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_L DATA FIRST_RESID 2 DATA SEQUENCE TPSMMPQWSY MHISGQDASE YLSPGLVQFA RATETYFSLN NKFRNPTVAP DATA SEQUENCE THDVTTDRSQ RLTLRFIPVD REDTAYSYKA RFTLAVGDNR VLDMASTYFD DATA SEQUENCE IRGVLDRGPT FKPYSGTAYN ALAPKGAPNP CEWDXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXTHVFGQA PYSGINITKE GIQIGVEGQT PKYADKTFQP DATA SEQUENCE EPQIGESQWY ETEINHAAGR VLKKTTPMKP CYGSYAKPTN ENGGQGILVK DATA SEQUENCE QQNGKLESQV EMQFFSTTEA TAGNGDNLTP KVVLYSEDVD IETPDTHISY DATA SEQUENCE MPTIKEGNSR ELMGQQSMPN RPNYIAFRDN FIGLMYYNST GNMGVLAGQA DATA SEQUENCE SQLNAVVDLQ DRNTELSYQL LLDSIGDRTR YFSMWNQAVD SYDPDVRIIE DATA SEQUENCE NHGTEDELPN YCFPLGGVIN TETLTKVKPK TGQENGWEKD ATEFSDKNEI DATA SEQUENCE RVGNNFAMEI NLNANLWRNF LYSNIALYLP DKLKYSPSNV KISDNPNTYD DATA SEQUENCE YMNKRVVAPG LVDCYINLGA RWSLDYMDNV NPFNHHRNAG LRYRSMLLGN DATA SEQUENCE GRYVPFHIQV PQKFFAIKNL LLLPGSYTYE WNFRKDVNMV LQSSLGNDLR DATA SEQUENCE VDGASIKFDS ICLYATFFPM AHNTASTLEA MLRNDTNDQS FNDYLSAANM DATA SEQUENCE LYPIPANATN VPISIPSRNW AAFRGWAFTR LKTKETPSLG SGYDPYYTYS DATA SEQUENCE GSIPYLDGTF YLNHTFKKVA ITFDSSVSWP GNDRLLTPNE FEIKRSVDGE DATA SEQUENCE GYNVAQCNMT KDWFLVQMLA NYNIGYQGFY IPESYKDRMY SFFRNFQPMS DATA SEQUENCE RQVVDDTKYK DYQQVGILHQ HNNSGFVGYL APTMREGQAY PANFPYPLIG DATA SEQUENCE KTAVDSITQK KFLCDRTLWR IPFSSNFMSM GALTDLGQNL LYANSAHALD DATA SEQUENCE MTFEVDPMDE PTLLYVLFEV FDVVRVHRPH RGVIETVYLR TPFSAGNA 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.682 174.700 -0.031 0.000 1.109 2 T CA 0.000 62.106 62.100 0.011 0.000 1.349 2 T CB 0.000 68.888 68.868 0.033 0.000 0.612 3 P HA -0.149 nan 4.420 nan 0.000 0.217 3 P C 0.951 178.176 177.300 -0.124 0.000 0.876 3 P CA 0.902 63.965 63.100 -0.061 0.000 1.034 3 P CB -0.727 30.943 31.700 -0.051 0.000 0.655 4 S N 0.736 116.357 115.700 -0.131 0.000 2.629 4 S HA 0.180 4.650 4.470 -0.000 0.000 0.302 4 S C 0.434 174.855 174.600 -0.298 0.000 1.244 4 S CA -0.337 57.749 58.200 -0.190 0.000 1.098 4 S CB -1.329 61.789 63.200 -0.137 0.000 0.858 4 S HN 0.238 nan 8.310 nan 0.000 0.502 5 M N 4.637 123.921 119.600 -0.526 0.000 2.393 5 M HA 0.499 4.979 4.480 -0.000 0.000 0.316 5 M C 0.141 176.113 176.300 -0.546 0.000 1.087 5 M CA -0.947 54.068 55.300 -0.474 0.000 0.937 5 M CB 1.916 34.245 32.600 -0.452 0.000 1.668 5 M HN 0.624 nan 8.290 nan 0.000 0.438 6 M N 2.428 121.872 119.600 -0.260 0.000 2.657 6 M HA 0.317 4.797 4.480 -0.000 0.000 0.262 6 M C -1.598 174.680 176.300 -0.036 0.000 1.213 6 M CA 0.662 55.898 55.300 -0.106 0.000 1.182 6 M CB -0.748 31.832 32.600 -0.034 0.000 1.303 6 M HN 0.398 nan 8.290 nan 0.000 0.501 7 P HA -0.129 nan 4.420 nan 0.000 0.210 7 P C 1.246 178.568 177.300 0.037 0.000 1.189 7 P CA 1.301 64.392 63.100 -0.015 0.000 0.920 7 P CB -0.154 31.510 31.700 -0.059 0.000 0.782 8 Q N -1.318 118.469 119.800 -0.022 0.000 2.142 8 Q HA -0.223 4.117 4.340 -0.000 0.000 0.213 8 Q C 2.031 178.179 176.000 0.248 0.000 1.004 8 Q CA 1.735 57.576 55.803 0.064 0.000 0.883 8 Q CB -1.317 27.400 28.738 -0.035 0.000 0.939 8 Q HN 0.384 nan 8.270 nan 0.000 0.413 9 W N -0.354 120.957 121.300 0.019 0.000 2.444 9 W HA 0.075 4.735 4.660 -0.000 0.000 0.308 9 W C 2.675 179.174 176.519 -0.032 0.000 1.183 9 W CA 0.788 58.136 57.345 0.004 0.000 1.340 9 W CB -1.604 27.863 29.460 0.012 0.000 1.138 9 W HN 0.170 nan 8.180 nan 0.000 0.510 10 S N -0.248 115.582 115.700 0.216 0.000 2.372 10 S HA -0.325 4.145 4.470 -0.000 0.000 0.227 10 S C 1.976 176.496 174.600 -0.133 0.000 1.044 10 S CA 1.947 60.182 58.200 0.059 0.000 1.050 10 S CB -0.953 62.286 63.200 0.064 0.000 0.901 10 S HN 0.248 nan 8.310 nan 0.000 0.447 11 Y N 1.035 121.234 120.300 -0.168 0.000 2.224 11 Y HA 0.056 4.606 4.550 -0.000 0.000 0.289 11 Y C 1.978 177.665 175.900 -0.355 0.000 1.146 11 Y CA 1.712 59.656 58.100 -0.260 0.000 1.182 11 Y CB -0.156 38.228 38.460 -0.126 0.000 0.983 11 Y HN 0.267 nan 8.280 nan 0.000 0.524 12 M N -0.404 119.074 119.600 -0.203 0.000 2.495 12 M HA 0.030 4.510 4.480 -0.000 0.000 0.237 12 M C -0.042 176.180 176.300 -0.130 0.000 1.131 12 M CA 0.659 55.847 55.300 -0.187 0.000 1.032 12 M CB -1.109 31.518 32.600 0.046 0.000 1.513 12 M HN 0.389 nan 8.290 nan 0.000 0.488 13 H N -0.894 118.095 119.070 -0.134 0.000 2.936 13 H HA -0.143 4.413 4.556 -0.000 0.000 0.276 13 H C 1.161 176.456 175.328 -0.055 0.000 1.216 13 H CA 0.540 56.509 56.048 -0.132 0.000 1.132 13 H CB -1.502 28.149 29.762 -0.185 0.000 1.303 13 H HN 0.294 nan 8.280 nan 0.000 0.370 14 I N -0.138 120.454 120.570 0.036 0.000 2.546 14 I HA -0.069 4.101 4.170 -0.000 0.000 0.255 14 I C 1.601 177.649 176.117 -0.113 0.000 1.163 14 I CA 1.512 62.744 61.300 -0.114 0.000 1.457 14 I CB -0.342 37.465 38.000 -0.322 0.000 1.092 14 I HN 0.349 nan 8.210 nan 0.000 0.434 15 S N -1.183 114.551 115.700 0.057 0.000 2.705 15 S HA 0.799 5.269 4.470 -0.000 0.000 0.280 15 S C -0.011 174.678 174.600 0.149 0.000 1.174 15 S CA 0.025 58.291 58.200 0.109 0.000 0.823 15 S CB 2.293 65.634 63.200 0.235 0.000 1.162 15 S HN 0.545 nan 8.310 nan 0.000 0.487 16 G N 0.578 109.466 108.800 0.147 0.000 2.445 16 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.212 16 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.212 16 G C -1.042 173.955 174.900 0.162 0.000 1.217 16 G CA -0.264 44.925 45.100 0.149 0.000 1.002 16 G HN 0.975 nan 8.290 nan 0.000 0.574 17 Q N 0.356 120.282 119.800 0.211 0.000 2.249 17 Q HA 0.498 4.838 4.340 -0.000 0.000 0.226 17 Q C -0.513 175.655 176.000 0.281 0.000 0.983 17 Q CA -0.691 55.243 55.803 0.218 0.000 0.930 17 Q CB 0.855 29.730 28.738 0.227 0.000 1.193 17 Q HN 0.540 nan 8.270 nan 0.000 0.508 18 D N -0.339 120.152 120.400 0.152 0.000 2.354 18 D HA 0.147 4.787 4.640 -0.000 0.000 0.247 18 D C 0.606 176.829 176.300 -0.128 0.000 1.138 18 D CA 0.020 54.056 54.000 0.060 0.000 0.958 18 D CB 1.332 42.126 40.800 -0.010 0.000 1.144 18 D HN 0.675 nan 8.370 nan 0.000 0.458 19 A N 1.063 123.664 122.820 -0.365 0.000 1.948 19 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 19 A C 2.009 179.212 177.584 -0.636 0.000 1.177 19 A CA 2.413 53.896 52.037 -0.923 0.000 0.636 19 A CB -0.710 17.948 19.000 -0.569 0.000 0.815 19 A HN 0.570 nan 8.150 nan 0.000 0.449 20 S N -0.702 114.799 115.700 -0.331 0.000 2.500 20 S HA -0.127 4.343 4.470 -0.000 0.000 0.239 20 S C 1.400 175.895 174.600 -0.175 0.000 0.989 20 S CA 1.417 59.482 58.200 -0.225 0.000 0.951 20 S CB -0.220 62.900 63.200 -0.134 0.000 0.759 20 S HN 0.737 nan 8.310 nan 0.000 0.523 21 E N 0.109 120.215 120.200 -0.158 0.000 2.207 21 E HA 0.088 4.438 4.350 -0.000 0.000 0.197 21 E C 1.518 178.111 176.600 -0.012 0.000 0.914 21 E CA 0.496 56.864 56.400 -0.052 0.000 0.914 21 E CB -0.267 29.445 29.700 0.020 0.000 0.893 21 E HN 0.768 nan 8.360 nan 0.000 0.479 22 Y N 1.282 121.581 120.300 -0.002 0.000 2.578 22 Y HA 0.293 4.843 4.550 -0.000 0.000 0.297 22 Y C 0.069 175.967 175.900 -0.004 0.000 1.176 22 Y CA 0.053 58.181 58.100 0.047 0.000 1.315 22 Y CB -0.244 38.323 38.460 0.179 0.000 1.031 22 Y HN -0.191 nan 8.280 nan 0.000 0.524 23 L N 1.803 122.764 121.223 -0.437 0.000 2.322 23 L HA 0.343 4.683 4.340 -0.000 0.000 0.281 23 L C 0.351 177.080 176.870 -0.235 0.000 1.014 23 L CA -1.217 53.353 54.840 -0.450 0.000 0.815 23 L CB 1.619 43.194 42.059 -0.806 0.000 1.247 23 L HN 0.238 nan 8.230 nan 0.000 0.421 24 S N 2.280 117.893 115.700 -0.145 0.000 2.817 24 S HA -0.052 4.418 4.470 -0.000 0.000 0.333 24 S C -1.847 172.691 174.600 -0.103 0.000 1.227 24 S CA -0.722 57.425 58.200 -0.088 0.000 1.027 24 S CB 0.138 63.299 63.200 -0.065 0.000 0.732 24 S HN 0.479 nan 8.310 nan 0.000 0.499 25 P HA -0.043 nan 4.420 nan 0.000 0.214 25 P C 1.883 179.159 177.300 -0.041 0.000 1.163 25 P CA 1.764 64.832 63.100 -0.054 0.000 0.889 25 P CB -0.528 31.154 31.700 -0.029 0.000 0.790 26 G N -0.034 108.750 108.800 -0.026 0.000 2.446 26 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 26 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 26 G C 1.495 176.402 174.900 0.011 0.000 1.168 26 G CA 0.731 45.829 45.100 -0.003 0.000 0.771 26 G HN 0.214 nan 8.290 nan 0.000 0.551 27 L N 0.876 122.078 121.223 -0.035 0.000 2.046 27 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 27 L C 2.991 179.854 176.870 -0.012 0.000 1.077 27 L CA 1.447 56.264 54.840 -0.038 0.000 0.747 27 L CB -0.630 41.348 42.059 -0.135 0.000 0.896 27 L HN 0.104 nan 8.230 nan 0.000 0.432 28 V N -0.403 119.455 119.914 -0.093 0.000 2.287 28 V HA -0.367 3.753 4.120 -0.000 0.000 0.248 28 V C 2.585 178.663 176.094 -0.028 0.000 1.053 28 V CA 2.115 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 -0.751 119.052 119.800 0.004 0.000 2.084 29 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 29 Q C 2.130 178.162 176.000 0.053 0.000 0.978 29 Q CA 2.208 58.022 55.803 0.019 0.000 0.844 29 Q CB -0.234 28.521 28.738 0.029 0.000 0.898 29 Q HN 0.662 nan 8.270 nan 0.000 0.426 30 F N 0.370 120.301 119.950 -0.031 0.000 2.186 30 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 30 F C 1.931 177.723 175.800 -0.014 0.000 1.090 30 F CA 1.364 59.361 58.000 -0.005 0.000 1.307 30 F CB -0.331 38.678 39.000 0.015 0.000 1.019 30 F HN 0.132 nan 8.300 nan 0.000 0.489 31 A N 0.453 123.331 122.820 0.097 0.000 1.969 31 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 31 A C 2.337 179.843 177.584 -0.131 0.000 1.169 31 A CA 1.469 53.502 52.037 -0.006 0.000 0.635 31 A CB -0.783 18.251 19.000 0.056 0.000 0.810 31 A HN 0.489 nan 8.150 nan 0.000 0.445 32 R N -0.577 119.855 120.500 -0.113 0.000 2.115 32 R HA 0.031 4.371 4.340 -0.000 0.000 0.226 32 R C 2.080 178.284 176.300 -0.160 0.000 1.100 32 R CA 1.192 57.223 56.100 -0.116 0.000 0.980 32 R CB -0.244 30.010 30.300 -0.078 0.000 0.875 32 R HN 0.419 nan 8.270 nan 0.000 0.445 33 A N -0.084 122.612 122.820 -0.207 0.000 2.021 33 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 33 A C 1.828 179.183 177.584 -0.382 0.000 1.163 33 A CA 1.260 53.165 52.037 -0.220 0.000 0.676 33 A CB -0.242 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 -2.279 111.916 114.554 -0.598 0.000 3.129 34 T HA 0.087 4.437 4.350 -0.000 0.000 0.251 34 T C 0.970 175.277 174.700 -0.655 0.000 1.117 34 T CA 0.782 62.329 62.100 -0.922 0.000 1.034 34 T CB -0.010 68.297 68.868 -0.935 0.000 0.968 34 T HN 0.341 nan 8.240 nan 0.000 0.526 35 E N 2.418 122.386 120.200 -0.387 0.000 2.453 35 E HA -0.058 4.292 4.350 -0.000 0.000 0.207 35 E C 1.357 177.822 176.600 -0.225 0.000 1.212 35 E CA 0.910 57.164 56.400 -0.243 0.000 0.959 35 E CB -0.804 28.800 29.700 -0.160 0.000 0.957 35 E HN 0.821 nan 8.360 nan 0.000 0.540 36 T N -3.533 110.814 114.554 -0.346 0.000 3.330 36 T HA 0.028 4.378 4.350 -0.000 0.000 0.240 36 T C 1.662 176.315 174.700 -0.079 0.000 0.988 36 T CA 0.360 62.357 62.100 -0.171 0.000 1.253 36 T CB -0.725 68.117 68.868 -0.043 0.000 1.163 36 T HN 0.282 nan 8.240 nan 0.000 0.382 37 Y N 0.552 120.868 120.300 0.027 0.000 2.190 37 Y HA 0.602 5.152 4.550 -0.000 0.000 0.290 37 Y C 0.826 176.833 175.900 0.178 0.000 1.115 37 Y CA -0.920 57.231 58.100 0.086 0.000 1.107 37 Y CB -0.460 38.053 38.460 0.087 0.000 1.033 37 Y HN 0.161 nan 8.280 nan 0.000 0.502 38 F N 1.444 121.312 119.950 -0.136 0.000 2.420 38 F HA 0.541 5.068 4.527 -0.000 0.000 0.342 38 F C -0.168 175.557 175.800 -0.124 0.000 1.113 38 F CA -1.520 56.465 58.000 -0.025 0.000 1.059 38 F CB 1.635 40.722 39.000 0.145 0.000 1.128 38 F HN -0.088 nan 8.300 nan 0.000 0.475 39 S N 5.870 121.403 115.700 -0.280 0.000 2.530 39 S HA 0.511 4.981 4.470 -0.000 0.000 0.322 39 S C 0.277 174.773 174.600 -0.173 0.000 1.085 39 S CA -0.580 57.508 58.200 -0.187 0.000 1.096 39 S CB 0.474 63.576 63.200 -0.164 0.000 0.988 39 S HN 0.718 nan 8.310 nan 0.000 0.466 40 L N 4.424 125.650 121.223 0.004 0.000 2.693 40 L HA 0.251 4.591 4.340 -0.000 0.000 0.235 40 L C 1.753 178.730 176.870 0.178 0.000 1.127 40 L CA -0.168 54.748 54.840 0.127 0.000 0.914 40 L CB -0.169 42.106 42.059 0.361 0.000 1.193 40 L HN 0.512 nan 8.230 nan 0.000 0.502 41 N N 1.706 120.458 118.700 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 0.067 0.000 1.024 41 N CA 1.704 54.810 53.050 0.094 0.000 0.853 41 N CB -0.476 38.018 38.487 0.012 0.000 1.008 41 N HN 0.497 nan 8.380 nan 0.000 0.424 42 N N 1.365 120.054 118.700 -0.018 0.000 2.571 42 N HA -0.086 4.654 4.740 -0.000 0.000 0.189 42 N C 0.510 175.947 175.510 -0.122 0.000 1.154 42 N CA 0.541 53.557 53.050 -0.056 0.000 0.907 42 N CB 0.037 38.480 38.487 -0.073 0.000 0.977 42 N HN 0.158 nan 8.380 nan 0.000 0.449 43 K N -0.201 120.068 120.400 -0.218 0.000 2.367 43 K HA 0.146 4.466 4.320 -0.000 0.000 0.194 43 K C -0.501 175.615 176.600 -0.807 0.000 1.027 43 K CA 0.100 56.053 56.287 -0.557 0.000 1.075 43 K CB 0.268 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 1.106 121.048 119.950 -0.014 0.000 2.536 44 F HA 0.355 4.882 4.527 0.000 0.000 0.322 44 F C 0.394 176.189 175.800 -0.008 0.000 1.144 44 F CA -1.435 56.570 58.000 0.007 0.000 0.924 44 F CB 1.271 40.242 39.000 -0.049 0.000 1.181 44 F HN -0.290 nan 8.300 nan 0.000 0.438 45 R N 2.448 123.045 120.500 0.161 0.000 2.590 45 R HA 0.260 4.600 4.340 -0.000 0.000 0.274 45 R C -0.951 175.400 176.300 0.084 0.000 1.061 45 R CA 0.069 56.221 56.100 0.088 0.000 1.081 45 R CB 0.121 30.467 30.300 0.077 0.000 0.984 45 R HN 0.593 nan 8.270 nan 0.000 0.448 46 N N 6.280 125.013 118.700 0.056 0.000 2.524 46 N HA 0.305 5.045 4.740 -0.000 0.000 0.261 46 N C -2.548 172.987 175.510 0.041 0.000 0.998 46 N CA -1.328 51.752 53.050 0.049 0.000 0.915 46 N CB 1.916 40.413 38.487 0.017 0.000 1.187 46 N HN 0.536 nan 8.380 nan 0.000 0.507 47 P HA 0.121 nan 4.420 nan 0.000 0.272 47 P C -0.546 176.763 177.300 0.014 0.000 1.223 47 P CA -0.092 63.027 63.100 0.032 0.000 0.784 47 P CB 0.770 32.505 31.700 0.057 0.000 0.923 48 T N -1.316 113.229 114.554 -0.014 0.000 2.879 48 T HA 0.541 4.891 4.350 -0.000 0.000 0.290 48 T C -0.527 174.154 174.700 -0.032 0.000 0.993 48 T CA -0.695 61.396 62.100 -0.015 0.000 0.975 48 T CB 0.848 69.705 68.868 -0.019 0.000 0.981 48 T HN 0.158 nan 8.240 nan 0.000 0.439 49 V N 2.105 122.011 119.914 -0.014 0.000 2.540 49 V HA 0.811 4.931 4.120 -0.000 0.000 0.302 49 V C 0.425 176.519 176.094 -0.000 0.000 1.035 49 V CA -1.129 61.162 62.300 -0.016 0.000 0.873 49 V CB 1.593 33.425 31.823 0.014 0.000 0.992 49 V HN 1.275 nan 8.190 nan 0.000 0.428 50 A N 6.375 129.192 122.820 -0.004 0.000 2.327 50 A HA 0.826 5.146 4.320 -0.000 0.000 0.283 50 A C -1.716 175.879 177.584 0.019 0.000 1.127 50 A CA -1.245 50.797 52.037 0.007 0.000 0.810 50 A CB -0.029 18.973 19.000 0.005 0.000 1.066 50 A HN 0.746 nan 8.150 nan 0.000 0.492 51 P HA 0.081 nan 4.420 nan 0.000 0.270 51 P C 0.235 177.545 177.300 0.017 0.000 1.221 51 P CA 0.524 63.611 63.100 -0.022 0.000 0.788 51 P CB 0.349 31.997 31.700 -0.087 0.000 0.904 52 T N -3.298 111.290 114.554 0.056 0.000 3.460 52 T HA 0.242 4.592 4.350 -0.000 0.000 0.304 52 T C 0.078 174.912 174.700 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 0.886 nan 8.240 nan 0.000 0.490 53 H N -1.558 117.539 119.070 0.045 0.000 3.093 53 H HA 0.307 4.863 4.556 -0.000 0.000 0.312 53 H C -1.639 173.719 175.328 0.051 0.000 1.213 53 H CA -0.534 55.539 56.048 0.042 0.000 1.366 53 H CB 0.131 29.915 29.762 0.037 0.000 1.998 53 H HN 0.017 nan 8.280 nan 0.000 0.522 54 D N 1.263 121.714 120.400 0.085 0.000 2.775 54 D HA -0.107 4.533 4.640 -0.000 0.000 0.235 54 D C 0.528 176.845 176.300 0.028 0.000 1.120 54 D CA 1.184 55.214 54.000 0.050 0.000 0.708 54 D CB -1.517 39.304 40.800 0.035 0.000 1.084 54 D HN 0.411 nan 8.370 nan 0.000 0.434 55 V N -1.926 118.029 119.914 0.069 0.000 3.837 55 V HA 0.130 4.250 4.120 -0.000 0.000 0.182 55 V C 0.912 177.131 176.094 0.208 0.000 1.356 55 V CA 1.066 63.450 62.300 0.141 0.000 1.260 55 V CB 0.891 32.775 31.823 0.102 0.000 1.287 55 V HN 0.132 nan 8.190 nan 0.000 0.572 56 T N 0.803 115.413 114.554 0.094 0.000 2.940 56 T HA 0.494 4.843 4.350 -0.000 0.000 0.288 56 T C -0.301 174.389 174.700 -0.016 0.000 1.033 56 T CA -0.017 62.093 62.100 0.016 0.000 1.033 56 T CB 2.012 70.847 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 0.211 174.836 174.700 -0.125 0.000 1.005 57 T CA -0.654 61.346 62.100 -0.167 0.000 1.061 57 T CB 0.426 69.091 68.868 -0.339 0.000 1.007 57 T HN 0.449 nan 8.240 nan 0.000 0.502 58 D N 1.496 121.820 120.400 -0.127 0.000 2.366 58 D HA 0.100 4.740 4.640 -0.000 0.000 0.205 58 D C 1.071 177.330 176.300 -0.069 0.000 1.022 58 D CA 0.209 54.166 54.000 -0.072 0.000 0.868 58 D CB 0.111 40.885 40.800 -0.044 0.000 0.953 58 D HN 0.643 nan 8.370 nan 0.000 0.514 59 R N 0.547 120.984 120.500 -0.106 0.000 2.560 59 R HA 0.353 4.693 4.340 -0.000 0.000 0.270 59 R C 0.349 176.630 176.300 -0.033 0.000 1.074 59 R CA -0.477 55.590 56.100 -0.055 0.000 1.140 59 R CB 0.752 31.031 30.300 -0.035 0.000 1.073 59 R HN -0.214 nan 8.270 nan 0.000 0.527 60 S N 0.839 116.535 115.700 -0.006 0.000 2.552 60 S HA -0.016 4.454 4.470 -0.000 0.000 0.289 60 S C -0.575 174.030 174.600 0.008 0.000 1.304 60 S CA 0.020 58.219 58.200 -0.002 0.000 1.063 60 S CB 0.194 63.395 63.200 0.000 0.000 0.848 60 S HN 0.618 nan 8.310 nan 0.000 0.499 61 Q N 2.901 122.699 119.800 -0.002 0.000 2.403 61 Q HA 0.289 4.629 4.340 -0.000 0.000 0.267 61 Q C -1.434 174.556 176.000 -0.016 0.000 0.991 61 Q CA -0.671 55.130 55.803 -0.004 0.000 0.906 61 Q CB 1.208 29.961 28.738 0.025 0.000 1.422 61 Q HN 0.777 nan 8.270 nan 0.000 0.400 62 R N 2.855 123.334 120.500 -0.036 0.000 2.390 62 R HA 0.268 4.608 4.340 -0.000 0.000 0.291 62 R C 0.834 177.146 176.300 0.020 0.000 1.070 62 R CA -0.067 56.022 56.100 -0.019 0.000 1.014 62 R CB 0.799 31.075 30.300 -0.041 0.000 1.007 62 R HN 0.632 nan 8.270 nan 0.000 0.466 63 L N 1.012 122.272 121.223 0.062 0.000 2.162 63 L HA 0.009 4.349 4.340 -0.000 0.000 0.205 63 L C 0.240 177.240 176.870 0.216 0.000 1.086 63 L CA 1.212 56.126 54.840 0.122 0.000 0.778 63 L CB 0.426 42.532 42.059 0.078 0.000 0.928 63 L HN 0.623 nan 8.230 nan 0.000 0.446 64 T N 0.653 115.312 114.554 0.175 0.000 2.841 64 T HA 0.479 4.829 4.350 -0.000 0.000 0.285 64 T C -0.497 174.288 174.700 0.142 0.000 0.991 64 T CA -0.395 61.837 62.100 0.220 0.000 0.966 64 T CB 1.950 70.948 68.868 0.217 0.000 0.962 64 T HN -0.106 nan 8.240 nan 0.000 0.438 65 L N 2.742 124.048 121.223 0.139 0.000 2.331 65 L HA 0.671 5.011 4.340 -0.000 0.000 0.275 65 L C 0.285 176.919 176.870 -0.393 0.000 1.022 65 L CA -1.041 53.707 54.840 -0.153 0.000 0.812 65 L CB 1.857 43.800 42.059 -0.194 0.000 1.257 65 L HN 0.379 nan 8.230 nan 0.000 0.435 66 R N 1.719 121.829 120.500 -0.650 0.000 2.480 66 R HA 0.574 4.914 4.340 -0.000 0.000 0.306 66 R C -1.721 174.131 176.300 -0.747 0.000 0.958 66 R CA -0.458 55.163 56.100 -0.799 0.000 0.861 66 R CB 1.228 31.121 30.300 -0.679 0.000 1.171 66 R HN 0.334 nan 8.270 nan 0.000 0.445 67 F N 4.498 124.334 119.950 -0.190 0.000 2.469 67 F HA 0.480 5.007 4.527 -0.000 0.000 0.332 67 F C 0.280 176.190 175.800 0.183 0.000 1.103 67 F CA -0.991 57.031 58.000 0.036 0.000 0.979 67 F CB 1.373 40.445 39.000 0.120 0.000 1.137 67 F HN 0.151 nan 8.300 nan 0.000 0.463 68 I N 3.220 124.016 120.570 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 -2.980 58.496 61.300 0.292 0.000 1.204 68 I CB 1.296 39.375 38.000 0.131 0.000 1.362 68 I HN 0.265 nan 8.210 nan 0.000 0.471 69 P HA 0.024 nan 4.420 nan 0.000 0.268 69 P C 0.746 177.932 177.300 -0.190 0.000 1.204 69 P CA 0.156 62.989 63.100 -0.445 0.000 0.768 69 P CB 0.975 32.415 31.700 -0.434 0.000 0.842 70 V N 1.731 121.531 119.914 -0.190 0.000 3.052 70 V HA 0.046 4.166 4.120 -0.000 0.000 0.254 70 V C 0.140 176.167 176.094 -0.112 0.000 1.100 70 V CA 1.434 63.685 62.300 -0.083 0.000 1.112 70 V CB -0.390 31.416 31.823 -0.029 0.000 0.738 70 V HN 0.609 nan 8.190 nan 0.000 0.469 71 D N -0.711 119.581 120.400 -0.181 0.000 2.886 71 D HA 0.444 5.084 4.640 -0.000 0.000 0.216 71 D C -0.783 175.377 176.300 -0.234 0.000 1.256 71 D CA -0.441 53.458 54.000 -0.169 0.000 0.844 71 D CB 1.409 42.127 40.800 -0.136 0.000 1.669 71 D HN 0.182 nan 8.370 nan 0.000 0.513 72 R N 2.208 122.576 120.500 -0.221 0.000 2.686 72 R HA 0.575 4.915 4.340 -0.000 0.000 0.283 72 R C -0.874 175.231 176.300 -0.325 0.000 0.978 72 R CA -0.872 55.044 56.100 -0.307 0.000 0.897 72 R CB 2.223 32.369 30.300 -0.257 0.000 1.192 72 R HN 0.340 nan 8.270 nan 0.000 0.457 73 E N 1.623 121.548 120.200 -0.459 0.000 2.580 73 E HA 0.062 4.412 4.350 -0.000 0.000 0.248 73 E C -1.618 174.708 176.600 -0.457 0.000 1.018 73 E CA -0.482 55.701 56.400 -0.362 0.000 0.775 73 E CB 1.497 31.043 29.700 -0.256 0.000 1.378 73 E HN 0.349 nan 8.360 nan 0.000 0.401 74 D N 2.203 122.374 120.400 -0.382 0.000 2.336 74 D HA 0.126 4.766 4.640 -0.000 0.000 0.249 74 D C -0.494 175.771 176.300 -0.059 0.000 1.213 74 D CA 0.474 54.392 54.000 -0.136 0.000 0.870 74 D CB 0.831 41.730 40.800 0.166 0.000 1.076 74 D HN 0.102 nan 8.370 nan 0.000 0.483 75 T N 1.988 116.507 114.554 -0.058 0.000 2.919 75 T HA 0.544 4.894 4.350 -0.000 0.000 0.282 75 T C 1.449 176.066 174.700 -0.139 0.000 1.020 75 T CA -0.066 61.951 62.100 -0.139 0.000 0.994 75 T CB 1.408 70.129 68.868 -0.245 0.000 1.180 75 T HN 0.334 nan 8.240 nan 0.000 0.566 76 A N 0.526 123.203 122.820 -0.238 0.000 1.896 76 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 76 A C 1.500 179.014 177.584 -0.117 0.000 1.206 76 A CA 2.477 54.398 52.037 -0.193 0.000 0.647 76 A CB -0.946 17.923 19.000 -0.220 0.000 0.828 76 A HN 0.956 nan 8.150 nan 0.000 0.455 77 Y N -2.113 118.186 120.300 -0.001 0.000 2.563 77 Y HA 0.522 5.072 4.550 -0.000 0.000 0.250 77 Y C 0.293 176.336 175.900 0.237 0.000 1.126 77 Y CA -0.554 57.586 58.100 0.067 0.000 1.231 77 Y CB -0.545 37.892 38.460 -0.038 0.000 1.288 77 Y HN 0.360 nan 8.280 nan 0.000 0.537 78 S N -0.879 114.908 115.700 0.144 0.000 2.618 78 S HA 0.640 5.110 4.470 -0.000 0.000 0.277 78 S C -1.935 172.858 174.600 0.322 0.000 1.138 78 S CA -0.705 57.719 58.200 0.373 0.000 0.844 78 S CB 2.295 65.723 63.200 0.379 0.000 1.127 78 S HN 0.243 nan 8.310 nan 0.000 0.474 79 Y N 0.660 121.133 120.300 0.290 0.000 2.391 79 Y HA 0.679 5.229 4.550 -0.000 0.000 0.341 79 Y C -0.566 175.446 175.900 0.187 0.000 0.965 79 Y CA -0.524 57.705 58.100 0.214 0.000 1.067 79 Y CB 1.790 40.412 38.460 0.269 0.000 1.199 79 Y HN 0.960 nan 8.280 nan 0.000 0.450 80 K N 4.136 124.417 120.400 -0.198 0.000 2.345 80 K HA 0.889 5.209 4.320 -0.000 0.000 0.255 80 K C -1.820 174.647 176.600 -0.222 0.000 0.934 80 K CA -0.681 55.537 56.287 -0.116 0.000 0.801 80 K CB 1.240 33.638 32.500 -0.169 0.000 1.137 80 K HN 0.696 nan 8.250 nan 0.000 0.424 81 A N 4.283 127.063 122.820 -0.066 0.000 2.356 81 A HA 0.577 4.897 4.320 -0.000 0.000 0.310 81 A C -1.234 176.199 177.584 -0.252 0.000 1.075 81 A CA -0.805 51.105 52.037 -0.211 0.000 0.746 81 A CB 1.261 20.191 19.000 -0.117 0.000 1.221 81 A HN 0.802 nan 8.150 nan 0.000 0.443 82 R N 1.648 121.898 120.500 -0.417 0.000 2.562 82 R HA 0.737 5.077 4.340 -0.000 0.000 0.298 82 R C -1.736 174.308 176.300 -0.427 0.000 0.961 82 R CA -0.335 55.617 56.100 -0.246 0.000 0.881 82 R CB 0.983 31.208 30.300 -0.126 0.000 1.159 82 R HN 0.619 nan 8.270 nan 0.000 0.450 83 F N -0.041 119.974 119.950 0.109 0.000 2.593 83 F HA 0.383 4.910 4.527 -0.000 0.000 0.320 83 F C 0.211 176.067 175.800 0.093 0.000 1.060 83 F CA -0.835 57.236 58.000 0.119 0.000 0.940 83 F CB 2.471 41.566 39.000 0.158 0.000 1.268 83 F HN 0.244 nan 8.300 nan 0.000 0.475 84 T N 3.381 118.083 114.554 0.247 0.000 3.042 84 T HA 0.294 4.644 4.350 -0.000 0.000 0.356 84 T C -0.765 173.907 174.700 -0.048 0.000 1.233 84 T CA -0.321 61.854 62.100 0.125 0.000 1.038 84 T CB 0.084 69.020 68.868 0.114 0.000 1.089 84 T HN 0.351 nan 8.240 nan 0.000 0.531 85 L N 4.418 125.581 121.223 -0.100 0.000 2.385 85 L HA 0.602 4.942 4.340 -0.000 0.000 0.281 85 L C 0.096 176.911 176.870 -0.093 0.000 1.106 85 L CA -0.336 54.256 54.840 -0.413 0.000 0.856 85 L CB -0.652 41.286 42.059 -0.201 0.000 1.186 85 L HN 0.581 nan 8.230 nan 0.000 0.453 86 A N 5.331 128.102 122.820 -0.082 0.000 2.271 86 A HA 0.634 4.954 4.320 -0.000 0.000 0.317 86 A C -0.535 177.233 177.584 0.307 0.000 1.245 86 A CA -0.579 51.565 52.037 0.178 0.000 0.857 86 A CB 0.972 20.101 19.000 0.215 0.000 1.175 86 A HN 0.502 nan 8.150 nan 0.000 0.512 87 V N 4.094 124.191 119.914 0.305 0.000 2.218 87 V HA 0.335 4.455 4.120 -0.000 0.000 0.261 87 V C 1.331 177.536 176.094 0.184 0.000 1.142 87 V CA -0.035 62.478 62.300 0.355 0.000 0.965 87 V CB 0.014 32.082 31.823 0.408 0.000 1.190 87 V HN 1.148 nan 8.190 nan 0.000 0.478 88 G N 3.164 112.007 108.800 0.071 0.000 3.026 88 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.232 88 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.232 88 G C 0.117 175.016 174.900 -0.002 0.000 1.241 88 G CA -0.216 44.882 45.100 -0.004 0.000 0.858 88 G HN 0.612 nan 8.290 nan 0.000 0.592 89 D N 0.353 120.731 120.400 -0.036 0.000 2.352 89 D HA -0.054 4.586 4.640 -0.000 0.000 0.238 89 D C 0.812 177.043 176.300 -0.114 0.000 1.286 89 D CA 0.237 54.207 54.000 -0.050 0.000 0.923 89 D CB 0.232 40.995 40.800 -0.062 0.000 1.146 89 D HN 0.501 nan 8.370 nan 0.000 0.471 90 N N 0.192 118.826 118.700 -0.109 0.000 2.666 90 N HA -0.240 4.500 4.740 -0.000 0.000 0.248 90 N C -0.467 175.019 175.510 -0.041 0.000 1.118 90 N CA 1.117 54.079 53.050 -0.148 0.000 0.722 90 N CB -0.585 37.593 38.487 -0.515 0.000 1.050 90 N HN 0.430 nan 8.380 nan 0.000 0.550 91 R N -0.695 119.832 120.500 0.045 0.000 2.808 91 R HA 0.726 5.066 4.340 -0.000 0.000 0.272 91 R C -0.383 176.048 176.300 0.217 0.000 0.995 91 R CA -0.916 55.281 56.100 0.162 0.000 0.917 91 R CB 2.347 32.725 30.300 0.130 0.000 1.217 91 R HN -0.002 nan 8.270 nan 0.000 0.471 92 V N -0.589 119.496 119.914 0.285 0.000 2.925 92 V HA 0.717 4.837 4.120 -0.000 0.000 0.311 92 V C -1.436 174.773 176.094 0.192 0.000 1.104 92 V CA -1.059 61.361 62.300 0.200 0.000 0.954 92 V CB 2.000 33.894 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 0.029 0.000 2.381 93 L HA 0.687 5.027 4.340 -0.000 0.000 0.274 93 L C -0.700 176.066 176.870 -0.174 0.000 0.988 93 L CA 0.050 54.764 54.840 -0.211 0.000 0.824 93 L CB 1.646 43.478 42.059 -0.378 0.000 1.263 93 L HN 0.940 nan 8.230 nan 0.000 0.410 94 D N 5.322 125.625 120.400 -0.161 0.000 2.347 94 D HA 0.117 4.757 4.640 -0.000 0.000 0.235 94 D C 1.159 177.365 176.300 -0.157 0.000 1.149 94 D CA -0.353 53.581 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 -0.187 0.000 2.260 95 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 95 M C 1.889 178.093 176.300 -0.160 0.000 1.066 95 M CA 0.790 55.955 55.300 -0.225 0.000 1.082 95 M CB -1.182 31.254 32.600 -0.273 0.000 1.388 95 M HN 0.511 nan 8.290 nan 0.000 0.419 96 A N -0.115 122.643 122.820 -0.102 0.000 2.178 96 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 96 A C 2.109 179.715 177.584 0.036 0.000 1.157 96 A CA 1.700 53.712 52.037 -0.041 0.000 0.689 96 A CB -0.684 18.313 19.000 -0.005 0.000 0.787 96 A HN 0.604 nan 8.150 nan 0.000 0.465 97 S N -0.620 115.089 115.700 0.015 0.000 2.597 97 S HA 0.180 4.650 4.470 -0.000 0.000 0.224 97 S C 0.617 175.261 174.600 0.075 0.000 0.955 97 S CA 0.309 58.567 58.200 0.097 0.000 0.933 97 S CB -0.878 62.353 63.200 0.052 0.000 0.788 97 S HN 0.598 nan 8.310 nan 0.000 0.488 98 T N -0.150 114.397 114.554 -0.012 0.000 2.945 98 T HA 0.751 5.101 4.350 -0.000 0.000 0.286 98 T C -0.746 173.939 174.700 -0.024 0.000 1.025 98 T CA -0.761 61.263 62.100 -0.127 0.000 1.039 98 T CB 1.200 69.935 68.868 -0.222 0.000 1.068 98 T HN 0.695 nan 8.240 nan 0.000 0.497 99 Y N -1.616 118.611 120.300 -0.122 0.000 2.662 99 Y HA 0.631 5.181 4.550 -0.000 0.000 0.334 99 Y C -2.068 173.714 175.900 -0.197 0.000 1.185 99 Y CA -2.602 55.404 58.100 -0.156 0.000 1.074 99 Y CB 0.467 39.050 38.460 0.204 0.000 1.330 99 Y HN 0.646 nan 8.280 nan 0.000 0.458 100 F N 1.788 121.923 119.950 0.309 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 0.276 0.000 1.117 100 F CA -0.241 57.867 58.000 0.179 0.000 1.139 100 F CB 1.105 40.178 39.000 0.122 0.000 1.120 100 F HN 0.593 nan 8.300 nan 0.000 0.493 101 D N 4.805 125.499 120.400 0.489 0.000 2.317 101 D HA 0.474 5.114 4.640 -0.000 0.000 0.234 101 D C -0.762 175.689 176.300 0.253 0.000 1.112 101 D CA -0.057 54.202 54.000 0.433 0.000 0.840 101 D CB 0.700 41.859 40.800 0.599 0.000 1.078 101 D HN 0.309 nan 8.370 nan 0.000 0.486 102 I N 3.745 124.412 120.570 0.161 0.000 2.465 102 I HA 0.474 4.644 4.170 -0.000 0.000 0.291 102 I C -0.007 176.146 176.117 0.060 0.000 1.014 102 I CA -0.921 60.392 61.300 0.023 0.000 1.093 102 I CB 1.831 39.749 38.000 -0.137 0.000 1.267 102 I HN 0.176 nan 8.210 nan 0.000 0.431 103 R N 3.913 124.341 120.500 -0.119 0.000 2.561 103 R HA 0.831 5.171 4.340 -0.000 0.000 0.297 103 R C -0.328 175.700 176.300 -0.454 0.000 0.969 103 R CA -0.747 55.163 56.100 -0.315 0.000 0.879 103 R CB 2.432 32.538 30.300 -0.323 0.000 1.178 103 R HN 0.881 nan 8.270 nan 0.000 0.445 104 G N 0.705 108.916 108.800 -0.982 0.000 2.634 104 G HA2 0.487 4.447 3.960 -0.000 0.000 0.309 104 G HA3 0.487 4.447 3.960 -0.000 0.000 0.309 104 G C -1.704 172.696 174.900 -0.833 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 0.198 119.942 119.914 -0.283 0.000 2.680 105 V HA 0.755 4.875 4.120 -0.000 0.000 0.309 105 V C -0.864 175.380 176.094 0.250 0.000 1.052 105 V CA -0.683 61.607 62.300 -0.017 0.000 0.908 105 V CB 1.571 33.381 31.823 -0.021 0.000 1.001 105 V HN 0.860 nan 8.190 nan 0.000 0.431 106 L N 3.205 124.609 121.223 0.301 0.000 2.386 106 L HA 0.807 5.147 4.340 -0.000 0.000 0.271 106 L C -1.216 175.694 176.870 0.067 0.000 0.993 106 L CA 0.023 54.972 54.840 0.181 0.000 0.819 106 L CB 2.092 44.230 42.059 0.133 0.000 1.294 106 L HN 0.701 nan 8.230 nan 0.000 0.414 107 D N 2.962 123.361 120.400 -0.002 0.000 2.462 107 D HA 0.337 4.977 4.640 -0.000 0.000 0.245 107 D C 0.450 176.653 176.300 -0.162 0.000 1.122 107 D CA -0.367 53.615 54.000 -0.031 0.000 0.864 107 D CB 1.461 42.312 40.800 0.085 0.000 1.098 107 D HN 0.612 nan 8.370 nan 0.000 0.541 108 R N 1.945 122.270 120.500 -0.293 0.000 2.316 108 R HA 0.301 4.641 4.340 -0.000 0.000 0.202 108 R C 1.328 177.499 176.300 -0.214 0.000 1.029 108 R CA 0.624 56.520 56.100 -0.340 0.000 1.018 108 R CB -0.131 29.773 30.300 -0.661 0.000 0.888 108 R HN 0.657 nan 8.270 nan 0.000 0.471 109 G N 0.397 109.084 108.800 -0.189 0.000 2.796 109 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.571 109 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.571 109 G C -2.052 172.763 174.900 -0.140 0.000 1.370 109 G CA -0.400 44.620 45.100 -0.134 0.000 0.856 109 G HN 0.060 nan 8.290 nan 0.000 0.538 110 P HA 0.019 nan 4.420 nan 0.000 0.241 110 P C 1.504 178.655 177.300 -0.248 0.000 1.191 110 P CA 1.965 64.981 63.100 -0.140 0.000 0.771 110 P CB 0.005 31.655 31.700 -0.085 0.000 0.929 111 T N -4.573 109.790 114.554 -0.319 0.000 3.129 111 T HA 0.062 4.412 4.350 -0.000 0.000 0.251 111 T C 0.307 174.629 174.700 -0.629 0.000 1.117 111 T CA -0.525 61.149 62.100 -0.710 0.000 1.034 111 T CB -0.966 67.523 68.868 -0.631 0.000 0.968 111 T HN -0.135 nan 8.240 nan 0.000 0.526 112 F N 2.800 122.472 119.950 -0.463 0.000 2.472 112 F HA 0.508 5.035 4.527 0.000 0.000 0.364 112 F C 0.241 175.798 175.800 -0.405 0.000 1.090 112 F CA -1.271 56.503 58.000 -0.376 0.000 1.188 112 F CB 0.520 39.353 39.000 -0.278 0.000 1.105 112 F HN 0.023 nan 8.300 nan 0.000 0.536 113 K N 9.201 128.984 120.400 -1.028 0.000 2.723 113 K