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 1lxm_1_A DATA FIRST_RESID 173 DATA SEQUENCE HPQPVTTQIE KSVNTALNKN YVFNKADYQY TLTNPSLGKI VGGILYPNAT DATA SEQUENCE GSTTVKISDK SGKIIKEVPL SVTASTEDNF TKLLDKWNDV TIGNYVYDTN DATA SEQUENCE DSNMQKLNQK LDETNAKNIE AIKLDSNRTF LWKDLDNLNN SAQLTATYRR DATA SEQUENCE LEDLAKQITN PHSTIYKNEK AIRTVKESLA WLHQNFYNVN KDIEGSANWW DATA SEQUENCE DFEIGVPRSI TGTLSLMNNY FTDAEIKTYT DPIEHFVPDA EYFRKTLVNP DATA SEQUENCE FKALGGNLVD MGRVKIIEGL LRKDNTIIEK TSHSLKNLFT TATKAEGFYA DATA SEQUENCE DGSYIDHTNV AYTGAYGNVL IDGLTQLLPI IQETDYKISN QELDMVYKWI DATA SEQUENCE NQSFLPLIVK GELMDMSRGR SISREAASSH AAAVEVLRGF LRLANMSNEE DATA SEQUENCE RNLDLKSTIK TIITSNKFYN VFNNLKSYSD IANMNKLLND STVATKPLKS DATA SEQUENCE NLSTFNSMDR LAYYNAKKDF GFALSLHSKR TLNYEGMNDE NTRGWYTGDG DATA SEQUENCE MFYIYNSDQS HYSNHFWPTV NPYKMAGTTE KDAKREDTTK EXXXXXXXXA DATA SEQUENCE KEKTGQVTGT SDFVGSVKLN DHFALAAMDF TNWDRTLTAQ KGWVILNDKI DATA SEQUENCE VFLGSNIKNT NGIGNVSTTI DQRKDDSKTP YTTYVNGKTI XXXXXXSQQF DATA SEQUENCE TDTKSVFLES KEPGRNIGYI FFKNSTIDIE RKEQTGTWNS INRTSKNTSI DATA SEQUENCE VSNPFITISQ KHDXXXXSYG YMMVPNIDRT SFDKLANSKE VELLENSSKQ DATA SEQUENCE QVIYDKNSQT WAVIKHDNQE SLINNQFKMN KAGLYLVQKV GNDYQNVYYQ DATA SEQUENCE PQTMTKTDQL AI 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 173 H HA 0.000 nan 4.556 nan 0.000 0.296 173 H C 0.000 175.282 175.328 -0.077 0.000 0.993 173 H CA 0.000 56.026 56.048 -0.037 0.000 1.023 173 H CB 0.000 29.720 29.762 -0.069 0.000 1.292 174 P HA 0.049 nan 4.420 nan 0.000 0.264 174 P C -0.698 176.632 177.300 0.051 0.000 1.179 174 P CA 0.783 63.852 63.100 -0.051 0.000 0.763 174 P CB 0.711 32.476 31.700 0.108 0.000 0.806 175 Q N 2.627 122.434 119.800 0.012 0.000 2.389 175 Q HA 0.418 4.763 4.340 0.009 0.000 0.277 175 Q C -2.464 173.652 176.000 0.192 0.000 1.082 175 Q CA -2.056 53.801 55.803 0.089 0.000 0.810 175 Q CB 2.302 31.054 28.738 0.025 0.000 1.374 175 Q HN 0.307 nan 8.270 nan 0.000 0.422 176 P HA -0.016 nan 4.420 nan 0.000 0.271 176 P C -0.827 176.600 177.300 0.212 0.000 1.238 176 P CA -0.104 63.157 63.100 0.267 0.000 0.794 176 P CB 0.546 32.327 31.700 0.135 0.000 0.959 177 V N 1.098 121.156 119.914 0.239 0.000 2.293 177 V HA 0.211 4.336 4.120 0.009 0.000 0.275 177 V C 0.862 177.036 176.094 0.133 0.000 1.021 177 V CA -0.400 62.009 62.300 0.182 0.000 0.815 177 V CB 0.366 32.331 31.823 0.236 0.000 1.025 177 V HN 0.693 nan 8.190 nan 0.000 0.448 178 T N 1.622 116.238 114.554 0.102 0.000 2.913 178 T HA 0.754 5.110 4.350 0.009 0.000 0.287 178 T C 0.094 174.846 174.700 0.086 0.000 1.008 178 T CA -0.267 61.883 62.100 0.084 0.000 1.067 178 T CB 1.758 70.666 68.868 0.067 0.000 0.996 178 T HN 0.777 nan 8.240 nan 0.000 0.513 179 T N -0.256 114.348 114.554 0.084 0.000 2.843 179 T HA 0.677 5.032 4.350 0.009 0.000 0.302 179 T C -1.298 173.454 174.700 0.088 0.000 1.232 179 T CA -1.090 61.063 62.100 0.088 0.000 1.009 179 T CB 2.134 71.060 68.868 0.096 0.000 1.254 179 T HN 0.872 nan 8.240 nan 0.000 0.504 180 Q N 0.600 120.455 119.800 0.091 0.000 2.587 180 Q HA 0.602 4.948 4.340 0.009 0.000 0.293 180 Q C -0.914 175.149 176.000 0.105 0.000 1.083 180 Q CA -1.115 54.741 55.803 0.088 0.000 0.792 180 Q CB 1.439 30.217 28.738 0.066 0.000 1.484 180 Q HN 0.652 nan 8.270 nan 0.000 0.446 181 I N 1.746 122.369 120.570 0.087 0.000 2.710 181 I HA -0.074 4.101 4.170 0.009 0.000 0.286 181 I C 0.325 176.502 176.117 0.099 0.000 1.181 181 I CA 0.478 61.830 61.300 0.087 0.000 1.430 181 I CB 0.091 38.085 38.000 -0.010 0.000 1.367 181 I HN 0.439 nan 8.210 nan 0.000 0.577 182 E N 4.961 125.252 120.200 0.153 0.000 2.415 182 E HA 0.037 4.392 4.350 0.009 0.000 0.262 182 E C 0.540 177.189 176.600 0.081 0.000 1.038 182 E CA 0.167 56.647 56.400 0.133 0.000 0.921 182 E CB 0.405 30.217 29.700 0.186 0.000 0.950 182 E HN 0.362 