 57.345 0.085 0.000 1.180 134 W CB 0.465 29.950 29.460 0.041 0.000 1.477 134 W HN 0.189 nan 8.180 nan 0.000 0.581 166 H N 0.201 118.846 119.070 -0.708 0.000 2.573 166 H HA 0.842 5.398 4.556 0.000 0.000 0.351 166 H C -0.408 174.443 175.328 -0.795 0.000 1.163 166 H CA -0.740 54.801 56.048 -0.846 0.000 1.205 166 H CB 1.449 30.428 29.762 -1.304 0.000 1.605 166 H HN 0.386 nan 8.280 nan 0.000 0.525 167 V N 2.344 122.066 119.914 -0.320 0.000 2.656 167 V HA 0.294 4.414 4.120 0.000 0.000 0.307 167 V C -1.227 174.923 176.094 0.095 0.000 1.051 167 V CA -0.794 61.436 62.300 -0.116 0.000 0.893 167 V CB 1.753 33.472 31.823 -0.173 0.000 0.999 167 V HN 0.639 nan 8.190 nan 0.000 0.426 168 F N 3.660 123.679 119.950 0.115 0.000 2.577 168 F HA 0.850 5.377 4.527 0.000 0.000 0.344 168 F C 0.202 176.054 175.800 0.088 0.000 1.145 168 F CA -0.104 57.994 58.000 0.162 0.000 0.996 168 F CB 1.313 40.512 39.000 0.331 0.000 1.248 168 F HN 0.645 nan 8.300 nan 0.000 0.447 169 G N 4.075 112.625 108.800 -0.416 0.000 2.911 169 G HA2 0.525 4.485 3.960 0.000 0.000 0.299 169 G HA3 0.525 4.485 3.960 0.000 0.000 0.299 169 G C -2.109 172.578 174.900 -0.354 0.000 1.283 169 G CA -0.769 44.141 45.100 -0.317 0.000 0.805 169 G HN 0.632 nan 8.290 nan 0.000 0.548 170 Q N -1.163 118.524 119.800 -0.189 0.000 2.309 170 Q HA 0.610 4.950 4.340 0.000 0.000 0.273 170 Q C -1.720 174.248 176.000 -0.053 0.000 1.040 170 Q CA -0.938 54.786 55.803 -0.132 0.000 0.834 170 Q CB 2.144 30.817 28.738 -0.107 0.000 1.345 170 Q HN 1.070 nan 8.270 nan 0.000 0.414 171 A N 4.691 127.493 122.820 -0.030 0.000 2.431 171 A HA 0.510 4.830 4.320 0.000 0.000 0.318 171 A C -2.251 175.355 177.584 0.037 0.000 1.330 171 A CA -1.211 50.842 52.037 0.026 0.000 0.804 171 A CB 0.762 19.785 19.000 0.038 0.000 1.135 171 A HN 0.732 nan 8.150 nan 0.000 0.483 172 P HA 0.003 nan 4.420 nan 0.000 0.238 172 P C 0.018 177.368 177.300 0.084 0.000 1.183 172 P CA 0.455 63.590 63.100 0.058 0.000 0.813 172 P CB 0.116 31.852 31.700 0.060 0.000 0.944 173 Y N 1.541 121.844 120.300 0.005 0.000 2.335 173 Y HA 0.367 4.917 4.550 0.000 0.000 0.331 173 Y C 0.285 176.198 175.900 0.022 0.000 1.094 173 Y CA -0.399 57.704 58.100 0.004 0.000 1.253 173 Y CB 0.723 39.177 38.460 -0.011 0.000 1.203 173 Y HN -0.212 nan 8.280 nan 0.000 0.508 174 S N 5.098 120.394 115.700 -0.674 0.000 2.420 174 S HA 0.675 5.145 4.470 0.000 0.000 0.313 174 S C 0.020 174.255 174.600 -0.607 0.000 1.079 174 S CA -0.218 57.724 58.200 -0.431 0.000 1.104 174 S CB -0.306 62.735 63.200 -0.266 0.000 0.969 174 S HN 1.054 nan 8.310 nan 0.000 0.471 175 G N 3.526 112.205 108.800 -0.201 0.000 2.552 175 G HA2 0.512 4.472 3.960 0.000 0.000 0.318 175 G HA3 0.512 4.472 3.960 0.000 0.000 0.318 175 G C 0.822 175.697 174.900 -0.042 0.000 1.240 175 G CA -0.811 44.266 45.100 -0.038 0.000 1.002 175 G HN 0.697 nan 8.290 nan 0.000 0.493 176 I N -0.547 119.978 120.570 -0.075 0.000 2.193 176 I HA 0.008 4.178 4.170 0.000 0.000 0.240 176 I C 0.978 176.849 176.117 -0.410 0.000 1.084 176 I CA 1.065 62.264 61.300 -0.169 0.000 1.365 176 I CB 0.064 37.979 38.000 -0.142 0.000 1.064 176 I HN 0.458 nan 8.210 nan 0.000 0.410 177 N N -0.975 117.512 118.700 -0.354 0.000 2.927 177 N HA 0.482 5.222 4.740 0.000 0.000 0.248 177 N C -1.571 173.933 175.510 -0.010 0.000 1.443 177 N CA -0.590 52.151 53.050 -0.514 0.000 0.870 177 N CB 1.672 39.971 38.487 -0.313 0.000 1.444 177 N HN -0.059 nan 8.380 nan 0.000 0.519 178 I N 1.259 121.964 120.570 0.225 0.000 2.447 178 I HA 0.422 4.592 4.170 0.000 0.000 0.287 178 I C -0.160 176.128 176.117 0.286 0.000 1.023 178 I CA -0.514 60.987 61.300 0.336 0.000 1.083 178 I CB 1.820 40.060 38.000 0.399 0.000 1.245 178 I HN 0.712 nan 8.210 nan 0.000 0.434 179 T N 1.105 115.853 114.554 0.323 0.000 2.742 179 T HA 0.360 4.710 4.350 0.000 0.000 0.282 179 T C 0.628 175.401 174.700 0.121 0.000 1.025 179 T CA -0.728 61.477 62.100 0.173 0.000 1.020 179 T CB 1.751 70.734 68.868 0.192 0.000 1.317 179 T HN 0.384 nan 8.240 nan 0.000 0.538 180 K N 0.381 120.737 120.400 -0.074 0.000 2.442 180 K HA 0.001 4.321 4.320 0.000 0.000 0.198 180 K C 1.677 178.301 176.600 0.040 0.000 1.044 180 K CA 1.238 57.457 56.287 -0.114 0.000 0.948 180 K CB -0.381 32.014 32.500 -0.175 0.000 0.762 180 K HN 0.564 nan 8.250 nan 0.000 0.472 181 E N -0.287 119.838 120.200 -0.124 0.000 2.435 181 E HA 0.100 4.450 4.350 0.000 0.000 0.195 181 E C 0.890 177.352 176.600 -0.230 0.000 1.029 181 E CA 0.765 56.895 56.400 -0.450 0.000 0.865 181 E CB 0.227 29.063 29.700 -1.440 0.000 0.833 181 E HN 0.425 nan 8.360 nan 0.000 0.510 182 G N 1.678 110.558 108.800 0.134 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 -0.282 174.881 174.900 0.438 0.000 1.237 182 G CA -0.422 44.816 45.100 0.229 0.000 1.060 182 G HN 0.217 nan 8.290 nan 0.000 0.514 183 I N -1.406 119.418 120.570 0.423 0.000 2.474 183 I HA 0.654 4.824 4.170 0.000 0.000 0.287 183 I C 0.271 176.555 176.117 0.280 0.000 1.048 183 I CA -0.507 61.005 61.300 0.353 0.000 1.383 183 I CB 1.396 39.593 38.000 0.328 0.000 1.412 183 I HN 0.686 nan 8.210 nan 0.000 0.531 184 Q N 6.170 126.028 119.800 0.096 0.000 2.296 184 Q HA 0.344 4.684 4.340 0.000 0.000 0.257 184 Q C 0.536 176.515 176.000 -0.035 0.000 0.942 184 Q CA -0.553 55.138 55.803 -0.186 0.000 0.939 184 Q CB 1.438 29.971 28.738 -0.341 0.000 1.198 184 Q HN 0.933 nan 8.270 nan 0.000 0.429 185 I N 0.558 121.104 120.570 -0.040 0.000 3.793 185 I HA 0.475 4.645 4.170 0.000 0.000 0.315 185 I C 0.630 176.750 176.117 0.005 0.000 1.275 185 I CA 0.206 61.538 61.300 0.054 0.000 1.214 185 I CB 0.243 38.238 38.000 -0.007 0.000 1.018 185 I HN 0.651 nan 8.210 nan 0.000 0.439 186 G N 1.373 110.128 108.800 -0.075 0.000 2.398 186 G HA2 0.357 4.317 3.960 0.000 0.000 0.251 186 G HA3 0.357 4.317 3.960 0.000 0.000 0.251 186 G C -1.157 173.677 174.900 -0.110 0.000 1.277 186 G CA 0.045 45.102 45.100 -0.071 0.000 0.927 186 G HN 0.723 nan 8.290 nan 0.000 0.477 187 V N -3.426 116.445 119.914 -0.071 0.000 2.766 187 V HA 0.592 4.712 4.120 0.000 0.000 0.286 187 V C -0.645 175.430 176.094 -0.031 0.000 1.237 187 V CA -0.815 61.446 62.300 -0.065 0.000 0.934 187 V CB 1.288 33.070 31.823 -0.070 0.000 1.068 187 V HN 0.804 nan 8.190 nan 0.000 0.451 188 E N 3.827 124.016 120.200 -0.018 0.000 1.833 188 E HA 0.397 4.747 4.350 0.000 0.000 0.258 188 E C 1.329 177.927 176.600 -0.003 0.000 1.257 188 E CA 0.996 57.394 56.400 -0.004 0.000 1.003 188 E CB 0.372 30.076 29.700 0.006 0.000 1.068 188 E HN 1.473 nan 8.360 nan 0.000 0.422 189 G N 3.835 112.632 108.800 -0.005 0.000 3.377 189 G HA2 -0.428 3.532 3.960 0.000 0.000 0.304 189 G HA3 -0.428 3.532 3.960 0.000 0.000 0.304 189 G C 0.878 175.775 174.900 -0.006 0.000 1.366 189 G CA 0.414 45.512 45.100 -0.004 0.000 1.020 189 G HN 0.548 nan 8.290 nan 0.000 0.621 190 Q N 0.330 120.128 119.800 -0.003 0.000 2.378 190 Q HA 0.244 4.584 4.340 0.000 0.000 0.229 190 Q C 0.713 176.711 176.000 -0.002 0.000 0.882 190 Q CA 0.799 56.600 55.803 -0.003 0.000 0.936 190 Q CB 0.788 29.527 28.738 0.002 0.000 1.092 190 Q HN 0.545 nan 8.270 nan 0.000 0.535 191 T N 2.549 117.104 114.554 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 -1.390 60.715 62.100 0.008 0.000 1.043 191 T CB 1.242 70.124 68.868 0.024 0.000 1.013 191 T HN -0.143 nan 8.240 nan 0.000 0.518 192 P HA 0.390 nan 4.420 nan 0.000 0.301 192 P C -0.855 176.336 177.300 -0.182 0.000 1.348 192 P CA -0.864 62.153 63.100 -0.139 0.000 0.826 192 P CB 0.723 32.315 31.700 -0.180 0.000 0.945 193 K N 3.356 123.641 120.400 -0.191 0.000 2.234 193 K HA 0.349 4.669 4.320 0.000 0.000 0.282 193 K C -0.318 176.137 176.600 -0.242 0.000 1.039 193 K CA -0.291 55.926 56.287 -0.116 0.000 0.928 193 K CB 0.181 32.648 32.500 -0.055 0.000 1.039 193 K HN 0.425 nan 8.250 nan 0.000 0.470 194 Y N -0.085 120.220 120.300 0.008 0.000 2.487 194 Y HA 0.454 5.004 4.550 0.000 0.000 0.337 194 Y C 0.655 176.531 175.900 -0.039 0.000 1.076 194 Y CA -1.103 57.003 58.100 0.011 0.000 1.115 194 Y CB 1.548 40.030 38.460 0.037 0.000 1.235 194 Y HN 0.620 nan 8.280 nan 0.000 0.468 195 A N 1.504 124.382 122.820 0.096 0.000 2.498 195 A HA 0.050 4.370 4.320 0.000 0.000 0.239 195 A C -0.142 177.353 177.584 -0.149 0.000 1.068 195 A CA -0.286 51.666 52.037 -0.141 0.000 0.766 195 A CB -0.063 18.766 19.000 -0.285 0.000 1.003 195 A HN 0.708 nan 8.150 nan 0.000 0.497 196 D N 2.052 122.252 120.400 -0.333 0.000 2.352 196 D HA 0.097 4.737 4.640 0.000 0.000 0.245 196 D C 1.020 177.135 176.300 -0.308 0.000 1.224 196 D CA -0.008 53.840 54.000 -0.255 0.000 0.879 196 D CB 0.488 41.133 40.800 -0.259 0.000 1.057 196 D HN 0.550 nan 8.370 nan 0.000 0.491 197 K N 1.294 121.644 120.400 -0.085 0.000 2.127 197 K HA -0.238 4.082 4.320 0.000 0.000 0.212 197 K C 1.904 178.482 176.600 -0.036 0.000 1.050 197 K CA 2.090 58.386 56.287 0.015 0.000 0.929 197 K CB -0.256 32.343 32.500 0.165 0.000 0.715 197 K HN 0.566 nan 8.250 nan 0.000 0.457 198 T N -1.073 113.492 114.554 0.017 0.000 2.881 198 T HA -0.168 4.182 4.350 0.000 0.000 0.270 198 T C 1.489 176.285 174.700 0.159 0.000 1.068 198 T CA 1.366 63.527 62.100 0.101 0.000 1.131 198 T CB -0.310 68.658 68.868 0.168 0.000 0.871 198 T HN 0.467 nan 8.240 nan 0.000 0.479 199 F N -0.905 118.986 119.950 -0.100 0.000 3.031 199 F HA 0.529 5.056 4.527 0.000 0.000 0.365 199 F C -0.117 175.573 175.800 -0.184 0.000 1.128 199 F CA -1.202 56.728 58.000 -0.116 0.000 1.068 199 F CB 0.340 39.291 39.000 -0.081 0.000 1.280 199 F HN 0.015 nan 8.300 nan 0.000 0.529 200 Q N 3.850 123.159 119.800 -0.820 0.000 2.342 200 Q HA 0.469 4.809 4.340 0.000 0.000 0.267 200 Q C -2.666 172.803 176.000 -0.884 0.000 1.038 200 Q CA -2.347 52.964 55.803 -0.821 0.000 0.832 200 Q CB 2.525 30.684 28.738 -0.965 0.000 1.323 200 Q HN -0.030 nan 8.270 nan 0.000 0.448 201 P HA 0.026 nan 4.420 nan 0.000 0.274 201 P C -0.970 176.139 177.300 -0.318 0.000 1.256 201 P CA -0.229 62.536 63.100 -0.558 0.000 0.795 201 P CB 0.855 32.276 31.700 -0.465 0.000 1.038 202 E N 1.357 121.430 120.200 -0.211 0.000 2.174 202 E HA 0.176 4.526 4.350 0.000 0.000 0.282 202 E C -1.717 174.873 176.600 -0.017 0.000 0.992 202 E CA -1.791 54.574 56.400 -0.058 0.000 0.803 202 E CB 0.585 30.294 29.700 0.015 0.000 1.090 202 E HN 0.308 nan 8.360 nan 0.000 0.396 203 P HA -0.276 nan 4.420 nan 0.000 0.217 203 P C 0.859 178.184 177.300 0.042 0.000 1.148 203 P CA 1.505 64.620 63.100 0.025 0.000 0.834 203 P CB 0.164 31.881 31.700 0.028 0.000 0.783 204 Q N -1.010 118.816 119.800 0.044 0.000 2.224 204 Q HA -0.017 4.323 4.340 0.000 0.000 0.203 204 Q C 0.723 176.759 176.000 0.060 0.000 0.970 204 Q CA 0.676 56.510 55.803 0.052 0.000 0.865 204 Q CB -0.530 28.238 28.738 0.050 0.000 0.922 204 Q HN 0.287 nan 8.270 nan 0.000 0.445 205 I N 0.821 121.434 120.570 0.071 0.000 2.428 205 I HA 0.536 4.706 4.170 0.000 0.000 0.296 205 I C 0.361 176.553 176.117 0.126 0.000 0.985 205 I CA -0.563 60.800 61.300 0.105 0.000 1.260 205 I CB 1.615 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 3.929 112.786 108.800 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 -0.653 44.481 45.100 0.058 0.000 0.781 206 G HN 0.507 nan 8.290 nan 0.000 0.491 207 E N 0.011 120.193 120.200 -0.030 0.000 2.415 207 E HA 0.170 4.520 4.350 0.000 0.000 0.262 207 E C 0.668 177.234 176.600 -0.057 0.000 1.038 207 E CA 0.139 56.498 56.400 -0.068 0.000 0.921 207 E CB 1.285 30.930 29.700 -0.092 0.000 0.950 207 E HN 0.290 nan 8.360 nan 0.000 0.438 208 S N 1.724 117.378 115.700 -0.076 0.000 2.406 208 S HA -0.092 4.378 4.470 0.000 0.000 0.224 208 S C 0.359 174.903 174.600 -0.093 0.000 1.030 208 S CA 0.503 58.667 58.200 -0.059 0.000 0.958 208 S CB 0.150 63.322 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 0.963 176.743 176.000 -0.368 0.000 0.984 209 Q CA -0.487 55.072 55.803 -0.408 0.000 0.911 209 Q CB 0.027 28.224 28.738 -0.902 0.000 1.217 209 Q HN 0.566 nan 8.270 nan 0.000 0.501 210 W N 0.346 121.456 121.300 -0.318 0.000 2.576 210 W HA 0.062 4.722 4.660 0.000 0.000 0.270 210 W C -0.279 176.177 176.519 -0.106 0.000 1.255 210 W CA -0.323 56.933 57.345 -0.148 0.000 1.314 210 W CB -0.564 28.875 29.460 -0.034 0.000 1.101 210 W HN 0.636 nan 8.180 nan 0.000 0.595 211 Y N 1.559 121.368 120.300 -0.818 0.000 2.304 211 Y HA 0.507 5.057 4.550 0.000 0.000 0.327 211 Y C 0.173 175.893 175.900 -0.300 0.000 1.209 211 Y CA -2.174 55.528 58.100 -0.664 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 1.492 121.727 120.200 0.059 0.000 2.351 212 E HA 0.026 4.376 4.350 0.000 0.000 0.266 212 E C -0.002 176.652 176.600 0.090 0.000 1.031 212 E CA 0.169 56.594 56.400 0.042 0.000 0.911 212 E CB 0.798 30.520 29.700 0.037 0.000 0.986 212 E HN 0.836 nan 8.360 nan 0.000 0.446 213 T N 3.188 117.776 114.554 0.056 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 0.016 0.000 1.053 213 T CA -0.027 62.113 62.100 0.066 0.000 0.964 213 T CB 0.015 68.918 68.868 0.060 0.000 1.005 213 T HN 0.607 nan 8.240 nan 0.000 0.532 214 E N 1.153 121.355 120.200 0.003 0.000 5.234 214 E HA -0.123 4.227 4.350 0.000 0.000 0.170 214 E C -0.878 175.716 176.600 -0.010 0.000 1.556 214 E CA -0.053 56.344 56.400 -0.006 0.000 1.185 214 E CB -1.091 28.606 29.700 -0.006 0.000 1.023 214 E HN 0.519 nan 8.360 nan 0.000 0.337 215 I N 3.028 123.588 120.570 -0.017 0.000 2.416 215 I HA 0.049 4.219 4.170 0.000 0.000 0.288 215 I C 1.538 177.641 176.117 -0.024 0.000 1.051 215 I CA -0.267 61.023 61.300 -0.016 0.000 1.375 215 I CB 0.593 38.578 38.000 -0.025 0.000 1.407 215 I HN 0.415 nan 8.210 nan 0.000 0.516 216 N N 3.507 122.196 118.700 -0.018 0.000 2.402 216 N HA 0.008 4.748 4.740 0.000 0.000 0.174 216 N C -0.130 175.164 175.510 -0.361 0.000 1.027 216 N CA 0.768 53.725 53.050 -0.156 0.000 0.891 216 N CB 0.247 38.653 38.487 -0.135 0.000 1.016 216 N HN 0.566 nan 8.380 nan 0.000 0.439 217 H N -0.088 118.996 119.070 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 0.052 0.000 1.184 217 H CA -0.525 55.555 56.048 0.053 0.000 1.378 217 H CB 1.060 30.856 29.762 0.056 0.000 1.428 217 H HN 0.076 nan 8.280 nan 0.000 0.500 218 A N 2.131 125.027 122.820 0.126 0.000 2.311 218 A HA 0.937 5.257 4.320 0.000 0.000 0.334 218 A C -0.423 177.269 177.584 0.181 0.000 1.139 218 A CA -0.225 51.884 52.037 0.120 0.000 0.830 218 A CB 0.926 19.963 19.000 0.063 0.000 1.234 218 A HN 0.701 nan 8.150 nan 0.000 0.483 219 A N -0.243 122.708 122.820 0.217 0.000 2.527 219 A HA 0.991 5.311 4.320 0.000 0.000 0.293 219 A C -0.089 177.606 177.584 0.185 0.000 1.117 219 A CA -0.115 52.068 52.037 0.244 0.000 0.723 219 A CB 1.636 20.820 19.000 0.307 0.000 1.313 219 A HN 2.428 nan 8.150 nan 0.000 0.411 220 G N -0.240 108.663 108.800 0.172 0.000 2.495 220 G HA2 0.580 4.540 3.960 0.000 0.000 0.294 220 G HA3 0.580 4.540 3.960 0.000 0.000 0.294 220 G C -1.681 173.292 174.900 0.121 0.000 1.397 220 G CA -0.888 44.274 45.100 0.103 0.000 0.790 220 G HN 0.741 nan 8.290 nan 0.000 0.486 221 R N -1.089 119.453 120.500 0.070 0.000 2.711 221 R HA 0.807 5.147 4.340 0.000 0.000 0.284 221 R C -1.159 175.182 176.300 0.068 0.000 0.968 221 R CA -0.849 55.300 56.100 0.082 0.000 0.924 221 R CB 2.516 32.839 30.300 0.037 0.000 1.162 221 R HN 0.508 nan 8.270 nan 0.000 0.465 222 V N 3.204 123.166 119.914 0.080 0.000 3.159 222 V HA 0.505 4.625 4.120 0.000 0.000 0.308 222 V C -1.442 174.697 176.094 0.075 0.000 1.190 222 V CA -0.978 61.365 62.300 0.071 0.000 1.037 222 V CB 2.548 34.412 31.823 0.068 0.000 1.060 222 V HN 0.566 nan 8.190 nan 0.000 0.437 223 L N 4.135 125.408 121.223 0.083 0.000 2.282 223 L HA 0.536 4.876 4.340 0.000 0.000 0.288 223 L C 0.299 177.221 176.870 0.088 0.000 1.033 223 L CA -0.592 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 0.086 0.000 0.992 224 K CA -0.104 56.224 56.287 0.069 0.000 0.927 224 K CB 0.669 33.198 32.500 0.048 0.000 0.956 224 K HN 0.545 nan 8.250 nan 0.000 0.495 225 K N -0.240 120.215 120.400 0.091 0.000 2.442 225 K HA -0.110 4.210 4.320 0.000 0.000 0.198 225 K C 1.136 177.790 176.600 0.090 0.000 1.044 225 K CA 1.672 58.028 56.287 0.116 0.000 0.948 225 K CB -0.220 32.348 32.500 0.115 0.000 0.762 225 K HN 0.618 nan 8.250 nan 0.000 0.472 226 T N -1.879 112.714 114.554 0.065 0.000 3.085 226 T HA -0.009 4.341 4.350 0.000 0.000 0.263 226 T C 0.665 175.392 174.700 0.045 0.000 1.127 226 T CA 0.191 62.321 62.100 0.049 0.000 1.103 226 T CB -0.122 68.767 68.868 0.036 0.000 0.921 226 T HN 0.043 nan 8.240 nan 0.000 0.510 227 T N 5.157 119.742 114.554 0.051 0.000 2.744 227 T HA 0.392 4.742 4.350 0.000 0.000 0.291 227 T C -2.540 172.190 174.700 0.050 0.000 0.957 227 T CA -1.371 60.754 62.100 0.041 0.000 1.002 227 T CB 1.362 70.252 68.868 0.038 0.000 0.919 227 T HN 0.194 nan 8.240 nan 0.000 0.468 228 P HA 0.054 nan 4.420 nan 0.000 0.266 228 P C -0.316 177.006 177.300 0.036 0.000 1.195 228 P CA -0.266 62.854 63.100 0.034 0.000 0.768 228 P CB 0.614 32.327 31.700 0.022 0.000 0.838 229 M N 3.151 122.770 119.600 0.032 0.000 2.217 229 M HA 0.134 4.614 4.480 0.000 0.000 0.354 229 M C 0.209 176.518 176.300 0.015 0.000 1.225 229 M CA 0.628 55.944 55.300 0.028 0.000 1.137 229 M CB 0.276 32.876 32.600 -0.000 0.000 1.576 229 M HN 0.193 nan 8.290 nan 0.000 0.461 230 K N 4.506 124.924 120.400 0.030 0.000 2.527 230 K HA 0.527 4.847 4.320 0.000 0.000 0.260 230 K C -2.750 173.882 176.600 0.054 0.000 0.937 230 K CA -1.801 54.507 56.287 0.035 0.000 0.826 230 K CB 1.698 34.222 32.500 0.039 0.000 1.359 230 K HN 0.297 nan 8.250 nan 0.000 0.434 231 P HA 0.029 nan 4.420 nan 0.000 0.268 231 P C 0.920 178.294 177.300 0.122 0.000 1.208 231 P CA -0.158 62.997 63.100 0.091 0.000 0.777 231 P CB 0.599 32.361 31.700 0.102 0.000 0.875 232 C N 3.327 122.709 119.300 0.137 0.000 2.413 232 C HA -0.165 4.295 4.460 0.000 0.000 0.276 232 C C 1.380 176.475 174.990 0.175 0.000 1.236 232 C CA 0.443 59.546 59.018 0.141 0.000 1.735 232 C CB -1.578 26.247 27.740 0.142 0.000 2.031 232 C HN 0.524 nan 8.230 nan 0.000 0.474 233 Y N 1.208 121.552 120.300 0.073 0.000 2.745 233 Y HA 0.367 4.917 4.550 0.000 0.000 0.335 233 Y C 1.220 177.180 175.900 0.101 0.000 1.212 233 Y CA 1.298 59.446 58.100 0.081 0.000 1.535 233 Y CB -0.056 38.434 38.460 0.051 0.000 1.220 233 Y HN 0.660 nan 8.280 nan 0.000 0.531 234 G N 3.016 111.690 108.800 -0.210 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 0.234 175.194 174.900 0.101 0.000 0.984 234 G CA 0.141 45.209 45.100 -0.053 0.000 0.633 234 G HN 0.716 nan 8.290 nan 0.000 0.525 235 S N 0.223 115.974 115.700 0.084 0.000 2.531 235 S HA 0.558 5.028 4.470 0.000 0.000 0.279 235 S C -0.480 174.108 174.600 -0.021 0.000 1.305 235 S CA 0.067 58.293 58.200 0.043 0.000 1.058 235 S CB 1.004 64.234 63.200 0.048 0.000 0.899 235 S HN 0.752 nan 8.310 nan 0.000 0.493 236 Y N 1.407 121.539 120.300 -0.281 0.000 2.534 236 Y HA 0.626 5.176 4.550 0.000 0.000 0.345 236 Y C -1.101 174.652 175.900 -0.245 0.000 1.031 236 Y CA -0.996 56.826 58.100 -0.464 0.000 1.022 236 Y CB 1.403 39.261 38.460 -1.003 0.000 1.292 236 Y HN 0.668 nan 8.280 nan 0.000 0.459 237 A N 5.696 127.812 122.820 -1.174 0.000 2.485 237 A HA 0.479 4.799 4.320 0.000 0.000 0.285 237 A C -1.457 175.552 177.584 -0.957 0.000 1.045 237 A CA -0.999 50.535 52.037 -0.838 0.000 0.792 237 A CB 0.676 19.456 19.000 -0.366 0.000 1.307 237 A HN 0.803 nan 8.150 nan 0.000 0.406 238 K N 3.309 123.247 120.400 -0.770 0.000 2.485 238 K HA 0.357 4.677 4.320 0.000 0.000 0.277 238 K C -2.360 174.126 176.600 -0.191 0.000 0.990 238 K CA -0.637 55.440 56.287 -0.349 0.000 0.994 238 K CB 0.322 32.771 32.500 -0.084 0.000 0.906 238 K HN 0.355 nan 8.250 nan 0.000 0.488 239 P HA 0.013 nan 4.420 nan 0.000 0.278 239 P C -0.114 177.165 177.300 -0.035 0.000 1.238 239 P CA -0.412 62.654 63.100 -0.056 0.000 0.794 239 P CB 1.314 32.999 31.700 -0.025 0.000 0.955 240 T N -1.737 112.801 114.554 -0.028 0.000 3.092 240 T HA 0.196 4.546 4.350 0.000 0.000 0.258 240 T C 0.228 174.920 174.700 -0.013 0.000 1.031 240 T CA -0.312 61.778 62.100 -0.016 0.000 0.925 240 T CB -0.753 68.109 68.868 -0.011 0.000 1.036 240 T HN 0.595 nan 8.240 nan 0.000 0.544 241 N N -0.696 117.990 118.700 -0.024 0.000 2.484 241 N HA 0.234 4.974 4.740 0.000 0.000 0.269 241 N C 0.171 175.634 175.510 -0.078 0.000 1.237 241 N CA -0.993 52.033 53.050 -0.041 0.000 0.838 241 N CB 1.270 39.740 38.487 -0.029 0.000 1.593 241 N HN -0.007 nan 8.380 nan 0.000 0.485 242 E N -0.166 119.976 120.200 -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 -0.187 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 -0.604 117.918 118.700 -0.296 0.000 2.322 243 N HA 0.039 4.779 4.740 0.000 0.000 0.194 243 N C 0.851 176.206 175.510 -0.258 0.000 1.126 243 N CA 0.831 53.582 53.050 -0.499 0.000 0.845 243 N CB 1.256 38.939 38.487 -1.340 0.000 0.976 243 N HN 0.320 nan 8.380 nan 0.000 0.475 244 G N -0.027 108.702 108.800 -0.119 0.000 2.175 244 G HA2 -0.216 3.744 3.960 0.000 0.000 0.244 244 G HA3 -0.216 3.744 3.960 0.000 0.000 0.244 244 G C 0.501 175.405 174.900 0.007 0.000 0.982 244 G CA -0.080 45.000 45.100 -0.034 0.000 0.641 244 G HN 0.556 nan 8.290 nan 0.000 0.527 245 G N -0.074 108.745 108.800 0.032 0.000 2.544 245 G HA2 0.528 4.488 3.960 0.000 0.000 0.242 245 G HA3 0.528 4.488 3.960 0.000 0.000 0.242 245 G C 0.601 175.504 174.900 0.005 0.000 1.247 245 G CA 0.517 45.651 45.100 0.056 0.000 0.840 245 G HN 1.154 nan 8.290 nan 0.000 0.578 246 Q N 1.397 121.192 119.800 -0.009 0.000 2.233 246 Q HA 0.312 4.652 4.340 0.000 0.000 0.340 246 Q C 1.199 177.183 176.000 -0.026 0.000 0.899 246 Q CA -0.062 55.715 55.803 -0.043 0.000 1.139 246 Q CB 0.701 29.386 28.738 -0.088 0.000 1.273 246 Q HN 0.560 nan 8.270 nan 0.000 0.431 247 G N 1.052 109.851 108.800 -0.002 0.000 2.418 247 G HA2 0.008 3.968 3.960 0.000 0.000 0.217 247 G HA3 0.008 3.968 3.960 0.000 0.000 0.217 247 G C 0.939 175.840 174.900 0.002 0.000 1.158 247 G CA 1.520 46.624 45.100 0.008 0.000 0.771 247 G HN 0.514 nan 8.290 nan 0.000 0.545 248 I N -3.642 116.926 120.570 -0.003 0.000 1.251 248 I HA -0.008 4.162 4.170 0.000 0.000 0.295 248 I C -0.619 175.496 176.117 -0.002 0.000 0.524 248 I CA -0.304 60.994 61.300 -0.004 0.000 3.160 248 I CB -0.118 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 1.128 122.353 121.223 0.003 0.000 3.065 249 L HA 0.007 4.347 4.340 0.000 0.000 0.429 249 L C -0.891 175.982 176.870 0.004 0.000 0.956 249 L CA -0.403 54.439 54.840 0.004 0.000 1.409 249 L CB -0.918 41.142 42.059 0.001 0.000 1.708 249 L HN 0.170 nan 8.230 nan 0.000 0.428 250 V N 0.932 120.849 119.914 0.005 0.000 2.668 250 V HA 0.811 4.931 4.120 0.000 0.000 0.304 250 V C -0.048 176.050 176.094 0.006 0.000 1.071 250 V CA 0.089 62.392 62.300 0.005 0.000 0.894 250 V CB 1.809 33.635 31.823 0.005 0.000 1.008 250 V HN 0.394 nan 8.190 nan 0.000 0.425 251 K N 3.583 123.987 120.400 0.005 0.000 2.972 251 K HA -0.195 4.125 4.320 0.000 0.000 0.853 251 K C 0.683 177.286 176.600 0.006 0.000 2.102 251 K CA 0.698 56.988 56.287 0.005 0.000 1.382 251 K CB -0.720 31.783 32.500 0.005 0.000 2.605 251 K HN 0.939 nan 8.250 nan 0.000 0.218 252 Q N 0.930 120.734 119.800 0.005 0.000 2.331 252 Q HA 0.068 4.408 4.340 0.000 0.000 0.203 252 Q C 0.232 176.234 176.000 0.003 0.000 0.944 252 Q CA 0.896 56.702 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 -1.220 118.582 119.800 0.003 0.000 2.756 253 Q HA 0.190 4.530 4.340 0.000 0.000 0.295 253 Q C -0.870 175.131 176.000 0.003 0.000 0.903 253 Q CA -0.719 55.085 55.803 0.003 0.000 0.768 253 Q CB 1.011 29.751 28.738 0.002 0.000 1.472 253 Q HN 0.052 nan 8.270 nan 0.000 0.416 254 N N -0.324 118.377 118.700 0.002 0.000 1.366 254 N HA -0.262 4.478 4.740 0.000 0.000 0.141 254 N C 0.237 175.749 175.510 0.003 0.000 0.460 254 N CA 2.046 55.097 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 1.517 110.319 108.800 0.003 0.000 2.415 255 G HA2 0.492 4.452 3.960 0.000 0.000 0.269 255 G HA3 0.492 4.452 3.960 0.000 0.000 0.269 255 G C -0.102 174.801 174.900 0.005 0.000 1.209 255 G CA 0.142 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 2.405 122.808 120.400 0.005 0.000 2.568 256 K HA 0.301 4.621 4.320 0.000 0.000 0.273 256 K C -0.567 176.036 176.600 0.006 0.000 0.951 256 K CA -0.818 55.473 56.287 0.006 0.000 0.854 256 K CB 0.874 33.377 32.500 0.006 0.000 1.424 256 K HN 0.336 nan 8.250 nan 0.000 0.427 257 L N 0.897 122.124 121.223 0.007 0.000 2.240 257 L HA 0.036 4.376 4.340 0.000 0.000 0.166 257 L C 1.483 178.359 176.870 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 0.014 0.000 2.683 258 E HA -0.025 4.325 4.350 0.000 0.000 0.266 258 E C 0.689 177.298 176.600 0.016 0.000 1.434 258 E CA 0.282 56.692 56.400 0.018 0.000 1.137 258 E CB 0.363 30.076 29.700 0.023 0.000 0.992 258 E HN 0.573 nan 8.360 nan 0.000 0.607 259 S N -0.716 114.995 115.700 0.019 0.000 2.836 259 S HA 0.182 4.652 4.470 0.000 0.000 0.164 259 S C 0.423 175.033 174.600 0.017 0.000 0.714 259 S CA -0.458 57.752 58.200 0.016 0.000 0.906 259 S CB 0.406 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 -0.962 118.851 119.800 0.022 0.000 2.397 260 Q HA 0.570 4.910 4.340 0.000 0.000 0.384 260 Q C -1.550 174.468 176.000 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 29.653 28.738 0.013 0.000 0.985 260 Q HN 0.645 nan 8.270 nan 0.000 0.456 261 V N 0.202 120.130 119.914 0.024 0.000 2.115 261 V HA -0.023 4.097 4.120 0.000 0.000 0.344 261 V C -1.882 174.211 176.094 -0.000 0.000 1.564 261 V CA -0.628 61.691 62.300 0.032 0.000 0.889 261 V CB 0.634 32.501 31.823 0.073 0.000 1.226 261 V HN 0.751 nan 8.190 nan 0.000 0.228 262 E N 2.002 122.184 120.200 -0.029 0.000 2.313 262 E HA 0.535 4.885 4.350 0.000 0.000 0.280 262 E C -0.969 175.513 176.600 -0.196 0.000 0.898 262 E CA -0.762 55.585 56.400 -0.089 0.000 0.803 262 E CB 1.992 31.657 29.700 -0.058 0.000 1.286 262 E HN 0.647 nan 8.360 nan 0.000 0.401 263 M N 2.147 121.543 119.600 -0.341 0.000 2.248 263 M HA 0.112 4.592 4.480 0.000 0.000 0.337 263 M C -0.104 175.872 176.300 -0.540 0.000 1.121 263 M CA 0.846 55.766 55.300 -0.634 0.000 1.155 263 M CB 0.429 32.508 32.600 -0.868 0.000 1.514 263 M HN 0.330 nan 8.290 nan 0.000 0.452 264 Q N 3.018 122.454 119.800 -0.608 0.000 2.616 264 Q HA 0.373 4.713 4.340 0.000 0.000 0.250 264 Q C -1.498 173.922 176.000 -0.967 