HA 0.328 4.648 4.320 -0.000 0.000 0.229 113 K C -2.621 173.229 176.600 -1.250 0.000 1.022 113 K CA -1.698 53.925 56.287 -1.107 0.000 1.045 113 K CB 1.348 33.369 32.500 -0.798 0.000 1.227 113 K HN 0.299 nan 8.250 nan 0.000 0.516 114 P HA 0.001 nan 4.420 nan 0.000 0.269 114 P C -1.426 175.658 177.300 -0.360 0.000 1.601 114 P CA 0.200 62.775 63.100 -0.875 0.000 0.831 114 P CB -0.705 30.792 31.700 -0.338 0.000 1.688 115 Y N -5.026 114.970 120.300 -0.507 0.000 2.717 115 Y HA 0.495 5.045 4.550 -0.000 0.000 0.345 115 Y C -1.178 174.605 175.900 -0.194 0.000 1.187 115 Y CA -1.337 56.637 58.100 -0.210 0.000 1.128 115 Y CB -0.212 38.168 38.460 -0.134 0.000 1.360 115 Y HN -0.320 nan 8.280 nan 0.000 0.467 116 S N 1.229 117.004 115.700 0.125 0.000 2.617 116 S HA 0.806 5.276 4.470 -0.000 0.000 0.283 116 S C 0.420 175.125 174.600 0.175 0.000 1.189 116 S CA 0.116 58.340 58.200 0.039 0.000 1.036 116 S CB 1.006 64.217 63.200 0.018 0.000 1.014 116 S HN 1.871 nan 8.310 nan 0.000 0.522 117 G N 1.118 109.991 108.800 0.123 0.000 2.568 117 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.222 117 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.222 117 G C -0.267 174.733 174.900 0.167 0.000 1.321 117 G CA -0.128 45.072 45.100 0.167 0.000 0.893 117 G HN 0.967 nan 8.290 nan 0.000 0.569 118 T N -1.392 113.189 114.554 0.046 0.000 2.916 118 T HA 0.758 5.108 4.350 -0.000 0.000 0.292 118 T C 1.084 175.632 174.700 -0.253 0.000 1.055 118 T CA 0.754 62.803 62.100 -0.086 0.000 1.009 118 T CB 1.532 70.181 68.868 -0.365 0.000 1.118 118 T HN 2.065 nan 8.240 nan 0.000 0.497 119 A N 2.119 124.650 122.820 -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 -0.865 0.000 1.179 119 A CA 0.233 51.792 52.037 -0.797 0.000 0.827 119 A CB -0.189 18.152 19.000 -1.098 0.000 0.856 119 A HN 0.751 nan 8.150 nan 0.000 0.488 120 Y N 0.069 120.284 120.300 -0.142 0.000 2.326 120 Y HA 0.365 4.915 4.550 0.000 0.000 0.331 120 Y C 0.091 175.909 175.900 -0.136 0.000 0.962 120 Y CA -1.183 56.861 58.100 -0.093 0.000 1.167 120 Y CB 0.819 39.266 38.460 -0.022 0.000 1.148 120 Y HN 0.248 nan 8.280 nan 0.000 0.463 121 N N 1.093 119.838 118.700 0.075 0.000 2.725 121 N HA -0.232 4.508 4.740 -0.000 0.000 0.251 121 N C 0.856 176.404 175.510 0.063 0.000 1.031 121 N CA 0.772 53.867 53.050 0.076 0.000 0.720 121 N CB -0.742 37.813 38.487 0.113 0.000 0.930 121 N HN 0.926 nan 8.380 nan 0.000 0.543 122 A N -0.236 122.593 122.820 0.017 0.000 2.019 122 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 122 A C 2.161 179.908 177.584 0.273 0.000 1.164 122 A CA 0.949 53.060 52.037 0.125 0.000 0.644 122 A CB -0.074 18.957 19.000 0.051 0.000 0.805 122 A HN 0.438 nan 8.150 nan 0.000 0.449 123 L N -0.745 120.580 121.223 0.170 0.000 2.554 123 L HA 0.146 4.486 4.340 -0.000 0.000 0.226 123 L C 1.344 178.302 176.870 0.147 0.000 1.137 123 L CA -0.021 54.903 54.840 0.140 0.000 0.863 123 L CB -0.413 41.702 42.059 0.094 0.000 0.985 123 L HN 0.367 nan 8.230 nan 0.000 0.451 124 A N 0.794 123.735 122.820 0.201 0.000 2.401 124 A HA 0.398 4.718 4.320 -0.000 0.000 0.259 124 A C -2.169 175.496 177.584 0.135 0.000 1.103 124 A CA -1.152 50.989 52.037 0.173 0.000 0.789 124 A CB -0.349 18.771 19.000 0.200 0.000 1.035 124 A HN -0.052 nan 8.150 nan 0.000 0.491 125 P HA 0.010 nan 4.420 nan 0.000 0.262 125 P C 0.289 177.567 177.300 -0.037 0.000 1.182 125 P CA 0.261 63.363 63.100 0.002 0.000 0.761 125 P CB 0.407 32.119 31.700 0.021 0.000 0.795 126 K N 1.989 122.283 120.400 -0.176 0.000 2.589 126 K HA -0.070 4.250 4.320 -0.000 0.000 0.195 126 K C 1.624 178.168 176.600 -0.094 0.000 1.040 126 K CA 1.256 57.385 56.287 -0.263 0.000 0.950 126 K CB -0.339 31.904 32.500 -0.429 0.000 0.781 126 K HN 0.618 nan 8.250 nan 0.000 0.486 127 G N 0.208 108.982 108.800 -0.043 0.000 2.944 127 G HA2 0.196 4.156 3.960 -0.000 0.000 0.223 127 G HA3 0.196 4.156 3.960 -0.000 0.000 0.223 127 G C 0.132 175.044 174.900 0.020 0.000 1.071 127 G CA -0.115 44.978 45.100 -0.011 0.000 0.806 127 G HN 0.236 nan 8.290 nan 0.000 0.538 128 A N 2.091 124.939 122.820 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 -0.661 51.429 52.037 0.087 0.000 0.761 128 A CB 0.369 19.433 19.000 0.106 0.000 1.004 128 A HN 0.225 nan 8.150 nan 0.000 0.499 129 P HA 0.239 nan 4.420 nan 0.000 0.283 129 P C -0.797 176.607 177.300 0.174 0.000 1.278 129 P CA -0.877 62.297 63.100 0.124 0.000 0.834 129 P CB 0.988 32.735 31.700 0.078 0.000 1.150 130 N N 0.597 119.384 118.700 0.145 0.000 2.513 130 N HA 0.246 4.986 4.740 -0.000 0.000 0.274 130 N C -2.222 173.392 175.510 0.173 0.000 1.189 130 N CA -1.360 51.770 53.050 0.134 0.000 0.975 130 N CB -0.582 37.963 38.487 0.097 0.000 1.157 130 N HN 0.241 nan 8.380 nan 0.000 0.465 131 P HA 0.001 nan 4.420 nan 0.000 0.260 131 P C -0.284 177.117 177.300 0.169 0.000 1.185 131 P CA 0.080 63.252 63.100 0.121 0.000 0.763 131 P CB 0.197 31.919 31.700 0.037 0.000 0.776 132 C N 1.835 121.296 119.300 0.268 0.000 3.307 132 C HA 0.773 5.233 4.460 -0.000 0.000 0.350 132 C C -0.930 174.274 174.990 0.357 0.000 1.549 132 C CA -0.802 58.383 59.018 0.278 0.000 1.396 132 C CB 1.829 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 -0.751 119.662 120.200 0.354 0.000 2.383 133 E HA 0.667 5.017 4.350 -0.000 0.000 0.275 133 E C -1.669 175.186 176.600 0.425 0.000 0.918 133 E CA -0.217 56.356 56.400 0.288 0.000 0.764 133 E CB 2.405 32.171 29.700 0.109 0.000 1.252 133 E HN 0.901 nan 8.360 nan 0.000 0.449 134 W N 0.388 121.752 121.300 0.108 0.000 2.923 134 W HA 0.582 5.242 4.660 0.000 0.000 0.373 134 W C -1.572 175.025 176.519 0.130 0.000 1.205 134 W CA -0.595 56.800 57.345 0.084 0.000 1.180 134 W CB 0.463 29.947 29.460 0.041 0.000 1.477 134 W HN 0.189 nan 8.180 nan 0.000 0.581 166 H N 0.197 118.841 119.070 -0.709 0.000 2.573 166 H HA 0.842 5.398 4.556 0.000 0.000 0.351 166 H C -0.410 174.440 175.328 -0.796 0.000 1.163 166 H CA -0.740 54.800 56.048 -0.846 0.000 1.205 166 H CB 1.449 30.429 29.762 -1.304 0.000 1.605 166 H HN 0.386 nan 8.280 nan 0.000 0.525 167 V N 2.338 122.059 119.914 -0.322 0.000 2.656 167 V HA 0.294 4.414 4.120 -0.000 0.000 0.307 167 V C -1.228 174.920 176.094 0.089 0.000 1.051 167 V CA -0.793 61.435 62.300 -0.120 0.000 0.893 167 V CB 1.751 33.467 31.823 -0.178 0.000 0.999 167 V HN 0.638 nan 8.190 nan 0.000 0.426 168 F N 3.663 123.680 119.950 0.111 0.000 2.577 168 F HA 0.850 5.377 4.527 -0.000 0.000 0.344 168 F C 0.202 176.053 175.800 0.085 0.000 1.145 168 F CA -0.105 57.990 58.000 0.158 0.000 0.996 168 F CB 1.313 40.510 39.000 0.330 0.000 1.248 168 F HN 0.644 nan 8.300 nan 0.000 0.447 169 G N 4.075 112.623 108.800 -0.420 0.000 2.911 169 G HA2 0.525 4.486 3.960 -0.000 0.000 0.299 169 G HA3 0.525 4.486 3.960 -0.000 0.000 0.299 169 G C -2.109 172.577 174.900 -0.356 0.000 1.283 169 G CA -0.769 44.139 45.100 -0.320 0.000 0.805 169 G HN 0.632 nan 8.290 nan 0.000 0.548 170 Q N -1.164 118.522 119.800 -0.190 0.000 2.309 170 Q HA 0.610 4.950 4.340 -0.000 0.000 0.273 170 Q C -1.721 174.247 176.000 -0.054 0.000 1.040 170 Q CA -0.938 54.785 55.803 -0.133 0.000 0.834 170 Q CB 2.144 30.817 28.738 -0.108 0.000 1.345 170 Q HN 1.070 nan 8.270 nan 0.000 0.414 171 A N 4.686 127.488 122.820 -0.030 0.000 2.431 171 A HA 0.510 4.830 4.320 -0.000 0.000 0.318 171 A C -2.252 175.354 177.584 0.037 0.000 1.330 171 A CA -1.211 50.842 52.037 0.026 0.000 0.804 171 A CB 0.763 19.787 19.000 0.039 0.000 1.135 171 A HN 0.732 nan 8.150 nan 0.000 0.483 172 P HA 0.004 nan 4.420 nan 0.000 0.238 172 P C 0.016 177.366 177.300 0.083 0.000 1.183 172 P CA 0.453 63.587 63.100 0.057 0.000 0.813 172 P CB 0.116 31.852 31.700 0.059 0.000 0.944 173 Y N 1.548 121.851 120.300 0.004 0.000 2.335 173 Y HA 0.366 4.916 4.550 -0.000 0.000 0.331 173 Y C 0.288 176.200 175.900 0.020 0.000 1.094 173 Y CA -0.398 57.703 58.100 0.003 0.000 1.253 173 Y CB 0.719 39.171 38.460 -0.013 0.000 1.203 173 Y HN -0.211 nan 8.280 nan 0.000 0.508 174 S N 5.103 120.398 115.700 -0.676 0.000 2.420 174 S HA 0.675 5.145 4.470 -0.000 0.000 0.313 174 S C 0.022 174.256 174.600 -0.609 0.000 1.079 174 S CA -0.218 57.722 58.200 -0.433 0.000 1.104 174 S CB -0.309 62.731 63.200 -0.267 0.000 0.969 174 S HN 1.054 nan 8.310 nan 0.000 0.471 175 G N 3.532 112.210 108.800 -0.204 0.000 2.552 175 G HA2 0.512 4.472 3.960 -0.000 0.000 0.318 175 G HA3 0.512 4.472 3.960 -0.000 0.000 0.318 175 G C 0.822 175.696 174.900 -0.044 0.000 1.240 175 G CA -0.811 44.264 45.100 -0.041 0.000 1.002 175 G HN 0.697 nan 8.290 nan 0.000 0.493 176 I N -0.545 119.979 120.570 -0.077 0.000 2.193 176 I HA 0.008 4.178 4.170 -0.000 0.000 0.240 176 I C 0.981 176.850 176.117 -0.412 0.000 1.084 176 I CA 1.068 62.265 61.300 -0.171 0.000 1.365 176 I CB 0.062 37.976 38.000 -0.144 0.000 1.064 176 I HN 0.458 nan 8.210 nan 0.000 0.410 177 N N -0.977 117.509 118.700 -0.356 0.000 2.825 177 N HA 0.484 5.224 4.740 -0.000 0.000 0.253 177 N C -1.569 173.934 175.510 -0.011 0.000 1.426 177 N CA -0.591 52.150 53.050 -0.515 0.000 0.851 177 N CB 1.676 39.974 38.487 -0.314 0.000 1.470 177 N HN -0.058 nan 8.380 nan 0.000 0.517 178 I N 1.251 121.955 120.570 0.224 0.000 2.447 178 I HA 0.421 4.591 4.170 -0.000 0.000 0.287 178 I C -0.160 176.125 176.117 0.281 0.000 1.023 178 I CA -0.515 60.986 61.300 0.334 0.000 1.083 178 I CB 1.820 40.060 38.000 0.400 0.000 1.245 178 I HN 0.712 nan 8.210 nan 0.000 0.434 179 T N 1.103 115.847 114.554 0.316 0.000 2.742 179 T HA 0.360 4.710 4.350 -0.000 0.000 0.282 179 T C 0.628 175.390 174.700 0.104 0.000 1.025 179 T CA -0.727 61.473 62.100 0.166 0.000 1.020 179 T CB 1.748 70.729 68.868 0.189 0.000 1.317 179 T HN 0.384 nan 8.240 nan 0.000 0.538 180 K N 0.380 120.732 120.400 -0.079 0.000 2.442 180 K HA 0.003 4.323 4.320 -0.000 0.000 0.198 180 K C 1.676 178.285 176.600 0.016 0.000 1.044 180 K CA 1.235 57.447 56.287 -0.125 0.000 0.948 180 K CB -0.379 32.016 32.500 -0.175 0.000 0.762 180 K HN 0.563 nan 8.250 nan 0.000 0.472 181 E N -0.287 119.832 120.200 -0.135 0.000 2.435 181 E HA 0.101 4.450 4.350 -0.000 0.000 0.195 181 E C 0.888 177.353 176.600 -0.224 0.000 1.029 181 E CA 0.764 56.892 56.400 -0.453 0.000 0.865 181 E CB 0.231 29.066 29.700 -1.442 0.000 0.833 181 E HN 0.425 nan 8.360 nan 0.000 0.510 182 G N 1.678 110.563 108.800 0.142 0.000 2.384 182 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.204 182 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.204 182 G C -0.284 174.888 174.900 0.452 0.000 1.237 182 G CA -0.422 44.835 45.100 0.261 0.000 1.060 182 G HN 0.216 nan 8.290 nan 0.000 0.514 183 I N -1.407 119.423 120.570 0.433 0.000 2.474 183 I HA 0.655 4.825 4.170 -0.000 0.000 0.287 183 I C 0.269 176.552 176.117 0.276 0.000 1.048 183 I CA -0.509 61.003 61.300 0.353 0.000 1.383 183 I CB 1.399 39.593 38.000 0.323 0.000 1.412 183 I HN 0.686 nan 8.210 nan 0.000 0.531 184 Q N 6.169 126.025 119.800 0.093 0.000 2.296 184 Q HA 0.344 4.684 4.340 -0.000 0.000 0.257 184 Q C 0.539 176.517 176.000 -0.038 0.000 0.942 184 Q CA -0.553 55.137 55.803 -0.188 0.000 0.939 184 Q CB 1.437 29.970 28.738 -0.343 0.000 1.198 184 Q HN 0.934 nan 8.270 nan 0.000 0.429 185 I N 0.559 121.103 120.570 -0.043 0.000 3.793 185 I HA 0.473 4.643 4.170 -0.000 0.000 0.315 185 I C 0.632 176.750 176.117 0.003 0.000 1.275 185 I CA 0.213 61.543 61.300 0.051 0.000 1.214 185 I CB 0.240 38.234 38.000 -0.010 0.000 1.018 185 I HN 0.651 nan 8.210 nan 0.000 0.439 186 G N 1.370 110.124 108.800 -0.077 0.000 2.398 186 G HA2 0.357 4.317 3.960 -0.000 0.000 0.251 186 G HA3 0.357 4.317 3.960 -0.000 0.000 0.251 186 G C -1.156 173.677 174.900 -0.112 0.000 1.277 186 G CA 0.045 45.102 45.100 -0.073 0.000 0.927 186 G HN 0.723 nan 8.290 nan 0.000 0.477 187 V N -3.422 116.449 119.914 -0.072 0.000 2.766 187 V HA 0.593 4.713 4.120 -0.000 0.000 0.286 187 V C -0.647 175.427 176.094 -0.032 0.000 1.237 187 V CA -0.815 61.446 62.300 -0.066 0.000 0.934 187 V CB 1.289 33.070 31.823 -0.071 0.000 1.068 187 V HN 0.803 nan 8.190 nan 0.000 0.451 188 E N 3.826 124.015 120.200 -0.019 0.000 1.833 188 E HA 0.397 4.747 4.350 -0.000 0.000 0.258 188 E C 1.329 177.927 176.600 -0.003 0.000 1.257 188 E CA 0.994 57.391 56.400 -0.005 0.000 1.003 188 E CB 0.377 30.080 29.700 0.005 0.000 1.068 188 E HN 1.472 nan 8.360 nan 0.000 0.422 189 G N 3.838 112.634 108.800 -0.006 0.000 3.377 189 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.304 189 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.304 189 G C 0.880 175.776 174.900 -0.007 0.000 1.366 189 G CA 0.418 45.516 45.100 -0.004 0.000 1.020 189 G HN 0.548 nan 8.290 nan 0.000 0.621 190 Q N 0.328 120.126 119.800 -0.003 0.000 2.378 190 Q HA 0.244 4.584 4.340 -0.000 0.000 0.229 190 Q C 0.718 176.716 176.000 -0.003 0.000 0.882 190 Q CA 0.800 56.601 55.803 -0.004 0.000 0.936 190 Q CB 0.783 29.522 28.738 0.001 0.000 1.092 190 Q HN 0.545 nan 8.270 nan 0.000 0.535 191 T N 2.545 117.100 114.554 0.000 0.000 2.899 191 T HA 0.313 4.663 4.350 -0.000 0.000 0.284 191 T C -2.541 172.148 174.700 -0.018 0.000 1.004 191 T CA -1.389 60.716 62.100 0.007 0.000 1.043 191 T CB 1.240 70.122 68.868 0.024 0.000 1.013 191 T HN -0.143 nan 8.240 nan 0.000 0.518 192 P HA 0.390 nan 4.420 nan 0.000 0.301 192 P C -0.856 176.334 177.300 -0.184 0.000 1.348 192 P CA -0.864 62.152 63.100 -0.140 0.000 0.826 192 P CB 0.723 32.314 31.700 -0.182 0.000 0.945 193 K N 3.359 123.643 120.400 -0.192 0.000 2.234 193 K HA 0.348 4.668 4.320 -0.000 0.000 0.282 193 K C -0.318 176.136 176.600 -0.243 0.000 1.039 193 K CA -0.288 55.928 56.287 -0.118 0.000 0.928 193 K CB 0.178 32.644 32.500 -0.056 0.000 1.039 193 K HN 0.425 nan 8.250 nan 0.000 0.470 194 Y N -0.085 120.218 120.300 0.006 0.000 2.487 194 Y HA 0.454 5.004 4.550 -0.000 0.000 0.337 194 Y C 0.655 176.528 175.900 -0.045 0.000 1.076 194 Y CA -1.105 56.999 58.100 0.007 0.000 1.115 194 Y CB 1.547 40.027 38.460 0.034 0.000 1.235 194 Y HN 0.620 nan 8.280 nan 0.000 0.468 195 A N 1.504 124.377 122.820 0.088 0.000 2.498 195 A HA 0.050 4.370 4.320 -0.000 0.000 0.239 195 A C -0.141 177.348 177.584 -0.157 0.000 1.068 195 A CA -0.287 51.661 52.037 -0.149 0.000 0.766 195 A CB -0.063 18.759 19.000 -0.295 0.000 1.003 195 A HN 0.708 nan 8.150 nan 0.000 0.497 196 D N 2.058 122.256 120.400 -0.336 0.000 2.352 196 D HA 0.097 4.737 4.640 -0.000 0.000 0.245 196 D C 1.021 177.136 176.300 -0.308 0.000 1.224 196 D CA -0.007 53.839 54.000 -0.257 0.000 0.879 196 D CB 0.485 41.129 40.800 -0.260 0.000 1.057 196 D HN 0.550 nan 8.370 nan 0.000 0.491 197 K N 1.295 121.639 120.400 -0.093 0.000 2.127 197 K HA -0.239 4.081 4.320 -0.000 0.000 0.212 197 K C 1.903 178.481 176.600 -0.037 0.000 1.050 197 K CA 2.091 58.380 56.287 0.004 0.000 0.929 197 K CB -0.256 32.336 32.500 0.154 0.000 0.715 197 K HN 0.566 nan 8.250 nan 0.000 0.457 198 T N -1.079 113.486 114.554 0.017 0.000 2.881 198 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 198 T C 1.488 176.286 174.700 0.162 0.000 1.068 198 T CA 1.363 63.524 62.100 0.102 0.000 1.131 198 T CB -0.309 68.660 68.868 0.168 0.000 0.871 198 T HN 0.467 nan 8.240 nan 0.000 0.479 199 F N -0.904 118.989 119.950 -0.096 0.000 3.031 199 F HA 0.529 5.056 4.527 0.000 0.000 0.365 199 F C -0.119 175.574 175.800 -0.179 0.000 1.128 199 F CA -1.202 56.731 58.000 -0.112 0.000 1.068 199 F CB 0.339 39.292 39.000 -0.080 0.000 1.280 199 F HN 0.015 nan 8.300 nan 0.000 0.529 200 Q N 3.850 123.163 119.800 -0.812 0.000 2.342 200 Q HA 0.470 4.810 4.340 -0.000 0.000 0.267 200 Q C -2.665 172.818 176.000 -0.862 0.000 1.038 200 Q CA -2.344 52.973 55.803 -0.811 0.000 0.832 200 Q CB 2.522 30.684 28.738 -0.960 0.000 1.323 200 Q HN -0.029 nan 8.270 nan 0.000 0.448 201 P HA 0.028 nan 4.420 nan 0.000 0.274 201 P C -0.971 176.140 177.300 -0.316 0.000 1.256 201 P CA -0.233 62.534 63.100 -0.556 0.000 0.795 201 P CB 0.857 32.277 31.700 -0.468 0.000 1.038 202 E N 1.347 121.421 120.200 -0.210 0.000 2.174 202 E HA 0.176 4.526 4.350 -0.000 0.000 0.282 202 E C -1.718 174.872 176.600 -0.017 0.000 0.992 202 E CA -1.791 54.575 56.400 -0.057 0.000 0.803 202 E CB 0.590 30.299 29.700 0.016 0.000 1.090 202 E HN 0.308 nan 8.360 nan 0.000 0.396 203 P HA -0.277 nan 4.420 nan 0.000 0.217 203 P C 0.860 178.185 177.300 0.042 0.000 1.148 203 P CA 1.506 64.622 63.100 0.025 0.000 0.834 203 P CB 0.164 31.881 31.700 0.029 0.000 0.783 204 Q N -1.011 118.815 119.800 0.044 0.000 2.224 204 Q HA -0.017 4.323 4.340 -0.000 0.000 0.203 204 Q C 0.724 176.760 176.000 0.060 0.000 0.970 204 Q CA 0.677 56.511 55.803 0.051 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 0.815 121.427 120.570 0.071 0.000 2.428 205 I HA 0.536 4.706 4.170 -0.000 0.000 0.296 205 I C 0.361 176.552 176.117 0.125 0.000 0.985 205 I CA -0.565 60.797 61.300 0.104 0.000 1.260 205 I CB 1.619 39.704 38.000 0.141 0.000 1.389 205 I HN 0.125 nan 8.210 nan 0.000 0.484 206 G N 3.922 112.778 108.800 0.094 0.000 2.663 206 G HA2 0.337 4.297 3.960 -0.000 0.000 0.299 206 G HA3 0.337 4.297 3.960 -0.000 0.000 0.299 206 G C -1.347 173.557 174.900 0.007 0.000 1.372 206 G CA -0.652 44.482 45.100 0.057 0.000 0.781 206 G HN 0.507 nan 8.290 nan 0.000 0.491 207 E N 0.010 120.192 120.200 -0.031 0.000 2.415 207 E HA 0.173 4.523 4.350 -0.000 0.000 0.262 207 E C 0.664 177.229 176.600 -0.058 0.000 1.038 207 E CA 0.132 56.490 56.400 -0.069 0.000 0.921 207 E CB 1.294 30.938 29.700 -0.093 0.000 0.950 207 E HN 0.289 nan 8.360 nan 0.000 0.438 208 S N 1.721 117.375 115.700 -0.077 0.000 2.406 208 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 208 S C 0.355 174.898 174.600 -0.095 0.000 1.030 208 S CA 0.497 58.661 58.200 -0.061 0.000 0.958 208 S CB 0.152 63.323 63.200 -0.049 0.000 0.811 208 S HN 0.418 nan 8.310 nan 0.000 0.489 209 Q N 1.383 121.048 119.800 -0.225 0.000 2.317 209 Q HA 0.174 4.514 4.340 -0.000 0.000 0.229 209 Q C 0.963 176.741 176.000 -0.370 0.000 0.984 209 Q CA -0.485 55.072 55.803 -0.410 0.000 0.911 209 Q CB 0.028 28.224 28.738 -0.904 0.000 1.217 209 Q HN 0.565 nan 8.270 nan 0.000 0.501 210 W N 0.346 121.454 121.300 -0.320 0.000 2.576 210 W HA 0.062 4.722 4.660 0.000 0.000 0.270 210 W C -0.278 176.176 176.519 -0.109 0.000 1.255 210 W CA -0.323 56.931 57.345 -0.151 0.000 1.314 210 W CB -0.565 28.873 29.460 -0.037 0.000 1.101 210 W HN 0.636 nan 8.180 nan 0.000 0.595 211 Y N 1.559 121.365 120.300 -0.823 0.000 2.304 211 Y HA 0.507 5.057 4.550 0.000 0.000 0.327 211 Y C 0.174 175.892 175.900 -0.303 0.000 1.209 211 Y CA -2.176 55.523 58.100 -0.668 0.000 1.299 211 Y CB 0.030 37.811 38.460 -1.131 0.000 1.249 211 Y HN -0.084 nan 8.280 nan 0.000 0.519 212 E N 1.495 121.728 120.200 0.056 0.000 2.351 212 E HA 0.026 4.376 4.350 -0.000 0.000 0.266 212 E C -0.002 176.650 176.600 0.087 0.000 1.031 212 E CA 0.170 56.594 56.400 0.039 0.000 0.911 212 E CB 0.798 30.518 29.700 0.035 0.000 0.986 212 E HN 0.836 nan 8.360 nan 0.000 0.446 213 T N 3.187 117.774 114.554 0.054 0.000 3.069 213 T HA -0.009 4.341 4.350 -0.000 0.000 0.252 213 T C -0.621 174.087 174.700 0.014 0.000 1.053 213 T CA -0.026 62.112 62.100 0.064 0.000 0.964 213 T CB 0.016 68.918 68.868 0.057 0.000 1.005 213 T HN 0.607 nan 8.240 nan 0.000 0.532 214 E N 1.150 121.351 120.200 0.001 0.000 5.234 214 E HA -0.123 4.227 4.350 -0.000 0.000 0.170 214 E C -0.880 175.713 176.600 -0.012 0.000 1.556 214 E CA -0.052 56.343 56.400 -0.007 0.000 1.185 214 E CB -1.089 28.607 29.700 -0.008 0.000 1.023 214 E HN 0.519 nan 8.360 nan 0.000 0.337 215 I N 3.032 123.592 120.570 -0.018 0.000 2.416 215 I HA 0.050 4.220 4.170 -0.000 0.000 0.288 215 I C 1.536 177.638 176.117 -0.025 0.000 1.051 215 I CA -0.270 61.020 61.300 -0.017 0.000 1.375 215 I CB 0.597 38.581 38.000 -0.026 0.000 1.407 215 I HN 0.416 nan 8.210 nan 0.000 0.516 216 N N 3.503 122.192 118.700 -0.019 0.000 2.402 216 N HA 0.008 4.748 4.740 -0.000 0.000 0.174 216 N C -0.130 175.163 175.510 -0.362 0.000 1.027 216 N CA 0.768 53.724 53.050 -0.157 0.000 0.891 216 N CB 0.247 38.652 38.487 -0.136 0.000 1.016 216 N HN 0.566 nan 8.380 nan 0.000 0.439 217 H N -0.086 118.997 119.070 0.021 0.000 2.736 217 H HA 0.585 5.141 4.556 -0.000 0.000 0.271 217 H C -0.576 174.783 175.328 0.052 0.000 1.184 217 H CA -0.523 55.556 56.048 0.052 0.000 1.378 217 H CB 1.058 30.853 29.762 0.055 0.000 1.428 217 H HN 0.076 nan 8.280 nan 0.000 0.500 218 A N 2.130 125.026 122.820 0.126 0.000 2.311 218 A HA 0.936 5.256 4.320 -0.000 0.000 0.334 218 A C -0.421 177.272 177.584 0.181 0.000 1.139 218 A CA -0.223 51.885 52.037 0.119 0.000 0.830 218 A CB 0.924 19.962 19.000 0.063 0.000 1.234 218 A HN 0.701 nan 8.150 nan 0.000 0.483 219 A N -0.244 122.706 122.820 0.216 0.000 2.527 219 A HA 0.992 5.312 4.320 -0.000 0.000 0.293 219 A C -0.089 177.606 177.584 0.185 0.000 1.117 219 A CA -0.117 52.066 52.037 0.243 0.000 0.723 219 A CB 1.634 20.816 19.000 0.302 0.000 1.313 219 A HN 2.430 nan 8.150 nan 0.000 0.411 220 G N -0.248 108.656 108.800 0.174 0.000 2.495 220 G HA2 0.579 4.539 3.960 -0.000 0.000 0.294 220 G HA3 0.579 4.539 3.960 -0.000 0.000 0.294 220 G C -1.683 173.292 174.900 0.125 0.000 1.397 220 G CA -0.889 44.274 45.100 0.105 0.000 0.790 220 G HN 0.740 nan 8.290 nan 0.000 0.486 221 R N -1.087 119.457 120.500 0.073 0.000 2.711 221 R HA 0.807 5.147 4.340 -0.000 0.000 0.284 221 R C -1.157 175.185 176.300 0.070 0.000 0.968 221 R CA -0.848 55.303 56.100 0.086 0.000 0.924 221 R CB 2.516 32.840 30.300 0.040 0.000 1.162 221 R HN 0.508 nan 8.270 nan 0.000 0.465 222 V N 3.207 123.170 119.914 0.081 0.000 3.159 222 V HA 0.505 4.625 4.120 -0.000 0.000 0.308 222 V C -1.442 174.696 176.094 0.074 0.000 1.190 222 V CA -0.979 61.364 62.300 0.071 0.000 1.037 222 V CB 2.549 34.413 31.823 0.068 0.000 1.060 222 V HN 0.566 nan 8.190 nan 0.000 0.437 223 L N 4.123 125.396 121.223 0.082 0.000 2.282 223 L HA 0.536 4.876 4.340 -0.000 0.000 0.288 223 L C 0.298 177.220 176.870 0.087 0.000 1.033 223 L CA -0.591 54.295 54.840 0.076 0.000 0.807 223 L CB 1.397 43.502 42.059 0.076 0.000 1.209 223 L HN 0.603 nan 8.230 nan 0.000 0.423 224 K N 1.970 122.411 120.400 0.069 0.000 2.336 224 K HA -0.019 4.301 4.320 -0.000 0.000 0.262 224 K C 1.030 177.681 176.600 0.085 0.000 0.992 224 K CA -0.106 56.221 56.287 0.067 0.000 0.927 224 K CB 0.670 33.198 32.500 0.047 0.000 0.956 224 K HN 0.545 nan 8.250 nan 0.000 0.495 225 K N -0.245 120.209 120.400 0.090 0.000 2.442 225 K HA -0.110 4.210 4.320 -0.000 0.000 0.198 225 K C 1.138 177.791 176.600 0.089 0.000 1.044 225 K CA 1.672 58.028 56.287 0.115 0.000 0.948 225 K CB -0.220 32.348 32.500 0.114 0.000 0.762 225 K HN 0.618 nan 8.250 nan 0.000 0.472 226 T N -1.876 112.717 114.554 0.064 0.000 3.085 226 T HA -0.009 4.341 4.350 -0.000 0.000 0.263 226 T C 0.665 175.392 174.700 0.044 0.000 1.127 226 T CA 0.191 62.321 62.100 0.049 0.000 1.103 226 T CB -0.122 68.767 68.868 0.036 0.000 0.921 226 T HN 0.043 nan 8.240 nan 0.000 0.510 227 T N 5.158 119.742 114.554 0.050 0.000 2.744 227 T HA 0.392 4.742 4.350 -0.000 0.000 0.291 227 T C -2.540 172.189 174.700 0.049 0.000 0.957 227 T CA -1.371 60.753 62.100 0.041 0.000 1.002 227 T CB 1.361 70.251 68.868 0.037 0.000 0.919 227 T HN 0.194 nan 8.240 nan 0.000 0.468 228 P HA 0.053 nan 4.420 nan 0.000 0.266 228 P C -0.313 177.009 177.300 0.036 0.000 1.195 228 P CA -0.266 62.855 63.100 0.034 0.000 0.768 228 P CB 0.614 32.327 31.700 0.022 0.000 0.838 229 M N 3.146 122.765 119.600 0.032 0.000 2.217 229 M HA 0.133 4.613 4.480 -0.000 0.000 0.354 229 M C 0.209 176.519 176.300 0.015 0.000 1.225 229 M CA 0.630 55.946 55.300 0.027 0.000 1.137 229 M CB 0.275 32.874 32.600 -0.001 0.000 1.576 229 M HN 0.194 nan 8.290 nan 0.000 0.461 230 K N 4.503 124.921 120.400 0.030 0.000 2.527 230 K HA 0.527 4.847 4.320 -0.000 0.000 0.260 230 K C -2.750 173.882 176.600 0.053 0.000 0.937 230 K CA -1.801 54.507 56.287 0.034 0.000 0.826 230 K CB 1.696 34.219 32.500 0.039 0.000 1.359 230 K HN 0.298 nan 8.250 nan 0.000 0.434 231 P HA 0.029 nan 4.420 nan 0.000 0.268 231 P C 0.921 178.293 177.300 0.121 0.000 1.208 231 P CA -0.158 62.996 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 3.332 122.714 119.300 0.136 0.000 2.413 232 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 232 C C 1.380 176.475 174.990 0.175 0.000 1.236 232 C CA 0.444 59.547 59.018 0.141 0.000 1.735 232 C CB -1.580 26.245 27.740 0.141 0.000 2.031 232 C HN 0.524 nan 8.230 nan 0.000 0.474 233 Y N 1.214 121.557 120.300 0.073 0.000 2.745 233 Y HA 0.367 4.917 4.550 -0.000 0.000 0.335 233 Y C 1.219 177.179 175.900 0.100 0.000 1.212 233 Y CA 1.294 59.442 58.100 0.080 0.000 1.535 233 Y CB -0.063 38.428 38.460 0.050 0.000 1.220 233 Y HN 0.660 nan 8.280 nan 0.000 0.531 234 G N 3.019 111.693 108.800 -0.211 0.000 2.195 234 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 234 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 234 G C 0.234 175.194 174.900 0.100 0.000 0.984 234 G CA 0.141 45.208 45.100 -0.054 0.000 0.633 234 G HN 0.716 nan 8.290 nan 0.000 0.525 235 S N 0.221 115.971 115.700 0.084 0.000 2.531 235 S HA 0.558 5.028 4.470 -0.000 0.000 0.279 235 S C -0.479 174.108 174.600 -0.022 0.000 1.305 235 S CA 0.067 58.292 58.200 0.043 0.000 1.058 235 S CB 1.002 64.231 63.200 0.048 0.000 0.899 235 S HN 0.752 nan 8.310 nan 0.000 0.493 236 Y N 1.409 121.541 120.300 -0.281 0.000 2.534 236 Y HA 0.626 5.176 4.550 0.000 0.000 0.345 236 Y C -1.102 174.652 175.900 -0.245 0.000 1.031 236 Y CA -0.995 56.827 58.100 -0.464 0.000 1.022 236 Y CB 1.403 39.262 38.460 -1.002 0.000 1.292 236 Y HN 0.668 nan 8.280 nan 0.000 0.459 237 A N 5.686 127.802 122.820 -1.174 0.000 2.485 237 A HA 0.478 4.798 4.320 -0.000 0.000 0.285 237 A C -1.459 175.550 177.584 -0.958 0.000 1.045 237 A CA -0.999 50.535 52.037 -0.839 0.000 0.792 237 A CB 0.676 19.456 19.000 -0.367 0.000 1.307 237 A HN 0.803 nan 8.150 nan 0.000 0.406 238 K N 3.314 123.252 120.400 -0.770 0.000 2.485 238 K HA 0.357 4.677 4.320 -0.000 0.000 0.277 238 K C -2.359 174.127 176.600 -0.191 0.000 0.990 238 K CA -0.636 55.441 56.287 -0.349 0.000 0.994 238 K CB 0.323 32.773 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 -0.113 177.166 177.300 -0.035 0.000 1.238 239 P CA -0.412 62.655 63.100 -0.056 0.000 0.794 239 P CB 1.313 32.998 31.700 -0.025 0.000 0.955 240 T N -1.762 112.775 114.554 -0.028 0.000 3.092 240 T HA 0.196 4.546 4.350 -0.000 0.000 0.258 240 T C 0.227 174.919 174.700 -0.013 0.000 1.031 240 T CA -0.312 61.778 62.100 -0.016 0.000 0.925 240 T CB -0.751 68.111 68.868 -0.011 0.000 1.036 240 T HN 0.595 nan 8.240 nan 0.000 0.544 241 N N -0.691 117.995 118.700 -0.024 0.000 2.484 241 N HA 0.234 4.974 4.740 -0.000 0.000 0.269 241 N C 0.171 175.635 175.510 -0.078 0.000 1.237 241 N CA -0.992 52.033 53.050 -0.041 0.000 0.838 241 N CB 1.272 39.742 38.487 -0.029 0.000 1.593 241 N HN -0.007 nan 8.380 nan 0.000 0.485 242 E N -0.162 119.980 120.200 -0.095 0.000 2.396 242 E HA -0.172 4.178 4.350 -0.000 0.000 0.200 242 E C -0.053 176.435 176.600 -0.187 0.000 1.023 242 E CA 0.960 57.292 56.400 -0.113 0.000 0.857 242 E CB -0.098 29.541 29.700 -0.102 0.000 0.775 242 E HN 0.488 nan 8.360 nan 0.000 0.525 243 N N -0.607 117.915 118.700 -0.296 0.000 2.322 243 N HA 0.039 4.779 4.740 -0.000 0.000 0.194 243 N C 0.852 176.207 175.510 -0.258 0.000 1.126 243 N CA 0.832 53.582 53.050 -0.499 0.000 0.845 243 N CB 1.254 38.937 38.487 -1.340 0.000 0.976 243 N HN 0.321 nan 8.380 nan 0.000 0.475 244 G N -0.031 108.698 108.800 -0.118 0.000 2.175 244 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 244 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 244 G C 0.502 175.406 174.900 0.007 0.000 0.982 244 G CA -0.079 45.001 45.100 -0.034 0.000 0.641 244 G HN 0.557 nan 8.290 nan 0.000 0.527 245 G N -0.072 108.747 108.800 0.033 0.000 2.544 245 G HA2 0.528 4.488 3.960 -0.000 0.000 0.242 245 G HA3 0.528 4.488 3.960 -0.000 0.000 0.242 245 G C 0.601 175.505 174.900 0.006 0.000 1.247 245 G CA 0.520 45.654 45.100 0.057 0.000 0.840 245 G HN 1.156 nan 8.290 nan 0.000 0.578 246 Q N 1.394 121.190 119.800 -0.008 0.000 2.233 246 Q HA 0.312 4.652 4.340 -0.000 0.000 0.340 246 Q C 1.198 177.182 176.000 -0.026 0.000 0.899 246 Q CA -0.062 55.715 55.803 -0.042 0.000 1.139 246 Q CB 0.700 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 -0.001 0.000 2.418 247 G HA2 0.008 3.968 3.960 -0.000 0.000 0.217 247 G HA3 0.008 3.968 3.960 -0.000 0.000 0.217 247 G C 0.939 175.840 174.900 0.002 0.000 1.158 247 G CA 1.519 46.624 45.100 0.008 0.000 0.771 247 G HN 0.513 nan 8.290 nan 0.000 0.545 248 I N -3.641 116.927 120.570 -0.003 0.000 1.251 248 I HA -0.008 4.162 4.170 -0.000 0.000 0.295 248 I C -0.616 175.500 176.117 -0.002 0.000 0.524 248 I CA -0.302 60.996 61.300 -0.004 0.000 3.160 248 I CB -0.120 37.882 38.000 0.003 0.000 1.706 248 I HN 0.017 nan 8.210 nan 0.000 0.523 249 L N 1.124 122.349 121.223 0.003 0.000 3.065 249 L HA 0.006 4.346 4.340 -0.000 0.000 0.429 249 L C -0.889 175.984 176.870 0.004 0.000 0.956 249 L CA -0.402 54.440 54.840 0.004 0.000 1.409 249 L CB -0.924 41.136 42.059 0.001 0.000 1.708 249 L HN 0.170 nan 8.230 nan 0.000 0.428 250 V N 0.926 120.843 119.914 0.005 0.000 2.668 250 V HA 0.811 4.931 4.120 -0.000 0.000 0.304 250 V C -0.045 176.052 176.094 0.006 0.000 1.071 250 V CA 0.089 62.392 62.300 0.005 0.000 0.894 250 V CB 1.810 33.636 31.823 0.005 0.000 1.008 250 V HN 0.394 nan 8.190 nan 0.000 0.425 251 K N 3.580 123.983 120.400 0.005 0.000 2.972 251 K HA -0.196 4.124 4.320 -0.000 0.000 0.853 251 K C 0.687 177.290 176.600 0.006 0.000 2.102 251 K CA 0.699 56.989 56.287 0.005 0.000 1.382 251 K CB -0.721 31.782 32.500 0.005 0.000 2.605 251 K HN 0.939 nan 8.250 nan 0.000 0.218 252 Q N 0.935 120.738 119.800 0.005 0.000 2.331 252 Q HA 0.067 4.407 4.340 -0.000 0.000 0.203 252 Q C 0.234 176.236 176.000 0.003 0.000 0.944 252 Q CA 0.901 56.706 55.803 0.004 0.000 0.892 252 Q CB 0.478 29.218 28.738 0.003 0.000 0.983 252 Q HN 0.395 nan 8.270 nan 0.000 0.482 253 Q N -1.226 118.576 119.800 0.003 0.000 2.756 253 Q HA 0.189 4.529 4.340 -0.000 0.000 0.295 253 Q C -0.870 175.132 176.000 0.003 0.000 0.903 253 Q CA -0.719 55.086 55.803 0.003 0.000 0.768 253 Q CB 1.008 29.747 28.738 0.002 0.000 1.472 253 Q HN 0.052 nan 8.270 nan 0.000 0.416 254 N N -0.322 118.380 118.700 0.002 0.000 1.366 254 N HA -0.263 4.477 4.740 -0.000 0.000 0.141 254 N C 0.238 175.749 175.510 0.003 0.000 0.460 254 N CA 2.047 55.099 53.050 0.002 0.000 1.090 254 N CB -1.521 36.967 38.487 0.002 0.000 1.396 254 N HN 0.762 nan 8.380 nan 0.000 0.443 255 G N 1.511 110.313 108.800 0.003 0.000 2.415 255 G HA2 0.491 4.451 3.960 -0.000 0.000 0.269 255 G HA3 0.491 4.451 3.960 -0.000 0.000 0.269 255 G C -0.103 174.800 174.900 0.005 0.000 1.209 255 G CA 0.141 45.244 45.100 0.004 0.000 0.835 255 G HN 0.736 nan 8.290 nan 0.000 0.534 256 K N 2.407 122.810 120.400 0.005 0.000 2.568 256 K HA 0.301 4.621 4.320 -0.000 0.000 0.273 256 K C -0.572 176.032 176.600 0.006 0.000 0.951 256 K CA -0.818 55.472 56.287 0.006 0.000 0.854 256 K CB 0.875 33.378 32.500 0.006 0.000 1.424 256 K HN 0.336 nan 8.250 nan 0.000 0.427 257 L N 0.897 122.125 121.223 0.007 0.000 2.240 257 L HA 0.037 4.377 4.340 -0.000 0.000 0.166 257 L C 1.481 178.357 176.870 0.010 0.000 0.893 257 L CA 0.126 54.972 54.840 0.010 0.000 1.058 257 L CB -0.263 41.803 42.059 0.012 0.000 1.371 257 L HN 0.662 nan 8.230 nan 0.000 0.480 258 E N -0.586 119.622 120.200 0.013 0.000 2.683 258 E HA -0.025 4.325 4.350 -0.000 0.000 0.266 258 E C 0.688 177.298 176.600 0.016 0.000 