nan 8.360 nan 0.000 0.438 183 K N 0.442 120.875 120.400 0.055 0.000 2.356 183 K HA 0.086 4.412 4.320 0.009 0.000 0.195 183 K C 0.089 176.703 176.600 0.024 0.000 1.037 183 K CA 0.336 56.642 56.287 0.031 0.000 1.014 183 K CB 0.428 32.942 32.500 0.023 0.000 0.815 183 K HN 0.438 nan 8.250 nan 0.000 0.507 184 S N -0.930 114.784 115.700 0.023 0.000 2.578 184 S HA 0.333 4.808 4.470 0.009 0.000 0.272 184 S C -1.722 172.853 174.600 -0.041 0.000 1.145 184 S CA -0.978 57.221 58.200 -0.002 0.000 0.835 184 S CB 1.621 64.813 63.200 -0.014 0.000 1.104 184 S HN -0.194 nan 8.310 nan 0.000 0.458 185 V N 3.381 123.240 119.914 -0.092 0.000 2.483 185 V HA 0.606 4.732 4.120 0.009 0.000 0.297 185 V C -1.109 174.833 176.094 -0.255 0.000 1.027 185 V CA -0.739 61.406 62.300 -0.259 0.000 0.855 185 V CB 1.680 33.316 31.823 -0.312 0.000 0.995 185 V HN 0.853 nan 8.190 nan 0.000 0.424 186 N N 2.271 120.801 118.700 -0.284 0.000 2.442 186 N HA 0.581 5.327 4.740 0.009 0.000 0.274 186 N C -0.663 174.703 175.510 -0.239 0.000 1.002 186 N CA -0.150 52.784 53.050 -0.193 0.000 0.910 186 N CB 2.101 40.520 38.487 -0.113 0.000 1.244 186 N HN 0.668 nan 8.380 nan 0.000 0.492 187 T N 0.258 114.691 114.554 -0.202 0.000 2.916 187 T HA 0.700 5.056 4.350 0.009 0.000 0.298 187 T C -0.694 173.962 174.700 -0.074 0.000 1.031 187 T CA -0.560 61.448 62.100 -0.153 0.000 0.993 187 T CB 1.000 69.742 68.868 -0.210 0.000 1.045 187 T HN 0.471 nan 8.240 nan 0.000 0.454 188 A N 3.726 126.524 122.820 -0.038 0.000 2.445 188 A HA 0.404 4.730 4.320 0.009 0.000 0.242 188 A C 1.485 179.059 177.584 -0.018 0.000 1.075 188 A CA -0.381 51.644 52.037 -0.020 0.000 0.777 188 A CB 0.002 18.999 19.000 -0.005 0.000 1.013 188 A HN 0.952 nan 8.150 nan 0.000 0.493 189 L N 2.091 123.309 121.223 -0.008 0.000 2.081 189 L HA -0.228 4.118 4.340 0.009 0.000 0.212 189 L C 1.898 178.770 176.870 0.004 0.000 1.080 189 L CA 2.822 57.663 54.840 0.001 0.000 0.754 189 L CB -0.853 41.211 42.059 0.009 0.000 0.893 189 L HN 0.958 nan 8.230 nan 0.000 0.433 190 N N -2.055 116.646 118.700 0.002 0.000 2.398 190 N HA -0.018 4.727 4.740 0.009 0.000 0.188 190 N C -0.079 175.415 175.510 -0.028 0.000 1.122 190 N CA 0.087 53.137 53.050 0.001 0.000 0.866 190 N CB -0.010 38.485 38.487 0.012 0.000 0.970 190 N HN 0.197 nan 8.380 nan 0.000 0.462 191 K N 0.986 121.364 120.400 -0.037 0.000 2.159 191 K HA 0.227 4.553 4.320 0.009 0.000 0.266 191 K C -0.906 175.623 176.600 -0.117 0.000 0.975 191 K CA -0.752 55.494 56.287 -0.069 0.000 0.865 191 K CB 1.051 33.540 32.500 -0.019 0.000 1.087 191 K HN 0.128 nan 8.250 nan 0.000 0.446 192 N N 2.601 121.161 118.700 -0.233 0.000 2.414 192 N HA 0.036 4.781 4.740 0.009 0.000 0.256 192 N C -0.847 174.508 175.510 -0.258 0.000 1.029 192 N CA -0.223 52.611 53.050 -0.361 0.000 0.948 192 N CB 0.369 38.484 38.487 -0.620 0.000 1.102 192 N HN 0.463 nan 8.380 nan 0.000 0.496 193 Y N 2.337 122.404 120.300 -0.389 0.000 2.393 193 Y HA 0.144 4.700 4.550 0.009 0.000 0.338 193 Y C -0.180 175.389 175.900 -0.553 0.000 1.029 193 Y CA -0.444 57.381 58.100 -0.458 0.000 1.239 193 Y CB 0.598 38.712 38.460 -0.576 0.000 1.170 193 Y HN 0.199 nan 8.280 nan 0.000 0.515 194 V N 8.575 127.850 119.914 -1.066 0.000 2.348 194 V HA 0.148 4.274 4.120 0.009 0.000 0.270 194 V C -0.251 175.226 176.094 -1.027 0.000 1.037 194 V CA -0.811 61.029 62.300 -0.767 0.000 0.872 194 V CB -0.464 31.070 31.823 -0.481 0.000 1.002 194 V HN 0.541 nan 8.190 nan 0.000 0.464 195 F N 3.648 123.240 119.950 -0.596 0.000 2.563 195 F HA 0.149 4.682 4.527 0.010 0.000 0.363 195 F C 1.788 177.492 175.800 -0.161 0.000 1.123 195 F CA 0.106 57.905 58.000 -0.336 0.000 1.307 195 F CB 0.260 38.979 39.000 -0.469 0.000 1.115 195 F HN 0.434 nan 8.300 nan 0.000 0.592 196 N N 1.326 120.126 118.700 0.167 0.000 2.060 196 N HA -0.178 4.567 4.740 0.009 0.000 0.195 196 N C 0.124 175.745 175.510 0.185 0.000 1.028 196 N CA 1.458 54.593 53.050 0.143 0.000 0.861 196 N CB -0.147 38.446 38.487 0.177 0.000 1.029 196 N HN 0.366 nan 8.380 nan 0.000 0.428 197 K N 0.663 121.252 120.400 0.315 0.000 2.235 197 K HA 0.579 4.904 4.320 0.009 0.000 0.266 197 K C -0.198 176.645 176.600 0.405 0.000 0.980 197 K CA -0.566 55.934 56.287 0.355 0.000 0.849 197 K CB 1.994 34.803 32.500 0.515 0.000 1.098 197 K HN 0.007 nan 8.250 nan 0.000 0.445 198 A N 1.657 124.597 122.820 0.201 0.000 2.250 198 A HA 0.377 4.702 4.320 0.009 0.000 0.283 198 A C -0.010 177.582 177.584 0.014 0.000 1.206 198 A CA 0.054 52.174 52.037 0.140 0.000 0.840 198 A CB -0.004 19.021 19.000 0.042 0.000 1.220 198 A HN 0.881 nan 8.150 nan 0.000 0.505 199 D N -3.363 117.024 120.400 -0.021 0.000 2.978 199 D HA -0.168 4.478 4.640 0.009 0.000 0.205 199 D C -0.590 175.557 176.300 -0.256 0.000 1.093 199 D CA 1.878 55.783 54.000 -0.157 0.000 1.006 199 D CB -1.586 39.060 40.800 -0.256 0.000 1.116 199 D HN 0.454 nan 8.370 nan 0.000 0.419 200 Y N 0.270 120.551 120.300 -0.032 0.000 2.403 200 Y HA 0.468 5.023 4.550 0.009 0.000 0.323 200 Y C 1.057 176.781 175.900 -0.293 0.000 1.226 200 Y CA -0.647 57.306 58.100 -0.246 0.000 1.235 200 Y CB 0.815 38.967 38.460 -0.513 0.000 1.248 200 Y HN -0.225 nan 8.280 nan 0.000 0.489 201 Q N 1.166 120.871 119.800 -0.157 0.000 2.278 201 Q HA 0.397 4.743 4.340 0.009 0.000 0.257 201 Q C -2.068 173.725 176.000 -0.345 0.000 0.928 201 Q CA -0.351 55.376 55.803 -0.128 0.000 0.932 201 Q CB 0.583 29.283 28.738 -0.063 0.000 1.221 201 Q HN 0.593 nan 8.270 nan 0.000 0.434 202 Y N 1.371 121.613 120.300 -0.097 0.000 2.393 202 Y HA 0.594 5.150 4.550 0.010 0.000 0.341 202 Y C -0.173 175.670 175.900 -0.094 0.000 0.988 202 Y CA -0.612 57.368 58.100 -0.200 0.000 1.078 202 Y CB 2.438 40.622 38.460 -0.461 0.000 1.203 202 Y HN 0.636 nan 8.280 nan 0.000 0.453 203 T N 0.682 115.275 114.554 0.064 0.000 2.993 203 T HA 0.585 4.941 4.350 0.009 0.000 0.312 203 T C -1.498 173.242 174.700 0.066 0.000 1.115 203 T CA -0.828 61.311 62.100 0.065 0.000 1.027 203 T CB 1.175 70.061 68.868 0.030 0.000 1.116 203 T HN 0.289 nan 8.240 nan 0.000 0.464 204 L N 3.382 124.653 121.223 0.080 0.000 2.292 204 L HA 0.458 4.804 4.340 0.009 0.000 0.284 204 L C 1.962 178.861 176.870 0.049 0.000 1.065 204 L CA 0.093 54.977 54.840 0.074 0.000 0.806 204 L CB 1.449 43.561 42.059 0.088 0.000 1.175 204 L HN 1.076 nan 8.230 nan 0.000 0.431 205 T N -0.896 113.681 114.554 0.038 0.000 3.155 205 T HA -0.052 4.303 4.350 0.009 0.000 0.264 205 T C 0.690 175.406 174.700 0.027 0.000 1.160 205 T CA 0.567 62.683 62.100 0.027 0.000 1.075 205 T CB -0.506 68.373 68.868 0.019 0.000 0.921 205 T HN 0.541 nan 8.240 nan 0.000 0.533 206 N N 0.971 119.691 118.700 0.034 0.000 2.640 206 N HA 0.269 5.014 4.740 0.009 0.000 0.262 206 N C -2.655 172.880 175.510 0.042 0.000 1.174 206 N CA -1.746 51.323 53.050 0.032 0.000 0.791 206 N CB 1.771 40.275 38.487 0.028 0.000 1.279 206 N HN -0.099 nan 8.380 nan 0.000 0.535 207 P HA -0.152 nan 4.420 nan 0.000 0.222 207 P C 1.116 178.445 177.300 0.048 0.000 1.142 207 P CA 1.111 64.240 63.100 0.049 0.000 0.788 207 P CB 0.290 32.015 31.700 0.041 0.000 0.767 208 S N 0.017 115.741 115.700 0.040 0.000 2.338 208 S HA -0.123 4.352 4.470 0.009 0.000 0.218 208 S C 1.926 176.552 174.600 0.042 0.000 1.032 208 S CA 0.901 59.124 58.200 0.037 0.000 0.999 208 S CB -1.685 61.532 63.200 0.029 0.000 0.905 208 S HN 0.083 nan 8.310 nan 0.000 0.439 209 L N 1.649 122.897 121.223 0.041 0.000 2.302 209 L HA -0.064 4.282 4.340 0.009 0.000 0.218 209 L C 1.352 178.254 176.870 0.054 0.000 1.100 209 L CA 1.083 55.948 54.840 0.041 0.000 0.774 209 L CB -1.105 40.976 42.059 0.037 0.000 0.896 209 L HN 0.676 nan 8.230 nan 