0.000 0.991 264 Q CA -0.317 55.128 55.803 -0.596 0.000 0.707 264 Q CB 1.081 29.670 28.738 -0.248 0.000 1.247 264 Q HN 0.482 nan 8.270 nan 0.000 0.491 265 F N 1.640 121.192 119.950 -0.663 0.000 2.506 265 F HA 0.366 4.893 4.527 0.000 0.000 0.351 265 F C 0.178 175.446 175.800 -0.887 0.000 1.136 265 F CA 0.281 57.968 58.000 -0.522 0.000 1.298 265 F CB 0.420 39.254 39.000 -0.277 0.000 1.145 265 F HN 0.310 nan 8.300 nan 0.000 0.593 266 F N -0.140 119.892 119.950 0.137 0.000 2.613 266 F HA 0.512 5.039 4.527 0.000 0.000 0.310 266 F C -0.002 175.828 175.800 0.049 0.000 1.085 266 F CA -0.916 57.119 58.000 0.060 0.000 0.945 266 F CB 1.886 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 -0.595 115.229 115.700 0.207 0.000 2.753 267 S HA 0.614 5.084 4.470 0.000 0.000 0.302 267 S C -0.024 174.628 174.600 0.085 0.000 1.104 267 S CA -0.340 57.925 58.200 0.108 0.000 0.968 267 S CB 1.598 64.834 63.200 0.059 0.000 1.278 267 S HN 0.554 nan 8.310 nan 0.000 0.549 268 T N 0.780 115.360 114.554 0.045 0.000 3.132 268 T HA 0.330 4.680 4.350 0.000 0.000 0.274 268 T C -0.374 174.339 174.700 0.021 0.000 1.011 268 T CA 0.359 62.476 62.100 0.028 0.000 0.899 268 T CB -0.280 68.595 68.868 0.012 0.000 1.089 268 T HN 0.881 nan 8.240 nan 0.000 0.543 269 T N 2.596 117.165 114.554 0.024 0.000 4.385 269 T HA -0.143 4.207 4.350 0.000 0.000 0.330 269 T C -0.158 174.547 174.700 0.010 0.000 0.771 269 T CA 0.430 62.540 62.100 0.017 0.000 1.973 269 T CB -1.585 67.293 68.868 0.016 0.000 1.908 269 T HN 0.550 nan 8.240 nan 0.000 0.933 270 E N 1.492 121.697 120.200 0.007 0.000 2.129 270 E HA 0.513 4.863 4.350 0.000 0.000 0.283 270 E C 0.590 177.190 176.600 0.000 0.000 1.080 270 E CA 0.266 56.667 56.400 0.003 0.000 0.867 270 E CB 0.849 30.550 29.700 0.000 0.000 1.056 270 E HN 0.836 nan 8.360 nan 0.000 0.404 271 A N 2.758 125.578 122.820 0.000 0.000 2.434 271 A HA -0.159 4.161 4.320 0.000 0.000 0.686 271 A C 0.966 178.549 177.584 -0.002 0.000 0.138 271 A CA 0.582 52.618 52.037 -0.002 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 1.137 115.690 114.554 -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 2.096 64.194 62.100 -0.003 0.000 1.143 272 T CB -0.219 68.648 68.868 -0.002 0.000 0.866 272 T HN 2.611 nan 8.240 nan 0.000 0.431 273 A N 1.368 124.184 122.820 -0.006 0.000 2.454 273 A HA 0.546 4.866 4.320 0.000 0.000 0.260 273 A C 0.865 178.443 177.584 -0.010 0.000 1.106 273 A CA 0.028 52.060 52.037 -0.008 0.000 0.780 273 A CB -0.183 18.813 19.000 -0.007 0.000 1.044 273 A HN 0.677 nan 8.150 nan 0.000 0.498 274 G N 2.660 111.453 108.800 -0.013 0.000 2.696 274 G HA2 0.390 4.350 3.960 0.000 0.000 0.329 274 G HA3 0.390 4.350 3.960 0.000 0.000 0.329 274 G C 0.252 175.143 174.900 -0.016 0.000 0.973 274 G CA -0.541 44.550 45.100 -0.016 0.000 1.257 274 G HN 0.781 nan 8.290 nan 0.000 0.456 275 N N 2.385 121.077 118.700 -0.013 0.000 2.518 275 N HA 0.057 4.797 4.740 0.000 0.000 0.230 275 N C 1.694 177.195 175.510 -0.013 0.000 1.022 275 N CA 0.692 53.734 53.050 -0.013 0.000 1.172 275 N CB 0.292 38.773 38.487 -0.010 0.000 1.498 275 N HN 0.396 nan 8.380 nan 0.000 0.602 276 G N 1.165 109.958 108.800 -0.011 0.000 3.228 276 G HA2 0.053 4.013 3.960 0.000 0.000 0.245 276 G HA3 0.053 4.013 3.960 0.000 0.000 0.245 276 G C -0.287 174.607 174.900 -0.010 0.000 1.051 276 G CA -0.163 44.930 45.100 -0.011 0.000 0.809 276 G HN 0.389 nan 8.290 nan 0.000 0.531 277 D N 0.876 121.269 120.400 -0.011 0.000 2.368 277 D HA 0.019 4.659 4.640 0.000 0.000 0.240 277 D C -0.376 175.917 176.300 -0.012 0.000 1.169 277 D CA -0.459 53.535 54.000 -0.009 0.000 0.906 277 D CB 0.584 41.379 40.800 -0.008 0.000 1.187 277 D HN -0.014 nan 8.370 nan 0.000 0.435 278 N N 1.864 120.559 118.700 -0.008 0.000 2.558 278 N HA 0.069 4.809 4.740 0.000 0.000 0.233 278 N C 0.649 176.152 175.510 -0.012 0.000 1.038 278 N CA -0.413 52.631 53.050 -0.009 0.000 0.934 278 N CB 1.182 39.670 38.487 0.002 0.000 1.175 278 N HN 0.433 nan 8.380 nan 0.000 0.512 279 L N 1.088 122.297 121.223 -0.023 0.000 2.740 279 L HA -0.087 4.253 4.340 0.000 0.000 0.242 279 L C 0.529 177.387 176.870 -0.021 0.000 1.175 279 L CA 0.548 55.373 54.840 -0.026 0.000 0.859 279 L CB -1.171 40.861 42.059 -0.044 0.000 0.992 279 L HN 0.511 nan 8.230 nan 0.000 0.454 280 T N -0.201 114.347 114.554 -0.010 0.000 2.657 280 T HA -0.049 4.301 4.350 0.000 0.000 0.245 280 T C -1.894 172.820 174.700 0.022 0.000 1.021 280 T CA -1.087 61.022 62.100 0.014 0.000 1.155 280 T CB -0.383 68.509 68.868 0.040 0.000 1.022 280 T HN 0.204 nan 8.240 nan 0.000 0.477 281 P HA 0.243 nan 4.420 nan 0.000 0.271 281 P C 0.227 177.564 177.300 0.061 0.000 1.233 281 P CA -0.474 62.691 63.100 0.108 0.000 0.789 281 P CB 0.905 32.752 31.700 0.245 0.000 0.951 282 K N -0.678 119.764 120.400 0.071 0.000 2.450 282 K HA 0.306 4.626 4.320 0.000 0.000 0.206 282 K C -0.617 176.015 176.600 0.053 0.000 1.148 282 K CA 0.118 56.403 56.287 -0.004 0.000 1.014 282 K CB 0.846 33.341 32.500 -0.009 0.000 0.966 282 K HN 0.194 nan 8.250 nan 0.000 0.566 283 V N 1.472 121.471 119.914 0.142 0.000 2.823 283 V HA 0.162 4.282 4.120 0.000 0.000 0.296 283 V C -1.166 175.063 176.094 0.225 0.000 1.250 283 V CA -0.943 61.455 62.300 0.163 0.000 0.939 283 V CB 2.137 34.028 31.823 0.113 0.000 1.062 283 V HN -0.259 nan 8.190 nan 0.000 0.433 284 V N 6.220 126.237 119.914 0.170 0.000 2.347 284 V HA 0.517 4.637 4.120 0.000 0.000 0.280 284 V C -0.166 175.984 176.094 0.094 0.000 1.021 284 V CA -0.427 61.892 62.300 0.032 0.000 0.847 284 V CB 1.505 33.302 31.823 -0.043 0.000 0.990 284 V HN 0.628 nan 8.190 nan 0.000 0.444 285 L N 5.206 126.471 121.223 0.070 0.000 2.307 285 L HA 0.495 4.835 4.340 0.000 0.000 0.284 285 L C -0.999 175.861 176.870 -0.017 0.000 1.023 285 L CA -0.656 54.268 54.840 0.141 0.000 0.810 285 L CB 1.388 43.588 42.059 0.235 0.000 1.231 285 L HN 0.554 nan 8.230 nan 0.000 0.423 286 Y N 1.590 121.873 120.300 -0.029 0.000 2.802 286 Y HA 0.140 4.690 4.550 0.000 0.000 0.330 286 Y C 0.988 176.876 175.900 -0.020 0.000 1.193 286 Y CA -0.714 57.355 58.100 -0.052 0.000 1.427 286 Y CB 0.506 38.926 38.460 -0.066 0.000 1.357 286 Y HN 0.541 nan 8.280 nan 0.000 0.501 287 S N 2.144 117.881 115.700 0.061 0.000 2.572 287 S HA 0.473 4.943 4.470 0.000 0.000 0.279 287 S C -0.159 174.475 174.600 0.056 0.000 1.341 287 S CA -0.571 57.665 58.200 0.061 0.000 1.043 287 S CB 1.133 64.359 63.200 0.044 0.000 0.887 287 S HN 0.718 nan 8.310 nan 0.000 0.516 288 E N 0.324 120.555 120.200 0.053 0.000 2.429 288 E HA 0.378 4.728 4.350 0.000 0.000 0.280 288 E C -2.120 174.500 176.600 0.033 0.000 1.068 288 E CA -1.024 55.401 56.400 0.041 0.000 0.837 288 E CB 0.778 30.505 29.700 0.045 0.000 1.357 288 E HN 0.489 nan 8.360 nan 0.000 0.455 289 D N 1.119 121.532 120.400 0.023 0.000 2.217 289 D HA 0.450 5.090 4.640 0.000 0.000 0.243 289 D C -0.483 175.817 176.300 0.001 0.000 1.054 289 D CA -0.307 53.703 54.000 0.016 0.000 0.838 289 D CB 2.151 42.960 40.800 0.015 0.000 1.162 289 D HN 0.434 nan 8.370 nan 0.000 0.472 290 V N -0.739 119.169 119.914 -0.010 0.000 2.914 290 V HA 0.408 4.528 4.120 0.000 0.000 0.314 290 V C 0.100 176.166 176.094 -0.048 0.000 1.084 290 V CA -0.960 61.317 62.300 -0.039 0.000 0.963 290 V CB 2.401 34.190 31.823 -0.058 0.000 1.025 290 V HN 0.325 nan 8.190 nan 0.000 0.432 291 D N 2.853 123.210 120.400 -0.072 0.000 2.671 291 D HA 0.165 4.805 4.640 0.000 0.000 0.228 291 D C 0.118 176.362 176.300 -0.093 0.000 1.102 291 D CA 0.131 54.092 54.000 -0.065 0.000 1.044 291 D CB 0.109 40.871 40.800 -0.063 0.000 1.113 291 D HN 0.700 nan 8.370 nan 0.000 0.480 292 I N 2.406 122.935 120.570 -0.068 0.000 2.618 292 I HA 0.004 4.174 4.170 0.000 0.000 0.284 292 I C 0.220 176.322 176.117 -0.026 0.000 1.146 292 I CA 0.219 61.478 61.300 -0.068 0.000 1.425 292 I CB 0.284 38.265 38.000 -0.033 0.000 1.383 292 I HN 0.269 nan 8.210 nan 0.000 0.562 293 E N 3.862 124.054 120.200 -0.013 0.000 2.408 293 E HA 0.462 4.812 4.350 0.000 0.000 0.275 293 E C -1.306 175.328 176.600 0.056 0.000 0.935 293 E CA -0.922 55.503 56.400 0.042 0.000 0.775 293 E CB 1.735 31.485 29.700 0.084 0.000 1.277 293 E HN 0.456 nan 8.360 nan 0.000 0.455 294 T N -1.005 113.587 114.554 0.065 0.000 3.327 294 T HA 0.314 4.664 4.350 0.000 0.000 0.373 294 T C -1.790 172.965 174.700 0.091 0.000 1.589 294 T CA -1.423 60.725 62.100 0.079 0.000 1.497 294 T CB 0.819 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 0.317 177.665 177.300 0.080 0.000 1.151 295 P CA 1.138 64.288 63.100 0.083 0.000 0.787 295 P CB 0.167 31.909 31.700 0.070 0.000 0.788 296 D N -1.329 119.142 120.400 0.118 0.000 2.563 296 D HA 0.070 4.710 4.640 0.000 0.000 0.237 296 D C 0.206 176.562 176.300 0.093 0.000 1.282 296 D CA -0.246 53.793 54.000 0.065 0.000 0.816 296 D CB -0.319 40.516 40.800 0.058 0.000 1.066 296 D HN 0.142 nan 8.370 nan 0.000 0.501 297 T N -2.673 111.961 114.554 0.133 0.000 2.865 297 T HA 0.625 4.974 4.350 0.000 0.000 0.294 297 T C -0.589 174.245 174.700 0.223 0.000 1.119 297 T CA -0.863 61.344 62.100 0.178 0.000 1.007 297 T CB 2.494 71.444 68.868 0.138 0.000 1.225 297 T HN 0.307 nan 8.240 nan 0.000 0.515 298 H N -0.476 118.625 119.070 0.052 0.000 2.977 298 H HA 0.543 5.099 4.556 0.000 0.000 0.350 298 H C -1.156 174.189 175.328 0.029 0.000 1.238 298 H CA -1.438 54.623 56.048 0.022 0.000 1.124 298 H CB 0.754 30.505 29.762 -0.019 0.000 1.866 298 H HN 0.523 nan 8.280 nan 0.000 0.550 299 I N 2.623 123.199 120.570 0.010 0.000 2.452 299 I HA -0.045 4.125 4.170 0.000 0.000 0.287 299 I C 1.511 177.572 176.117 -0.093 0.000 1.079 299 I CA 0.218 61.487 61.300 -0.052 0.000 1.387 299 I CB 0.985 38.973 38.000 -0.019 0.000 1.404 299 I HN 0.761 nan 8.210 nan 0.000 0.522 300 S N 5.862 121.491 115.700 -0.120 0.000 2.524 300 S HA 0.017 4.487 4.470 0.000 0.000 0.216 300 S C 0.110 174.754 174.600 0.073 0.000 0.987 300 S CA 0.078 58.230 58.200 -0.079 0.000 0.909 300 S CB -0.037 63.086 63.200 -0.127 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 -0.075 0.000 2.294 301 Y HA 0.557 5.107 4.550 0.000 0.000 0.329 301 Y C -1.311 174.560 175.900 -0.047 0.000 1.135 301 Y CA -1.348 56.720 58.100 -0.054 0.000 1.213 301 Y CB 1.017 39.442 38.460 -0.059 0.000 1.141 301 Y HN 0.048 nan 8.280 nan 0.000 0.446 302 M N 9.039 128.320 119.600 -0.532 0.000 2.063 302 M HA 0.334 4.814 4.480 0.000 0.000 0.348 302 M C -1.982 173.883 176.300 -0.726 0.000 1.180 302 M CA -2.625 52.380 55.300 -0.492 0.000 1.059 302 M CB 1.126 33.581 32.600 -0.242 0.000 1.544 302 M HN 0.455 nan 8.290 nan 0.000 0.447 303 P HA -0.017 nan 4.420 nan 0.000 0.214 303 P C -0.141 177.009 177.300 -0.251 0.000 1.162 303 P CA 1.151 63.956 63.100 -0.493 0.000 0.874 303 P CB 0.359 31.892 31.700 -0.279 0.000 0.784 304 T N -1.080 113.355 114.554 -0.199 0.000 2.907 304 T HA 0.343 4.693 4.350 0.000 0.000 0.292 304 T C 0.819 175.453 174.700 -0.110 0.000 1.043 304 T CA -0.530 61.493 62.100 -0.128 0.000 1.003 304 T CB 1.750 70.557 68.868 -0.102 0.000 1.084 304 T HN -0.117 nan 8.240 nan 0.000 0.483 305 I N 0.778 121.301 120.570 -0.078 0.000 2.716 305 I HA 0.129 4.299 4.170 0.000 0.000 0.259 305 I C 0.649 176.738 176.117 -0.048 0.000 1.172 305 I CA 0.506 61.770 61.300 -0.060 0.000 1.478 305 I CB 0.104 38.078 38.000 -0.044 0.000 1.104 305 I HN 0.500 nan 8.210 nan 0.000 0.439 306 K N 2.884 123.256 120.400 -0.046 0.000 2.511 306 K HA -0.039 4.281 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 0.339 56.606 56.287 -0.034 0.000 1.050 306 K CB 0.267 32.747 32.500 -0.032 0.000 0.889 306 K HN 0.311 nan 8.250 nan 0.000 0.484 307 E N 0.674 120.862 120.200 -0.020 0.000 2.371 307 E HA 0.306 4.656 4.350 0.000 0.000 0.257 307 E C 0.257 176.853 176.600 -0.006 0.000 1.134 307 E CA -0.125 56.267 56.400 -0.014 0.000 0.919 307 E CB 0.814 30.511 29.700 -0.005 0.000 1.025 307 E HN 0.711 nan 8.360 nan 0.000 0.438 308 G N 1.476 110.276 108.800 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 -1.006 44.105 45.100 0.017 0.000 0.768 308 G HN 0.450 nan 8.290 nan 0.000 0.629 309 N N 0.521 119.246 118.700 0.043 0.000 2.497 309 N HA 0.574 5.314 4.740 0.000 0.000 0.268 309 N C 0.578 176.111 175.510 0.039 0.000 1.171 309 N CA 0.712 53.785 53.050 0.039 0.000 0.948 309 N CB 1.448 40.005 38.487 0.117 0.000 1.069 309 N HN 1.276 nan 8.380 nan 0.000 0.460 310 S N 0.472 116.082 115.700 -0.151 0.000 2.638 310 S HA 0.410 4.880 4.470 0.000 0.000 0.274 310 S C 0.820 174.917 174.600 -0.837 0.000 1.157 310 S CA -0.971 57.043 58.200 -0.309 0.000 0.826 310 S CB 2.391 65.498 63.200 -0.156 0.000 1.139 310 S HN 0.590 nan 8.310 nan 0.000 0.474 311 R N 0.465 120.331 120.500 -1.057 0.000 2.105 311 R HA -0.104 4.236 4.340 0.000 0.000 0.239 311 R C 1.423 177.363 176.300 -0.601 0.000 1.135 311 R CA 1.782 57.224 56.100 -1.096 0.000 0.967 311 R CB -0.362 29.621 30.300 -0.530 0.000 0.861 311 R HN 0.731 nan 8.270 nan 0.000 0.442 312 E N 0.927 120.898 120.200 -0.381 0.000 2.070 312 E HA -0.232 4.118 4.350 0.000 0.000 0.197 312 E C 2.010 178.463 176.600 -0.244 0.000 1.004 312 E CA 1.156 57.408 56.400 -0.247 0.000 0.805 312 E CB -0.336 29.260 29.700 -0.174 0.000 0.744 312 E HN 0.445 nan 8.360 nan 0.000 0.451 313 L N 0.287 121.349 121.223 -0.269 0.000 2.450 313 L HA -0.083 4.257 4.340 0.000 0.000 0.224 313 L C 2.391 179.135 176.870 -0.211 0.000 1.149 313 L CA 0.421 55.133 54.840 -0.214 0.000 0.816 313 L CB -0.294 41.657 42.059 -0.180 0.000 0.932 313 L HN 0.144 nan 8.230 nan 0.000 0.449 314 M N -1.023 118.396 119.600 -0.302 0.000 2.557 314 M HA -0.049 4.431 4.480 0.000 0.000 0.259 314 M C 1.706 177.902 176.300 -0.174 0.000 1.086 314 M CA 1.063 56.195 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 0.344 109.070 108.800 -0.124 0.000 3.189 315 G HA2 0.047 4.007 3.960 0.000 0.000 0.225 315 G HA3 0.047 4.007 3.960 0.000 0.000 0.225 315 G C 0.330 175.291 174.900 0.102 0.000 1.159 315 G CA -0.397 44.694 45.100 -0.014 0.000 0.763 315 G HN 0.554 nan 8.290 nan 0.000 0.549 316 Q N 0.043 119.854 119.800 0.019 0.000 2.340 316 Q HA 0.479 4.819 4.340 0.000 0.000 0.249 316 Q C -0.783 175.260 176.000 0.071 0.000 0.957 316 Q CA -0.175 55.651 55.803 0.039 0.000 0.882 316 Q CB 0.937 29.638 28.738 -0.062 0.000 1.235 316 Q HN 0.224 nan 8.270 nan 0.000 0.439 317 Q N 1.014 120.875 119.800 0.103 0.000 2.345 317 Q HA 0.502 4.842 4.340 0.000 0.000 0.268 317 Q C -1.234 174.764 176.000 -0.004 0.000 1.054 317 Q CA -0.738 55.088 55.803 0.038 0.000 0.835 317 Q CB 2.488 31.240 28.738 0.023 0.000 1.339 317 Q HN 0.716 nan 8.270 nan 0.000 0.447 318 S N 1.662 117.352 115.700 -0.016 0.000 2.537 318 S HA 0.779 5.249 4.470 0.000 0.000 0.301 318 S C -1.092 173.466 174.600 -0.070 0.000 1.092 318 S CA -0.629 57.577 58.200 0.009 0.000 1.048 318 S CB 0.856 64.176 63.200 0.199 0.000 1.053 318 S HN 0.635 nan 8.310 nan 0.000 0.501 319 M N 5.013 124.537 119.600 -0.127 0.000 2.433 319 M HA 0.536 5.016 4.480 0.000 0.000 0.290 319 M C -2.773 173.527 176.300 0.001 0.000 1.173 319 M CA -2.137 53.077 55.300 -0.144 0.000 0.905 319 M CB 2.519 34.917 32.600 -0.337 0.000 1.692 319 M HN 0.409 nan 8.290 nan 0.000 0.462 320 P HA 0.082 nan 4.420 nan 0.000 0.271 320 P C -1.215 176.196 177.300 0.184 0.000 1.216 320 P CA -0.064 63.156 63.100 0.200 0.000 0.776 320 P CB 0.330 32.152 31.700 0.205 0.000 0.881 321 N N 2.663 121.462 118.700 0.166 0.000 2.453 321 N HA 0.077 4.817 4.740 0.000 0.000 0.253 321 N C 0.627 176.110 175.510 -0.044 0.000 1.252 321 N CA 0.038 53.144 53.050 0.093 0.000 0.917 321 N CB 0.176 38.708 38.487 0.073 0.000 1.117 321 N HN 0.296 nan 8.380 nan 0.000 0.442 322 R N 1.823 122.243 120.500 -0.132 0.000 2.570 322 R HA 0.113 4.453 4.340 0.000 0.000 0.277 322 R C -1.875 174.317 176.300 -0.180 0.000 1.039 322 R CA -0.904 55.072 56.100 -0.208 0.000 1.065 322 R CB -0.073 30.033 30.300 -0.324 0.000 0.964 322 R HN 0.429 nan 8.270 nan 0.000 0.428 323 P HA 0.005 nan 4.420 nan 0.000 0.271 323 P C -0.963 176.173 177.300 -0.274 0.000 1.218 323 P CA -0.110 62.765 63.100 -0.375 0.000 0.780 323 P CB 0.653 32.127 31.700 -0.376 0.000 0.901 324 N N 1.753 120.198 118.700 -0.424 0.000 2.629 324 N HA 0.212 4.952 4.740 0.000 0.000 0.277 324 N C -1.766 173.580 175.510 -0.274 0.000 1.188 324 N CA -0.410 52.505 53.050 -0.224 0.000 0.835 324 N CB 0.165 38.580 38.487 -0.121 0.000 1.420 324 N HN 0.143 nan 8.380 nan 0.000 0.542 325 Y N 2.751 123.083 120.300 0.053 0.000 2.319 325 Y HA 0.481 5.031 4.550 0.000 0.000 0.328 325 Y C 0.578 176.585 175.900 0.178 0.000 1.133 325 Y CA -0.106 58.090 58.100 0.160 0.000 1.265 325 Y CB 0.914 39.458 38.460 0.140 0.000 1.218 325 Y HN 0.308 nan 8.280 nan 0.000 0.508 326 I N 2.921 123.731 120.570 0.400 0.000 2.533 326 I HA 0.773 4.943 4.170 0.000 0.000 0.290 326 I C -0.456 175.619 176.117 -0.070 0.000 1.056 326 I CA -0.691 60.657 61.300 0.081 0.000 1.057 326 I CB 1.748 39.722 38.000 -0.043 0.000 1.240 326 I HN 0.721 nan 8.210 nan 0.000 0.423 327 A N 4.713 127.464 122.820 -0.114 0.000 2.536 327 A HA 0.743 5.063 4.320 0.000 0.000 0.293 327 A C -1.536 175.941 177.584 -0.178 0.000 1.119 327 A CA -0.552 51.380 52.037 -0.176 0.000 0.654 327 A CB 0.778 19.759 19.000 -0.031 0.000 1.291 327 A HN 0.395 nan 8.150 nan 0.000 0.439 328 F N 1.291 121.221 119.950 -0.033 0.000 2.444 328 F HA 0.474 5.001 4.527 0.000 0.000 0.331 328 F C 1.546 177.327 175.800 -0.031 0.000 1.167 328 F CA 0.480 58.491 58.000 0.017 0.000 1.262 328 F CB 0.666 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 0.325 120.957 120.500 0.220 0.000 2.649 329 R HA 0.105 4.445 4.340 0.000 0.000 0.270 329 R C -0.698 175.580 176.300 -0.036 0.000 1.105 329 R CA -0.831 55.319 56.100 0.083 0.000 1.193 329 R CB 0.179 30.546 30.300 0.112 0.000 1.120 329 R HN 0.507 nan 8.270 nan 0.000 0.561 330 D N 0.789 121.168 120.400 -0.034 0.000 2.487 330 D HA -0.082 4.558 4.640 0.000 0.000 0.243 330 D C -0.317 175.949 176.300 -0.057 0.000 1.154 330 D CA 0.910 54.870 54.000 -0.066 0.000 0.876 330 D CB -0.025 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 2.764 121.389 118.700 -0.125 0.000 2.714 331 N HA -0.285 4.455 4.740 0.000 0.000 0.250 331 N C -0.230 175.301 175.510 0.034 0.000 1.117 331 N CA 0.478 53.509 53.050 -0.032 0.000 0.719 331 N CB -1.533 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 -1.926 118.067 119.950 0.072 0.000 3.091 332 F HA -0.271 4.256 4.527 0.000 0.000 0.288 332 F C 0.526 176.373 175.800 0.079 0.000 0.907 332 F CA 0.079 58.111 58.000 0.054 0.000 1.028 332 F CB -1.457 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 0.830 121.517 120.570 0.196 0.000 2.775 333 I HA 0.105 4.275 4.170 0.000 0.000 0.290 333 I C 1.559 177.788 176.117 0.187 0.000 1.203 333 I CA 1.584 62.986 61.300 0.172 0.000 1.433 333 I CB 0.332 38.402 38.000 0.118 0.000 1.354 333 I HN 0.554 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 0.871 175.819 174.900 0.079 0.000 1.010 334 G CA 0.314 45.479 45.100 0.109 0.000 0.618 334 G HN 0.567 nan 8.290 nan 0.000 0.516 335 L N 0.021 121.338 121.223 0.155 0.000 2.046 335 L HA 0.254 4.594 4.340 0.000 0.000 0.208 335 L C 1.777 178.688 176.870 0.068 0.000 1.077 335 L CA 1.254 56.199 54.840 0.174 0.000 0.747 335 L CB -0.161 42.008 42.059 0.184 0.000 0.896 335 L HN 0.414 nan 8.230 nan 0.000 0.432 336 M N -1.965 117.595 119.600 -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 -0.506 54.592 55.300 -0.337 0.000 1.038 336 M CB 1.636 33.909 32.600 -0.545 0.000 1.641 336 M HN -0.198 nan 8.290 nan 0.000 0.455 337 Y N 1.633 121.763 120.300 -0.283 0.000 2.335 337 Y HA 0.293 4.843 4.550 0.000 0.000 0.331 337 Y C -0.918 174.835 175.900 -0.245 0.000 1.094 337 Y CA 0.543 58.532 58.100 -0.186 0.000 1.253 337 Y CB 0.456 38.803 38.460 -0.188 0.000 1.203 337 Y HN 0.393 nan 8.280 nan 0.000 0.508 338 Y N 0.803 121.272 120.300 0.281 0.000 2.562 338 Y HA 0.227 4.777 4.550 0.000 0.000 0.345 338 Y C -0.229 175.788 175.900 0.194 0.000 1.045 338 Y CA -2.264 55.987 58.100 0.252 0.000 1.028 338 Y CB 1.414 40.046 38.460 0.287 0.000 1.297 338 Y HN 0.634 nan 8.280 nan 0.000 0.463 339 N N 0.585 119.495 118.700 0.350 0.000 2.699 339 N HA -0.193 4.547 4.740 0.000 0.000 0.256 339 N C -0.932 174.676 175.510 0.163 0.000 0.993 339 N CA 1.075 54.270 53.050 0.241 0.000 0.759 339 N CB -1.168 37.482 38.487 0.272 0.000 0.906 339 N HN 0.450 nan 8.380 nan 0.000 0.541 340 S N -0.759 114.999 115.700 0.096 0.000 2.386 340 S HA 0.184 4.654 4.470 0.000 0.000 0.152 340 S C 1.464 176.036 174.600 -0.046 0.000 1.511 340 S CA -0.138 58.094 58.200 0.054 0.000 1.246 340 S CB 0.979 64.263 63.200 0.141 0.000 1.338 340 S HN 0.452 nan 8.310 nan 0.000 0.409 341 T N 0.499 115.027 114.554 -0.043 0.000 2.731 341 T HA -0.293 4.057 4.350 0.000 0.000 0.263 341 T C 2.080 176.709 174.700 -0.118 0.000 1.033 341 T CA 2.130 64.183 62.100 -0.079 0.000 1.160 341 T CB -1.095 67.742 68.868 -0.051 0.000 0.849 341 T HN 0.638 nan 8.240 nan 0.000 0.469 342 G N 2.899 111.635 108.800 -0.107 0.000 2.553 342 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 342 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 342 G C 0.932 175.692 174.900 -0.234 0.000 1.195 342 G CA 0.920 45.938 45.100 -0.137 0.000 0.779 342 G HN 0.707 nan 8.290 nan 0.000 0.577 343 N N 0.459 118.949 118.700 -0.350 0.000 3.012 343 N HA 0.267 5.007 4.740 0.000 0.000 0.270 343 N C -0.729 174.498 175.510 -0.472 0.000 1.469 343 N CA -0.180 52.570 53.050 -0.500 0.000 0.928 343 N CB 1.169 39.090 38.487 -0.945 0.000 1.219 343 N HN 0.259 nan 8.380 nan 0.000 0.492 344 M N 1.147 120.504 119.600 -0.406 0.000 2.185 344 M HA 0.271 4.751 4.480 0.000 0.000 0.357 344 M C 0.808 176.681 176.300 -0.711 0.000 1.260 344 M CA -0.222 54.790 55.300 -0.480 0.000 1.124 344 M CB 0.746 33.146 32.600 -0.333 0.000 1.600 344 M HN 0.338 nan 8.290 nan 0.000 0.467 345 G N 3.168 111.233 108.800 -1.225 0.000 2.750 345 G HA2 0.408 4.368 3.960 0.000 0.000 0.250 345 G HA3 0.408 4.368 3.960 0.000 0.000 0.250 345 G C -1.106 173.354 174.900 -0.733 0.000 1.230 345 G CA -0.588 43.459 45.100 -1.755 0.000 0.883 345 G HN 0.653 nan 8.290 nan 0.000 0.573 346 V N 0.323 120.055 119.914 -0.303 0.000 2.668 346 V HA 0.482 4.602 4.120 0.000 0.000 0.304 346 V C -0.966 175.316 176.094 0.313 0.000 1.071 346 V CA -0.572 61.737 62.300 0.014 0.000 0.894 346 V CB 1.670 33.488 31.823 -0.008 0.000 1.008 346 V HN 0.699 nan 8.190 nan 0.000 0.425 347 L N 4.727 126.106 121.223 0.259 0.000 2.504 347 L HA 0.958 5.298 4.340 0.000 0.000 0.265 347 L C -0.400 176.581 176.870 0.185 0.000 0.975 347 L CA -0.046 54.951 54.840 0.261 0.000 0.864 347 L CB 1.290 43.459 42.059 0.184 0.000 1.212 347 L HN 0.880 nan 8.230 nan 0.000 0.416 348 A N 2.963 125.910 122.820 0.210 0.000 2.549 348 A HA 0.843 5.163 4.320 0.000 0.000 0.297 348 A C -0.200 177.530 177.584 0.243 0.000 1.061 348 A CA -0.200 51.956 52.037 0.197 0.000 0.690 348 A CB 1.280 20.357 19.000 0.129 0.000 1.287 348 A HN 0.903 nan 8.150 nan 0.000 0.402 349 G N -0.168 108.765 108.800 0.221 0.000 2.442 349 G HA2 0.397 4.357 3.960 0.000 0.000 0.249 349 G HA3 0.397 4.357 3.960 0.000 0.000 0.249 349 G C 0.401 175.301 174.900 -0.000 0.000 1.263 349 G CA -0.080 45.056 45.100 0.061 0.000 0.846 349 G HN 0.842 nan 8.290 nan 0.000 0.555 350 Q N 1.371 121.126 119.800 -0.075 0.000 2.050 350 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 350 Q C 2.961 178.945 176.000 -0.028 0.000 0.980 350 Q CA 1.741 57.522 55.803 -0.036 0.000 0.840 350 Q CB -0.110 28.596 28.738 -0.053 0.000 0.898 350 Q HN 0.712 nan 8.270 nan 0.000 0.424 351 A N 0.057 122.849 122.820 -0.048 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 1.767 53.788 52.037 -0.028 0.000 0.623 351 A CB -0.742 18.235 19.000 -0.039 0.000 0.818 351 A HN 0.336 nan 8.150 nan 0.000 0.443 352 S N -1.745 113.962 115.700 0.012 0.000 2.368 352 S HA -0.227 4.243 4.470 0.000 0.000 0.224 352 S C 1.571 176.195 174.600 0.041 0.000 1.029 352 S CA 2.098 60.323 58.200 0.041 0.000 0.988 352 S CB -0.175 63.068 63.200 0.071 0.000 0.838 352 S HN 0.810 nan 8.310 nan 0.000 0.462 353 Q N -0.583 119.240 119.800 0.039 0.000 2.177 353 Q HA -0.208 4.132 4.340 0.000 0.000 0.174 353 Q C -0.246 175.781 176.000 0.045 0.000 0.609 353 Q CA 1.301 57.126 55.803 0.035 0.000 1.453 353 Q CB -2.014 26.737 28.738 0.020 0.000 1.591 353 Q HN 0.487 nan 8.270 nan 0.000 0.818 354 L N 2.434 123.693 121.223 0.059 0.000 2.367 354 L HA 0.355 4.695 4.340 0.000 0.000 0.275 354 L C 0.039 176.959 176.870 0.083 0.000 1.129 354 L CA 0.663 55.543 54.840 0.067 0.000 0.839 354 L CB 0.494 42.600 42.059 0.079 0.000 1.133 354 L HN 0.513 nan 8.230 nan 0.000 0.453 355 N N 3.113 121.855 118.700 0.069 0.000 2.420 355 N HA 0.141 4.881 4.740 0.000 0.000 0.262 355 N C 0.854 176.435 175.510 0.119 0.000 1.144 355 N CA 0.133 53.229 53.050 0.076 0.000 0.952 355 N CB 1.156 39.658 38.487 0.024 0.000 1.081 355 N HN 0.782 nan 8.380 nan 0.000 0.480 356 A N 3.727 126.638 122.820 0.152 0.000 2.119 356 A HA 0.042 4.362 4.320 0.000 0.000 0.217 356 A C 0.619 178.386 177.584 0.305 0.000 1.153 356 A CA 0.448 52.611 52.037 0.210 0.000 0.692 356 A CB 0.206 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 1.008 121.041 119.914 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 -0.021 0.000 1.043 357 V CA -0.186 62.204 62.300 0.151 0.000 0.915 357 V CB 1.251 33.063 31.823 -0.018 0.000 0.988 357 V HN 0.085 nan 8.190 nan 0.000 0.466 358 V N 4.458 124.286 119.914 -0.145 0.000 2.419 358 V HA 0.441 4.561 4.120 0.000 0.000 0.287 358 V C -0.555 175.367 176.094 -0.286 0.000 1.017 358 V CA -0.549 61.523 62.300 -0.380 0.000 0.844 358 V CB 1.647 33.019 31.823 -0.751 0.000 1.011 358 V HN 0.824 nan 8.190 nan 0.000 0.429 359 D N 3.311 123.618 120.400 -0.155 0.000 2.326 359 D HA 0.770 5.410 4.640 0.000 0.000 0.248 359 D C -0.861 175.462 176.300 0.038 0.000 1.001 359 D CA -0.269 53.742 54.000 0.019 0.000 0.961 359 D CB 2.246 43.005 40.800 -0.068 0.000 1.183 359 D HN 0.350 nan 8.370 nan 0.000 0.502 360 L N 0.998 122.301 121.223 0.133 0.000 2.388 360 L HA 0.325 4.665 4.340 0.000 0.000 0.264 360 L C 0.917 177.865 176.870 0.130 0.000 0.998 360 L CA -0.687 54.217 54.840 0.107 0.000 0.817 360 L CB 2.200 44.334 42.059 0.125 0.000 1.338 360 L HN 0.372 nan 8.230 nan 0.000 0.414 361 Q N -1.185 118.672 