1.434 258 E CA 0.280 56.691 56.400 0.017 0.000 1.137 258 E CB 0.365 30.078 29.700 0.023 0.000 0.992 258 E HN 0.572 nan 8.360 nan 0.000 0.607 259 S N -0.711 115.000 115.700 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 -0.456 57.753 58.200 0.016 0.000 0.906 259 S CB 0.404 63.614 63.200 0.017 0.000 0.702 259 S HN 0.471 nan 8.310 nan 0.000 0.571 260 Q N -0.964 118.849 119.800 0.022 0.000 2.397 260 Q HA 0.569 4.909 4.340 -0.000 0.000 0.384 260 Q C -1.551 174.466 176.000 0.030 0.000 0.574 260 Q CA -0.359 55.456 55.803 0.020 0.000 1.025 260 Q CB 0.904 29.650 28.738 0.013 0.000 0.985 260 Q HN 0.646 nan 8.270 nan 0.000 0.456 261 V N 0.182 120.111 119.914 0.024 0.000 2.115 261 V HA -0.023 4.097 4.120 -0.000 0.000 0.344 261 V C -1.842 174.251 176.094 -0.001 0.000 1.564 261 V CA -0.618 61.701 62.300 0.032 0.000 0.889 261 V CB 0.656 32.522 31.823 0.073 0.000 1.226 261 V HN 0.743 nan 8.190 nan 0.000 0.228 262 E N 1.919 122.101 120.200 -0.030 0.000 2.311 262 E HA 0.589 4.939 4.350 -0.000 0.000 0.281 262 E C -1.130 175.347 176.600 -0.206 0.000 0.905 262 E CA -0.778 55.566 56.400 -0.092 0.000 0.778 262 E CB 2.080 31.743 29.700 -0.061 0.000 1.240 262 E HN 0.645 nan 8.360 nan 0.000 0.410 263 M N 2.335 121.724 119.600 -0.352 0.000 2.211 263 M HA 0.233 4.713 4.480 -0.000 0.000 0.356 263 M C -0.308 175.646 176.300 -0.576 0.000 1.216 263 M CA 0.219 55.124 55.300 -0.657 0.000 1.134 263 M CB 0.740 32.788 32.600 -0.920 0.000 1.564 263 M HN 0.277 nan 8.290 nan 0.000 0.463 264 Q N 3.209 122.649 119.800 -0.601 0.000 2.401 264 Q HA 0.424 4.764 4.340 -0.000 0.000 0.260 264 Q C -1.456 173.957 176.000 -0.979 0.000 1.034 264 Q CA -0.345 55.092 55.803 -0.610 0.000 0.737 264 Q CB 1.189 29.759 28.738 -0.280 0.000 1.227 264 Q HN 0.495 nan 8.270 nan 0.000 0.488 265 F N 1.942 121.484 119.950 -0.681 0.000 2.418 265 F HA 0.407 4.934 4.527 0.000 0.000 0.341 265 F C 0.078 175.354 175.800 -0.873 0.000 1.120 265 F CA 0.058 57.740 58.000 -0.530 0.000 1.232 265 F CB 0.449 39.282 39.000 -0.278 0.000 1.175 265 F HN 0.343 nan 8.300 nan 0.000 0.569 266 F N 0.040 120.068 119.950 0.130 0.000 2.613 266 F HA 0.533 5.060 4.527 -0.000 0.000 0.310 266 F C 0.043 175.871 175.800 0.047 0.000 1.085 266 F CA -0.912 57.123 58.000 0.057 0.000 0.945 266 F CB 1.911 40.919 39.000 0.012 0.000 1.298 266 F HN 0.469 nan 8.300 nan 0.000 0.455 267 S N -0.554 115.268 115.700 0.203 0.000 2.753 267 S HA 0.607 5.077 4.470 -0.000 0.000 0.302 267 S C -0.004 174.646 174.600 0.085 0.000 1.104 267 S CA -0.355 57.910 58.200 0.107 0.000 0.968 267 S CB 1.554 64.789 63.200 0.059 0.000 1.278 267 S HN 0.546 nan 8.310 nan 0.000 0.549 268 T N 0.790 115.371 114.554 0.045 0.000 3.132 268 T HA 0.335 4.685 4.350 -0.000 0.000 0.274 268 T C -0.381 174.332 174.700 0.022 0.000 1.011 268 T CA 0.325 62.442 62.100 0.028 0.000 0.899 268 T CB -0.307 68.568 68.868 0.012 0.000 1.089 268 T HN 0.870 nan 8.240 nan 0.000 0.543 269 T N 2.622 117.191 114.554 0.025 0.000 4.385 269 T HA -0.146 4.204 4.350 -0.000 0.000 0.330 269 T C -0.137 174.568 174.700 0.010 0.000 0.771 269 T CA 0.473 62.584 62.100 0.017 0.000 1.973 269 T CB -1.567 67.311 68.868 0.017 0.000 1.908 269 T HN 0.557 nan 8.240 nan 0.000 0.933 270 E N 1.469 121.674 120.200 0.008 0.000 2.129 270 E HA 0.511 4.861 4.350 -0.000 0.000 0.283 270 E C 0.593 177.194 176.600 0.001 0.000 1.080 270 E CA 0.262 56.663 56.400 0.003 0.000 0.867 270 E CB 0.841 30.541 29.700 0.001 0.000 1.056 270 E HN 0.832 nan 8.360 nan 0.000 0.404 271 A N 2.761 125.582 122.820 0.000 0.000 2.434 271 A HA -0.159 4.161 4.320 -0.000 0.000 0.686 271 A C 0.967 178.550 177.584 -0.002 0.000 0.138 271 A CA 0.585 52.621 52.037 -0.001 0.000 0.027 271 A CB -1.589 17.409 19.000 -0.003 0.000 3.972 271 A HN 0.859 nan 8.150 nan 0.000 0.548 272 T N 1.140 115.692 114.554 -0.002 0.000 2.814 272 T HA 0.634 4.984 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 2.097 64.195 62.100 -0.003 0.000 1.143 272 T CB -0.220 68.647 68.868 -0.002 0.000 0.866 272 T HN 2.611 nan 8.240 nan 0.000 0.431 273 A N 1.368 124.185 122.820 -0.006 0.000 2.454 273 A HA 0.545 4.865 4.320 -0.000 0.000 0.260 273 A C 0.866 178.444 177.584 -0.010 0.000 1.106 273 A CA 0.028 52.060 52.037 -0.008 0.000 0.780 273 A CB -0.184 18.812 19.000 -0.007 0.000 1.044 273 A HN 0.677 nan 8.150 nan 0.000 0.498 274 G N 2.661 111.454 108.800 -0.012 0.000 2.696 274 G HA2 0.389 4.349 3.960 -0.000 0.000 0.329 274 G HA3 0.389 4.349 3.960 -0.000 0.000 0.329 274 G C 0.253 175.144 174.900 -0.015 0.000 0.973 274 G CA -0.541 44.550 45.100 -0.015 0.000 1.257 274 G HN 0.781 nan 8.290 nan 0.000 0.456 275 N N 2.385 121.078 118.700 -0.013 0.000 2.518 275 N HA 0.057 4.797 4.740 -0.000 0.000 0.230 275 N C 1.692 177.194 175.510 -0.013 0.000 1.022 275 N CA 0.692 53.735 53.050 -0.012 0.000 1.172 275 N CB 0.293 38.774 38.487 -0.010 0.000 1.498 275 N HN 0.396 nan 8.380 nan 0.000 0.602 276 G N 1.165 109.959 108.800 -0.011 0.000 3.228 276 G HA2 0.054 4.014 3.960 -0.000 0.000 0.245 276 G HA3 0.054 4.014 3.960 -0.000 0.000 0.245 276 G C -0.293 174.601 174.900 -0.010 0.000 1.051 276 G CA -0.164 44.929 45.100 -0.011 0.000 0.809 276 G HN 0.388 nan 8.290 nan 0.000 0.531 277 D N 0.869 121.263 120.400 -0.010 0.000 2.368 277 D HA 0.020 4.660 4.640 -0.000 0.000 0.240 277 D C -0.375 175.918 176.300 -0.012 0.000 1.169 277 D CA -0.467 53.528 54.000 -0.009 0.000 0.906 277 D CB 0.586 41.381 40.800 -0.008 0.000 1.187 277 D HN -0.015 nan 8.370 nan 0.000 0.435 278 N N 1.909 120.604 118.700 -0.008 0.000 2.521 278 N HA 0.069 4.809 4.740 -0.000 0.000 0.236 278 N C 0.648 176.151 175.510 -0.012 0.000 1.067 278 N CA -0.423 52.621 53.050 -0.009 0.000 0.939 278 N CB 1.143 39.631 38.487 0.002 0.000 1.201 278 N HN 0.421 nan 8.380 nan 0.000 0.511 279 L N 0.996 122.205 121.223 -0.023 0.000 2.814 279 L HA -0.084 4.256 4.340 -0.000 0.000 0.248 279 L C 0.631 177.488 176.870 -0.021 0.000 1.169 279 L CA 0.620 55.444 54.840 -0.025 0.000 0.872 279 L CB -1.416 40.617 42.059 -0.043 0.000 1.029 279 L HN 0.505 nan 8.230 nan 0.000 0.452 280 T N -0.153 114.395 114.554 -0.010 0.000 2.657 280 T HA -0.044 4.306 4.350 -0.000 0.000 0.245 280 T C -1.885 172.827 174.700 0.020 0.000 1.021 280 T CA -1.066 61.041 62.100 0.013 0.000 1.155 280 T CB -0.365 68.525 68.868 0.036 0.000 1.022 280 T HN 0.189 nan 8.240 nan 0.000 0.477 281 P HA 0.259 nan 4.420 nan 0.000 0.272 281 P C 0.231 177.566 177.300 0.058 0.000 1.240 281 P CA -0.512 62.651 63.100 0.105 0.000 0.791 281 P CB 0.954 32.798 31.700 0.240 0.000 0.978 282 K N -0.596 119.845 120.400 0.069 0.000 2.425 282 K HA 0.294 4.614 4.320 -0.000 0.000 0.201 282 K C -0.525 176.107 176.600 0.053 0.000 1.128 282 K CA 0.153 56.438 56.287 -0.003 0.000 1.000 282 K CB 0.825 33.321 32.500 -0.007 0.000 0.961 282 K HN 0.198 nan 8.250 nan 0.000 0.555 283 V N 1.479 121.478 119.914 0.142 0.000 2.789 283 V HA 0.187 4.307 4.120 -0.000 0.000 0.300 283 V C -1.177 175.052 176.094 0.223 0.000 1.184 283 V CA -0.938 61.460 62.300 0.163 0.000 0.930 283 V CB 2.194 34.086 31.823 0.115 0.000 1.041 283 V HN -0.265 nan 8.190 nan 0.000 0.430 284 V N 6.160 126.175 119.914 0.168 0.000 2.347 284 V HA 0.504 4.624 4.120 -0.000 0.000 0.280 284 V C -0.144 176.002 176.094 0.087 0.000 1.021 284 V CA -0.422 61.894 62.300 0.026 0.000 0.847 284 V CB 1.476 33.276 31.823 -0.039 0.000 0.990 284 V HN 0.625 nan 8.190 nan 0.000 0.444 285 L N 5.014 126.277 121.223 0.066 0.000 2.309 285 L HA 0.489 4.829 4.340 -0.000 0.000 0.282 285 L C -0.901 175.945 176.870 -0.040 0.000 1.036 285 L CA -0.631 54.288 54.840 0.132 0.000 0.806 285 L CB 1.320 43.520 42.059 0.234 0.000 1.220 285 L HN 0.563 nan 8.230 nan 0.000 0.429 286 Y N 1.347 121.630 120.300 -0.029 0.000 2.958 286 Y HA 0.133 4.683 4.550 0.000 0.000 0.336 286 Y C 0.956 176.843 175.900 -0.021 0.000 1.160 286 Y CA -0.736 57.333 58.100 -0.051 0.000 1.292 286 Y CB 0.525 38.946 38.460 -0.065 0.000 1.306 286 Y HN 0.554 nan 8.280 nan 0.000 0.547 287 S N 1.489 117.225 115.700 0.060 0.000 2.573 287 S HA 0.392 4.862 4.470 -0.000 0.000 0.277 287 S C -0.096 174.537 174.600 0.054 0.000 1.346 287 S CA -0.456 57.780 58.200 0.060 0.000 1.034 287 S CB 1.127 64.354 63.200 0.045 0.000 0.879 287 S HN 0.707 nan 8.310 nan 0.000 0.528 288 E N 0.277 120.508 120.200 0.052 0.000 2.422 288 E HA 0.324 4.674 4.350 -0.000 0.000 0.280 288 E C -2.158 174.461 176.600 0.032 0.000 1.091 288 E CA -0.990 55.434 56.400 0.041 0.000 0.849 288 E CB 0.694 30.421 29.700 0.046 0.000 1.353 288 E HN 0.510 nan 8.360 nan 0.000 0.449 289 D N 1.137 121.551 120.400 0.022 0.000 2.217 289 D HA 0.454 5.094 4.640 -0.000 0.000 0.243 289 D C -0.402 175.899 176.300 0.001 0.000 1.054 289 D CA -0.271 53.739 54.000 0.016 0.000 0.838 289 D CB 2.102 42.910 40.800 0.015 0.000 1.162 289 D HN 0.434 nan 8.370 nan 0.000 0.472 290 V N -0.724 119.184 119.914 -0.010 0.000 2.914 290 V HA 0.404 4.524 4.120 -0.000 0.000 0.314 290 V C 0.104 176.169 176.094 -0.048 0.000 1.084 290 V CA -0.964 61.313 62.300 -0.039 0.000 0.963 290 V CB 2.399 34.187 31.823 -0.058 0.000 1.025 290 V HN 0.323 nan 8.190 nan 0.000 0.432 291 D N 2.850 123.206 120.400 -0.072 0.000 2.671 291 D HA 0.165 4.805 4.640 -0.000 0.000 0.228 291 D C 0.119 176.363 176.300 -0.093 0.000 1.102 291 D CA 0.128 54.090 54.000 -0.065 0.000 1.044 291 D CB 0.108 40.871 40.800 -0.062 0.000 1.113 291 D HN 0.700 nan 8.370 nan 0.000 0.480 292 I N 2.408 122.937 120.570 -0.068 0.000 2.618 292 I HA 0.003 4.173 4.170 -0.000 0.000 0.284 292 I C 0.220 176.321 176.117 -0.026 0.000 1.146 292 I CA 0.224 61.483 61.300 -0.068 0.000 1.425 292 I CB 0.283 38.263 38.000 -0.033 0.000 1.383 292 I HN 0.269 nan 8.210 nan 0.000 0.562 293 E N 3.864 124.056 120.200 -0.013 0.000 2.408 293 E HA 0.462 4.812 4.350 -0.000 0.000 0.275 293 E C -1.306 175.328 176.600 0.056 0.000 0.935 293 E CA -0.922 55.504 56.400 0.042 0.000 0.775 293 E CB 1.734 31.484 29.700 0.084 0.000 1.277 293 E HN 0.456 nan 8.360 nan 0.000 0.455 294 T N -0.994 113.599 114.554 0.065 0.000 3.327 294 T HA 0.315 4.665 4.350 -0.000 0.000 0.373 294 T C -1.790 172.964 174.700 0.091 0.000 1.589 294 T CA -1.423 60.724 62.100 0.079 0.000 1.497 294 T CB 0.817 69.733 68.868 0.079 0.000 1.032 294 T HN 0.331 nan 8.240 nan 0.000 0.640 295 P HA -0.016 nan 4.420 nan 0.000 0.223 295 P C 0.317 177.665 177.300 0.079 0.000 1.151 295 P CA 1.136 64.286 63.100 0.083 0.000 0.787 295 P CB 0.167 31.909 31.700 0.070 0.000 0.788 296 D N -1.332 119.138 120.400 0.117 0.000 2.563 296 D HA 0.070 4.710 4.640 -0.000 0.000 0.237 296 D C 0.205 176.560 176.300 0.092 0.000 1.282 296 D CA -0.245 53.793 54.000 0.064 0.000 0.816 296 D CB -0.320 40.514 40.800 0.056 0.000 1.066 296 D HN 0.142 nan 8.370 nan 0.000 0.501 297 T N -2.669 111.964 114.554 0.132 0.000 2.865 297 T HA 0.625 4.975 4.350 -0.000 0.000 0.294 297 T C -0.588 174.245 174.700 0.222 0.000 1.119 297 T CA -0.863 61.344 62.100 0.177 0.000 1.007 297 T CB 2.494 71.444 68.868 0.137 0.000 1.225 297 T HN 0.307 nan 8.240 nan 0.000 0.515 298 H N -0.472 118.629 119.070 0.051 0.000 2.977 298 H HA 0.543 5.099 4.556 0.000 0.000 0.350 298 H C -1.156 174.189 175.328 0.028 0.000 1.238 298 H CA -1.438 54.623 56.048 0.022 0.000 1.124 298 H CB 0.756 30.506 29.762 -0.019 0.000 1.866 298 H HN 0.523 nan 8.280 nan 0.000 0.550 299 I N 2.624 123.200 120.570 0.009 0.000 2.452 299 I HA -0.045 4.125 4.170 -0.000 0.000 0.287 299 I C 1.512 177.573 176.117 -0.093 0.000 1.079 299 I CA 0.218 61.487 61.300 -0.052 0.000 1.387 299 I CB 0.986 38.974 38.000 -0.019 0.000 1.404 299 I HN 0.761 nan 8.210 nan 0.000 0.522 300 S N 5.865 121.493 115.700 -0.120 0.000 2.524 300 S HA 0.017 4.487 4.470 -0.000 0.000 0.216 300 S C 0.112 174.756 174.600 0.073 0.000 0.987 300 S CA 0.079 58.232 58.200 -0.079 0.000 0.909 300 S CB -0.036 63.088 63.200 -0.128 0.000 0.781 300 S HN 0.597 nan 8.310 nan 0.000 0.521 301 Y N 1.285 121.540 120.300 -0.075 0.000 2.294 301 Y HA 0.557 5.107 4.550 -0.000 0.000 0.329 301 Y C -1.308 174.564 175.900 -0.047 0.000 1.135 301 Y CA -1.347 56.720 58.100 -0.054 0.000 1.213 301 Y CB 1.018 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 9.035 128.316 119.600 -0.532 0.000 2.063 302 M HA 0.333 4.813 4.480 -0.000 0.000 0.348 302 M C -1.979 173.885 176.300 -0.726 0.000 1.180 302 M CA -2.625 52.380 55.300 -0.492 0.000 1.059 302 M CB 1.121 33.575 32.600 -0.242 0.000 1.544 302 M HN 0.455 nan 8.290 nan 0.000 0.447 303 P HA -0.018 nan 4.420 nan 0.000 0.214 303 P C -0.140 177.009 177.300 -0.252 0.000 1.162 303 P CA 1.154 63.959 63.100 -0.493 0.000 0.874 303 P CB 0.358 31.890 31.700 -0.280 0.000 0.784 304 T N -1.085 113.349 114.554 -0.199 0.000 2.907 304 T HA 0.343 4.693 4.350 -0.000 0.000 0.292 304 T C 0.820 175.454 174.700 -0.110 0.000 1.043 304 T CA -0.531 61.492 62.100 -0.128 0.000 1.003 304 T CB 1.751 70.558 68.868 -0.102 0.000 1.084 304 T HN -0.117 nan 8.240 nan 0.000 0.483 305 I N 0.778 121.300 120.570 -0.079 0.000 2.716 305 I HA 0.129 4.299 4.170 -0.000 0.000 0.259 305 I C 0.650 176.738 176.117 -0.048 0.000 1.172 305 I CA 0.507 61.770 61.300 -0.061 0.000 1.478 305 I CB 0.103 38.077 38.000 -0.044 0.000 1.104 305 I HN 0.501 nan 8.210 nan 0.000 0.439 306 K N 2.888 123.260 120.400 -0.046 0.000 2.511 306 K HA -0.040 4.280 4.320 -0.000 0.000 0.280 306 K C -0.021 176.559 176.600 -0.034 0.000 1.008 306 K CA 0.344 56.611 56.287 -0.034 0.000 1.050 306 K CB 0.263 32.744 32.500 -0.032 0.000 0.889 306 K HN 0.311 nan 8.250 nan 0.000 0.484 307 E N 0.675 120.862 120.200 -0.020 0.000 2.371 307 E HA 0.308 4.658 4.350 -0.000 0.000 0.257 307 E C 0.256 176.852 176.600 -0.006 0.000 1.134 307 E CA -0.128 56.264 56.400 -0.014 0.000 0.919 307 E CB 0.822 30.518 29.700 -0.005 0.000 1.025 307 E HN 0.711 nan 8.360 nan 0.000 0.438 308 G N 1.478 110.278 108.800 0.000 0.000 2.719 308 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.686 308 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.686 308 G C -0.816 174.091 174.900 0.011 0.000 1.201 308 G CA -1.007 44.103 45.100 0.017 0.000 0.768 308 G HN 0.450 nan 8.290 nan 0.000 0.629 309 N N 0.521 119.246 118.700 0.042 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 0.713 53.786 53.050 0.039 0.000 0.948 309 N CB 1.446 40.003 38.487 0.117 0.000 1.069 309 N HN 1.277 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 0.818 174.916 174.600 -0.837 0.000 1.157 310 S CA -0.971 57.043 58.200 -0.309 0.000 0.826 310 S CB 2.389 65.495 63.200 -0.156 0.000 1.139 310 S HN 0.590 nan 8.310 nan 0.000 0.474 311 R N 0.465 120.331 120.500 -1.057 0.000 2.105 311 R HA -0.103 4.237 4.340 -0.000 0.000 0.239 311 R C 1.422 177.361 176.300 -0.601 0.000 1.135 311 R CA 1.779 57.219 56.100 -1.099 0.000 0.967 311 R CB -0.362 29.620 30.300 -0.531 0.000 0.861 311 R HN 0.731 nan 8.270 nan 0.000 0.442 312 E N 0.929 120.900 120.200 -0.382 0.000 2.070 312 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 312 E C 2.008 178.462 176.600 -0.244 0.000 1.004 312 E CA 1.158 57.409 56.400 -0.248 0.000 0.805 312 E CB -0.336 29.259 29.700 -0.174 0.000 0.744 312 E HN 0.445 nan 8.360 nan 0.000 0.451 313 L N 0.289 121.350 121.223 -0.269 0.000 2.450 313 L HA -0.081 4.259 4.340 -0.000 0.000 0.224 313 L C 2.389 179.133 176.870 -0.211 0.000 1.149 313 L CA 0.415 55.126 54.840 -0.214 0.000 0.816 313 L CB -0.293 41.658 42.059 -0.180 0.000 0.932 313 L HN 0.144 nan 8.230 nan 0.000 0.449 314 M N -1.022 118.397 119.600 -0.303 0.000 2.557 314 M HA -0.049 4.431 4.480 -0.000 0.000 0.259 314 M C 1.704 177.899 176.300 -0.175 0.000 1.086 314 M CA 1.062 56.194 55.300 -0.280 0.000 1.096 314 M CB -0.278 32.048 32.600 -0.456 0.000 1.424 314 M HN 0.284 nan 8.290 nan 0.000 0.488 315 G N 0.347 109.073 108.800 -0.124 0.000 3.189 315 G HA2 0.048 4.008 3.960 -0.000 0.000 0.225 315 G HA3 0.048 4.008 3.960 -0.000 0.000 0.225 315 G C 0.329 175.290 174.900 0.101 0.000 1.159 315 G CA -0.397 44.694 45.100 -0.015 0.000 0.763 315 G HN 0.554 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 -0.782 175.260 176.000 0.071 0.000 0.957 316 Q CA -0.177 55.650 55.803 0.039 0.000 0.882 316 Q CB 0.939 29.639 28.738 -0.062 0.000 1.235 316 Q HN 0.224 nan 8.270 nan 0.000 0.439 317 Q N 1.015 120.877 119.800 0.103 0.000 2.345 317 Q HA 0.501 4.841 4.340 -0.000 0.000 0.268 317 Q C -1.232 174.765 176.000 -0.004 0.000 1.054 317 Q CA -0.738 55.087 55.803 0.038 0.000 0.835 317 Q CB 2.487 31.238 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 -1.090 173.468 174.600 -0.070 0.000 1.092 318 S CA -0.628 57.578 58.200 0.009 0.000 1.048 318 S CB 0.853 64.172 63.200 0.199 0.000 1.053 318 S HN 0.635 nan 8.310 nan 0.000 0.501 319 M N 5.019 124.543 119.600 -0.127 0.000 2.433 319 M HA 0.536 5.016 4.480 -0.000 0.000 0.290 319 M C -2.773 173.528 176.300 0.001 0.000 1.173 319 M CA -2.138 53.076 55.300 -0.144 0.000 0.905 319 M CB 2.519 34.916 32.600 -0.337 0.000 1.692 319 M HN 0.409 nan 8.290 nan 0.000 0.462 320 P HA 0.081 nan 4.420 nan 0.000 0.271 320 P C -1.216 176.195 177.300 0.184 0.000 1.216 320 P CA -0.062 63.158 63.100 0.200 0.000 0.776 320 P CB 0.328 32.151 31.700 0.204 0.000 0.881 321 N N 2.661 121.460 118.700 0.165 0.000 2.453 321 N HA 0.077 4.817 4.740 -0.000 0.000 0.253 321 N C 0.626 176.109 175.510 -0.045 0.000 1.252 321 N CA 0.034 53.140 53.050 0.092 0.000 0.917 321 N CB 0.176 38.707 38.487 0.073 0.000 1.117 321 N HN 0.296 nan 8.380 nan 0.000 0.442 322 R N 1.825 122.245 120.500 -0.133 0.000 2.570 322 R HA 0.111 4.451 4.340 -0.000 0.000 0.277 322 R C -1.875 174.317 176.300 -0.181 0.000 1.039 322 R CA -0.899 55.076 56.100 -0.208 0.000 1.065 322 R CB -0.076 30.029 30.300 -0.325 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 -0.112 62.763 63.100 -0.376 0.000 0.780 323 P CB 0.654 32.128 31.700 -0.376 0.000 0.901 324 N N 1.752 120.197 118.700 -0.425 0.000 2.629 324 N HA 0.212 4.952 4.740 -0.000 0.000 0.277 324 N C -1.766 173.579 175.510 -0.275 0.000 1.188 324 N CA -0.410 52.505 53.050 -0.225 0.000 0.835 324 N CB 0.164 38.578 38.487 -0.122 0.000 1.420 324 N HN 0.143 nan 8.380 nan 0.000 0.542 325 Y N 2.750 123.082 120.300 0.053 0.000 2.319 325 Y HA 0.481 5.031 4.550 0.000 0.000 0.328 325 Y C 0.578 176.584 175.900 0.178 0.000 1.133 325 Y CA -0.106 58.089 58.100 0.160 0.000 1.265 325 Y CB 0.914 39.458 38.460 0.139 0.000 1.218 325 Y HN 0.308 nan 8.280 nan 0.000 0.508 326 I N 2.928 123.738 120.570 0.400 0.000 2.533 326 I HA 0.774 4.944 4.170 -0.000 0.000 0.290 326 I C -0.455 175.619 176.117 -0.071 0.000 1.056 326 I CA -0.691 60.657 61.300 0.080 0.000 1.057 326 I CB 1.745 39.719 38.000 -0.043 0.000 1.240 326 I HN 0.720 nan 8.210 nan 0.000 0.423 327 A N 4.714 127.465 122.820 -0.115 0.000 2.536 327 A HA 0.743 5.063 4.320 -0.000 0.000 0.293 327 A C -1.534 175.944 177.584 -0.178 0.000 1.119 327 A CA -0.552 51.379 52.037 -0.176 0.000 0.654 327 A CB 0.779 19.760 19.000 -0.032 0.000 1.291 327 A HN 0.395 nan 8.150 nan 0.000 0.439 328 F N 1.292 121.222 119.950 -0.034 0.000 2.444 328 F HA 0.473 5.000 4.527 0.000 0.000 0.331 328 F C 1.547 177.328 175.800 -0.032 0.000 1.167 328 F CA 0.482 58.492 58.000 0.017 0.000 1.262 328 F CB 0.664 39.757 39.000 0.155 0.000 1.196 328 F HN 0.532 nan 8.300 nan 0.000 0.583 329 R N 0.326 120.958 120.500 0.219 0.000 2.649 329 R HA 0.104 4.444 4.340 -0.000 0.000 0.270 329 R C -0.697 175.581 176.300 -0.036 0.000 1.105 329 R CA -0.830 55.320 56.100 0.082 0.000 1.193 329 R CB 0.178 30.545 30.300 0.111 0.000 1.120 329 R HN 0.508 nan 8.270 nan 0.000 0.561 330 D N 0.787 121.166 120.400 -0.035 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 -0.058 0.000 1.154 330 D CA 0.910 54.870 54.000 -0.067 0.000 0.876 330 D CB -0.024 40.764 40.800 -0.019 0.000 1.161 330 D HN 0.598 nan 8.370 nan 0.000 0.478 331 N N 2.763 121.388 118.700 -0.126 0.000 2.714 331 N HA -0.285 4.455 4.740 -0.000 0.000 0.250 331 N C -0.230 175.300 175.510 0.034 0.000 1.117 331 N CA 0.478 53.508 53.050 -0.033 0.000 0.719 331 N CB -1.532 37.031 38.487 0.127 0.000 1.081 331 N HN 0.542 nan 8.380 nan 0.000 0.557 332 F N -1.930 118.063 119.950 0.071 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 0.078 0.000 0.907 332 F CA 0.078 58.110 58.000 0.053 0.000 1.028 332 F CB -1.456 37.546 39.000 0.003 0.000 1.022 332 F HN 0.197 nan 8.300 nan 0.000 0.665 333 I N 0.826 121.513 120.570 0.195 0.000 2.775 333 I HA 0.107 4.277 4.170 -0.000 0.000 0.290 333 I C 1.558 177.787 176.117 0.186 0.000 1.203 333 I CA 1.582 62.985 61.300 0.171 0.000 1.433 333 I CB 0.337 38.407 38.000 0.117 0.000 1.354 333 I HN 0.553 nan 8.210 nan 0.000 0.579 334 G N 4.487 113.386 108.800 0.166 0.000 2.268 334 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.240 334 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.240 334 G C 0.872 175.819 174.900 0.078 0.000 1.010 334 G CA 0.312 45.477 45.100 0.108 0.000 0.618 334 G HN 0.567 nan 8.290 nan 0.000 0.516 335 L N 0.027 121.342 121.223 0.154 0.000 2.046 335 L HA 0.252 4.592 4.340 -0.000 0.000 0.208 335 L C 1.776 178.686 176.870 0.066 0.000 1.077 335 L CA 1.258 56.202 54.840 0.173 0.000 0.747 335 L CB -0.162 42.007 42.059 0.183 0.000 0.896 335 L HN 0.415 nan 8.230 nan 0.000 0.432 336 M N -1.967 117.592 119.600 -0.069 0.000 2.423 336 M HA 0.224 4.704 4.480 -0.000 0.000 0.335 336 M C -1.143 174.950 176.300 -0.345 0.000 1.177 336 M CA -0.507 54.589 55.300 -0.339 0.000 1.038 336 M CB 1.637 33.909 32.600 -0.547 0.000 1.641 336 M HN -0.198 nan 8.290 nan 0.000 0.455 337 Y N 1.638 121.768 120.300 -0.284 0.000 2.335 337 Y HA 0.291 4.841 4.550 -0.000 0.000 0.331 337 Y C -0.922 174.830 175.900 -0.247 0.000 1.094 337 Y CA 0.548 58.535 58.100 -0.187 0.000 1.253 337 Y CB 0.454 38.800 38.460 -0.189 0.000 1.203 337 Y HN 0.392 nan 8.280 nan 0.000 0.508 338 Y N 0.833 121.300 120.300 0.280 0.000 2.562 338 Y HA 0.230 4.780 4.550 -0.000 0.000 0.345 338 Y C -0.053 175.962 175.900 0.192 0.000 1.045 338 Y CA -2.178 56.072 58.100 0.250 0.000 1.028 338 Y CB 1.467 40.098 38.460 0.284 0.000 1.297 338 Y HN 0.642 nan 8.280 nan 0.000 0.463 339 N N 0.147 119.054 118.700 0.346 0.000 2.721 339 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 339 N C -1.003 174.601 175.510 0.158 0.000 1.072 339 N CA 1.136 54.331 53.050 0.242 0.000 0.710 339 N CB -1.297 37.355 38.487 0.275 0.000 0.993 339 N HN 0.401 nan 8.380 nan 0.000 0.547 340 S N -0.584 115.177 115.700 0.102 0.000 2.652 340 S HA 0.237 4.707 4.470 -0.000 0.000 0.252 340 S C 1.396 175.969 174.600 -0.044 0.000 1.219 340 S CA -0.286 57.947 58.200 0.054 0.000 1.151 340 S CB 1.390 64.669 63.200 0.131 0.000 1.080 340 S HN 0.371 nan 8.310 nan 0.000 0.481 341 T N 0.121 114.649 114.554 -0.043 0.000 2.869 341 T HA -0.136 4.214 4.350 -0.000 0.000 0.270 341 T C 1.906 176.536 174.700 -0.116 0.000 1.082 341 T CA 1.557 63.608 62.100 -0.081 0.000 1.123 341 T CB -0.372 68.465 68.868 -0.053 0.000 0.856 341 T HN 0.623 nan 8.240 nan 0.000 0.499 342 G N 1.217 109.950 108.800 -0.112 0.000 2.511 342 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.217 342 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.217 342 G C 0.987 175.752 174.900 -0.226 0.000 1.133 342 G CA 0.003 45.023 45.100 -0.134 0.000 0.792 342 G HN 0.581 nan 8.290 nan 0.000 0.539 343 N N 0.132 118.642 118.700 -0.317 0.000 2.642 343 N HA 0.186 4.926 4.740 -0.000 0.000 0.308 343 N C -0.592 174.635 175.510 -0.473 0.000 1.914 343 N CA -0.203 52.555 53.050 -0.487 0.000 0.893 343 N CB 0.926 38.836 38.487 -0.962 0.000 1.322 343 N HN 0.213 nan 8.380 nan 0.000 0.490 344 M N 0.973 120.335 119.600 -0.398 0.000 2.228 344 M HA 0.217 4.697 4.480 -0.000 0.000 0.351 344 M C 0.925 176.800 176.300 -0.709 0.000 1.233 344 M CA -0.035 54.980 55.300 -0.475 0.000 1.129 344 M CB 0.666 33.067 32.600 -0.332 0.000 1.604 344 M HN 0.218 nan 8.290 nan 0.000 0.457 345 G N 3.034 111.132 108.800 -1.169 0.000 2.636 345 G HA2 0.463 4.423 3.960 -0.000 0.000 0.246 345 G HA3 0.463 4.423 3.960 -0.000 0.000 0.246 345 G C -1.206 173.254 174.900 -0.733 0.000 1.216 345 G CA -0.639 43.401 45.100 -1.766 0.000 0.854 345 G HN 0.642 nan 8.290 nan 0.000 0.572 346 V N 0.942 120.673 119.914 -0.303 0.000 2.623 346 V HA 0.501 4.621 4.120 -0.000 0.000 0.304 346 V C -0.890 175.391 176.094 0.312 0.000 1.054 346 V CA -0.617 61.691 62.300 0.014 0.000 0.882 346 V CB 1.637 33.455 31.823 -0.009 0.000 1.002 346 V HN 0.677 nan 8.190 nan 0.000 0.424 347 L N 4.817 126.195 121.223 0.259 0.000 2.504 347 L HA 0.950 5.290 4.340 -0.000 0.000 0.265 347 L C -0.398 176.583 176.870 0.185 0.000 0.975 347 L CA -0.053 54.943 54.840 0.261 0.000 0.864 347 L CB 1.278 43.447 42.059 0.183 0.000 1.212 347 L HN 0.859 nan 8.230 nan 0.000 0.416 348 A N 2.963 125.909 122.820 0.210 0.000 2.549 348 A HA 0.844 5.164 4.320 -0.000 0.000 0.297 348 A C -0.197 177.532 177.584 0.243 0.000 1.061 348 A CA -0.201 51.955 52.037 0.197 0.000 0.690 348 A CB 1.280 20.358 19.000 0.129 0.000 1.287 348 A HN 0.903 nan 8.150 nan 0.000 0.402 349 G N -0.169 108.763 108.800 0.221 0.000 2.442 349 G HA2 0.396 4.356 3.960 -0.000 0.000 0.249 349 G HA3 0.396 4.356 3.960 -0.000 0.000 0.249 349 G C 0.400 175.300 174.900 -0.001 0.000 1.263 349 G CA -0.080 45.057 45.100 0.061 0.000 0.846 349 G HN 0.842 nan 8.290 nan 0.000 0.555 350 Q N 1.374 121.128 119.800 -0.075 0.000 2.050 350 Q HA -0.174 4.166 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 1.738 57.519 55.803 -0.036 0.000 0.840 350 Q CB -0.109 28.597 28.738 -0.053 0.000 0.898 350 Q HN 0.712 nan 8.270 nan 0.000 0.424 351 A N 0.060 122.851 122.820 -0.048 0.000 1.902 351 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 351 A C 2.141 179.723 177.584 -0.003 0.000 1.181 351 A CA 1.769 53.789 52.037 -0.028 0.000 0.623 351 A CB -0.744 18.233 19.000 -0.039 0.000 0.818 351 A HN 0.336 nan 8.150 nan 0.000 0.443 352 S N -1.790 113.917 115.700 0.012 0.000 2.368 352 S HA -0.232 4.238 4.470 -0.000 0.000 0.224 352 S C 1.394 176.019 174.600 0.041 0.000 1.029 352 S CA 1.733 59.957 58.200 0.041 0.000 0.988 352 S CB -0.319 62.923 63.200 0.071 0.000 0.838 352 S HN 0.608 nan 8.310 nan 0.000 0.462 353 Q N -1.198 118.625 119.800 0.038 0.000 2.177 353 Q HA -0.199 4.141 4.340 -0.000 0.000 0.174 353 Q C -0.223 175.804 176.000 0.045 0.000 0.609 353 Q CA 1.028 56.852 55.803 0.035 0.000 1.453 353 Q CB -1.341 27.410 28.738 0.020 0.000 1.591 353 Q HN 0.444 nan 8.270 nan 0.000 0.818 354 L N 2.213 123.472 121.223 0.059 0.000 2.367 354 L HA 0.242 4.582 4.340 -0.000 0.000 0.275 354 L C 0.335 177.255 176.870 0.083 0.000 1.129 354 L CA 0.737 55.617 54.840 0.067 0.000 0.839 354 L CB 0.776 42.882 42.059 0.079 0.000 1.133 354 L HN 0.193 nan 8.230 nan 0.000 0.453 355 N N 3.106 121.848 118.700 0.069 0.000 2.420 355 N HA 0.142 4.882 4.740 -0.000 0.000 0.262 355 N C 0.852 176.433 175.510 0.118 0.000 1.144 355 N CA 0.131 53.226 53.050 0.076 0.000 0.952 355 N CB 1.159 39.660 38.487 0.024 0.000 1.081 355 N HN 0.781 nan 8.380 nan 0.000 0.480 356 A N 3.725 126.636 122.820 0.151 0.000 2.119 356 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 356 A C 0.620 178.386 177.584 0.304 0.000 1.153 356 A CA 0.449 52.612 52.037 0.210 0.000 0.692 356 A CB 0.205 19.300 19.000 0.159 0.000 0.799 356 A HN 0.463 nan 8.150 nan 0.000 0.458 357 V N 1.006 121.040 119.914 0.199 0.000 2.406 357 V HA 0.362 4.482 4.120 -0.000 0.000 0.272 357 V C -0.582 175.499 176.094 -0.022 0.000 1.043 357 V CA -0.186 62.204 62.300 0.150 0.000 0.915 357 V CB 1.251 33.063 31.823 -0.019 0.000 0.988 357 V HN 0.085 nan 8.190 nan 0.000 0.466 358 V N 4.455 124.282 119.914 -0.145 0.000 2.419 358 V HA 0.440 4.560 4.120 -0.000 0.000 0.287 358 V C -0.555 175.366 176.094 -0.288 0.000 1.017 358 V CA -0.549 61.523 62.300 -0.381 0.000 0.844 358 V CB 1.644 33.016 31.823 -0.752 0.000 1.011 358 V HN 0.824 nan 8.190 nan 0.000 0.429 359 D N 3.310 123.616 120.400 -0.157 0.000 2.326 359 D HA 0.770 5.410 4.640 -0.000 0.000 0.248 359 D C -0.857 175.465 176.300 0.036 0.000 1.001 359 D CA -0.268 53.742 54.000 0.016 0.000 0.961 359 D CB 2.242 43.000 40.800 -0.070 0.000 1.183 359 D HN 0.350 nan 8.370 nan 0.000 0.502 360 L N 1.017 122.318 121.223 0.130 0.000 2.388 360 L HA 0.331 4.671 4.340 -0.000 0.000 0.264 360 L C 1.015 177.960 176.870 0.126 0.000 0.998 360 L CA -0.667 54.235 54.840 0.103 0.000 0.817 360 L CB 2.218 44.349 42.059 0.120 0.000 1.338 360 L HN 0.387 nan 8.230 nan 0.000 0.414 361 Q N -1.008 118.846 119.800 0.091 0.000 2.415 361 Q HA -0.045 4.295 4.340 -0.000 0.000 0.206 361 Q C 0.174 176.241 176.000 0.111 0.000 0.946 361 Q CA 0.509 56.371 55.803 0.099 0.000 0.951 361 Q CB 0.213 28.985 28.738 0.057 0.000 1.026 361 Q HN 0.597 nan 8.270 nan 0.000 0.510 362 D N 0.833 121.303 120.400 0.117 0.000 2.354 362 D HA 0.039 4.679 4.640 -0.000 0.000 0.209 362 D C -0.042 176.345 176.300 0.145 0.000 1.015 362 D CA 0.059 54.129 54.000 0.117 0.000 0.867 362 D CB 0.405 41.263 40.800 0.096 0.000 0.933 362 D HN 0.221 nan 8.370 nan 0.000 0.520 363 R N 0.315 120.919 120.500 0.173 0.000 2.573 363 R HA 0.302 4.642 4.340 -0.000 0.000 0.272 363 R C -0.711 175.708 176.300 0.199 0.000 1.009 363 R CA -0.517 55.692 56.100 0.183 0.000 1.059 363 R CB 0.681 31.128 30.300 0.245 0.000 1.112 363 R HN -0.202 nan 8.270 nan 0.000 0.517 364 N N 1.261 120.048 118.700 0.145 0.000 2.746 364 N HA 0.127 4.867 4.740 -0.000 0.000 0.250 364 N C -0.376 175.170 175.510 0.059 0.000 1.146 364 N CA -0.190 52.917 53.050 0.094 0.000 0.828 364 N CB 1.428 39.896 38.487 -0.030 0.000 1.158 364 N HN 0.572 nan 8.380 nan 0.000 0.519 365 T N 0.911 115.518 114.554 0.090 0.000 2.746 365 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 365 T C 1.353 176.002 174.700 -0.085 0.000 1.039 365 T CA 1.116 63.207 62.100 -0.016 0.000 1.142 365 T CB 0.207 68.983 68.868 -0.155 0.000 0.866 365 T HN 0.443 nan 8.240 nan 0.000 0.444 366 E N 0.870 121.037 120.200 -0.055 0.000 2.051 366 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 366 E C 2.257 178.863 176.600 0.010 0.000 0.991 366 E CA 0.830 57.223 56.400 -0.010 0.000 0.799 366 E CB -0.483 29.253 29.700 0.059 0.000 0.748 366 E HN 0.301 nan 8.360 nan 0.000 0.449 367 L N 1.080 122.279 121.223 -0.041 0.000 2.093 367 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 367 L C 2.482 179.336 176.870 -0.027 0.000 1.085 367 L CA 1.665 56.464 54.840 -0.069 0.000 0.755 367 L CB -0.685 41.314 42.059 -0.101 0.000 0.904 367 L HN -0.019 nan 8.230 nan 0.000 0.435 368 S N -1.680 114.028 115.700 0.014 0.000 2.383 368 S HA -0.304 4.166 4.470 -0.000 0.000 0.229 368 S C 2.110 176.741 174.600 0.052 0.000 1.030 368 S CA 1.602 59.838 58.200 0.061 0.000 1.002 368 S CB -0.596 62.636 63.200 0.055 0.000 0.829 368 S HN 0.650 nan 8.310 nan 0.000 0.467 369 Y N 1.393 121.640 120.300 -0.088 0.000 2.314 369 Y HA -0.012 4.538 4.550 -0.000 0.000 0.293 369 Y C 2.570 178.401 175.900 -0.117 0.000 1.129 369 Y CA 1.506 59.536 58.100 -0.115 0.000 1.201 369 Y CB -0.143 38.242 38.460 -0.124 0.000 0.999 369 Y HN 0.266 nan 8.280 nan 0.000 0.541 370 Q N 0.252 120.040 119.800 -0.020 0.000 2.046 370 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 370 Q C 2.341 178.261 176.000 -0.135 0.000 0.975 370 Q CA 1.678 57.438 55.803 -0.073 0.000 0.836 370 Q CB -0.511 28.156 28.738 -0.118 0.000 0.896 370 Q HN 0.541 nan 8.270 nan 0.000 0.428 371 L N 0.267 121.378 121.223 -0.185 0.000 2.141 371 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 371 L C 2.414 179.031 176.870 -0.422 0.000 1.094 371 L CA 0.366 55.115 54.840 -0.151 0.000 0.763 371 L CB -0.493 41.583 42.059 0.028 