0.000 0.439 210 G N -1.079 107.763 108.800 0.070 0.000 2.328 210 G HA2 0.183 4.149 3.960 0.009 0.000 0.295 210 G HA3 0.183 4.149 3.960 0.009 0.000 0.295 210 G C -1.781 173.189 174.900 0.117 0.000 1.413 210 G CA -0.723 44.434 45.100 0.095 0.000 0.817 210 G HN -0.114 nan 8.290 nan 0.000 0.546 211 K N 0.820 121.314 120.400 0.156 0.000 2.339 211 K HA 0.577 4.903 4.320 0.009 0.000 0.264 211 K C -0.511 176.239 176.600 0.251 0.000 0.986 211 K CA -0.713 55.673 56.287 0.165 0.000 0.866 211 K CB 0.802 33.372 32.500 0.118 0.000 1.103 211 K HN 0.401 nan 8.250 nan 0.000 0.441 212 I N 4.771 125.472 120.570 0.218 0.000 2.342 212 I HA 0.155 4.331 4.170 0.009 0.000 0.291 212 I C -0.491 175.765 176.117 0.232 0.000 1.010 212 I CA -0.914 60.541 61.300 0.258 0.000 1.308 212 I CB 1.696 39.838 38.000 0.238 0.000 1.400 212 I HN 0.318 nan 8.210 nan 0.000 0.488 213 V N 6.508 126.590 119.914 0.281 0.000 2.380 213 V HA 0.547 4.672 4.120 0.009 0.000 0.286 213 V C 0.738 176.951 176.094 0.198 0.000 1.015 213 V CA 0.101 62.528 62.300 0.211 0.000 0.834 213 V CB 0.574 32.524 31.823 0.211 0.000 1.009 213 V HN 1.157 nan 8.190 nan 0.000 0.428 214 G N 5.081 113.978 108.800 0.161 0.000 2.574 214 G HA2 -0.206 3.760 3.960 0.009 0.000 0.301 214 G HA3 -0.206 3.760 3.960 0.009 0.000 0.301 214 G C 0.900 175.933 174.900 0.221 0.000 1.166 214 G CA 0.404 45.599 45.100 0.158 0.000 0.971 214 G HN 1.521 nan 8.290 nan 0.000 0.542 215 G N -0.010 108.900 108.800 0.183 0.000 3.502 215 G HA2 0.570 4.535 3.960 0.009 0.000 0.267 215 G HA3 0.570 4.535 3.960 0.009 0.000 0.267 215 G C 0.246 175.243 174.900 0.161 0.000 1.090 215 G CA 0.365 45.568 45.100 0.171 0.000 0.795 215 G HN 0.735 nan 8.290 nan 0.000 0.535 216 I N 0.547 121.195 120.570 0.130 0.000 2.569 216 I HA 0.453 4.628 4.170 0.009 0.000 0.296 216 I C -1.070 175.057 176.117 0.016 0.000 1.028 216 I CA -1.186 60.092 61.300 -0.037 0.000 1.082 216 I CB 2.533 40.455 38.000 -0.131 0.000 1.264 216 I HN -0.082 nan 8.210 nan 0.000 0.429 217 L N 6.033 127.163 121.223 -0.155 0.000 2.313 217 L HA 0.483 4.828 4.340 0.009 0.000 0.283 217 L C -1.660 175.065 176.870 -0.242 0.000 1.013 217 L CA -0.009 54.818 54.840 -0.022 0.000 0.816 217 L CB 0.917 43.007 42.059 0.050 0.000 1.236 217 L HN 0.351 nan 8.230 nan 0.000 0.419 218 Y N 5.914 126.245 120.300 0.052 0.000 2.593 218 Y HA 0.471 5.026 4.550 0.009 0.000 0.331 218 Y C -2.038 173.875 175.900 0.022 0.000 0.986 218 Y CA -2.340 55.773 58.100 0.022 0.000 1.262 218 Y CB 0.433 38.906 38.460 0.022 0.000 1.098 218 Y HN 0.565 nan 8.280 nan 0.000 0.506 219 P HA -0.074 nan 4.420 nan 0.000 0.265 219 P C 0.336 177.683 177.300 0.079 0.000 1.187 219 P CA 0.405 63.542 63.100 0.062 0.000 0.766 219 P CB 0.943 32.655 31.700 0.019 0.000 0.820 220 N N 0.761 119.500 118.700 0.064 0.000 2.486 220 N HA 0.107 4.853 4.740 0.009 0.000 0.242 220 N C -0.280 175.254 175.510 0.040 0.000 1.083 220 N CA 0.186 53.270 53.050 0.056 0.000 0.844 220 N CB 0.740 39.263 38.487 0.059 0.000 1.527 220 N HN 0.413 nan 8.380 nan 0.000 0.462 221 A N 0.084 122.925 122.820 0.035 0.000 2.386 221 A HA 0.613 4.938 4.320 0.009 0.000 0.308 221 A C -0.501 177.095 177.584 0.019 0.000 1.128 221 A CA -0.331 51.721 52.037 0.026 0.000 0.789 221 A CB 1.483 20.498 19.000 0.025 0.000 1.325 221 A HN 0.041 nan 8.150 nan 0.000 0.437 222 T N -0.815 113.747 114.554 0.014 0.000 2.943 222 T HA 0.725 5.081 4.350 0.009 0.000 0.284 222 T C 0.256 174.959 174.700 0.006 0.000 1.015 222 T CA 0.889 62.993 62.100 0.007 0.000 1.042 222 T CB 1.036 69.908 68.868 0.006 0.000 1.055 222 T HN 2.387 nan 8.240 nan 0.000 0.500 223 G N 1.358 110.158 108.800 0.000 0.000 2.347 223 G HA2 0.242 4.208 3.960 0.009 0.000 0.341 223 G HA3 0.242 4.208 3.960 0.009 0.000 0.341 223 G C -1.195 173.704 174.900 -0.003 0.000 1.287 223 G CA -0.575 