119.800 0.094 0.000 2.415 361 Q HA -0.039 4.301 4.340 0.000 0.000 0.206 361 Q C 0.287 176.356 176.000 0.116 0.000 0.946 361 Q CA 0.551 56.416 55.803 0.102 0.000 0.951 361 Q CB 0.186 28.959 28.738 0.059 0.000 1.026 361 Q HN 0.579 nan 8.270 nan 0.000 0.510 362 D N 0.677 121.151 120.400 0.123 0.000 2.354 362 D HA 0.039 4.679 4.640 0.000 0.000 0.209 362 D C -0.073 176.323 176.300 0.160 0.000 1.015 362 D CA 0.057 54.133 54.000 0.127 0.000 0.867 362 D CB 0.401 41.266 40.800 0.107 0.000 0.933 362 D HN 0.238 nan 8.370 nan 0.000 0.520 363 R N 0.312 120.923 120.500 0.185 0.000 2.573 363 R HA 0.302 4.642 4.340 0.000 0.000 0.272 363 R C -0.711 175.714 176.300 0.208 0.000 1.009 363 R CA -0.518 55.699 56.100 0.195 0.000 1.059 363 R CB 0.682 31.135 30.300 0.255 0.000 1.112 363 R HN -0.202 nan 8.270 nan 0.000 0.517 364 N N 1.250 120.042 118.700 0.153 0.000 2.746 364 N HA 0.127 4.867 4.740 0.000 0.000 0.250 364 N C -0.378 175.171 175.510 0.065 0.000 1.146 364 N CA -0.189 52.921 53.050 0.101 0.000 0.828 364 N CB 1.427 39.900 38.487 -0.024 0.000 1.158 364 N HN 0.572 nan 8.380 nan 0.000 0.519 365 T N 0.908 115.518 114.554 0.094 0.000 2.746 365 T HA -0.079 4.271 4.350 0.000 0.000 0.267 365 T C 1.353 176.005 174.700 -0.081 0.000 1.039 365 T CA 1.115 63.208 62.100 -0.012 0.000 1.142 365 T CB 0.208 68.986 68.868 -0.151 0.000 0.866 365 T HN 0.443 nan 8.240 nan 0.000 0.444 366 E N 0.870 121.039 120.200 -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 0.013 0.000 0.991 366 E CA 0.829 57.224 56.400 -0.008 0.000 0.799 366 E CB -0.483 29.254 29.700 0.062 0.000 0.748 366 E HN 0.300 nan 8.360 nan 0.000 0.449 367 L N 1.083 122.283 121.223 -0.038 0.000 2.093 367 L HA -0.095 4.245 4.340 0.000 0.000 0.208 367 L C 2.483 179.339 176.870 -0.024 0.000 1.085 367 L CA 1.669 56.469 54.840 -0.066 0.000 0.755 367 L CB -0.688 41.312 42.059 -0.098 0.000 0.904 367 L HN -0.019 nan 8.230 nan 0.000 0.435 368 S N -1.682 114.029 115.700 0.017 0.000 2.383 368 S HA -0.304 4.166 4.470 0.000 0.000 0.229 368 S C 2.110 176.743 174.600 0.054 0.000 1.030 368 S CA 1.603 59.842 58.200 0.065 0.000 1.002 368 S CB -0.597 62.638 63.200 0.059 0.000 0.829 368 S HN 0.650 nan 8.310 nan 0.000 0.467 369 Y N 1.393 121.641 120.300 -0.086 0.000 2.314 369 Y HA -0.013 4.537 4.550 0.000 0.000 0.293 369 Y C 2.570 178.401 175.900 -0.115 0.000 1.129 369 Y CA 1.508 59.539 58.100 -0.113 0.000 1.201 369 Y CB -0.143 38.244 38.460 -0.122 0.000 0.999 369 Y HN 0.266 nan 8.280 nan 0.000 0.541 370 Q N 0.248 120.037 119.800 -0.019 0.000 2.046 370 Q HA -0.163 4.177 4.340 0.000 0.000 0.200 370 Q C 2.340 178.260 176.000 -0.134 0.000 0.975 370 Q CA 1.673 57.433 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 0.262 121.374 121.223 -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 0.360 55.109 54.840 -0.150 0.000 0.770 371 L CB -0.489 41.588 42.059 0.030 0.000 0.914 371 L HN 0.184 nan 8.230 nan 0.000 0.439 372 L N 0.181 120.997 121.223 -0.677 0.000 2.017 372 L HA -0.204 4.136 4.340 0.000 0.000 0.208 372 L C 2.354 178.866 176.870 -0.596 0.000 1.073 372 L CA 1.733 55.962 54.840 -1.017 0.000 0.745 372 L CB -0.394 41.251 42.059 -0.691 0.000 0.894 372 L HN 0.090 nan 8.230 nan 0.000 0.432 373 L N -0.455 120.483 121.223 -0.475 0.000 2.083 373 L HA -0.229 4.111 4.340 0.000 0.000 0.209 373 L C 2.280 179.056 176.870 -0.157 0.000 1.083 373 L CA 1.626 56.279 54.840 -0.311 0.000 0.752 373 L CB -0.757 41.133 42.059 -0.281 0.000 0.899 373 L HN 0.398 nan 8.230 nan 0.000 0.433 374 D N -0.375 119.976 120.400 -0.081 0.000 2.178 374 D HA -0.176 4.464 4.640 0.000 0.000 0.201 374 D C 2.234 178.521 176.300 -0.023 0.000 0.980 374 D CA 1.353 55.357 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 -0.290 115.352 115.700 -0.095 0.000 2.470 375 S HA -0.072 4.398 4.470 0.000 0.000 0.225 375 S C 1.940 176.518 174.600 -0.037 0.000 1.006 375 S CA 0.538 58.713 58.200 -0.042 0.000 0.934 375 S CB -0.623 62.545 63.200 -0.054 0.000 0.778 375 S HN 0.545 nan 8.310 nan 0.000 0.517 376 I N -2.023 118.494 120.570 -0.088 0.000 3.941 376 I HA 0.653 4.823 4.170 0.000 0.000 0.335 376 I C 0.615 176.709 176.117 -0.038 0.000 1.402 376 I CA -0.451 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 0.525 109.304 108.800 -0.034 0.000 2.488 377 G HA2 0.123 4.083 3.960 0.000 0.000 0.301 377 G HA3 0.123 4.083 3.960 0.000 0.000 0.301 377 G C -2.060 172.827 174.900 -0.021 0.000 1.339 377 G CA -0.463 44.623 45.100 -0.023 0.000 0.803 377 G HN 0.023 nan 8.290 nan 0.000 0.482 378 D N -0.174 120.213 120.400 -0.022 0.000 2.468 378 D HA 0.274 4.914 4.640 0.000 0.000 0.218 378 D C 1.359 177.643 176.300 -0.028 0.000 1.155 378 D CA -0.666 53.316 54.000 -0.031 0.000 0.924 378 D CB 1.265 42.042 40.800 -0.038 0.000 1.029 378 D HN 0.272 nan 8.370 nan 0.000 0.515 379 R N 1.300 121.778 120.500 -0.036 0.000 2.377 379 R HA -0.071 4.269 4.340 0.000 0.000 0.207 379 R C 1.801 178.097 176.300 -0.007 0.000 1.075 379 R CA 1.157 57.246 56.100 -0.020 0.000 1.035 379 R CB -0.603 29.659 30.300 -0.064 0.000 0.857 379 R HN 0.447 nan 8.270 nan 0.000 0.475 380 T N -2.852 111.674 114.554 -0.046 0.000 3.081 380 T HA 0.177 4.527 4.350 0.000 0.000 0.255 380 T C 0.712 175.317 174.700 -0.159 0.000 1.113 380 T CA -0.132 61.921 62.100 -0.077 0.000 1.082 380 T CB 0.101 68.900 68.868 -0.115 0.000 0.939 380 T HN -0.063 nan 8.240 nan 0.000 0.506 381 R N 1.138 121.583 120.500 -0.092 0.000 2.410 381 R HA 0.395 4.735 4.340 0.000 0.000 0.288 381 R C -0.956 175.398 176.300 0.089 0.000 1.051 381 R CA -0.502 55.522 56.100 -0.128 0.000 1.021 381 R CB 0.523 30.780 30.300 -0.073 0.000 1.032 381 R HN 0.277 nan 8.270 nan 0.000 0.481 382 Y N 1.775 121.999 120.300 -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 -1.386 56.629 58.100 -0.143 0.000 1.182 382 Y CB 0.931 39.057 38.460 -0.556 0.000 1.216 382 Y HN 0.461 nan 8.280 nan 0.000 0.474 383 F N 2.253 122.277 119.950 0.123 0.000 2.828 383 F HA 0.191 4.718 4.527 0.000 0.000 0.355 383 F C 0.875 176.720 175.800 0.074 0.000 1.200 383 F CA -0.599 57.448 58.000 0.078 0.000 1.062 383 F CB 1.442 40.488 39.000 0.075 0.000 1.351 383 F HN 0.562 nan 8.300 nan 0.000 0.504 384 S N 4.921 120.760 115.700 0.232 0.000 2.400 384 S HA -0.261 4.209 4.470 0.000 0.000 0.232 384 S C 1.955 176.350 174.600 -0.341 0.000 1.025 384 S CA 1.350 59.558 58.200 0.014 0.000 0.993 384 S CB -0.265 62.991 63.200 0.093 0.000 0.808 384 S HN 0.907 nan 8.310 nan 0.000 0.478 385 M N -0.018 119.060 119.600 -0.870 0.000 2.082 385 M HA -0.070 4.410 4.480 0.000 0.000 0.258 385 M C 1.147 176.968 176.300 -0.798 0.000 1.069 385 M CA 1.852 56.495 55.300 -1.095 0.000 1.102 385 M CB -0.215 31.339 32.600 -1.744 0.000 1.336 385 M HN 0.553 nan 8.290 nan 0.000 0.404 386 W N -0.363 120.556 121.300 -0.635 0.000 3.316 386 W HA 0.225 4.885 4.660 0.000 0.000 0.327 386 W C 0.440 176.723 176.519 -0.392 0.000 1.232 386 W CA -0.671 56.525 57.345 -0.248 0.000 1.805 386 W CB -0.113 29.239 29.460 -0.180 0.000 1.090 386 W HN 0.359 nan 8.180 nan 0.000 0.654 387 N N 1.426 119.957 118.700 -0.282 0.000 2.754 387 N HA -0.260 4.480 4.740 0.000 0.000 0.248 387 N C -0.032 175.341 175.510 -0.229 0.000 1.093 387 N CA 0.692 53.476 53.050 -0.444 0.000 0.699 387 N CB -1.106 36.601 38.487 -1.301 0.000 1.016 387 N HN 0.335 nan 8.380 nan 0.000 0.552 388 Q N 0.265 120.039 119.800 -0.044 0.000 2.534 388 Q HA 0.495 4.835 4.340 0.000 0.000 0.223 388 Q C -0.862 175.142 176.000 0.006 0.000 1.239 388 Q CA 0.260 56.105 55.803 0.069 0.000 0.936 388 Q CB 0.080 28.975 28.738 0.262 0.000 1.457 388 Q HN 0.409 nan 8.270 nan 0.000 0.547 389 A N 3.952 126.692 122.820 -0.135 0.000 2.679 389 A HA 0.270 4.590 4.320 0.000 0.000 0.288 389 A C -0.881 176.581 177.584 -0.204 0.000 1.160 389 A CA -0.571 51.199 52.037 -0.445 0.000 0.763 389 A CB 1.116 19.599 19.000 -0.862 0.000 1.270 389 A HN 0.510 nan 8.150 nan 0.000 0.417 390 V N 2.637 122.539 119.914 -0.020 0.000 2.788 390 V HA 0.049 4.169 4.120 0.000 0.000 0.307 390 V C 0.086 176.199 176.094 0.032 0.000 1.069 390 V CA 0.295 62.610 62.300 0.025 0.000 1.173 390 V CB 0.499 32.354 31.823 0.053 0.000 0.925 390 V HN 0.813 nan 8.190 nan 0.000 0.492 391 D N 4.368 124.788 120.400 0.033 0.000 2.389 391 D HA 0.392 5.032 4.640 0.000 0.000 0.247 391 D C 0.032 176.477 176.300 0.242 0.000 1.128 391 D CA 0.509 54.574 54.000 0.107 0.000 0.884 391 D CB 1.357 42.167 40.800 0.017 0.000 1.194 391 D HN 0.831 nan 8.370 nan 0.000 0.441 392 S N 1.023 116.916 115.700 0.321 0.000 2.688 392 S HA 0.724 5.194 4.470 0.000 0.000 0.275 392 S C -1.121 173.517 174.600 0.064 0.000 1.175 392 S CA -0.991 57.323 58.200 0.189 0.000 0.818 392 S CB 1.593 64.793 63.200 -0.001 0.000 1.157 392 S HN 0.547 nan 8.310 nan 0.000 0.482 393 Y N -1.092 119.129 120.300 -0.133 0.000 2.644 393 Y HA 0.744 5.294 4.550 0.000 0.000 0.338 393 Y C -1.086 174.679 175.900 -0.224 0.000 1.119 393 Y CA -1.216 56.710 58.100 -0.290 0.000 1.060 393 Y CB 0.653 38.785 38.460 -0.548 0.000 1.294 393 Y HN 0.617 nan 8.280 nan 0.000 0.472 394 D N 2.064 122.478 120.400 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 -2.290 51.721 54.000 0.019 0.000 0.875 394 D CB 1.734 42.510 40.800 -0.040 0.000 1.136 394 D HN 0.356 nan 8.370 nan 0.000 0.469 395 P HA -0.099 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 0.884 64.058 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 -1.450 119.005 120.400 0.091 0.000 2.348 396 D HA -0.037 4.603 4.640 0.000 0.000 0.216 396 D C 1.717 178.129 176.300 0.186 0.000 0.970 396 D CA 0.698 54.784 54.000 0.144 0.000 0.889 396 D CB 0.021 40.919 40.800 0.162 0.000 0.912 396 D HN 0.095 nan 8.370 nan 0.000 0.524 397 V N 0.432 120.376 119.914 0.051 0.000 2.685 397 V HA -0.056 4.064 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 0.596 62.824 62.300 -0.120 0.000 1.076 397 V CB -0.041 31.552 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 -0.288 0.000 2.075 398 R HA 0.068 4.408 4.340 0.000 0.000 0.232 398 R C 0.608 176.767 176.300 -0.235 0.000 1.126 398 R CA 1.530 57.379 56.100 -0.417 0.000 0.963 398 R CB -0.155 29.752 30.300 -0.655 0.000 0.858 398 R HN 0.455 nan 8.270 nan 0.000 0.435 399 I N 1.596 122.098 120.570 -0.114 0.000 2.411 399 I HA 0.270 4.440 4.170 0.000 0.000 0.284 399 I C -0.625 175.511 176.117 0.032 0.000 1.012 399 I CA -0.760 60.502 61.300 -0.063 0.000 1.119 399 I CB 1.951 39.918 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 0.652 176.879 176.117 0.184 0.000 1.106 400 I CA 0.311 61.713 61.300 0.170 0.000 1.402 400 I CB 0.391 38.502 38.000 0.186 0.000 1.399 400 I HN 0.616 nan 8.210 nan 0.000 0.535 401 E N 6.688 126.997 120.200 0.183 0.000 2.173 401 E HA 0.109 4.459 4.350 0.000 0.000 0.249 401 E C -0.671 175.952 176.600 0.038 0.000 0.923 401 E CA -0.505 55.965 56.400 0.116 0.000 0.754 401 E CB 0.590 30.344 29.700 0.090 0.000 1.177 401 E HN 0.430 nan 8.360 nan 0.000 0.430 402 N N 2.864 121.630 118.700 0.109 0.000 2.719 402 N HA -0.008 4.732 4.740 0.000 0.000 0.243 402 N C -0.158 175.308 175.510 -0.073 0.000 1.104 402 N CA -0.116 52.976 53.050 0.070 0.000 0.981 402 N CB 0.083 38.737 38.487 0.278 0.000 1.290 402 N HN 0.501 nan 8.380 nan 0.000 0.513 403 H N 1.217 120.199 119.070 -0.147 0.000 2.538 403 H HA 0.439 4.995 4.556 0.000 0.000 0.286 403 H C 1.259 176.473 175.328 -0.190 0.000 1.035 403 H CA -0.164 55.799 56.048 -0.141 0.000 1.169 403 H CB -0.210 29.464 29.762 -0.146 0.000 1.417 403 H HN 0.508 nan 8.280 nan 0.000 0.567 404 G N 0.726 109.381 108.800 -0.243 0.000 2.542 404 G HA2 -0.168 3.792 3.960 0.000 0.000 0.235 404 G HA3 -0.168 3.792 3.960 0.000 0.000 0.235 404 G C -0.159 174.538 174.900 -0.340 0.000 1.286 404 G CA -0.011 44.972 45.100 -0.195 0.000 0.904 404 G HN 1.091 nan 8.290 nan 0.000 0.577 405 T N -2.515 111.948 114.554 -0.152 0.000 2.909 405 T HA 0.692 5.042 4.350 0.000 0.000 0.299 405 T C -0.581 174.082 174.700 -0.062 0.000 1.073 405 T CA -0.215 61.807 62.100 -0.129 0.000 0.999 405 T CB 2.321 71.154 68.868 -0.058 0.000 1.098 405 T HN 0.693 nan 8.240 nan 0.000 0.477 406 E N 2.269 122.433 120.200 -0.059 0.000 1.932 406 E HA 0.186 4.536 4.350 0.000 0.000 0.259 406 E C -0.329 176.246 176.600 -0.042 0.000 1.099 406 E CA -0.480 55.891 56.400 -0.047 0.000 0.970 406 E CB 0.122 29.790 29.700 -0.052 0.000 1.143 406 E HN 0.700 nan 8.360 nan 0.000 0.441 407 D N 1.376 121.753 120.400 -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 -0.049 0.000 1.257 407 D CA -0.252 53.722 54.000 -0.045 0.000 0.831 407 D CB 0.371 41.147 40.800 -0.040 0.000 1.043 407 D HN 0.090 nan 8.370 nan 0.000 0.488 408 E N 0.320 120.495 120.200 -0.040 0.000 2.058 408 E HA -0.001 4.349 4.350 0.000 0.000 0.194 408 E C 0.575 177.151 176.600 -0.040 0.000 0.997 408 E CA 0.844 57.223 56.400 -0.035 0.000 0.801 408 E CB 0.073 29.756 29.700 -0.028 0.000 0.746 408 E HN 0.423 nan 8.360 nan 0.000 0.450 409 L N 2.486 123.682 121.223 -0.046 0.000 2.326 409 L HA 0.286 4.626 4.340 0.000 0.000 0.278 409 L C -1.969 174.834 176.870 -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 0.036 nan 8.230 nan 0.000 0.439 410 P HA 0.175 nan 4.420 nan 0.000 0.277 410 P C -1.475 175.497 177.300 -0.546 0.000 1.240 410 P CA -0.534 62.342 63.100 -0.373 0.000 0.798 410 P CB 0.840 32.291 31.700 -0.415 0.000 0.979 411 N N 1.153 119.480 118.700 -0.623 0.000 2.372 411 N HA 0.412 5.152 4.740 0.000 0.000 0.285 411 N C -0.999 174.135 175.510 -0.626 0.000 1.008 411 N CA -0.476 52.287 53.050 -0.478 0.000 0.880 411 N CB 1.064 39.408 38.487 -0.238 0.000 1.239 411 N HN 0.407 nan 8.380 nan 0.000 0.484 412 Y N -0.127 120.059 120.300 -0.192 0.000 2.602 412 Y HA 0.640 5.190 4.550 0.000 0.000 0.342 412 Y C 0.176 175.719 175.900 -0.596 0.000 1.029 412 Y CA -1.244 56.582 58.100 -0.458 0.000 1.080 412 Y CB 1.182 39.211 38.460 -0.719 0.000 1.284 412 Y HN 0.481 nan 8.280 nan 0.000 0.485 413 C N -0.109 118.868 119.300 -0.537 0.000 2.507 413 C HA 0.897 5.357 4.460 0.000 0.000 0.319 413 C C -0.973 173.605 174.990 -0.686 0.000 1.208 413 C CA -1.137 57.633 59.018 -0.414 0.000 1.619 413 C CB -0.413 27.223 27.740 -0.174 0.000 2.230 413 C HN 0.632 nan 8.230 nan 0.000 0.492 414 F N 0.207 120.148 119.950 -0.015 0.000 2.639 414 F HA 0.755 5.282 4.527 0.000 0.000 0.339 414 F C -2.032 173.767 175.800 -0.002 0.000 1.071 414 F CA -2.322 55.657 58.000 -0.034 0.000 0.994 414 F CB 0.241 39.212 39.000 -0.048 0.000 1.341 414 F HN 0.362 nan 8.300 nan 0.000 0.498 415 P HA 0.210 nan 4.420 nan 0.000 0.269 415 P C 0.721 178.032 177.300 0.018 0.000 1.215 415 P CA -0.085 63.104 63.100 0.147 0.000 0.780 415 P CB 0.624 32.419 31.700 0.157 0.000 0.898 416 L N 1.113 122.322 121.223 -0.023 0.000 2.083 416 L HA -0.123 4.217 4.340 0.000 0.000 0.209 416 L C 2.480 179.000 176.870 -0.584 0.000 1.083 416 L CA 1.905 56.651 54.840 -0.158 0.000 0.752 416 L CB -1.166 40.888 42.059 -0.009 0.000 0.899 416 L HN 0.599 nan 8.230 nan 0.000 0.433 417 G N -0.859 107.469 108.800 -0.787 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 -1.657 0.000 0.769 417 G HN 0.578 nan 8.290 nan 0.000 0.547 418 G N -2.505 106.076 108.800 -0.365 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 0.004 174.846 174.900 -0.097 0.000 0.995 418 G CA 0.346 45.319 45.100 -0.212 0.000 0.651 418 G HN 1.566 nan 8.290 nan 0.000 0.511 419 V N -0.528 119.356 119.914 -0.049 0.000 3.121 419 V HA 0.625 4.745 4.120 0.000 0.000 0.263 419 V C -0.296 175.858 176.094 0.101 0.000 1.795 419 V CA 0.165 62.495 62.300 0.051 0.000 0.979 419 V CB 1.762 33.610 31.823 0.041 0.000 1.335 419 V HN 0.652 nan 8.190 nan 0.000 0.462 420 I N 1.965 122.610 120.570 0.125 0.000 4.922 420 I HA 0.360 4.530 4.170 0.000 0.000 0.331 420 I C 0.294 176.451 176.117 0.066 0.000 1.260 420 I CA 0.055 61.428 61.300 0.121 0.000 1.366 420 I CB 0.759 38.829 38.000 0.116 0.000 1.386 420 I HN 0.676 nan 8.210 nan 0.000 0.483 421 N N 3.293 122.019 118.700 0.044 0.000 3.250 421 N HA 0.121 4.861 4.740 0.000 0.000 0.307 421 N C -0.165 175.362 175.510 0.029 0.000 1.355 421 N CA 0.205 53.263 53.050 0.012 0.000 1.192 421 N CB 0.011 38.493 38.487 -0.008 0.000 1.478 421 N HN 0.365 nan 8.380 nan 0.000 0.543 422 T N -1.647 112.931 114.554 0.040 0.000 2.899 422 T HA 0.305 4.655 4.350 0.000 0.000 0.295 422 T C 0.312 175.024 174.700 0.020 0.000 1.033 422 T CA -0.740 61.381 62.100 0.035 0.000 1.084 422 T CB 1.541 70.436 68.868 0.045 0.000 0.979 422 T HN 0.383 nan 8.240 nan 0.000 0.532 423 E N 0.835 121.044 120.200 0.015 0.000 2.212 423 E HA 0.415 4.765 4.350 0.000 0.000 0.268 423 E C -1.140 175.463 176.600 0.006 0.000 0.902 423 E CA -1.028 55.377 56.400 0.008 0.000 0.779 423 E CB 1.348 31.051 29.700 0.006 0.000 1.172 423 E HN 0.514 nan 8.360 nan 0.000 0.409 424 T N 3.957 118.512 114.554 0.002 0.000 2.779 424 T HA 0.296 4.646 4.350 0.000 0.000 0.296 424 T C 0.018 174.721 174.700 0.005 0.000 0.938 424 T CA -0.119 61.981 62.100 0.000 0.000 1.119 424 T CB -0.049 68.817 68.868 -0.003 0.000 0.891 424 T HN 0.316 nan 8.240 nan 0.000 0.526 425 L N 2.252 123.481 121.223 0.010 0.000 2.283 425 L HA 0.649 4.989 4.340 0.000 0.000 0.259 425 L C 0.239 177.130 176.870 0.035 0.000 1.027 425 L CA -1.104 53.748 54.840 0.020 0.000 0.828 425 L CB 2.261 44.335 42.059 0.025 0.000 1.380 425 L HN 0.465 nan 8.230 nan 0.000 0.425 426 T N 0.460 115.043 114.554 0.048 0.000 2.841 426 T HA 0.275 4.625 4.350 0.000 0.000 0.283 426 T C -0.246 174.520 174.700 0.110 0.000 1.000 426 T CA -0.673 61.471 62.100 0.072 0.000 0.977 426 T CB 1.787 70.688 68.868 0.056 0.000 0.979 426 T HN 0.254 nan 8.240 nan 0.000 0.446 427 K N 2.170 122.669 120.400 0.164 0.000 2.469 427 K HA 0.322 4.642 4.320 0.000 0.000 0.274 427 K C -0.709 175.973 176.600 0.137 0.000 0.983 427 K CA 0.134 56.547 56.287 0.210 0.000 0.974 427 K CB 0.470 33.160 32.500 0.317 0.000 0.913 427 K HN 0.388 nan 8.250 nan 0.000 0.493 428 V N 3.593 123.593 119.914 0.143 0.000 2.971 428 V HA 0.415 4.535 4.120 0.000 0.000 0.309 428 V C -0.685 175.490 176.094 0.135 0.000 1.130 428 V CA -0.910 61.494 62.300 0.172 0.000 0.964 428 V CB 2.476 34.468 31.823 0.282 0.000 1.029 428 V HN 0.702 nan 8.190 nan 0.000 0.427 429 K N 4.012 124.469 120.400 0.095 0.000 2.426 429 K HA 0.616 4.936 4.320 0.000 0.000 0.251 429 K C -2.782 173.754 176.600 -0.108 0.000 0.941 429 K CA -1.705 54.562 56.287 -0.033 0.000 0.808 429 K CB 2.929 35.392 32.500 -0.062 0.000 1.265 429 K HN 0.386 nan 8.250 nan 0.000 0.432 430 P HA 0.161 nan 4.420 nan 0.000 0.282 430 P C -1.295 175.865 177.300 -0.234 0.000 1.287 430 P CA -0.398 62.426 63.100 -0.461 0.000 0.792 430 P CB 0.435 31.783 31.700 -0.586 0.000 1.163 431 K N -1.637 118.638 120.400 -0.209 0.000 6.806 431 K HA -0.110 4.210 4.320 0.000 0.000 0.764 431 K C 0.135 176.701 176.600 -0.057 0.000 2.469 431 K CA 0.653 56.873 56.287 -0.111 0.000 1.793 431 K CB -2.033 30.407 32.500 -0.100 0.000 2.301 431 K HN 0.843 nan 8.250 nan 0.000 0.246 432 T N -0.308 114.229 114.554 -0.028 0.000 6.178 432 T HA -0.107 4.243 4.350 0.000 0.000 0.277 432 T C 0.875 175.589 174.700 0.024 0.000 2.183 432 T CA 1.284 63.383 62.100 -0.000 0.000 3.733 432 T CB -1.235 67.636 68.868 0.005 0.000 0.719 432 T HN 0.968 nan 8.240 nan 0.000 0.455 433 G N 2.276 111.105 108.800 0.049 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 0.253 175.205 174.900 0.087 0.000 1.173 433 G CA -0.123 45.030 45.100 0.089 0.000 0.835 433 G HN 0.678 nan 8.290 nan 0.000 0.534 434 Q N 0.415 120.241 119.800 0.044 0.000 2.454 434 Q HA 0.234 4.574 4.340 0.000 0.000 0.247 434 Q C -0.502 175.520 176.000 0.037 0.000 1.028 434 Q CA -0.125 55.699 55.803 0.036 0.000 0.910 434 Q CB 1.146 29.887 28.738 0.005 0.000 1.276 434 Q HN 0.272 nan 8.270 nan 0.000 0.489 435 E N 1.906 122.128 120.200 0.037 0.000 2.417 435 E HA -0.059 4.291 4.350 0.000 0.000 0.261 435 E C -0.640 176.005 176.600 0.074 0.000 1.000 435 E CA -0.168 56.256 56.400 0.040 0.000 0.919 435 E CB 0.135 29.856 29.700 0.035 0.000 0.955 435 E HN 0.467 nan 8.360 nan 0.000 0.455 436 N N 1.511 120.256 118.700 0.074 0.000 2.681 436 N HA -0.140 4.600 4.740 0.000 0.000 0.259 436 N C -0.591 175.094 175.510 0.291 0.000 1.066 436 N CA 1.115 54.260 53.050 0.158 0.000 0.717 436 N CB -1.303 37.307 38.487 0.205 0.000 0.885 436 N HN 0.645 nan 8.380 nan 0.000 0.547 437 G N -0.860 108.054 108.800 0.191 0.000 2.416 437 G HA2 0.647 4.607 3.960 0.000 0.000 0.329 437 G HA3 0.647 4.607 3.960 0.000 0.000 0.329 437 G C -0.839 174.242 174.900 0.302 0.000 1.173 437 G CA -0.709 44.574 45.100 0.304 0.000 0.929 437 G HN 0.187 nan 8.290 nan 0.000 0.475 438 W N 0.354 121.652 121.300 -0.003 0.000 2.736 438 W HA 0.675 5.335 4.660 0.000 0.000 0.335 438 W C 0.122 176.638 176.519 -0.004 0.000 1.059 438 W CA -1.049 56.294 57.345 -0.004 0.000 1.226 438 W CB 1.498 30.957 29.460 -0.001 0.000 1.416 438 W HN 0.456 nan 8.180 nan 0.000 0.505 439 E N 0.897 121.214 120.200 0.195 0.000 2.359 439 E HA 0.394 4.744 4.350 0.000 0.000 0.266 439 E C -0.643 176.014 176.600 0.096 0.000 0.920 439 E CA -1.245 55.223 56.400 0.113 0.000 0.788 439 E CB 2.312 32.048 29.700 0.059 0.000 1.279 439 E HN 0.202 nan 8.360 nan 0.000 0.438 440 K N 1.085 121.526 120.400 0.068 0.000 2.319 440 K HA 0.040 4.360 4.320 0.000 0.000 0.265 440 K C -0.369 176.252 176.600 0.035 0.000 1.000 440 K CA -0.016 56.305 56.287 0.057 0.000 0.943 440 K CB 0.365 32.892 32.500 0.046 0.000 0.950 440 K HN 0.353 nan 8.250 nan 0.000 0.485 441 D N 0.645 121.063 120.400 0.030 0.000 2.210 441 D HA 0.178 4.818 4.640 0.000 0.000 0.249 441 D C 0.184 176.485 176.300 0.003 0.000 1.078 441 D CA -0.126 53.868 54.000 -0.009 0.000 0.875 441 D CB 1.768 42.535 40.800 -0.054 0.000 1.175 441 D HN 0.540 nan 8.370 nan 0.000 0.440 442 A N 2.340 125.152 122.820 -0.013 0.000 1.984 442 A HA -0.033 4.287 4.320 0.000 0.000 0.214 442 A C 1.463 179.049 177.584 0.004 0.000 1.173 442 A CA 0.894 52.931 52.037 0.000 0.000 0.673 442 A CB -0.317 18.680 19.000 -0.005 0.000 0.830 442 A HN 0.611 nan 8.150 nan 0.000 0.453 443 T N 0.029 114.567 114.554 -0.026 0.000 3.500 443 T HA 0.231 4.581 4.350 0.000 0.000 0.244 443 T C 0.063 174.785 174.700 0.036 0.000 0.962 443 T CA -0.273 61.816 62.100 -0.018 0.000 0.932 443 T CB -0.829 67.998 68.868 -0.068 0.000 1.096 443 T HN 0.504 nan 8.240 nan 0.000 0.617 444 E N 0.594 120.855 120.200 0.102 0.000 2.458 444 E HA 0.140 4.490 4.350 0.000 0.000 0.264 444 E C -0.543 176.249 176.600 0.321 0.000 1.097 444 E CA -0.053 56.507 56.400 0.267 0.000 0.973 444 E CB 0.036 29.840 29.700 0.173 0.000 0.963 444 E HN 0.420 nan 8.360 nan 0.000 0.451 445 F N 0.184 120.136 119.950 0.004 0.000 2.744 445 F HA -0.226 4.301 4.527 0.000 0.000 0.377 445 F C 0.513 176.316 175.800 0.005 0.000 1.069 445 F CA 0.562 58.566 58.000 0.007 0.000 1.211 445 F CB -2.050 36.957 39.000 0.012 0.000 1.606 445 F HN 0.379 nan 8.300 nan 0.000 0.781 446 S N 0.392 116.129 115.700 0.061 0.000 2.599 446 S HA -0.006 4.464 4.470 0.000 0.000 0.303 446 S C 1.352 175.980 174.600 0.047 0.000 1.267 446 S CA 0.023 58.245 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 0.546 nan 8.310 nan 0.000 0.500 447 D N 1.593 122.022 120.400 0.049 0.000 2.403 447 D HA -0.115 4.525 4.640 0.000 0.000 0.227 447 D C -0.043 176.273 176.300 0.026 0.000 0.995 447 D CA 0.735 54.764 54.000 0.048 0.000 0.928 447 D CB -0.215 40.608 40.800 0.039 0.000 0.887 447 D HN 0.672 nan 8.370 nan 0.000 0.529 448 K N 0.769 121.174 120.400 0.007 0.000 2.530 448 K HA 0.293 4.613 4.320 0.000 0.000 0.230 448 K C -0.886 175.697 176.600 -0.028 0.000 1.002 448 K CA -0.642 55.640 56.287 -0.009 0.000 1.014 448 K CB 0.946 33.437 32.500 -0.016 0.000 1.286 448 K HN -0.104 nan 8.250 nan 0.000 0.480 449 N N 2.036 120.722 118.700 -0.023 0.000 2.314 449 N HA 0.206 4.946 4.740 0.000 0.000 0.294 449 N C -1.029 174.466 175.510 -0.025 0.000 1.029 449 N CA -0.732 52.292 53.050 -0.043 0.000 0.845 449 N CB 1.850 40.305 38.487 -0.053 0.000 1.321 449 N HN 0.315 nan 8.380 nan 0.000 0.481 450 E N 1.436 121.620 120.200 -0.028 0.000 2.105 450 E HA 0.421 4.771 4.350 0.000 0.000 0.285 450 E C -0.359 176.245 176.600 0.006 0.000 1.055 450 E CA 0.043 56.440 56.400 -0.005 0.000 0.843 450 E CB 0.680 30.382 29.700 0.002 0.000 1.067 450 E HN 0.405 nan 8.360 nan 0.000 0.398 451 I N 2.702 123.279 120.570 0.012 0.000 2.498 451 I HA 0.384 4.554 4.170 0.000 0.000 0.290 451 I C -0.284 175.846 176.117 0.022 0.000 1.032 451 I CA -1.273 60.037 61.300 0.017 0.000 1.073 451 I CB 1.811 39.821 38.000 0.017 0.000 1.251 451 I HN 0.210 nan 8.210 nan 0.000 0.426 452 R N 5.584 126.100 120.500 0.026 0.000 2.297 452 R HA 0.540 4.880 4.340 0.000 0.000 0.308 452 R C -1.617 174.697 176.300 0.023 0.000 1.029 452 R CA -0.285 55.833 56.100 0.029 0.000 0.929 452 R CB 1.138 31.461 30.300 0.038 0.000 1.046 452 R HN 0.406 nan 8.270 nan 0.000 0.461 453 V N 5.526 125.453 119.914 0.022 0.000 2.347 453 V HA 0.792 4.912 4.120 0.000 0.000 0.280 453 V C 0.730 176.837 176.094 0.021 0.000 1.021 453 V CA 0.487 62.798 62.300 0.018 0.000 0.847 453 V CB 0.420 32.251 31.823 0.013 0.000 0.990 453 V HN 1.066 nan 8.190 nan 0.000 0.444 454 G N 5.096 113.907 108.800 0.019 0.000 2.483 454 G HA2 -0.143 3.817 3.960 0.000 0.000 0.521 454 G HA3 -0.143 3.817 3.960 0.000 0.000 0.521 454 G C -0.703 174.208 174.900 0.020 0.000 1.278 454 G CA -0.824 44.288 45.100 0.020 0.000 0.965 454 G HN 0.581 nan 8.290 nan 0.000 0.504 455 N N 0.959 119.671 118.700 0.020 0.000 2.424 455 N HA 0.326 5.066 4.740 0.000 0.000 0.257 455 N C 0.838 176.375 175.510 0.045 0.000 1.250 455 N CA 0.326 53.384 53.050 0.014 0.000 0.946 455 N CB 0.292 38.777 38.487 -0.003 0.000 1.175 455 N HN 0.908 nan 8.380 nan 0.000 0.477 456 N N -0.430 118.298 118.700 0.047 0.000 2.317 456 N HA 0.066 4.806 4.740 0.000 0.000 0.245 456 N C -0.605 175.014 175.510 0.183 0.000 1.294 456 N CA -0.284 52.832 53.050 0.110 0.000 0.924 456 N CB 0.146 38.686 38.487 0.089 0.000 1.186 456 N HN 0.403 nan 8.380 nan 0.000 0.495 457 F N -0.333 119.661 119.950 0.074 0.000 2.438 457 F HA 0.568 5.095 4.527 0.000 0.000 0.356 457 F C -0.210 175.631 175.800 0.068 0.000 1.099 457 F CA -0.879 57.156 58.000 0.057 0.000 1.185 457 F CB -0.099 38.931 39.000 0.051 0.000 1.115 457 F HN 0.720 nan 8.300 nan 0.000 0.526 458 A N 7.529 129.942 122.820 -0.679 0.000 