0.000 0.908 371 L HN 0.184 nan 8.230 nan 0.000 0.437 372 L N 0.178 120.993 121.223 -0.679 0.000 2.017 372 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 372 L C 2.355 178.866 176.870 -0.597 0.000 1.073 372 L CA 1.732 55.961 54.840 -1.018 0.000 0.745 372 L CB -0.394 41.250 42.059 -0.693 0.000 0.894 372 L HN 0.090 nan 8.230 nan 0.000 0.432 373 L N -0.458 120.480 121.223 -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 1.624 56.277 54.840 -0.311 0.000 0.752 373 L CB -0.757 41.133 42.059 -0.281 0.000 0.899 373 L HN 0.397 nan 8.230 nan 0.000 0.433 374 D N -0.370 119.981 120.400 -0.082 0.000 2.178 374 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 374 D C 2.235 178.521 176.300 -0.023 0.000 0.980 374 D CA 1.358 55.362 54.000 0.007 0.000 0.842 374 D CB 0.168 41.092 40.800 0.207 0.000 0.948 374 D HN 0.299 nan 8.370 nan 0.000 0.472 375 S N -0.288 115.355 115.700 -0.096 0.000 2.446 375 S HA -0.072 4.398 4.470 -0.000 0.000 0.225 375 S C 1.941 176.518 174.600 -0.037 0.000 1.016 375 S CA 0.546 58.721 58.200 -0.042 0.000 0.943 375 S CB -0.624 62.544 63.200 -0.054 0.000 0.786 375 S HN 0.546 nan 8.310 nan 0.000 0.508 376 I N -2.027 118.489 120.570 -0.089 0.000 3.941 376 I HA 0.653 4.823 4.170 -0.000 0.000 0.335 376 I C 0.614 176.708 176.117 -0.038 0.000 1.402 376 I CA -0.453 60.814 61.300 -0.055 0.000 1.112 376 I CB 0.175 38.128 38.000 -0.078 0.000 1.043 376 I HN 0.326 nan 8.210 nan 0.000 0.395 377 G N 0.523 109.303 108.800 -0.034 0.000 2.488 377 G HA2 0.124 4.084 3.960 -0.000 0.000 0.301 377 G HA3 0.124 4.084 3.960 -0.000 0.000 0.301 377 G C -2.061 172.827 174.900 -0.021 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 1.264 42.041 40.800 -0.039 0.000 1.029 378 D HN 0.271 nan 8.370 nan 0.000 0.515 379 R N 1.298 121.776 120.500 -0.036 0.000 2.377 379 R HA -0.072 4.268 4.340 -0.000 0.000 0.207 379 R C 1.803 178.098 176.300 -0.007 0.000 1.075 379 R CA 1.157 57.245 56.100 -0.020 0.000 1.035 379 R CB -0.605 29.656 30.300 -0.065 0.000 0.857 379 R HN 0.447 nan 8.270 nan 0.000 0.475 380 T N -2.853 111.674 114.554 -0.046 0.000 3.081 380 T HA 0.176 4.526 4.350 -0.000 0.000 0.255 380 T C 0.713 175.318 174.700 -0.159 0.000 1.113 380 T CA -0.129 61.925 62.100 -0.078 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 1.138 121.582 120.500 -0.093 0.000 2.410 381 R HA 0.394 4.734 4.340 -0.000 0.000 0.288 381 R C -0.957 175.396 176.300 0.089 0.000 1.051 381 R CA -0.503 55.520 56.100 -0.128 0.000 1.021 381 R CB 0.524 30.780 30.300 -0.073 0.000 1.032 381 R HN 0.278 nan 8.270 nan 0.000 0.481 382 Y N 1.781 122.006 120.300 -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 -1.383 56.631 58.100 -0.143 0.000 1.182 382 Y CB 0.927 39.053 38.460 -0.556 0.000 1.216 382 Y HN 0.461 nan 8.280 nan 0.000 0.474 383 F N 2.263 122.287 119.950 0.123 0.000 2.745 383 F HA 0.191 4.718 4.527 -0.000 0.000 0.343 383 F C 0.876 176.721 175.800 0.074 0.000 1.196 383 F CA -0.599 57.447 58.000 0.078 0.000 1.021 383 F CB 1.443 40.488 39.000 0.075 0.000 1.297 383 F HN 0.562 nan 8.300 nan 0.000 0.486 384 S N 4.926 120.766 115.700 0.233 0.000 2.400 384 S HA -0.260 4.210 4.470 -0.000 0.000 0.232 384 S C 1.956 176.351 174.600 -0.341 0.000 1.025 384 S CA 1.347 59.556 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 -0.015 119.063 119.600 -0.870 0.000 2.082 385 M HA -0.072 4.408 4.480 -0.000 0.000 0.258 385 M C 1.150 176.971 176.300 -0.799 0.000 1.069 385 M CA 1.857 56.499 55.300 -1.097 0.000 1.102 385 M CB -0.217 31.337 32.600 -1.744 0.000 1.336 385 M HN 0.553 nan 8.290 nan 0.000 0.404 386 W N -0.374 120.545 121.300 -0.635 0.000 3.316 386 W HA 0.224 4.884 4.660 0.000 0.000 0.327 386 W C 0.442 176.726 176.519 -0.393 0.000 1.232 386 W CA -0.668 56.528 57.345 -0.249 0.000 1.805 386 W CB -0.109 29.243 29.460 -0.181 0.000 1.090 386 W HN 0.360 nan 8.180 nan 0.000 0.654 387 N N 1.413 119.943 118.700 -0.283 0.000 2.754 387 N HA -0.259 4.481 4.740 -0.000 0.000 0.248 387 N C -0.034 175.339 175.510 -0.230 0.000 1.093 387 N CA 0.693 53.476 53.050 -0.446 0.000 0.699 387 N CB -1.112 36.593 38.487 -1.302 0.000 1.016 387 N HN 0.335 nan 8.380 nan 0.000 0.552 388 Q N 0.268 120.042 119.800 -0.044 0.000 2.534 388 Q HA 0.496 4.836 4.340 -0.000 0.000 0.223 388 Q C -0.862 175.141 176.000 0.006 0.000 1.239 388 Q CA 0.260 56.104 55.803 0.068 0.000 0.936 388 Q CB 0.082 28.977 28.738 0.262 0.000 1.457 388 Q HN 0.408 nan 8.270 nan 0.000 0.547 389 A N 3.963 126.702 122.820 -0.135 0.000 2.679 389 A HA 0.270 4.590 4.320 -0.000 0.000 0.288 389 A C -0.878 176.583 177.584 -0.205 0.000 1.160 389 A CA -0.571 51.198 52.037 -0.446 0.000 0.763 389 A CB 1.115 19.598 19.000 -0.862 0.000 1.270 389 A HN 0.511 nan 8.150 nan 0.000 0.417 390 V N 2.636 122.537 119.914 -0.021 0.000 2.788 390 V HA 0.048 4.168 4.120 -0.000 0.000 0.307 390 V C 0.086 176.199 176.094 0.032 0.000 1.069 390 V CA 0.300 62.614 62.300 0.024 0.000 1.173 390 V CB 0.496 32.350 31.823 0.052 0.000 0.925 390 V HN 0.813 nan 8.190 nan 0.000 0.492 391 D N 4.371 124.790 120.400 0.032 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 0.510 54.574 54.000 0.107 0.000 0.884 391 D CB 1.356 42.166 40.800 0.017 0.000 1.194 391 D HN 0.831 nan 8.370 nan 0.000 0.441 392 S N 1.026 116.919 115.700 0.321 0.000 2.688 392 S HA 0.724 5.194 4.470 -0.000 0.000 0.275 392 S C -1.120 173.518 174.600 0.064 0.000 1.175 392 S CA -0.991 57.322 58.200 0.189 0.000 0.818 392 S CB 1.593 64.792 63.200 -0.002 0.000 1.157 392 S HN 0.547 nan 8.310 nan 0.000 0.482 393 Y N -1.093 119.128 120.300 -0.133 0.000 2.644 393 Y HA 0.744 5.294 4.550 0.000 0.000 0.338 393 Y C -1.084 174.681 175.900 -0.224 0.000 1.119 393 Y CA -1.217 56.709 58.100 -0.290 0.000 1.060 393 Y CB 0.651 38.782 38.460 -0.548 0.000 1.294 393 Y HN 0.617 nan 8.280 nan 0.000 0.472 394 D N 2.057 122.471 120.400 0.024 0.000 2.343 394 D HA 0.239 4.879 4.640 -0.000 0.000 0.255 394 D C -1.908 174.465 176.300 0.123 0.000 1.187 394 D CA -2.289 51.723 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 0.357 nan 8.370 nan 0.000 0.469 395 P HA -0.097 nan 4.420 nan 0.000 0.216 395 P C 0.508 177.854 177.300 0.077 0.000 1.150 395 P CA 0.875 64.049 63.100 0.123 0.000 0.837 395 P CB 0.326 32.057 31.700 0.051 0.000 0.786 396 D N -1.446 119.008 120.400 0.091 0.000 2.348 396 D HA -0.037 4.603 4.640 -0.000 0.000 0.216 396 D C 1.715 178.126 176.300 0.185 0.000 0.970 396 D CA 0.700 54.786 54.000 0.144 0.000 0.889 396 D CB 0.024 40.921 40.800 0.162 0.000 0.912 396 D HN 0.095 nan 8.370 nan 0.000 0.524 397 V N 0.430 120.374 119.914 0.050 0.000 2.685 397 V HA -0.055 4.065 4.120 -0.000 0.000 0.244 397 V C 2.377 178.337 176.094 -0.224 0.000 1.054 397 V CA 0.592 62.820 62.300 -0.120 0.000 1.076 397 V CB -0.038 31.555 31.823 -0.384 0.000 0.725 397 V HN -0.028 nan 8.190 nan 0.000 0.467 398 R N 0.742 121.069 120.500 -0.288 0.000 2.075 398 R HA 0.069 4.409 4.340 -0.000 0.000 0.232 398 R C 0.607 176.766 176.300 -0.235 0.000 1.126 398 R CA 1.529 57.378 56.100 -0.418 0.000 0.963 398 R CB -0.155 29.752 30.300 -0.656 0.000 0.858 398 R HN 0.455 nan 8.270 nan 0.000 0.435 399 I N 1.598 122.100 120.570 -0.114 0.000 2.411 399 I HA 0.270 4.440 4.170 -0.000 0.000 0.284 399 I C -0.626 175.511 176.117 0.032 0.000 1.012 399 I CA -0.760 60.502 61.300 -0.064 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 5.881 126.494 120.570 0.071 0.000 2.517 400 I HA 0.079 4.249 4.170 -0.000 0.000 0.285 400 I C 0.653 176.880 176.117 0.184 0.000 1.106 400 I CA 0.310 61.711 61.300 0.169 0.000 1.402 400 I CB 0.392 38.503 38.000 0.185 0.000 1.399 400 I HN 0.616 nan 8.210 nan 0.000 0.535 401 E N 6.688 126.997 120.200 0.182 0.000 2.173 401 E HA 0.109 4.459 4.350 -0.000 0.000 0.249 401 E C -0.671 175.952 176.600 0.038 0.000 0.923 401 E CA -0.505 55.965 56.400 0.116 0.000 0.754 401 E CB 0.588 30.342 29.700 0.090 0.000 1.177 401 E HN 0.430 nan 8.360 nan 0.000 0.430 402 N N 2.860 121.626 118.700 0.109 0.000 2.719 402 N HA -0.008 4.732 4.740 -0.000 0.000 0.243 402 N C -0.160 175.306 175.510 -0.073 0.000 1.104 402 N CA -0.116 52.975 53.050 0.069 0.000 0.981 402 N CB 0.086 38.740 38.487 0.278 0.000 1.290 402 N HN 0.500 nan 8.380 nan 0.000 0.513 403 H N 1.228 120.210 119.070 -0.147 0.000 2.538 403 H HA 0.440 4.996 4.556 -0.000 0.000 0.286 403 H C 1.259 176.472 175.328 -0.191 0.000 1.035 403 H CA -0.166 55.797 56.048 -0.141 0.000 1.169 403 H CB -0.210 29.464 29.762 -0.146 0.000 1.417 403 H HN 0.510 nan 8.280 nan 0.000 0.567 404 G N 0.727 109.382 108.800 -0.242 0.000 2.542 404 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.235 404 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.235 404 G C -0.159 174.537 174.900 -0.340 0.000 1.286 404 G CA -0.014 44.969 45.100 -0.195 0.000 0.904 404 G HN 1.091 nan 8.290 nan 0.000 0.577 405 T N -2.516 111.946 114.554 -0.152 0.000 2.909 405 T HA 0.692 5.042 4.350 -0.000 0.000 0.299 405 T C -0.581 174.082 174.700 -0.062 0.000 1.073 405 T CA -0.216 61.806 62.100 -0.130 0.000 0.999 405 T CB 2.322 71.155 68.868 -0.058 0.000 1.098 405 T HN 0.692 nan 8.240 nan 0.000 0.477 406 E N 2.271 122.435 120.200 -0.059 0.000 1.932 406 E HA 0.186 4.536 4.350 -0.000 0.000 0.259 406 E C -0.328 176.247 176.600 -0.043 0.000 1.099 406 E CA -0.480 55.891 56.400 -0.048 0.000 0.970 406 E CB 0.124 29.793 29.700 -0.053 0.000 1.143 406 E HN 0.700 nan 8.360 nan 0.000 0.441 407 D N 1.383 121.760 120.400 -0.039 0.000 2.643 407 D HA 0.017 4.657 4.640 -0.000 0.000 0.244 407 D C 0.595 176.865 176.300 -0.050 0.000 1.257 407 D CA -0.251 53.722 54.000 -0.046 0.000 0.831 407 D CB 0.371 41.147 40.800 -0.041 0.000 1.043 407 D HN 0.090 nan 8.370 nan 0.000 0.488 408 E N 0.323 120.498 120.200 -0.042 0.000 2.058 408 E HA -0.003 4.347 4.350 -0.000 0.000 0.194 408 E C 0.576 177.151 176.600 -0.042 0.000 0.997 408 E CA 0.846 57.224 56.400 -0.036 0.000 0.801 408 E CB 0.070 29.753 29.700 -0.029 0.000 0.746 408 E HN 0.423 nan 8.360 nan 0.000 0.450 409 L N 2.488 123.683 121.223 -0.047 0.000 2.326 409 L HA 0.285 4.625 4.340 -0.000 0.000 0.278 409 L C -1.969 174.833 176.870 -0.112 0.000 1.092 409 L CA -2.078 52.730 54.840 -0.053 0.000 0.810 409 L CB 0.594 42.632 42.059 -0.034 0.000 1.153 409 L HN 0.036 nan 8.230 nan 0.000 0.439 410 P HA 0.175 nan 4.420 nan 0.000 0.277 410 P C -1.476 175.495 177.300 -0.549 0.000 1.240 410 P CA -0.535 62.340 63.100 -0.375 0.000 0.798 410 P CB 0.842 32.292 31.700 -0.416 0.000 0.979 411 N N 1.166 119.491 118.700 -0.624 0.000 2.372 411 N HA 0.413 5.153 4.740 -0.000 0.000 0.285 411 N C -0.998 174.135 175.510 -0.628 0.000 1.008 411 N CA -0.476 52.285 53.050 -0.481 0.000 0.880 411 N CB 1.065 39.408 38.487 -0.240 0.000 1.239 411 N HN 0.408 nan 8.380 nan 0.000 0.484 412 Y N -0.126 120.057 120.300 -0.194 0.000 2.602 412 Y HA 0.640 5.190 4.550 0.000 0.000 0.342 412 Y C 0.175 175.716 175.900 -0.599 0.000 1.029 412 Y CA -1.243 56.581 58.100 -0.461 0.000 1.080 412 Y CB 1.184 39.210 38.460 -0.723 0.000 1.284 412 Y HN 0.481 nan 8.280 nan 0.000 0.485 413 C N -0.110 118.866 119.300 -0.540 0.000 2.507 413 C HA 0.897 5.357 4.460 -0.000 0.000 0.319 413 C C -0.974 173.603 174.990 -0.690 0.000 1.208 413 C CA -1.136 57.632 59.018 -0.417 0.000 1.619 413 C CB -0.411 27.224 27.740 -0.176 0.000 2.230 413 C HN 0.632 nan 8.230 nan 0.000 0.492 414 F N 0.202 120.142 119.950 -0.018 0.000 2.639 414 F HA 0.755 5.282 4.527 -0.000 0.000 0.339 414 F C -2.034 173.763 175.800 -0.005 0.000 1.071 414 F CA -2.320 55.657 58.000 -0.037 0.000 0.994 414 F CB 0.244 39.213 39.000 -0.051 0.000 1.341 414 F HN 0.362 nan 8.300 nan 0.000 0.498 415 P HA 0.211 nan 4.420 nan 0.000 0.269 415 P C 0.723 178.032 177.300 0.015 0.000 1.215 415 P CA -0.085 63.101 63.100 0.144 0.000 0.780 415 P CB 0.624 32.416 31.700 0.153 0.000 0.898 416 L N 1.114 122.321 121.223 -0.026 0.000 2.083 416 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 416 L C 2.481 178.998 176.870 -0.588 0.000 1.083 416 L CA 1.910 56.653 54.840 -0.162 0.000 0.752 416 L CB -1.170 40.882 42.059 -0.012 0.000 0.899 416 L HN 0.599 nan 8.230 nan 0.000 0.433 417 G N -0.862 107.463 108.800 -0.792 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 1.303 175.724 174.900 -0.799 0.000 1.146 417 G CA 0.923 45.025 45.100 -1.663 0.000 0.769 417 G HN 0.579 nan 8.290 nan 0.000 0.547 418 G N -2.506 106.072 108.800 -0.371 0.000 2.184 418 G HA2 0.095 4.055 3.960 -0.000 0.000 0.206 418 G HA3 0.095 4.055 3.960 -0.000 0.000 0.206 418 G C 0.003 174.841 174.900 -0.103 0.000 0.995 418 G CA 0.345 45.315 45.100 -0.217 0.000 0.651 418 G HN 1.566 nan 8.290 nan 0.000 0.511 419 V N -0.528 119.353 119.914 -0.055 0.000 3.121 419 V HA 0.625 4.745 4.120 -0.000 0.000 0.263 419 V C -0.296 175.855 176.094 0.095 0.000 1.795 419 V CA 0.165 62.491 62.300 0.044 0.000 0.979 419 V CB 1.762 33.605 31.823 0.034 0.000 1.335 419 V HN 0.652 nan 8.190 nan 0.000 0.462 420 I N 1.967 122.608 120.570 0.119 0.000 4.922 420 I HA 0.359 4.529 4.170 -0.000 0.000 0.331 420 I C 0.296 176.450 176.117 0.061 0.000 1.260 420 I CA 0.054 61.424 61.300 0.116 0.000 1.366 420 I CB 0.759 38.826 38.000 0.111 0.000 1.386 420 I HN 0.677 nan 8.210 nan 0.000 0.483 421 N N 3.297 122.020 118.700 0.039 0.000 3.250 421 N HA 0.120 4.860 4.740 -0.000 0.000 0.307 421 N C -0.162 175.361 175.510 0.022 0.000 1.355 421 N CA 0.207 53.261 53.050 0.007 0.000 1.192 421 N CB 0.005 38.484 38.487 -0.013 0.000 1.478 421 N HN 0.366 nan 8.380 nan 0.000 0.543 422 T N -1.646 112.928 114.554 0.032 0.000 2.899 422 T HA 0.304 4.654 4.350 -0.000 0.000 0.295 422 T C 0.312 175.019 174.700 0.011 0.000 1.033 422 T CA -0.740 61.376 62.100 0.026 0.000 1.084 422 T CB 1.540 70.430 68.868 0.036 0.000 0.979 422 T HN 0.383 nan 8.240 nan 0.000 0.532 423 E N 0.832 121.035 120.200 0.005 0.000 2.212 423 E HA 0.414 4.764 4.350 -0.000 0.000 0.268 423 E C -1.140 175.457 176.600 -0.006 0.000 0.902 423 E CA -1.028 55.371 56.400 -0.002 0.000 0.779 423 E CB 1.348 31.046 29.700 -0.003 0.000 1.172 423 E HN 0.514 nan 8.360 nan 0.000 0.409 424 T N 3.962 118.512 114.554 -0.008 0.000 2.779 424 T HA 0.296 4.646 4.350 -0.000 0.000 0.296 424 T C 0.017 174.712 174.700 -0.008 0.000 0.938 424 T CA -0.116 61.977 62.100 -0.011 0.000 1.119 424 T CB -0.049 68.812 68.868 -0.011 0.000 0.891 424 T HN 0.316 nan 8.240 nan 0.000 0.526 425 L N 2.253 123.471 121.223 -0.008 0.000 2.283 425 L HA 0.648 4.988 4.340 -0.000 0.000 0.259 425 L C 0.235 177.111 176.870 0.009 0.000 1.027 425 L CA -1.105 53.733 54.840 -0.003 0.000 0.828 425 L CB 2.267 44.322 42.059 -0.007 0.000 1.380 425 L HN 0.465 nan 8.230 nan 0.000 0.425 426 T N 0.466 115.030 114.554 0.017 0.000 2.829 426 T HA 0.276 4.626 4.350 -0.000 0.000 0.280 426 T C -0.243 174.494 174.700 0.062 0.000 0.999 426 T CA -0.673 61.452 62.100 0.040 0.000 0.983 426 T CB 1.785 70.672 68.868 0.032 0.000 0.968 426 T HN 0.255 nan 8.240 nan 0.000 0.446 427 K N 2.172 122.644 120.400 0.121 0.000 2.469 427 K HA 0.324 4.644 4.320 -0.000 0.000 0.274 427 K C -0.708 175.934 176.600 0.070 0.000 0.983 427 K CA 0.132 56.512 56.287 0.155 0.000 0.974 427 K CB 0.472 33.142 32.500 0.282 0.000 0.913 427 K HN 0.388 nan 8.250 nan 0.000 0.493 428 V N 3.588 123.528 119.914 0.043 0.000 2.971 428 V HA 0.414 4.534 4.120 -0.000 0.000 0.309 428 V C -0.679 175.459 176.094 0.073 0.000 1.130 428 V CA -0.911 61.418 62.300 0.049 0.000 0.964 428 V CB 2.477 34.307 31.823 0.012 0.000 1.029 428 V HN 0.701 nan 8.190 nan 0.000 0.427 429 K N 3.998 124.477 120.400 0.130 0.000 2.426 429 K HA 0.616 4.936 4.320 -0.000 0.000 0.251 429 K C -2.788 173.956 176.600 0.239 0.000 0.941 429 K CA -1.716 54.655 56.287 0.140 0.000 0.808 429 K CB 2.926 35.452 32.500 0.043 0.000 1.265 429 K HN 0.384 nan 8.250 nan 0.000 0.432 430 P HA 0.164 nan 4.420 nan 0.000 0.282 430 P C -1.299 175.954 177.300 -0.077 0.000 1.287 430 P CA -0.397 62.712 63.100 0.014 0.000 0.792 430 P CB 0.449 32.165 31.700 0.028 0.000 1.163 431 K N -1.578 118.713 120.400 -0.182 0.000 6.365 431 K HA -0.106 4.215 4.320 -0.000 0.000 0.786 431 K C 0.120 176.658 176.600 -0.104 0.000 2.401 431 K CA 0.630 56.839 56.287 -0.129 0.000 1.752 431 K CB -2.038 30.418 32.500 -0.072 0.000 2.498 431 K HN 0.836 nan 8.250 nan 0.000 0.213 432 T N -0.339 114.149 114.554 -0.110 0.000 6.178 432 T HA -0.105 4.245 4.350 -0.000 0.000 0.277 432 T C 0.863 175.511 174.700 -0.087 0.000 2.183 432 T CA 1.266 63.320 62.100 -0.076 0.000 3.733 432 T CB -1.209 67.633 68.868 -0.043 0.000 0.719 432 T HN 0.964 nan 8.240 nan 0.000 0.455 433 G N 2.251 110.969 108.800 -0.135 0.000 3.448 433 G HA2 0.422 4.382 3.960 -0.000 0.000 0.261 433 G HA3 0.422 4.382 3.960 -0.000 0.000 0.261 433 G C 0.245 175.027 174.900 -0.198 0.000 1.173 433 G CA -0.145 44.875 45.100 -0.134 0.000 0.835 433 G HN 0.671 nan 8.290 nan 0.000 0.534 434 Q N 0.412 120.094 119.800 -0.196 0.000 2.454 434 Q HA 0.235 4.575 4.340 -0.000 0.000 0.247 434 Q C -0.511 175.417 176.000 -0.120 0.000 1.028 434 Q CA -0.134 55.555 55.803 -0.190 0.000 0.910 434 Q CB 1.156 29.798 28.738 -0.160 0.000 1.276 434 Q HN 0.270 nan 8.270 nan 0.000 0.489 435 E N 1.954 122.092 120.200 -0.105 0.000 2.417 435 E HA -0.058 4.292 4.350 -0.000 0.000 0.261 435 E C -0.664 175.817 176.600 -0.199 0.000 1.000 435 E CA -0.165 56.159 56.400 -0.127 0.000 0.919 435 E CB 0.121 29.774 29.700 -0.080 0.000 0.955 435 E HN 0.465 nan 8.360 nan 0.000 0.455 436 N N 1.566 120.082 118.700 -0.306 0.000 2.699 436 N HA -0.138 4.602 4.740 -0.000 0.000 0.257 436 N C -0.607 174.370 175.510 -0.888 0.000 1.077 436 N CA 1.104 53.810 53.050 -0.574 0.000 0.702 436 N CB -1.290 37.002 38.487 -0.325 0.000 0.886 436 N HN 0.648 nan 8.380 nan 0.000 0.549 437 G N -0.695 107.618 108.800 -0.811 0.000 2.452 437 G HA2 0.672 4.632 3.960 -0.000 0.000 0.324 437 G HA3 0.672 4.632 3.960 -0.000 0.000 0.324 437 G C -0.654 173.855 174.900 -0.652 0.000 1.214 437 G CA -0.678 44.075 45.100 -0.579 0.000 0.947 437 G HN 0.202 nan 8.290 nan 0.000 0.478 438 W N 0.724 122.023 121.300 -0.003 0.000 2.761 438 W HA 0.530 5.190 4.660 0.000 0.000 0.340 438 W C -0.149 176.367 176.519 -0.004 0.000 1.072 438 W CA -0.569 56.773 57.345 -0.004 0.000 1.215 438 W CB 2.322 31.782 29.460 -0.002 0.000 1.420 438 W HN 0.478 nan 8.180 nan 0.000 0.519 439 E N 0.800 121.120 120.200 0.199 0.000 2.359 439 E HA 0.297 4.647 4.350 -0.000 0.000 0.266 439 E C -0.599 176.059 176.600 0.096 0.000 0.920 439 E CA -1.057 55.410 56.400 0.112 0.000 0.788 439 E CB 2.802 32.535 29.700 0.056 0.000 1.279 439 E HN 0.130 nan 8.360 nan 0.000 0.438 440 K N 1.078 121.517 120.400 0.065 0.000 2.319 440 K HA 0.045 4.365 4.320 -0.000 0.000 0.265 440 K C -0.380 176.240 176.600 0.033 0.000 1.000 440 K CA -0.028 56.289 56.287 0.050 0.000 0.943 440 K CB 0.367 32.891 32.500 0.041 0.000 0.950 440 K HN 0.352 nan 8.250 nan 0.000 0.485 441 D N 0.650 121.064 120.400 0.024 0.000 2.210 441 D HA 0.179 4.819 4.640 -0.000 0.000 0.249 441 D C 0.183 176.485 176.300 0.003 0.000 1.078 441 D CA -0.126 53.869 54.000 -0.008 0.000 0.875 441 D CB 1.769 42.535 40.800 -0.057 0.000 1.175 441 D HN 0.541 nan 8.370 nan 0.000 0.440 442 A N 2.342 125.156 122.820 -0.009 0.000 1.984 442 A HA -0.033 4.287 4.320 -0.000 0.000 0.214 442 A C 1.464 179.051 177.584 0.006 0.000 1.173 442 A CA 0.894 52.933 52.037 0.003 0.000 0.673 442 A CB -0.318 18.682 19.000 -0.001 0.000 0.830 442 A HN 0.611 nan 8.150 nan 0.000 0.453 443 T N 0.030 114.570 114.554 -0.022 0.000 3.500 443 T HA 0.230 4.580 4.350 -0.000 0.000 0.244 443 T C 0.064 174.787 174.700 0.037 0.000 0.962 443 T CA -0.271 61.820 62.100 -0.014 0.000 0.932 443 T CB -0.829 68.002 68.868 -0.062 0.000 1.096 443 T HN 0.505 nan 8.240 nan 0.000 0.617 444 E N 0.591 120.851 120.200 0.101 0.000 2.458 444 E HA 0.142 4.492 4.350 -0.000 0.000 0.264 444 E C -0.543 176.247 176.600 0.317 0.000 1.097 444 E CA -0.058 56.500 56.400 0.263 0.000 0.973 444 E CB 0.037 29.838 29.700 0.168 0.000 0.963 444 E HN 0.419 nan 8.360 nan 0.000 0.451 445 F N 0.182 120.131 119.950 -0.002 0.000 2.744 445 F HA -0.226 4.301 4.527 -0.000 0.000 0.377 445 F C 0.512 176.309 175.800 -0.005 0.000 1.069 445 F CA 0.561 58.559 58.000 -0.003 0.000 1.211 445 F CB -2.051 36.949 39.000 0.001 0.000 1.606 445 F HN 0.379 nan 8.300 nan 0.000 0.781 446 S N 0.394 116.125 115.700 0.052 0.000 2.599 446 S HA -0.007 4.463 4.470 -0.000 0.000 0.303 446 S C 1.353 175.975 174.600 0.036 0.000 1.267 446 S CA 0.025 58.242 58.200 0.028 0.000 1.055 446 S CB 0.775 63.964 63.200 -0.019 0.000 0.790 446 S HN 0.546 nan 8.310 nan 0.000 0.500 447 D N 1.599 122.023 120.400 0.039 0.000 2.403 447 D HA -0.116 4.524 4.640 -0.000 0.000 0.227 447 D C -0.041 176.268 176.300 0.014 0.000 0.995 447 D CA 0.739 54.761 54.000 0.036 0.000 0.928 447 D CB -0.215 40.603 40.800 0.030 0.000 0.887 447 D HN 0.673 nan 8.370 nan 0.000 0.529 448 K N 0.771 121.168 120.400 -0.004 0.000 2.530 448 K HA 0.292 4.612 4.320 -0.000 0.000 0.230 448 K C -0.884 175.692 176.600 -0.040 0.000 1.002 448 K CA -0.641 55.634 56.287 -0.019 0.000 1.014 448 K CB 0.942 33.428 32.500 -0.024 0.000 1.286 448 K HN -0.104 nan 8.250 nan 0.000 0.480 449 N N 2.028 120.706 118.700 -0.038 0.000 2.314 449 N HA 0.206 4.946 4.740 -0.000 0.000 0.294 449 N C -1.027 174.458 175.510 -0.041 0.000 1.029 449 N CA -0.732 52.282 53.050 -0.059 0.000 0.845 449 N CB 1.849 40.292 38.487 -0.073 0.000 1.321 449 N HN 0.314 nan 8.380 nan 0.000 0.481 450 E N 1.435 121.610 120.200 -0.042 0.000 2.105 450 E HA 0.420 4.770 4.350 -0.000 0.000 0.285 450 E C -0.358 176.236 176.600 -0.009 0.000 1.055 450 E CA 0.044 56.433 56.400 -0.018 0.000 0.843 450 E CB 0.674 30.369 29.700 -0.008 0.000 1.067 450 E HN 0.405 nan 8.360 nan 0.000 0.398 451 I N 2.696 123.263 120.570 -0.005 0.000 2.498 451 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 451 I C -0.281 175.839 176.117 0.005 0.000 1.032 451 I CA -1.275 60.024 61.300 -0.002 0.000 1.073 451 I CB 1.813 39.807 38.000 -0.008 0.000 1.251 451 I HN 0.209 nan 8.210 nan 0.000 0.426 452 R N 5.579 126.086 120.500 0.011 0.000 2.297 452 R HA 0.539 4.879 4.340 -0.000 0.000 0.308 452 R C -1.617 174.688 176.300 0.008 0.000 1.029 452 R CA -0.287 55.822 56.100 0.016 0.000 0.929 452 R CB 1.137 31.453 30.300 0.026 0.000 1.046 452 R HN 0.407 nan 8.270 nan 0.000 0.461 453 V N 5.528 125.447 119.914 0.008 0.000 2.347 453 V HA 0.792 4.912 4.120 -0.000 0.000 0.280 453 V C 0.734 176.833 176.094 0.009 0.000 1.021 453 V CA 0.487 62.789 62.300 0.003 0.000 0.847 453 V CB 0.418 32.239 31.823 -0.003 0.000 0.990 453 V HN 1.066 nan 8.190 nan 0.000 0.444 454 G N 5.097 113.900 108.800 0.006 0.000 2.483 454 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.521 454 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.521 454 G C -0.701 174.205 174.900 0.010 0.000 1.278 454 G CA -0.822 44.283 45.100 0.009 0.000 0.965 454 G HN 0.581 nan 8.290 nan 0.000 0.504 455 N N 0.961 119.668 118.700 0.012 0.000 2.424 455 N HA 0.327 5.067 4.740 -0.000 0.000 0.257 455 N C 0.837 176.370 175.510 0.038 0.000 1.250 455 N CA 0.325 53.378 53.050 0.006 0.000 0.946 455 N CB 0.293 38.774 38.487 -0.009 0.000 1.175 455 N HN 0.908 nan 8.380 nan 0.000 0.477 456 N N -0.430 118.294 118.700 0.040 0.000 2.317 456 N HA 0.065 4.805 4.740 -0.000 0.000 0.245 456 N C -0.604 175.013 175.510 0.177 0.000 1.294 456 N CA -0.284 52.828 53.050 0.104 0.000 0.924 456 N CB 0.145 38.682 38.487 0.083 0.000 1.186 456 N HN 0.403 nan 8.380 nan 0.000 0.495 457 F N -0.329 119.662 119.950 0.069 0.000 2.438 457 F HA 0.567 5.094 4.527 0.000 0.000 0.356 457 F C -0.208 175.631 175.800 0.065 0.000 1.099 457 F CA -0.875 57.157 58.000 0.053 0.000 1.185 457 F CB -0.108 38.921 39.000 0.047 0.000 1.115 457 F HN 0.720 nan 8.300 nan 0.000 0.526 458 A N 7.531 129.941 122.820 -0.683 0.000 2.475 458 A HA 0.827 5.147 4.320 -0.000 0.000 0.301 458 A C -1.236 175.914 177.584 -0.722 0.000 1.059 458 A CA -0.885 50.748 52.037 -0.672 0.000 0.710 458 A CB 1.532 20.222 19.000 -0.517 0.000 1.288 458 A HN 0.661 nan 8.150 nan 0.000 0.408 459 M N 1.339 120.625 119.600 -0.524 0.000 2.465 459 M HA 0.470 4.950 4.480 -0.000 0.000 0.316 459 M C -0.383 175.836 176.300 -0.135 0.000 1.121 459 M CA -0.215 54.904 55.300 -0.301 0.000 0.934 459 M CB 1.664 34.119 32.600 -0.242 0.000 1.692 459 M HN 0.950 nan 8.290 nan 0.000 0.444 460 E N 2.282 122.442 120.200 -0.067 0.000 2.207 460 E HA 0.781 5.131 4.350 -0.000 0.000 0.270 460 E C -1.772 174.738 176.600 -0.151 0.000 0.927 460 E CA -0.634 55.702 56.400 -0.108 0.000 0.799 460 E CB 2.572 32.225 29.700 -0.078 0.000 1.172 460 E HN 0.729 nan 8.360 nan 0.000 0.404 461 I N 3.063 123.514 120.570 -0.200 0.000 2.722 461 I HA 0.277 4.447 4.170 -0.000 0.000 0.292 461 I C -1.759 174.260 176.117 -0.163 0.000 1.267 461 I CA -0.808 60.401 61.300 -0.153 0.000 1.036 461 I CB 2.004 39.940 38.000 -0.106 0.000 1.281 461 I HN 0.483 nan 8.210 nan 0.000 0.423 462 N N 7.486 126.108 118.700 -0.130 0.000 2.602 462 N HA 0.229 4.969 4.740 -0.000 0.000 0.238 462 N C 0.692 176.169 175.510 -0.055 0.000 1.084 462 N CA -0.021 52.967 53.050 -0.103 0.000 0.952 462 N CB 0.771 39.205 38.487 -0.088 0.000 1.244 462 N HN 0.786 nan 8.380 nan 0.000 0.512 463 L N 3.343 124.531 121.223 -0.057 0.000 1.956 463 L HA -0.248 4.092 4.340 -0.000 0.000 0.216 463 L C 1.733 178.611 176.870 0.012 0.000 1.073 463 L CA 1.567 56.394 54.840 -0.022 0.000 0.762 463 L CB -0.252 41.790 42.059 -0.028 0.000 0.889 463 L HN 0.603 nan 8.230 nan 0.000 0.433 464 N N -0.861 117.842 118.700 0.006 0.000 2.149 464 N HA -0.208 4.532 4.740 -0.000 0.000 0.188 464 N C 1.759 177.322 175.510 0.088 0.000 1.019 464 N CA 1.080 54.148 53.050 0.030 0.000 0.857 464 N CB -0.148 38.336 38.487 -0.006 0.000 0.997 464 N HN 0.402 nan 8.380 nan 0.000 0.426 465 A N 1.247 124.115 122.820 0.079 0.000 1.930 465 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 465 A C 1.985 179.664 177.584 0.159 0.000 1.175 465 A CA 1.117 53.240 52.037 0.143 0.000 0.627 465 A CB -0.374 18.678 19.000 0.087 0.000 0.815 465 A HN 0.264 nan 8.150 nan 0.000 0.443 466 N N 0.083 118.839 118.700 0.094 0.000 2.058 466 N HA -0.103 4.637 4.740 -0.000 0.000 0.191 466 N C 1.794 177.376 175.510 0.121 0.000 1.037 466 N CA 1.425 54.522 53.050 0.078 0.000 0.848 466 N CB -0.375 38.136 38.487 0.040 0.000 1.021 466 N HN 0.464 nan 8.380 nan 0.000 0.422 467 L N 0.123 121.431 121.223 0.141 0.000 2.042 467 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 467 L C 2.437 179.487 176.870 0.299 0.000 1.076 467 L CA 1.189 56.137 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 0.950 122.286 121.300 0.061 0.000 2.355 468 W HA -0.279 4.381 4.660 -0.000 0.000 0.309 468 W C 2.730 179.341 176.519 0.153 0.000 1.206 468 W CA 1.206 58.599 57.345 0.079 0.000 1.284 468 W CB -0.078 29.395 29.460 0.023 0.000 1.145 468 W HN 0.094 nan 8.180 nan 0.000 0.502 469 R N 0.632 121.178 120.500 0.076 0.000 2.083 469 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 469 R C 2.099 178.388 176.300 -0.017 0.000 1.137 469 R CA 2.030 58.077 56.100 -0.088 0.000 0.951 469 R CB -0.778 29.510 30.300 -0.020 0.000 0.851 469 R HN 0.241 nan 8.270 nan 0.000 0.434 470 N N -0.383 118.363 118.700 0.078 0.000 2.149 470 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 470 N C 1.655 177.253 175.510 0.147 0.000 1.019 470 N CA 1.362 54.481 53.050 0.114 0.000 0.857 470 N CB -0.171 38.392 38.487 0.127 0.000 0.997 470 N HN 0.171 nan 8.380 nan 0.000 0.426 471 F N 2.083 122.051 119.950 0.030 0.000 2.113 471 F HA -0.060 4.467 4.527 -0.000 0.000 0.297 471 F C 2.115 177.871 175.800 -0.073 0.000 1.103 471 F CA 0.990 59.008 58.000 0.031 0.000 1.248 471 F CB -0.356 38.700 39.000 0.094 0.000 0.999 471 F HN -0.090 nan 8.300 nan 0.000 0.475 472 L N -1.054 120.016 121.223 -0.256 0.000 2.046 472 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 472 L C 2.387 179.124 176.870 -0.221 0.000 1.077 472 L CA 1.782 56.392 54.840 -0.383 0.000 0.747 472 L CB -1.015 40.757 42.059 -0.479 0.000 0.896 472 L HN 0.250 nan 8.230 nan 0.000 0.432 473 Y N -0.266 119.909 120.300 -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 1.750 59.766 58.100 -0.141 0.000 1.163 473 Y CB -0.004 38.388 38.460 -0.113 0.000 0.988 473 Y HN 0.114 nan 8.280 nan 0.000 0.518 474 S N -0.022 115.643 115.700 -0.057 0.000 2.368 474 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 474 S C 1.692 176.311 174.600 0.032 0.000 1.029 474 S CA 1.706 59.873 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 0.090 118.736 118.700 -0.088 0.000 2.409 475 N HA 0.244 4.984 4.740 -0.000 0.000 0.174 475 N C 1.513 177.053 175.510 0.050 0.000 1.037 475 N CA 0.879 53.937 53.050 0.013 0.000 0.898 475 N CB 0.224 38.465 38.487 -0.410 0.000 1.010 475 N HN 0.462 nan 8.380 nan 0.000 0.445 476 I N 0.297 120.806 120.570 -0.101 0.000 3.345 476 I HA 0.119 4.289 4.170 -0.000 0.000 0.258 476 I C 2.264 178.349 176.117 -0.054 0.000 1.134 476 I CA 0.179 61.444 61.300 -0.058 0.000 1.457 476 I CB -0.315 37.613 38.000 -0.121 0.000 1.425 476 I HN -0.136 nan 8.210 nan 0.000 0.461 477 A N 1.763 124.481 122.820 -0.170 0.000 1.859 477 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 477 A C 2.234 179.622 177.584 -0.327 0.000 1.209 477 A CA 1.883 53.771 52.037 -0.248 0.000 0.639 477 A CB -1.259 17.529 19.000 -0.354 0.000 0.835 477 A HN 0.396 nan 8.150 nan 0.000 0.450 478 L N -2.307 118.615 121.223 -0.502 0.000 2.349 478 L HA -0.185 4.155 4.340 -0.000 0.000 0.220 478 L C 1.918 178.505 176.870 -0.471 0.000 1.130 478 L CA 0.997 55.520 54.840 -0.530 0.000 0.791 478 L CB -0.360 41.319 42.059 -0.633 0.000 0.918 478 L HN 0.544 nan 8.230 nan 0.000 0.444 479 Y N -0.974 119.194 120.300 -0.220 0.000 2.457 479 Y HA 0.174 4.724 4.550 0.000 0.000 0.263 479 Y C 1.063 176.899 175.900 -0.107 0.000 1.164 479 Y CA -0.590 57.426 58.100 -0.140 0.000 1.274 479 Y CB 0.077 38.488 38.460 -0.082 0.000 1.097 479 Y HN 0.013 nan 8.280 nan 0.000 0.523 480 L N 1.690 122.893 121.223 -0.033 0.000 2.483 480 L HA 0.052 4.392 4.340 -0.000 0.000 0.275 480 L C -1.912 174.914 176.870 -0.072 0.000 1.220 480 L CA -1.747 53.060 54.840 -0.054 0.000 0.833 480 L CB 0.144 42.132 42.059 -0.118 0.000 1.102 480 L HN -0.077 nan 8.230 nan 0.000 0.490 481 P HA -0.066 nan 4.420 nan 0.000 0.266 481 P C -0.069 177.185 177.300 -0.075 0.000 1.193 481 P CA 0.076 63.149 63.100 -0.045 0.000 0.770 481 P CB 0.492 32.170 31.700 -0.036 0.000 0.836 482 D N 2.445 122.826 120.400 -0.032 0.000 2.221 482 D HA -0.191 4.449 4.640 -0.000 0.000 0.204 482 D C 1.602 177.886 176.300 -0.026 0.000 0.982 482 D CA 1.322 55.309 54.000 -0.022 0.000 0.857 482 D CB -0.027 40.814 40.800 0.067 0.000 0.934 482 D HN 0.426 nan 8.370 nan 0.000 0.475 483 K N -0.051 120.333 120.400 -0.028 0.000 2.280 483 K HA -0.104 4.216 4.320 -0.000 0.000 0.202 483 K C 1.731 178.297 176.600 -0.058 0.000 1.047 483 K CA 0.888 57.160 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 0.138 4.478 4.340 -0.000 0.000 0.227 484 L C 0.700 177.528 176.870 -0.071 0.000 1.127 484 L CA 0.026 54.780 54.840 -0.142 0.000 0.884 484 L CB 0.037 41.925 42.059 -0.284 0.000 1.065 484 L HN 0.117 nan 8.230 nan 0.000 0.457 485 K N -0.057 120.303 120.400 -0.068 0.000 2.240 485 K HA 0.514 4.834 4.320 -0.000 0.000 0.237 485 K C -1.165 175.451 176.600 0.026 0.000 1.027 485 K CA -0.660 55.576 56.287 -0.084 0.000 0.937 485 K CB 1.412 33.795 32.500 -0.195 0.000 1.171 485 K HN -0.124 nan 8.250 nan 0.000 0.479 486 Y N -3.094 117.133 120.300 -0.122 0.000 2.552 486 Y HA 0.400 4.950 4.550 -0.000 