44.525 45.100 0.000 0.000 0.984 223 G HN 0.811 nan 8.290 nan 0.000 0.526 224 S N -0.690 115.009 115.700 -0.001 0.000 2.501 224 S HA 0.915 5.391 4.470 0.009 0.000 0.301 224 S C 0.131 174.734 174.600 0.005 0.000 1.096 224 S CA 0.226 58.425 58.200 -0.002 0.000 1.063 224 S CB 1.944 65.141 63.200 -0.005 0.000 1.042 224 S HN 1.147 nan 8.310 nan 0.000 0.494 225 T N 0.671 115.230 114.554 0.009 0.000 2.612 225 T HA 0.737 5.093 4.350 0.009 0.000 0.296 225 T C -1.557 173.155 174.700 0.020 0.000 1.148 225 T CA -0.362 61.749 62.100 0.017 0.000 1.077 225 T CB 1.159 70.044 68.868 0.028 0.000 1.591 225 T HN 0.778 nan 8.240 nan 0.000 0.479 226 T N -0.937 113.633 114.554 0.028 0.000 2.912 226 T HA 0.705 5.060 4.350 0.009 0.000 0.299 226 T C -1.220 173.507 174.700 0.045 0.000 1.052 226 T CA -0.702 61.416 62.100 0.030 0.000 0.996 226 T CB 1.412 70.290 68.868 0.017 0.000 1.070 226 T HN 0.589 nan 8.240 nan 0.000 0.465 227 V N 2.967 122.915 119.914 0.058 0.000 2.370 227 V HA 0.541 4.667 4.120 0.009 0.000 0.283 227 V C -0.602 175.505 176.094 0.021 0.000 1.023 227 V CA -0.745 61.598 62.300 0.071 0.000 0.857 227 V CB 0.917 32.828 31.823 0.146 0.000 0.985 227 V HN 0.931 nan 8.190 nan 0.000 0.443 228 K N 7.193 127.589 120.400 -0.008 0.000 2.262 228 K HA 0.527 4.853 4.320 0.009 0.000 0.282 228 K C -0.857 175.663 176.600 -0.133 0.000 1.066 228 K CA -0.181 56.073 56.287 -0.056 0.000 0.901 228 K CB 1.460 33.933 32.500 -0.044 0.000 1.089 228 K HN 0.594 nan 8.250 nan 0.000 0.476 229 I N 2.681 123.126 120.570 -0.209 0.000 2.331 229 I HA 0.101 4.277 4.170 0.009 0.000 0.292 229 I C 0.208 176.123 176.117 -0.335 0.000 0.998 229 I CA 0.145 61.187 61.300 -0.430 0.000 1.267 229 I CB 1.315 39.002 38.000 -0.522 0.000 1.386 229 I HN 0.667 nan 8.210 nan 0.000 0.476 230 S N 3.123 118.645 115.700 -0.295 0.000 2.661 230 S HA 0.732 5.208 4.470 0.009 0.000 0.285 230 S C -1.104 173.479 174.600 -0.027 0.000 1.138 230 S CA -1.062 57.055 58.200 -0.139 0.000 0.855 230 S CB 1.950 65.092 63.200 -0.096 0.000 1.136 230 S HN 0.511 nan 8.310 nan 0.000 0.484 231 D N -0.035 120.378 120.400 0.021 0.000 2.529 231 D HA 0.312 4.957 4.640 0.009 0.000 0.273 231 D C 1.120 177.419 176.300 -0.002 0.000 1.197 231 D CA -0.966 53.064 54.000 0.051 0.000 1.070 231 D CB 0.455 41.288 40.800 0.055 0.000 1.134 231 D HN 0.683 nan 8.370 nan 0.000 0.590 232 K N -0.443 119.947 120.400 -0.017 0.000 2.217 232 K HA -0.144 4.182 4.320 0.009 0.000 0.202 232 K C 1.562 178.152 176.600 -0.017 0.000 1.051 232 K CA 1.411 57.684 56.287 -0.023 0.000 0.952 232 K CB -0.218 32.262 32.500 -0.033 0.000 0.736 232 K HN 0.328 nan 8.250 nan 0.000 0.453 233 S N -0.228 115.464 115.700 -0.013 0.000 2.428 233 S HA 0.054 4.529 4.470 0.009 0.000 0.230 233 S C 1.593 176.186 174.600 -0.012 0.000 1.014 233 S CA 1.175 59.368 58.200 -0.012 0.000 0.957 233 S CB -0.332 62.863 63.200 -0.009 0.000 0.784 233 S HN 0.701 nan 8.310 nan 0.000 0.499 234 G N 0.660 109.452 108.800 -0.013 0.000 2.253 234 G HA2 -0.223 3.743 3.960 0.009 0.000 0.209 234 G HA3 -0.223 3.743 3.960 0.009 0.000 0.209 234 G C 0.034 174.921 174.900 -0.020 0.000 0.997 234 G CA 0.047 45.137 45.100 -0.017 0.000 0.640 234 G HN 0.760 nan 8.290 nan 0.000 0.496 235 K N 1.098 121.488 120.400 -0.017 0.000 2.448 235 K HA 0.419 4.745 4.320 0.009 0.000 0.278 235 K C 0.393 176.972 176.600 -0.036 0.000 1.009 235 K CA -0.289 55.985 56.287 -0.021 0.000 0.995 235 K CB 0.102 32.593 32.500 -0.014 0.000 0.917 235 K HN 0.220 nan 8.250 nan 0.000 0.481 236 I N 6.853 127.397 120.570 -0.043 0.000 2.347 236 I HA -0.036 4.139 4.170 0.009 0.000 0.294 236 I C 1.051 177.125 176.117 -0.072 0.000 1.090 236 I CA -0.070 61.192 61.300 -0.064 0.000 1.314 236 I CB 0.493 38.461 38.000 -0.053 0.000 1.423 236 I HN 0.739 nan 8.210 nan 0.000 0.503 237 I N 5.703 126.209 