2.475 458 A HA 0.826 5.146 4.320 0.000 0.000 0.301 458 A C -1.236 175.916 177.584 -0.719 0.000 1.059 458 A CA -0.885 50.751 52.037 -0.668 0.000 0.710 458 A CB 1.530 20.222 19.000 -0.514 0.000 1.288 458 A HN 0.661 nan 8.150 nan 0.000 0.408 459 M N 1.344 120.631 119.600 -0.521 0.000 2.465 459 M HA 0.470 4.950 4.480 0.000 0.000 0.316 459 M C -0.381 175.840 176.300 -0.132 0.000 1.121 459 M CA -0.215 54.906 55.300 -0.299 0.000 0.934 459 M CB 1.662 34.118 32.600 -0.240 0.000 1.692 459 M HN 0.950 nan 8.290 nan 0.000 0.444 460 E N 2.285 122.446 120.200 -0.065 0.000 2.207 460 E HA 0.782 5.132 4.350 0.000 0.000 0.270 460 E C -1.770 174.740 176.600 -0.150 0.000 0.927 460 E CA -0.634 55.702 56.400 -0.106 0.000 0.799 460 E CB 2.570 32.224 29.700 -0.077 0.000 1.172 460 E HN 0.729 nan 8.360 nan 0.000 0.404 461 I N 3.056 123.507 120.570 -0.198 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 2.005 39.942 38.000 -0.105 0.000 1.281 461 I HN 0.483 nan 8.210 nan 0.000 0.423 462 N N 7.484 126.106 118.700 -0.129 0.000 2.602 462 N HA 0.230 4.970 4.740 0.000 0.000 0.238 462 N C 0.690 176.168 175.510 -0.054 0.000 1.084 462 N CA -0.022 52.967 53.050 -0.102 0.000 0.952 462 N CB 0.775 39.209 38.487 -0.087 0.000 1.244 462 N HN 0.786 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 -0.247 4.093 4.340 0.000 0.000 0.216 463 L C 1.734 178.612 176.870 0.013 0.000 1.073 463 L CA 1.565 56.393 54.840 -0.021 0.000 0.762 463 L CB -0.251 41.792 42.059 -0.027 0.000 0.889 463 L HN 0.603 nan 8.230 nan 0.000 0.433 464 N N -0.863 117.841 118.700 0.007 0.000 2.149 464 N HA -0.207 4.533 4.740 0.000 0.000 0.188 464 N C 1.759 177.322 175.510 0.089 0.000 1.019 464 N CA 1.078 54.146 53.050 0.031 0.000 0.857 464 N CB -0.147 38.337 38.487 -0.005 0.000 0.997 464 N HN 0.401 nan 8.380 nan 0.000 0.426 465 A N 1.249 124.117 122.820 0.080 0.000 1.930 465 A HA -0.121 4.199 4.320 0.000 0.000 0.217 465 A C 1.985 179.665 177.584 0.160 0.000 1.175 465 A CA 1.115 53.238 52.037 0.144 0.000 0.627 465 A CB -0.374 18.679 19.000 0.088 0.000 0.815 465 A HN 0.264 nan 8.150 nan 0.000 0.443 466 N N 0.087 118.844 118.700 0.094 0.000 2.058 466 N HA -0.104 4.636 4.740 0.000 0.000 0.191 466 N C 1.794 177.377 175.510 0.122 0.000 1.037 466 N CA 1.429 54.527 53.050 0.079 0.000 0.848 466 N CB -0.377 38.135 38.487 0.041 0.000 1.021 466 N HN 0.464 nan 8.380 nan 0.000 0.422 467 L N 0.121 121.429 121.223 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 0.299 0.000 1.076 467 L CA 1.191 56.140 54.840 0.181 0.000 0.749 467 L CB -0.348 41.797 42.059 0.143 0.000 0.893 467 L HN 0.448 nan 8.230 nan 0.000 0.432 468 W N 0.945 122.282 121.300 0.062 0.000 2.355 468 W HA -0.277 4.383 4.660 0.000 0.000 0.309 468 W C 2.730 179.341 176.519 0.154 0.000 1.206 468 W CA 1.193 58.586 57.345 0.080 0.000 1.284 468 W CB -0.076 29.398 29.460 0.023 0.000 1.145 468 W HN 0.093 nan 8.180 nan 0.000 0.502 469 R N 0.636 121.182 120.500 0.077 0.000 2.083 469 R HA -0.193 4.147 4.340 0.000 0.000 0.237 469 R C 2.098 178.389 176.300 -0.016 0.000 1.137 469 R CA 2.027 58.075 56.100 -0.087 0.000 0.951 469 R CB -0.777 29.511 30.300 -0.020 0.000 0.851 469 R HN 0.240 nan 8.270 nan 0.000 0.434 470 N N -0.379 118.368 118.700 0.079 0.000 2.149 470 N HA -0.209 4.531 4.740 0.000 0.000 0.188 470 N C 1.656 177.254 175.510 0.148 0.000 1.019 470 N CA 1.367 54.486 53.050 0.115 0.000 0.857 470 N CB -0.172 38.392 38.487 0.128 0.000 0.997 470 N HN 0.171 nan 8.380 nan 0.000 0.426 471 F N 2.082 122.050 119.950 0.031 0.000 2.113 471 F HA -0.060 4.467 4.527 0.000 0.000 0.297 471 F C 2.116 177.873 175.800 -0.072 0.000 1.103 471 F CA 0.990 59.009 58.000 0.031 0.000 1.248 471 F CB -0.358 38.699 39.000 0.094 0.000 0.999 471 F HN -0.090 nan 8.300 nan 0.000 0.475 472 L N -1.052 120.019 121.223 -0.255 0.000 2.046 472 L HA -0.239 4.101 4.340 0.000 0.000 0.208 472 L C 2.387 179.124 176.870 -0.221 0.000 1.077 472 L CA 1.780 56.391 54.840 -0.382 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 -0.267 119.908 120.300 -0.209 0.000 2.200 473 Y HA -0.271 4.279 4.550 0.000 0.000 0.290 473 Y C 2.986 178.824 175.900 -0.103 0.000 1.137 473 Y CA 1.747 59.763 58.100 -0.140 0.000 1.163 473 Y CB -0.003 38.389 38.460 -0.112 0.000 0.988 473 Y HN 0.113 nan 8.280 nan 0.000 0.518 474 S N -0.020 115.645 115.700 -0.058 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 1.711 59.878 58.200 -0.054 0.000 0.988 474 S CB -0.367 62.868 63.200 0.058 0.000 0.838 474 S HN 0.612 nan 8.310 nan 0.000 0.462 475 N N 0.084 118.731 118.700 -0.089 0.000 2.409 475 N HA 0.244 4.984 4.740 0.000 0.000 0.174 475 N C 1.514 177.054 175.510 0.050 0.000 1.037 475 N CA 0.879 53.937 53.050 0.013 0.000 0.898 475 N CB 0.225 38.466 38.487 -0.410 0.000 1.010 475 N HN 0.462 nan 8.380 nan 0.000 0.445 476 I N 0.298 120.807 120.570 -0.101 0.000 3.345 476 I HA 0.119 4.289 4.170 0.000 0.000 0.258 476 I C 2.265 178.349 176.117 -0.054 0.000 1.134 476 I CA 0.179 61.444 61.300 -0.058 0.000 1.457 476 I CB -0.314 37.613 38.000 -0.121 0.000 1.425 476 I HN -0.136 nan 8.210 nan 0.000 0.461 477 A N 1.764 124.482 122.820 -0.170 0.000 1.859 477 A HA -0.236 4.084 4.320 0.000 0.000 0.218 477 A C 2.234 179.622 177.584 -0.327 0.000 1.209 477 A CA 1.882 53.770 52.037 -0.248 0.000 0.639 477 A CB -1.258 17.530 19.000 -0.354 0.000 0.835 477 A HN 0.396 nan 8.150 nan 0.000 0.450 478 L N -2.308 118.614 121.223 -0.502 0.000 2.353 478 L HA -0.185 4.155 4.340 0.000 0.000 0.220 478 L C 1.916 178.503 176.870 -0.472 0.000 1.133 478 L CA 0.995 55.517 54.840 -0.530 0.000 0.798 478 L CB -0.359 41.319 42.059 -0.634 0.000 0.922 478 L HN 0.544 nan 8.230 nan 0.000 0.445 479 Y N -0.974 119.195 120.300 -0.219 0.000 2.457 479 Y HA 0.174 4.724 4.550 0.000 0.000 0.263 479 Y C 1.064 176.900 175.900 -0.107 0.000 1.164 479 Y CA -0.590 57.426 58.100 -0.140 0.000 1.274 479 Y CB 0.078 38.489 38.460 -0.082 0.000 1.097 479 Y HN 0.013 nan 8.280 nan 0.000 0.523 480 L N 1.691 122.894 121.223 -0.033 0.000 2.483 480 L HA 0.052 4.392 4.340 0.000 0.000 0.275 480 L C -1.912 174.915 176.870 -0.072 0.000 1.220 480 L CA -1.747 53.061 54.840 -0.054 0.000 0.833 480 L CB 0.141 42.129 42.059 -0.118 0.000 1.102 480 L HN -0.076 nan 8.230 nan 0.000 0.490 481 P HA -0.066 nan 4.420 nan 0.000 0.266 481 P C -0.070 177.185 177.300 -0.075 0.000 1.193 481 P CA 0.076 63.148 63.100 -0.045 0.000 0.770 481 P CB 0.491 32.170 31.700 -0.036 0.000 0.836 482 D N 2.448 122.829 120.400 -0.032 0.000 2.221 482 D HA -0.191 4.449 4.640 0.000 0.000 0.204 482 D C 1.603 177.887 176.300 -0.026 0.000 0.982 482 D CA 1.323 55.310 54.000 -0.022 0.000 0.857 482 D CB -0.027 40.814 40.800 0.067 0.000 0.934 482 D HN 0.427 nan 8.370 nan 0.000 0.475 483 K N -0.051 120.333 120.400 -0.028 0.000 2.280 483 K HA -0.104 4.216 4.320 0.000 0.000 0.202 483 K C 1.729 178.295 176.600 -0.057 0.000 1.047 483 K CA 0.890 57.163 56.287 -0.025 0.000 0.942 483 K CB -0.272 32.218 32.500 -0.016 0.000 0.739 483 K HN 0.247 nan 8.250 nan 0.000 0.457 484 L N 0.637 121.790 121.223 -0.117 0.000 2.592 484 L HA 0.139 4.479 4.340 0.000 0.000 0.227 484 L C 0.696 177.523 176.870 -0.071 0.000 1.127 484 L CA 0.020 54.775 54.840 -0.142 0.000 0.884 484 L CB 0.039 41.928 42.059 -0.284 0.000 1.065 484 L HN 0.117 nan 8.230 nan 0.000 0.457 485 K N -0.052 120.307 120.400 -0.068 0.000 2.240 485 K HA 0.515 4.835 4.320 0.000 0.000 0.237 485 K C -1.166 175.450 176.600 0.027 0.000 1.027 485 K CA -0.660 55.576 56.287 -0.084 0.000 0.937 485 K CB 1.414 33.797 32.500 -0.195 0.000 1.171 485 K HN -0.125 nan 8.250 nan 0.000 0.479 486 Y N -3.097 117.130 120.300 -0.122 0.000 2.552 486 Y HA 0.400 4.950 4.550 0.000 0.000 0.337 486 Y C -0.904 174.924 175.900 -0.121 0.000 1.094 486 Y CA -1.190 56.848 58.100 -0.103 0.000 1.028 486 Y CB 1.016 39.423 38.460 -0.089 0.000 1.321 486 Y HN 0.321 nan 8.280 nan 0.000 0.456 487 S N 4.715 120.437 115.700 0.036 0.000 2.564 487 S HA 0.311 4.781 4.470 0.000 0.000 0.278 487 S C -2.356 172.259 174.600 0.026 0.000 1.333 487 S CA -0.836 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 -0.764 176.555 177.300 0.031 0.000 1.238 488 P CA -0.538 62.561 63.100 -0.002 0.000 0.794 488 P CB 0.731 32.397 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 0.239 4.709 4.470 0.000 0.000 0.275 489 S C 0.589 175.174 174.600 -0.025 0.000 1.281 489 S CA -0.566 57.647 58.200 0.021 0.000 1.045 489 S CB -0.052 63.168 63.200 0.033 0.000 0.962 489 S HN 0.553 nan 8.310 nan 0.000 0.503 490 N N -1.110 117.570 118.700 -0.033 0.000 2.800 490 N HA -0.130 4.610 4.740 0.000 0.000 0.250 490 N C -0.948 174.531 175.510 -0.053 0.000 1.078 490 N CA 0.959 53.976 53.050 -0.056 0.000 0.804 490 N CB -1.643 36.785 38.487 -0.098 0.000 1.135 490 N HN 0.552 nan 8.380 nan 0.000 0.565 491 V N 0.646 120.539 119.914 -0.036 0.000 2.656 491 V HA 0.264 4.384 4.120 0.000 0.000 0.307 491 V C 0.447 176.528 176.094 -0.022 0.000 1.051 491 V CA -0.964 61.318 62.300 -0.030 0.000 0.893 491 V CB 2.477 34.284 31.823 -0.026 0.000 0.999 491 V HN -0.034 nan 8.190 nan 0.000 0.426 492 K N 4.326 124.716 120.400 -0.016 0.000 2.379 492 K HA 0.538 4.858 4.320 0.000 0.000 0.284 492 K C -0.676 175.915 176.600 -0.014 0.000 1.044 492 K CA 0.058 56.340 56.287 -0.009 0.000 0.974 492 K CB 1.172 33.670 32.500 -0.003 0.000 0.962 492 K HN 0.575 nan 8.250 nan 0.000 0.474 493 I N 1.192 121.758 120.570 -0.005 0.000 2.582 493 I HA 0.115 4.285 4.170 0.000 0.000 0.292 493 I C -0.166 175.981 176.117 0.050 0.000 1.066 493 I CA -0.504 60.794 61.300 -0.004 0.000 1.053 493 I CB 2.062 40.038 38.000 -0.040 0.000 1.241 493 I HN 0.622 nan 8.210 nan 0.000 0.421 494 S N 3.805 119.548 115.700 0.072 0.000 2.566 494 S HA -0.004 4.466 4.470 0.000 0.000 0.280 494 S C 0.534 175.204 174.600 0.116 0.000 1.343 494 S CA 0.460 58.711 58.200 0.085 0.000 1.036 494 S CB 0.662 63.909 63.200 0.079 0.000 0.866 494 S HN 0.751 nan 8.310 nan 0.000 0.526 495 D N 1.106 121.527 120.400 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 0.416 nan 8.370 nan 0.000 0.516 496 N N 1.042 119.669 118.700 -0.121 0.000 2.406 496 N HA 0.059 4.799 4.740 0.000 0.000 0.251 496 N C -1.879 173.400 175.510 -0.384 0.000 1.069 496 N CA -1.787 51.150 53.050 -0.187 0.000 0.947 496 N CB 1.418 39.853 38.487 -0.087 0.000 1.111 496 N HN -0.059 nan 8.380 nan 0.000 0.497 497 P HA -0.009 nan 4.420 nan 0.000 0.234 497 P C -0.072 177.043 177.300 -0.308 0.000 1.167 497 P CA 0.663 63.208 63.100 -0.925 0.000 0.763 497 P CB 0.492 31.742 31.700 -0.749 0.000 0.835 498 N N -0.653 117.947 118.700 -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 -0.011 0.000 1.113 498 N CA 0.422 53.440 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 -0.014 114.536 114.554 -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 1.354 70.251 68.868 0.048 0.000 0.996 499 T HN 0.164 nan 8.240 nan 0.000 0.513 500 Y N 2.019 122.303 120.300 -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 1.967 60.029 58.100 -0.063 0.000 1.161 500 Y CB -0.153 38.256 38.460 -0.086 0.000 0.997 500 Y HN 0.826 nan 8.280 nan 0.000 0.522 501 D N -0.875 119.522 120.400 -0.005 0.000 2.133 501 D HA -0.316 4.324 4.640 0.000 0.000 0.195 501 D C 2.032 178.225 176.300 -0.179 0.000 0.997 501 D CA 1.841 55.773 54.000 -0.115 0.000 0.840 501 D CB -0.539 40.266 40.800 0.009 0.000 0.947 501 D HN 0.537 nan 8.370 nan 0.000 0.452 502 Y N 0.337 120.522 120.300 -0.192 0.000 2.163 502 Y HA -0.110 4.440 4.550 0.000 0.000 0.288 502 Y C 2.129 177.877 175.900 -0.253 0.000 1.136 502 Y CA 1.611 59.602 58.100 -0.183 0.000 1.147 502 Y CB -0.140 38.249 38.460 -0.118 0.000 0.987 502 Y HN -0.003 nan 8.280 nan 0.000 0.509 503 M N -0.215 119.292 119.600 -0.155 0.000 2.460 503 M HA -0.131 4.349 4.480 0.000 0.000 0.263 503 M C 1.522 177.523 176.300 -0.499 0.000 1.071 503 M CA 1.558 56.683 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 0.739 119.050 118.700 -0.649 0.000 2.409 504 N HA -0.018 4.722 4.740 0.000 0.000 0.174 504 N C 1.277 176.393 175.510 -0.657 0.000 1.037 504 N CA 0.908 53.506 53.050 -0.753 0.000 0.898 504 N CB 0.306 38.147 38.487 -1.076 0.000 1.010 504 N HN 0.208 nan 8.380 nan 0.000 0.445 505 K N -0.591 119.484 120.400 -0.541 0.000 2.348 505 K HA 0.202 4.522 4.320 0.000 0.000 0.194 505 K C -0.065 176.312 176.600 -0.372 0.000 1.052 505 K CA -0.240 55.805 56.287 -0.403 0.000 1.004 505 K CB 0.500 32.818 32.500 -0.303 0.000 0.873 505 K HN -0.021 nan 8.250 nan 0.000 0.523 506 R N 1.964 122.163 120.500 -0.502 0.000 2.502 506 R HA 0.010 4.350 4.340 0.000 0.000 0.292 506 R C -0.216 175.822 176.300 -0.438 0.000 0.998 506 R CA 0.132 55.920 56.100 -0.520 0.000 1.056 506 R CB 0.593 30.520 30.300 -0.622 0.000 0.939 506 R HN -0.033 nan 8.270 nan 0.000 0.411 507 V N 3.918 123.509 119.914 -0.537 0.000 2.539 507 V HA 0.453 4.573 4.120 0.000 0.000 0.292 507 V C -0.517 175.234 176.094 -0.573 0.000 1.045 507 V CA -0.623 61.346 62.300 -0.552 0.000 0.945 507 V CB 1.894 33.319 31.823 -0.663 0.000 0.993 507 V HN 0.449 nan 8.190 nan 0.000 0.464 508 V N 6.827 126.577 119.914 -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 -0.153 0.000 0.995 508 V HN 1.492 nan 8.190 nan 0.000 0.429 509 A N 7.250 130.116 122.820 0.077 0.000 2.454 509 A HA 0.552 4.872 4.320 0.000 0.000 0.260 509 A C -1.658 175.988 177.584 0.103 0.000 1.106 509 A CA -0.964 51.119 52.037 0.078 0.000 0.780 509 A CB 0.262 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 -0.122 nan 4.420 nan 0.000 0.218 510 P C 1.590 178.913 177.300 0.038 0.000 1.148 510 P CA 1.707 64.859 63.100 0.086 0.000 0.822 510 P CB 0.202 31.829 31.700 -0.122 0.000 0.784 511 G N -0.760 108.060 108.800 0.033 0.000 2.586 511 G HA2 -0.180 3.780 3.960 0.000 0.000 0.215 511 G HA3 -0.180 3.780 3.960 0.000 0.000 0.215 511 G C 1.280 176.219 174.900 0.065 0.000 1.128 511 G CA 0.254 45.390 45.100 0.060 0.000 0.774 511 G HN 0.263 nan 8.290 nan 0.000 0.543 512 L N -0.368 120.885 121.223 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 0.403 55.285 54.840 0.070 0.000 0.793 512 L CB 0.340 42.422 42.059 0.038 0.000 0.927 512 L HN 0.026 nan 8.230 nan 0.000 0.446 513 V N -0.886 119.032 119.914 0.007 0.000 2.502 513 V HA 0.225 4.345 4.120 0.000 0.000 0.261 513 V C -0.510 175.490 176.094 -0.158 0.000 0.996 513 V CA -0.606 61.667 62.300 -0.045 0.000 1.095 513 V CB 0.804 32.597 31.823 -0.049 0.000 1.325 513 V HN 0.068 nan 8.190 nan 0.000 0.574 514 D N 0.583 120.815 120.400 -0.281 0.000 2.387 514 D HA 0.155 4.795 4.640 0.000 0.000 0.251 514 D C 1.438 177.427 176.300 -0.518 0.000 1.141 514 D CA -0.100 53.613 54.000 -0.479 0.000 0.987 514 D CB 2.271 42.587 40.800 -0.807 0.000 1.116 514 D HN 0.560 nan 8.370 nan 0.000 0.491 515 C N 0.535 119.595 119.300 -0.400 0.000 2.421 515 C HA -0.101 4.359 4.460 0.000 0.000 0.296 515 C C 1.661 176.715 174.990 0.106 0.000 1.470 515 C CA -0.098 58.845 59.018 -0.124 0.000 1.779 515 C CB -2.314 25.514 27.740 0.147 0.000 1.715 515 C HN 0.566 nan 8.230 nan 0.000 0.564 516 Y N -1.354 119.033 120.300 0.146 0.000 2.555 516 Y HA 0.618 5.168 4.550 0.000 0.000 0.259 516 Y C 0.558 176.515 175.900 0.095 0.000 1.179 516 Y CA -2.387 55.784 58.100 0.119 0.000 1.230 516 Y CB -1.141 37.363 38.460 0.073 0.000 1.146 516 Y HN 0.152 nan 8.280 nan 0.000 0.526 517 I N 3.019 123.637 120.570 0.080 0.000 2.517 517 I HA 0.106 4.276 4.170 0.000 0.000 0.285 517 I C 0.370 176.576 176.117 0.148 0.000 1.106 517 I CA 0.155 61.530 61.300 0.125 0.000 1.402 517 I CB -0.153 37.877 38.000 0.051 0.000 1.399 517 I HN 0.426 nan 8.210 nan 0.000 0.535 518 N N 5.585 124.354 118.700 0.116 0.000 2.698 518 N HA -0.236 4.504 4.740 0.000 0.000 0.258 518 N C -0.322 175.237 175.510 0.083 0.000 0.978 518 N CA 0.561 53.646 53.050 0.058 0.000 0.777 518 N CB -0.868 37.656 38.487 0.061 0.000 0.907 518 N HN 0.592 nan 8.380 nan 0.000 0.543 519 L N 0.077 121.356 121.223 0.093 0.000 2.578 519 L HA 0.030 4.370 4.340 0.000 0.000 0.279 519 L C 1.662 178.565 176.870 0.056 0.000 1.227 519 L CA 1.221 56.120 54.840 0.099 0.000 0.900 519 L CB 0.172 42.291 42.059 0.099 0.000 1.144 519 L HN 0.623 nan 8.230 nan 0.000 0.496 520 G N 2.497 111.335 108.800 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 0.096 175.024 174.900 0.047 0.000 0.981 520 G CA 0.113 45.241 45.100 0.045 0.000 0.670 520 G HN 1.016 nan 8.290 nan 0.000 0.528 521 A N -0.723 122.137 122.820 0.067 0.000 2.354 521 A HA 0.910 5.230 4.320 0.000 0.000 0.321 521 A C 0.191 177.861 177.584 0.143 0.000 1.125 521 A CA -0.181 51.907 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 0.764 nan 8.150 nan 0.000 0.452 522 R N 1.473 122.074 120.500 0.168 0.000 2.287 522 R HA 0.370 4.710 4.340 0.000 0.000 0.316 522 R C -1.626 174.845 176.300 0.285 0.000 1.050 522 R CA -0.197 56.006 56.100 0.171 0.000 0.983 522 R CB 0.532 30.897 30.300 0.108 0.000 1.140 522 R HN 0.767 nan 8.270 nan 0.000 0.528 523 W N 4.188 125.498 121.300 0.016 0.000 3.259 523 W HA 0.223 4.883 4.660 0.000 0.000 0.331 523 W C -1.275 175.239 176.519 -0.008 0.000 1.144 523 W CA -0.614 56.731 57.345 -0.000 0.000 1.227 523 W CB 2.146 31.611 29.460 0.008 0.000 1.371 523 W HN 0.585 nan 8.180 nan 0.000 0.491 524 S N 4.832 120.262 115.700 -0.450 0.000 2.537 524 S HA 0.510 4.980 4.470 0.000 0.000 0.275 524 S C -0.126 174.228 174.600 -0.411 0.000 1.272 524 S CA -0.670 57.315 58.200 -0.358 0.000 1.050 524 S CB 1.438 64.399 63.200 -0.399 0.000 0.961 524 S HN 0.429 nan 8.310 nan 0.000 0.496 525 L N 2.993 124.156 121.223 -0.100 0.000 2.499 525 L HA 0.061 4.401 4.340 0.000 0.000 0.273 525 L C 1.088 177.919 176.870 -0.065 0.000 1.195 525 L CA -0.372 54.486 54.840 0.030 0.000 0.882 525 L CB 0.095 42.224 42.059 0.116 0.000 1.133 525 L HN 0.738 nan 8.230 nan 0.000 0.483 526 D N 1.891 122.264 120.400 -0.046 0.000 2.190 526 D HA -0.217 4.423 4.640 0.000 0.000 0.200 526 D C 1.747 178.017 176.300 -0.049 0.000 0.992 526 D CA 1.702 55.643 54.000 -0.098 0.000 0.854 526 D CB 0.031 40.776 40.800 -0.092 0.000 0.936 526 D HN 0.510 nan 8.370 nan 0.000 0.462 527 Y N -0.179 120.150 120.300 0.049 0.000 2.293 527 Y HA -0.054 4.496 4.550 0.000 0.000 0.291 527 Y C 2.251 178.164 175.900 0.022 0.000 1.137 527 Y CA 0.674 58.799 58.100 0.042 0.000 1.202 527 Y CB -0.192 38.294 38.460 0.045 0.000 0.990 527 Y HN -0.021 nan 8.280 nan 0.000 0.537 528 M N -0.822 118.862 119.600 0.140 0.000 2.509 528 M HA -0.022 4.458 4.480 0.000 0.000 0.250 528 M C 1.011 177.304 176.300 -0.011 0.000 1.132 528 M CA 0.541 55.867 55.300 0.043 0.000 1.080 528 M CB -0.619 31.968 32.600 -0.020 0.000 1.408 528 M HN 0.137 nan 8.290 nan 0.000 0.484 529 D N 1.678 122.056 120.400 -0.036 0.000 2.133 529 D HA -0.148 4.492 4.640 0.000 0.000 0.195 529 D C 1.077 177.477 176.300 0.168 0.000 0.997 529 D CA 1.231 55.181 54.000 -0.085 0.000 0.840 529 D CB -0.189 40.511 40.800 -0.167 0.000 0.947 529 D HN 0.304 nan 8.370 nan 0.000 0.452 530 N N -0.153 118.691 118.700 0.241 0.000 2.313 530 N HA 0.044 4.784 4.740 0.000 0.000 0.207 530 N C -0.576 175.148 175.510 0.357 0.000 1.141 530 N CA 0.003 53.258 53.050 0.342 0.000 0.830 530 N CB 0.941 39.564 38.487 0.226 0.000 1.008 530 N HN -0.003 nan 8.380 nan 0.000 0.481 531 V N 1.540 121.574 119.914 0.201 0.000 2.439 531 V HA 0.137 4.257 4.120 0.000 0.000 0.282 531 V C 0.578 176.555 176.094 -0.195 0.000 1.039 531 V CA -1.173 61.178 62.300 0.084 0.000 0.913 531 V CB 1.433 33.282 31.823 0.043 0.000 0.983 531 V HN 0.194 nan 8.190 nan 0.000 0.460 532 N N 7.808 126.285 118.700 -0.372 0.000 2.386 532 N HA 0.006 4.746 4.740 0.000 0.000 0.273 532 N C -1.154 174.079 175.510 -0.461 0.000 1.331 532 N CA -1.044 51.474 53.050 -0.887 0.000 0.891 532 N CB 1.301 39.636 38.487 -0.254 0.000 1.139 532 N HN 0.406 nan 8.380 nan 0.000 0.487 533 P HA -0.064 nan 4.420 nan 0.000 0.229 533 P C 0.849 177.851 177.300 -0.497 0.000 1.160 533 P CA 0.916 63.633 63.100 -0.639 0.000 0.777 533 P CB 0.016 31.076 31.700 -1.067 0.000 0.814 534 F N 0.212 120.138 119.950 -0.040 0.000 2.512 534 F HA 0.071 4.598 4.527 0.000 0.000 0.296 534 F C 1.195 177.046 175.800 0.085 0.000 1.110 534 F CA 0.293 58.342 58.000 0.082 0.000 1.446 534 F CB -1.001 38.064 39.000 0.109 0.000 1.092 534 F HN -0.154 nan 8.300 nan 0.000 0.554 535 N N 1.242 120.068 118.700 0.211 0.000 2.895 535 N HA -0.010 4.730 4.740 0.000 0.000 0.277 535 N C -0.658 174.980 175.510 0.212 0.000 1.185 535 N CA 0.376 53.554 53.050 0.213 0.000 1.106 535 N CB -0.577 38.042 38.487 0.219 0.000 1.422 535 N HN 0.278 nan 8.380 nan 0.000 0.521 536 H N 0.587 119.685 119.070 0.047 0.000 3.012 536 H HA 0.062 4.618 4.556 0.000 0.000 0.367 536 H C 0.832 176.203 175.328 0.071 0.000 1.211 536 H CA -0.392 55.581 56.048 -0.125 0.000 1.139 536 H CB 1.249 30.738 29.762 -0.456 0.000 1.838 536 H HN 0.450 nan 8.280 nan 0.000 0.550 537 H N 2.590 121.701 119.070 0.068 0.000 2.559 537 H HA 0.080 4.636 4.556 0.000 0.000 0.273 537 H C 0.367 175.890 175.328 0.325 0.000 1.000 537 H CA 0.344 56.583 56.048 0.317 0.000 1.195 537 H CB 0.265 30.195 29.762 0.282 0.000 1.368 537 H HN 0.358 nan 8.280 nan 0.000 0.592 538 R N 1.086 121.613 120.500 0.044 0.000 2.466 538 R HA 0.076 4.416 4.340 0.000 0.000 0.279 538 R C -0.005 176.293 176.300 -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 0.705 119.437 118.700 0.054 0.000 2.415 539 N HA 0.061 4.801 4.740 0.000 0.000 0.250 539 N C 1.027 176.557 175.510 0.033 0.000 1.127 539 N CA -0.241 52.851 53.050 0.070 0.000 0.945 539 N CB 1.034 39.605 38.487 0.140 0.000 1.196 539 N HN 0.083 nan 8.380 nan 0.000 0.499 540 A N 3.668 126.518 122.820 0.049 0.000 1.908 540 A HA -0.128 4.192 4.320 0.000 0.000 0.218 540 A C 2.028 179.660 177.584 0.080 0.000 1.181 540 A CA 1.863 53.950 52.037 0.082 0.000 0.627 540 A CB -1.091 17.991 19.000 0.137 0.000 0.818 540 A HN 0.783 nan 8.150 nan 0.000 0.445 541 G N -0.116 108.714 108.800 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 0.712 121.926 121.223 -0.015 0.000 2.046 542 L HA 0.078 4.418 4.340 0.000 0.000 0.208 542 L C 2.675 179.497 176.870 -0.078 0.000 1.077 542 L CA 2.277 57.112 54.840 -0.008 0.000 0.747 542 L CB -0.762 41.329 42.059 0.054 0.000 0.896 542 L HN 0.260 nan 8.230 nan 0.000 0.432 543 R N -1.847 118.531 120.500 -0.202 0.000 2.091 543 R HA -0.269 4.071 4.340 0.000 0.000 0.238 543 R C 2.421 178.621 176.300 -0.167 0.000 1.136 543 R CA 2.059 57.874 56.100 -0.474 0.000 0.959 543 R CB -0.664 29.327 30.300 -0.516 0.000 0.856 543 R HN 0.576 nan 8.270 nan 0.000 0.437 544 Y N 0.670 120.872 120.300 -0.163 0.000 2.163 544 Y HA -0.168 4.382 4.550 0.000 0.000 0.288 544 Y C 2.140 177.983 175.900 -0.094 0.000 1.136 544 Y CA 1.767 59.804 58.100 -0.106 0.000 1.147 544 Y CB -0.020 38.330 38.460 -0.183 0.000 0.987 544 Y HN -0.038 nan 8.280 nan 0.000 0.509 545 R N -0.528 119.938 120.500 -0.057 0.000 2.148 545 R HA -0.132 4.208 4.340 0.000 0.000 0.227 545 R C 2.747 179.007 176.300 -0.065 0.000 1.103 545 R CA 1.206 57.251 56.100 -0.092 0.000 0.983 545 R CB -0.438 29.843 30.300 -0.031 0.000 0.874 545 R HN 0.298 nan 8.270 nan 0.000 0.451 546 S N 0.161 115.852 115.700 -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 1.034 59.290 58.200 0.094 0.000 0.982 546 S CB 0.054 63.434 63.200 0.299 0.000 0.853 546 S HN 0.215 nan 8.310 nan 0.000 0.458 547 M N 0.497 120.111 119.600 0.023 0.000 2.492 547 M HA 0.074 4.554 4.480 0.000 0.000 0.262 547 M C 1.728 177.975 176.300 -0.088 0.000 1.090 547 M CA 0.394 55.703 55.300 0.015 0.000 1.110 547 M CB -0.195 32.410 32.600 0.007 0.000 1.407 547 M HN 0.283 nan 8.290 nan 0.000 0.470 548 L N 0.395 121.493 121.223 -0.208 0.000 2.141 548 L HA -0.094 4.246 4.340 0.000 0.000 0.209 548 L C 1.926 178.767 176.870 -0.048 0.000 1.094 548 L CA 1.737 56.445 54.840 -0.220 0.000 0.763 548 L CB -0.379 41.494 42.059 -0.310 0.000 0.908 548 L HN 0.285 nan 8.230 nan 0.000 0.437 549 L N -1.890 119.333 121.223 0.001 0.000 2.209 549 L HA 0.305 4.645 4.340 0.000 0.000 0.207 549 L C 1.091 177.992 176.870 0.052 0.000 1.094 549 L CA 0.453 55.326 54.840 0.054 0.000 0.790 549 L CB -0.320 41.753 42.059 0.024 0.000 0.932 549 L HN 0.409 nan 8.230 nan 0.000 0.447 550 G N -0.051 108.783 108.800 0.056 0.000 2.346 550 G HA2 -0.157 3.803 3.960 0.000 0.000 0.294 550 G HA3 -0.157 3.803 3.960 0.000 0.000 0.294 550 G C -0.627 174.373 174.900 0.166 0.000 1.294 550 G CA -0.045 45.108 45.100 0.088 0.000 0.962 550 G HN 0.073 nan 8.290 nan 0.000 0.508 551 N N -0.045 118.766 118.700 0.186 0.000 2.187 551 N HA 0.339 5.079 4.740 0.000 0.000 0.212 551 N C 0.718 176.431 175.510 0.339 0.000 1.152 551 N CA 0.762 53.974 53.050 0.270 0.000 0.872 551 N CB 1.150 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 0.197 109.157 108.800 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 0.138 nan 8.290 nan 0.000 0.486 553 R N -0.765 119.712 120.500 -0.038 0.000 2.075 553 R HA -0.008 4.332 4.340 0.000 0.000 0.232 553 R C -0.254 175.778 176.300 -0.446 0.000 1.126 553 R CA 0.825 56.726 56.100 -0.332 0.000 0.963 553 R CB -0.238 29.742 30.300 -0.533 0.000 0.858 553 R HN 0.457 nan 8.270 nan 0.000 0.435 554 Y N 0.637 120.930 120.300 -0.012 0.000 2.383 554 Y HA 0.366 4.916 4.550 0.000 0.000 0.344 554 Y C -0.589 175.311 175.900 -0.000 0.000 0.986 554 Y CA -0.776 57.317 58.100 -0.012 0.000 1.175 554 Y CB 1.730 40.193 38.460 0.005 0.000 1.152 554 Y HN -0.243 nan 8.280 nan 0.000 0.511 555 V N 6.124 126.124 119.914 0.143 0.000 2.524 555 V HA 0.385 4.505 4.120 0.000 0.000 0.297 555 V C -2.496 173.708 176.094 0.184 0.000 1.035 555 V CA -2.015 60.365 62.300 0.134 0.000 0.867 555 V CB 2.274 34.148 31.823 0.085 0.000 1.004 555 V HN 0.544 nan 8.190 nan 0.000 0.426 556 P HA 0.371 nan 4.420 nan 0.000 0.292 556 P C -0.932 176.433 177.300 0.108 0.000 1.326 556 P CA -0.173 62.952 63.100 0.042 0.000 0.787 556 P CB 0.668 32.368 31.700 0.001 0.000 0.903 557 F N 1.193 121.219 119.950 0.127 0.000 2.440 557 F HA 0.650 5.177 4.527 0.000 0.000 0.328 557 F C -0.377 175.532 175.800 0.181 0.000 1.070 557 F CA -1.164 56.943 58.000 0.177 0.000 1.011 557 F CB 1.425 40.600 39.000 0.292 0.000 1.226 557 F HN 0.403 nan 8.300 nan 0.000 0.491 558 H N 3.873 123.085 119.070 0.237 0.000 3.181 558 H HA 0.581 5.137 4.556 0.000 0.000 0.331 558 H C -1.478 173.915 175.328 0.108 0.000 0.988 558 H CA -0.914 55.193 56.048 0.098 0.000 1.449 558 H CB 1.419 31.197 29.762 0.026 0.000 1.749 558 H HN 0.894 nan 8.280 nan 0.000 0.501 559 I N 0.951 121.641 120.570 0.200 0.000 3.145 559 I HA 0.534 4.704 4.170 0.000 0.000 0.313 559 I C -1.556 174.476 176.117 -0.141 0.000 1.122 559 I CA -1.274 59.972 61.300 -0.090 0.000 0.987 559 I CB 2.679 40.462 38.000 -0.362 0.000 1.236 559 I HN 0.389 nan 8.210 nan 0.000 0.453 560 Q N 2.383 122.060 119.800 -0.204 0.000 2.333 560 Q HA 0.628 4.968 4.340 0.000 0.000 0.268 560 Q C -1.219 174.837 176.000 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 4.858 124.878 119.914 0.176 0.000 2.417 561 V HA 0.576 4.696 4.120 0.000 0.000 0.291 561 V C -2.136 174.077 176.094 0.198 0.000 1.024 561 V CA -1.830 60.576 62.300 0.176 0.000 0.861 561 V CB 1.552 33.425 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 -1.249 175.892 177.300 -0.265 0.000 1.252 562 P CA -0.617 62.251 63.100 -0.387 0.000 0.811 562 P CB 1.327 32.450 31.700 -0.961 0.000 1.035 563 Q N 1.370 120.998 119.800 -0.286 0.000 2.274 563 Q HA 0.187 4.527 4.340 0.000 0.000 0.256 563 Q C 0.317 176.175 176.000 -0.236 0.000 0.927 563 Q CA 0.451 56.116 55.803 -0.230 0.000 0.939 563 Q CB 0.871 29.476 28.738 -0.222 0.000 1.201 563 Q HN 0.296 nan 8.270 nan 0.000 0.426 564 K N 3.409 123.703 120.400 -0.176 0.000 2.380 564 K HA 0.152 4.472 4.320 0.000 0.000 0.198 564 K C -0.328 176.195 176.600 -0.128 0.000 1.070 564 K CA -0.268 55.816 56.287 -0.338 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 2.848 122.723 119.950 -0.124 0.000 2.590 565 F HA -0.078 4.449 4.527 0.000 0.000 0.389 565 F C 1.110 176.897 175.800 -0.021 0.000 1.049 565 F CA -1.124 56.888 58.000 0.020 0.000 1.199 565 F CB 0.198 39.342 39.000 0.240 0.000 1.058 565 F HN 0.057 nan 8.300 nan 0.000 0.556 566 F N 4.297 123.924 119.950 -0.538 0.000 2.161 566 F HA -0.115 4.412 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 1.331 59.101 58.000 -0.384 0.000 1.282 566 F CB -1.209 37.623 39.000 -0.280 0.000 1.010 566 F HN 0.391 nan 8.300 nan 0.000 0.485 567 A N 1.195 123.068 122.820 -1.577 0.000 2.067 567 A HA 0.037 4.357 4.320 0.000 0.000 0.219 567 A C 2.102 179.380 177.584 -0.510 0.000 1.158 567 A CA 1.633 53.104 52.037 -0.943 0.000 0.661 567 A CB -1.116 17.456 19.000 -0.713 0.000 0.801 567 A HN 0.796 nan 8.150 nan 0.000 0.452 568 I N -4.742 115.615 120.570 -0.355 0.000 4.526 568 I HA 0.216 4.386 4.170 0.000 0.000 0.330 568 I C 1.620 177.537 176.117 -0.333 0.000 1.323 568 I CA 0.546 61.669 61.300 -0.296 0.000 1.218 568 I CB -0.000 37.955 38.000 -0.075 0.000 1.233 568 I HN 0.140 nan 8.210 nan 0.000 0.430 569 K N 1.975 122.194 120.400 -0.300 0.000 2.152 569 K HA -0.080 4.240 4.320 0.000 0.000 0.206 569 K C 0.562 177.021 176.600 -0.237 0.000 1.048 569 K CA 1.923 58.075 56.287 -0.224 0.000 0.933 569 K CB -0.176 32.244 32.500 -0.132 0.000 0.721 569 K HN 0.410 nan 8.250 nan 0.000 0.447 570 N N 0.813 119.291 118.700 -0.370 0.000 2.238 570 N HA 0.071 4.811 4.740 0.000 0.000 0.235 570 N C -0.630 174.748 175.510 -0.220 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 -0.389 0.000 2.453 571 L HA 0.203 4.543 4.340 0.000 0.000 0.272 571 L C -0.203 176.621 176.870 -0.077 0.000 1.182 571 L CA -0.225 54.501 54.840 -0.189 0.000 0.858 571 L CB 0.513 42.412 42.059 -0.267 0.000 1.120 571 L HN -0.023 nan 8.230 nan 0.000 0.474 572 L N 5.872 127.109 121.223 0.024 0.000 2.259 572 L HA 0.422 4.762 4.340 0.000 0.000 0.288 572 L C -0.837 176.004 176.870 -0.048 0.000 1.051 572 L CA 0.088 54.919 54.840 -0.014 0.000 0.824 572 L CB 0.607 42.682 42.059 0.025 0.000 1.206 572 L HN 0.592 nan 8.230 nan 0.000 0.429 573 L N 5.724 126.879 121.223 -0.112 0.000 2.290 573 L HA 0.390 4.730 4.340 0.000 0.000 0.284 573 L C -0.056 176.799 176.870 -0.025 0.000 1.078 573 L CA 0.226 54.969 54.840 -0.162 0.000 0.815 573 L CB 0.999 42.850 42.059 -0.346 0.000 1.162 573 L HN 0.557 nan 8.230 nan 0.000 0.435 574 L N 4.540 125.787 121.223 0.040 0.000 2.469 574 L HA 0.452 4.792 4.340 0.000 0.000 0.253 574 L C -2.006 175.001 176.870 0.227 0.000 1.143 574 L CA -2.105 52.806 54.840 0.119 0.000 0.804 574 L CB 0.097 42.211 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 -0.172 177.215 177.300 0.145 0.000 1.187 575 P CA 0.481 63.679 63.100 0.163 0.000 0.766 575 P CB 0.515 32.266 31.700 0.086 0.000 0.820 576 G N 0.635 109.476 108.800 0.069 0.000 2.368 576 G HA2 0.241 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 -0.353 0.000 1.329 576 G CA -0.608 44.373 45.100 -0.198 0.000 0.935 576 G HN 0.340 nan 8.290 nan 0.000 0.590 577 S N -0.228 115.148 115.700 -0.540 0.000 2.454 577 S HA 0.805 5.275 4.470 0.000 0.000 0.306 577 S C -1.300 172.942 174.600 -0.597 0.000 1.100 577 S CA -0.346 57.636 58.200 -0.365 0.000 1.087 577 S CB 0.832 63.941 63.200 -0.152 0.000 1.019 577 S HN 0.491 nan 8.310 nan 0.000 0.480 578 Y N 0.339 120.643 120.300 0.007 0.000 2.499 578 Y HA 0.500 5.050 4.550 0.000 0.000 0.347 578 Y C 0.629 176.562 175.900 0.055 0.000 0.987 578 Y CA -1.000 57.112 58.100 0.019 0.000 1.044 578 Y CB 1.458 39.910 38.460 -0.013 0.000 1.245 578 Y HN 0.442 nan 8.280 nan 0.000 0.461 579 T N 2.644 117.339 114.554 0.235 0.000 2.743 579 T HA 0.295 4.645 4.350 0.000 0.000 0.293 579 T C -1.511 173.394 174.700 0.342 0.000 0.945 579 T CA -0.200 62.034 62.100 0.223 0.000 1.030 579 T CB -0.294 68.662 68.868 0.146 0.000 0.912 579 T HN 0.635 nan 8.240 nan 0.000 0.483 580 Y N 4.443 124.877 120.300 0.224 0.000 2.345 580 Y HA 0.498 5.048 4.550 0.000 0.000 0.331 580 Y C -0.197 175.951 175.900 0.414 0.000 0.959 580 Y CA -0.897 57.382 58.100 0.299 0.000 1.204 580 Y CB 0.801 39.409 38.460 0.247 0.000 1.135 580 Y HN 0.689 nan 8.280 nan 0.000 0.477 581 E N 6.693 127.115 120.200 0.369 0.000 2.293 581 E HA 0.251 4.601 4.350 0.000 0.000 0.270 581 E C -1.987 174.689 176.600 0.127 0.000 0.879 581 E CA -0.607 55.901 56.400 0.180 0.000 0.756 581 E CB 1.852 31.584 29.700 0.054 0.000 1.208 581 E HN 0.724 nan 8.360 nan 0.000 0.428 582 W N 2.662 123.858 121.300 -0.174 0.000 3.118 582 W HA 0.398 5.058 4.660 0.000 0.000 0.328 582 W C -1.199 175.118 176.519 -0.337 0.000 1.239 582 W CA -0.622 56.520 57.345 -0.339 0.000 1.176 582 W CB 2.210 31.321 29.460 -0.581 0.000 1.433 582 W HN 0.525 nan 8.180 nan 0.000 0.562 583 N N 2.039 120.496 118.700 -0.405 0.000 2.361 583 N HA 0.503 5.243 4.740 0.000 0.000 0.302 583 N C -1.536 173.916 175.510 -0.096 0.000 1.074 583 N CA -0.244 52.729 53.050 -0.128 0.000 0.850 583 N CB 1.781 40.129 38.487 -0.231 0.000 1.228 583 N HN 0.041 nan 8.380 nan 0.000 0.491 584 F N 0.509 120.642 119.950 0.304 0.000 2.532 584 F HA 0.470 4.997 4.527 0.000 0.000 0.321 584 F C 0.986 177.006 175.800 0.367 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 1.596 122.290 120.500 0.323 0.000 2.531 585 R HA 0.367 4.707 4.340 0.000 0.000 0.273 585 R C 0.355 176.938 176.300 0.472 0.000 1.070 585 R CA -0.501 55.771 56.100 0.287 0.000 1.112 585 R CB 1.151 31.426 30.300 -0.042 0.000 1.049 585 R HN 0.701 nan 8.270 nan 0.000 0.508 586 K N 0.434 121.080 120.400 0.410 0.000 2.402 586 K HA 0.020 4.340 4.320 0.000 0.000 0.203 586 K C -0.337 176.390 176.600 0.211 0.000 1.077 586 K CA -0.106 56.346 56.287 0.274 0.000 1.051 586 K CB 0.513 33.150 32.500 0.228 0.000 0.907 586 K HN 0.475 nan 8.250 nan 0.000 0.554 587 D N 2.093 122.660 120.400 0.279 0.000 2.363 587 D HA -0.044 4.596 4.640 0.000 0.000 0.263 587 D C 1.375 177.775 176.300 0.167 0.000 1.258 587 D CA -0.081 54.081 54.000 0.270 0.000 0.907 587 D CB 1.225 42.206 40.800 0.301 0.000 1.107 587 D HN -0.046 nan 8.370 nan 0.000 0.495 588 V N 2.304 122.287 119.914 0.115 0.000 2.568 588 V HA -0.211 3.909 4.120 0.000 0.000 0.253 588 V C 1.585 177.707 176.094 0.048 0.000 1.072 588 V CA 1.354 63.682 62.300 0.046 0.000 1.084 588 V CB -0.601 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 -0.295 118.459 118.700 0.090 0.000 2.459 589 N HA 0.063 4.803 4.740 0.000 0.000 0.181 589 N C 1.527 177.171 175.510 0.222 0.000 1.046 589 N CA 1.301 54.412 53.050 0.101 0.000 0.904 589 N CB -0.037 38.509 38.487 0.098 0.000 0.964 589 N HN 0.458 nan 8.380 nan 0.000 0.444 590 M N -0.622 119.090 119.600 0.187 0.000 2.718 590 M HA 0.096 4.576 4.480 0.000 0.000 0.259 590 M C 2.054 178.442 176.300 0.146 0.000 1.240 590 M CA 0.646 56.041 55.300 0.158 0.000 1.210 590 M CB -0.814 31.833 32.600 0.077 0.000 1.281 590 M HN 0.005 nan 8.290 nan 0.000 0.515 591 V N -1.502 118.507 119.914 0.158 0.000 2.951 591 V HA 0.160 4.280 4.120 0.000 0.000 0.255 591 V C 1.047 177.254 176.094 0.188 0.000 1.088 591 V CA 0.452 62.891 62.300 0.232 0.000 1.109 591 V CB -0.499 31.509 31.823 0.309 0.000 0.724 591 V HN 0.188 nan 8.190 nan 0.000 0.471 592 L N 0.852 122.101 121.223 0.042 0.000 2.334 592 L HA 0.641 4.981 4.340 0.000 0.000 0.270 592 L C -0.378 176.470 176.870 -0.037 0.000 1.018 592 L CA -0.395 54.397 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 1.060 120.826 119.800 -0.057 0.000 2.331 593 Q HA 0.525 4.865 4.340 0.000 0.000 0.272 593 Q C -1.476 174.509 176.000 -0.026 0.000 1.062 593 Q CA -0.539 55.244 55.803 -0.035 0.000 0.806 593 Q CB 2.587 31.333 28.738 0.013 0.000 1.312 593 Q HN 0.771 nan 8.270 nan 0.000 0.431 594 S N 0.597 116.275 115.700 -0.035 0.000 2.600 594 S HA 0.404 4.874 4.470 0.000 0.000 0.300 594 S C 0.566 175.206 174.600 0.067 0.000 1.087 594 S CA -0.078 58.134 58.200 0.020 0.000 0.965 594 S CB 1.701 64.888 63.200 -0.022 0.000 1.089 594 S HN 0.719 nan 8.310 nan 0.000 0.496 595 S N 0.965 116.755 115.700 0.150 0.000 2.436 595 S HA 0.010 4.480 4.470 0.000 0.000 0.228 595 S C 1.361 176.071 174.600 0.183 0.000 1.014 595 S CA 0.248 58.570 58.200 0.205 0.000 0.950 595 S CB -0.541 62.852 63.200 0.322 0.000 0.784 595 S HN 0.495 nan 8.310 nan 0.000 0.504 596 L N 1.515 122.811 121.223 0.122 0.000 2.375 596 L HA 0.390 4.730 4.340 0.000 0.000 0.215 596 L C 1.936 178.841 176.870 0.059 0.000 1.108 596 L CA 1.162 56.058 54.840 0.093 0.000 0.830 596 L CB -1.284 40.816 42.059 0.068 0.000 0.959 596 L HN 0.591 nan 8.230 nan 0.000 0.457 597 G N 0.136 108.926 108.800 -0.017 0.000 2.143 597 G HA2 -0.307 3.653 3.960 0.000 0.000 0.248 597 G HA3 -0.307 3.653 3.960 0.000 0.000 0.248 597 G C 0.390 175.213 174.900 -0.129 0.000 0.991 597 G CA 0.463 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 0.503 119.178 118.700 -0.041 0.000 2.371 598 N HA 0.241 4.981 4.740 0.000 0.000 0.243 598 N C -0.383 175.089 175.510 -0.062 0.000 1.287 598 N CA -0.054 52.989 53.050 -0.010 0.000 0.911 598 N CB 0.609 39.131 38.487 0.059 0.000 1.142 598 N HN 0.115 nan 8.380 nan 0.000 0.451 599 D N 0.579 120.955 120.400 -0.040 0.000 2.348 599 D HA 0.070 4.710 4.640 0.000 0.000 0.259 599 D C 1.036 177.311 176.300 -0.042 0.000 1.296 599 D CA -0.207 53.758 54.000 -0.058 0.000 0.931 599 D CB 0.021 40.800 40.800 -0.036 0.000 1.067 599 D HN 0.481 nan 8.370 nan 0.000 0.503 600 L N 3.729 124.916 121.223 -0.059 0.000 2.362 600 L HA -0.066 4.274 4.340 0.000 0.000 0.219 600 L C 2.403 179.260 176.870 -0.021 0.000 1.134 600 L CA 0.451 55.262 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 -0.621 119.879 120.500 -0.001 0.000 2.090 601 R HA -0.057 4.283 4.340 0.000 0.000 0.228 601 R C 2.176 178.490 176.300 0.023 0.000 1.110 601 R CA 0.970 57.089 56.100 0.031 0.000 0.973 601 R CB -0.446 29.892 30.300 0.064 0.000 0.869 601 R HN 0.203 nan 8.270 nan 0.000 0.440 602 V N 1.558 121.480 119.914 0.012 0.000 2.535 602 V HA -0.108 4.012 4.120 0.000 0.000 0.246 602 V C 0.804 176.902 176.094 0.007 0.000 1.045 602 V CA 1.460 63.767 62.300 0.012 0.000 1.058 602 V CB -0.196 31.633 31.823 0.009 0.000 0.689 602 V HN 0.165 nan 8.190 nan 0.000 0.461 603 D N 0.507 120.905 120.400 -0.003 0.000 2.519 603 D HA 0.230 4.870 4.640 0.000 0.000 0.238 603 D C 1.613 177.895 176.300 -0.030 0.000 1.192 603 D CA 0.874 54.866 54.000 -0.012 0.000 0.835 603 D CB -0.083 40.708 40.800 -0.015 0.000 0.975 603 D HN 0.456 nan 8.370 nan 0.000 0.490 604 G N 0.610 109.400 108.800 -0.017 0.000 2.166 604 G HA2 -0.295 3.665 3.960 0.000 0.000 0.260 604 G HA3 -0.295 3.665 3.960 0.000 0.000 0.260 604 G C 0.645 175.525 174.900 -0.033 0.000 0.986 604 G CA 0.305 45.394 45.100 -0.018 0.000 0.683 604 G HN 0.617 nan 8.290 nan 0.000 0.527 605 A N -0.543 122.248 122.820 -0.049 0.000 2.462 605 A HA 0.742 5.062 4.320 0.000 0.000 0.243 605 A C 0.656 178.211 177.584 -0.049 0.000 1.076 605 A CA 1.105 53.098 52.037 -0.074 0.000 0.773 605 A CB 0.899 19.843 19.000 -0.094 0.000 1.010 605 A HN 1.643 nan 8.150 nan 0.000 0.493 606 S N 0.928 116.595 115.700 -0.055 0.000 2.546 606 S HA 0.721 5.191 4.470 0.000 0.000 0.274 606 S C -1.141 173.429 174.600 -0.048 0.000 1.121 606 S CA -0.519 57.660 58.200 -0.034 0.000 0.887 606 S CB 0.916 64.113 63.200 -0.004 0.000 1.094 606 S HN 1.004 nan 8.310 nan 0.000 0.474 607 I N 2.848 123.377 120.570 -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 -0.197 0.000 1.161 607 I CA -0.565 60.676 61.300 -0.099 0.000 1.032 607 I CB 1.890 39.793 38.000 -0.161 0.000 1.244 607 I HN 0.731 nan 8.210 nan 0.000 0.421 608 K N 6.677 126.974 120.400 -0.172 0.000 2.468 608 K HA 0.492 4.812 4.320 0.000 0.000 0.252 608 K C -1.989 174.468 176.600 -0.239 0.000 0.932 608 K CA -0.516 55.635 56.287 -0.227 0.000 0.794 608 K CB 1.572 34.019 32.500 -0.088 0.000 1.241 608 K HN 0.491 nan 8.250 nan 0.000 0.428 609 F N 3.788 123.677 119.950 -0.100 0.000 2.371 609 F HA 0.165 4.692 4.527 0.000 0.000 0.363 609 F C 0.944 176.570 175.800 -0.291 0.000 1.122 609 F CA -0.739 57.084 58.000 -0.296 0.000 1.129 609 F CB 1.256 39.816 39.000 -0.734 0.000 1.173 609 F HN 0.636 nan 8.300 nan 0.000 0.489 610 D N 0.991 121.356 120.400 -0.058 0.000 2.149 610 D HA -0.042 4.598 4.640 0.000 0.000 0.206 610 D C 0.738 177.018 176.300 -0.034 0.000 0.967 610 D CA 1.147 55.113 54.000 -0.057 0.000 0.848 610 D CB 0.297 41.036 40.800 -0.101 0.000 0.998 610 D HN 0.443 nan 8.370 nan 0.000 0.474 611 S N -0.657 114.999 115.700 -0.075 0.000 2.537 611 S HA 0.596 5.066 4.470 0.000 0.000 0.270 611 S C -1.023 173.546 174.600 -0.051 0.000 1.142 611 S CA -0.985 57.199 58.200 -0.028 0.000 0.870 611 S CB 2.181 65.372 63.200 -0.016 0.000 1.112 611 S HN 0.120 nan 8.310 nan 0.000 0.466 612 I N 1.821 122.407 120.570 0.028 0.000 2.534 612 I HA 0.700 4.870 4.170 0.000 0.000 0.288 612 I C -1.311 174.984 176.117 0.297 0.000 1.077 612 I CA -0.366 60.973 61.300 0.065 0.000 1.051 612 I CB 1.132 39.076 38.000 -0.094 0.000 1.234 612 I HN 0.967 nan 8.210 nan 0.000 0.425 613 C N 5.948 125.438 119.300 0.316 0.000 2.771 613 C HA 0.709 5.170 4.460 0.000 0.000 0.333 613 C C -0.669 174.425 174.990 0.175 0.000 1.267 613 C CA -0.641 58.574 59.018 0.327 0.000 1.721 613 C CB 1.767 29.622 27.740 0.192 0.000 2.222 613 C HN 0.668 nan 8.230 nan 0.000 0.485 614 L N 1.640 122.797 121.223 -0.110 0.000 2.333 614 L HA 0.621 4.961 4.340 0.000 0.000 0.280 614 L C -1.476 175.283 176.870 -0.185 0.000 1.004 614 L CA -0.039 54.632 54.840 -0.283 0.000 0.820 614 L CB 0.454 42.079 42.059 -0.724 0.000 1.247 614 L HN 0.664 nan 8.230 nan 0.000 0.416 615 Y N 3.579 123.692 120.300 -0.312 0.000 2.446 615 Y HA 0.829 5.379 4.550 0.000 0.000 0.338 615 Y C 0.135 175.852 175.900 -0.305 0.000 1.055 615 Y CA -0.323 57.567 58.100 -0.349 0.000 1.101 615 Y CB 2.296 40.335 38.460 -0.702 0.000 1.221 615 Y HN 0.777 nan 8.280 nan 0.000 0.460 616 A N 1.589 124.456 122.820 0.079 0.000 2.459 616 A HA 0.732 5.052 4.320 0.000 0.000 0.296 616 A C -1.135 176.509 177.584 0.099 0.000 1.039 616 A CA -0.694 51.358 52.037 0.024 0.000 0.698 616 A CB 1.111 20.178 19.000 0.110 0.000 1.261 616 A HN 0.586 nan 8.150 nan 0.000 0.405 617 T N 2.072 116.612 114.554 -0.024 0.000 2.823 617 T HA 0.676 5.026 4.350 0.000 0.000 0.279 617 T C -1.056 173.649 174.700 0.008 0.000 0.998 617 T CA 0.081 62.255 62.100 0.124 0.000 0.994 617 T CB 0.325 69.276 68.868 0.137 0.000 0.960 617 T HN 0.331 nan 8.240 nan 0.000 0.448 618 F N 1.933 121.953 119.950 0.117 0.000 2.482 618 F HA 0.508 5.035 4.527 0.000 0.000 0.331 618 F C 0.041 175.936 175.800 0.160 0.000 1.115 618 F CA -1.849 56.237 58.000 0.142 0.000 0.955 618 F CB 0.913 39.990 39.000 0.129 0.000 1.136 618 F HN 0.531 nan 8.300 nan 0.000 0.452 619 F N 6.325 126.406 119.950 0.217 0.000 2.578 619 F HA 0.243 4.770 4.527 0.000 0.000 0.376 619 F C -1.602 174.302 175.800 0.173 0.000 1.085 619 F CA -1.881 56.209 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 0.241 nan 8.300 nan 0.000 0.573 620 P HA 0.004 nan 4.420 nan 0.000 0.225 620 P C -0.265 177.041 177.300 0.010 0.000 1.768 620 P CA 0.004 63.054 63.100 -0.084 0.000 0.943 620 P CB -0.126 31.466 31.700 -0.180 0.000 1.936 621 M N 1.515 121.326 119.600 0.351 0.000 2.249 621 M HA 0.245 4.725 4.480 0.000 0.000 0.340 621 M C 0.308 176.768 176.300 0.266 0.000 1.166 621 M CA -0.115 55.459 55.300 0.457 0.000 1.115 621 M CB 0.639 33.524 32.600 0.475 0.000 1.606 621 M HN 0.162 nan 8.290 nan 0.000 0.448 622 A N 3.689 126.628 122.820 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 -0.143 51.958 52.037 0.105 0.000 0.758 622 A CB -0.068 18.989 19.000 0.095 0.000 0.991 622 A HN 1.013 nan 8.150 nan 0.000 0.502 623 H N 2.313 121.429 119.070 0.077 0.000 2.422 623 H HA -0.153 4.403 4.556 0.000 0.000 0.298 623 H C 2.032 177.398 175.328 0.063 0.000 1.098 623 H CA 2.026 58.114 56.048 0.067 0.000 1.315 623 H CB -0.109 29.683 29.762 0.050 0.000 1.382 623 H HN 0.894 nan 8.280 nan 0.000 0.523 624 N N 0.252 119.062 118.700 0.184 0.000 2.188 624 N HA -0.100 4.640 4.740 0.000 0.000 0.184 624 N C 1.522 177.095 175.510 0.105 0.000 1.018 624 N CA 1.598 54.721 53.050 0.122 0.000 0.858 624 N CB -0.787 37.759 38.487 0.099 0.000 0.989 624 N HN 0.204 nan 8.380 nan 0.000 0.426 625 T N 1.215 115.837 114.554 0.113 0.000 2.737 625 T HA 0.097 4.447 4.350 0.000 0.000 0.265 625 T C 2.202 176.958 174.700 0.093 0.000 1.038 625 T CA 1.580 63.736 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 1.313 124.209 122.820 0.128 0.000 1.908 626 A HA -0.124 4.196 4.320 0.000 0.000 0.218 626 A C 2.574 180.207 177.584 0.081 0.000 1.181 626 A CA 2.197 54.305 52.037 0.117 0.000 0.627 626 A CB -1.155 17.941 19.000 0.160 0.000 0.818 626 A HN 0.458 nan 8.150 nan 0.000 0.445 627 S N -1.136 114.611 115.700 0.079 0.000 2.370 627 S HA -0.156 4.314 4.470 0.000 0.000 0.226 627 S C 2.043 176.671 174.600 0.047 0.000 1.033 627 S CA 2.306 60.539 58.200 0.055 0.000 1.011 627 S CB -0.607 62.627 63.200 0.056 0.000 0.852 627 S HN 0.609 nan 8.310 nan 0.000 0.457 628 T N 2.361 116.946 114.554 0.051 0.000 2.812 628 T HA 0.011 4.361 4.350 0.000 0.000 0.264 628 T C 1.682 176.401 174.700 0.032 0.000 1.042 628 T CA 1.290 63.414 62.100 0.040 0.000 1.140 628 T CB -0.448 68.445 68.868 0.042 0.000 0.870 628 T HN 0.354 nan 8.240 nan 0.000 0.445 629 L N 1.633 122.877 121.223 0.035 0.000 2.083 629 L HA -0.024 4.316 4.340 0.000 0.000 0.209 629 L C 2.417 179.302 176.870 0.025 0.000 1.083 629 L CA 1.917 56.773 54.840 0.025 0.000 0.752 629 L CB -0.609 41.465 42.059 0.024 0.000 0.899 629 L HN 0.320 nan 8.230 nan 0.000 0.433 630 E N -0.370 119.850 120.200 0.033 0.000 2.077 630 E HA -0.242 4.108 4.350 0.000 0.000 0.193 630 E C 2.074 178.684 176.600 0.016 0.000 0.989 630 E CA 1.217 57.635 56.400 0.029 0.000 0.800 630 E CB -0.239 29.484 29.700 0.037 0.000 0.746 630 E HN 0.587 nan 8.360 nan 0.000 0.452 631 A N 1.093 123.924 122.820 0.018 0.000 1.902 631 A HA -0.189 4.131 4.320 0.000 0.000 0.217 631 A C 2.266 179.853 177.584 0.006 0.000 1.181 631 A CA 1.857 53.901 52.037 0.011 0.000 0.623 631 A CB -0.545 18.465 19.000 0.018 0.000 0.818 631 A HN 0.351 nan 8.150 nan 0.000 0.443 632 M N -0.689 118.917 119.600 0.010 0.000 2.132 632 M HA -0.053 4.427 4.480 0.000 0.000 0.263 632 M C 1.832 178.135 176.300 0.006 0.000 1.065 632 M CA 1.264 56.568 55.300 0.008 0.000 1.122 632 M CB -0.447 32.157 32.600 0.008 0.000 1.365 632 M HN 0.326 nan 8.290 nan 0.000 0.411 633 L N -0.653 120.573 121.223 0.005 0.000 2.551 633 L HA -0.088 4.252 4.340 0.000 0.000 0.228 633 L C 2.160 179.028 176.870 -0.003 0.000 1.153 633 L CA 0.506 55.349 54.840 0.005 0.000 0.851 633 L CB -0.469 41.595 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 -0.034 0.000 0.943 634 R CA -0.088 55.972 56.100 -0.067 0.000 1.038 634 R CB 0.083 30.327 30.300 -0.093 0.000 0.957 634 R HN 0.345 nan 8.270 nan 0.000 0.484 635 N N 1.638 120.350 118.700 0.019 0.000 2.514 635 N HA -0.026 4.714 4.740 0.000 0.000 0.277 635 N C 0.147 175.724 175.510 0.113 0.000 1.126 635 N CA 0.108 53.194 53.050 0.059 0.000 0.978 635 N CB 1.331 39.835 38.487 0.030 0.000 1.106 635 N HN 0.110 nan 8.380 nan 0.000 0.461 636 D N -0.360 120.130 120.400 0.151 0.000 2.221 636 D HA -0.184 4.456 4.640 0.000 0.000 0.204 636 D C 1.501 177.803 176.300 0.002 0.000 0.982 636 D CA 1.173 55.206 54.000 0.053 0.000 0.857 636 D CB -0.223 40.468 40.800 -0.182 0.000 0.934 636 D HN 0.522 nan 8.370 nan 0.000 0.475 637 T N -0.602 113.954 114.554 0.003 0.000 2.833 637 T HA -0.221 4.129 4.350 0.000 0.000 0.269 637 T C 1.276 175.970 174.700 -0.010 0.000 1.054 637 T CA 1.371 63.464 62.100 -0.011 0.000 1.135 637 T CB -0.498 68.366 68.868 -0.008 0.000 0.869 637 T HN 0.071 nan 8.240 nan 0.000 0.466 638 N N 1.235 119.938 118.700 0.006 0.000 2.320 638 N HA 0.144 4.884 4.740 0.000 0.000 0.237 638 N C -1.019 174.493 175.510 0.005 0.000 1.129 638 N CA -0.412 52.637 53.050 -0.002 0.000 0.854 638 N CB -0.151 38.337 38.487 0.001 0.000 1.083 638 N HN 0.324 nan 8.380 nan 0.000 0.504 639 D N 0.857 121.267 120.400 0.015 0.000 2.423 639 D HA 0.017 4.657 4.640 0.000 0.000 0.238 639 D C 0.306 176.580 176.300 -0.042 0.000 1.142 639 D CA 0.561 54.579 54.000 0.028 0.000 0.884 639 D CB 0.770 41.589 40.800 0.031 0.000 1.199 639 D HN 0.318 nan 8.370 nan 0.000 0.438 640 Q N 0.152 119.923 119.800 -0.048 0.000 2.312 640 Q HA 0.514 4.854 4.340 0.000 0.000 0.236 640 Q C -0.339 175.484 176.000 -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 29.924 28.738 -0.073 0.000 1.225 640 Q HN 0.512 nan 8.270 nan 0.000 0.478 641 S N 0.392 115.690 115.700 -0.670 0.000 2.533 641 S HA 0.758 5.228 4.470 0.000 0.000 0.271 641 S C -1.373 172.722 174.600 -0.841 0.000 1.143 641 S CA -0.849 57.047 58.200 -0.506 0.000 0.891 641 S CB 0.784 63.845 63.200 -0.231 0.000 1.105 641 S HN 0.410 nan 8.310 nan 0.000 0.468 642 F N 1.428 121.416 119.950 0.064 0.000 2.613 642 F HA 0.660 5.187 4.527 0.000 0.000 0.314 642 F C -0.141 175.786 175.800 0.211 0.000 1.075 642 F CA -0.779 57.299 58.000 0.130 0.000 0.945 642 F CB 1.907 40.997 39.000 0.149 0.000 1.310 642 F HN 0.830 nan 8.300 nan 0.000 0.467 643 N N -0.145 118.741 118.700 0.310 0.000 2.229 643 N HA 0.268 5.008 4.740 0.000 0.000 0.298 643 N C -1.864 173.524 175.510 -0.203 0.000 1.114 643 N CA -0.611 52.451 53.050 0.020 0.000 0.776 643 N CB 2.291 40.782 38.487 0.007 0.000 1.501 643 N HN 0.632 nan 8.380 nan 0.000 0.474 644 D N 0.250 120.151 120.400 -0.832 0.000 2.424 644 D HA -0.013 4.627 4.640 0.000 0.000 0.244 644 D C 0.901 177.047 176.300 -0.257 0.000 1.134 644 D CA -0.110 53.475 54.000 -0.691 0.000 0.881 644 D CB 0.563 40.782 40.800 -0.968 0.000 1.191 644 D HN 0.500 nan 8.370 nan 0.000 0.445 645 Y N 3.623 123.815 120.300 -0.180 0.000 2.145 645 Y HA -0.161 4.389 4.550 0.000 0.000 0.286 645 Y C 1.744 177.550 175.900 -0.158 0.000 1.145 645 Y CA 1.434 59.455 58.100 -0.133 0.000 1.148 645 Y CB -0.254 38.151 38.460 -0.090 0.000 0.981 645 Y HN 0.531 nan 8.280 nan 0.000 0.507 646 L N 0.526 121.716 121.223 -0.055 0.000 2.083 646 L HA -0.094 4.246 4.340 0.000 0.000 0.209 646 L C 1.123 177.847 176.870 -0.244 0.000 1.083 646 L CA 1.748 56.510 54.840 -0.131 0.000 0.752 646 L CB -0.847 41.188 42.059 -0.039 0.000 0.899 646 L HN 0.217 nan 8.230 nan 0.000 0.433 647 S N -0.048 115.493 115.700 -0.264 0.000 3.356 647 S HA 0.012 4.482 4.470 0.000 0.000 0.376 647 S C 0.055 174.521 174.600 -0.223 0.000 0.924 647 S CA 0.498 58.524 58.200 -0.289 0.000 1.316 647 S CB -1.626 61.336 63.200 -0.396 0.000 0.922 647 S HN 0.945 nan 8.310 nan 0.000 0.553 648 A N 0.561 123.300 122.820 -0.135 0.000 2.612 648 A HA 0.866 5.186 4.320 0.000 0.000 0.293 648 A C -0.520 177.054 177.584 -0.017 0.000 1.075 648 A CA -0.090 51.899 52.037 -0.080 0.000 0.680 648 A CB 1.058 20.012 19.000 -0.078 0.000 1.279 648 A HN 1.505 nan 8.150 nan 0.000 0.411 649 A N 1.617 124.418 122.820 -0.033 0.000 2.274 649 A HA 0.637 4.957 4.320 0.000 0.000 0.309 649 A C -0.389 177.264 177.584 0.115 0.000 1.226 649 A CA -0.631 51.384 52.037 -0.036 0.000 0.853 649 A CB 0.099 18.893 19.000 -0.343 0.000 1.146 649 A HN 0.670 nan 8.150 nan 0.000 0.518 650 N N 3.274 122.091 118.700 0.195 0.000 2.425 650 N HA 0.426 5.166 4.740 0.000 0.000 0.268 650 N C -0.913 174.783 175.510 0.311 0.000 0.991 650 N CA -0.228 53.038 53.050 0.361 0.000 0.931 650 N CB 1.414 40.157 38.487 0.427 0.000 1.130 650 N HN 0.531 nan 8.380 nan 0.000 0.493 651 M N 2.495 122.333 119.600 0.397 0.000 2.465 651 M HA 0.508 4.988 4.480 0.000 0.000 0.316 651 M C -0.548 175.833 176.300 0.135 0.000 1.121 651 M CA -0.547 54.875 55.300 0.203 0.000 0.934 651 M CB 1.791 34.621 32.600 0.383 0.000 1.692 651 M HN 0.249 nan 8.290 nan 0.000 0.444 652 L N 3.046 124.143 121.223 -0.210 0.000 2.381 652 L HA 0.534 4.874 4.340 0.000 0.000 0.274 652 L C -1.597 175.044 176.870 -0.383 0.000 0.988 652 L CA -0.645 54.105 54.840 -0.151 0.000 0.824 652 L CB 1.664 43.621 42.059 -0.169 0.000 1.263 652 L HN 0.563 nan 8.230 nan 0.000 0.410 653 Y N 3.442 123.779 120.300 0.061 0.000 2.341 653 Y HA 0.427 4.977 4.550 0.000 0.000 0.338 653 Y C -2.118 173.787 175.900 0.007 0.000 0.965 653 Y CA -2.667 55.455 58.100 0.037 0.000 1.108 653 Y CB 1.560 40.044 38.460 0.040 0.000 1.180 653 Y HN 0.354 nan 8.280 nan 0.000 0.458 654 P HA 0.203 nan 4.420 nan 0.000 0.271 654 P C -0.559 176.773 177.300 0.054 0.000 1.216 654 P CA 0.224 63.358 63.100 0.057 0.000 0.771 654 P CB 1.408 33.126 31.700 0.030 0.000 0.864 655 I N 4.753 125.335 120.570 0.021 0.000 2.437 655 I HA 0.257 4.427 4.170 0.000 0.000 0.279 655 I C -2.275 173.837 176.117 -0.009 0.000 1.028 655 I CA -2.776 58.524 61.300 -0.001 0.000 1.142 655 I CB 1.637 39.619 38.000 -0.031 0.000 1.266 655 I HN 0.062 nan 8.210 nan 