0.000 0.337 486 Y C -0.906 174.922 175.900 -0.121 0.000 1.094 486 Y CA -1.188 56.850 58.100 -0.103 0.000 1.028 486 Y CB 1.019 39.426 38.460 -0.089 0.000 1.321 486 Y HN 0.322 nan 8.280 nan 0.000 0.456 487 S N 4.720 120.442 115.700 0.036 0.000 2.576 487 S HA 0.311 4.781 4.470 -0.000 0.000 0.276 487 S C -2.357 172.258 174.600 0.026 0.000 1.339 487 S CA -0.836 57.330 58.200 -0.056 0.000 1.039 487 S CB 0.280 63.474 63.200 -0.009 0.000 0.902 487 S HN 0.567 nan 8.310 nan 0.000 0.516 488 P HA 0.184 nan 4.420 nan 0.000 0.278 488 P C -0.764 176.554 177.300 0.031 0.000 1.238 488 P CA -0.537 62.561 63.100 -0.003 0.000 0.794 488 P CB 0.731 32.397 31.700 -0.056 0.000 0.955 489 S N 1.366 117.100 115.700 0.055 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 -0.026 0.000 1.281 489 S CA -0.566 57.647 58.200 0.021 0.000 1.045 489 S CB -0.051 63.169 63.200 0.033 0.000 0.962 489 S HN 0.553 nan 8.310 nan 0.000 0.503 490 N N -1.107 117.573 118.700 -0.034 0.000 2.800 490 N HA -0.130 4.610 4.740 -0.000 0.000 0.250 490 N C -0.949 174.529 175.510 -0.053 0.000 1.078 490 N CA 0.959 53.975 53.050 -0.056 0.000 0.804 490 N CB -1.641 36.787 38.487 -0.099 0.000 1.135 490 N HN 0.552 nan 8.380 nan 0.000 0.565 491 V N 0.648 120.541 119.914 -0.036 0.000 2.656 491 V HA 0.264 4.384 4.120 -0.000 0.000 0.307 491 V C 0.445 176.526 176.094 -0.022 0.000 1.051 491 V CA -0.965 61.317 62.300 -0.030 0.000 0.893 491 V CB 2.476 34.284 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 -0.675 175.916 176.600 -0.014 0.000 1.044 492 K CA 0.060 56.341 56.287 -0.009 0.000 0.974 492 K CB 1.170 33.668 32.500 -0.003 0.000 0.962 492 K HN 0.575 nan 8.250 nan 0.000 0.474 493 I N 1.182 121.749 120.570 -0.006 0.000 2.619 493 I HA 0.115 4.285 4.170 -0.000 0.000 0.292 493 I C -0.170 175.977 176.117 0.050 0.000 1.100 493 I CA -0.505 60.793 61.300 -0.004 0.000 1.043 493 I CB 2.065 40.041 38.000 -0.041 0.000 1.239 493 I HN 0.622 nan 8.210 nan 0.000 0.420 494 S N 3.800 119.543 115.700 0.072 0.000 2.566 494 S HA -0.003 4.467 4.470 -0.000 0.000 0.280 494 S C 0.533 175.203 174.600 0.116 0.000 1.343 494 S CA 0.457 58.708 58.200 0.085 0.000 1.036 494 S CB 0.662 63.909 63.200 0.078 0.000 0.866 494 S HN 0.750 nan 8.310 nan 0.000 0.526 495 D N 1.111 121.532 120.400 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 -0.121 0.000 0.974 495 D CA 0.386 54.378 54.000 -0.013 0.000 0.871 495 D CB 0.014 40.806 40.800 -0.013 0.000 0.947 495 D HN 0.415 nan 8.370 nan 0.000 0.516 496 N N 1.038 119.665 118.700 -0.121 0.000 2.406 496 N HA 0.060 4.800 4.740 -0.000 0.000 0.251 496 N C -1.879 173.400 175.510 -0.385 0.000 1.069 496 N CA -1.788 51.149 53.050 -0.187 0.000 0.947 496 N CB 1.423 39.858 38.487 -0.087 0.000 1.111 496 N HN -0.060 nan 8.380 nan 0.000 0.497 497 P HA -0.008 nan 4.420 nan 0.000 0.237 497 P C -0.070 177.044 177.300 -0.309 0.000 1.178 497 P CA 0.661 63.205 63.100 -0.926 0.000 0.766 497 P CB 0.493 31.744 31.700 -0.748 0.000 0.876 498 N N -0.648 117.951 118.700 -0.168 0.000 2.336 498 N HA 0.037 4.777 4.740 -0.000 0.000 0.189 498 N C 0.464 175.967 175.510 -0.012 0.000 1.113 498 N CA 0.424 53.441 53.050 -0.054 0.000 0.858 498 N CB -0.033 38.429 38.487 -0.042 0.000 0.970 498 N HN 0.098 nan 8.380 nan 0.000 0.471 499 T N -0.014 114.535 114.554 -0.008 0.000 2.913 499 T HA 0.064 4.414 4.350 -0.000 0.000 0.287 499 T C 1.056 175.810 174.700 0.090 0.000 1.008 499 T CA -0.383 61.747 62.100 0.050 0.000 1.067 499 T CB 1.352 70.249 68.868 0.048 0.000 0.996 499 T HN 0.164 nan 8.240 nan 0.000 0.513 500 Y N 2.015 122.299 120.300 -0.027 0.000 2.220 500 Y HA -0.107 4.443 4.550 -0.000 0.000 0.291 500 Y C 2.235 178.089 175.900 -0.077 0.000 1.129 500 Y CA 1.966 60.028 58.100 -0.064 0.000 1.161 500 Y CB -0.154 38.254 38.460 -0.086 0.000 0.997 500 Y HN 0.826 nan 8.280 nan 0.000 0.522 501 D N -0.871 119.525 120.400 -0.006 0.000 2.133 501 D HA -0.317 4.323 4.640 -0.000 0.000 0.195 501 D C 2.033 178.226 176.300 -0.179 0.000 0.997 501 D CA 1.847 55.778 54.000 -0.115 0.000 0.840 501 D CB -0.541 40.264 40.800 0.009 0.000 0.947 501 D HN 0.537 nan 8.370 nan 0.000 0.452 502 Y N 0.339 120.523 120.300 -0.192 0.000 2.163 502 Y HA -0.111 4.439 4.550 0.000 0.000 0.288 502 Y C 2.129 177.878 175.900 -0.253 0.000 1.136 502 Y CA 1.615 59.606 58.100 -0.183 0.000 1.147 502 Y CB -0.142 38.247 38.460 -0.118 0.000 0.987 502 Y HN -0.002 nan 8.280 nan 0.000 0.509 503 M N -0.217 119.290 119.600 -0.155 0.000 2.460 503 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 503 M C 1.523 177.524 176.300 -0.499 0.000 1.071 503 M CA 1.556 56.681 55.300 -0.291 0.000 1.096 503 M CB -0.324 32.153 32.600 -0.205 0.000 1.408 503 M HN 0.277 nan 8.290 nan 0.000 0.463 504 N N 0.742 119.053 118.700 -0.649 0.000 2.409 504 N HA -0.019 4.721 4.740 -0.000 0.000 0.174 504 N C 1.278 176.394 175.510 -0.657 0.000 1.037 504 N CA 0.910 53.508 53.050 -0.753 0.000 0.898 504 N CB 0.305 38.147 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 -0.066 176.311 176.600 -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 1.963 122.161 120.500 -0.502 0.000 2.502 506 R HA 0.011 4.351 4.340 -0.000 0.000 0.292 506 R C -0.216 175.821 176.300 -0.438 0.000 0.998 506 R CA 0.130 55.919 56.100 -0.520 0.000 1.056 506 R CB 0.595 30.522 30.300 -0.622 0.000 0.939 506 R HN -0.033 nan 8.270 nan 0.000 0.411 507 V N 3.914 123.506 119.914 -0.537 0.000 2.539 507 V HA 0.453 4.573 4.120 -0.000 0.000 0.292 507 V C -0.518 175.232 176.094 -0.573 0.000 1.045 507 V CA -0.623 61.346 62.300 -0.551 0.000 0.945 507 V CB 1.894 33.320 31.823 -0.663 0.000 0.993 507 V HN 0.449 nan 8.190 nan 0.000 0.464 508 V N 6.828 126.578 119.914 -0.274 0.000 2.604 508 V HA 0.875 4.995 4.120 -0.000 0.000 0.305 508 V C 0.387 176.510 176.094 0.048 0.000 1.043 508 V CA -0.075 62.147 62.300 -0.130 0.000 0.888 508 V CB 1.668 33.399 31.823 -0.153 0.000 0.995 508 V HN 1.492 nan 8.190 nan 0.000 0.429 509 A N 7.253 130.119 122.820 0.076 0.000 2.454 509 A HA 0.552 4.872 4.320 -0.000 0.000 0.260 509 A C -1.660 175.985 177.584 0.102 0.000 1.106 509 A CA -0.965 51.118 52.037 0.077 0.000 0.780 509 A CB 0.263 19.283 19.000 0.034 0.000 1.044 509 A HN 0.809 nan 8.150 nan 0.000 0.498 510 P HA -0.120 nan 4.420 nan 0.000 0.218 510 P C 1.589 178.912 177.300 0.037 0.000 1.148 510 P CA 1.702 64.854 63.100 0.086 0.000 0.822 510 P CB 0.203 31.829 31.700 -0.122 0.000 0.784 511 G N -0.757 108.063 108.800 0.033 0.000 2.586 511 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.215 511 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.215 511 G C 1.280 176.219 174.900 0.064 0.000 1.128 511 G CA 0.252 45.388 45.100 0.060 0.000 0.774 511 G HN 0.263 nan 8.290 nan 0.000 0.543 512 L N -0.364 120.889 121.223 0.050 0.000 2.240 512 L HA 0.111 4.451 4.340 -0.000 0.000 0.211 512 L C 0.591 177.503 176.870 0.070 0.000 1.106 512 L CA 0.403 55.285 54.840 0.070 0.000 0.793 512 L CB 0.341 42.423 42.059 0.038 0.000 0.927 512 L HN 0.026 nan 8.230 nan 0.000 0.446 513 V N -0.892 119.026 119.914 0.007 0.000 2.502 513 V HA 0.225 4.345 4.120 -0.000 0.000 0.261 513 V C -0.506 175.493 176.094 -0.158 0.000 0.996 513 V CA -0.606 61.667 62.300 -0.046 0.000 1.095 513 V CB 0.801 32.594 31.823 -0.050 0.000 1.325 513 V HN 0.068 nan 8.190 nan 0.000 0.574 514 D N 0.581 120.812 120.400 -0.282 0.000 2.387 514 D HA 0.155 4.795 4.640 -0.000 0.000 0.251 514 D C 1.437 177.426 176.300 -0.519 0.000 1.141 514 D CA -0.099 53.613 54.000 -0.480 0.000 0.987 514 D CB 2.272 42.588 40.800 -0.807 0.000 1.116 514 D HN 0.559 nan 8.370 nan 0.000 0.491 515 C N 0.529 119.589 119.300 -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 -1.356 119.031 120.300 0.145 0.000 2.555 516 Y HA 0.617 5.167 4.550 -0.000 0.000 0.259 516 Y C 0.559 176.515 175.900 0.094 0.000 1.179 516 Y CA -2.385 55.786 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 0.151 nan 8.280 nan 0.000 0.526 517 I N 3.026 123.644 120.570 0.080 0.000 2.517 517 I HA 0.104 4.274 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 0.159 61.533 61.300 0.124 0.000 1.402 517 I CB -0.156 37.875 38.000 0.050 0.000 1.399 517 I HN 0.426 nan 8.210 nan 0.000 0.535 518 N N 5.586 124.356 118.700 0.116 0.000 2.698 518 N HA -0.236 4.504 4.740 -0.000 0.000 0.258 518 N C -0.322 175.238 175.510 0.082 0.000 0.978 518 N CA 0.561 53.645 53.050 0.058 0.000 0.777 518 N CB -0.866 37.657 38.487 0.061 0.000 0.907 518 N HN 0.592 nan 8.380 nan 0.000 0.543 519 L N 0.076 121.355 121.223 0.093 0.000 2.578 519 L HA 0.031 4.371 4.340 -0.000 0.000 0.279 519 L C 1.662 178.565 176.870 0.055 0.000 1.227 519 L CA 1.221 56.120 54.840 0.099 0.000 0.900 519 L CB 0.173 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 2.494 111.331 108.800 0.062 0.000 2.148 520 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.254 520 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.254 520 G C 0.097 175.025 174.900 0.047 0.000 0.981 520 G CA 0.112 45.239 45.100 0.045 0.000 0.670 520 G HN 1.015 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 0.911 5.231 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 -0.178 51.909 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 0.765 nan 8.150 nan 0.000 0.452 522 R N 1.459 122.060 120.500 0.168 0.000 2.287 522 R HA 0.371 4.711 4.340 -0.000 0.000 0.316 522 R C -1.629 174.842 176.300 0.285 0.000 1.050 522 R CA -0.197 56.005 56.100 0.171 0.000 0.983 522 R CB 0.535 30.900 30.300 0.108 0.000 1.140 522 R HN 0.767 nan 8.270 nan 0.000 0.528 523 W N 4.195 125.505 121.300 0.016 0.000 3.259 523 W HA 0.223 4.883 4.660 0.000 0.000 0.331 523 W C -1.275 175.240 176.519 -0.008 0.000 1.144 523 W CA -0.612 56.733 57.345 -0.000 0.000 1.227 523 W CB 2.144 31.609 29.460 0.008 0.000 1.371 523 W HN 0.585 nan 8.180 nan 0.000 0.491 524 S N 4.834 120.264 115.700 -0.450 0.000 2.537 524 S HA 0.510 4.980 4.470 -0.000 0.000 0.275 524 S C -0.122 174.231 174.600 -0.411 0.000 1.272 524 S CA -0.669 57.316 58.200 -0.358 0.000 1.050 524 S CB 1.435 64.395 63.200 -0.399 0.000 0.961 524 S HN 0.428 nan 8.310 nan 0.000 0.496 525 L N 2.988 124.151 121.223 -0.099 0.000 2.499 525 L HA 0.062 4.402 4.340 -0.000 0.000 0.273 525 L C 1.090 177.921 176.870 -0.065 0.000 1.195 525 L CA -0.373 54.485 54.840 0.030 0.000 0.882 525 L CB 0.096 42.225 42.059 0.116 0.000 1.133 525 L HN 0.737 nan 8.230 nan 0.000 0.483 526 D N 1.881 122.254 120.400 -0.046 0.000 2.190 526 D HA -0.216 4.424 4.640 -0.000 0.000 0.200 526 D C 1.748 178.018 176.300 -0.049 0.000 0.992 526 D CA 1.699 55.640 54.000 -0.098 0.000 0.854 526 D CB 0.032 40.776 40.800 -0.092 0.000 0.936 526 D HN 0.510 nan 8.370 nan 0.000 0.462 527 Y N -0.174 120.155 120.300 0.049 0.000 2.293 527 Y HA -0.054 4.496 4.550 0.000 0.000 0.291 527 Y C 2.250 178.164 175.900 0.022 0.000 1.137 527 Y CA 0.674 58.799 58.100 0.042 0.000 1.202 527 Y CB -0.194 38.293 38.460 0.045 0.000 0.990 527 Y HN -0.021 nan 8.280 nan 0.000 0.537 528 M N -0.823 118.861 119.600 0.140 0.000 2.509 528 M HA -0.022 4.458 4.480 -0.000 0.000 0.250 528 M C 1.013 177.306 176.300 -0.011 0.000 1.132 528 M CA 0.540 55.866 55.300 0.043 0.000 1.080 528 M CB -0.622 31.966 32.600 -0.020 0.000 1.408 528 M HN 0.137 nan 8.290 nan 0.000 0.484 529 D N 1.687 122.066 120.400 -0.036 0.000 2.133 529 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 529 D C 1.077 177.478 176.300 0.169 0.000 0.997 529 D CA 1.235 55.185 54.000 -0.084 0.000 0.840 529 D CB -0.191 40.510 40.800 -0.166 0.000 0.947 529 D HN 0.305 nan 8.370 nan 0.000 0.452 530 N N -0.154 118.691 118.700 0.241 0.000 2.313 530 N HA 0.044 4.784 4.740 -0.000 0.000 0.207 530 N C -0.581 175.144 175.510 0.357 0.000 1.141 530 N CA 0.003 53.258 53.050 0.342 0.000 0.830 530 N CB 0.942 39.565 38.487 0.226 0.000 1.008 530 N HN -0.003 nan 8.380 nan 0.000 0.481 531 V N 1.539 121.573 119.914 0.201 0.000 2.439 531 V HA 0.137 4.257 4.120 -0.000 0.000 0.282 531 V C 0.577 176.554 176.094 -0.195 0.000 1.039 531 V CA -1.173 61.177 62.300 0.084 0.000 0.913 531 V CB 1.431 33.280 31.823 0.043 0.000 0.983 531 V HN 0.194 nan 8.190 nan 0.000 0.460 532 N N 7.814 126.291 118.700 -0.372 0.000 2.386 532 N HA 0.006 4.746 4.740 -0.000 0.000 0.273 532 N C -1.157 174.076 175.510 -0.462 0.000 1.331 532 N CA -1.045 51.473 53.050 -0.887 0.000 0.891 532 N CB 1.300 39.634 38.487 -0.256 0.000 1.139 532 N HN 0.406 nan 8.380 nan 0.000 0.487 533 P HA -0.062 nan 4.420 nan 0.000 0.229 533 P C 0.844 177.846 177.300 -0.497 0.000 1.160 533 P CA 0.909 63.626 63.100 -0.638 0.000 0.777 533 P CB 0.016 31.076 31.700 -1.067 0.000 0.814 534 F N 0.207 120.133 119.950 -0.040 0.000 2.512 534 F HA 0.073 4.600 4.527 0.000 0.000 0.296 534 F C 1.193 177.044 175.800 0.085 0.000 1.110 534 F CA 0.289 58.338 58.000 0.082 0.000 1.446 534 F CB -0.994 38.071 39.000 0.109 0.000 1.092 534 F HN -0.154 nan 8.300 nan 0.000 0.554 535 N N 1.245 120.071 118.700 0.210 0.000 2.895 535 N HA -0.010 4.730 4.740 -0.000 0.000 0.277 535 N C -0.658 174.980 175.510 0.212 0.000 1.185 535 N CA 0.376 53.554 53.050 0.213 0.000 1.106 535 N CB -0.576 38.043 38.487 0.219 0.000 1.422 535 N HN 0.278 nan 8.380 nan 0.000 0.521 536 H N 0.586 119.684 119.070 0.048 0.000 3.012 536 H HA 0.063 4.619 4.556 0.000 0.000 0.367 536 H C 0.826 176.197 175.328 0.072 0.000 1.211 536 H CA -0.392 55.582 56.048 -0.124 0.000 1.139 536 H CB 1.251 30.740 29.762 -0.455 0.000 1.838 536 H HN 0.450 nan 8.280 nan 0.000 0.550 537 H N 2.579 121.690 119.070 0.067 0.000 2.559 537 H HA 0.082 4.638 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 0.335 56.573 56.048 0.317 0.000 1.195 537 H CB 0.265 30.196 29.762 0.282 0.000 1.368 537 H HN 0.358 nan 8.280 nan 0.000 0.592 538 R N 1.087 121.613 120.500 0.044 0.000 2.466 538 R HA 0.075 4.415 4.340 -0.000 0.000 0.279 538 R C -0.004 176.293 176.300 -0.004 0.000 0.976 538 R CA -0.173 55.903 56.100 -0.039 0.000 1.081 538 R CB -0.064 30.127 30.300 -0.182 0.000 1.215 538 R HN 0.385 nan 8.270 nan 0.000 0.546 539 N N 0.708 119.440 118.700 0.054 0.000 2.415 539 N HA 0.060 4.800 4.740 -0.000 0.000 0.250 539 N C 1.028 176.558 175.510 0.033 0.000 1.127 539 N CA -0.242 52.850 53.050 0.070 0.000 0.945 539 N CB 1.033 39.603 38.487 0.139 0.000 1.196 539 N HN 0.083 nan 8.380 nan 0.000 0.499 540 A N 3.667 126.516 122.820 0.049 0.000 1.908 540 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 540 A C 2.028 179.660 177.584 0.079 0.000 1.181 540 A CA 1.865 53.951 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 -0.116 108.713 108.800 0.049 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 1.494 176.347 174.900 -0.077 0.000 1.183 541 G CA 1.280 46.314 45.100 -0.109 0.000 0.776 541 G HN 0.586 nan 8.290 nan 0.000 0.552 542 L N 0.713 121.926 121.223 -0.016 0.000 2.046 542 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 542 L C 2.675 179.498 176.870 -0.079 0.000 1.077 542 L CA 2.279 57.114 54.840 -0.009 0.000 0.747 542 L CB -0.761 41.330 42.059 0.053 0.000 0.896 542 L HN 0.260 nan 8.230 nan 0.000 0.432 543 R N -1.851 118.528 120.500 -0.203 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 -0.168 0.000 1.136 543 R CA 2.054 57.869 56.100 -0.476 0.000 0.959 543 R CB -0.662 29.328 30.300 -0.517 0.000 0.856 543 R HN 0.576 nan 8.270 nan 0.000 0.437 544 Y N 0.667 120.869 120.300 -0.164 0.000 2.163 544 Y HA -0.167 4.383 4.550 0.000 0.000 0.288 544 Y C 2.137 177.981 175.900 -0.095 0.000 1.136 544 Y CA 1.761 59.797 58.100 -0.106 0.000 1.147 544 Y CB -0.018 38.332 38.460 -0.183 0.000 0.987 544 Y HN -0.039 nan 8.280 nan 0.000 0.509 545 R N -0.525 119.941 120.500 -0.057 0.000 2.148 545 R HA -0.133 4.207 4.340 -0.000 0.000 0.227 545 R C 2.746 179.007 176.300 -0.066 0.000 1.103 545 R CA 1.207 57.251 56.100 -0.092 0.000 0.983 545 R CB -0.439 29.842 30.300 -0.032 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 -0.015 0.000 2.357 546 S HA -0.084 4.386 4.470 -0.000 0.000 0.221 546 S C 1.805 176.458 174.600 0.090 0.000 1.031 546 S CA 1.037 59.293 58.200 0.094 0.000 0.982 546 S CB 0.054 63.433 63.200 0.298 0.000 0.853 546 S HN 0.215 nan 8.310 nan 0.000 0.458 547 M N 0.492 120.105 119.600 0.023 0.000 2.492 547 M HA 0.074 4.554 4.480 -0.000 0.000 0.262 547 M C 1.730 177.977 176.300 -0.088 0.000 1.090 547 M CA 0.396 55.705 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 0.284 nan 8.290 nan 0.000 0.470 548 L N 0.397 121.495 121.223 -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 -0.049 0.000 1.094 548 L CA 1.735 56.442 54.840 -0.221 0.000 0.763 548 L CB -0.379 41.494 42.059 -0.311 0.000 0.908 548 L HN 0.284 nan 8.230 nan 0.000 0.437 549 L N -1.886 119.337 121.223 0.000 0.000 2.209 549 L HA 0.304 4.644 4.340 -0.000 0.000 0.207 549 L C 1.094 177.994 176.870 0.051 0.000 1.094 549 L CA 0.456 55.328 54.840 0.054 0.000 0.790 549 L CB -0.325 41.748 42.059 0.023 0.000 0.932 549 L HN 0.410 nan 8.230 nan 0.000 0.447 550 G N -0.060 108.773 108.800 0.055 0.000 2.346 550 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.294 550 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.294 550 G C -0.632 174.367 174.900 0.166 0.000 1.294 550 G CA -0.044 45.108 45.100 0.087 0.000 0.962 550 G HN 0.073 nan 8.290 nan 0.000 0.508 551 N N -0.046 118.765 118.700 0.186 0.000 2.187 551 N HA 0.339 5.079 4.740 -0.000 0.000 0.212 551 N C 0.716 176.429 175.510 0.338 0.000 1.152 551 N CA 0.761 53.972 53.050 0.270 0.000 0.872 551 N CB 1.152 39.734 38.487 0.159 0.000 1.025 551 N HN 1.069 nan 8.380 nan 0.000 0.514 552 G N 0.195 109.155 108.800 0.266 0.000 2.489 552 G HA2 0.326 4.286 3.960 -0.000 0.000 0.327 552 G HA3 0.326 4.286 3.960 -0.000 0.000 0.327 552 G C 0.420 175.372 174.900 0.086 0.000 1.189 552 G CA -0.789 44.436 45.100 0.209 0.000 0.962 552 G HN 0.138 nan 8.290 nan 0.000 0.486 553 R N -0.764 119.713 120.500 -0.038 0.000 2.075 553 R HA -0.008 4.332 4.340 -0.000 0.000 0.232 553 R C -0.253 175.779 176.300 -0.447 0.000 1.126 553 R CA 0.827 56.728 56.100 -0.333 0.000 0.963 553 R CB -0.239 29.740 30.300 -0.534 0.000 0.858 553 R HN 0.457 nan 8.270 nan 0.000 0.435 554 Y N 0.636 120.928 120.300 -0.013 0.000 2.383 554 Y HA 0.366 4.916 4.550 -0.000 0.000 0.344 554 Y C -0.591 175.309 175.900 -0.001 0.000 0.986 554 Y CA -0.776 57.316 58.100 -0.013 0.000 1.175 554 Y CB 1.731 40.194 38.460 0.004 0.000 1.152 554 Y HN -0.243 nan 8.280 nan 0.000 0.511 555 V N 6.126 126.126 119.914 0.143 0.000 2.524 555 V HA 0.383 4.503 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 -2.014 60.366 62.300 0.133 0.000 0.867 555 V CB 2.268 34.142 31.823 0.085 0.000 1.004 555 V HN 0.544 nan 8.190 nan 0.000 0.426 556 P HA 0.370 nan 4.420 nan 0.000 0.292 556 P C -0.929 176.436 177.300 0.108 0.000 1.326 556 P CA -0.171 62.954 63.100 0.042 0.000 0.787 556 P CB 0.663 32.364 31.700 0.001 0.000 0.903 557 F N 1.197 121.224 119.950 0.127 0.000 2.483 557 F HA 0.650 5.177 4.527 -0.000 0.000 0.329 557 F C -0.377 175.531 175.800 0.180 0.000 1.064 557 F CA -1.163 56.943 58.000 0.177 0.000 0.986 557 F CB 1.428 40.603 39.000 0.292 0.000 1.218 557 F HN 0.403 nan 8.300 nan 0.000 0.484 558 H N 3.891 123.103 119.070 0.236 0.000 3.181 558 H HA 0.582 5.138 4.556 -0.000 0.000 0.331 558 H C -1.478 173.915 175.328 0.107 0.000 0.988 558 H CA -0.915 55.191 56.048 0.098 0.000 1.449 558 H CB 1.421 31.199 29.762 0.026 0.000 1.749 558 H HN 0.895 nan 8.280 nan 0.000 0.501 559 I N 0.952 121.643 120.570 0.200 0.000 3.145 559 I HA 0.534 4.704 4.170 -0.000 0.000 0.313 559 I C -1.557 174.475 176.117 -0.141 0.000 1.122 559 I CA -1.273 59.973 61.300 -0.090 0.000 0.987 559 I CB 2.680 40.463 38.000 -0.362 0.000 1.236 559 I HN 0.390 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 0.092 0.000 1.007 560 Q CA -0.546 55.191 55.803 -0.111 0.000 0.810 560 Q CB 2.537 30.943 28.738 -0.553 0.000 1.264 560 Q HN 0.548 nan 8.270 nan 0.000 0.452 561 V N 4.858 124.877 119.914 0.175 0.000 2.417 561 V HA 0.576 4.696 4.120 -0.000 0.000 0.291 561 V C -2.138 174.074 176.094 0.197 0.000 1.024 561 V CA -1.832 60.573 62.300 0.175 0.000 0.861 561 V CB 1.560 33.433 31.823 0.083 0.000 0.985 561 V HN 0.710 nan 8.190 nan 0.000 0.436 562 P HA 0.268 nan 4.420 nan 0.000 0.279 562 P C -1.248 175.893 177.300 -0.266 0.000 1.252 562 P CA -0.616 62.251 63.100 -0.388 0.000 0.811 562 P CB 1.324 32.447 31.700 -0.962 0.000 1.035 563 Q N 1.379 121.008 119.800 -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 -0.237 0.000 0.927 563 Q CA 0.455 56.119 55.803 -0.231 0.000 0.939 563 Q CB 0.866 29.470 28.738 -0.222 0.000 1.201 563 Q HN 0.296 nan 8.270 nan 0.000 0.426 564 K N 3.412 123.706 120.400 -0.177 0.000 2.380 564 K HA 0.151 4.471 4.320 -0.000 0.000 0.198 564 K C -0.331 176.192 176.600 -0.129 0.000 1.070 564 K CA -0.268 55.816 56.287 -0.339 0.000 1.040 564 K CB 0.421 32.506 32.500 -0.691 0.000 0.903 564 K HN 0.478 nan 8.250 nan 0.000 0.549 565 F N 2.840 122.715 119.950 -0.125 0.000 2.590 565 F HA -0.077 4.450 4.527 -0.000 0.000 0.389 565 F C 1.110 176.896 175.800 -0.024 0.000 1.049 565 F CA -1.126 56.885 58.000 0.018 0.000 1.199 565 F CB 0.200 39.342 39.000 0.238 0.000 1.058 565 F HN 0.057 nan 8.300 nan 0.000 0.556 566 F N 4.296 123.922 119.950 -0.540 0.000 2.161 566 F HA -0.115 4.412 4.527 -0.000 0.000 0.300 566 F C 1.768 177.322 175.800 -0.411 0.000 1.089 566 F CA 1.331 59.099 58.000 -0.386 0.000 1.282 566 F CB -1.212 37.618 39.000 -0.283 0.000 1.010 566 F HN 0.391 nan 8.300 nan 0.000 0.485 567 A N 1.197 123.070 122.820 -1.578 0.000 2.067 567 A HA 0.035 4.355 4.320 -0.000 0.000 0.219 567 A C 2.103 179.381 177.584 -0.511 0.000 1.158 567 A CA 1.640 53.110 52.037 -0.945 0.000 0.661 567 A CB -1.116 17.455 19.000 -0.714 0.000 0.801 567 A HN 0.796 nan 8.150 nan 0.000 0.452 568 I N -4.744 115.613 120.570 -0.355 0.000 4.526 568 I HA 0.216 4.386 4.170 -0.000 0.000 0.330 568 I C 1.620 177.537 176.117 -0.334 0.000 1.323 568 I CA 0.547 61.669 61.300 -0.296 0.000 1.218 568 I CB 0.001 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 1.973 122.193 120.400 -0.301 0.000 2.152 569 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 569 K C 0.561 177.018 176.600 -0.237 0.000 1.048 569 K CA 1.922 58.075 56.287 -0.224 0.000 0.933 569 K CB -0.176 32.244 32.500 -0.133 0.000 0.721 569 K HN 0.410 nan 8.250 nan 0.000 0.447 570 N N 0.813 119.291 118.700 -0.371 0.000 2.238 570 N HA 0.070 4.810 4.740 -0.000 0.000 0.235 570 N C -0.632 174.745 175.510 -0.221 0.000 1.209 570 N CA -0.315 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 1.621 122.610 121.223 -0.390 0.000 2.453 571 L HA 0.202 4.542 4.340 -0.000 0.000 0.272 571 L C -0.202 176.621 176.870 -0.078 0.000 1.182 571 L CA -0.224 54.502 54.840 -0.190 0.000 0.858 571 L CB 0.512 42.410 42.059 -0.268 0.000 1.120 571 L HN -0.022 nan 8.230 nan 0.000 0.474 572 L N 5.876 127.113 121.223 0.023 0.000 2.259 572 L HA 0.422 4.762 4.340 -0.000 0.000 0.288 572 L C -0.837 176.004 176.870 -0.048 0.000 1.051 572 L CA 0.087 54.918 54.840 -0.015 0.000 0.824 572 L CB 0.609 42.683 42.059 0.025 0.000 1.206 572 L HN 0.592 nan 8.230 nan 0.000 0.429 573 L N 5.723 126.878 121.223 -0.113 0.000 2.290 573 L HA 0.390 4.730 4.340 -0.000 0.000 0.284 573 L C -0.056 176.798 176.870 -0.025 0.000 1.078 573 L CA 0.225 54.968 54.840 -0.162 0.000 0.815 573 L CB 0.999 42.850 42.059 -0.347 0.000 1.162 573 L HN 0.557 nan 8.230 nan 0.000 0.435 574 L N 4.539 125.786 121.223 0.040 0.000 2.469 574 L HA 0.451 4.791 4.340 -0.000 0.000 0.253 574 L C -2.006 175.000 176.870 0.227 0.000 1.143 574 L CA -2.104 52.807 54.840 0.119 0.000 0.804 574 L CB 0.096 42.210 42.059 0.091 0.000 1.214 574 L HN 0.367 nan 8.230 nan 0.000 0.476 575 P HA 0.154 nan 4.420 nan 0.000 0.265 575 P C -0.171 177.216 177.300 0.145 0.000 1.187 575 P CA 0.481 63.678 63.100 0.163 0.000 0.766 575 P CB 0.515 32.267 31.700 0.086 0.000 0.820 576 G N 0.630 109.471 108.800 0.068 0.000 2.368 576 G HA2 0.241 4.201 3.960 -0.000 0.000 0.302 576 G HA3 0.241 4.201 3.960 -0.000 0.000 0.302 576 G C -1.451 173.237 174.900 -0.354 0.000 1.329 576 G CA -0.608 44.373 45.100 -0.199 0.000 0.935 576 G HN 0.341 nan 8.290 nan 0.000 0.590 577 S N -0.227 115.149 115.700 -0.540 0.000 2.454 577 S HA 0.805 5.275 4.470 -0.000 0.000 0.306 577 S C -1.299 172.943 174.600 -0.596 0.000 1.100 577 S CA -0.346 57.635 58.200 -0.365 0.000 1.087 577 S CB 0.831 63.940 63.200 -0.152 0.000 1.019 577 S HN 0.491 nan 8.310 nan 0.000 0.480 578 Y N 0.340 120.644 120.300 0.006 0.000 2.499 578 Y HA 0.500 5.050 4.550 -0.000 0.000 0.347 578 Y C 0.630 176.562 175.900 0.054 0.000 0.987 578 Y CA -1.000 57.111 58.100 0.018 0.000 1.044 578 Y CB 1.458 39.909 38.460 -0.014 0.000 1.245 578 Y HN 0.442 nan 8.280 nan 0.000 0.461 579 T N 2.646 117.341 114.554 0.234 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 62.033 62.100 0.223 0.000 1.030 579 T CB -0.293 68.662 68.868 0.145 0.000 0.912 579 T HN 0.635 nan 8.240 nan 0.000 0.483 580 Y N 4.441 124.875 120.300 0.224 0.000 2.345 580 Y HA 0.498 5.048 4.550 0.000 0.000 0.331 580 Y C -0.198 175.949 175.900 0.413 0.000 0.959 580 Y CA -0.898 57.382 58.100 0.299 0.000 1.204 580 Y CB 0.803 39.411 38.460 0.247 0.000 1.135 580 Y HN 0.689 nan 8.280 nan 0.000 0.477 581 E N 6.693 127.114 120.200 0.369 0.000 2.293 581 E HA 0.251 4.601 4.350 -0.000 0.000 0.270 581 E C -1.988 174.687 176.600 0.125 0.000 0.879 581 E CA -0.607 55.901 56.400 0.179 0.000 0.756 581 E CB 1.851 31.583 29.700 0.053 0.000 1.208 581 E HN 0.724 nan 8.360 nan 0.000 0.428 582 W N 2.663 123.858 121.300 -0.175 0.000 3.118 582 W HA 0.398 5.058 4.660 -0.000 0.000 0.328 582 W C -1.198 175.119 176.519 -0.337 0.000 1.239 582 W CA -0.622 56.520 57.345 -0.339 0.000 1.176 582 W CB 2.209 31.320 29.460 -0.582 0.000 1.433 582 W HN 0.526 nan 8.180 nan 0.000 0.562 583 N N 2.037 120.494 118.700 -0.406 0.000 2.361 583 N HA 0.503 5.243 4.740 -0.000 0.000 0.302 583 N C -1.536 173.915 175.510 -0.099 0.000 1.074 583 N CA -0.244 52.729 53.050 -0.129 0.000 0.850 583 N CB 1.781 40.130 38.487 -0.232 0.000 1.228 583 N HN 0.041 nan 8.380 nan 0.000 0.491 584 F N 0.506 120.638 119.950 0.303 0.000 2.532 584 F HA 0.470 4.997 4.527 0.000 0.000 0.321 584 F C 0.984 177.003 175.800 0.366 0.000 1.089 584 F CA -0.873 57.257 58.000 0.217 0.000 0.926 584 F CB 1.462 40.426 39.000 -0.060 0.000 1.168 584 F HN 0.037 nan 8.300 nan 0.000 0.459 585 R N 1.596 122.289 120.500 0.321 0.000 2.531 585 R HA 0.367 4.707 4.340 -0.000 0.000 0.273 585 R C 0.355 176.937 176.300 0.471 0.000 1.070 585 R CA -0.503 55.769 56.100 0.286 0.000 1.112 585 R CB 1.153 31.427 30.300 -0.042 0.000 1.049 585 R HN 0.701 nan 8.270 nan 0.000 0.508 586 K N 0.435 121.080 120.400 0.409 0.000 2.402 586 K HA 0.020 4.340 4.320 -0.000 0.000 0.203 586 K C -0.337 176.389 176.600 0.210 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 0.476 nan 8.250 nan 0.000 0.554 587 D N 2.099 122.666 120.400 0.278 0.000 2.363 587 D HA -0.044 4.596 4.640 -0.000 0.000 0.263 587 D C 1.375 177.775 176.300 0.167 0.000 1.258 587 D CA -0.079 54.083 54.000 0.270 0.000 0.907 587 D CB 1.218 42.199 40.800 0.301 0.000 1.107 587 D HN -0.046 nan 8.370 nan 0.000 0.495 588 V N 2.299 122.282 119.914 0.115 0.000 2.568 588 V HA -0.211 3.909 4.120 -0.000 0.000 0.253 588 V C 1.585 177.708 176.094 0.048 0.000 1.072 588 V CA 1.355 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 -0.300 118.454 118.700 0.090 0.000 2.459 589 N HA 0.064 4.804 4.740 -0.000 0.000 0.181 589 N C 1.526 177.169 175.510 0.222 0.000 1.046 589 N CA 1.296 54.407 53.050 0.101 0.000 0.904 589 N CB -0.034 38.512 38.487 0.098 0.000 0.964 589 N HN 0.457 nan 8.380 nan 0.000 0.444 590 M N -0.624 119.087 119.600 0.187 0.000 2.718 590 M HA 0.096 4.576 4.480 -0.000 0.000 0.259 590 M C 2.056 178.444 176.300 0.146 0.000 1.240 590 M CA 0.646 56.040 55.300 0.157 0.000 1.210 590 M CB -0.818 31.828 32.600 0.077 0.000 1.281 590 M HN 0.005 nan 8.290 nan 0.000 0.515 591 V N -1.487 118.522 119.914 0.157 0.000 2.951 591 V HA 0.158 4.278 4.120 -0.000 0.000 0.255 591 V C 1.049 177.256 176.094 0.188 0.000 1.088 591 V CA 0.459 62.898 62.300 0.232 0.000 1.109 591 V CB -0.500 31.508 31.823 0.308 0.000 0.724 591 V HN 0.188 nan 8.190 nan 0.000 0.471 592 L N 0.850 122.098 121.223 0.042 0.000 2.334 592 L HA 0.640 4.980 4.340 -0.000 0.000 0.270 592 L C -0.377 176.471 176.870 -0.038 0.000 1.018 592 L CA -0.395 54.397 54.840 -0.081 0.000 0.811 592 L CB 1.777 43.727 42.059 -0.183 0.000 1.271 592 L HN 0.267 nan 8.230 nan 0.000 0.443 593 Q N 1.063 120.828 119.800 -0.058 0.000 2.331 593 Q HA 0.525 4.865 4.340 -0.000 0.000 0.272 593 Q C -1.475 174.510 176.000 -0.026 0.000 1.062 593 Q CA -0.539 55.243 55.803 -0.035 0.000 0.806 593 Q CB 2.585 31.331 28.738 0.013 0.000 1.312 593 Q HN 0.771 nan 8.270 nan 0.000 0.431 594 S N 0.600 116.278 115.700 -0.036 0.000 2.600 594 S HA 0.403 4.873 4.470 -0.000 0.000 0.300 594 S C 0.565 175.205 174.600 0.066 0.000 1.087 594 S CA -0.079 58.133 58.200 0.020 0.000 0.965 594 S CB 1.702 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 0.975 116.765 115.700 0.150 0.000 2.436 595 S HA 0.010 4.480 4.470 -0.000 0.000 0.228 595 S C 1.361 176.070 174.600 0.182 0.000 1.014 595 S CA 0.247 58.570 58.200 0.204 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 1.514 122.810 121.223 0.121 0.000 2.375 596 L HA 0.390 4.730 4.340 -0.000 0.000 0.215 596 L C 1.935 178.840 176.870 0.059 0.000 1.108 596 L CA 1.162 56.057 54.840 0.092 0.000 0.830 596 L CB -1.282 40.817 42.059 0.067 0.000 0.959 596 L HN 0.591 nan 8.230 nan 0.000 0.457 597 G N 0.137 108.926 108.800 -0.018 0.000 2.143 597 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.248 597 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.248 597 G C 0.390 175.212 174.900 -0.130 0.000 0.991 597 G CA 0.461 45.456 45.100 -0.176 0.000 0.689 597 G HN 0.554 nan 8.290 nan 0.000 0.522 598 N N 0.502 119.177 118.700 -0.042 0.000 2.371 598 N HA 0.239 4.979 4.740 -0.000 0.000 0.243 598 N C -0.381 175.091 175.510 -0.063 0.000 1.287 598 N CA -0.049 52.995 53.050 -0.011 0.000 0.911 598 N CB 0.607 39.130 38.487 0.059 0.000 1.142 598 N HN 0.116 nan 8.380 nan 0.000 0.451 599 D N 0.581 120.956 120.400 -0.041 0.000 2.348 599 D HA 0.070 4.710 4.640 -0.000 0.000 0.259 599 D C 1.035 177.309 176.300 -0.042 0.000 1.296 599 D CA -0.206 53.759 54.000 -0.058 0.000 0.931 599 D CB 0.019 40.797 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 -0.065 4.275 4.340 -0.000 0.000 0.219 600 L C 2.403 179.261 176.870 -0.021 0.000 1.134 600 L CA 0.447 55.258 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 -0.617 119.882 120.500 -0.001 0.000 2.090 601 R HA -0.057 4.283 4.340 -0.000 0.000 0.228 601 R C 2.176 178.489 176.300 0.022 0.000 1.110 601 R CA 0.973 57.091 56.100 0.031 0.000 0.973 601 R CB -0.448 29.891 30.300 0.064 0.000 0.869 601 R HN 0.203 nan 8.270 nan 0.000 0.440 602 V N 1.557 121.479 119.914 0.012 0.000 2.535 602 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 602 V C 0.803 176.901 176.094 0.006 0.000 1.045 602 V CA 1.458 63.765 62.300 0.012 0.000 1.058 602 V CB -0.196 31.632 31.823 0.009 0.000 0.689 602 V HN 0.165 nan 8.190 nan 0.000 0.461 603 D N 0.513 120.911 120.400 -0.003 0.000 2.519 603 D HA 0.230 4.870 4.640 -0.000 0.000 0.238 603 D C 1.614 177.896 176.300 -0.031 0.000 1.192 603 D CA 0.874 54.866 54.000 -0.013 0.000 0.835 603 D CB -0.084 40.706 40.800 -0.015 0.000 0.975 603 D HN 0.456 nan 8.370 nan 0.000 0.490 604 G N 0.609 109.399 108.800 -0.017 0.000 2.166 604 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 