120.570 -0.107 0.000 2.202 237 I HA -0.134 4.042 4.170 0.009 0.000 0.242 237 I C 1.196 177.242 176.117 -0.119 0.000 1.091 237 I CA 1.545 62.773 61.300 -0.119 0.000 1.368 237 I CB -0.171 37.703 38.000 -0.211 0.000 1.058 237 I HN 0.535 nan 8.210 nan 0.000 0.410 238 K N -0.606 119.710 120.400 -0.141 0.000 2.507 238 K HA 0.403 4.728 4.320 0.009 0.000 0.284 238 K C -1.241 175.309 176.600 -0.084 0.000 1.038 238 K CA -0.648 55.578 56.287 -0.103 0.000 0.903 238 K CB 1.810 34.243 32.500 -0.112 0.000 1.531 238 K HN -0.191 nan 8.250 nan 0.000 0.430 239 E N 1.485 121.655 120.200 -0.050 0.000 2.361 239 E HA 0.241 4.597 4.350 0.009 0.000 0.270 239 E C -1.703 174.892 176.600 -0.009 0.000 0.911 239 E CA -0.480 55.902 56.400 -0.029 0.000 0.818 239 E CB 2.293 31.979 29.700 -0.023 0.000 1.332 239 E HN 0.201 nan 8.360 nan 0.000 0.402 240 V N 4.362 124.282 119.914 0.010 0.000 2.630 240 V HA 0.398 4.524 4.120 0.009 0.000 0.305 240 V C -2.310 173.800 176.094 0.027 0.000 1.046 240 V CA -2.219 60.097 62.300 0.026 0.000 0.934 240 V CB 2.068 33.927 31.823 0.061 0.000 1.003 240 V HN 0.493 nan 8.190 nan 0.000 0.451 241 P HA 0.389 nan 4.420 nan 0.000 0.281 241 P C -1.130 176.171 177.300 0.001 0.000 1.252 241 P CA -0.090 63.013 63.100 0.006 0.000 0.778 241 P CB 0.728 32.427 31.700 -0.003 0.000 0.895 242 L N 2.654 123.879 121.223 0.003 0.000 2.422 242 L HA 0.741 5.087 4.340 0.009 0.000 0.264 242 L C -1.030 175.826 176.870 -0.024 0.000 0.984 242 L CA -0.241 54.590 54.840 -0.015 0.000 0.819 242 L CB 1.897 43.977 42.059 0.034 0.000 1.330 242 L HN 0.511 nan 8.230 nan 0.000 0.410 243 S N 2.958 118.624 115.700 -0.057 0.000 2.566 243 S HA 0.582 5.058 4.470 0.009 0.000 0.273 243 S C -1.098 173.466 174.600 -0.060 0.000 1.157 243 S CA -0.781 57.393 58.200 -0.043 0.000 0.938 243 S CB 1.568 64.748 63.200 -0.033 0.000 1.087 243 S HN 0.377 nan 8.310 nan 0.000 0.474 244 V N 3.629 123.521 119.914 -0.037 0.000 2.488 244 V HA 0.603 4.729 4.120 0.009 0.000 0.277 244 V C 1.144 177.222 176.094 -0.027 0.000 1.046 244 V CA 0.383 62.662 62.300 -0.036 0.000 0.986 244 V CB 0.847 32.662 31.823 -0.014 0.000 0.989 244 V HN 1.141 nan 8.190 nan 0.000 0.475 245 T N 2.881 117.416 114.554 -0.031 0.000 2.844 245 T HA 0.770 5.126 4.350 0.009 0.000 0.274 245 T C 0.322 175.016 174.700 -0.010 0.000 0.991 245 T CA -0.203 61.884 62.100 -0.020 0.000 0.983 245 T CB 1.525 70.377 68.868 -0.026 0.000 1.310 245 T HN 1.070 nan 8.240 nan 0.000 0.596 246 A N 1.569 124.387 122.820 -0.005 0.000 2.587 246 A HA 0.411 4.736 4.320 0.009 0.000 0.235 246 A C 0.809 178.396 177.584 0.006 0.000 1.044 246 A CA 0.289 52.328 52.037 0.003 0.000 0.754 246 A CB -0.874 18.129 19.000 0.006 0.000 0.968 246 A HN 1.194 nan 8.150 nan 0.000 0.509 247 S N 1.302 117.008 115.700 0.012 0.000 2.564 247 S HA 0.278 4.754 4.470 0.009 0.000 0.278 247 S C 1.301 175.916 174.600 0.025 0.000 1.333 247 S CA 0.229 58.439 58.200 0.016 0.000 1.048 247 S CB 0.413 63.625 63.200 0.019 0.000 0.900 247 S HN 1.427 nan 8.310 nan 0.000 0.505 248 T N 1.030 115.601 114.554 0.029 0.000 3.188 248 T HA 0.248 4.604 4.350 0.009 0.000 0.250 248 T C 0.367 175.105 174.700 0.063 0.000 1.077 248 T CA -0.281 61.844 62.100 0.043 0.000 0.967 248 T CB -0.355 68.535 68.868 0.036 0.000 1.006 248 T HN 0.737 nan 8.240 nan 0.000 0.552 249 E N 2.220 122.452 120.200 0.053 0.000 2.417 249 E HA 0.278 4.634 4.350 0.009 0.000 0.261 249 E C -0.293 176.348 176.600 0.068 0.000 1.000 249 E CA 0.182 56.617 56.400 0.059 0.000 0.919 249 E CB 0.367 30.092 29.700 0.042 0.000 0.955 249 E HN 0.762 nan 8.360 nan 0.000 0.455 250 D N 2.169 122.620 120.400 0.085 0.000 3.103 250 D HA 0.082 4.728 4.640 0.009 0.000 0.337 250 D C 0.266 176.573 176.300 0.012 0.000 1.356 250 D CA -0.600 53.439 54.000 0.065 0.000 0.951 250 D CB -0.148 40.732 40.800 