0.000 0.461 656 P HA -0.016 nan 4.420 nan 0.000 0.267 656 P C -0.070 177.222 177.300 -0.014 0.000 1.201 656 P CA -0.125 62.970 63.100 -0.008 0.000 0.775 656 P CB 0.576 32.274 31.700 -0.003 0.000 0.854 657 A N 2.873 125.685 122.820 -0.013 0.000 2.567 657 A HA -0.019 4.301 4.320 0.000 0.000 0.240 657 A C 0.913 178.491 177.584 -0.010 0.000 1.053 657 A CA 0.795 52.825 52.037 -0.011 0.000 0.755 657 A CB -1.381 17.615 19.000 -0.008 0.000 0.978 657 A HN 0.829 nan 8.150 nan 0.000 0.507 658 N N -0.836 117.857 118.700 -0.012 0.000 2.900 658 N HA -0.223 4.517 4.740 0.000 0.000 0.240 658 N C 0.371 175.873 175.510 -0.015 0.000 0.953 658 N CA 0.537 53.581 53.050 -0.010 0.000 0.950 658 N CB -1.508 36.978 38.487 -0.002 0.000 1.102 658 N HN 1.219 nan 8.380 nan 0.000 0.593 659 A N 0.082 122.891 122.820 -0.018 0.000 2.483 659 A HA 0.368 4.688 4.320 0.000 0.000 0.238 659 A C 1.205 178.772 177.584 -0.028 0.000 1.070 659 A CA 1.017 53.043 52.037 -0.017 0.000 0.770 659 A CB 0.496 19.487 19.000 -0.014 0.000 1.008 659 A HN 0.230 nan 8.150 nan 0.000 0.497 660 T N 0.621 115.161 114.554 -0.023 0.000 2.964 660 T HA 0.122 4.472 4.350 0.000 0.000 0.249 660 T C 0.539 175.226 174.700 -0.022 0.000 1.000 660 T CA 0.359 62.441 62.100 -0.029 0.000 0.992 660 T CB -0.122 68.733 68.868 -0.022 0.000 1.087 660 T HN 0.711 nan 8.240 nan 0.000 0.489 661 N N 1.174 119.867 118.700 -0.011 0.000 2.392 661 N HA 0.463 5.203 4.740 0.000 0.000 0.283 661 N C -1.469 174.048 175.510 0.012 0.000 1.003 661 N CA -0.262 52.789 53.050 0.001 0.000 0.892 661 N CB 1.478 39.963 38.487 -0.003 0.000 1.193 661 N HN -0.155 nan 8.380 nan 0.000 0.487 662 V N 5.683 125.619 119.914 0.038 0.000 2.340 662 V HA 0.471 4.591 4.120 0.000 0.000 0.277 662 V C -2.282 173.854 176.094 0.070 0.000 1.017 662 V CA -1.218 61.109 62.300 0.045 0.000 0.820 662 V CB 1.236 33.076 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 -0.017 0.000 1.326 663 P CA -0.393 62.715 63.100 0.013 0.000 0.844 663 P CB 2.195 33.898 31.700 0.006 0.000 0.992 664 I N -0.774 119.768 120.570 -0.046 0.000 2.740 664 I HA 0.761 4.931 4.170 0.000 0.000 0.303 664 I C -0.917 175.194 176.117 -0.010 0.000 1.044 664 I CA -0.961 60.267 61.300 -0.120 0.000 1.064 664 I CB 2.547 40.282 38.000 -0.443 0.000 1.249 664 I HN 0.174 nan 8.210 nan 0.000 0.433 665 S N 5.465 121.197 115.700 0.053 0.000 2.614 665 S HA 0.640 5.110 4.470 0.000 0.000 0.288 665 S C -0.923 173.763 174.600 0.143 0.000 1.137 665 S CA -0.648 57.605 58.200 0.089 0.000 0.992 665 S CB 1.239 64.481 63.200 0.069 0.000 1.026 665 S HN 0.498 nan 8.310 nan 0.000 0.486 666 I N 6.717 127.387 120.570 0.167 0.000 2.330 666 I HA 0.386 4.556 4.170 0.000 0.000 0.289 666 I C -2.041 174.161 176.117 0.142 0.000 1.001 666 I CA -2.610 58.797 61.300 0.178 0.000 1.193 666 I CB 0.998 39.169 38.000 0.284 0.000 1.345 666 I HN 0.448 nan 8.210 nan 0.000 0.461 667 P HA -0.019 nan 4.420 nan 0.000 0.269 667 P C 0.186 177.524 177.300 0.063 0.000 1.209 667 P CA -0.093 63.043 63.100 0.060 0.000 0.776 667 P CB 0.668 32.383 31.700 0.025 0.000 0.876 668 S N 2.386 118.138 115.700 0.086 0.000 3.116 668 S HA -0.061 4.409 4.470 0.000 0.000 0.367 668 S C 0.469 175.085 174.600 0.028 0.000 1.202 668 S CA 0.351 58.617 58.200 0.111 0.000 1.018 668 S CB -0.585 62.653 63.200 0.064 0.000 0.726 668 S HN 0.728 nan 8.310 nan 0.000 0.506 669 R N 3.007 123.529 120.500 0.038 0.000 2.844 669 R HA 0.525 4.865 4.340 0.000 0.000 0.264 669 R C -1.197 174.979 176.300 -0.207 0.000 1.077 669 R CA -1.079 54.895 56.100 -0.210 0.000 0.953 669 R CB 0.295 30.267 30.300 -0.547 0.000 1.272 669 R HN 0.508 nan 8.270 nan 0.000 0.447 670 N N -0.560 117.936 118.700 -0.339 0.000 2.499 670 N HA 0.248 4.988 4.740 0.000 0.000 0.281 670 N C -1.016 174.247 175.510 -0.412 0.000 1.098 670 N CA -0.540 52.400 53.050 -0.183 0.000 0.979 670 N CB 0.644 39.066 38.487 -0.109 0.000 1.121 670 N HN 0.561 nan 8.380 nan 0.000 0.466 671 W N 2.326 123.648 121.300 0.037 0.000 2.862 671 W HA 0.488 5.148 4.660 -0.000 0.000 0.376 671 W C 0.536 177.111 176.519 0.092 0.000 1.028 671 W CA -0.535 56.813 57.345 0.005 0.000 1.757 671 W CB -0.242 29.211 29.460 -0.013 0.000 1.128 671 W HN 0.499 nan 8.180 nan 0.000 0.566 672 A N 1.066 124.043 122.820 0.261 0.000 2.565 672 A HA 0.367 4.687 4.320 0.000 0.000 0.237 672 A C 1.569 179.273 177.584 0.200 0.000 1.053 672 A CA 1.264 53.430 52.037 0.216 0.000 0.755 672 A CB -0.083 19.004 19.000 0.145 0.000 0.980 672 A HN 1.181 nan 8.150 nan 0.000 0.506 673 A N 1.217 124.156 122.820 0.198 0.000 3.396 673 A HA -0.196 4.124 4.320 0.000 0.000 0.267 673 A C 0.391 178.174 177.584 0.332 0.000 1.139 673 A CA 0.941 53.122 52.037 0.240 0.000 1.115 673 A CB -2.597 16.515 19.000 0.186 0.000 1.133 673 A HN 2.039 nan 8.150 nan 0.000 0.920 674 F N 1.424 121.440 119.950 0.109 0.000 2.608 674 F HA 0.379 4.906 4.527 0.000 0.000 0.380 674 F C 1.307 177.096 175.800 -0.020 0.000 1.083 674 F CA 0.612 58.613 58.000 0.000 0.000 1.266 674 F CB 0.369 39.276 39.000 -0.155 0.000 1.076 674 F HN 0.257 nan 8.300 nan 0.000 0.574 675 R N 3.152 123.242 120.500 -0.685 0.000 2.189 675 R HA 0.413 4.753 4.340 0.000 0.000 0.203 675 R C 0.777 176.584 176.300 -0.822 0.000 1.012 675 R CA 0.313 56.062 56.100 -0.586 0.000 1.015 675 R CB 0.055 30.069 30.300 -0.476 0.000 0.938 675 R HN 0.915 nan 8.270 nan 0.000 0.472 676 G N -0.699 107.085 108.800 -1.693 0.000 2.340 676 G HA2 -0.008 3.952 3.960 0.000 0.000 0.282 676 G HA3 -0.008 3.952 3.960 0.000 0.000 0.282 676 G C -1.838 172.546 174.900 -0.861 0.000 1.312 676 G CA -0.976 43.399 45.100 -1.209 0.000 0.942 676 G HN 0.025 nan 8.290 nan 0.000 0.495 677 W N -0.043 121.167 121.300 -0.152 0.000 2.781 677 W HA 0.756 5.416 4.660 0.000 0.000 0.345 677 W C 0.120 176.597 176.519 -0.069 0.000 1.085 677 W CA -0.267 57.034 57.345 -0.073 0.000 1.198 677 W CB 2.434 31.903 29.460 0.014 0.000 1.423 677 W HN 1.284 nan 8.180 nan 0.000 0.532 678 A N 2.741 125.648 122.820 0.144 0.000 2.486 678 A HA 0.938 5.258 4.320 0.000 0.000 0.300 678 A C -1.655 175.915 177.584 -0.023 0.000 1.048 678 A CA -0.551 51.455 52.037 -0.052 0.000 0.696 678 A CB 1.672 20.548 19.000 -0.206 0.000 1.278 678 A HN 0.671 nan 8.150 nan 0.000 0.405 679 F N -0.906 118.904 119.950 -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 -0.382 57.428 58.000 -0.317 0.000 0.943 679 F CB 1.135 40.020 39.000 -0.192 0.000 1.304 679 F HN 0.712 nan 8.300 nan 0.000 0.445 680 T N -0.436 114.073 114.554 -0.075 0.000 2.626 680 T HA 0.607 4.957 4.350 0.000 0.000 0.299 680 T C -1.712 173.276 174.700 0.480 0.000 1.181 680 T CA -1.191 60.928 62.100 0.031 0.000 1.053 680 T CB 1.993 70.645 68.868 -0.361 0.000 1.566 680 T HN 0.949 nan 8.240 nan 0.000 0.486 681 R N 0.114 120.845 120.500 0.385 0.000 2.574 681 R HA 0.742 5.082 4.340 0.000 0.000 0.288 681 R C -1.770 174.612 176.300 0.137 0.000 1.004 681 R CA -0.683 55.555 56.100 0.230 0.000 0.895 681 R CB 1.012 31.317 30.300 0.009 0.000 1.191 681 R HN 0.613 nan 8.270 nan 0.000 0.444 682 L N 2.680 123.984 121.223 0.134 0.000 2.323 682 L HA 0.579 4.919 4.340 0.000 0.000 0.265 682 L C -0.337 176.554 176.870 0.035 0.000 1.012 682 L CA -1.171 53.736 54.840 0.111 0.000 0.820 682 L CB 2.211 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 0.029 120.445 120.400 0.028 0.000 2.201 683 K HA 0.269 4.589 4.320 0.000 0.000 0.278 683 K C 0.536 177.128 176.600 -0.013 0.000 1.027 683 K CA -0.396 55.893 56.287 0.004 0.000 0.909 683 K CB 1.757 34.267 32.500 0.017 0.000 1.062 683 K HN 0.559 nan 8.250 nan 0.000 0.465 684 T N 2.346 116.889 114.554 -0.019 0.000 2.720 684 T HA -0.158 4.192 4.350 0.000 0.000 0.268 684 T C 1.336 176.024 174.700 -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 0.919 121.285 120.400 -0.055 0.000 2.211 685 K HA -0.088 4.232 4.320 0.000 0.000 0.204 685 K C 1.798 178.260 176.600 -0.230 0.000 1.047 685 K CA 1.100 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 0.137 120.170 120.200 -0.278 0.000 2.444 686 E HA 0.030 4.380 4.350 0.000 0.000 0.191 686 E C -0.524 176.131 176.600 0.092 0.000 1.041 686 E CA 0.144 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 3.836 118.452 114.554 0.104 0.000 2.912 687 T HA 0.217 4.567 4.350 0.000 0.000 0.326 687 T C -2.418 172.236 174.700 -0.077 0.000 1.080 687 T CA -1.495 60.616 62.100 0.019 0.000 1.000 687 T CB 1.347 70.167 68.868 -0.079 0.000 1.008 687 T HN 0.006 nan 8.240 nan 0.000 0.473 688 P HA 0.120 nan 4.420 nan 0.000 0.269 688 P C -0.096 176.985 177.300 -0.364 0.000 1.215 688 P CA -0.286 62.413 63.100 -0.668 0.000 0.780 688 P CB 0.762 31.732 31.700 -1.216 0.000 0.898 689 S N 2.439 117.974 115.700 -0.275 0.000 2.455 689 S HA 0.284 4.754 4.470 0.000 0.000 0.278 689 S C 0.102 174.595 174.600 -0.178 0.000 1.216 689 S CA -0.611 57.477 58.200 -0.186 0.000 1.055 689 S CB -0.916 62.224 63.200 -0.101 0.000 0.939 689 S HN 0.261 nan 8.310 nan 0.000 0.494 690 L N 4.318 125.447 121.223 -0.156 0.000 2.365 690 L HA 0.699 5.039 4.340 0.000 0.000 0.267 690 L C 1.620 178.470 176.870 -0.034 0.000 1.033 690 L CA -0.127 54.666 54.840 -0.078 0.000 0.802 690 L CB 1.019 43.052 42.059 -0.043 0.000 1.267 690 L HN 0.924 nan 8.230 nan 0.000 0.457 691 G N 0.271 109.083 108.800 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 0.212 175.119 174.900 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 1.421 117.117 115.700 -0.006 0.000 2.565 692 S HA 0.555 5.025 4.470 0.000 0.000 0.274 692 S C 1.524 176.128 174.600 0.006 0.000 1.309 692 S CA 0.750 58.941 58.200 -0.015 0.000 1.043 692 S CB 1.593 64.769 63.200 -0.039 0.000 0.939 692 S HN 1.649 nan 8.310 nan 0.000 0.504 693 G N 0.417 109.216 108.800 -0.002 0.000 2.535 693 G HA2 0.024 3.984 3.960 0.000 0.000 0.218 693 G HA3 0.024 3.984 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 0.507 45.639 45.100 0.052 0.000 0.769 693 G HN 0.836 nan 8.290 nan 0.000 0.549 694 Y N -0.404 119.629 120.300 -0.446 0.000 2.390 694 Y HA 0.388 4.938 4.550 0.000 0.000 0.324 694 Y C -2.001 173.745 175.900 -0.256 0.000 1.151 694 Y CA -1.444 56.386 58.100 -0.450 0.000 1.053 694 Y CB 1.950 39.914 38.460 -0.827 0.000 1.277 694 Y HN -0.051 nan 8.280 nan 0.000 0.432 695 D N 8.361 128.384 120.400 -0.627 0.000 2.443 695 D HA 0.306 4.946 4.640 0.000 0.000 0.221 695 D C -1.766 174.189 176.300 -0.575 0.000 1.097 695 D CA -2.511 51.223 54.000 -0.442 0.000 0.865 695 D CB 1.762 42.381 40.800 -0.301 0.000 1.034 695 D HN 0.363 nan 8.370 nan 0.000 0.511 696 P HA -0.153 nan 4.420 nan 0.000 0.220 696 P C 0.560 177.634 177.300 -0.377 0.000 1.148 696 P CA 1.004 63.850 63.100 -0.422 0.000 0.803 696 P CB 0.003 31.385 31.700 -0.530 0.000 0.782 697 Y N -2.501 117.794 120.300 -0.008 0.000 2.493 697 Y HA 0.186 4.736 4.550 0.000 0.000 0.275 697 Y C 0.920 176.863 175.900 0.072 0.000 1.183 697 Y CA -0.800 57.313 58.100 0.023 0.000 1.258 697 Y CB -0.624 37.847 38.460 0.017 0.000 1.108 697 Y HN -0.096 nan 8.280 nan 0.000 0.521 698 Y N 2.394 122.680 120.300 -0.023 0.000 2.595 698 Y HA 0.163 4.713 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 -0.704 57.392 58.100 -0.007 0.000 1.295 698 Y CB 0.465 38.875 38.460 -0.083 0.000 1.147 698 Y HN 0.086 nan 8.280 nan 0.000 0.515 699 T N 2.729 117.190 114.554 -0.156 0.000 3.327 699 T HA 0.231 4.581 4.350 0.000 0.000 0.244 699 T C -1.110 173.494 174.700 -0.161 0.000 1.074 699 T CA -0.447 61.572 62.100 -0.135 0.000 1.156 699 T CB -0.594 68.255 68.868 -0.031 0.000 1.087 699 T HN 0.528 nan 8.240 nan 0.000 0.575 700 Y N 0.977 120.915 120.300 -0.603 0.000 2.513 700 Y HA 0.552 5.102 4.550 0.000 0.000 0.340 700 Y C -0.095 175.548 175.900 -0.427 0.000 1.055 700 Y CA -0.896 56.924 58.100 -0.466 0.000 1.020 700 Y CB 2.116 40.309 38.460 -0.446 0.000 1.301 700 Y HN 0.209 nan 8.280 nan 0.000 0.453 701 S N 1.915 117.081 115.700 -0.889 0.000 2.952 701 S HA 0.469 4.939 4.470 0.000 0.000 0.251 701 S C 0.384 174.598 174.600 -0.644 0.000 1.021 701 S CA -0.012 57.837 58.200 -0.584 0.000 1.067 701 S CB -0.006 63.028 63.200 -0.276 0.000 1.002 701 S HN 0.988 nan 8.310 nan 0.000 0.574 702 G N 2.116 110.114 108.800 -1.337 0.000 2.531 702 G HA2 0.496 4.456 3.960 0.000 0.000 0.253 702 G HA3 0.496 4.456 3.960 0.000 0.000 0.253 702 G C 0.098 174.976 174.900 -0.038 0.000 1.439 702 G CA -0.128 44.674 45.100 -0.495 0.000 1.056 702 G HN 0.726 nan 8.290 nan 0.000 0.555 703 S N -1.283 114.542 115.700 0.208 0.000 2.576 703 S HA 0.377 4.847 4.470 0.000 0.000 0.276 703 S C -0.059 174.741 174.600 0.333 0.000 1.339 703 S CA -0.386 57.938 58.200 0.207 0.000 1.039 703 S CB 0.750 64.036 63.200 0.144 0.000 0.902 703 S HN 0.380 nan 8.310 nan 0.000 0.516 704 I N 3.262 123.966 120.570 0.223 0.000 2.503 704 I HA 0.276 4.446 4.170 0.000 0.000 0.277 704 I C -1.974 174.201 176.117 0.096 0.000 1.078 704 I CA -2.318 59.129 61.300 0.245 0.000 1.184 704 I CB 1.376 39.524 38.000 0.246 0.000 1.353 704 I HN 0.455 nan 8.210 nan 0.000 0.490 705 P HA -0.287 nan 4.420 nan 0.000 0.218 705 P C 1.570 178.713 177.300 -0.263 0.000 1.154 705 P CA 1.682 64.655 63.100 -0.212 0.000 0.872 705 P CB 0.027 31.749 31.700 0.036 0.000 0.790 706 Y N -0.210 120.081 120.300 -0.014 0.000 2.256 706 Y HA -0.195 4.355 4.550 0.000 0.000 0.288 706 Y C 1.841 177.751 175.900 0.017 0.000 1.155 706 Y CA 1.565 59.691 58.100 0.043 0.000 1.203 706 Y CB -0.565 37.847 38.460 -0.081 0.000 0.980 706 Y HN -0.126 nan 8.280 nan 0.000 0.530 707 L N -0.851 120.365 121.223 -0.011 0.000 2.388 707 L HA 0.058 4.398 4.340 0.000 0.000 0.209 707 L C 1.540 178.351 176.870 -0.098 0.000 1.061 707 L CA 0.874 55.684 54.840 -0.050 0.000 0.834 707 L CB -0.256 41.858 42.059 0.092 0.000 1.029 707 L HN 0.172 nan 8.230 nan 0.000 0.473 708 D N -0.827 119.491 120.400 -0.137 0.000 2.360 708 D HA 0.099 4.739 4.640 0.000 0.000 0.210 708 D C 1.441 177.554 176.300 -0.312 0.000 1.047 708 D CA 0.685 54.586 54.000 -0.165 0.000 0.854 708 D CB 0.407 41.143 40.800 -0.106 0.000 0.936 708 D HN 0.182 nan 8.370 nan 0.000 0.514 709 G N 0.465 108.924 108.800 -0.568 0.000 2.143 709 G HA2 -0.280 3.680 3.960 0.000 0.000 0.249 709 G HA3 -0.280 3.680 3.960 0.000 0.000 0.249 709 G C 0.673 175.157 174.900 -0.693 0.000 0.981 709 G CA 0.527 45.140 45.100 -0.813 0.000 0.665 709 G HN 0.684 nan 8.290 nan 0.000 0.528 710 T N -0.458 113.692 114.554 -0.673 0.000 3.820 710 T HA 0.555 4.905 4.350 0.000 0.000 0.224 710 T C 0.617 175.264 174.700 -0.089 0.000 0.869 710 T CA -0.546 61.140 62.100 -0.689 0.000 0.932 710 T CB -0.736 67.489 68.868 -1.072 0.000 1.259 710 T HN 0.301 nan 8.240 nan 0.000 0.676 711 F N 2.488 122.564 119.950 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 0.471 0.000 1.118 711 F CA -0.674 57.486 58.000 0.266 0.000 1.287 711 F CB 0.437 39.505 39.000 0.113 0.000 1.132 711 F HN 0.521 nan 8.300 nan 0.000 0.587 712 Y N -0.306 120.279 120.300 0.475 0.000 2.957 712 Y HA 0.435 4.985 4.550 0.000 0.000 0.274 712 Y C -0.409 175.721 175.900 0.383 0.000 1.065 712 Y CA -0.476 57.870 58.100 0.408 0.000 1.273 712 Y CB -0.866 37.827 38.460 0.389 0.000 1.358 712 Y HN 0.417 nan 8.280 nan 0.000 0.585 713 L N 0.924 122.129 121.223 -0.030 0.000 3.014 713 L HA 0.317 4.657 4.340 0.000 0.000 0.263 713 L C 0.979 177.834 176.870 -0.024 0.000 1.207 713 L CA -0.077 54.677 54.840 -0.142 0.000 1.017 713 L CB 0.110 41.993 42.059 -0.293 0.000 1.360 713 L HN 0.212 nan 8.230 nan 0.000 0.560 714 N N 0.606 119.418 118.700 0.186 0.000 2.364 714 N HA -0.176 4.564 4.740 0.000 0.000 0.183 714 N C 1.675 177.598 175.510 0.689 0.000 1.022 714 N CA 1.130 54.383 53.050 0.338 0.000 0.883 714 N CB -0.122 38.191 38.487 -0.290 0.000 0.965 714 N HN 0.589 nan 8.380 nan 0.000 0.438 715 H N -0.217 119.036 119.070 0.305 0.000 2.559 715 H HA 0.074 4.630 4.556 0.000 0.000 0.273 715 H C 1.031 176.390 175.328 0.051 0.000 1.000 715 H CA 1.233 57.275 56.048 -0.011 0.000 1.195 715 H CB -0.626 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 -0.553 61.391 62.100 -0.261 0.000 0.989 716 T CB -0.735 67.887 68.868 -0.411 0.000 0.992 716 T HN 0.013 nan 8.240 nan 0.000 0.540 717 F N 1.415 121.420 119.950 0.092 0.000 2.394 717 F HA 0.597 5.124 4.527 0.000 0.000 0.340 717 F C 1.369 177.147 175.800 -0.037 0.000 1.105 717 F CA -1.143 56.904 58.000 0.078 0.000 1.124 717 F CB 1.820 40.930 39.000 0.184 0.000 1.145 717 F HN -0.104 nan 8.300 nan 0.000 0.505 718 K N 2.231 122.680 120.400 0.082 0.000 2.161 718 K HA 0.185 4.505 4.320 0.000 0.000 0.205 718 K C -0.508 176.035 176.600 -0.095 0.000 1.035 718 K CA 0.725 57.005 56.287 -0.012 0.000 0.970 718 K CB 0.368 32.856 32.500 -0.021 0.000 0.866 718 K HN 0.647 nan 8.250 nan 0.000 0.461 719 K N -1.310 119.036 120.400 -0.089 0.000 2.579 719 K HA 0.478 4.798 4.320 0.000 0.000 0.284 719 K C -1.572 174.900 176.600 -0.213 0.000 0.990 719 K CA -1.118 55.067 56.287 -0.170 0.000 0.880 719 K CB 2.137 34.557 32.500 -0.133 0.000 1.488 719 K HN -0.169 nan 8.250 nan 0.000 0.425 720 V N 0.105 119.850 119.914 -0.281 0.000 2.686 720 V HA 0.737 4.857 4.120 0.000 0.000 0.306 720 V C -1.027 174.890 176.094 -0.294 0.000 1.065 720 V CA -0.738 61.253 62.300 -0.515 0.000 0.894 720 V CB 1.522 32.871 31.823 -0.790 0.000 1.004 720 V HN 0.967 nan 8.190 nan 0.000 0.424 721 A N 5.726 128.330 122.820 -0.360 0.000 2.318 721 A HA 0.923 5.243 4.320 0.000 0.000 0.317 721 A C -0.831 176.602 177.584 -0.253 0.000 1.159 721 A CA -0.482 51.441 52.037 -0.190 0.000 0.799 721 A CB 0.762 19.673 19.000 -0.149 0.000 1.194 721 A HN 0.784 nan 8.150 nan 0.000 0.479 722 I N 2.210 122.708 120.570 -0.119 0.000 2.406 722 I HA 0.455 4.625 4.170 0.000 0.000 0.290 722 I C -0.246 175.843 176.117 -0.047 0.000 0.999 722 I CA -0.186 61.005 61.300 -0.181 0.000 1.124 722 I CB 2.385 40.284 38.000 -0.168 0.000 1.289 722 I HN 0.607 nan 8.210 nan 0.000 0.441 723 T N 5.114 119.570 114.554 -0.164 0.000 2.907 723 T HA 0.592 4.942 4.350 0.000 0.000 0.292 723 T C -0.871 173.699 174.700 -0.216 0.000 1.043 723 T CA -0.549 61.513 62.100 -0.063 0.000 1.003 723 T CB 1.658 70.510 68.868 -0.028 0.000 1.084 723 T HN 0.140 nan 8.240 nan 0.000 0.483 724 F N 1.516 121.516 119.950 0.083 0.000 2.507 724 F HA 0.387 4.914 4.527 0.000 0.000 0.325 724 F C 0.902 176.766 175.800 0.107 0.000 1.116 724 F CA -0.387 57.649 58.000 0.059 0.000 0.930 724 F CB 1.722 40.745 39.000 0.038 0.000 1.146 724 F HN 0.806 nan 8.300 nan 0.000 0.447 725 D N 2.190 122.785 120.400 0.324 0.000 3.059 725 D HA -0.275 4.365 4.640 0.000 0.000 0.213 725 D C 0.301 176.678 176.300 0.128 0.000 1.144 725 D CA 1.556 55.684 54.000 0.214 0.000 0.975 725 D CB -1.046 39.887 40.800 0.222 0.000 1.125 725 D HN 1.000 nan 8.370 nan 0.000 0.412 726 S N -2.886 112.880 115.700 0.110 0.000 3.783 726 S HA -0.018 4.452 4.470 0.000 0.000 0.497 726 S C 0.810 175.452 174.600 0.070 0.000 0.804 726 S CA 1.493 59.734 58.200 0.068 0.000 1.361 726 S CB -1.886 61.344 63.200 0.051 0.000 0.873 726 S HN 2.049 nan 8.310 nan 0.000 0.671 727 S N -1.527 114.222 115.700 0.082 0.000 2.835 727 S HA -0.032 4.438 4.470 0.000 0.000 0.085 727 S C -0.053 174.605 174.600 0.097 0.000 0.622 727 S CA 0.188 58.433 58.200 0.074 0.000 1.515 727 S CB -0.789 62.450 63.200 0.066 0.000 0.919 727 S HN 1.737 nan 8.310 nan 0.000 0.278 728 V N 3.889 123.891 119.914 0.146 0.000 2.372 728 V HA 0.663 4.783 4.120 0.000 0.000 0.261 728 V C 0.737 176.979 176.094 0.245 0.000 1.055 728 V CA 0.278 62.686 62.300 0.179 0.000 0.930 728 V CB 0.643 32.586 31.823 0.201 0.000 1.031 728 V HN 0.635 nan 8.190 nan 0.000 0.479 729 S N 4.820 120.632 115.700 0.187 0.000 2.593 729 S HA 0.430 4.900 4.470 0.000 0.000 0.269 729 S C -0.894 173.914 174.600 0.348 0.000 1.334 729 S CA -0.308 58.017 58.200 0.209 0.000 1.015 729 S CB 0.608 63.867 63.200 0.098 0.000 0.912 729 S HN 0.687 nan 8.310 nan 0.000 0.541 730 W N 4.390 125.825 121.300 0.226 0.000 2.998 730 W HA 0.494 5.154 4.660 -0.000 0.000 0.335 730 W C -2.114 174.605 176.519 0.334 0.000 1.110 730 W CA -1.907 55.644 57.345 0.344 0.000 1.230 730 W CB 1.662 31.498 29.460 0.628 0.000 1.405 730 W HN 0.506 nan 8.180 nan 0.000 0.493 731 P HA 0.110 nan 4.420 nan 0.000 0.241 731 P C 0.940 177.958 177.300 -0.470 0.000 1.191 731 P CA 1.520 63.830 63.100 -1.317 0.000 0.771 731 P CB 0.372 31.292 31.700 -1.301 0.000 0.929 732 G N 2.065 110.729 108.800 -0.226 0.000 2.581 732 G HA2 -0.362 3.598 3.960 0.000 0.000 0.291 732 G HA3 -0.362 3.598 3.960 0.000 0.000 0.291 732 G C 0.318 175.135 174.900 -0.139 0.000 1.277 732 G CA 0.372 45.403 45.100 -0.115 0.000 0.959 732 G HN 0.343 nan 8.290 nan 0.000 0.554 733 N N 0.031 118.678 118.700 -0.088 0.000 2.681 733 N HA -0.215 4.525 4.740 0.000 0.000 0.250 733 N C 0.605 176.069 175.510 -0.076 0.000 1.133 733 N CA 2.440 55.441 53.050 -0.081 0.000 0.732 733 N CB -1.126 37.299 38.487 -0.103 0.000 1.107 733 N HN 1.685 nan 8.380 nan 0.000 0.559 734 D N -1.306 119.051 120.400 -0.073 0.000 2.751 734 D HA -0.223 4.417 4.640 0.000 0.000 0.233 734 D C 1.118 177.384 176.300 -0.056 0.000 1.149 734 D CA 1.179 55.144 54.000 -0.058 0.000 0.682 734 D CB -0.158 40.620 40.800 -0.037 0.000 1.068 734 D HN 0.397 nan 8.370 nan 0.000 0.429 735 R N -0.524 119.927 120.500 -0.082 0.000 2.062 735 R HA 0.120 4.460 4.340 0.000 0.000 0.226 735 R C 1.102 177.391 176.300 -0.020 0.000 1.125 735 R CA 0.573 56.641 56.100 -0.055 0.000 0.966 735 R CB -0.085 30.162 30.300 -0.088 0.000 0.861 735 R HN 0.329 nan 8.270 nan 0.000 0.433 736 L N 1.262 122.442 121.223 -0.071 0.000 2.421 736 L HA 0.165 4.505 4.340 0.000 0.000 0.263 736 L C 1.937 178.801 176.870 -0.009 0.000 1.122 736 L CA -0.432 54.372 54.840 -0.059 0.000 0.804 736 L CB 0.600 42.538 42.059 -0.202 0.000 1.150 736 L HN 0.004 nan 8.230 nan 0.000 0.457 737 L N 0.602 121.870 121.223 0.075 0.000 2.127 737 L HA -0.126 4.214 4.340 0.000 0.000 0.211 737 L C 1.105 178.007 176.870 0.054 0.000 1.089 737 L CA 1.377 56.329 54.840 0.187 0.000 0.757 737 L CB -0.575 41.841 42.059 0.595 0.000 0.899 737 L HN 0.801 nan 8.230 nan 0.000 0.434 738 T N -4.073 110.438 114.554 -0.073 0.000 3.250 738 T HA 0.271 4.621 4.350 0.000 0.000 0.391 738 T C -1.523 173.090 174.700 -0.145 0.000 1.502 738 T CA -1.877 60.139 62.100 -0.139 0.000 1.320 738 T CB 0.913 69.650 68.868 -0.218 0.000 1.102 738 T HN -0.055 nan 8.240 nan 0.000 0.610 739 P HA -0.185 nan 4.420 nan 0.000 0.218 739 P C 0.840 178.052 177.300 -0.146 0.000 1.150 739 P CA 1.217 64.240 63.100 -0.128 0.000 0.841 739 P CB 0.163 31.816 31.700 -0.079 0.000 0.784 740 N N 0.153 118.782 118.700 -0.118 0.000 2.398 740 N HA 0.004 4.744 4.740 0.000 0.000 0.188 740 N C 0.756 176.205 175.510 -0.102 0.000 1.122 740 N CA 0.539 53.533 53.050 -0.092 0.000 0.866 740 N CB 0.345 38.794 38.487 -0.064 0.000 0.970 740 N HN 0.576 nan 8.380 nan 0.000 0.462 741 E N -1.190 118.913 120.200 -0.162 0.000 2.422 741 E HA 0.208 4.558 4.350 0.000 0.000 0.280 741 E C -1.618 174.854 176.600 -0.213 0.000 1.091 741 E CA -0.755 55.570 56.400 -0.125 0.000 0.849 741 E CB 0.288 29.931 29.700 -0.095 0.000 1.353 741 E HN -0.243 nan 8.360 nan 0.000 0.449 742 F N 1.374 121.248 119.950 -0.127 0.000 2.350 742 F HA 0.282 4.809 4.527 0.000 0.000 0.365 742 F C 0.201 175.877 175.800 -0.207 0.000 1.122 742 F CA -0.386 57.556 58.000 -0.097 0.000 1.139 742 F CB 1.253 40.235 39.000 -0.030 0.000 1.220 742 F HN 0.239 nan 8.300 nan 0.000 0.499 743 E N 4.670 124.835 120.200 -0.057 0.000 2.130 743 E HA 0.213 4.563 4.350 0.000 0.000 0.284 743 E C 0.780 177.250 176.600 -0.218 0.000 1.018 743 E CA -0.130 56.185 56.400 -0.141 0.000 0.817 743 E CB 1.507 31.130 29.700 -0.129 0.000 1.078 743 E HN 0.688 nan 8.360 nan 0.000 0.396 744 I N 2.843 123.142 120.570 -0.452 0.000 2.333 744 I HA -0.143 4.027 4.170 0.000 0.000 0.246 744 I C 0.841 176.796 176.117 -0.269 0.000 1.106 744 I CA 1.091 61.906 61.300 -0.809 0.000 1.411 744 I CB 0.062 37.389 38.000 -1.121 0.000 1.082 744 I HN 0.408 nan 8.210 nan 0.000 0.420 745 K N 0.451 120.799 120.400 -0.087 0.000 2.532 745 K HA 0.662 4.982 4.320 0.000 0.000 0.265 745 K C -0.981 175.646 176.600 0.046 0.000 0.948 745 K CA -0.905 55.429 56.287 0.078 0.000 0.842 745 K CB 2.104 34.740 32.500 0.227 0.000 1.392 745 K HN -0.156 nan 8.250 nan 0.000 0.436 746 R N 0.504 121.050 120.500 0.077 0.000 2.740 746 R HA 0.368 4.708 4.340 0.000 0.000 0.282 746 R C -0.985 175.357 176.300 0.071 0.000 0.969 746 R CA -1.099 55.030 56.100 0.048 0.000 0.918 746 R CB 2.310 32.632 30.300 0.037 0.000 1.175 746 R HN 0.884 nan 8.270 nan 0.000 0.464 747 S N 0.840 116.569 115.700 0.050 0.000 2.423 747 S HA 0.193 4.663 4.470 0.000 0.000 0.317 747 S C 1.196 175.825 174.600 0.049 0.000 1.065 747 S CA -0.703 57.531 58.200 0.055 0.000 1.111 747 S CB 1.067 64.292 63.200 0.042 0.000 0.968 747 S HN 0.535 nan 8.310 nan 0.000 0.474 748 V N 1.952 121.902 119.914 0.060 0.000 0.575 748 V HA -0.480 3.640 4.120 0.000 0.000 0.092 748 V C 2.078 178.200 176.094 0.047 0.000 1.949 748 V CA 2.576 64.908 62.300 0.052 0.000 3.444 748 V CB -2.032 29.815 31.823 0.040 0.000 0.743 748 V HN 0.880 nan 8.190 nan 0.000 0.767 749 D N 1.188 121.609 120.400 0.036 0.000 2.203 749 D HA -0.064 4.576 4.640 0.000 0.000 0.199 749 D C 1.550 177.876 176.300 0.043 0.000 0.997 749 D CA 1.889 55.907 54.000 0.031 0.000 0.863 749 D CB -0.432 40.379 40.800 0.018 0.000 0.928 749 D HN 0.793 nan 8.370 nan 0.000 0.458 750 G N 0.002 108.834 108.800 0.052 0.000 4.547 750 G HA2 0.060 4.020 3.960 0.000 0.000 0.301 750 G HA3 0.060 4.020 3.960 0.000 0.000 0.301 750 G C 0.848 175.826 174.900 0.131 0.000 1.240 750 G CA -0.411 44.739 45.100 0.084 0.000 0.970 750 G HN -0.076 nan 8.290 nan 0.000 0.574 751 E N 0.729 120.992 120.200 0.104 0.000 2.160 751 E HA -0.120 4.230 4.350 0.000 0.000 0.195 751 E C 2.539 179.202 176.600 0.106 0.000 0.991 751 E CA 1.180 57.640 56.400 0.100 0.000 0.810 751 E CB 0.001 29.744 29.700 0.071 0.000 0.742 751 E HN 0.452 nan 8.360 nan 0.000 0.466 752 G N -0.078 108.785 108.800 0.105 0.000 2.442 752 G HA2 -0.272 3.688 3.960 0.000 0.000 0.219 752 G HA3 -0.272 3.688 3.960 0.000 0.000 0.219 752 G C 1.387 176.315 174.900 0.047 0.000 1.141 752 G CA 0.596 45.730 45.100 0.057 0.000 0.763 752 G HN 0.268 nan 8.290 nan 0.000 0.554 753 Y N 1.281 121.600 120.300 0.032 0.000 2.224 753 Y HA -0.018 4.532 4.550 0.000 0.000 0.289 753 Y C 