604 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 604 G C 0.644 175.524 174.900 -0.033 0.000 0.986 604 G CA 0.305 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 -0.547 122.244 122.820 -0.049 0.000 2.462 605 A HA 0.743 5.063 4.320 -0.000 0.000 0.243 605 A C 0.656 178.211 177.584 -0.049 0.000 1.076 605 A CA 1.103 53.096 52.037 -0.074 0.000 0.773 605 A CB 0.902 19.845 19.000 -0.094 0.000 1.010 605 A HN 1.645 nan 8.150 nan 0.000 0.493 606 S N 0.922 116.589 115.700 -0.055 0.000 2.541 606 S HA 0.721 5.191 4.470 -0.000 0.000 0.271 606 S C -1.145 173.426 174.600 -0.049 0.000 1.133 606 S CA -0.519 57.660 58.200 -0.034 0.000 0.876 606 S CB 0.918 64.115 63.200 -0.005 0.000 1.105 606 S HN 1.006 nan 8.310 nan 0.000 0.470 607 I N 2.837 123.366 120.570 -0.068 0.000 2.722 607 I HA 0.604 4.774 4.170 -0.000 0.000 0.295 607 I C -1.565 174.434 176.117 -0.197 0.000 1.161 607 I CA -0.565 60.676 61.300 -0.099 0.000 1.032 607 I CB 1.891 39.795 38.000 -0.161 0.000 1.244 607 I HN 0.733 nan 8.210 nan 0.000 0.421 608 K N 6.666 126.963 120.400 -0.172 0.000 2.468 608 K HA 0.492 4.812 4.320 -0.000 0.000 0.252 608 K C -1.992 174.465 176.600 -0.239 0.000 0.932 608 K CA -0.516 55.634 56.287 -0.228 0.000 0.794 608 K CB 1.577 34.024 32.500 -0.089 0.000 1.241 608 K HN 0.491 nan 8.250 nan 0.000 0.428 609 F N 3.783 123.672 119.950 -0.100 0.000 2.371 609 F HA 0.165 4.692 4.527 0.000 0.000 0.363 609 F C 0.943 176.568 175.800 -0.291 0.000 1.122 609 F CA -0.739 57.083 58.000 -0.296 0.000 1.129 609 F CB 1.259 39.819 39.000 -0.733 0.000 1.173 609 F HN 0.635 nan 8.300 nan 0.000 0.489 610 D N 0.993 121.357 120.400 -0.059 0.000 2.149 610 D HA -0.042 4.598 4.640 -0.000 0.000 0.206 610 D C 0.738 177.017 176.300 -0.035 0.000 0.967 610 D CA 1.148 55.114 54.000 -0.057 0.000 0.848 610 D CB 0.297 41.035 40.800 -0.102 0.000 0.998 610 D HN 0.443 nan 8.370 nan 0.000 0.474 611 S N -0.655 115.000 115.700 -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 -0.052 0.000 1.142 611 S CA -0.985 57.198 58.200 -0.029 0.000 0.870 611 S CB 2.181 65.371 63.200 -0.016 0.000 1.112 611 S HN 0.120 nan 8.310 nan 0.000 0.466 612 I N 1.830 122.416 120.570 0.027 0.000 2.534 612 I HA 0.700 4.870 4.170 -0.000 0.000 0.288 612 I C -1.309 174.986 176.117 0.297 0.000 1.077 612 I CA -0.365 60.974 61.300 0.064 0.000 1.051 612 I CB 1.124 39.067 38.000 -0.095 0.000 1.234 612 I HN 0.966 nan 8.210 nan 0.000 0.425 613 C N 5.947 125.436 119.300 0.316 0.000 2.771 613 C HA 0.709 5.169 4.460 -0.000 0.000 0.333 613 C C -0.668 174.426 174.990 0.174 0.000 1.267 613 C CA -0.641 58.573 59.018 0.327 0.000 1.721 613 C CB 1.768 29.622 27.740 0.191 0.000 2.222 613 C HN 0.668 nan 8.230 nan 0.000 0.485 614 L N 1.637 122.794 121.223 -0.111 0.000 2.333 614 L HA 0.621 4.961 4.340 -0.000 0.000 0.280 614 L C -1.476 175.283 176.870 -0.185 0.000 1.004 614 L CA -0.039 54.631 54.840 -0.284 0.000 0.820 614 L CB 0.452 42.077 42.059 -0.725 0.000 1.247 614 L HN 0.664 nan 8.230 nan 0.000 0.416 615 Y N 3.578 123.690 120.300 -0.313 0.000 2.446 615 Y HA 0.829 5.379 4.550 -0.000 0.000 0.338 615 Y C 0.134 175.851 175.900 -0.306 0.000 1.055 615 Y CA -0.328 57.562 58.100 -0.349 0.000 1.101 615 Y CB 2.297 40.336 38.460 -0.702 0.000 1.221 615 Y HN 0.777 nan 8.280 nan 0.000 0.460 616 A N 1.589 124.457 122.820 0.079 0.000 2.459 616 A HA 0.732 5.052 4.320 -0.000 0.000 0.296 616 A C -1.134 176.510 177.584 0.099 0.000 1.039 616 A CA -0.694 51.357 52.037 0.025 0.000 0.698 616 A CB 1.112 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 2.073 116.613 114.554 -0.024 0.000 2.823 617 T HA 0.675 5.025 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 0.082 62.256 62.100 0.124 0.000 0.994 617 T CB 0.323 69.274 68.868 0.137 0.000 0.960 617 T HN 0.330 nan 8.240 nan 0.000 0.448 618 F N 1.937 121.957 119.950 0.116 0.000 2.482 618 F HA 0.507 5.034 4.527 -0.000 0.000 0.331 618 F C 0.042 175.937 175.800 0.159 0.000 1.115 618 F CA -1.854 56.231 58.000 0.142 0.000 0.955 618 F CB 0.910 39.987 39.000 0.129 0.000 1.136 618 F HN 0.531 nan 8.300 nan 0.000 0.452 619 F N 6.328 126.409 119.950 0.217 0.000 2.578 619 F HA 0.242 4.769 4.527 0.000 0.000 0.376 619 F C -1.600 174.303 175.800 0.172 0.000 1.085 619 F CA -1.880 56.210 58.000 0.151 0.000 1.260 619 F CB 0.703 39.768 39.000 0.108 0.000 1.095 619 F HN 0.242 nan 8.300 nan 0.000 0.573 620 P HA 0.003 nan 4.420 nan 0.000 0.225 620 P C -0.263 177.043 177.300 0.010 0.000 1.768 620 P CA 0.004 63.054 63.100 -0.084 0.000 0.943 620 P CB -0.127 31.465 31.700 -0.180 0.000 1.936 621 M N 1.512 121.323 119.600 0.351 0.000 2.249 621 M HA 0.243 4.723 4.480 -0.000 0.000 0.340 621 M C 0.309 176.769 176.300 0.266 0.000 1.166 621 M CA -0.113 55.461 55.300 0.457 0.000 1.115 621 M CB 0.637 33.522 32.600 0.474 0.000 1.606 621 M HN 0.162 nan 8.290 nan 0.000 0.448 622 A N 3.695 126.634 122.820 0.199 0.000 2.540 622 A HA 0.000 4.320 4.320 -0.000 0.000 0.239 622 A C 0.536 178.246 177.584 0.210 0.000 1.061 622 A CA -0.144 51.957 52.037 0.105 0.000 0.758 622 A CB -0.067 18.990 19.000 0.095 0.000 0.991 622 A HN 1.013 nan 8.150 nan 0.000 0.502 623 H N 2.317 121.433 119.070 0.077 0.000 2.422 623 H HA -0.153 4.403 4.556 -0.000 0.000 0.298 623 H C 2.033 177.399 175.328 0.062 0.000 1.098 623 H CA 2.025 58.113 56.048 0.066 0.000 1.315 623 H CB -0.110 29.682 29.762 0.050 0.000 1.382 623 H HN 0.894 nan 8.280 nan 0.000 0.523 624 N N 0.259 119.069 118.700 0.184 0.000 2.188 624 N HA -0.101 4.639 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 1.604 54.727 53.050 0.122 0.000 0.858 624 N CB -0.789 37.757 38.487 0.099 0.000 0.989 624 N HN 0.204 nan 8.380 nan 0.000 0.426 625 T N 1.217 115.839 114.554 0.113 0.000 2.737 625 T HA 0.097 4.447 4.350 -0.000 0.000 0.265 625 T C 2.203 176.958 174.700 0.093 0.000 1.038 625 T CA 1.585 63.741 62.100 0.093 0.000 1.144 625 T CB -0.491 68.434 68.868 0.095 0.000 0.866 625 T HN 0.488 nan 8.240 nan 0.000 0.434 626 A N 1.311 124.208 122.820 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 54.304 52.037 0.117 0.000 0.627 626 A CB -1.154 17.942 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 2.042 176.671 174.600 0.047 0.000 1.033 627 S CA 2.305 60.538 58.200 0.055 0.000 1.011 627 S CB -0.606 62.627 63.200 0.056 0.000 0.852 627 S HN 0.609 nan 8.310 nan 0.000 0.457 628 T N 2.357 116.942 114.554 0.051 0.000 2.812 628 T HA 0.012 4.362 4.350 -0.000 0.000 0.264 628 T C 1.681 176.400 174.700 0.032 0.000 1.042 628 T CA 1.288 63.413 62.100 0.040 0.000 1.140 628 T CB -0.446 68.447 68.868 0.042 0.000 0.870 628 T HN 0.354 nan 8.240 nan 0.000 0.445 629 L N 1.633 122.877 121.223 0.035 0.000 2.083 629 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 629 L C 2.417 179.302 176.870 0.024 0.000 1.083 629 L CA 1.918 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 -0.366 119.853 120.200 0.032 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 1.219 57.636 56.400 0.029 0.000 0.800 630 E CB -0.240 29.482 29.700 0.037 0.000 0.746 630 E HN 0.587 nan 8.360 nan 0.000 0.452 631 A N 1.095 123.925 122.820 0.018 0.000 1.908 631 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 631 A C 2.266 179.854 177.584 0.006 0.000 1.181 631 A CA 1.863 53.906 52.037 0.011 0.000 0.627 631 A CB -0.547 18.463 19.000 0.017 0.000 0.818 631 A HN 0.351 nan 8.150 nan 0.000 0.445 632 M N -0.692 118.914 119.600 0.010 0.000 2.132 632 M HA -0.053 4.427 4.480 -0.000 0.000 0.263 632 M C 1.831 178.134 176.300 0.006 0.000 1.065 632 M CA 1.265 56.570 55.300 0.008 0.000 1.122 632 M CB -0.446 32.158 32.600 0.007 0.000 1.365 632 M HN 0.326 nan 8.290 nan 0.000 0.411 633 L N -0.654 120.572 121.223 0.005 0.000 2.551 633 L HA -0.088 4.252 4.340 -0.000 0.000 0.228 633 L C 2.159 179.027 176.870 -0.003 0.000 1.153 633 L CA 0.501 55.344 54.840 0.005 0.000 0.851 633 L CB -0.468 41.596 42.059 0.008 0.000 0.959 633 L HN 0.264 nan 8.230 nan 0.000 0.451 634 R N -0.429 120.059 120.500 -0.019 0.000 2.297 634 R HA 0.080 4.420 4.340 -0.000 0.000 0.197 634 R C 0.051 176.330 176.300 -0.035 0.000 0.943 634 R CA -0.087 55.973 56.100 -0.067 0.000 1.038 634 R CB 0.083 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 1.645 120.356 118.700 0.019 0.000 2.514 635 N HA -0.026 4.714 4.740 -0.000 0.000 0.277 635 N C 0.146 175.724 175.510 0.113 0.000 1.126 635 N CA 0.110 53.195 53.050 0.059 0.000 0.978 635 N CB 1.331 39.836 38.487 0.030 0.000 1.106 635 N HN 0.111 nan 8.380 nan 0.000 0.461 636 D N -0.353 120.138 120.400 0.151 0.000 2.221 636 D HA -0.184 4.456 4.640 -0.000 0.000 0.204 636 D C 1.501 177.802 176.300 0.002 0.000 0.982 636 D CA 1.176 55.208 54.000 0.053 0.000 0.857 636 D CB -0.222 40.469 40.800 -0.182 0.000 0.934 636 D HN 0.522 nan 8.370 nan 0.000 0.475 637 T N -0.543 114.013 114.554 0.003 0.000 2.833 637 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 637 T C 1.016 175.711 174.700 -0.010 0.000 1.054 637 T CA 1.017 63.110 62.100 -0.011 0.000 1.135 637 T CB -0.356 68.507 68.868 -0.008 0.000 0.869 637 T HN 0.041 nan 8.240 nan 0.000 0.466 638 N N 1.982 120.686 118.700 0.006 0.000 2.320 638 N HA 0.163 4.903 4.740 -0.000 0.000 0.237 638 N C -0.866 174.647 175.510 0.004 0.000 1.129 638 N CA -0.161 52.887 53.050 -0.002 0.000 0.854 638 N CB 0.172 38.659 38.487 0.001 0.000 1.083 638 N HN 0.480 nan 8.380 nan 0.000 0.504 639 D N 1.333 121.743 120.400 0.015 0.000 2.423 639 D HA 0.039 4.679 4.640 -0.000 0.000 0.238 639 D C 0.761 177.036 176.300 -0.042 0.000 1.142 639 D CA 0.547 54.564 54.000 0.029 0.000 0.884 639 D CB 1.155 41.973 40.800 0.031 0.000 1.199 639 D HN 0.128 nan 8.370 nan 0.000 0.438 640 Q N 0.155 119.926 119.800 -0.048 0.000 2.312 640 Q HA 0.513 4.853 4.340 -0.000 0.000 0.236 640 Q C -0.336 175.487 176.000 -0.296 0.000 0.965 640 Q CA -0.457 55.233 55.803 -0.188 0.000 0.894 640 Q CB 1.227 29.921 28.738 -0.073 0.000 1.225 640 Q HN 0.512 nan 8.270 nan 0.000 0.478 641 S N 0.391 115.689 115.700 -0.671 0.000 2.533 641 S HA 0.759 5.229 4.470 -0.000 0.000 0.271 641 S C -1.373 172.721 174.600 -0.844 0.000 1.143 641 S CA -0.849 57.046 58.200 -0.507 0.000 0.891 641 S CB 0.788 63.849 63.200 -0.231 0.000 1.105 641 S HN 0.411 nan 8.310 nan 0.000 0.468 642 F N 1.417 121.404 119.950 0.063 0.000 2.613 642 F HA 0.660 5.187 4.527 0.000 0.000 0.314 642 F C -0.145 175.781 175.800 0.209 0.000 1.075 642 F CA -0.777 57.300 58.000 0.129 0.000 0.945 642 F CB 1.910 40.998 39.000 0.148 0.000 1.310 642 F HN 0.830 nan 8.300 nan 0.000 0.467 643 N N -0.146 118.739 118.700 0.308 0.000 2.229 643 N HA 0.268 5.008 4.740 -0.000 0.000 0.298 643 N C -1.866 173.520 175.510 -0.207 0.000 1.114 643 N CA -0.612 52.449 53.050 0.018 0.000 0.776 643 N CB 2.289 40.778 38.487 0.004 0.000 1.501 643 N HN 0.631 nan 8.380 nan 0.000 0.474 644 D N 0.248 120.146 120.400 -0.837 0.000 2.424 644 D HA -0.012 4.628 4.640 -0.000 0.000 0.244 644 D C 0.904 177.047 176.300 -0.260 0.000 1.134 644 D CA -0.111 53.472 54.000 -0.695 0.000 0.881 644 D CB 0.564 40.779 40.800 -0.974 0.000 1.191 644 D HN 0.500 nan 8.370 nan 0.000 0.445 645 Y N 3.622 123.812 120.300 -0.184 0.000 2.145 645 Y HA -0.163 4.387 4.550 0.000 0.000 0.286 645 Y C 1.745 177.548 175.900 -0.161 0.000 1.145 645 Y CA 1.441 59.459 58.100 -0.136 0.000 1.148 645 Y CB -0.255 38.149 38.460 -0.093 0.000 0.981 645 Y HN 0.531 nan 8.280 nan 0.000 0.507 646 L N 0.524 121.711 121.223 -0.059 0.000 2.083 646 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 646 L C 1.128 177.848 176.870 -0.250 0.000 1.083 646 L CA 1.752 56.511 54.840 -0.135 0.000 0.752 646 L CB -0.846 41.187 42.059 -0.045 0.000 0.899 646 L HN 0.217 nan 8.230 nan 0.000 0.433 647 S N -0.053 115.485 115.700 -0.271 0.000 3.356 647 S HA 0.011 4.481 4.470 -0.000 0.000 0.376 647 S C 0.056 174.514 174.600 -0.236 0.000 0.924 647 S CA 0.497 58.518 58.200 -0.298 0.000 1.316 647 S CB -1.626 61.333 63.200 -0.402 0.000 0.922 647 S HN 0.944 nan 8.310 nan 0.000 0.553 648 A N 0.552 123.279 122.820 -0.155 0.000 2.612 648 A HA 0.867 5.187 4.320 -0.000 0.000 0.293 648 A C -0.518 177.025 177.584 -0.068 0.000 1.075 648 A CA -0.089 51.881 52.037 -0.111 0.000 0.680 648 A CB 1.067 20.009 19.000 -0.098 0.000 1.279 648 A HN 1.501 nan 8.150 nan 0.000 0.411 649 A N 1.616 124.359 122.820 -0.128 0.000 2.274 649 A HA 0.637 4.957 4.320 -0.000 0.000 0.309 649 A C -0.390 177.218 177.584 0.039 0.000 1.226 649 A CA -0.632 51.308 52.037 -0.161 0.000 0.853 649 A CB 0.100 18.700 19.000 -0.668 0.000 1.146 649 A HN 0.670 nan 8.150 nan 0.000 0.518 650 N N 3.278 122.071 118.700 0.155 0.000 2.425 650 N HA 0.425 5.165 4.740 -0.000 0.000 0.268 650 N C -0.912 174.781 175.510 0.305 0.000 0.991 650 N CA -0.229 53.027 53.050 0.343 0.000 0.931 650 N CB 1.412 40.148 38.487 0.415 0.000 1.130 650 N HN 0.531 nan 8.380 nan 0.000 0.493 651 M N 2.496 122.338 119.600 0.402 0.000 2.456 651 M HA 0.508 4.988 4.480 -0.000 0.000 0.324 651 M C -0.544 175.843 176.300 0.145 0.000 1.124 651 M CA -0.548 54.882 55.300 0.217 0.000 0.959 651 M CB 1.787 34.634 32.600 0.412 0.000 1.692 651 M HN 0.249 nan 8.290 nan 0.000 0.444 652 L N 3.049 124.152 121.223 -0.201 0.000 2.376 652 L HA 0.534 4.874 4.340 -0.000 0.000 0.275 652 L C -1.596 175.048 176.870 -0.376 0.000 0.987 652 L CA -0.645 54.108 54.840 -0.145 0.000 0.828 652 L CB 1.660 43.620 42.059 -0.165 0.000 1.249 652 L HN 0.563 nan 8.230 nan 0.000 0.409 653 Y N 3.444 123.783 120.300 0.066 0.000 2.341 653 Y HA 0.428 4.978 4.550 -0.000 0.000 0.338 653 Y C -2.118 173.788 175.900 0.010 0.000 0.965 653 Y CA -2.664 55.461 58.100 0.041 0.000 1.108 653 Y CB 1.564 40.051 38.460 0.045 0.000 1.180 653 Y HN 0.354 nan 8.280 nan 0.000 0.458 654 P HA 0.205 nan 4.420 nan 0.000 0.271 654 P C -0.561 176.773 177.300 0.056 0.000 1.216 654 P CA 0.219 63.355 63.100 0.059 0.000 0.771 654 P CB 1.415 33.134 31.700 0.032 0.000 0.864 655 I N 4.724 125.308 120.570 0.022 0.000 2.437 655 I HA 0.257 4.427 4.170 -0.000 0.000 0.279 655 I C -2.278 173.834 176.117 -0.008 0.000 1.028 655 I CA -2.775 58.525 61.300 0.001 0.000 1.142 655 I CB 1.644 39.626 38.000 -0.029 0.000 1.266 655 I HN 0.062 nan 8.210 nan 0.000 0.461 656 P HA -0.017 nan 4.420 nan 0.000 0.267 656 P C -0.069 177.223 177.300 -0.013 0.000 1.201 656 P CA -0.124 62.971 63.100 -0.007 0.000 0.775 656 P CB 0.576 32.274 31.700 -0.003 0.000 0.854 657 A N 2.878 125.690 122.820 -0.012 0.000 2.567 657 A HA -0.020 4.300 4.320 -0.000 0.000 0.240 657 A C 0.914 178.492 177.584 -0.010 0.000 1.053 657 A CA 0.801 52.831 52.037 -0.011 0.000 0.755 657 A CB -1.382 17.614 19.000 -0.007 0.000 0.978 657 A HN 0.829 nan 8.150 nan 0.000 0.507 658 N N -0.834 117.860 118.700 -0.011 0.000 2.900 658 N HA -0.222 4.518 4.740 -0.000 0.000 0.240 658 N C 0.372 175.874 175.510 -0.014 0.000 0.953 658 N CA 0.541 53.585 53.050 -0.010 0.000 0.950 658 N CB -1.511 36.975 38.487 -0.002 0.000 1.102 658 N HN 1.221 nan 8.380 nan 0.000 0.593 659 A N 0.084 122.893 122.820 -0.017 0.000 2.483 659 A HA 0.369 4.689 4.320 -0.000 0.000 0.238 659 A C 1.204 178.772 177.584 -0.027 0.000 1.070 659 A CA 1.020 53.047 52.037 -0.017 0.000 0.770 659 A CB 0.496 19.488 19.000 -0.014 0.000 1.008 659 A HN 0.231 nan 8.150 nan 0.000 0.497 660 T N 0.617 115.158 114.554 -0.022 0.000 2.964 660 T HA 0.123 4.473 4.350 -0.000 0.000 0.249 660 T C 0.536 175.224 174.700 -0.021 0.000 1.000 660 T CA 0.358 62.441 62.100 -0.028 0.000 0.992 660 T CB -0.122 68.733 68.868 -0.021 0.000 1.087 660 T HN 0.711 nan 8.240 nan 0.000 0.489 661 N N 1.169 119.863 118.700 -0.010 0.000 2.392 661 N HA 0.463 5.203 4.740 -0.000 0.000 0.283 661 N C -1.469 174.049 175.510 0.013 0.000 1.003 661 N CA -0.264 52.787 53.050 0.001 0.000 0.892 661 N CB 1.484 39.969 38.487 -0.003 0.000 1.193 661 N HN -0.156 nan 8.380 nan 0.000 0.487 662 V N 5.678 125.615 119.914 0.039 0.000 2.340 662 V HA 0.471 4.591 4.120 -0.000 0.000 0.277 662 V C -2.281 173.855 176.094 0.072 0.000 1.017 662 V CA -1.217 61.111 62.300 0.046 0.000 0.820 662 V CB 1.232 33.072 31.823 0.029 0.000 1.028 662 V HN 0.668 nan 8.190 nan 0.000 0.436 663 P HA 0.589 nan 4.420 nan 0.000 0.300 663 P C -0.790 176.500 177.300 -0.016 0.000 1.326 663 P CA -0.390 62.718 63.100 0.014 0.000 0.844 663 P CB 2.193 33.896 31.700 0.006 0.000 0.992 664 I N -0.770 119.773 120.570 -0.046 0.000 2.740 664 I HA 0.760 4.930 4.170 -0.000 0.000 0.303 664 I C -0.915 175.194 176.117 -0.013 0.000 1.044 664 I CA -0.960 60.268 61.300 -0.120 0.000 1.064 664 I CB 2.546 40.282 38.000 -0.440 0.000 1.249 664 I HN 0.174 nan 8.210 nan 0.000 0.433 665 S N 5.473 121.202 115.700 0.048 0.000 2.614 665 S HA 0.639 5.109 4.470 -0.000 0.000 0.288 665 S C -0.922 173.755 174.600 0.128 0.000 1.137 665 S CA -0.648 57.600 58.200 0.080 0.000 0.992 665 S CB 1.236 64.473 63.200 0.063 0.000 1.026 665 S HN 0.498 nan 8.310 nan 0.000 0.486 666 I N 6.724 127.381 120.570 0.144 0.000 2.330 666 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 666 I C -2.041 174.146 176.117 0.116 0.000 1.001 666 I CA -2.609 58.775 61.300 0.141 0.000 1.193 666 I CB 0.998 39.129 38.000 0.218 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 0.187 177.519 177.300 0.053 0.000 1.209 667 P CA -0.092 63.037 63.100 0.048 0.000 0.776 667 P CB 0.667 32.376 31.700 0.016 0.000 0.876 668 S N 2.385 118.133 115.700 0.081 0.000 3.116 668 S HA -0.061 4.409 4.470 -0.000 0.000 0.367 668 S C 0.469 175.088 174.600 0.031 0.000 1.202 668 S CA 0.352 58.617 58.200 0.109 0.000 1.018 668 S CB -0.585 62.652 63.200 0.063 0.000 0.726 668 S HN 0.728 nan 8.310 nan 0.000 0.506 669 R N 3.005 123.532 120.500 0.045 0.000 2.844 669 R HA 0.525 4.865 4.340 -0.000 0.000 0.264 669 R C -1.200 174.986 176.300 -0.189 0.000 1.077 669 R CA -1.079 54.907 56.100 -0.190 0.000 0.953 669 R CB 0.296 30.292 30.300 -0.506 0.000 1.272 669 R HN 0.508 nan 8.270 nan 0.000 0.447 670 N N -0.560 117.951 118.700 -0.315 0.000 2.499 670 N HA 0.249 4.989 4.740 -0.000 0.000 0.281 670 N C -1.015 174.257 175.510 -0.396 0.000 1.098 670 N CA -0.543 52.407 53.050 -0.167 0.000 0.979 670 N CB 0.646 39.076 38.487 -0.094 0.000 1.121 670 N HN 0.561 nan 8.380 nan 0.000 0.466 671 W N 2.327 123.652 121.300 0.042 0.000 2.862 671 W HA 0.488 5.148 4.660 -0.000 0.000 0.376 671 W C 0.539 177.112 176.519 0.090 0.000 1.028 671 W CA -0.534 56.812 57.345 0.003 0.000 1.757 671 W CB -0.241 29.211 29.460 -0.014 0.000 1.128 671 W HN 0.499 nan 8.180 nan 0.000 0.566 672 A N 1.067 124.044 122.820 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 53.431 52.037 0.217 0.000 0.755 672 A CB -0.084 19.004 19.000 0.146 0.000 0.980 672 A HN 1.181 nan 8.150 nan 0.000 0.506 673 A N 1.215 124.154 122.820 0.199 0.000 3.396 673 A HA -0.196 4.124 4.320 -0.000 0.000 0.267 673 A C 0.390 178.173 177.584 0.333 0.000 1.139 673 A CA 0.940 53.121 52.037 0.240 0.000 1.115 673 A CB -2.596 16.516 19.000 0.187 0.000 1.133 673 A HN 2.039 nan 8.150 nan 0.000 0.920 674 F N 1.429 121.444 119.950 0.109 0.000 2.608 674 F HA 0.380 4.907 4.527 -0.000 0.000 0.380 674 F C 1.307 177.097 175.800 -0.016 0.000 1.083 674 F CA 0.604 58.605 58.000 0.001 0.000 1.266 674 F CB 0.368 39.273 39.000 -0.159 0.000 1.076 674 F HN 0.257 nan 8.300 nan 0.000 0.574 675 R N 3.155 123.248 120.500 -0.678 0.000 2.189 675 R HA 0.413 4.753 4.340 -0.000 0.000 0.203 675 R C 0.778 176.589 176.300 -0.815 0.000 1.012 675 R CA 0.315 56.067 56.100 -0.580 0.000 1.015 675 R CB 0.051 30.068 30.300 -0.472 0.000 0.938 675 R HN 0.915 nan 8.270 nan 0.000 0.472 676 G N -0.704 107.087 108.800 -1.683 0.000 2.340 676 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.282 676 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.282 676 G C -1.838 172.554 174.900 -0.847 0.000 1.312 676 G CA -0.976 43.405 45.100 -1.198 0.000 0.942 676 G HN 0.025 nan 8.290 nan 0.000 0.495 677 W N -0.044 121.172 121.300 -0.140 0.000 2.781 677 W HA 0.756 5.416 4.660 0.000 0.000 0.345 677 W C 0.119 176.602 176.519 -0.059 0.000 1.085 677 W CA -0.268 57.042 57.345 -0.059 0.000 1.198 677 W CB 2.435 31.911 29.460 0.027 0.000 1.423 677 W HN 1.284 nan 8.180 nan 0.000 0.532 678 A N 2.741 125.654 122.820 0.154 0.000 2.486 678 A HA 0.938 5.258 4.320 -0.000 0.000 0.300 678 A C -1.655 175.919 177.584 -0.017 0.000 1.048 678 A CA -0.552 51.458 52.037 -0.046 0.000 0.696 678 A CB 1.668 20.548 19.000 -0.201 0.000 1.278 678 A HN 0.671 nan 8.150 nan 0.000 0.405 679 F N -0.903 118.911 119.950 -0.228 0.000 2.719 679 F HA 0.879 5.406 4.527 -0.000 0.000 0.309 679 F C -0.303 175.282 175.800 -0.360 0.000 1.138 679 F CA -0.386 57.428 58.000 -0.311 0.000 0.943 679 F CB 1.143 40.032 39.000 -0.185 0.000 1.304 679 F HN 0.711 nan 8.300 nan 0.000 0.445 680 T N -0.435 114.076 114.554 -0.072 0.000 2.626 680 T HA 0.605 4.955 4.350 -0.000 0.000 0.299 680 T C -1.714 173.275 174.700 0.481 0.000 1.181 680 T CA -1.191 60.929 62.100 0.033 0.000 1.053 680 T CB 1.994 70.647 68.868 -0.358 0.000 1.566 680 T HN 0.949 nan 8.240 nan 0.000 0.486 681 R N 0.117 120.849 120.500 0.387 0.000 2.575 681 R HA 0.743 5.083 4.340 -0.000 0.000 0.293 681 R C -1.766 174.617 176.300 0.138 0.000 0.983 681 R CA -0.684 55.555 56.100 0.232 0.000 0.887 681 R CB 1.009 31.315 30.300 0.010 0.000 1.184 681 R HN 0.613 nan 8.270 nan 0.000 0.445 682 L N 2.675 123.979 121.223 0.135 0.000 2.323 682 L HA 0.579 4.919 4.340 -0.000 0.000 0.265 682 L C -0.338 176.553 176.870 0.036 0.000 1.012 682 L CA -1.171 53.736 54.840 0.112 0.000 0.820 682 L CB 2.211 44.380 42.059 0.184 0.000 1.334 682 L HN 0.462 nan 8.230 nan 0.000 0.427 683 K N 0.028 120.445 120.400 0.029 0.000 2.201 683 K HA 0.269 4.589 4.320 -0.000 0.000 0.278 683 K C 0.535 177.128 176.600 -0.012 0.000 1.027 683 K CA -0.396 55.894 56.287 0.005 0.000 0.909 683 K CB 1.757 34.268 32.500 0.017 0.000 1.062 683 K HN 0.559 nan 8.250 nan 0.000 0.465 684 T N 2.349 116.892 114.554 -0.018 0.000 2.720 684 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 684 T C 1.337 176.026 174.700 -0.018 0.000 1.037 684 T CA 1.415 63.503 62.100 -0.020 0.000 1.144 684 T CB 0.001 68.857 68.868 -0.020 0.000 0.864 684 T HN 0.520 nan 8.240 nan 0.000 0.444 685 K N 0.918 121.285 120.400 -0.055 0.000 2.211 685 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 685 K C 1.803 178.265 176.600 -0.230 0.000 1.047 685 K CA 1.104 57.331 56.287 -0.101 0.000 0.935 685 K CB -0.042 32.378 32.500 -0.133 0.000 0.728 685 K HN 0.518 nan 8.250 nan 0.000 0.452 686 E N 0.133 120.167 120.200 -0.277 0.000 2.444 686 E HA 0.030 4.380 4.350 -0.000 0.000 0.191 686 E C -0.520 176.135 176.600 0.092 0.000 1.041 686 E CA 0.146 56.318 56.400 -0.380 0.000 0.883 686 E CB 0.796 30.278 29.700 -0.363 0.000 1.024 686 E HN -0.007 nan 8.360 nan 0.000 0.470 687 T N 3.840 118.457 114.554 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 -1.496 60.616 62.100 0.019 0.000 1.000 687 T CB 1.347 70.168 68.868 -0.079 0.000 1.008 687 T HN 0.006 nan 8.240 nan 0.000 0.473 688 P HA 0.119 nan 4.420 nan 0.000 0.269 688 P C -0.097 176.984 177.300 -0.365 0.000 1.215 688 P CA -0.285 62.414 63.100 -0.668 0.000 0.780 688 P CB 0.762 31.733 31.700 -1.216 0.000 0.898 689 S N 2.453 117.988 115.700 -0.275 0.000 2.455 689 S HA 0.285 4.755 4.470 -0.000 0.000 0.278 689 S C 0.101 174.593 174.600 -0.179 0.000 1.216 689 S CA -0.612 57.476 58.200 -0.186 0.000 1.055 689 S CB -0.909 62.231 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 0.700 5.040 4.340 -0.000 0.000 0.267 690 L C 1.619 178.468 176.870 -0.035 0.000 1.033 690 L CA -0.127 54.666 54.840 -0.078 0.000 0.802 690 L CB 1.024 43.056 42.059 -0.044 0.000 1.267 690 L HN 0.925 nan 8.230 nan 0.000 0.457 691 G N 0.274 109.085 108.800 0.019 0.000 2.611 691 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.208 691 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.208 691 G C 0.212 175.118 174.900 0.010 0.000 1.201 691 G CA 0.090 45.199 45.100 0.015 0.000 0.739 691 G HN 0.759 nan 8.290 nan 0.000 0.528 692 S N 1.417 117.112 115.700 -0.007 0.000 2.565 692 S HA 0.555 5.025 4.470 -0.000 0.000 0.274 692 S C 1.524 176.127 174.600 0.005 0.000 1.309 692 S CA 0.750 58.940 58.200 -0.016 0.000 1.043 692 S CB 1.594 64.770 63.200 -0.039 0.000 0.939 692 S HN 1.648 nan 8.310 nan 0.000 0.504 693 G N 0.407 109.205 108.800 -0.003 0.000 2.535 693 G HA2 0.025 3.985 3.960 -0.000 0.000 0.218 693 G HA3 0.025 3.985 3.960 -0.000 0.000 0.218 693 G C -0.152 174.648 174.900 -0.167 0.000 1.122 693 G CA 0.506 45.637 45.100 0.052 0.000 0.769 693 G HN 0.835 nan 8.290 nan 0.000 0.549 694 Y N -0.402 119.631 120.300 -0.445 0.000 2.390 694 Y HA 0.387 4.937 4.550 -0.000 0.000 0.324 694 Y C -2.001 173.746 175.900 -0.256 0.000 1.151 694 Y CA -1.443 56.387 58.100 -0.450 0.000 1.053 694 Y CB 1.949 39.913 38.460 -0.827 0.000 1.277 694 Y HN -0.051 nan 8.280 nan 0.000 0.432 695 D N 8.359 128.383 120.400 -0.627 0.000 2.443 695 D HA 0.306 4.946 4.640 -0.000 0.000 0.221 695 D C -1.767 174.188 176.300 -0.575 0.000 1.097 695 D CA -2.511 51.223 54.000 -0.442 0.000 0.865 695 D CB 1.763 42.382 40.800 -0.302 0.000 1.034 695 D HN 0.362 nan 8.370 nan 0.000 0.511 696 P HA -0.152 nan 4.420 nan 0.000 0.220 696 P C 0.560 177.634 177.300 -0.377 0.000 1.148 696 P CA 1.002 63.849 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 -2.494 117.801 120.300 -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 -0.799 57.315 58.100 0.023 0.000 1.258 697 Y CB -0.630 37.841 38.460 0.017 0.000 1.108 697 Y HN -0.096 nan 8.280 nan 0.000 0.521 698 Y N 2.392 122.678 120.300 -0.023 0.000 2.595 698 Y HA 0.164 4.714 4.550 0.000 0.000 0.347 698 Y C 0.503 176.416 175.900 0.021 0.000 1.025 698 Y CA -0.705 57.390 58.100 -0.007 0.000 1.295 698 Y CB 0.467 38.877 38.460 -0.083 0.000 1.147 698 Y HN 0.086 nan 8.280 nan 0.000 0.515 699 T N 2.733 117.193 114.554 -0.156 0.000 3.327 699 T HA 0.231 4.581 4.350 -0.000 0.000 0.244 699 T C -1.111 173.492 174.700 -0.162 0.000 1.074 699 T CA -0.447 61.572 62.100 -0.136 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 0.980 120.918 120.300 -0.605 0.000 2.513 700 Y HA 0.552 5.102 4.550 -0.000 0.000 0.340 700 Y C -0.094 175.548 175.900 -0.429 0.000 1.055 700 Y CA -0.896 56.924 58.100 -0.468 0.000 1.020 700 Y CB 2.117 40.308 38.460 -0.448 0.000 1.301 700 Y HN 0.210 nan 8.280 nan 0.000 0.453 701 S N 1.918 117.084 115.700 -0.889 0.000 2.952 701 S HA 0.469 4.939 4.470 -0.000 0.000 0.251 701 S C 0.386 174.600 174.600 -0.644 0.000 1.021 701 S CA -0.013 57.837 58.200 -0.584 0.000 1.067 701 S CB -0.002 63.032 63.200 -0.276 0.000 1.002 701 S HN 0.987 nan 8.310 nan 0.000 0.574 702 G N 2.119 110.116 108.800 -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 0.099 174.976 174.900 -0.038 0.000 1.439 702 G CA -0.128 44.675 45.100 -0.495 0.000 1.056 702 G HN 0.725 nan 8.290 nan 0.000 0.555 703 S N -1.283 114.542 115.700 0.208 0.000 2.585 703 S HA 0.378 4.848 4.470 -0.000 0.000 0.273 703 S C -0.061 174.738 174.600 0.333 0.000 1.339 703 S CA -0.386 57.938 58.200 0.207 0.000 1.028 703 S CB 0.753 64.039 63.200 0.144 0.000 0.906 703 S HN 0.380 nan 8.310 nan 0.000 0.528 704 I N 3.250 123.954 120.570 0.223 0.000 2.503 704 I HA 0.277 4.447 4.170 -0.000 0.000 0.277 704 I C -1.976 174.199 176.117 0.096 0.000 1.078 704 I CA -2.318 59.129 61.300 0.245 0.000 1.184 704 I CB 1.384 39.532 38.000 0.246 0.000 1.353 704 I HN 0.454 nan 8.210 nan 0.000 0.490 705 P HA -0.286 nan 4.420 nan 0.000 0.218 705 P C 1.569 178.711 177.300 -0.263 0.000 1.154 705 P CA 1.681 64.654 63.100 -0.212 0.000 0.872 705 P CB 0.028 31.749 31.700 0.036 0.000 0.790 706 Y N -0.209 120.083 120.300 -0.015 0.000 2.256 706 Y HA -0.194 4.356 4.550 -0.000 0.000 0.288 706 Y C 1.841 177.751 175.900 0.015 0.000 1.155 706 Y CA 1.564 59.690 58.100 0.042 0.000 1.203 706 Y CB -0.564 37.847 38.460 -0.082 0.000 0.980 706 Y HN -0.127 nan 8.280 nan 0.000 0.530 707 L N -0.845 120.370 121.223 -0.012 0.000 2.388 707 L HA 0.057 4.397 4.340 -0.000 0.000 0.209 707 L C 1.542 178.352 176.870 -0.100 0.000 1.061 707 L CA 0.876 55.685 54.840 -0.051 0.000 0.834 707 L CB -0.257 41.856 42.059 0.090 0.000 1.029 707 L HN 0.173 nan 8.230 nan 0.000 0.473 708 D N -0.826 119.491 120.400 -0.138 0.000 2.360 708 D HA 0.099 4.739 4.640 -0.000 0.000 0.210 708 D C 1.442 177.554 176.300 -0.313 0.000 1.047 708 D CA 0.686 54.586 54.000 -0.166 0.000 0.854 708 D CB 0.405 41.141 40.800 -0.107 0.000 0.936 708 D HN 0.182 nan 8.370 nan 0.000 0.514 709 G N 0.464 108.922 108.800 -0.569 0.000 2.143 709 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.249 709 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.249 709 G C 0.673 175.157 174.900 -0.693 0.000 0.981 709 G CA 0.528 45.139 45.100 -0.814 0.000 0.665 709 G HN 0.684 nan 8.290 nan 0.000 0.528 710 T N -0.459 113.691 114.554 -0.673 0.000 3.820 710 T HA 0.555 4.905 4.350 -0.000 0.000 0.224 710 T C 0.618 175.265 174.700 -0.088 0.000 0.869 710 T CA -0.545 61.141 62.100 -0.690 0.000 0.932 710 T CB -0.737 67.488 68.868 -1.071 0.000 1.259 710 T HN 0.301 nan 8.240 nan 0.000 0.676 711 F N 2.486 122.562 119.950 0.211 0.000 2.518 711 F HA 0.303 4.830 4.527 -0.000 0.000 0.359 711 F C 1.066 177.148 175.800 0.471 0.000 1.118 711 F CA -0.676 57.484 58.000 0.265 0.000 1.287 711 F CB 0.438 39.506 39.000 0.113 0.000 1.132 711 F HN 0.521 nan 8.300 nan 0.000 0.587 712 Y N -0.307 120.278 120.300 0.475 0.000 2.957 712 Y HA 0.435 4.985 4.550 0.000 0.000 0.274 712 Y C -0.406 175.725 175.900 0.384 0.000 1.065 712 Y CA -0.474 57.872 58.100 0.409 0.000 1.273 712 Y CB -0.863 37.831 38.460 0.390 0.000 1.358 712 Y HN 0.417 nan 8.280 nan 0.000 0.585 713 L N 0.922 122.127 121.223 -0.030 0.000 3.014 713 L HA 0.317 4.657 4.340 -0.000 0.000 0.263 713 L C 0.980 177.836 176.870 -0.022 0.000 1.207 713 L CA -0.078 54.677 54.840 -0.141 0.000 1.017 713 L CB 0.109 41.992 42.059 -0.293 0.000 1.360 713 L HN 0.212 nan 8.230 nan 0.000 0.560 714 N N 0.613 119.425 118.700 0.188 0.000 2.364 714 N HA -0.177 4.563 4.740 -0.000 0.000 0.183 714 N C 1.674 177.598 175.510 0.691 0.000 1.022 714 N CA 1.137 54.391 53.050 0.340 0.000 0.883 714 N CB -0.124 38.189 38.487 -0.289 0.000 0.965 714 N HN 0.589 nan 8.380 nan 0.000 0.438 715 H N -0.217 119.037 119.070 0.307 0.000 2.559 715 H HA 0.074 4.630 4.556 -0.000 0.000 0.273 715 H C 1.033 176.392 175.328 0.052 0.000 1.000 715 H CA 1.233 57.276 56.048 -0.010 0.000 1.195 715 H CB -0.627 28.906 29.762 -0.382 0.000 1.368 715 H HN 0.135 nan 8.280 nan 0.000 0.592 716 T N -2.434 111.959 114.554 -0.269 0.000 3.144 716 T HA 0.158 4.508 4.350 -0.000 0.000 0.249 716 T C 0.119 174.712 174.700 -0.178 0.000 1.089 716 T CA -0.553 61.391 62.100 -0.261 0.000 0.989 716 T CB -0.735 67.886 68.868 -0.410 0.000 0.992 716 T HN 0.012 nan 8.240 nan 0.000 0.540 717 F N 1.422 121.428 119.950 0.093 0.000 2.394 717 F HA 0.595 5.122 4.527 0.000 0.000 0.340 717 F C 1.371 177.149 175.800 -0.036 0.000 1.105 717 F CA -1.139 56.909 58.000 0.079 0.000 1.124 717 F CB 1.814 40.925 39.000 0.186 0.000 1.145 717 F HN -0.103 nan 8.300 nan 0.000 0.505 718 K N 2.240 122.691 120.400 0.084 0.000 2.161 718 K HA 0.185 4.505 4.320 -0.000 0.000 0.205 718 K C -0.509 176.035 176.600 -0.094 0.000 1.035 718 K CA 0.726 57.006 56.287 -0.011 0.000 0.970 718 K CB 0.368 32.856 32.500 -0.020 0.000 0.866 718 K HN 0.647 nan 8.250 nan 0.000 0.461 719 K N -1.308 119.040 120.400 -0.087 0.000 2.579 719 K HA 0.478 4.798 4.320 -0.000 0.000 0.284 719 K C -1.572 174.901 176.600 -0.211 0.000 0.990 719 K CA -1.117 55.068 56.287 -0.169 0.000 0.880 719 K CB 2.136 34.557 