0.133 0.000 1.438 250 D HN 0.179 nan 8.370 nan 0.000 0.562 251 N N -0.827 117.807 118.700 -0.110 0.000 2.244 251 N HA -0.005 4.740 4.740 0.009 0.000 0.183 251 N C 1.503 176.897 175.510 -0.194 0.000 1.016 251 N CA 0.806 53.733 53.050 -0.206 0.000 0.866 251 N CB -0.348 37.931 38.487 -0.347 0.000 0.980 251 N HN 0.277 nan 8.380 nan 0.000 0.430 252 F N 1.475 121.438 119.950 0.022 0.000 2.075 252 F HA -0.149 4.383 4.527 0.010 0.000 0.297 252 F C 2.739 178.554 175.800 0.025 0.000 1.113 252 F CA 1.512 59.525 58.000 0.021 0.000 1.218 252 F CB -1.389 37.620 39.000 0.015 0.000 0.984 252 F HN 0.088 nan 8.300 nan 0.000 0.472 253 T N -1.651 113.036 114.554 0.222 0.000 2.833 253 T HA -0.154 4.202 4.350 0.009 0.000 0.269 253 T C 1.867 176.626 174.700 0.097 0.000 1.054 253 T CA 0.987 63.170 62.100 0.139 0.000 1.135 253 T CB -0.319 68.616 68.868 0.111 0.000 0.869 253 T HN 0.115 nan 8.240 nan 0.000 0.466 254 K N 1.290 121.731 120.400 0.068 0.000 2.097 254 K HA 0.117 4.443 4.320 0.009 0.000 0.206 254 K C 2.317 178.950 176.600 0.055 0.000 1.049 254 K CA 0.850 57.162 56.287 0.042 0.000 0.933 254 K CB -0.613 31.894 32.500 0.012 0.000 0.717 254 K HN 0.410 nan 8.250 nan 0.000 0.442 255 L N 0.702 121.965 121.223 0.065 0.000 2.156 255 L HA -0.086 4.260 4.340 0.009 0.000 0.208 255 L C 2.422 179.378 176.870 0.143 0.000 1.095 255 L CA 0.494 55.388 54.840 0.089 0.000 0.770 255 L CB -0.308 41.793 42.059 0.071 0.000 0.914 255 L HN 0.086 nan 8.230 nan 0.000 0.439 256 L N -0.504 120.804 121.223 0.143 0.000 2.027 256 L HA -0.225 4.121 4.340 0.009 0.000 0.206 256 L C 2.271 179.265 176.870 0.206 0.000 1.074 256 L CA 1.192 56.140 54.840 0.181 0.000 0.745 256 L CB -0.552 41.594 42.059 0.144 0.000 0.898 256 L HN 0.315 nan 8.230 nan 0.000 0.433 257 D N 0.057 120.532 120.400 0.125 0.000 2.123 257 D HA -0.239 4.407 4.640 0.009 0.000 0.196 257 D C 2.047 178.364 176.300 0.027 0.000 0.992 257 D CA 1.275 55.315 54.000 0.066 0.000 0.833 257 D CB -0.101 40.715 40.800 0.027 0.000 0.954 257 D HN 0.272 nan 8.370 nan 0.000 0.455 258 K N 0.329 120.761 120.400 0.055 0.000 2.097 258 K HA -0.155 4.170 4.320 0.009 0.000 0.206 258 K C 2.207 178.870 176.600 0.104 0.000 1.049 258 K CA 0.853 57.160 56.287 0.033 0.000 0.933 258 K CB -0.197 32.345 32.500 0.071 0.000 0.717 258 K HN 0.292 nan 8.250 nan 0.000 0.442 259 W N 1.948 123.244 121.300 -0.007 0.000 2.355 259 W HA -0.233 4.433 4.660 0.010 0.000 0.309 259 W C 1.327 177.852 176.519 0.010 0.000 1.206 259 W CA 1.379 58.732 57.345 0.013 0.000 1.284 259 W CB -0.337 29.140 29.460 0.028 0.000 1.145 259 W HN 0.175 nan 8.180 nan 0.000 0.502 260 N N 1.155 119.848 118.700 -0.012 0.000 2.104 260 N HA -0.191 4.555 4.740 0.009 0.000 0.190 260 N C 1.036 176.456 175.510 -0.150 0.000 1.024 260 N CA 2.110 55.089 53.050 -0.120 0.000 0.853 260 N CB -0.998 37.504 38.487 0.026 0.000 1.008 260 N HN 0.180 nan 8.380 nan 0.000 0.424 261 D N 0.413 120.710 120.400 -0.171 0.000 2.144 261 D HA -0.077 4.569 4.640 0.009 0.000 0.199 261 D C 2.095 178.377 176.300 -0.030 0.000 0.984 261 D CA 0.518 54.375 54.000 -0.238 0.000 0.834 261 D CB -0.348 40.030 40.800 -0.704 0.000 0.955 261 D HN 0.056 nan 8.370 nan 0.000 0.465 262 V N 1.078 120.924 119.914 -0.114 0.000 2.358 262 V HA -0.197 3.929 4.120 0.009 0.000 0.246 262 V C 2.619 178.585 176.094 -0.213 0.000 1.047 262 V CA 2.194 64.428 62.300 -0.111 0.000 1.035 262 V CB -0.850 30.903 31.823 -0.116 0.000 0.658 262 V HN 0.374 nan 8.190 nan 0.000 0.452 263 T N -1.737 112.565 114.554 -0.419 0.000 2.901 263 T HA 0.056 4.411 4.350 0.009 0.000 0.252 263 T C 1.770 176.326 174.700 -0.239 0.000 1.035 263 T CA 0.945 62.786 62.100 -0.431 0.000 1.142 263 T CB -0.121 68.292 68.868 -0.758 0.000 0.869 263 T HN 0.205 nan 8.240 nan 0.000 0.442 264 I N 1.325 121.788 120.570 -0.178 0.000 2.512 