1.221 177.146 175.900 0.042 0.000 1.146 753 Y CA 0.704 58.826 58.100 0.036 0.000 1.182 753 Y CB -0.151 38.329 38.460 0.033 0.000 0.983 753 Y HN 0.082 nan 8.280 nan 0.000 0.524 754 N N 0.384 119.201 118.700 0.196 0.000 2.454 754 N HA 0.164 4.904 4.740 0.000 0.000 0.254 754 N C -0.182 175.368 175.510 0.067 0.000 1.228 754 N CA 0.343 53.473 53.050 0.134 0.000 0.900 754 N CB 0.865 39.430 38.487 0.129 0.000 1.089 754 N HN 0.045 nan 8.380 nan 0.000 0.449 755 V N -2.220 117.707 119.914 0.022 0.000 3.182 755 V HA 0.843 4.963 4.120 0.000 0.000 0.311 755 V C 0.937 176.963 176.094 -0.113 0.000 1.221 755 V CA -0.703 61.550 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 -0.690 122.006 122.820 -0.208 0.000 2.799 756 A HA -0.293 4.027 4.320 0.000 0.000 0.274 756 A C 0.997 178.567 177.584 -0.025 0.000 1.393 756 A CA 1.819 53.763 52.037 -0.155 0.000 0.909 756 A CB -2.462 16.422 19.000 -0.192 0.000 1.012 756 A HN 1.647 nan 8.150 nan 0.000 0.653 757 Q N -4.241 115.556 119.800 -0.005 0.000 2.487 757 Q HA -0.259 4.081 4.340 0.000 0.000 0.279 757 Q C 0.300 176.338 176.000 0.064 0.000 1.228 757 Q CA 1.111 56.930 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 2.148 nan 8.270 nan 0.000 0.471 758 C N -2.721 116.640 119.300 0.102 0.000 3.292 758 C HA 0.564 5.024 4.460 0.000 0.000 0.369 758 C C 1.254 176.366 174.990 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 28.697 27.740 0.214 0.000 1.978 758 C HN 0.474 nan 8.230 nan 0.000 0.435 759 N N 0.644 119.514 118.700 0.282 0.000 2.449 759 N HA 0.031 4.771 4.740 0.000 0.000 0.191 759 N C 0.222 175.898 175.510 0.276 0.000 1.161 759 N CA 0.064 53.270 53.050 0.261 0.000 0.863 759 N CB -0.276 38.367 38.487 0.260 0.000 0.980 759 N HN 0.893 nan 8.380 nan 0.000 0.458 760 M N 1.732 121.497 119.600 0.274 0.000 2.242 760 M HA 0.076 4.556 4.480 0.000 0.000 0.344 760 M C 0.155 176.552 176.300 0.163 0.000 1.140 760 M CA -0.270 55.149 55.300 0.198 0.000 1.160 760 M CB 0.861 33.520 32.600 0.099 0.000 1.491 760 M HN 0.205 nan 8.290 nan 0.000 0.459 761 T N 1.164 115.821 114.554 0.171 0.000 2.899 761 T HA 0.313 4.663 4.350 0.000 0.000 0.284 761 T C 0.739 175.566 174.700 0.212 0.000 1.004 761 T CA -0.678 61.536 62.100 0.189 0.000 1.043 761 T CB 1.128 70.091 68.868 0.158 0.000 1.013 761 T HN 0.798 nan 8.240 nan 0.000 0.518 762 K N 0.483 121.019 120.400 0.226 0.000 2.057 762 K HA -0.120 4.200 4.320 0.000 0.000 0.207 762 K C 1.823 178.557 176.600 0.223 0.000 1.049 762 K CA 1.579 57.991 56.287 0.209 0.000 0.931 762 K CB -0.193 32.414 32.500 0.178 0.000 0.714 762 K HN 0.600 nan 8.250 nan 0.000 0.440 763 D N 0.225 120.755 120.400 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 -0.284 40.583 40.800 0.110 0.000 0.956 763 D HN 0.372 nan 8.370 nan 0.000 0.448 764 W N 0.330 121.594 121.300 -0.060 0.000 2.388 764 W HA -0.213 4.447 4.660 0.000 0.000 0.294 764 W C 2.040 178.416 176.519 -0.237 0.000 1.212 764 W CA 0.376 57.619 57.345 -0.171 0.000 1.271 764 W CB -0.410 28.922 29.460 -0.214 0.000 1.126 764 W HN -0.089 nan 8.180 nan 0.000 0.535 765 F N 1.244 121.073 119.950 -0.202 0.000 2.171 765 F HA -0.232 4.295 4.527 0.000 0.000 0.300 765 F C 2.245 177.846 175.800 -0.333 0.000 1.090 765 F CA 1.770 59.556 58.000 -0.356 0.000 1.293 765 F CB -0.985 37.843 39.000 -0.288 0.000 1.013 765 F HN -0.147 nan 8.300 nan 0.000 0.486 766 L N -0.227 120.903 121.223 -0.156 0.000 2.027 766 L HA -0.118 4.222 4.340 0.000 0.000 0.206 766 L C 2.169 178.835 176.870 -0.341 0.000 1.074 766 L CA 1.696 56.484 54.840 -0.085 0.000 0.745 766 L CB -1.012 41.097 42.059 0.083 0.000 0.898 766 L HN 0.028 nan 8.230 nan 0.000 0.433 767 V N -0.304 119.325 119.914 -0.475 0.000 2.343 767 V HA -0.249 3.871 4.120 0.000 0.000 0.247 767 V C 2.676 178.316 176.094 -0.757 0.000 1.051 767 V CA 1.642 63.541 62.300 -0.668 0.000 1.036 767 V CB -0.801 30.541 31.823 -0.803 0.000 0.654 767 V HN 0.503 nan 8.190 nan 0.000 0.451 768 Q N -0.997 118.182 119.800 -1.035 0.000 2.119 768 Q HA -0.088 4.252 4.340 0.000 0.000 0.201 768 Q C 2.231 177.790 176.000 -0.734 0.000 0.972 768 Q CA 1.252 56.395 55.803 -1.100 0.000 0.847 768 Q CB -0.417 27.252 28.738 -1.782 0.000 0.903 768 Q HN 0.463 nan 8.270 nan 0.000 0.433 769 M N -0.014 119.212 119.600 -0.623 0.000 2.175 769 M HA -0.065 4.415 4.480 0.000 0.000 0.264 769 M C 2.269 178.456 176.300 -0.188 0.000 1.063 769 M CA 1.079 56.218 55.300 -0.267 0.000 1.119 769 M CB -0.872 31.537 32.600 -0.318 0.000 1.377 769 M HN 0.160 nan 8.290 nan 0.000 0.415 770 L N -0.404 120.663 121.223 -0.260 0.000 2.027 770 L HA -0.128 4.212 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 1.163 55.898 54.840 -0.177 0.000 0.745 770 L CB -0.904 41.062 42.059 -0.154 0.000 0.898 770 L HN 0.243 nan 8.230 nan 0.000 0.433 771 A N 0.217 122.893 122.820 -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 2.368 54.270 52.037 -0.225 0.000 0.631 771 A CB -0.642 18.181 19.000 -0.294 0.000 0.814 771 A HN 0.484 nan 8.150 nan 0.000 0.446 772 N N -2.403 116.016 118.700 -0.468 0.000 2.336 772 N HA 0.057 4.797 4.740 0.000 0.000 0.177 772 N C 0.550 175.548 175.510 -0.852 0.000 1.018 772 N CA 1.338 53.921 53.050 -0.778 0.000 0.878 772 N CB 0.001 37.725 38.487 -1.271 0.000 0.997 772 N HN 0.623 nan 8.380 nan 0.000 0.433 773 Y N -1.423 118.822 120.300 -0.092 0.000 2.610 773 Y HA 0.396 4.946 4.550 0.000 0.000 0.254 773 Y C -0.085 175.766 175.900 -0.083 0.000 1.110 773 Y CA -0.748 57.296 58.100 -0.093 0.000 1.238 773 Y CB -0.479 37.900 38.460 -0.135 0.000 1.322 773 Y HN -0.104 nan 8.280 nan 0.000 0.547 774 N N 0.670 119.378 118.700 0.013 0.000 2.782 774 N HA -0.190 4.550 4.740 0.000 0.000 0.251 774 N C -0.715 174.791 175.510 -0.008 0.000 1.101 774 N CA 0.341 53.401 53.050 0.016 0.000 0.764 774 N CB -1.001 37.518 38.487 0.053 0.000 1.122 774 N HN 0.261 nan 8.380 nan 0.000 0.561 775 I N -0.197 120.341 120.570 -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 -0.167 0.000 1.268 775 I CB 1.585 39.400 38.000 -0.308 0.000 1.387 775 I HN 0.271 nan 8.210 nan 0.000 0.478 776 G N 3.949 112.525 108.800 -0.373 0.000 3.685 776 G HA2 -0.183 3.777 3.960 0.000 0.000 0.215 776 G HA3 -0.183 3.777 3.960 0.000 0.000 0.215 776 G C 0.394 174.912 174.900 -0.637 0.000 0.987 776 G CA -0.247 44.464 45.100 -0.649 0.000 0.884 776 G HN 0.462 nan 8.290 nan 0.000 0.406 777 Y N 1.346 121.534 120.300 -0.187 0.000 2.544 777 Y HA 0.382 4.932 4.550 0.000 0.000 0.286 777 Y C 2.084 177.915 175.900 -0.116 0.000 1.141 777 Y CA 1.088 59.109 58.100 -0.131 0.000 1.299 777 Y CB 0.530 38.950 38.460 -0.065 0.000 1.030 777 Y HN 0.250 nan 8.280 nan 0.000 0.543 778 Q N -0.058 119.749 119.800 0.011 0.000 2.333 778 Q HA 0.437 4.777 4.340 0.000 0.000 0.365 778 Q C -0.077 175.941 176.000 0.029 0.000 0.882 778 Q CA -0.113 55.709 55.803 0.032 0.000 1.124 778 Q CB 1.065 29.849 28.738 0.076 0.000 1.345 778 Q HN 0.358 nan 8.270 nan 0.000 0.409 779 G N 0.511 109.246 108.800 -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 -1.204 173.612 174.900 -0.139 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 1.432 121.442 119.950 0.101 0.000 2.436 780 F HA 0.825 5.352 4.527 0.000 0.000 0.340 780 F C 0.670 176.503 175.800 0.055 0.000 1.113 780 F CA -0.431 57.562 58.000 -0.012 0.000 1.022 780 F CB 1.587 40.670 39.000 0.139 0.000 1.128 780 F HN 0.736 nan 8.300 nan 0.000 0.466 781 Y N 0.106 120.500 120.300 0.157 0.000 2.656 781 Y HA 0.618 5.168 4.550 0.000 0.000 0.334 781 Y C -1.043 174.733 175.900 -0.207 0.000 1.179 781 Y CA -2.094 56.003 58.100 -0.004 0.000 1.050 781 Y CB 0.478 38.920 38.460 -0.030 0.000 1.308 781 Y HN 0.341 nan 8.280 nan 0.000 0.456 782 I N 4.772 125.260 120.570 -0.138 0.000 2.668 782 I HA 0.125 4.295 4.170 0.000 0.000 0.285 782 I C -1.907 173.968 176.117 -0.403 0.000 1.168 782 I CA -1.430 59.545 61.300 -0.541 0.000 1.424 782 I CB 0.501 38.311 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 -0.703 176.364 177.300 -0.389 0.000 1.230 783 P CA -0.399 62.332 63.100 -0.615 0.000 0.788 783 P CB 0.567 31.497 31.700 -1.284 0.000 0.949 784 E N 0.347 120.359 120.200 -0.314 0.000 2.414 784 E HA 0.027 4.377 4.350 0.000 0.000 0.263 784 E C 1.335 177.739 176.600 -0.328 0.000 1.000 784 E CA -0.011 56.217 56.400 -0.286 0.000 0.914 784 E CB 0.161 29.633 29.700 -0.381 0.000 0.948 784 E HN 0.301 nan 8.360 nan 0.000 0.444 785 S N 2.315 117.939 115.700 -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 1.997 60.174 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 1.154 121.465 120.300 0.019 0.000 2.497 786 Y HA 0.162 4.712 4.550 0.000 0.000 0.292 786 Y C 1.649 177.586 175.900 0.062 0.000 1.137 786 Y CA 0.592 58.711 58.100 0.030 0.000 1.285 786 Y CB -0.445 38.028 38.460 0.022 0.000 0.991 786 Y HN 0.087 nan 8.280 nan 0.000 0.556 787 K N -0.348 119.826 120.400 -0.376 0.000 2.352 787 K HA 0.006 4.326 4.320 0.000 0.000 0.194 787 K C -0.136 176.537 176.600 0.120 0.000 1.038 787 K CA 0.542 56.754 56.287 -0.124 0.000 1.023 787 K CB 0.257 32.633 32.500 -0.206 0.000 0.840 787 K HN 0.117 nan 8.250 nan 0.000 0.519 788 D N 2.126 122.552 120.400 0.044 0.000 2.638 788 D HA 0.046 4.686 4.640 0.000 0.000 0.245 788 D C -0.053 176.317 176.300 0.117 0.000 1.176 788 D CA -0.259 53.834 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 1.102 121.677 120.500 0.125 0.000 2.828 789 R HA 0.118 4.458 4.340 0.000 0.000 0.270 789 R C 1.544 177.851 176.300 0.012 0.000 1.244 789 R CA -0.499 55.638 56.100 0.063 0.000 1.143 789 R CB -0.328 30.019 30.300 0.078 0.000 1.128 789 R HN 0.341 nan 8.270 nan 0.000 0.587 790 M N 0.068 119.604 119.600 -0.108 0.000 2.159 790 M HA -0.128 4.352 4.480 0.000 0.000 0.263 790 M C 0.427 176.561 176.300 -0.277 0.000 1.063 790 M CA 1.852 56.988 55.300 -0.273 0.000 1.110 790 M CB 0.113 32.403 32.600 -0.518 0.000 1.374 790 M HN 0.419 nan 8.290 nan 0.000 0.411 791 Y N -0.161 120.178 120.300 0.064 0.000 2.571 791 Y HA 0.334 4.884 4.550 0.000 0.000 0.275 791 Y C 0.743 176.693 175.900 0.083 0.000 1.179 791 Y CA -0.575 57.573 58.100 0.080 0.000 1.242 791 Y CB -0.362 38.142 38.460 0.075 0.000 1.126 791 Y HN 0.017 nan 8.280 nan 0.000 0.524 792 S N 0.210 116.028 115.700 0.197 0.000 2.645 792 S HA 0.062 4.532 4.470 0.000 0.000 0.266 792 S C 0.953 175.698 174.600 0.242 0.000 1.258 792 S CA -0.664 57.657 58.200 0.202 0.000 0.990 792 S CB 0.611 63.967 63.200 0.260 0.000 0.967 792 S HN 0.374 nan 8.310 nan 0.000 0.556 793 F N 1.599 121.619 119.950 0.116 0.000 2.031 793 F HA -0.078 4.449 4.527 0.000 0.000 0.295 793 F C 1.828 177.783 175.800 0.257 0.000 1.133 793 F CA 1.372 59.451 58.000 0.131 0.000 1.188 793 F CB -0.769 38.246 39.000 0.026 0.000 0.974 793 F HN 0.647 nan 8.300 nan 0.000 0.473 794 F N 1.414 121.208 119.950 -0.260 0.000 2.065 794 F HA -0.231 4.296 4.527 0.000 0.000 0.298 794 F C 2.743 178.468 175.800 -0.125 0.000 1.112 794 F CA 2.310 60.100 58.000 -0.350 0.000 1.212 794 F CB -0.666 38.242 39.000 -0.154 0.000 0.975 794 F HN 0.018 nan 8.300 nan 0.000 0.476 795 R N 0.891 121.439 120.500 0.079 0.000 2.154 795 R HA -0.193 4.147 4.340 0.000 0.000 0.248 795 R C 1.315 177.569 176.300 -0.076 0.000 1.155 795 R CA 2.221 58.329 56.100 0.013 0.000 0.979 795 R CB -0.713 29.634 30.300 0.077 0.000 0.869 795 R HN 0.355 nan 8.270 nan 0.000 0.452 796 N N -0.791 117.881 118.700 -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 0.017 0.000 0.867 796 N CB 0.264 38.818 38.487 0.113 0.000 0.996 796 N HN 0.079 nan 8.380 nan 0.000 0.503 797 F N 3.087 122.843 119.950 -0.324 0.000 2.471 797 F HA 0.175 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 -0.249 57.576 58.000 -0.291 0.000 1.174 797 F CB 0.531 39.129 39.000 -0.670 0.000 1.105 797 F HN -0.171 nan 8.300 nan 0.000 0.535 798 Q N 8.916 128.466 119.800 -0.416 0.000 2.674 798 Q HA 0.279 4.619 4.340 0.000 0.000 0.249 798 Q C -2.642 173.106 176.000 -0.419 0.000 1.011 798 Q CA -1.933 53.623 55.803 -0.413 0.000 0.734 798 Q CB 1.444 30.084 28.738 -0.162 0.000 1.201 798 Q HN 0.450 nan 8.270 nan 0.000 0.498 799 P HA 0.268 nan 4.420 nan 0.000 0.275 799 P C -0.517 176.715 177.300 -0.112 0.000 1.227 799 P CA -0.105 62.803 63.100 -0.320 0.000 0.781 799 P CB 1.072 32.543 31.700 -0.382 0.000 0.906 800 M N 1.134 120.744 119.600 0.017 0.000 2.531 800 M HA 0.441 4.921 4.480 0.000 0.000 0.286 800 M C -0.455 176.048 176.300 0.339 0.000 1.232 800 M CA -0.365 55.011 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 0.521 116.468 115.700 0.411 0.000 2.579 801 S HA 0.874 5.344 4.470 0.000 0.000 0.272 801 S C -1.476 173.174 174.600 0.083 0.000 1.141 801 S CA -0.955 57.427 58.200 0.304 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 0.607 120.949 120.500 -0.263 0.000 2.728 802 R HA 0.695 5.035 4.340 0.000 0.000 0.274 802 R C -2.120 173.963 176.300 -0.361 0.000 1.030 802 R CA -0.956 54.877 56.100 -0.445 0.000 0.876 802 R CB 0.737 30.424 30.300 -1.023 0.000 1.259 802 R HN 0.417 nan 8.270 nan 0.000 0.468 803 Q N 0.221 119.851 119.800 -0.283 0.000 2.351 803 Q HA 0.715 5.055 4.340 0.000 0.000 0.273 803 Q C -1.177 174.697 176.000 -0.211 0.000 1.077 803 Q CA -0.679 55.001 55.803 -0.206 0.000 0.843 803 Q CB 2.894 31.550 28.738 -0.137 0.000 1.367 803 Q HN 0.610 nan 8.270 nan 0.000 0.449 804 V N -2.235 117.580 119.914 -0.165 0.000 3.120 804 V HA 0.696 4.816 4.120 0.000 0.000 0.303 804 V C -0.364 175.659 176.094 -0.118 0.000 1.238 804 V CA -1.413 60.811 62.300 -0.127 0.000 1.008 804 V CB 1.221 32.976 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 0.193 4.313 4.120 0.000 0.000 0.307 805 V C 0.394 176.378 176.094 -0.184 0.000 1.071 805 V CA 0.445 62.636 62.300 -0.181 0.000 1.199 805 V CB 0.264 31.971 31.823 -0.193 0.000 0.900 805 V HN 1.056 nan 8.190 nan 0.000 0.494 806 D N 4.319 124.608 120.400 -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 -0.066 53.836 54.000 -0.164 0.000 0.895 806 D CB 0.963 41.703 40.800 -0.100 0.000 1.046 806 D HN 0.863 nan 8.370 nan 0.000 0.498 807 D N 1.566 121.712 120.400 -0.423 0.000 2.384 807 D HA -0.160 4.480 4.640 0.000 0.000 0.222 807 D C 1.166 177.236 176.300 -0.383 0.000 0.976 807 D CA 0.631 54.143 54.000 -0.812 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 -3.532 110.908 114.554 -0.190 0.000 3.044 808 T HA 0.254 4.604 4.350 0.000 0.000 0.260 808 T C 1.399 176.072 174.700 -0.045 0.000 1.019 808 T CA -0.406 61.640 62.100 -0.090 0.000 0.921 808 T CB 0.357 69.185 68.868 -0.066 0.000 1.053 808 T HN 0.023 nan 8.240 nan 0.000 0.533 809 K N -0.498 119.882 120.400 -0.032 0.000 2.502 809 K HA 0.222 4.542 4.320 0.000 0.000 0.211 809 K C -0.650 175.985 176.600 0.059 0.000 1.259 809 K CA -0.400 55.889 56.287 0.004 0.000 0.983 809 K CB 0.707 33.205 32.500 -0.003 0.000 1.054 809 K HN 0.299 nan 8.250 nan 0.000 0.572 810 Y N 3.441 123.690 120.300 -0.086 0.000 2.556 810 Y HA 0.103 4.653 4.550 0.000 0.000 0.352 810 Y C 0.842 176.736 175.900 -0.011 0.000 1.006 810 Y CA -0.594 57.465 58.100 -0.068 0.000 1.277 810 Y CB 0.266 38.651 38.460 -0.125 0.000 1.136 810 Y HN -0.102 nan 8.280 nan 0.000 0.523 811 K N 2.293 122.520 120.400 -0.288 0.000 2.077 811 K HA -0.223 4.097 4.320 0.000 0.000 0.213 811 K C 0.577 176.931 176.600 -0.409 0.000 1.051 811 K CA 2.152 58.266 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 -0.231 119.668 120.400 -0.836 0.000 2.319 812 D HA -0.060 4.580 4.640 0.000 0.000 0.230 812 D C -0.040 176.053 176.300 -0.346 0.000 1.094 812 D CA 0.024 53.690 54.000 -0.557 0.000 0.856 812 D CB -0.319 40.214 40.800 -0.445 0.000 0.915 812 D HN 0.138 nan 8.370 nan 0.000 0.517 813 Y N 2.351 122.403 120.300 -0.413 0.000 2.811 813 Y HA -0.059 4.491 4.550 0.000 0.000 0.334 813 Y C 0.096 176.055 175.900 0.100 0.000 1.247 813 Y CA 0.527 58.627 58.100 0.001 0.000 1.526 813 Y CB 0.356 38.843 38.460 0.046 0.000 1.284 813 Y HN -0.154 nan 8.280 nan 0.000 0.586 814 Q N 5.782 125.217 119.800 -0.609 0.000 2.263 814 Q HA 0.147 4.487 4.340 0.000 0.000 0.266 814 Q C -1.342 174.261 176.000 -0.662 0.000 1.002 814 Q CA -0.705 54.827 55.803 -0.452 0.000 0.790 814 Q CB 2.005 30.677 28.738 -0.110 0.000 1.272 814 Q HN 0.786 nan 8.270 nan 0.000 0.435 815 Q N 2.409 121.919 119.800 -0.484 0.000 2.323 815 Q HA 0.418 4.758 4.340 0.000 0.000 0.257 815 Q C -1.059 174.910 176.000 -0.052 0.000 1.022 815 Q CA -0.165 55.535 55.803 -0.171 0.000 0.919 815 Q CB 0.666 29.450 28.738 0.077 0.000 1.220 815 Q HN 0.360 nan 8.270 nan 0.000 0.427 816 V N 3.642 123.544 119.914 -0.020 0.000 2.487 816 V HA 0.592 4.712 4.120 0.000 0.000 0.298 816 V C 0.552 176.602 176.094 -0.074 0.000 1.028 816 V CA -0.725 61.553 62.300 -0.036 0.000 0.860 816 V CB 1.566 33.344 31.823 -0.074 0.000 0.991 816 V HN 0.859 nan 8.190 nan 0.000 0.427 817 G N 2.274 111.063 108.800 -0.018 0.000 2.522 817 G HA2 0.504 4.464 3.960 0.000 0.000 0.304 817 G HA3 0.504 4.464 3.960 0.000 0.000 0.304 817 G C 0.852 175.678 174.900 -0.123 0.000 1.210 817 G CA -0.535 44.533 45.100 -0.053 0.000 0.960 817 G HN 0.740 nan 8.290 nan 0.000 0.497 818 I N -0.543 119.948 120.570 -0.131 0.000 2.236 818 I HA -0.218 3.952 4.170 0.000 0.000 0.249 818 I C 2.488 178.529 176.117 -0.126 0.000 1.102 818 I CA 1.097 62.316 61.300 -0.136 0.000 1.365 818 I CB -0.990 36.952 38.000 -0.097 0.000 1.051 818 I HN 0.363 nan 8.210 nan 0.000 0.420 819 L N -0.261 120.857 121.223 -0.174 0.000 2.129 819 L HA -0.246 4.094 4.340 0.000 0.000 0.212 819 L C 1.689 178.299 176.870 -0.433 0.000 1.087 819 L CA 1.811 56.465 54.840 -0.311 0.000 0.757 819 L CB -0.711 41.087 42.059 -0.434 0.000 0.896 819 L HN 0.467 nan 8.230 nan 0.000 0.434 820 H N -2.596 116.492 119.070 0.029 0.000 2.785 820 H HA 0.232 4.788 4.556 0.000 0.000 0.268 820 H C -0.122 175.196 175.328 -0.018 0.000 1.153 820 H CA -0.359 55.706 56.048 0.029 0.000 1.111 820 H CB 0.388 30.149 29.762 -0.001 0.000 1.633 820 H HN 0.294 nan 8.280 nan 0.000 0.576 821 Q N 1.367 121.159 119.800 -0.014 0.000 2.243 821 Q HA 0.299 4.638 4.340 0.000 0.000 0.252 821 Q C -0.655 175.372 176.000 0.044 0.000 0.909 821 Q CA -0.666 55.065 55.803 -0.120 0.000 0.922 821 Q CB 1.155 29.686 28.738 -0.346 0.000 1.215 821 Q HN 0.528 nan 8.270 nan 0.000 0.427 822 H N -0.353 118.757 119.070 0.068 0.000 2.840 822 H HA 0.565 5.121 4.556 0.000 0.000 0.340 822 H C -1.463 173.922 175.328 0.094 0.000 1.004 822 H CA -0.953 55.149 56.048 0.090 0.000 1.288 822 H CB 1.089 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 3.144 121.990 118.700 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 0.911 39.353 38.487 -0.076 0.000 1.500 823 N HN 0.869 nan 8.380 nan 0.000 0.510 824 N N 0.224 119.100 118.700 0.293 0.000 2.882 824 N HA -0.157 4.583 4.740 0.000 0.000 0.249 824 N C -0.669 175.049 175.510 0.346 0.000 1.079 824 N CA 1.044 54.329 53.050 0.393 0.000 0.800 824 N CB -1.456 37.231 38.487 0.332 0.000 1.124 824 N HN 0.734 nan 8.380 nan 0.000 0.557 825 S N -0.891 114.938 115.700 0.215 0.000 2.552 825 S HA 0.396 4.866 4.470 0.000 0.000 0.289 825 S C 1.627 176.106 174.600 -0.202 0.000 1.304 825 S CA 0.980 59.202 58.200 0.037 0.000 1.063 825 S CB 1.538 64.730 63.200 -0.013 0.000 0.848 825 S HN 1.028 nan 8.310 nan 0.000 0.499 826 G N 1.976 110.599 108.800 -0.295 0.000 2.268 826 G HA2 -0.256 3.704 3.960 0.000 0.000 0.240 826 G HA3 -0.256 3.704 3.960 0.000 0.000 0.240 826 G C 0.242 174.750 174.900 -0.653 0.000 1.010 826 G CA 0.369 45.130 45.100 -0.566 0.000 0.618 826 G HN 0.778 nan 8.290 nan 0.000 0.516 827 F N 0.535 120.493 119.950 0.014 0.000 2.706 827 F HA 0.610 5.137 4.527 0.000 0.000 0.308 827 F C 0.985 176.786 175.800 0.002 0.000 1.095 827 F CA -0.192 57.814 58.000 0.009 0.000 1.244 827 F CB 0.849 39.862 39.000 0.022 0.000 1.063 827 F HN 0.156 nan 8.300 nan 0.000 0.582 828 V N -0.929 119.058 119.914 0.122 0.000 3.126 828 V HA 0.766 4.886 4.120 0.000 0.000 0.314 828 V C 0.521 176.627 176.094 0.020 0.000 1.138 828 V CA -1.221 61.121 62.300 0.069 0.000 1.034 828 V CB 1.507 33.390 31.823 0.099 0.000 1.075 828 V HN 0.078 nan 8.190 nan 0.000 0.442 829 G N -0.574 108.219 108.800 -0.011 0.000 2.599 829 G HA2 0.364 4.324 3.960 0.000 0.000 0.264 829 G HA3 0.364 4.324 3.960 0.000 0.000 0.264 829 G C -1.242 173.695 174.900 0.062 0.000 1.200 829 G CA -0.145 44.944 45.100 -0.018 0.000 0.896 829 G HN 0.684 nan 8.290 nan 0.000 0.536 830 Y N 1.019 121.272 120.300 -0.079 0.000 2.367 830 Y HA 0.365 4.915 4.550 0.000 0.000 0.342 830 Y C 1.052 176.930 175.900 -0.037 0.000 0.979 830 Y CA -0.957 57.108 58.100 -0.060 0.000 1.161 830 Y CB 0.331 38.744 38.460 -0.079 0.000 1.155 830 Y HN 0.463 nan 8.280 nan 0.000 0.503 831 L N 4.193 125.180 121.223 -0.393 0.000 3.976 831 L HA -0.341 3.999 4.340 0.000 0.000 0.418 831 L C -0.213 176.610 176.870 -0.078 0.000 1.177 831 L CA 0.787 55.415 54.840 -0.354 0.000 0.968 831 L CB -2.055 39.586 42.059 -0.697 0.000 1.933 831 L HN 0.720 nan 8.230 nan 0.000 0.976 832 A N -1.244 121.536 122.820 -0.067 0.000 2.601 832 A HA 0.727 5.047 4.320 0.000 0.000 0.291 832 A C -2.464 175.041 177.584 -0.131 0.000 1.075 832 A CA -0.635 51.374 52.037 -0.047 0.000 0.671 832 A CB 1.211 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 0.133 nan 4.420 nan 0.000 0.243 833 P C 0.344 177.513 177.300 -0.219 0.000 1.668 833 P CA 0.494 63.394 63.100 -0.332 0.000 0.898 833 P CB -0.580 30.832 31.700 -0.481 0.000 1.637 834 T N -3.984 110.473 114.554 -0.161 0.000 2.892 834 T HA 0.410 4.760 4.350 0.000 0.000 0.280 834 T C 0.599 175.211 174.700 -0.146 0.000 1.004 834 T CA -1.106 60.903 62.100 -0.152 0.000 0.950 834 T CB 0.486 69.256 68.868 -0.162 0.000 1.309 834 T HN -0.010 nan 8.240 nan 0.000 0.592 835 M N 1.805 121.310 119.600 -0.158 0.000 2.245 835 M HA 0.110 4.590 4.480 0.000 0.000 0.335 835 M C 0.339 176.574 176.300 -0.108 0.000 1.155 835 M CA -0.491 54.730 55.300 -0.131 0.000 1.055 835 M CB 0.419 32.929 32.600 -0.149 0.000 1.670 835 M HN 0.771 nan 8.290 nan 0.000 0.447 836 R N 3.562 124.018 120.500 -0.072 0.000 2.734 836 R HA 0.220 4.560 4.340 0.000 0.000 0.266 836 R C -0.745 175.503 176.300 -0.087 0.000 1.044 836 R CA 0.052 56.119 56.100 -0.055 0.000 1.128 836 R CB 0.035 30.326 30.300 -0.014 0.000 1.010 836 R HN 0.747 nan 8.270 nan 0.000 0.461 837 E N -0.362 119.779 120.200 -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 -0.161 0.000 1.044 837 E CA -1.064 55.261 56.400 -0.125 0.000 0.826 837 E CB 0.984 30.615 29.700 -0.114 0.000 1.358 837 E HN 0.895 nan 8.360 nan 0.000 0.459 838 G N 0.553 109.243 108.800 -0.184 0.000 2.548 838 G HA2 -0.029 3.931 3.960 0.000 0.000 0.208 838 G HA3 -0.029 3.931 3.960 0.000 0.000 0.208 838 G C -1.147 173.604 174.900 -0.249 0.000 1.308 838 G CA -0.057 44.910 45.100 -0.222 0.000 0.924 838 G HN 0.975 nan 8.290 nan 0.000 0.540 839 Q N -0.994 118.645 119.800 -0.269 0.000 2.416 839 Q HA 0.783 5.123 4.340 0.000 0.000 0.281 839 Q C -0.054 175.805 176.000 -0.234 0.000 1.067 839 Q CA -0.370 55.282 55.803 -0.252 0.000 0.809 839 Q CB 1.904 30.524 28.738 -0.197 0.000 1.418 839 Q HN 2.224 nan 8.270 nan 0.000 0.411 840 A N 1.616 124.314 122.820 -0.204 0.000 2.507 840 A HA 0.457 4.777 4.320 0.000 0.000 0.235 840 A C -1.126 176.569 177.584 0.184 0.000 1.070 840 A CA 0.471 52.493 52.037 -0.025 0.000 0.768 840 A CB 0.047 19.118 19.000 0.118 0.000 1.011 840 A HN 0.671 nan 8.150 nan 0.000 0.502 841 Y N 0.318 120.624 120.300 0.010 0.000 2.643 841 Y HA 0.332 4.882 4.550 0.000 0.000 0.347 841 Y C -2.445 173.501 175.900 0.078 0.000 1.208 841 Y CA -1.324 56.774 58.100 -0.003 0.000 1.245 841 Y CB 1.291 39.676 38.460 -0.126 0.000 1.369 841 Y HN 0.663 nan 8.280 nan 0.000 0.487 842 P HA 0.300 nan 4.420 nan 0.000 0.264 842 P C -0.663 176.749 177.300 0.188 0.000 1.183 842 P CA 0.142 63.231 63.100 -0.018 0.000 0.763 842 P CB 0.705 32.316 31.700 -0.148 0.000 0.807 843 A N 3.305 126.201 122.820 0.127 0.000 2.386 843 A HA 0.156 4.476 4.320 0.000 0.000 0.248 843 A C 1.147 178.698 177.584 -0.054 0.000 1.082 843 A CA -0.319 51.772 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 -0.254 118.291 118.700 -0.259 0.000 2.177 844 N HA 0.231 4.971 4.740 0.000 0.000 0.218 844 N C -0.762 174.633 175.510 -0.192 0.000 1.182 844 N CA -0.076 52.814 53.050 -0.266 0.000 0.882 844 N CB 0.312 38.535 38.487 -0.440 0.000 1.052 844 N HN 0.418 nan 8.380 nan 0.000 0.519 845 F N 0.947 120.666 119.950 -0.384 0.000 2.650 845 F HA 0.603 5.130 4.527 0.000 0.000 0.310 845 F C -2.881 172.648 175.800 -0.452 0.000 1.112 845 F CA -1.480 56.284 58.000 -0.393 0.000 0.986 845 F CB 2.159 40.980 39.000 -0.297 0.000 1.285 845 F HN -0.198 nan 8.300 nan 0.000 0.440 846 P HA 0.279 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 -0.317 61.969 63.100 -1.356 0.000 0.811 846 P CB 1.253 32.253 31.700 -1.168 0.000 1.211 847 Y N -0.180 119.887 120.300 -0.389 0.000 2.411 847 Y HA 0.200 4.750 4.550 0.000 0.000 0.333 847 Y C -1.443 174.334 175.900 -0.205 0.000 1.186 847 Y CA -1.260 56.714 58.100 -0.211 0.000 1.381 847 Y CB -0.991 37.374 38.460 -0.160 0.000 1.273 847 Y HN 0.212 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 0.173 63.252 63.100 -0.035 0.000 0.768 848 P CB 0.583 32.270 31.700 -0.020 0.000 0.856 849 L N 3.335 124.518 121.223 -0.067 0.000 2.640 849 L HA 0.300 4.640 4.340 0.000 0.000 0.230 849 L C 0.933 177.764 176.870 -0.065 0.000 1.123 849 L CA 0.095 54.886 54.840 -0.082 0.000 0.900 849 L CB -0.127 41.883 42.059 -0.082 0.000 1.146 849 L HN 0.387 nan 8.230 nan 0.000 0.484 850 I N -4.048 116.492 120.570 -0.050 0.000 3.042 850 I HA 0.895 5.065 4.170 0.000 0.000 0.310 850 I C 0.423 176.522 176.117 -0.029 0.000 1.117 850 I CA -0.634 60.644 61.300 -0.037 0.000 1.003 850 I CB 1.788 39.771 38.000 -0.028 0.000 1.228 850 I HN 0.045 nan 8.210 nan 0.000 0.443 851 G N 3.267 112.053 108.800 -0.023 0.000 2.693 851 G HA2 -0.230 3.730 3.960 0.000 0.000 0.226 851 G HA3 -0.230 3.730 3.960 0.000 0.000 0.226 851 G C 0.155 175.047 174.900 -0.014 0.000 1.354 851 G CA 0.253 45.343 45.100 -0.016 0.000 0.873 851 G HN 0.925 nan 8.290 nan 0.000 0.562 852 K N -0.234 120.162 120.400 -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 2.305 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 0.796 nan 8.250 nan 0.000 0.442 853 T N -0.068 114.487 114.554 0.000 0.000 2.788 853 T HA -0.047 4.303 4.350 0.000 0.000 0.268 853 T C 1.114 175.805 