32.500 -0.132 0.000 1.488 719 K HN -0.169 nan 8.250 nan 0.000 0.425 720 V N 0.109 119.855 119.914 -0.280 0.000 2.686 720 V HA 0.738 4.858 4.120 -0.000 0.000 0.306 720 V C -1.022 174.896 176.094 -0.294 0.000 1.065 720 V CA -0.739 61.253 62.300 -0.513 0.000 0.894 720 V CB 1.522 32.871 31.823 -0.789 0.000 1.004 720 V HN 0.967 nan 8.190 nan 0.000 0.424 721 A N 5.721 128.326 122.820 -0.359 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 -0.252 0.000 1.159 721 A CA -0.483 51.440 52.037 -0.190 0.000 0.799 721 A CB 0.763 19.674 19.000 -0.148 0.000 1.194 721 A HN 0.784 nan 8.150 nan 0.000 0.479 722 I N 2.044 122.542 120.570 -0.119 0.000 2.406 722 I HA 0.470 4.640 4.170 -0.000 0.000 0.290 722 I C -0.464 175.626 176.117 -0.044 0.000 0.999 722 I CA -0.209 60.983 61.300 -0.181 0.000 1.124 722 I CB 2.417 40.314 38.000 -0.171 0.000 1.289 722 I HN 0.582 nan 8.210 nan 0.000 0.441 723 T N 5.603 120.063 114.554 -0.157 0.000 2.928 723 T HA 0.497 4.847 4.350 -0.000 0.000 0.296 723 T C -0.663 173.945 174.700 -0.153 0.000 1.000 723 T CA -0.480 61.589 62.100 -0.052 0.000 0.989 723 T CB 0.967 69.824 68.868 -0.019 0.000 1.005 723 T HN 0.086 nan 8.240 nan 0.000 0.442 724 F N 2.171 122.168 119.950 0.079 0.000 2.399 724 F HA 0.353 4.880 4.527 0.000 0.000 0.334 724 F C 1.294 177.150 175.800 0.094 0.000 1.097 724 F CA -0.312 57.719 58.000 0.051 0.000 1.076 724 F CB 0.885 39.899 39.000 0.023 0.000 1.162 724 F HN 0.614 nan 8.300 nan 0.000 0.495 725 D N 2.300 122.880 120.400 0.301 0.000 2.702 725 D HA -0.260 4.380 4.640 -0.000 0.000 0.233 725 D C 0.707 177.080 176.300 0.121 0.000 1.164 725 D CA 1.105 55.220 54.000 0.192 0.000 0.638 725 D CB -1.013 39.905 40.800 0.196 0.000 1.041 725 D HN 0.848 nan 8.370 nan 0.000 0.422 726 S N -2.356 113.399 115.700 0.092 0.000 3.491 726 S HA -0.280 4.190 4.470 -0.000 0.000 0.371 726 S C 0.919 175.555 174.600 0.060 0.000 0.980 726 S CA 2.029 60.264 58.200 0.058 0.000 1.204 726 S CB -2.108 61.118 63.200 0.043 0.000 0.915 726 S HN 1.471 nan 8.310 nan 0.000 0.482 727 S N -3.228 112.520 115.700 0.081 0.000 1.773 727 S HA 0.169 4.639 4.470 -0.000 0.000 0.203 727 S C -0.107 174.549 174.600 0.092 0.000 0.762 727 S CA 0.284 58.527 58.200 0.071 0.000 1.503 727 S CB -0.116 63.122 63.200 0.063 0.000 0.926 727 S HN 1.074 nan 8.310 nan 0.000 0.380 728 V N 3.561 123.559 119.914 0.141 0.000 2.368 728 V HA 0.643 4.763 4.120 -0.000 0.000 0.266 728 V C 0.424 176.656 176.094 0.230 0.000 1.045 728 V CA -0.153 62.251 62.300 0.174 0.000 0.899 728 V CB 0.927 32.872 31.823 0.203 0.000 1.006 728 V HN 0.550 nan 8.190 nan 0.000 0.470 729 S N 5.162 120.966 115.700 0.173 0.000 2.548 729 S HA 0.416 4.886 4.470 -0.000 0.000 0.277 729 S C -0.896 173.882 174.600 0.296 0.000 1.315 729 S CA -0.426 57.886 58.200 0.187 0.000 1.050 729 S CB 0.356 63.605 63.200 0.081 0.000 0.918 729 S HN 0.663 nan 8.310 nan 0.000 0.497 730 W N 6.473 127.907 121.300 0.223 0.000 2.702 730 W HA 0.517 5.177 4.660 -0.000 0.000 0.331 730 W C -1.964 174.753 176.519 0.331 0.000 1.049 730 W CA -2.148 55.401 57.345 0.340 0.000 1.230 730 W CB 1.653 31.483 29.460 0.616 0.000 1.408 730 W HN 0.513 nan 8.180 nan 0.000 0.492 731 P HA 0.096 nan 4.420 nan 0.000 0.241 731 P C 0.915 177.933 177.300 -0.470 0.000 1.191 731 P CA 1.422 63.732 63.100 -1.317 0.000 0.771 731 P CB 0.315 31.236 31.700 -1.299 0.000 0.929 732 G N 1.893 110.557 108.800 -0.226 0.000 2.581 732 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.291 732 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.291 732 G C 0.380 175.197 174.900 -0.139 0.000 1.277 732 G CA 0.342 45.372 45.100 -0.116 0.000 0.959 732 G HN 0.326 nan 8.290 nan 0.000 0.554 733 N N 0.120 118.767 118.700 -0.088 0.000 2.681 733 N HA -0.211 4.529 4.740 -0.000 0.000 0.250 733 N C 0.635 176.099 175.510 -0.076 0.000 1.133 733 N CA 2.507 55.508 53.050 -0.082 0.000 0.732 733 N CB -0.873 37.552 38.487 -0.103 0.000 1.107 733 N HN 1.570 nan 8.380 nan 0.000 0.559 734 D N -1.387 118.969 120.400 -0.073 0.000 2.751 734 D HA -0.223 4.417 4.640 -0.000 0.000 0.233 734 D C 1.159 177.425 176.300 -0.056 0.000 1.149 734 D CA 1.160 55.125 54.000 -0.058 0.000 0.682 734 D CB -0.176 40.601 40.800 -0.037 0.000 1.068 734 D HN 0.396 nan 8.370 nan 0.000 0.429 735 R N -0.526 119.925 120.500 -0.082 0.000 2.062 735 R HA 0.120 4.460 4.340 -0.000 0.000 0.226 735 R C 1.103 177.391 176.300 -0.020 0.000 1.125 735 R CA 0.574 56.641 56.100 -0.055 0.000 0.966 735 R CB -0.083 30.164 30.300 -0.088 0.000 0.861 735 R HN 0.330 nan 8.270 nan 0.000 0.433 736 L N 1.253 122.434 121.223 -0.071 0.000 2.421 736 L HA 0.167 4.507 4.340 -0.000 0.000 0.263 736 L C 1.934 178.799 176.870 -0.009 0.000 1.122 736 L CA -0.434 54.370 54.840 -0.059 0.000 0.804 736 L CB 0.604 42.542 42.059 -0.202 0.000 1.150 736 L HN 0.003 nan 8.230 nan 0.000 0.457 737 L N 0.596 121.865 121.223 0.075 0.000 2.127 737 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 737 L C 1.101 178.003 176.870 0.054 0.000 1.089 737 L CA 1.369 56.321 54.840 0.187 0.000 0.757 737 L CB -0.573 41.843 42.059 0.594 0.000 0.899 737 L HN 0.800 nan 8.230 nan 0.000 0.434 738 T N -4.075 110.435 114.554 -0.073 0.000 3.250 738 T HA 0.271 4.621 4.350 -0.000 0.000 0.391 738 T C -1.530 173.083 174.700 -0.145 0.000 1.502 738 T CA -1.880 60.136 62.100 -0.139 0.000 1.320 738 T CB 0.914 69.651 68.868 -0.218 0.000 1.102 738 T HN -0.057 nan 8.240 nan 0.000 0.610 739 P HA -0.185 nan 4.420 nan 0.000 0.218 739 P C 0.842 178.054 177.300 -0.146 0.000 1.150 739 P CA 1.214 64.237 63.100 -0.128 0.000 0.841 739 P CB 0.164 31.816 31.700 -0.079 0.000 0.784 740 N N 0.150 118.779 118.700 -0.118 0.000 2.398 740 N HA 0.003 4.743 4.740 -0.000 0.000 0.188 740 N C 0.826 176.275 175.510 -0.102 0.000 1.122 740 N CA 0.625 53.620 53.050 -0.093 0.000 0.866 740 N CB 0.303 38.752 38.487 -0.064 0.000 0.970 740 N HN 0.541 nan 8.380 nan 0.000 0.462 741 E N -0.820 119.283 120.200 -0.162 0.000 2.422 741 E HA 0.149 4.499 4.350 -0.000 0.000 0.280 741 E C -1.626 174.847 176.600 -0.212 0.000 1.091 741 E CA -0.672 55.653 56.400 -0.125 0.000 0.849 741 E CB 0.204 29.847 29.700 -0.095 0.000 1.353 741 E HN -0.227 nan 8.360 nan 0.000 0.449 742 F N 1.307 121.181 119.950 -0.126 0.000 2.350 742 F HA 0.284 4.811 4.527 -0.000 0.000 0.365 742 F C 0.444 176.121 175.800 -0.206 0.000 1.122 742 F CA -0.388 57.555 58.000 -0.096 0.000 1.139 742 F CB 1.170 40.153 39.000 -0.029 0.000 1.220 742 F HN 0.170 nan 8.300 nan 0.000 0.499 743 E N 4.664 124.831 120.200 -0.056 0.000 2.130 743 E HA 0.213 4.563 4.350 -0.000 0.000 0.284 743 E C 0.779 177.249 176.600 -0.217 0.000 1.018 743 E CA -0.132 56.185 56.400 -0.140 0.000 0.817 743 E CB 1.516 31.138 29.700 -0.129 0.000 1.078 743 E HN 0.688 nan 8.360 nan 0.000 0.396 744 I N 2.838 123.138 120.570 -0.450 0.000 2.400 744 I HA -0.141 4.029 4.170 -0.000 0.000 0.248 744 I C 0.840 176.796 176.117 -0.268 0.000 1.109 744 I CA 1.087 61.902 61.300 -0.809 0.000 1.425 744 I CB 0.064 37.392 38.000 -1.120 0.000 1.094 744 I HN 0.408 nan 8.210 nan 0.000 0.425 745 K N 0.454 120.802 120.400 -0.086 0.000 2.532 745 K HA 0.662 4.982 4.320 -0.000 0.000 0.265 745 K C -0.981 175.647 176.600 0.046 0.000 0.948 745 K CA -0.904 55.429 56.287 0.078 0.000 0.842 745 K CB 2.107 34.744 32.500 0.228 0.000 1.392 745 K HN -0.156 nan 8.250 nan 0.000 0.436 746 R N 0.504 121.050 120.500 0.077 0.000 2.740 746 R HA 0.368 4.708 4.340 -0.000 0.000 0.282 746 R C -0.987 175.356 176.300 0.071 0.000 0.969 746 R CA -1.099 55.030 56.100 0.049 0.000 0.918 746 R CB 2.312 32.634 30.300 0.037 0.000 1.175 746 R HN 0.884 nan 8.270 nan 0.000 0.464 747 S N 1.157 116.887 115.700 0.050 0.000 2.423 747 S HA 0.140 4.610 4.470 -0.000 0.000 0.317 747 S C 1.175 175.804 174.600 0.049 0.000 1.065 747 S CA -0.183 58.050 58.200 0.056 0.000 1.111 747 S CB 1.199 64.424 63.200 0.042 0.000 0.968 747 S HN 0.817 nan 8.310 nan 0.000 0.474 748 V N 1.757 121.707 119.914 0.060 0.000 0.575 748 V HA -0.487 3.633 4.120 -0.000 0.000 0.092 748 V C 1.504 177.626 176.094 0.047 0.000 1.949 748 V CA 3.083 65.414 62.300 0.052 0.000 3.444 748 V CB -1.986 29.860 31.823 0.040 0.000 0.743 748 V HN 0.836 nan 8.190 nan 0.000 0.767 749 D N 1.619 122.041 120.400 0.036 0.000 2.203 749 D HA -0.024 4.616 4.640 -0.000 0.000 0.199 749 D C 1.553 177.879 176.300 0.043 0.000 0.997 749 D CA 2.145 56.164 54.000 0.031 0.000 0.863 749 D CB -0.606 40.205 40.800 0.018 0.000 0.928 749 D HN 1.005 nan 8.370 nan 0.000 0.458 750 G N -0.068 108.763 108.800 0.053 0.000 4.547 750 G HA2 0.122 4.082 3.960 -0.000 0.000 0.301 750 G HA3 0.122 4.082 3.960 -0.000 0.000 0.301 750 G C 0.800 175.778 174.900 0.131 0.000 1.240 750 G CA -0.392 44.758 45.100 0.084 0.000 0.970 750 G HN 0.058 nan 8.290 nan 0.000 0.574 751 E N 0.234 120.497 120.200 0.104 0.000 2.160 751 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 751 E C 2.569 179.233 176.600 0.106 0.000 0.991 751 E CA 0.934 57.394 56.400 0.100 0.000 0.810 751 E CB 0.102 29.845 29.700 0.071 0.000 0.742 751 E HN 0.439 nan 8.360 nan 0.000 0.466 752 G N 0.158 109.021 108.800 0.105 0.000 2.442 752 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 752 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 752 G C 1.179 176.107 174.900 0.047 0.000 1.141 752 G CA 0.642 45.776 45.100 0.057 0.000 0.763 752 G HN 0.248 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 1.220 177.145 175.900 0.042 0.000 1.146 753 Y CA 0.705 58.827 58.100 0.036 0.000 1.182 753 Y CB -0.150 38.330 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 -0.181 175.369 175.510 0.067 0.000 1.228 754 N CA 0.340 53.471 53.050 0.134 0.000 0.900 754 N CB 0.868 39.433 38.487 0.130 0.000 1.089 754 N HN 0.045 nan 8.380 nan 0.000 0.449 755 V N -2.209 117.718 119.914 0.022 0.000 3.182 755 V HA 0.843 4.963 4.120 -0.000 0.000 0.311 755 V C 0.939 176.966 176.094 -0.112 0.000 1.221 755 V CA -0.700 61.553 62.300 -0.078 0.000 1.060 755 V CB 0.671 32.374 31.823 -0.200 0.000 1.164 755 V HN 0.729 nan 8.190 nan 0.000 0.466 756 A N -0.698 121.997 122.820 -0.207 0.000 2.799 756 A HA -0.293 4.027 4.320 -0.000 0.000 0.274 756 A C 0.997 178.566 177.584 -0.024 0.000 1.393 756 A CA 1.818 53.762 52.037 -0.155 0.000 0.909 756 A CB -2.464 16.420 19.000 -0.193 0.000 1.012 756 A HN 1.647 nan 8.150 nan 0.000 0.653 757 Q N -4.230 115.567 119.800 -0.005 0.000 2.487 757 Q HA -0.259 4.081 4.340 -0.000 0.000 0.279 757 Q C 0.298 176.337 176.000 0.064 0.000 1.228 757 Q CA 1.111 56.931 55.803 0.027 0.000 0.873 757 Q CB -2.719 26.028 28.738 0.015 0.000 1.260 757 Q HN 2.149 nan 8.270 nan 0.000 0.471 758 C N -2.723 116.638 119.300 0.102 0.000 3.292 758 C HA 0.564 5.024 4.460 -0.000 0.000 0.369 758 C C 1.257 176.369 174.990 0.202 0.000 1.664 758 C CA -0.264 58.857 59.018 0.172 0.000 1.204 758 C CB 0.828 28.696 27.740 0.214 0.000 1.978 758 C HN 0.474 nan 8.230 nan 0.000 0.435 759 N N 0.648 119.518 118.700 0.282 0.000 2.449 759 N HA 0.030 4.770 4.740 -0.000 0.000 0.191 759 N C 0.228 175.903 175.510 0.276 0.000 1.161 759 N CA 0.067 53.274 53.050 0.261 0.000 0.863 759 N CB -0.279 38.364 38.487 0.260 0.000 0.980 759 N HN 0.893 nan 8.380 nan 0.000 0.458 760 M N 1.736 121.501 119.600 0.274 0.000 2.242 760 M HA 0.074 4.554 4.480 -0.000 0.000 0.344 760 M C 0.154 176.551 176.300 0.163 0.000 1.140 760 M CA -0.266 55.153 55.300 0.198 0.000 1.160 760 M CB 0.856 33.516 32.600 0.099 0.000 1.491 760 M HN 0.206 nan 8.290 nan 0.000 0.459 761 T N 1.169 115.825 114.554 0.171 0.000 2.899 761 T HA 0.313 4.663 4.350 -0.000 0.000 0.284 761 T C 0.740 175.567 174.700 0.212 0.000 1.004 761 T CA -0.679 61.535 62.100 0.189 0.000 1.043 761 T CB 1.130 70.093 68.868 0.159 0.000 1.013 761 T HN 0.798 nan 8.240 nan 0.000 0.518 762 K N 0.487 121.022 120.400 0.226 0.000 2.057 762 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 762 K C 1.824 178.558 176.600 0.223 0.000 1.049 762 K CA 1.582 57.994 56.287 0.208 0.000 0.931 762 K CB -0.194 32.413 32.500 0.178 0.000 0.714 762 K HN 0.600 nan 8.250 nan 0.000 0.440 763 D N 0.224 120.753 120.400 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 0.125 0.000 0.997 763 D CA 0.922 55.011 54.000 0.148 0.000 0.834 763 D CB -0.283 40.583 40.800 0.111 0.000 0.956 763 D HN 0.373 nan 8.370 nan 0.000 0.448 764 W N 0.325 121.589 121.300 -0.060 0.000 2.388 764 W HA -0.212 4.448 4.660 0.000 0.000 0.294 764 W C 2.039 178.416 176.519 -0.236 0.000 1.212 764 W CA 0.373 57.616 57.345 -0.170 0.000 1.271 764 W CB -0.409 28.923 29.460 -0.214 0.000 1.126 764 W HN -0.089 nan 8.180 nan 0.000 0.535 765 F N 1.243 121.072 119.950 -0.202 0.000 2.171 765 F HA -0.231 4.296 4.527 0.000 0.000 0.300 765 F C 2.245 177.845 175.800 -0.333 0.000 1.090 765 F CA 1.763 59.549 58.000 -0.356 0.000 1.293 765 F CB -0.982 37.845 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 -0.154 0.000 2.027 766 L HA -0.118 4.222 4.340 -0.000 0.000 0.206 766 L C 2.169 178.835 176.870 -0.340 0.000 1.074 766 L CA 1.698 56.487 54.840 -0.084 0.000 0.745 766 L CB -1.012 41.097 42.059 0.084 0.000 0.898 766 L HN 0.028 nan 8.230 nan 0.000 0.433 767 V N -0.306 119.323 119.914 -0.474 0.000 2.358 767 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 767 V C 2.676 178.317 176.094 -0.755 0.000 1.047 767 V CA 1.640 63.540 62.300 -0.667 0.000 1.035 767 V CB -0.800 30.542 31.823 -0.802 0.000 0.658 767 V HN 0.503 nan 8.190 nan 0.000 0.452 768 Q N -0.993 118.187 119.800 -1.033 0.000 2.119 768 Q HA -0.088 4.252 4.340 -0.000 0.000 0.201 768 Q C 2.231 177.791 176.000 -0.733 0.000 0.972 768 Q CA 1.253 56.397 55.803 -1.099 0.000 0.847 768 Q CB -0.417 27.253 28.738 -1.779 0.000 0.903 768 Q HN 0.463 nan 8.270 nan 0.000 0.433 769 M N -0.017 119.210 119.600 -0.622 0.000 2.175 769 M HA -0.064 4.416 4.480 -0.000 0.000 0.264 769 M C 2.268 178.455 176.300 -0.188 0.000 1.063 769 M CA 1.076 56.216 55.300 -0.267 0.000 1.119 769 M CB -0.867 31.543 32.600 -0.317 0.000 1.377 769 M HN 0.160 nan 8.290 nan 0.000 0.415 770 L N -0.409 120.658 121.223 -0.259 0.000 2.027 770 L HA -0.126 4.214 4.340 -0.000 0.000 0.206 770 L C 2.708 179.482 176.870 -0.161 0.000 1.074 770 L CA 1.153 55.887 54.840 -0.176 0.000 0.745 770 L CB -0.900 41.067 42.059 -0.153 0.000 0.898 770 L HN 0.243 nan 8.230 nan 0.000 0.433 771 A N 0.229 122.906 122.820 -0.238 0.000 1.940 771 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 771 A C 1.966 179.373 177.584 -0.295 0.000 1.176 771 A CA 2.376 54.278 52.037 -0.224 0.000 0.631 771 A CB -0.644 18.181 19.000 -0.292 0.000 0.814 771 A HN 0.483 nan 8.150 nan 0.000 0.446 772 N N -2.404 116.016 118.700 -0.468 0.000 2.336 772 N HA 0.056 4.796 4.740 -0.000 0.000 0.177 772 N C 0.559 175.559 175.510 -0.851 0.000 1.018 772 N CA 1.347 53.930 53.050 -0.779 0.000 0.878 772 N CB -0.002 37.722 38.487 -1.271 0.000 0.997 772 N HN 0.624 nan 8.380 nan 0.000 0.433 773 Y N -1.427 118.818 120.300 -0.091 0.000 2.610 773 Y HA 0.396 4.946 4.550 -0.000 0.000 0.254 773 Y C -0.084 175.766 175.900 -0.083 0.000 1.110 773 Y CA -0.746 57.298 58.100 -0.093 0.000 1.238 773 Y CB -0.475 37.904 38.460 -0.135 0.000 1.322 773 Y HN -0.105 nan 8.280 nan 0.000 0.547 774 N N 0.675 119.384 118.700 0.013 0.000 2.782 774 N HA -0.190 4.550 4.740 -0.000 0.000 0.251 774 N C -0.719 174.787 175.510 -0.007 0.000 1.101 774 N CA 0.339 53.399 53.050 0.017 0.000 0.764 774 N CB -1.002 37.517 38.487 0.053 0.000 1.122 774 N HN 0.261 nan 8.380 nan 0.000 0.561 775 I N -0.197 120.342 120.570 -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 -0.237 0.000 0.992 775 I CA 0.364 61.563 61.300 -0.167 0.000 1.268 775 I CB 1.584 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 3.951 112.527 108.800 -0.373 0.000 3.685 776 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.215 776 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.215 776 G C 0.395 174.914 174.900 -0.636 0.000 0.987 776 G CA -0.246 44.465 45.100 -0.649 0.000 0.884 776 G HN 0.461 nan 8.290 nan 0.000 0.406 777 Y N 1.345 121.533 120.300 -0.187 0.000 2.544 777 Y HA 0.381 4.931 4.550 0.000 0.000 0.286 777 Y C 2.083 177.913 175.900 -0.116 0.000 1.141 777 Y CA 1.087 59.109 58.100 -0.131 0.000 1.299 777 Y CB 0.529 38.949 38.460 -0.065 0.000 1.030 777 Y HN 0.249 nan 8.280 nan 0.000 0.543 778 Q N -0.057 119.750 119.800 0.011 0.000 2.333 778 Q HA 0.437 4.777 4.340 -0.000 0.000 0.365 778 Q C -0.076 175.942 176.000 0.029 0.000 0.882 778 Q CA -0.113 55.709 55.803 0.032 0.000 1.124 778 Q CB 1.062 29.846 28.738 0.076 0.000 1.345 778 Q HN 0.358 nan 8.270 nan 0.000 0.409 779 G N 0.509 109.244 108.800 -0.108 0.000 2.675 779 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 779 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 779 G C -1.205 173.611 174.900 -0.140 0.000 1.215 779 G CA -1.053 44.009 45.100 -0.064 0.000 0.777 779 G HN 0.131 nan 8.290 nan 0.000 0.638 780 F N 1.421 121.433 119.950 0.102 0.000 2.436 780 F HA 0.826 5.353 4.527 0.000 0.000 0.340 780 F C 0.667 176.501 175.800 0.056 0.000 1.113 780 F CA -0.435 57.558 58.000 -0.012 0.000 1.022 780 F CB 1.595 40.679 39.000 0.140 0.000 1.128 780 F HN 0.736 nan 8.300 nan 0.000 0.466 781 Y N 0.102 120.496 120.300 0.157 0.000 2.656 781 Y HA 0.618 5.168 4.550 -0.000 0.000 0.334 781 Y C -1.043 174.732 175.900 -0.207 0.000 1.179 781 Y CA -2.094 56.004 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 0.342 nan 8.280 nan 0.000 0.456 782 I N 4.775 125.262 120.570 -0.138 0.000 2.668 782 I HA 0.126 4.296 4.170 -0.000 0.000 0.285 782 I C -1.907 173.968 176.117 -0.403 0.000 1.168 782 I CA -1.431 59.544 61.300 -0.541 0.000 1.424 782 I CB 0.506 38.316 38.000 -0.317 0.000 1.377 782 I HN 0.417 nan 8.210 nan 0.000 0.560 783 P HA 0.106 nan 4.420 nan 0.000 0.272 783 P C -0.704 176.363 177.300 -0.389 0.000 1.230 783 P CA -0.401 62.329 63.100 -0.616 0.000 0.788 783 P CB 0.569 31.497 31.700 -1.286 0.000 0.949 784 E N 0.346 120.357 120.200 -0.314 0.000 2.414 784 E HA 0.027 4.377 4.350 -0.000 0.000 0.263 784 E C 1.337 177.740 176.600 -0.328 0.000 1.000 784 E CA -0.010 56.218 56.400 -0.287 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 2.321 117.945 115.700 -0.126 0.000 2.381 785 S HA -0.296 4.174 4.470 -0.000 0.000 0.230 785 S C 1.779 176.370 174.600 -0.015 0.000 1.052 785 S CA 2.002 60.179 58.200 -0.038 0.000 1.068 785 S CB -0.525 62.700 63.200 0.043 0.000 0.918 785 S HN 0.695 nan 8.310 nan 0.000 0.448 786 Y N 1.158 121.469 120.300 0.018 0.000 2.497 786 Y HA 0.158 4.708 4.550 -0.000 0.000 0.292 786 Y C 1.651 177.588 175.900 0.061 0.000 1.137 786 Y CA 0.605 58.723 58.100 0.030 0.000 1.285 786 Y CB -0.444 38.029 38.460 0.022 0.000 0.991 786 Y HN 0.087 nan 8.280 nan 0.000 0.556 787 K N -0.347 119.827 120.400 -0.376 0.000 2.352 787 K HA 0.006 4.326 4.320 -0.000 0.000 0.194 787 K C -0.138 176.535 176.600 0.121 0.000 1.038 787 K CA 0.540 56.752 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 0.118 nan 8.250 nan 0.000 0.519 788 D N 2.127 122.553 120.400 0.043 0.000 2.638 788 D HA 0.046 4.686 4.640 -0.000 0.000 0.245 788 D C -0.052 176.318 176.300 0.117 0.000 1.176 788 D CA -0.260 53.833 54.000 0.156 0.000 0.996 788 D CB 0.233 41.034 40.800 0.002 0.000 1.012 788 D HN -0.092 nan 8.370 nan 0.000 0.515 789 R N 1.108 121.683 120.500 0.125 0.000 2.954 789 R HA 0.118 4.458 4.340 -0.000 0.000 0.276 789 R C 1.543 177.850 176.300 0.012 0.000 1.218 789 R CA -0.498 55.639 56.100 0.063 0.000 1.149 789 R CB -0.327 30.019 30.300 0.078 0.000 1.112 789 R HN 0.342 nan 8.270 nan 0.000 0.577 790 M N 0.068 119.604 119.600 -0.108 0.000 2.159 790 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 790 M C 0.424 176.558 176.300 -0.277 0.000 1.063 790 M CA 1.851 56.987 55.300 -0.273 0.000 1.110 790 M CB 0.114 32.403 32.600 -0.518 0.000 1.374 790 M HN 0.419 nan 8.290 nan 0.000 0.411 791 Y N -0.167 120.172 120.300 0.064 0.000 2.571 791 Y HA 0.335 4.885 4.550 -0.000 0.000 0.275 791 Y C 0.739 176.689 175.900 0.083 0.000 1.179 791 Y CA -0.576 57.571 58.100 0.080 0.000 1.242 791 Y CB -0.360 38.144 38.460 0.074 0.000 1.126 791 Y HN 0.016 nan 8.280 nan 0.000 0.524 792 S N 0.213 116.031 115.700 0.197 0.000 2.632 792 S HA 0.062 4.532 4.470 -0.000 0.000 0.267 792 S C 0.953 175.698 174.600 0.242 0.000 1.276 792 S CA -0.665 57.657 58.200 0.202 0.000 0.998 792 S CB 0.612 63.968 63.200 0.260 0.000 0.953 792 S HN 0.374 nan 8.310 nan 0.000 0.547 793 F N 1.608 121.627 119.950 0.116 0.000 2.031 793 F HA -0.080 4.447 4.527 0.000 0.000 0.295 793 F C 1.829 177.784 175.800 0.258 0.000 1.133 793 F CA 1.376 59.455 58.000 0.131 0.000 1.188 793 F CB -0.771 38.245 39.000 0.027 0.000 0.974 793 F HN 0.647 nan 8.300 nan 0.000 0.473 794 F N 1.414 121.209 119.950 -0.259 0.000 2.065 794 F HA -0.233 4.294 4.527 0.000 0.000 0.298 794 F C 2.744 178.469 175.800 -0.124 0.000 1.112 794 F CA 2.318 60.108 58.000 -0.350 0.000 1.212 794 F CB -0.669 38.239 39.000 -0.153 0.000 0.975 794 F HN 0.019 nan 8.300 nan 0.000 0.476 795 R N 0.890 121.437 120.500 0.079 0.000 2.154 795 R HA -0.192 4.148 4.340 -0.000 0.000 0.248 795 R C 1.316 177.570 176.300 -0.076 0.000 1.155 795 R CA 2.220 58.328 56.100 0.013 0.000 0.979 795 R CB -0.713 29.633 30.300 0.077 0.000 0.869 795 R HN 0.355 nan 8.270 nan 0.000 0.452 796 N N -0.790 117.883 118.700 -0.046 0.000 2.205 796 N HA -0.029 4.710 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 -0.086 52.974 53.050 0.017 0.000 0.867 796 N CB 0.263 38.818 38.487 0.113 0.000 0.996 796 N HN 0.079 nan 8.380 nan 0.000 0.503 797 F N 3.088 122.844 119.950 -0.324 0.000 2.471 797 F HA 0.175 4.702 4.527 0.000 0.000 0.365 797 F C -0.032 175.650 175.800 -0.196 0.000 1.095 797 F CA -0.251 57.575 58.000 -0.291 0.000 1.174 797 F CB 0.531 39.129 39.000 -0.669 0.000 1.105 797 F HN -0.171 nan 8.300 nan 0.000 0.535 798 Q N 8.917 128.468 119.800 -0.416 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 -1.934 53.622 55.803 -0.413 0.000 0.734 798 Q CB 1.443 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 -0.518 176.715 177.300 -0.112 0.000 1.227 799 P CA -0.106 62.802 63.100 -0.320 0.000 0.781 799 P CB 1.071 32.543 31.700 -0.381 0.000 0.906 800 M N 1.135 120.745 119.600 0.018 0.000 2.531 800 M HA 0.441 4.921 4.480 -0.000 0.000 0.286 800 M C -0.456 176.048 176.300 0.339 0.000 1.232 800 M CA -0.364 55.013 55.300 0.128 0.000 0.877 800 M CB 2.713 35.323 32.600 0.017 0.000 1.726 800 M HN 0.195 nan 8.290 nan 0.000 0.463 801 S N 0.529 116.475 115.700 0.410 0.000 2.579 801 S HA 0.874 5.344 4.470 -0.000 0.000 0.272 801 S C -1.475 173.175 174.600 0.084 0.000 1.141 801 S CA -0.954 57.428 58.200 0.304 0.000 0.843 801 S CB 2.731 66.009 63.200 0.130 0.000 1.122 801 S HN 0.792 nan 8.310 nan 0.000 0.468 802 R N 0.610 120.951 120.500 -0.264 0.000 2.728 802 R HA 0.696 5.036 4.340 -0.000 0.000 0.274 802 R C -2.116 173.967 176.300 -0.361 0.000 1.030 802 R CA -0.957 54.876 56.100 -0.445 0.000 0.876 802 R CB 0.739 30.426 30.300 -1.022 0.000 1.259 802 R HN 0.417 nan 8.270 nan 0.000 0.468 803 Q N 0.219 119.849 119.800 -0.283 0.000 2.351 803 Q HA 0.714 5.054 4.340 -0.000 0.000 0.273 803 Q C -1.177 174.697 176.000 -0.211 0.000 1.077 803 Q CA -0.680 55.000 55.803 -0.206 0.000 0.843 803 Q CB 2.894 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 -2.236 117.579 119.914 -0.165 0.000 3.120 804 V HA 0.697 4.817 4.120 -0.000 0.000 0.303 804 V C -0.365 175.658 176.094 -0.118 0.000 1.238 804 V CA -1.413 60.812 62.300 -0.127 0.000 1.008 804 V CB 1.220 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 -0.443 119.410 119.914 -0.102 0.000 2.720 805 V HA 0.193 4.313 4.120 -0.000 0.000 0.307 805 V C 0.393 176.376 176.094 -0.184 0.000 1.071 805 V CA 0.444 62.636 62.300 -0.181 0.000 1.199 805 V CB 0.266 31.973 31.823 -0.193 0.000 0.900 805 V HN 1.056 nan 8.190 nan 0.000 0.494 806 D N 4.314 124.602 120.400 -0.186 0.000 2.374 806 D HA 0.044 4.684 4.640 -0.000 0.000 0.240 806 D C 1.101 177.255 176.300 -0.244 0.000 1.229 806 D CA -0.068 53.833 54.000 -0.165 0.000 0.895 806 D CB 0.965 41.705 40.800 -0.100 0.000 1.046 806 D HN 0.863 nan 8.370 nan 0.000 0.498 807 D N 1.566 121.712 120.400 -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 -0.384 0.000 0.976 807 D CA 0.630 54.142 54.000 -0.814 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 -3.533 110.907 114.554 -0.190 0.000 3.044 808 T HA 0.254 4.604 4.350 -0.000 0.000 0.260 808 T C 1.398 176.071 174.700 -0.045 0.000 1.019 808 T CA -0.407 61.639 62.100 -0.090 0.000 0.921 808 T CB 0.357 69.186 68.868 -0.066 0.000 1.053 808 T HN 0.023 nan 8.240 nan 0.000 0.533 809 K N -0.497 119.883 120.400 -0.032 0.000 2.502 809 K HA 0.221 4.541 4.320 -0.000 0.000 0.211 809 K C -0.651 175.984 176.600 0.059 0.000 1.259 809 K CA -0.400 55.889 56.287 0.003 0.000 0.983 809 K CB 0.708 33.206 32.500 -0.004 0.000 1.054 809 K HN 0.300 nan 8.250 nan 0.000 0.572 810 Y N 3.440 123.689 120.300 -0.086 0.000 2.556 810 Y HA 0.103 4.653 4.550 -0.000 0.000 0.352 810 Y C 0.842 176.735 175.900 -0.011 0.000 1.006 810 Y CA -0.595 57.464 58.100 -0.068 0.000 1.277 810 Y CB 0.267 38.652 38.460 -0.125 0.000 1.136 810 Y HN -0.101 nan 8.280 nan 0.000 0.523 811 K N 2.294 122.521 120.400 -0.288 0.000 2.077 811 K HA -0.223 4.097 4.320 -0.000 0.000 0.213 811 K C 0.582 176.936 176.600 -0.409 0.000 1.051 811 K CA 2.156 58.270 56.287 -0.288 0.000 0.929 811 K CB 0.076 32.455 32.500 -0.202 0.000 0.715 811 K HN 0.689 nan 8.250 nan 0.000 0.451 812 D N -0.232 119.666 120.400 -0.836 0.000 2.319 812 D HA -0.060 4.580 4.640 -0.000 0.000 0.230 812 D C -0.037 176.056 176.300 -0.345 0.000 1.094 812 D CA 0.026 53.692 54.000 -0.557 0.000 0.856 812 D CB -0.320 40.213 40.800 -0.445 0.000 0.915 812 D HN 0.139 nan 8.370 nan 0.000 0.517 813 Y N 2.357 122.410 120.300 -0.412 0.000 2.811 813 Y HA -0.062 4.488 4.550 0.000 0.000 0.334 813 Y C 0.097 176.057 175.900 0.100 0.000 1.247 813 Y CA 0.531 58.631 58.100 0.001 0.000 1.526 813 Y CB 0.352 38.839 38.460 0.046 0.000 1.284 813 Y HN -0.154 nan 8.280 nan 0.000 0.586 814 Q N 5.796 125.232 119.800 -0.608 0.000 2.263 814 Q HA 0.148 4.488 4.340 -0.000 0.000 0.266 814 Q C -1.338 174.264 176.000 -0.663 0.000 1.002 814 Q CA -0.706 54.825 55.803 -0.452 0.000 0.790 814 Q CB 2.005 30.677 28.738 -0.110 0.000 1.272 814 Q HN 0.786 nan 8.270 nan 0.000 0.435 815 Q N 2.407 121.916 119.800 -0.485 0.000 2.323 815 Q HA 0.418 4.758 4.340 -0.000 0.000 0.257 815 Q C -1.058 174.910 176.000 -0.052 0.000 1.022 815 Q CA -0.164 55.536 55.803 -0.172 0.000 0.919 815 Q CB 0.666 29.450 28.738 0.077 0.000 1.220 815 Q HN 0.360 nan 8.270 nan 0.000 0.427 816 V N 3.641 123.543 119.914 -0.021 0.000 2.487 816 V HA 0.592 4.712 4.120 -0.000 0.000 0.298 816 V C 0.551 176.600 176.094 -0.074 0.000 1.028 816 V CA -0.726 61.553 62.300 -0.036 0.000 0.860 816 V CB 1.568 33.346 31.823 -0.075 0.000 0.991 816 V HN 0.859 nan 8.190 nan 0.000 0.427 817 G N 2.272 111.062 108.800 -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 -0.536 44.532 45.100 -0.053 0.000 0.960 817 G HN 0.740 nan 8.290 nan 0.000 0.497 818 I N -0.540 119.951 120.570 -0.131 0.000 2.236 818 I HA -0.218 3.952 4.170 -0.000 0.000 0.249 818 I C 2.488 178.530 176.117 -0.126 0.000 1.102 818 I CA 1.098 62.316 61.300 -0.136 0.000 1.365 818 I CB -0.990 36.952 38.000 -0.098 0.000 1.051 818 I HN 0.363 nan 8.210 nan 0.000 0.420 819 L N -0.263 120.856 121.223 -0.174 0.000 2.129 819 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 819 L C 1.688 178.299 176.870 -0.432 0.000 1.087 819 L CA 1.812 56.465 54.840 -0.311 0.000 0.757 819 L CB -0.710 41.089 42.059 -0.434 0.000 0.896 819 L HN 0.467 nan 8.230 nan 0.000 0.434 820 H N -2.593 116.494 119.070 0.029 0.000 2.785 820 H HA 0.231 4.787 4.556 -0.000 0.000 0.268 820 H C -0.123 175.194 175.328 -0.018 0.000 1.153 820 H CA -0.360 55.706 56.048 0.029 0.000 1.111 820 H CB 0.387 30.148 29.762 -0.001 0.000 1.633 820 H HN 0.294 nan 8.280 nan 0.000 0.576 821 Q N 1.369 121.160 119.800 -0.014 0.000 2.243 821 Q HA 0.298 4.638 4.340 -0.000 0.000 0.252 821 Q C -0.654 175.373 176.000 0.045 0.000 0.909 821 Q CA -0.665 55.066 55.803 -0.120 0.000 0.922 821 Q CB 1.152 29.683 28.738 -0.346 0.000 1.215 821 Q HN 0.528 nan 8.270 nan 0.000 0.427 822 H N -0.349 118.762 119.070 0.067 0.000 2.840 822 H HA 0.566 5.122 4.556 0.000 0.000 0.340 822 H C -1.461 173.923 175.328 0.094 0.000 1.004 822 H CA -0.955 55.147 56.048 0.090 0.000 1.288 822 H CB 1.091 30.892 29.762 0.064 0.000 1.607 822 H HN 0.431 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 -0.744 174.932 175.510 0.277 0.000 1.107 823 N CA -0.377 52.777 53.050 0.173 0.000 0.904 823 N CB 0.910 39.351 38.487 -0.076 0.000 1.500 823 N HN 0.869 nan 8.380 nan 0.000 0.510 824 N N 0.223 119.099 118.700 0.293 0.000 2.882 824 N HA -0.157 4.583 4.740 -0.000 0.000 0.249 824 N C -0.669 175.048 175.510 0.345 0.000 1.079 824 N CA 1.046 54.331 53.050 0.392 0.000 0.800 824 N CB -1.456 37.230 38.487 0.332 0.000 1.124 824 N HN 0.735 nan 8.380 nan 0.000 0.557 825 S N -0.888 114.941 115.700 0.215 0.000 2.552 825 S HA 0.395 4.865 4.470 -0.000 0.000 0.289 825 S C 1.628 176.107 174.600 -0.202 0.000 1.304 825 S CA 0.984 59.206 58.200 0.036 0.000 1.063 825 S CB 1.534 64.726 63.200 -0.013 0.000 0.848 825 S HN 1.029 nan 8.310 nan 0.000 0.499 826 G N 1.980 110.603 108.800 -0.295 0.000 2.268 826 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.240 826 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.240 826 G C 0.242 174.751 174.900 -0.653 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 0.545 120.503 119.950 0.013 0.000 2.706 827 F HA 0.610 5.137 4.527 0.000 0.000 0.308 827 F C 0.984 176.785 175.800 0.001 0.000 1.095 827 F CA -0.194 57.811 58.000 0.008 0.000 1.244 827 F CB 0.848 39.861 39.000 0.022 0.000 1.063 827 F HN 0.156 nan 8.300 nan 0.000 0.582 828 V N -0.927 119.059 119.914 0.121 0.000 3.126 828 V HA 0.766 4.886 4.120 -0.000 0.000 0.314 828 V C 0.525 176.631 176.094 0.019 0.000 1.138 828 V CA -1.222 61.119 62.300 0.069 0.000 1.034 828 V CB 1.504 33.386 31.823 0.098 0.000 1.075 828 V HN 0.078 nan 8.190 nan 0.000 0.442 829 G N -0.572 108.221 108.800 -0.012 0.000 2.599 829 G HA2 0.363 4.323 3.960 -0.000 0.000 0.264 829 G HA3 0.363 4.323 3.960 -0.000 0.000 0.264 829 G C -1.240 173.697 174.900 0.061 0.000 1.200 829 G CA -0.144 44.945 45.100 -0.018 0.000 0.896 829 G HN 0.684 nan 8.290 nan 0.000 0.536 830 Y N 1.014 121.266 120.300 -0.079 0.000 2.404 830 Y HA 0.365 4.915 4.550 0.000 0.000 0.344 830 Y C 1.050 176.928 175.900 -0.037 0.000 0.970 830 Y CA -0.960 57.104 58.100 -0.060 0.000 1.180 830 Y CB 0.332 38.744 38.460 -0.079 0.000 1.138 830 Y HN 0.464 nan 8.280 nan 0.000 0.510 831 L N 4.190 125.177 121.223 -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 -0.079 0.000 1.177 831 L CA 0.787 55.414 54.840 -0.354 0.000 0.968 831 L CB -2.056 39.585 42.059 -0.697 0.000 1.933 831 L HN 0.720 nan 8.230 nan 0.000 0.976 832 A N -1.246 121.533 122.820 -0.068 0.000 2.601 832 A HA 0.728 5.048 4.320 -0.000 0.000 0.291 832 A C -2.465 175.040 177.584 -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 -0.004 0.000 1.277 832 A HN -0.085 nan 8.150 nan 0.000 0.417 833 P HA 0.133 nan 4.420 nan 0.000 0.243 833 P C 0.344 177.513 177.300 -0.219 0.000 1.668 833 P CA 0.493 63.393 63.100 -0.333 0.000 0.898 833 P CB -0.580 30.831 31.700 -0.482 0.000 1.637 834 T N -3.983 110.474 114.554 -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 -0.147 0.000 1.004 834 T CA -1.105 60.903 62.100 -0.152 0.000 0.950 