174.700 -0.016 0.000 1.044 853 T CA 0.556 62.659 62.100 0.006 0.000 1.139 853 T CB -0.429 68.441 68.868 0.003 0.000 0.867 853 T HN 0.183 nan 8.240 nan 0.000 0.454 854 A N 2.582 125.380 122.820 -0.038 0.000 2.584 854 A HA 0.437 4.757 4.320 0.000 0.000 0.239 854 A C 0.737 178.248 177.584 -0.122 0.000 1.043 854 A CA -0.044 51.946 52.037 -0.077 0.000 0.756 854 A CB -0.417 18.544 19.000 -0.066 0.000 0.963 854 A HN 1.068 nan 8.150 nan 0.000 0.511 855 V N 1.847 121.616 119.914 -0.242 0.000 2.834 855 V HA 0.319 4.439 4.120 0.000 0.000 0.301 855 V C 0.047 175.941 176.094 -0.334 0.000 1.066 855 V CA -1.034 60.971 62.300 -0.493 0.000 1.052 855 V CB 0.963 32.242 31.823 -0.908 0.000 1.021 855 V HN 0.789 nan 8.190 nan 0.000 0.480 856 D N 3.591 123.823 120.400 -0.281 0.000 2.487 856 D HA 0.231 4.871 4.640 0.000 0.000 0.243 856 D C 0.409 176.608 176.300 -0.168 0.000 1.154 856 D CA 0.821 54.746 54.000 -0.124 0.000 0.876 856 D CB 0.976 41.775 40.800 -0.001 0.000 1.161 856 D HN 1.014 nan 8.370 nan 0.000 0.478 857 S N 2.028 117.653 115.700 -0.125 0.000 2.677 857 S HA 0.760 5.230 4.470 0.000 0.000 0.304 857 S C -0.264 174.280 174.600 -0.094 0.000 1.108 857 S CA -0.970 57.155 58.200 -0.125 0.000 0.944 857 S CB 2.208 65.335 63.200 -0.122 0.000 1.127 857 S HN 0.473 nan 8.310 nan 0.000 0.511 858 I N 0.451 120.963 120.570 -0.097 0.000 2.730 858 I HA 0.526 4.696 4.170 0.000 0.000 0.298 858 I C -1.078 174.989 176.117 -0.083 0.000 1.089 858 I CA -0.380 60.875 61.300 -0.076 0.000 1.041 858 I CB 2.376 40.333 38.000 -0.071 0.000 1.235 858 I HN 0.773 nan 8.210 nan 0.000 0.423 859 T N 5.621 120.140 114.554 -0.060 0.000 2.867 859 T HA 0.432 4.782 4.350 0.000 0.000 0.282 859 T C -0.909 173.768 174.700 -0.038 0.000 1.000 859 T CA -0.474 61.588 62.100 -0.062 0.000 1.042 859 T CB 1.267 70.116 68.868 -0.032 0.000 0.973 859 T HN 0.498 nan 8.240 nan 0.000 0.465 860 Q N 1.875 121.638 119.800 -0.063 0.000 2.337 860 Q HA 0.529 4.869 4.340 0.000 0.000 0.270 860 Q C -0.880 175.224 176.000 0.174 0.000 1.043 860 Q CA -0.793 55.032 55.803 0.037 0.000 0.794 860 Q CB 2.777 31.513 28.738 -0.004 0.000 1.281 860 Q HN 0.403 nan 8.270 nan 0.000 0.446 861 K N 1.980 122.529 120.400 0.249 0.000 2.316 861 K HA 0.536 4.856 4.320 0.000 0.000 0.251 861 K C -0.995 175.778 176.600 0.288 0.000 0.934 861 K CA -0.489 55.972 56.287 0.291 0.000 0.802 861 K CB 1.743 34.358 32.500 0.193 0.000 1.171 861 K HN 0.627 nan 8.250 nan 0.000 0.426 862 K N 0.802 121.348 120.400 0.243 0.000 2.544 862 K HA 0.513 4.833 4.320 0.000 0.000 0.282 862 K C -1.539 175.164 176.600 0.171 0.000 1.020 862 K CA -0.948 55.421 56.287 0.136 0.000 0.830 862 K CB 1.068 33.525 32.500 -0.072 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 0.714 5.241 4.527 0.000 0.000 0.311 863 F C -2.374 173.436 175.800 0.017 0.000 1.149 863 F CA -1.170 56.829 58.000 -0.002 0.000 0.930 863 F CB 1.037 40.137 39.000 0.166 0.000 1.312 863 F HN 0.354 nan 8.300 nan 0.000 0.450 864 L N 1.908 123.216 121.223 0.141 0.000 2.341 864 L HA 0.747 5.087 4.340 0.000 0.000 0.267 864 L C -0.958 176.186 176.870 0.457 0.000 1.009 864 L CA -0.741 54.131 54.840 0.053 0.000 0.819 864 L CB 2.016 44.008 42.059 -0.112 0.000 1.323 864 L HN 1.020 nan 8.230 nan 0.000 0.425 865 C N 2.097 121.655 119.300 0.430 0.000 3.166 865 C HA 0.342 4.802 4.460 0.000 0.000 0.277 865 C C -0.688 174.469 174.990 0.279 0.000 0.984 865 C CA -0.843 58.431 59.018 0.427 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 1.661 122.242 120.400 0.302 0.000 2.371 866 D HA 0.227 4.867 4.640 0.000 0.000 0.242 866 D C 0.982 177.509 176.300 0.378 0.000 1.218 866 D CA 0.135 54.370 54.000 0.391 0.000 0.945 866 D CB 0.437 41.539 40.800 0.503 0.000 1.137 866 D HN 0.727 nan 8.370 nan 0.000 0.464 867 R N -1.763 119.034 120.500 0.496 0.000 3.484 867 R HA -0.238 4.102 4.340 0.000 0.000 0.260 867 R C -0.666 175.920 176.300 0.476 0.000 1.053 867 R CA 0.962 57.363 56.100 0.502 0.000 0.703 867 R CB -2.545 28.041 30.300 0.477 0.000 1.089 867 R HN 0.354 nan 8.270 nan 0.000 0.459 868 T N -0.284 114.450 114.554 0.299 0.000 2.865 868 T HA 0.717 5.067 4.350 0.000 0.000 0.294 868 T C -1.001 173.591 174.700 -0.181 0.000 1.119 868 T CA -0.865 61.305 62.100 0.117 0.000 1.007 868 T CB 1.401 70.310 68.868 0.068 0.000 1.225 868 T HN 0.269 nan 8.240 nan 0.000 0.515 869 L N 1.893 122.947 121.223 -0.281 0.000 2.346 869 L HA 0.553 4.893 4.340 0.000 0.000 0.276 869 L C -0.618 175.987 176.870 -0.443 0.000 1.006 869 L CA -0.973 53.562 54.840 -0.509 0.000 0.817 869 L CB 1.761 43.547 42.059 -0.455 0.000 1.272 869 L HN 0.717 nan 8.230 nan 0.000 0.421 870 W N 2.771 123.707 121.300 -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 -0.506 56.429 57.345 -0.684 0.000 1.226 870 W CB 0.610 29.313 29.460 -1.261 0.000 1.155 870 W HN 0.286 nan 8.180 nan 0.000 0.565 871 R N 3.187 123.565 120.500 -0.203 0.000 2.628 871 R HA 0.568 4.908 4.340 0.000 0.000 0.288 871 R C -1.047 175.135 176.300 -0.196 0.000 0.980 871 R CA -0.954 55.029 56.100 -0.193 0.000 0.891 871 R CB 1.871 32.037 30.300 -0.223 0.000 1.188 871 R HN 0.435 nan 8.270 nan 0.000 0.450 872 I N 4.204 124.786 120.570 0.021 0.000 2.583 872 I HA 0.264 4.434 4.170 0.000 0.000 0.276 872 I C -2.295 174.046 176.117 0.372 0.000 1.089 872 I CA -2.082 59.282 61.300 0.107 0.000 1.103 872 I CB 2.059 40.096 38.000 0.063 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 -0.480 177.123 177.300 0.505 0.000 1.228 873 P CA -0.256 63.006 63.100 0.270 0.000 0.786 873 P CB 1.010 32.817 31.700 0.179 0.000 0.927 874 F N 2.427 122.367 119.950 -0.017 0.000 2.640 874 F HA 0.298 4.825 4.527 0.000 0.000 0.354 874 F C 0.355 176.202 175.800 0.078 0.000 1.213 874 F CA -0.142 57.836 58.000 -0.036 0.000 1.314 874 F CB -0.595 38.126 39.000 -0.464 0.000 1.679 874 F HN 0.118 nan 8.300 nan 0.000 0.622 875 S N 0.702 116.513 115.700 0.185 0.000 2.538 875 S HA 0.326 4.796 4.470 0.000 0.000 0.288 875 S C 0.964 175.518 174.600 -0.077 0.000 1.108 875 S CA -0.512 57.701 58.200 0.022 0.000 0.971 875 S CB 1.612 64.854 63.200 0.070 0.000 1.041 875 S HN 0.317 nan 8.310 nan 0.000 0.483 876 S N 3.076 118.696 115.700 -0.133 0.000 2.420 876 S HA -0.139 4.331 4.470 0.000 0.000 0.237 876 S C 1.239 175.645 174.600 -0.323 0.000 1.023 876 S CA 1.899 59.977 58.200 -0.202 0.000 0.991 876 S CB -0.403 62.715 63.200 -0.137 0.000 0.792 876 S HN 0.882 nan 8.310 nan 0.000 0.488 877 N N -0.785 117.776 118.700 -0.231 0.000 2.197 877 N HA 0.212 4.952 4.740 0.000 0.000 0.228 877 N C 0.204 175.742 175.510 0.047 0.000 1.212 877 N CA -0.359 52.604 53.050 -0.146 0.000 0.883 877 N CB -0.850 37.614 38.487 -0.040 0.000 1.107 877 N HN 0.342 nan 8.380 nan 0.000 0.519 878 F N -1.246 118.784 119.950 0.133 0.000 2.825 878 F HA -0.306 4.221 4.527 0.000 0.000 0.358 878 F C 0.454 176.282 175.800 0.047 0.000 0.639 878 F CA 0.526 58.589 58.000 0.104 0.000 1.153 878 F CB -1.462 37.580 39.000 0.069 0.000 1.610 878 F HN 0.082 nan 8.300 nan 0.000 0.305 879 M N 0.078 119.799 119.600 0.202 0.000 2.283 879 M HA 0.304 4.784 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 0.003 55.377 55.300 0.123 0.000 1.084 879 M CB 0.933 33.615 32.600 0.137 0.000 1.468 879 M HN -0.089 nan 8.290 nan 0.000 0.474 880 S N 2.197 117.918 115.700 0.035 0.000 2.430 880 S HA 0.406 4.877 4.470 0.000 0.000 0.289 880 S C 0.215 174.827 174.600 0.020 0.000 1.143 880 S CA -0.416 57.791 58.200 0.011 0.000 1.067 880 S CB 0.287 63.480 63.200 -0.012 0.000 0.964 880 S HN 0.651 nan 8.310 nan 0.000 0.485 881 M N 2.386 121.995 119.600 0.016 0.000 2.504 881 M HA 0.327 4.807 4.480 0.000 0.000 0.370 881 M C 0.513 176.822 176.300 0.015 0.000 1.110 881 M CA -0.203 55.107 55.300 0.016 0.000 0.938 881 M CB 0.978 33.585 32.600 0.012 0.000 1.460 881 M HN 0.816 nan 8.290 nan 0.000 0.535 882 G N -0.169 108.640 108.800 0.015 0.000 2.307 882 G HA2 0.287 4.247 3.960 0.000 0.000 0.348 882 G HA3 0.287 4.247 3.960 0.000 0.000 0.348 882 G C 0.095 175.016 174.900 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 0.445 123.300 122.820 0.059 0.000 1.892 883 A HA 0.107 4.427 4.320 0.000 0.000 0.218 883 A C 1.646 179.364 177.584 0.224 0.000 1.188 883 A CA 2.164 54.252 52.037 0.085 0.000 0.631 883 A CB -0.305 18.792 19.000 0.163 0.000 0.822 883 A HN 1.794 nan 8.150 nan 0.000 0.447 884 L N 2.286 123.679 121.223 0.284 0.000 2.334 884 L HA 0.292 4.633 4.340 0.000 0.000 0.286 884 L C 0.903 177.841 176.870 0.113 0.000 1.108 884 L CA 0.312 55.304 54.840 0.252 0.000 0.875 884 L CB -0.429 41.673 42.059 0.071 0.000 1.246 884 L HN 0.432 nan 8.230 nan 0.000 0.439 885 T N 0.023 114.634 114.554 0.094 0.000 2.795 885 T HA 0.047 4.397 4.350 0.000 0.000 0.314 885 T C 1.109 175.816 174.700 0.011 0.000 1.069 885 T CA 0.186 62.306 62.100 0.032 0.000 1.071 885 T CB 0.504 69.379 68.868 0.011 0.000 0.988 885 T HN 0.693 nan 8.240 nan 0.000 0.543 886 D N 1.235 121.622 120.400 -0.022 0.000 2.117 886 D HA -0.123 4.517 4.640 0.000 0.000 0.198 886 D C 2.074 178.343 176.300 -0.053 0.000 0.982 886 D CA 1.112 55.094 54.000 -0.030 0.000 0.828 886 D CB -0.608 40.170 40.800 -0.037 0.000 0.967 886 D HN 0.568 nan 8.370 nan 0.000 0.464 887 L N 0.391 121.521 121.223 -0.155 0.000 2.141 887 L HA 0.064 4.404 4.340 0.000 0.000 0.209 887 L C 2.675 179.404 176.870 -0.234 0.000 1.094 887 L CA 1.191 55.846 54.840 -0.308 0.000 0.763 887 L CB -0.683 40.821 42.059 -0.926 0.000 0.908 887 L HN 0.200 nan 8.230 nan 0.000 0.437 888 G N -0.930 107.841 108.800 -0.048 0.000 2.470 888 G HA2 -0.282 3.678 3.960 0.000 0.000 0.220 888 G HA3 -0.282 3.678 3.960 0.000 0.000 0.220 888 G C 1.424 176.381 174.900 0.094 0.000 1.121 888 G CA 0.360 45.516 45.100 0.092 0.000 0.766 888 G HN 0.417 nan 8.290 nan 0.000 0.553 889 Q N -0.198 119.644 119.800 0.069 0.000 2.179 889 Q HA 0.162 4.502 4.340 0.000 0.000 0.213 889 Q C 0.218 176.283 176.000 0.107 0.000 0.833 889 Q CA -0.497 55.353 55.803 0.079 0.000 0.990 889 Q CB -0.040 28.722 28.738 0.041 0.000 1.132 889 Q HN 0.457 nan 8.270 nan 0.000 0.493 890 N N 0.044 118.845 118.700 0.169 0.000 2.497 890 N HA 0.018 4.758 4.740 0.000 0.000 0.268 890 N C 0.913 176.543 175.510 0.200 0.000 1.171 890 N CA -0.012 53.158 53.050 0.199 0.000 0.948 890 N CB 0.640 39.319 38.487 0.320 0.000 1.069 890 N HN 0.249 nan 8.380 nan 0.000 0.460 891 L N 2.888 124.177 121.223 0.110 0.000 2.189 891 L HA -0.198 4.142 4.340 0.000 0.000 0.214 891 L C 2.033 178.950 176.870 0.077 0.000 1.097 891 L CA 0.562 55.453 54.840 0.086 0.000 0.764 891 L CB -0.486 41.603 42.059 0.050 0.000 0.900 891 L HN 0.676 nan 8.230 nan 0.000 0.436 892 L N -0.816 120.424 121.223 0.028 0.000 2.042 892 L HA -0.246 4.094 4.340 0.000 0.000 0.210 892 L C 2.334 179.132 176.870 -0.120 0.000 1.076 892 L CA 1.956 56.739 54.840 -0.095 0.000 0.749 892 L CB -0.645 41.243 42.059 -0.285 0.000 0.893 892 L HN 0.106 nan 8.230 nan 0.000 0.432 893 Y N -0.438 119.874 120.300 0.019 0.000 2.153 893 Y HA 0.004 4.554 4.550 0.000 0.000 0.289 893 Y C 2.593 178.585 175.900 0.153 0.000 1.127 893 Y CA 1.360 59.499 58.100 0.064 0.000 1.131 893 Y CB -1.069 37.466 38.460 0.126 0.000 0.995 893 Y HN 0.258 nan 8.280 nan 0.000 0.505 894 A N 0.604 123.594 122.820 0.284 0.000 1.898 894 A HA -0.193 4.127 4.320 0.000 0.000 0.216 894 A C 1.920 179.586 177.584 0.137 0.000 1.181 894 A CA 1.927 54.075 52.037 0.186 0.000 0.620 894 A CB -0.712 18.370 19.000 0.138 0.000 0.819 894 A HN 0.438 nan 8.150 nan 0.000 0.442 895 N N 0.454 119.226 118.700 0.120 0.000 2.120 895 N HA -0.055 4.685 4.740 0.000 0.000 0.188 895 N C 0.669 176.232 175.510 0.088 0.000 1.024 895 N CA 1.329 54.431 53.050 0.086 0.000 0.852 895 N CB -0.282 38.244 38.487 0.066 0.000 1.003 895 N HN 0.581 nan 8.380 nan 0.000 0.424 896 S N -1.019 114.761 115.700 0.134 0.000 2.536 896 S HA 0.792 5.262 4.470 0.000 0.000 0.287 896 S C -0.506 174.201 174.600 0.178 0.000 1.101 896 S CA -1.101 57.158 58.200 0.098 0.000 0.950 896 S CB 2.602 65.815 63.200 0.022 0.000 1.056 896 S HN 0.286 nan 8.310 nan 0.000 0.481 897 A N 1.898 124.764 122.820 0.077 0.000 2.445 897 A HA 0.608 4.928 4.320 0.000 0.000 0.242 897 A C -0.368 177.251 177.584 0.058 0.000 1.075 897 A CA 0.078 52.198 52.037 0.138 0.000 0.777 897 A CB -0.302 18.727 19.000 0.048 0.000 1.013 897 A HN 0.940 nan 8.150 nan 0.000 0.493 898 H N -0.947 118.314 119.070 0.318 0.000 2.895 898 H HA 0.651 5.207 4.556 0.000 0.000 0.373 898 H C -0.013 175.575 175.328 0.433 0.000 1.174 898 H CA 0.418 56.655 56.048 0.315 0.000 1.144 898 H CB 1.959 31.868 29.762 0.246 0.000 1.793 898 H HN 0.943 nan 8.280 nan 0.000 0.551 899 A N 1.704 124.758 122.820 0.390 0.000 2.312 899 A HA 0.639 4.959 4.320 0.000 0.000 0.328 899 A C -1.285 176.435 177.584 0.227 0.000 1.158 899 A CA -0.521 51.696 52.037 0.299 0.000 0.821 899 A CB 0.687 19.786 19.000 0.164 0.000 1.170 899 A HN 0.495 nan 8.150 nan 0.000 0.490 900 L N 1.207 122.524 121.223 0.157 0.000 2.365 900 L HA 0.681 5.021 4.340 0.000 0.000 0.273 900 L C -1.505 175.341 176.870 -0.040 0.000 1.000 900 L CA -0.195 54.578 54.840 -0.111 0.000 0.819 900 L CB 2.092 44.027 42.059 -0.207 0.000 1.284 900 L HN 0.628 nan 8.230 nan 0.000 0.418 901 D N 5.462 125.781 120.400 -0.134 0.000 2.646 901 D HA 0.528 5.168 4.640 0.000 0.000 0.245 901 D C -0.925 175.285 176.300 -0.150 0.000 1.099 901 D CA -0.073 53.879 54.000 -0.080 0.000 0.849 901 D CB 2.395 43.163 40.800 -0.053 0.000 1.448 901 D HN 0.520 nan 8.370 nan 0.000 0.489 902 M N 0.803 120.329 119.600 -0.122 0.000 2.457 902 M HA 0.327 4.807 4.480 0.000 0.000 0.300 902 M C -1.103 175.088 176.300 -0.181 0.000 1.141 902 M CA -0.456 54.703 55.300 -0.235 0.000 0.901 902 M CB 2.685 35.158 32.600 -0.213 0.000 1.687 902 M HN 0.091 nan 8.290 nan 0.000 0.449 903 T N 3.194 117.562 114.554 -0.310 0.000 2.906 903 T HA 0.561 4.911 4.350 0.000 0.000 0.302 903 T C -1.159 173.364 174.700 -0.295 0.000 1.002 903 T CA -0.359 61.635 62.100 -0.175 0.000 0.988 903 T CB 0.429 69.222 68.868 -0.125 0.000 0.972 903 T HN 0.265 nan 8.240 nan 0.000 0.447 904 F N 1.964 121.822 119.950 -0.153 0.000 2.421 904 F HA 0.531 5.058 4.527 0.000 0.000 0.337 904 F C 0.773 176.521 175.800 -0.086 0.000 1.105 904 F CA -1.100 56.824 58.000 -0.127 0.000 1.049 904 F CB 1.362 40.306 39.000 -0.093 0.000 1.139 904 F HN 0.454 nan 8.300 nan 0.000 0.479 905 E N 3.003 123.256 120.200 0.087 0.000 2.176 905 E HA 0.651 5.001 4.350 0.000 0.000 0.267 905 E C -1.503 175.100 176.600 0.006 0.000 0.893 905 E CA -0.742 55.670 56.400 0.020 0.000 0.761 905 E CB 1.619 31.306 29.700 -0.022 0.000 1.133 905 E HN 0.533 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 0.545 4.665 4.120 0.000 0.000 0.312 906 V C -0.647 175.375 176.094 -0.119 0.000 1.157 906 V CA -1.116 61.090 62.300 -0.157 0.000 1.041 906 V CB 1.872 33.500 31.823 -0.324 0.000 1.071 906 V HN 0.575 nan 8.190 nan 0.000 0.441 907 D N 3.143 123.460 120.400 -0.139 0.000 2.389 907 D HA 0.384 5.024 4.640 0.000 0.000 0.247 907 D C -2.366 173.881 176.300 -0.087 0.000 1.128 907 D CA -0.876 53.072 54.000 -0.088 0.000 0.884 907 D CB 1.144 41.895 40.800 -0.082 0.000 1.194 907 D HN 0.654 nan 8.370 nan 0.000 0.441 908 P HA 0.179 nan 4.420 nan 0.000 0.275 908 P C -0.657 176.626 177.300 -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 32.620 31.700 -0.019 0.000 0.906 909 M N 2.009 121.592 119.600 -0.029 0.000 2.395 909 M HA 0.170 4.650 4.480 0.000 0.000 0.307 909 M C 0.147 176.448 176.300 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 34.586 32.600 -0.024 0.000 1.662 909 M HN 0.249 nan 8.290 nan 0.000 0.440 910 D N 0.835 121.245 120.400 0.017 0.000 2.494 910 D HA 0.011 4.651 4.640 0.000 0.000 0.249 910 D C -0.298 176.009 176.300 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 -1.843 118.359 120.200 0.004 0.000 2.390 911 E HA 0.398 4.748 4.350 0.000 0.000 0.280 911 E C -3.258 173.336 176.600 -0.010 0.000 0.992 911 E CA -2.456 53.943 56.400 -0.002 0.000 0.790 911 E CB 0.940 30.643 29.700 0.006 0.000 1.248 911 E HN -0.224 nan 8.360 nan 0.000 0.447 912 P HA 0.063 nan 4.420 nan 0.000 0.263 912 P C -0.638 176.651 177.300 -0.018 0.000 1.195 912 P CA 0.474 63.563 63.100 -0.018 0.000 0.762 912 P CB 0.700 32.387 31.700 -0.022 0.000 0.799 913 T N 0.928 115.470 114.554 -0.020 0.000 2.773 913 T HA 0.805 5.155 4.350 0.000 0.000 0.278 913 T C -0.790 173.906 174.700 -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 0.642 121.873 121.223 0.014 0.000 2.455 914 L HA 0.571 4.911 4.340 0.000 0.000 0.264 914 L C -1.388 175.540 176.870 0.097 0.000 0.968 914 L CA -1.214 53.654 54.840 0.046 0.000 0.827 914 L CB 2.284 44.362 42.059 0.032 0.000 1.317 914 L HN 0.602 nan 8.230 nan 0.000 0.407 915 L N 3.084 124.378 121.223 0.119 0.000 2.260 915 L HA 0.305 4.645 4.340 0.000 0.000 0.289 915 L C -0.980 176.061 176.870 0.285 0.000 1.057 915 L CA 0.300 55.218 54.840 0.130 0.000 0.811 915 L CB 0.404 42.430 42.059 -0.055 0.000 1.184 915 L HN 0.492 nan 8.230 nan 0.000 0.429 916 Y N 5.881 126.274 120.300 0.155 0.000 2.434 916 Y HA 0.590 5.140 4.550 0.000 0.000 0.341 916 Y C -0.976 175.020 175.900 0.160 0.000 0.965 916 Y CA -1.138 57.071 58.100 0.182 0.000 1.205 916 Y CB 1.038 39.622 38.460 0.207 0.000 1.121 916 Y HN 0.386 nan 8.280 nan 0.000 0.507 917 V N 7.497 127.639 119.914 0.380 0.000 2.417 917 V HA 0.268 4.388 4.120 0.000 0.000 0.291 917 V C -0.338 175.788 176.094 0.052 0.000 1.024 917 V CA -0.880 61.487 62.300 0.110 0.000 0.861 917 V CB 1.535 33.423 31.823 0.109 0.000 0.985 917 V HN 0.625 nan 8.190 nan 0.000 0.436 918 L N 5.237 126.362 121.223 -0.163 0.000 2.265 918 L HA 0.512 4.852 4.340 0.000 0.000 0.289 918 L C -0.679 176.105 176.870 -0.143 0.000 1.033 918 L CA 0.020 54.792 54.840 -0.113 0.000 0.814 918 L CB 0.935 42.855 42.059 -0.232 0.000 1.203 918 L HN 0.520 nan 8.230 nan 0.000 0.423 919 F N 2.048 121.986 119.950 -0.020 0.000 2.368 919 F HA 0.234 4.761 4.527 0.000 0.000 0.362 919 F C 1.120 176.852 175.800 -0.112 0.000 1.137 919 F CA -0.559 57.430 58.000 -0.019 0.000 1.161 919 F CB 0.594 39.413 39.000 -0.302 0.000 1.265 919 F HN 0.434 nan 8.300 nan 0.000 0.530 920 E N 3.511 123.648 120.200 -0.106 0.000 2.351 920 E HA 0.311 4.661 4.350 0.000 0.000 0.266 920 E C 0.008 176.471 176.600 -0.228 0.000 1.031 920 E CA -0.149 56.096 56.400 -0.258 0.000 0.911 920 E CB 0.903 30.362 29.700 -0.401 0.000 0.986 920 E HN 0.503 nan 8.360 nan 0.000 0.446 921 V N 0.163 119.960 119.914 -0.196 0.000 3.109 921 V HA 0.582 4.702 4.120 0.000 0.000 0.311 921 V C -1.203 174.698 176.094 -0.322 0.000 1.389 921 V CA -1.080 61.161 62.300 -0.099 0.000 1.034 921 V CB 1.070 32.957 31.823 0.106 0.000 1.105 921 V HN 0.415 nan 8.190 nan 0.000 0.477 922 F N 1.002 120.943 119.950 -0.015 0.000 2.426 922 F HA 0.690 5.217 4.527 0.000 0.000 0.348 922 F C -0.295 175.491 175.800 -0.024 0.000 1.124 922 F CA -0.143 57.834 58.000 -0.039 0.000 1.008 922 F CB 1.520 40.511 39.000 -0.016 0.000 1.139 922 F HN 0.583 nan 8.300 nan 0.000 0.452 923 D N 4.076 124.491 120.400 0.025 0.000 2.462 923 D HA 0.457 5.097 4.640 0.000 0.000 0.249 923 D C -1.018 175.267 176.300 -0.025 0.000 1.117 923 D CA 0.022 54.010 54.000 -0.020 0.000 0.900 923 D CB 1.032 41.701 40.800 -0.218 0.000 1.039 923 D HN 0.152 nan 8.370 nan 0.000 0.516 924 V N 1.900 121.916 119.914 0.170 0.000 3.019 924 V HA 0.725 4.845 4.120 0.000 0.000 0.317 924 V C -0.056 176.188 176.094 0.250 0.000 1.094 924 V CA -0.868 61.561 62.300 0.214 0.000 1.000 924 V CB 2.348 34.260 31.823 0.149 0.000 1.060 924 V HN 0.231 nan 8.190 nan 0.000 0.443 925 V N 1.798 121.818 119.914 0.177 0.000 2.851 925 V HA 0.541 4.661 4.120 0.000 0.000 0.307 925 V C -0.580 175.501 176.094 -0.022 0.000 1.129 925 V CA -0.736 61.525 62.300 -0.066 0.000 0.932 925 V CB 2.074 33.709 31.823 -0.314 0.000 1.024 925 V HN 0.872 nan 8.190 nan 0.000 0.426 926 R N 2.584 123.048 120.500 -0.060 0.000 2.437 926 R HA 0.791 5.131 4.340 0.000 0.000 0.310 926 R C -1.619 174.680 176.300 -0.002 0.000 0.955 926 R CA -0.381 55.701 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 4.537 124.476 119.914 0.042 0.000 2.435 927 V HA 0.308 4.428 4.120 0.000 0.000 0.290 927 V C -0.131 176.045 176.094 0.136 0.000 1.030 927 V CA -0.623 61.730 62.300 0.088 0.000 0.881 927 V CB 1.296 33.194 31.823 0.126 0.000 0.983 927 V HN 0.722 nan 8.190 nan 0.000 0.445 928 H N 5.475 124.558 119.070 0.022 0.000 2.489 928 H HA 0.559 5.115 4.556 0.000 0.000 0.343 928 H C -0.557 174.789 175.328 0.030 0.000 1.086 928 H CA -0.933 55.124 56.048 0.016 0.000 1.198 928 H CB 1.386 31.157 29.762 0.014 0.000 1.490 928 H HN 0.535 nan 8.280 nan 0.000 0.504 929 R N 5.670 125.983 120.500 -0.311 0.000 2.681 929 R HA 0.148 4.488 4.340 0.000 0.000 0.277 929 R C -2.039 174.022 176.300 -0.398 0.000 1.563 929 R CA -1.540 54.414 56.100 -0.244 0.000 1.673 929 R CB 1.233 31.497 30.300 -0.059 0.000 1.258 929 R HN 0.575 nan 8.270 nan 0.000 0.650 930 P HA -0.158 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 64.220 63.100 -0.701 0.000 0.843 930 P CB 0.410 31.771 31.700 -0.566 0.000 0.787 931 H N -3.380 115.642 119.070 -0.081 0.000 2.977 931 H HA 0.421 4.977 4.556 0.000 0.000 0.350 931 H C -0.040 175.277 175.328 -0.019 0.000 1.238 931 H CA -1.065 54.962 56.048 -0.034 0.000 1.124 931 H CB 0.957 30.705 29.762 -0.022 0.000 1.866 931 H HN -0.194 nan 8.280 nan 0.000 0.550 932 R N 0.754 121.327 120.500 0.123 0.000 2.504 932 R HA 0.145 4.485 4.340 0.000 0.000 0.291 932 R C 0.491 176.790 176.300 -0.002 0.000 0.974 932 R CA 1.446 57.576 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 1.063 nan 8.270 nan 0.000 0.407 933 G N 2.474 111.227 108.800 -0.079 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 -0.080 0.000 0.997 933 G CA 0.255 45.193 45.100 -0.270 0.000 0.708 933 G HN 0.511 nan 8.290 nan 0.000 0.520 934 V N 1.213 121.167 119.914 0.068 0.000 2.487 934 V HA 0.675 4.795 4.120 0.000 0.000 0.298 934 V C 0.228 176.406 176.094 0.140 0.000 1.028 934 V CA -0.738 61.624 62.300 0.104 0.000 0.860 934 V CB 1.854 33.740 31.823 0.104 0.000 0.991 934 V HN 0.297 nan 8.190 nan 0.000 0.427 935 I N 4.401 125.067 120.570 0.160 0.000 2.439 935 I HA 0.518 4.688 4.170 0.000 0.000 0.285 935 I C -0.415 175.778 176.117 0.126 0.000 1.021 935 I CA -0.438 60.945 61.300 0.137 0.000 1.091 935 I CB 1.987 40.078 38.000 0.152 0.000 1.242 935 I HN 0.601 nan 8.210 nan 0.000 0.439 936 E N 4.564 124.839 120.200 0.125 0.000 2.199 936 E HA 0.576 4.926 4.350 0.000 0.000 0.269 936 E C -0.739 175.949 176.600 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 32.413 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 -0.576 174.195 174.700 0.118 0.000 1.028 937 T CA -0.792 61.365 62.100 0.096 0.000 0.995 937 T CB 1.368 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 0.417 4.537 4.120 0.000 0.000 0.293 938 V C -1.345 174.783 176.094 0.056 0.000 1.021 938 V CA -0.904 61.452 62.300 0.092 0.000 0.848 938 V CB 0.763 32.620 31.823 0.056 0.000 0.998 938 V HN 0.921 nan 8.190 nan 0.000 0.424 939 Y N 4.995 125.369 120.300 0.123 0.000 2.342 939 Y HA 0.754 5.304 4.550 0.000 0.000 0.334 939 Y C -0.174 175.806 175.900 0.134 0.000 1.067 939 Y CA -0.680 57.516 58.100 0.159 0.000 1.128 939 Y CB 1.927 40.496 38.460 0.182 0.000 1.200 939 Y HN 0.532 nan 8.280 nan 0.000 0.464 940 L N 4.631 126.029 121.223 0.291 0.000 2.505 940 L HA 0.528 4.868 4.340 0.000 0.000 0.266 940 L C -1.350 175.646 176.870 0.210 0.000 0.954 940 L CA -0.756 54.206 54.840 0.202 0.000 0.852 940 L CB 1.703 43.837 42.059 0.126 0.000 1.282 940 L HN 0.662 nan 8.230 nan 0.000 0.403 941 R N 3.522 124.134 120.500 0.188 0.000 2.487 941 R HA 0.516 4.856 4.340 0.000 0.000 0.288 941 R C -1.367 175.034 176.300 0.168 0.000 1.394 941 R CA -0.002 56.209 56.100 0.184 0.000 1.155 941 R CB 0.851 31.261 30.300 0.184 0.000 1.156 941 R HN 0.827 nan 8.270 nan 0.000 0.553 942 T N 1.396 116.060 114.554 0.183 0.000 2.829 942 T HA 0.577 4.927 4.350 0.000 0.000 0.280 942 T C -2.646 172.208 174.700 0.256 0.000 0.999 942 T CA -2.165 60.036 62.100 0.167 0.000 0.983 942 T CB 2.417 71.349 68.868 0.106 0.000 0.968 942 T HN 0.171 nan 8.240 nan 0.000 0.446 943 P HA 0.436 nan 4.420 nan 0.000 0.312 943 P C -0.291 177.143 177.300 0.223 0.000 1.307 943 P CA -0.642 62.536 63.100 0.130 0.000 0.738 943 P CB -0.089 31.628 31.700 0.028 0.000 1.422 944 F N -2.942 116.890 119.950 -0.197 0.000 2.969 944 F HA -0.201 4.326 4.527 0.000 0.000 0.273 944 F C 0.380 176.141 175.800 -0.066 0.000 0.986 944 F CA 0.189 58.089 58.000 -0.166 0.000 0.926 944 F CB -2.770 36.143 39.000 -0.145 0.000 0.887 944 F HN -0.066 nan 8.300 nan 0.000 0.816 945 S N 0.377 116.096 115.700 0.031 0.000 2.558 945 S HA 0.406 4.876 4.470 0.000 0.000 0.291 945 S C 0.898 175.540 174.600 0.069 0.000 1.306 945 S CA -0.150 58.083 58.200 0.055 0.000 1.056 945 S CB 0.657 63.865 63.200 0.013 0.000 0.836 945 S HN 0.743 nan 8.310 nan 0.000 0.504 946 A N 2.950 125.826 122.820 0.094 0.000 2.475 946 A HA 0.488 4.808 4.320 0.000 0.000 0.239 946 A C 1.198 178.811 177.584 0.049 0.000 1.087 946 A CA -0.016 52.071 52.037 0.083 0.000 0.779 946 A CB -0.604 18.452 19.000 0.094 0.000 1.036 946 A HN 1.335 nan 8.150 nan 0.000 0.506 947 G N 1.587 110.409 108.800 0.037 0.000 2.930 947 G HA2 -0.129 3.831 3.960 0.000 0.000 0.322 947 G HA3 -0.129 3.831 3.960 0.000 0.000 0.322 947 G C 0.358 175.268 174.900 0.016 0.000 0.250 947 G CA 0.509 45.621 45.100 0.020 0.000 1.215 947 G HN 0.787 nan 8.290 nan 0.000 0.231 948 N N 1.328 120.032 118.700 0.006 0.000 2.383 948 N HA 0.608 5.348 4.740 0.000 0.000 0.288 948 N C 1.357 176.867 175.510 -0.000 0.000 1.320 948 N CA 0.273 53.322 53.050 -0.001 0.000 0.941 948 N CB 0.859 39.335 38.487 -0.018 0.000 1.078 948 N HN 0.569 nan 8.380 nan 0.000 0.509 949 A N -2.134 120.683 122.820 -0.005 0.000 1.704 949 A HA 0.317 4.637 4.320 0.000 0.000 0.205 949 A C 0.136 177.714 177.584 -0.010 0.000 1.837 949 A CA 0.790 52.820 52.037 -0.012 0.000 1.364 949 A CB -0.325 18.661 19.000 -0.023 0.000 1.377 949 A HN 0.559 nan 8.150 nan 0.000 0.390 950 T N 0.000 114.550 114.554 -0.007 0.000 3.816 950 T HA 0.000 4.350 4.350 0.000 0.000 0.228 950 T CA 0.000 62.096 62.100 -0.006 0.000 1.349 950 T CB 0.000 68.862 68.868 -0.011 0.000 0.612 950 T HN 0.000 nan 8.240 nan 0.000 0.658