834 T CB 0.485 69.255 68.868 -0.163 0.000 1.309 834 T HN -0.010 nan 8.240 nan 0.000 0.592 835 M N 1.806 121.311 119.600 -0.159 0.000 2.245 835 M HA 0.110 4.590 4.480 -0.000 0.000 0.335 835 M C 0.338 176.573 176.300 -0.109 0.000 1.155 835 M CA -0.492 54.729 55.300 -0.132 0.000 1.055 835 M CB 0.419 32.929 32.600 -0.150 0.000 1.670 835 M HN 0.770 nan 8.290 nan 0.000 0.447 836 R N 3.565 124.021 120.500 -0.073 0.000 2.734 836 R HA 0.221 4.561 4.340 -0.000 0.000 0.266 836 R C -0.746 175.501 176.300 -0.088 0.000 1.044 836 R CA 0.051 56.118 56.100 -0.055 0.000 1.128 836 R CB 0.035 30.326 30.300 -0.015 0.000 1.010 836 R HN 0.747 nan 8.270 nan 0.000 0.461 837 E N -0.368 119.773 120.200 -0.099 0.000 2.437 837 E HA 0.583 4.933 4.350 -0.000 0.000 0.280 837 E C -0.435 176.069 176.600 -0.161 0.000 1.044 837 E CA -1.064 55.261 56.400 -0.126 0.000 0.826 837 E CB 0.983 30.615 29.700 -0.115 0.000 1.358 837 E HN 0.896 nan 8.360 nan 0.000 0.459 838 G N 0.554 109.243 108.800 -0.184 0.000 2.548 838 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.208 838 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.208 838 G C -1.149 173.601 174.900 -0.249 0.000 1.308 838 G CA -0.059 44.908 45.100 -0.222 0.000 0.924 838 G HN 0.975 nan 8.290 nan 0.000 0.540 839 Q N -0.991 118.647 119.800 -0.269 0.000 2.416 839 Q HA 0.783 5.123 4.340 -0.000 0.000 0.281 839 Q C -0.052 175.807 176.000 -0.234 0.000 1.067 839 Q CA -0.370 55.282 55.803 -0.252 0.000 0.809 839 Q CB 1.904 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 1.611 124.308 122.820 -0.204 0.000 2.507 840 A HA 0.457 4.777 4.320 -0.000 0.000 0.235 840 A C -1.124 176.571 177.584 0.184 0.000 1.070 840 A CA 0.472 52.494 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 0.672 nan 8.150 nan 0.000 0.502 841 Y N 0.303 120.609 120.300 0.010 0.000 2.643 841 Y HA 0.331 4.881 4.550 -0.000 0.000 0.347 841 Y C -2.447 173.500 175.900 0.078 0.000 1.208 841 Y CA -1.323 56.775 58.100 -0.003 0.000 1.245 841 Y CB 1.285 39.670 38.460 -0.126 0.000 1.369 841 Y HN 0.663 nan 8.280 nan 0.000 0.487 842 P HA 0.301 nan 4.420 nan 0.000 0.264 842 P C -0.662 176.751 177.300 0.187 0.000 1.183 842 P CA 0.141 63.230 63.100 -0.019 0.000 0.763 842 P CB 0.706 32.317 31.700 -0.148 0.000 0.807 843 A N 3.300 126.196 122.820 0.126 0.000 2.386 843 A HA 0.155 4.475 4.320 -0.000 0.000 0.248 843 A C 1.148 178.699 177.584 -0.054 0.000 1.082 843 A CA -0.318 51.772 52.037 0.090 0.000 0.789 843 A CB -0.127 18.861 19.000 -0.020 0.000 1.025 843 A HN 0.719 nan 8.150 nan 0.000 0.490 844 N N -0.260 118.285 118.700 -0.259 0.000 2.177 844 N HA 0.230 4.970 4.740 -0.000 0.000 0.218 844 N C -0.761 174.634 175.510 -0.192 0.000 1.182 844 N CA -0.075 52.816 53.050 -0.266 0.000 0.882 844 N CB 0.312 38.536 38.487 -0.439 0.000 1.052 844 N HN 0.418 nan 8.380 nan 0.000 0.519 845 F N 0.948 120.667 119.950 -0.384 0.000 2.650 845 F HA 0.602 5.129 4.527 -0.000 0.000 0.310 845 F C -2.880 172.649 175.800 -0.452 0.000 1.112 845 F CA -1.480 56.284 58.000 -0.394 0.000 0.986 845 F CB 2.158 40.980 39.000 -0.297 0.000 1.285 845 F HN -0.198 nan 8.300 nan 0.000 0.440 846 P HA 0.278 nan 4.420 nan 0.000 0.287 846 P C -1.424 175.493 177.300 -0.638 0.000 1.296 846 P CA -0.315 61.972 63.100 -1.355 0.000 0.811 846 P CB 1.252 32.251 31.700 -1.169 0.000 1.211 847 Y N -0.182 119.885 120.300 -0.388 0.000 2.411 847 Y HA 0.200 4.750 4.550 0.000 0.000 0.333 847 Y C -1.443 174.334 175.900 -0.205 0.000 1.186 847 Y CA -1.264 56.709 58.100 -0.211 0.000 1.381 847 Y CB -0.991 37.374 38.460 -0.159 0.000 1.273 847 Y HN 0.213 nan 8.280 nan 0.000 0.546 848 P HA 0.141 nan 4.420 nan 0.000 0.276 848 P C -0.021 177.242 177.300 -0.062 0.000 1.243 848 P CA 0.172 63.251 63.100 -0.035 0.000 0.768 848 P CB 0.582 32.270 31.700 -0.021 0.000 0.856 849 L N 3.335 124.517 121.223 -0.067 0.000 2.640 849 L HA 0.299 4.639 4.340 -0.000 0.000 0.230 849 L C 0.934 177.765 176.870 -0.065 0.000 1.123 849 L CA 0.095 54.886 54.840 -0.082 0.000 0.900 849 L CB -0.128 41.882 42.059 -0.082 0.000 1.146 849 L HN 0.388 nan 8.230 nan 0.000 0.484 850 I N -4.047 116.493 120.570 -0.050 0.000 3.042 850 I HA 0.895 5.065 4.170 -0.000 0.000 0.310 850 I C 0.424 176.523 176.117 -0.030 0.000 1.117 850 I CA -0.633 60.644 61.300 -0.037 0.000 1.003 850 I CB 1.788 39.771 38.000 -0.029 0.000 1.228 850 I HN 0.045 nan 8.210 nan 0.000 0.443 851 G N 3.279 112.065 108.800 -0.023 0.000 2.693 851 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.226 851 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.226 851 G C 0.156 175.047 174.900 -0.014 0.000 1.354 851 G CA 0.254 45.344 45.100 -0.016 0.000 0.873 851 G HN 0.924 nan 8.290 nan 0.000 0.562 852 K N -0.231 120.165 120.400 -0.007 0.000 2.097 852 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 852 K C 2.999 179.600 176.600 0.002 0.000 1.049 852 K CA 2.300 58.586 56.287 -0.001 0.000 0.933 852 K CB -0.446 32.056 32.500 0.003 0.000 0.717 852 K HN 0.795 nan 8.250 nan 0.000 0.442 853 T N -0.072 114.482 114.554 0.000 0.000 2.788 853 T HA -0.046 4.304 4.350 -0.000 0.000 0.268 853 T C 1.114 175.804 174.700 -0.016 0.000 1.044 853 T CA 0.553 62.657 62.100 0.006 0.000 1.139 853 T CB -0.427 68.443 68.868 0.003 0.000 0.867 853 T HN 0.182 nan 8.240 nan 0.000 0.454 854 A N 2.579 125.376 122.820 -0.038 0.000 2.584 854 A HA 0.438 4.758 4.320 -0.000 0.000 0.239 854 A C 0.736 178.247 177.584 -0.122 0.000 1.043 854 A CA -0.046 51.945 52.037 -0.077 0.000 0.756 854 A CB -0.415 18.546 19.000 -0.066 0.000 0.963 854 A HN 1.067 nan 8.150 nan 0.000 0.511 855 V N 1.831 121.600 119.914 -0.242 0.000 2.834 855 V HA 0.321 4.441 4.120 -0.000 0.000 0.301 855 V C 0.045 175.939 176.094 -0.334 0.000 1.066 855 V CA -1.037 60.968 62.300 -0.493 0.000 1.052 855 V CB 0.970 32.248 31.823 -0.907 0.000 1.021 855 V HN 0.788 nan 8.190 nan 0.000 0.480 856 D N 3.582 123.813 120.400 -0.281 0.000 2.487 856 D HA 0.232 4.872 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 0.818 54.744 54.000 -0.124 0.000 0.876 856 D CB 0.976 41.775 40.800 -0.002 0.000 1.161 856 D HN 1.014 nan 8.370 nan 0.000 0.478 857 S N 2.029 117.654 115.700 -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 2.207 65.334 63.200 -0.122 0.000 1.127 857 S HN 0.473 nan 8.310 nan 0.000 0.511 858 I N 0.452 120.964 120.570 -0.097 0.000 2.730 858 I HA 0.526 4.696 4.170 -0.000 0.000 0.298 858 I C -1.079 174.988 176.117 -0.083 0.000 1.089 858 I CA -0.379 60.876 61.300 -0.076 0.000 1.041 858 I CB 2.375 40.333 38.000 -0.071 0.000 1.235 858 I HN 0.773 nan 8.210 nan 0.000 0.423 859 T N 5.304 119.822 114.554 -0.060 0.000 2.867 859 T HA 0.451 4.801 4.350 -0.000 0.000 0.282 859 T C -0.891 173.786 174.700 -0.038 0.000 1.000 859 T CA -0.406 61.657 62.100 -0.062 0.000 1.042 859 T CB 1.350 70.199 68.868 -0.032 0.000 0.973 859 T HN 0.509 nan 8.240 nan 0.000 0.465 860 Q N 1.668 121.430 119.800 -0.063 0.000 2.337 860 Q HA 0.540 4.880 4.340 -0.000 0.000 0.270 860 Q C -0.833 175.271 176.000 0.173 0.000 1.043 860 Q CA -0.676 55.149 55.803 0.037 0.000 0.794 860 Q CB 2.481 31.216 28.738 -0.004 0.000 1.281 860 Q HN 0.393 nan 8.270 nan 0.000 0.446 861 K N 1.890 122.440 120.400 0.249 0.000 2.316 861 K HA 0.578 4.898 4.320 -0.000 0.000 0.251 861 K C -1.100 175.673 176.600 0.288 0.000 0.934 861 K CA -0.587 55.875 56.287 0.291 0.000 0.802 861 K CB 1.548 34.163 32.500 0.193 0.000 1.171 861 K HN 0.609 nan 8.250 nan 0.000 0.426 862 K N 0.811 121.357 120.400 0.243 0.000 2.544 862 K HA 0.514 4.834 4.320 -0.000 0.000 0.282 862 K C -1.537 175.166 176.600 0.172 0.000 1.020 862 K CA -0.948 55.421 56.287 0.136 0.000 0.830 862 K CB 1.069 33.526 32.500 -0.071 0.000 1.521 862 K HN 0.421 nan 8.250 nan 0.000 0.376 863 F N -1.139 118.819 119.950 0.013 0.000 2.741 863 F HA 0.714 5.241 4.527 0.000 0.000 0.311 863 F C -2.373 173.437 175.800 0.017 0.000 1.149 863 F CA -1.170 56.829 58.000 -0.002 0.000 0.930 863 F CB 1.039 40.139 39.000 0.166 0.000 1.312 863 F HN 0.354 nan 8.300 nan 0.000 0.450 864 L N 1.910 123.218 121.223 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 0.456 0.000 1.009 864 L CA -0.742 54.130 54.840 0.052 0.000 0.819 864 L CB 2.017 44.009 42.059 -0.112 0.000 1.323 864 L HN 1.021 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 -0.687 174.471 174.990 0.279 0.000 0.984 865 C CA -0.843 58.431 59.018 0.427 0.000 1.142 865 C CB -0.963 27.161 27.740 0.640 0.000 1.721 865 C HN 0.793 nan 8.230 nan 0.000 0.628 866 D N 1.657 122.238 120.400 0.302 0.000 2.371 866 D HA 0.227 4.867 4.640 -0.000 0.000 0.242 866 D C 0.981 177.508 176.300 0.378 0.000 1.218 866 D CA 0.133 54.368 54.000 0.391 0.000 0.945 866 D CB 0.436 41.538 40.800 0.504 0.000 1.137 866 D HN 0.726 nan 8.370 nan 0.000 0.464 867 R N -1.767 119.031 120.500 0.496 0.000 3.484 867 R HA -0.238 4.102 4.340 -0.000 0.000 0.260 867 R C -0.667 175.919 176.300 0.476 0.000 1.053 867 R CA 0.960 57.361 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 0.353 nan 8.270 nan 0.000 0.459 868 T N -0.281 114.453 114.554 0.300 0.000 2.865 868 T HA 0.716 5.066 4.350 -0.000 0.000 0.294 868 T C -1.001 173.591 174.700 -0.180 0.000 1.119 868 T CA -0.866 61.305 62.100 0.118 0.000 1.007 868 T CB 1.401 70.310 68.868 0.068 0.000 1.225 868 T HN 0.270 nan 8.240 nan 0.000 0.515 869 L N 1.900 122.955 121.223 -0.280 0.000 2.346 869 L HA 0.553 4.893 4.340 -0.000 0.000 0.276 869 L C -0.617 175.989 176.870 -0.441 0.000 1.006 869 L CA -0.972 53.564 54.840 -0.507 0.000 0.817 869 L CB 1.759 43.546 42.059 -0.454 0.000 1.272 869 L HN 0.717 nan 8.230 nan 0.000 0.421 870 W N 2.779 123.718 121.300 -0.603 0.000 2.181 870 W HA 0.338 4.998 4.660 -0.000 0.000 0.335 870 W C 0.245 176.373 176.519 -0.651 0.000 1.310 870 W CA -0.505 56.431 57.345 -0.681 0.000 1.226 870 W CB 0.609 29.315 29.460 -1.257 0.000 1.155 870 W HN 0.287 nan 8.180 nan 0.000 0.565 871 R N 3.197 123.577 120.500 -0.200 0.000 2.628 871 R HA 0.570 4.910 4.340 -0.000 0.000 0.288 871 R C -1.044 175.140 176.300 -0.193 0.000 0.980 871 R CA -0.956 55.029 56.100 -0.191 0.000 0.891 871 R CB 1.874 32.042 30.300 -0.221 0.000 1.188 871 R HN 0.435 nan 8.270 nan 0.000 0.450 872 I N 4.198 124.782 120.570 0.024 0.000 2.583 872 I HA 0.264 4.434 4.170 -0.000 0.000 0.276 872 I C -2.296 174.047 176.117 0.376 0.000 1.089 872 I CA -2.080 59.286 61.300 0.110 0.000 1.103 872 I CB 2.060 40.099 38.000 0.065 0.000 1.209 872 I HN 0.282 nan 8.210 nan 0.000 0.484 873 P HA 0.056 nan 4.420 nan 0.000 0.275 873 P C -0.480 177.125 177.300 0.508 0.000 1.228 873 P CA -0.257 63.007 63.100 0.274 0.000 0.786 873 P CB 1.012 32.821 31.700 0.181 0.000 0.927 874 F N 2.431 122.373 119.950 -0.013 0.000 2.640 874 F HA 0.298 4.825 4.527 -0.000 0.000 0.354 874 F C 0.356 176.205 175.800 0.082 0.000 1.213 874 F CA -0.141 57.839 58.000 -0.032 0.000 1.314 874 F CB -0.598 38.127 39.000 -0.459 0.000 1.679 874 F HN 0.119 nan 8.300 nan 0.000 0.622 875 S N 0.646 116.459 115.700 0.188 0.000 2.538 875 S HA 0.311 4.781 4.470 -0.000 0.000 0.288 875 S C 0.968 175.523 174.600 -0.075 0.000 1.108 875 S CA -0.070 58.144 58.200 0.024 0.000 0.971 875 S CB 1.253 64.496 63.200 0.072 0.000 1.041 875 S HN 0.503 nan 8.310 nan 0.000 0.483 876 S N 3.457 119.078 115.700 -0.131 0.000 2.420 876 S HA -0.181 4.289 4.470 -0.000 0.000 0.237 876 S C 0.922 175.328 174.600 -0.322 0.000 1.023 876 S CA 1.790 59.870 58.200 -0.200 0.000 0.991 876 S CB -0.629 62.489 63.200 -0.136 0.000 0.792 876 S HN 0.868 nan 8.310 nan 0.000 0.488 877 N N -0.556 118.006 118.700 -0.230 0.000 2.197 877 N HA 0.245 4.985 4.740 -0.000 0.000 0.228 877 N C 0.267 175.805 175.510 0.047 0.000 1.212 877 N CA -0.380 52.584 53.050 -0.145 0.000 0.883 877 N CB -0.964 37.500 38.487 -0.039 0.000 1.107 877 N HN 0.427 nan 8.380 nan 0.000 0.519 878 F N -1.242 118.789 119.950 0.134 0.000 2.825 878 F HA -0.306 4.221 4.527 0.000 0.000 0.358 878 F C 0.453 176.282 175.800 0.048 0.000 0.639 878 F CA 0.527 58.590 58.000 0.105 0.000 1.153 878 F CB -1.464 37.578 39.000 0.070 0.000 1.610 878 F HN 0.081 nan 8.300 nan 0.000 0.305 879 M N 0.083 119.804 119.600 0.203 0.000 2.227 879 M HA 0.303 4.783 4.480 -0.000 0.000 0.316 879 M C 0.606 176.946 176.300 0.067 0.000 1.144 879 M CA 0.009 55.384 55.300 0.124 0.000 1.121 879 M CB 0.927 33.610 32.600 0.138 0.000 1.440 879 M HN -0.088 nan 8.290 nan 0.000 0.473 880 S N 2.203 117.924 115.700 0.035 0.000 2.430 880 S HA 0.407 4.877 4.470 -0.000 0.000 0.289 880 S C 0.215 174.827 174.600 0.020 0.000 1.143 880 S CA -0.418 57.789 58.200 0.012 0.000 1.067 880 S CB 0.291 63.485 63.200 -0.011 0.000 0.964 880 S HN 0.652 nan 8.310 nan 0.000 0.485 881 M N 2.387 121.997 119.600 0.017 0.000 2.504 881 M HA 0.327 4.807 4.480 -0.000 0.000 0.370 881 M C 0.512 176.822 176.300 0.016 0.000 1.110 881 M CA -0.202 55.108 55.300 0.017 0.000 0.938 881 M CB 0.978 33.585 32.600 0.012 0.000 1.460 881 M HN 0.817 nan 8.290 nan 0.000 0.535 882 G N -0.169 108.641 108.800 0.016 0.000 2.307 882 G HA2 0.286 4.246 3.960 -0.000 0.000 0.348 882 G HA3 0.286 4.246 3.960 -0.000 0.000 0.348 882 G C 0.095 175.017 174.900 0.036 0.000 1.603 882 G CA -0.498 44.618 45.100 0.026 0.000 0.961 882 G HN 0.098 nan 8.290 nan 0.000 0.686 883 A N 0.450 123.306 122.820 0.059 0.000 1.892 883 A HA 0.107 4.427 4.320 -0.000 0.000 0.218 883 A C 1.645 179.364 177.584 0.225 0.000 1.188 883 A CA 2.163 54.252 52.037 0.086 0.000 0.631 883 A CB -0.304 18.794 19.000 0.164 0.000 0.822 883 A HN 1.794 nan 8.150 nan 0.000 0.447 884 L N 2.285 123.679 121.223 0.285 0.000 2.334 884 L HA 0.292 4.632 4.340 -0.000 0.000 0.286 884 L C 0.904 177.842 176.870 0.114 0.000 1.108 884 L CA 0.313 55.305 54.840 0.253 0.000 0.875 884 L CB -0.428 41.674 42.059 0.072 0.000 1.246 884 L HN 0.432 nan 8.230 nan 0.000 0.439 885 T N 0.025 114.636 114.554 0.095 0.000 2.795 885 T HA 0.048 4.398 4.350 -0.000 0.000 0.314 885 T C 1.108 175.816 174.700 0.012 0.000 1.069 885 T CA 0.187 62.307 62.100 0.034 0.000 1.071 885 T CB 0.505 69.381 68.868 0.013 0.000 0.988 885 T HN 0.693 nan 8.240 nan 0.000 0.543 886 D N 1.226 121.613 120.400 -0.021 0.000 2.117 886 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 886 D C 2.074 178.343 176.300 -0.052 0.000 0.982 886 D CA 1.107 55.090 54.000 -0.029 0.000 0.828 886 D CB -0.606 40.172 40.800 -0.036 0.000 0.967 886 D HN 0.568 nan 8.370 nan 0.000 0.464 887 L N 0.395 121.526 121.223 -0.154 0.000 2.141 887 L HA 0.065 4.405 4.340 -0.000 0.000 0.209 887 L C 2.675 179.405 176.870 -0.232 0.000 1.094 887 L CA 1.187 55.844 54.840 -0.306 0.000 0.763 887 L CB -0.683 40.822 42.059 -0.923 0.000 0.908 887 L HN 0.199 nan 8.230 nan 0.000 0.437 888 G N 0.010 108.783 108.800 -0.046 0.000 2.470 888 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.220 888 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.220 888 G C 1.243 176.200 174.900 0.095 0.000 1.121 888 G CA 0.418 45.574 45.100 0.094 0.000 0.766 888 G HN 0.594 nan 8.290 nan 0.000 0.553 889 Q N -0.329 119.513 119.800 0.069 0.000 2.179 889 Q HA 0.188 4.528 4.340 -0.000 0.000 0.213 889 Q C 0.180 176.244 176.000 0.107 0.000 0.833 889 Q CA -0.496 55.355 55.803 0.079 0.000 0.990 889 Q CB 0.144 28.907 28.738 0.041 0.000 1.132 889 Q HN 0.369 nan 8.270 nan 0.000 0.493 890 N N 1.080 119.881 118.700 0.168 0.000 2.497 890 N HA 0.060 4.800 4.740 -0.000 0.000 0.268 890 N C 0.729 176.358 175.510 0.198 0.000 1.171 890 N CA -0.096 53.072 53.050 0.198 0.000 0.948 890 N CB 0.659 39.337 38.487 0.319 0.000 1.069 890 N HN 0.159 nan 8.380 nan 0.000 0.460 891 L N 2.886 124.174 121.223 0.109 0.000 2.189 891 L HA -0.197 4.143 4.340 -0.000 0.000 0.214 891 L C 2.031 178.945 176.870 0.075 0.000 1.097 891 L CA 0.559 55.450 54.840 0.085 0.000 0.764 891 L CB -0.484 41.605 42.059 0.049 0.000 0.900 891 L HN 0.676 nan 8.230 nan 0.000 0.436 892 L N -0.820 120.418 121.223 0.024 0.000 2.042 892 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 892 L C 2.333 179.127 176.870 -0.126 0.000 1.076 892 L CA 1.953 56.733 54.840 -0.100 0.000 0.749 892 L CB -0.645 41.239 42.059 -0.292 0.000 0.893 892 L HN 0.106 nan 8.230 nan 0.000 0.432 893 Y N -0.437 119.872 120.300 0.014 0.000 2.153 893 Y HA 0.004 4.554 4.550 -0.000 0.000 0.289 893 Y C 2.593 178.583 175.900 0.151 0.000 1.127 893 Y CA 1.358 59.493 58.100 0.058 0.000 1.131 893 Y CB -1.068 37.465 38.460 0.122 0.000 0.995 893 Y HN 0.258 nan 8.280 nan 0.000 0.505 894 A N 0.604 123.593 122.820 0.283 0.000 1.898 894 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 894 A C 1.919 179.585 177.584 0.137 0.000 1.181 894 A CA 1.924 54.072 52.037 0.186 0.000 0.620 894 A CB -0.712 18.371 19.000 0.138 0.000 0.819 894 A HN 0.438 nan 8.150 nan 0.000 0.442 895 N N 0.455 119.227 118.700 0.120 0.000 2.120 895 N HA -0.055 4.685 4.740 -0.000 0.000 0.188 895 N C 0.669 176.231 175.510 0.087 0.000 1.024 895 N CA 1.329 54.431 53.050 0.085 0.000 0.852 895 N CB -0.281 38.244 38.487 0.065 0.000 1.003 895 N HN 0.581 nan 8.380 nan 0.000 0.424 896 S N -1.019 114.760 115.700 0.133 0.000 2.536 896 S HA 0.792 5.262 4.470 -0.000 0.000 0.287 896 S C -0.505 174.201 174.600 0.178 0.000 1.101 896 S CA -1.101 57.157 58.200 0.097 0.000 0.950 896 S CB 2.600 65.812 63.200 0.020 0.000 1.056 896 S HN 0.286 nan 8.310 nan 0.000 0.481 897 A N 1.905 124.771 122.820 0.077 0.000 2.445 897 A HA 0.607 4.927 4.320 -0.000 0.000 0.242 897 A C -0.366 177.252 177.584 0.057 0.000 1.075 897 A CA 0.081 52.202 52.037 0.140 0.000 0.777 897 A CB -0.303 18.727 19.000 0.051 0.000 1.013 897 A HN 0.940 nan 8.150 nan 0.000 0.493 898 H N -0.942 118.319 119.070 0.319 0.000 2.895 898 H HA 0.652 5.208 4.556 -0.000 0.000 0.373 898 H C -0.011 175.575 175.328 0.431 0.000 1.174 898 H CA 0.419 56.656 56.048 0.315 0.000 1.144 898 H CB 1.960 31.871 29.762 0.249 0.000 1.793 898 H HN 0.943 nan 8.280 nan 0.000 0.551 899 A N 1.698 124.750 122.820 0.386 0.000 2.312 899 A HA 0.639 4.959 4.320 -0.000 0.000 0.328 899 A C -1.289 176.423 177.584 0.214 0.000 1.158 899 A CA -0.522 51.690 52.037 0.290 0.000 0.821 899 A CB 0.690 19.785 19.000 0.158 0.000 1.170 899 A HN 0.494 nan 8.150 nan 0.000 0.490 900 L N 1.209 122.514 121.223 0.137 0.000 2.365 900 L HA 0.681 5.021 4.340 -0.000 0.000 0.273 900 L C -1.508 175.331 176.870 -0.052 0.000 1.000 900 L CA -0.195 54.567 54.840 -0.130 0.000 0.819 900 L CB 2.092 44.005 42.059 -0.243 0.000 1.284 900 L HN 0.628 nan 8.230 nan 0.000 0.418 901 D N 5.471 125.788 120.400 -0.138 0.000 2.646 901 D HA 0.528 5.168 4.640 -0.000 0.000 0.245 901 D C -0.924 175.286 176.300 -0.150 0.000 1.099 901 D CA -0.072 53.878 54.000 -0.082 0.000 0.849 901 D CB 2.394 43.161 40.800 -0.054 0.000 1.448 901 D HN 0.520 nan 8.370 nan 0.000 0.489 902 M N 0.801 120.327 119.600 -0.123 0.000 2.457 902 M HA 0.328 4.808 4.480 -0.000 0.000 0.300 902 M C -1.100 175.092 176.300 -0.180 0.000 1.141 902 M CA -0.456 54.703 55.300 -0.235 0.000 0.901 902 M CB 2.686 35.159 32.600 -0.212 0.000 1.687 902 M HN 0.091 nan 8.290 nan 0.000 0.449 903 T N 3.183 117.552 114.554 -0.308 0.000 2.906 903 T HA 0.561 4.911 4.350 -0.000 0.000 0.302 903 T C -1.161 173.363 174.700 -0.293 0.000 1.002 903 T CA -0.360 61.636 62.100 -0.174 0.000 0.988 903 T CB 0.431 69.224 68.868 -0.124 0.000 0.972 903 T HN 0.265 nan 8.240 nan 0.000 0.447 904 F N 1.964 121.824 119.950 -0.151 0.000 2.421 904 F HA 0.531 5.058 4.527 -0.000 0.000 0.337 904 F C 0.771 176.520 175.800 -0.085 0.000 1.105 904 F CA -1.097 56.828 58.000 -0.125 0.000 1.049 904 F CB 1.367 40.312 39.000 -0.091 0.000 1.139 904 F HN 0.454 nan 8.300 nan 0.000 0.479 905 E N 3.006 123.260 120.200 0.089 0.000 2.176 905 E HA 0.651 5.001 4.350 -0.000 0.000 0.267 905 E C -1.503 175.101 176.600 0.008 0.000 0.893 905 E CA -0.742 55.671 56.400 0.022 0.000 0.761 905 E CB 1.620 31.308 29.700 -0.020 0.000 1.133 905 E HN 0.532 nan 8.360 nan 0.000 0.409 906 V N 0.563 120.441 119.914 -0.059 0.000 3.141 906 V HA 0.545 4.665 4.120 -0.000 0.000 0.312 906 V C -0.648 175.375 176.094 -0.118 0.000 1.157 906 V CA -1.116 61.091 62.300 -0.156 0.000 1.041 906 V CB 1.872 33.501 31.823 -0.323 0.000 1.071 906 V HN 0.575 nan 8.190 nan 0.000 0.441 907 D N 3.139 123.456 120.400 -0.138 0.000 2.389 907 D HA 0.385 5.025 4.640 -0.000 0.000 0.247 907 D C -2.367 173.881 176.300 -0.087 0.000 1.128 907 D CA -0.878 53.069 54.000 -0.087 0.000 0.884 907 D CB 1.147 41.898 40.800 -0.081 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 -0.658 176.625 177.300 -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 2.012 121.595 119.600 -0.028 0.000 2.395 909 M HA 0.170 4.651 4.480 -0.000 0.000 0.307 909 M C 0.146 176.446 176.300 0.001 0.000 1.091 909 M CA -0.607 54.687 55.300 -0.010 0.000 0.919 909 M CB 1.998 34.584 32.600 -0.024 0.000 1.662 909 M HN 0.249 nan 8.290 nan 0.000 0.440 910 D N 0.832 121.242 120.400 0.018 0.000 2.494 910 D HA 0.012 4.652 4.640 -0.000 0.000 0.249 910 D C -0.299 176.008 176.300 0.011 0.000 1.223 910 D CA 0.061 54.071 54.000 0.017 0.000 0.865 910 D CB -0.150 40.667 40.800 0.030 0.000 0.974 910 D HN 0.637 nan 8.370 nan 0.000 0.491 911 E N -1.842 118.361 120.200 0.004 0.000 2.390 911 E HA 0.398 4.748 4.350 -0.000 0.000 0.280 911 E C -3.259 173.335 176.600 -0.010 0.000 0.992 911 E CA -2.455 53.944 56.400 -0.001 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 -0.639 176.651 177.300 -0.017 0.000 1.195 912 P CA 0.473 63.562 63.100 -0.018 0.000 0.762 912 P CB 0.702 32.389 31.700 -0.022 0.000 0.799 913 T N 0.923 115.465 114.554 -0.019 0.000 2.773 913 T HA 0.805 5.155 4.350 -0.000 0.000 0.278 913 T C -0.792 173.905 174.700 -0.004 0.000 1.011 913 T CA -0.902 61.187 62.100 -0.018 0.000 1.014 913 T CB 0.885 69.728 68.868 -0.041 0.000 1.293 913 T HN 0.111 nan 8.240 nan 0.000 0.554 914 L N 0.643 121.875 121.223 0.015 0.000 2.455 914 L HA 0.572 4.912 4.340 -0.000 0.000 0.264 914 L C -1.388 175.541 176.870 0.099 0.000 0.968 914 L CA -1.215 53.654 54.840 0.048 0.000 0.827 914 L CB 2.283 44.363 42.059 0.034 0.000 1.317 914 L HN 0.602 nan 8.230 nan 0.000 0.407 915 L N 3.076 124.372 121.223 0.122 0.000 2.260 915 L HA 0.305 4.645 4.340 -0.000 0.000 0.289 915 L C -0.981 176.063 176.870 0.290 0.000 1.057 915 L CA 0.301 55.221 54.840 0.134 0.000 0.811 915 L CB 0.406 42.435 42.059 -0.051 0.000 1.184 915 L HN 0.492 nan 8.230 nan 0.000 0.429 916 Y N 5.881 126.277 120.300 0.159 0.000 2.434 916 Y HA 0.590 5.140 4.550 -0.000 0.000 0.341 916 Y C -0.974 175.027 175.900 0.167 0.000 0.965 916 Y CA -1.138 57.074 58.100 0.187 0.000 1.205 916 Y CB 1.037 39.622 38.460 0.210 0.000 1.121 916 Y HN 0.387 nan 8.280 nan 0.000 0.507 917 V N 7.493 127.641 119.914 0.390 0.000 2.417 917 V HA 0.268 4.388 4.120 -0.000 0.000 0.291 917 V C -0.336 175.797 176.094 0.065 0.000 1.024 917 V CA -0.879 61.495 62.300 0.124 0.000 0.861 917 V CB 1.532 33.433 31.823 0.130 0.000 0.985 917 V HN 0.624 nan 8.190 nan 0.000 0.436 918 L N 5.235 126.366 121.223 -0.153 0.000 2.265 918 L HA 0.512 4.852 4.340 -0.000 0.000 0.289 918 L C -0.678 176.114 176.870 -0.130 0.000 1.033 918 L CA 0.020 54.794 54.840 -0.109 0.000 0.814 918 L CB 0.939 42.859 42.059 -0.232 0.000 1.203 918 L HN 0.520 nan 8.230 nan 0.000 0.423 919 F N 2.047 121.992 119.950 -0.009 0.000 2.368 919 F HA 0.234 4.761 4.527 -0.000 0.000 0.362 919 F C 1.119 176.860 175.800 -0.098 0.000 1.137 919 F CA -0.560 57.457 58.000 0.029 0.000 1.161 919 F CB 0.593 39.493 39.000 -0.167 0.000 1.265 919 F HN 0.434 nan 8.300 nan 0.000 0.530 920 E N 3.509 123.657 120.200 -0.087 0.000 2.351 920 E HA 0.311 4.661 4.350 -0.000 0.000 0.266 920 E C 0.008 176.477 176.600 -0.217 0.000 1.031 920 E CA -0.148 56.102 56.400 -0.250 0.000 0.911 920 E CB 0.902 30.366 29.700 -0.393 0.000 0.986 920 E HN 0.503 nan 8.360 nan 0.000 0.446 921 V N 0.161 119.958 119.914 -0.195 0.000 3.109 921 V HA 0.581 4.701 4.120 -0.000 0.000 0.311 921 V C -1.201 174.698 176.094 -0.324 0.000 1.389 921 V CA -1.081 61.161 62.300 -0.096 0.000 1.034 921 V CB 1.069 32.958 31.823 0.109 0.000 1.105 921 V HN 0.415 nan 8.190 nan 0.000 0.477 922 F N 1.004 120.944 119.950 -0.017 0.000 2.426 922 F HA 0.690 5.217 4.527 0.000 0.000 0.348 922 F C -0.292 175.491 175.800 -0.028 0.000 1.124 922 F CA -0.142 57.834 58.000 -0.041 0.000 1.008 922 F CB 1.517 40.507 39.000 -0.016 0.000 1.139 922 F HN 0.583 nan 8.300 nan 0.000 0.452 923 D N 4.078 124.490 120.400 0.020 0.000 2.462 923 D HA 0.458 5.098 4.640 -0.000 0.000 0.249 923 D C -1.018 175.264 176.300 -0.029 0.000 1.117 923 D CA 0.021 54.005 54.000 -0.026 0.000 0.900 923 D CB 1.035 41.699 40.800 -0.226 0.000 1.039 923 D HN 0.152 nan 8.370 nan 0.000 0.516 924 V N 1.909 121.923 119.914 0.167 0.000 3.019 924 V HA 0.724 4.844 4.120 -0.000 0.000 0.317 924 V C -0.056 176.187 176.094 0.249 0.000 1.094 924 V CA -0.868 61.560 62.300 0.212 0.000 1.000 924 V CB 2.348 34.259 31.823 0.148 0.000 1.060 924 V HN 0.232 nan 8.190 nan 0.000 0.443 925 V N 1.798 121.818 119.914 0.176 0.000 2.851 925 V HA 0.542 4.662 4.120 -0.000 0.000 0.307 925 V C -0.579 175.502 176.094 -0.022 0.000 1.129 925 V CA -0.737 61.523 62.300 -0.066 0.000 0.932 925 V CB 2.075 33.709 31.823 -0.315 0.000 1.024 925 V HN 0.872 nan 8.190 nan 0.000 0.426 926 R N 2.577 123.041 120.500 -0.060 0.000 2.437 926 R HA 0.790 5.130 4.340 -0.000 0.000 0.310 926 R C -1.620 174.679 176.300 -0.003 0.000 0.955 926 R CA -0.382 55.699 56.100 -0.031 0.000 0.851 926 R CB 1.926 32.208 30.300 -0.030 0.000 1.161 926 R HN 0.581 nan 8.270 nan 0.000 0.446 927 V N 4.545 124.484 119.914 0.041 0.000 2.398 927 V HA 0.306 4.426 4.120 -0.000 0.000 0.286 927 V C -0.128 176.048 176.094 0.136 0.000 1.026 927 V CA -0.621 61.732 62.300 0.088 0.000 0.868 927 V CB 1.288 33.186 31.823 0.125 0.000 0.982 927 V HN 0.722 nan 8.190 nan 0.000 0.443 928 H N 5.494 124.577 119.070 0.022 0.000 2.489 928 H HA 0.559 5.115 4.556 -0.000 0.000 0.343 928 H C -0.553 174.793 175.328 0.030 0.000 1.086 928 H CA -0.933 55.124 56.048 0.016 0.000 1.198 928 H CB 1.381 31.151 29.762 0.014 0.000 1.490 928 H HN 0.535 nan 8.280 nan 0.000 0.504 929 R N 5.678 125.992 120.500 -0.311 0.000 2.681 929 R HA 0.148 4.488 4.340 -0.000 0.000 0.277 929 R C -2.038 174.022 176.300 -0.399 0.000 1.563 929 R CA -1.540 54.413 56.100 -0.244 0.000 1.673 929 R CB 1.232 31.496 30.300 -0.060 0.000 1.258 929 R HN 0.576 nan 8.270 nan 0.000 0.650 930 P HA -0.158 nan 4.420 nan 0.000 0.216 930 P C -0.323 176.513 177.300 -0.773 0.000 1.150 930 P CA 1.540 64.219 63.100 -0.702 0.000 0.843 930 P CB 0.411 31.771 31.700 -0.566 0.000 0.787 931 H N -3.375 115.647 119.070 -0.081 0.000 2.977 931 H HA 0.421 4.977 4.556 -0.000 0.000 0.350 931 H C -0.039 175.278 175.328 -0.019 0.000 1.238 931 H CA -1.065 54.963 56.048 -0.034 0.000 1.124 931 H CB 0.957 30.706 29.762 -0.023 0.000 1.866 931 H HN -0.194 nan 8.280 nan 0.000 0.550 932 R N 0.752 121.325 120.500 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 0.050 0.000 1.077 932 R CB -0.432 29.885 30.300 0.028 0.000 0.926 932 R HN 1.063 nan 8.270 nan 0.000 0.407 933 G N 2.473 111.225 108.800 -0.080 0.000 2.168 933 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.257 933 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.257 933 G C -0.342 174.509 174.900 -0.081 0.000 0.997 933 G CA 0.255 45.192 45.100 -0.271 0.000 0.708 933 G HN 0.511 nan 8.290 nan 0.000 0.520 934 V N 1.215 121.170 119.914 0.068 0.000 2.487 934 V HA 0.675 4.795 4.120 -0.000 0.000 0.298 934 V C 0.230 176.408 176.094 0.140 0.000 1.028 934 V CA -0.738 61.624 62.300 0.103 0.000 0.860 934 V CB 1.853 33.738 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 1.989 40.080 38.000 0.152 0.000 1.242 935 I HN 0.601 nan 8.210 nan 0.000 0.439 936 E N 4.564 124.839 120.200 0.125 0.000 2.199 936 E HA 0.575 4.925 4.350 -0.000 0.000 0.269 936 E C -0.740 175.948 176.600 0.146 0.000 0.899 936 E CA -0.786 55.704 56.400 0.149 0.000 0.772 936 E CB 2.605 32.415 29.700 0.183 0.000 1.155 936 E HN 0.628 nan 8.360 nan 0.000 0.408 937 T N -1.635 113.004 114.554 0.142 0.000 2.893 937 T HA 0.605 4.955 4.350 -0.000 0.000 0.291 937 T C -0.574 174.197 174.700 0.118 0.000 1.028 937 T CA -0.792 61.365 62.100 0.096 0.000 0.995 937 T CB 1.369 70.282 68.868 0.076 0.000 1.051 937 T HN 0.146 nan 8.240 nan 0.000 0.470 938 V N 2.762 122.698 119.914 0.037 0.000 2.443 938 V HA 0.417 4.537 4.120 -0.000 0.000 0.293 938 V C -1.346 174.781 176.094 0.056 0.000 1.021 938 V CA -0.904 61.451 62.300 0.092 0.000 0.848 938 V CB 0.766 32.623 31.823 0.056 0.000 0.998 938 V HN 0.921 nan 8.190 nan 0.000 0.424 939 Y N 4.995 125.368 120.300 0.123 0.000 2.342 939 Y HA 0.752 5.302 4.550 0.000 0.000 0.334 939 Y C -0.177 175.804 175.900 0.134 0.000 1.067 939 Y CA -0.685 57.511 58.100 0.159 0.000 1.128 939 Y CB 1.926 40.495 38.460 0.182 0.000 1.200 939 Y HN 0.531 nan 8.280 nan 0.000 0.464 940 L N 4.687 126.085 121.223 0.291 0.000 2.516 940 L HA 0.524 4.864 4.340 -0.000 0.000 0.267 940 L C -1.415 175.581 176.870 0.210 0.000 0.957 940 L CA -0.745 54.216 54.840 0.203 0.000 0.860 940 L CB 1.645 43.780 42.059 0.127 0.000 1.265 940 L HN 0.659 nan 8.230 nan 0.000 0.403 941 R N 3.374 123.988 120.500 0.190 0.000 2.435 941 R HA 0.734 5.074 4.340 -0.000 0.000 0.308 941 R C -1.498 174.903 176.300 0.168 0.000 0.975 941 R CA 0.005 56.215 56.100 0.184 0.000 0.867 941 R CB 1.264 31.672 30.300 0.180 0.000 1.171 941 R HN 0.827 nan 8.270 nan 0.000 0.470 942 T N 2.181 116.851 114.554 0.193 0.000 2.921 942 T HA 0.505 4.855 4.350 -0.000 0.000 0.297 942 T C -2.801 172.054 174.700 0.259 0.000 1.013 942 T CA -1.984 60.221 62.100 0.175 0.000 0.990 942 T CB 2.453 71.389 68.868 0.112 0.000 1.023 942 T HN 0.236 nan 8.240 nan 0.000 0.447 943 P HA 0.465 nan 4.420 nan 0.000 0.296 943 P C -0.164 177.268 177.300 0.220 0.000 1.295 943 P CA -0.399 62.766 63.100 0.109 0.000 0.754 943 P CB -0.051 31.633 31.700 -0.027 0.000 1.311 944 F N -3.332 116.495 119.950 -0.205 0.000 3.043 944 F HA -0.218 4.309 4.527 0.000 0.000 0.290 944 F C 0.570 176.325 175.800 -0.075 0.000 0.844 944 F CA 0.682 58.580 58.000 -0.170 0.000 1.184 944 F CB -2.636 36.288 39.000 -0.127 0.000 1.246 944 F HN 0.139 nan 8.300 nan 0.000 0.536 945 S N 0.525 116.244 115.700 0.033 0.000 3.332 945 S HA 0.166 4.636 4.470 -0.000 0.000 0.395 945 S C 1.392 176.036 174.600 0.073 0.000 1.180 945 S CA 0.239 58.470 58.200 0.051 0.000 0.985 945 S CB 0.772 63.973 63.200 0.003 0.000 0.694 945 S HN 1.014 nan 8.310 nan 0.000 0.502 946 A N 5.809 128.691 122.820 0.103 0.000 2.021 946 A HA 0.368 4.688 4.320 -0.000 0.000 0.206 946 A C 1.285 178.906 177.584 0.061 0.000 1.210 946 A CA 1.389 53.484 52.037 0.097 0.000 0.733 946 A CB -1.392 17.677 19.000 0.114 0.000 0.839 946 A HN 1.743 nan 8.150 nan 0.000 0.495 947 G N -2.286 106.545 108.800 0.052 0.000 3.022 947 G HA2 0.526 4.486 3.960 -0.000 0.000 0.284 947 G HA3 0.526 4.486 3.960 -0.000 0.000 0.284 947 G C -0.861 174.058 174.900 0.031 0.000 1.375 947 G CA -0.072 45.048 45.100 0.032 0.000 0.902 947 G HN 0.865 nan 8.290 nan 0.000 0.538 948 N N -1.073 117.640 118.700 0.022 0.000 2.966 948 N HA 0.711 5.451 4.740 -0.000 0.000 0.314 948 N C -0.326 175.197 175.510 0.021 0.000 1.397 948 N CA -0.410 52.653 53.050 0.021 0.000 0.776 948 N CB 1.832 40.326 38.487 0.012 0.000 1.576 948 N HN 0.782 nan 8.380 nan 0.000 0.592 949 A N 0.000 122.832 122.820 0.021 0.000 2.254 949 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 949 A CA 0.000 52.048 52.037 0.019 0.000 0.836 949 A CB 0.000 19.008 19.000 0.013 0.000 0.831 949 A HN 0.000 nan 8.150 nan 0.000 0.486