264 I HA 0.302 4.478 4.170 0.009 0.000 0.247 264 I C 2.185 178.347 176.117 0.076 0.000 1.094 264 I CA 1.088 62.340 61.300 -0.080 0.000 1.427 264 I CB -1.847 36.136 38.000 -0.029 0.000 1.149 264 I HN 0.580 nan 8.210 nan 0.000 0.438 265 G N 2.469 111.374 108.800 0.174 0.000 2.272 265 G HA2 -0.334 3.632 3.960 0.009 0.000 0.280 265 G HA3 -0.334 3.632 3.960 0.009 0.000 0.280 265 G C 0.698 175.904 174.900 0.509 0.000 1.067 265 G CA 0.747 46.105 45.100 0.431 0.000 0.902 265 G HN 0.482 nan 8.290 nan 0.000 0.500 266 N N -0.799 118.160 118.700 0.432 0.000 2.272 266 N HA -0.147 4.599 4.740 0.009 0.000 0.185 266 N C 1.941 177.641 175.510 0.316 0.000 1.014 266 N CA 1.595 54.865 53.050 0.367 0.000 0.870 266 N CB -0.218 38.416 38.487 0.246 0.000 0.975 266 N HN 0.865 nan 8.380 nan 0.000 0.433 267 Y N -0.018 120.347 120.300 0.109 0.000 2.616 267 Y HA 0.097 4.652 4.550 0.009 0.000 0.296 267 Y C 1.217 177.154 175.900 0.062 0.000 1.154 267 Y CA -0.037 58.111 58.100 0.080 0.000 1.325 267 Y CB -0.638 37.863 38.460 0.069 0.000 1.007 267 Y HN -0.094 nan 8.280 nan 0.000 0.542 268 V N -2.751 116.963 119.914 -0.333 0.000 2.988 268 V HA 0.305 4.431 4.120 0.009 0.000 0.356 268 V C -0.272 175.694 176.094 -0.214 0.000 1.380 268 V CA -0.963 61.086 62.300 -0.419 0.000 1.184 268 V CB -1.688 29.795 31.823 -0.566 0.000 1.204 268 V HN 0.218 nan 8.190 nan 0.000 0.530 269 Y N 1.735 121.845 120.300 -0.317 0.000 2.465 269 Y HA 0.522 5.078 4.550 0.011 0.000 0.331 269 Y C 0.019 175.613 175.900 -0.511 0.000 1.102 269 Y CA -0.007 57.770 58.100 -0.539 0.000 1.358 269 Y CB 0.916 38.919 38.460 -0.761 0.000 1.213 269 Y HN 0.408 nan 8.280 nan 0.000 0.525 270 D N 4.228 123.987 120.400 -1.067 0.000 2.392 270 D HA 0.167 4.813 4.640 0.009 0.000 0.228 270 D C 0.591 176.299 176.300 -0.988 0.000 1.074 270 D CA -0.276 53.246 54.000 -0.796 0.000 0.838 270 D CB 1.461 41.973 40.800 -0.480 0.000 1.067 270 D HN 0.764 nan 8.370 nan 0.000 0.511 271 T N 2.000 116.149 114.554 -0.676 0.000 2.881 271 T HA -0.123 4.233 4.350 0.009 0.000 0.270 271 T C 1.440 175.981 174.700 -0.266 0.000 1.068 271 T CA 0.686 62.568 62.100 -0.363 0.000 1.131 271 T CB 0.064 68.877 68.868 -0.093 0.000 0.871 271 T HN 0.356 nan 8.240 nan 0.000 0.479 272 N N 1.216 119.757 118.700 -0.264 0.000 2.216 272 N HA -0.040 4.705 4.740 0.009 0.000 0.183 272 N C 0.629 176.002 175.510 -0.228 0.000 1.017 272 N CA 0.571 53.503 53.050 -0.196 0.000 0.861 272 N CB -0.375 38.011 38.487 -0.168 0.000 0.986 272 N HN 0.463 nan 8.380 nan 0.000 0.428 273 D N 1.034 121.247 120.400 -0.313 0.000 2.412 273 D HA 0.011 4.657 4.640 0.009 0.000 0.257 273 D C 0.468 176.602 176.300 -0.275 0.000 1.217 273 D CA 0.238 54.051 54.000 -0.312 0.000 0.897 273 D CB 0.902 41.483 40.800 -0.365 0.000 1.132 273 D HN -0.015 nan 8.370 nan 0.000 0.493 274 S N 3.184 118.747 115.700 -0.228 0.000 2.402 274 S HA -0.124 4.352 4.470 0.009 0.000 0.229 274 S C 1.510 176.022 174.600 -0.147 0.000 1.021 274 S CA 0.868 58.965 58.200 -0.172 0.000 0.974 274 S CB 0.071 63.173 63.200 -0.163 0.000 0.800 274 S HN 0.557 nan 8.310 nan 0.000 0.484 275 N N 0.831 119.414 118.700 -0.194 0.000 2.171 275 N HA 0.090 4.836 4.740 0.009 0.000 0.184 275 N C 1.796 177.305 175.510 -0.003 0.000 1.021 275 N CA 1.093 54.072 53.050 -0.119 0.000 0.854 275 N CB -0.125 38.246 38.487 -0.192 0.000 0.994 275 N HN 0.313 nan 8.380 nan 0.000 0.426 276 M N 0.516 120.093 119.600 -0.038 0.000 2.117 276 M HA -0.173 4.313 4.480 0.009 0.000 0.262 276 M C 1.947 178.369 176.300 0.203 0.000 1.065 276 M CA 1.490 56.849 55.300 0.097 0.000 1.114 276 M CB -0.377 32.013 32.600 -0.350 0.000 1.361 276 M HN 0.233 nan 8.290 nan 0.000 0.408 277 Q N 0.325 120.139 119.800 0.022 0.000 2.084 277 Q HA -0.167 4.179 4.340 0.009 0.000 0.202 277 Q C 2.039 178.104 176.000 0.107 0.000 0.978 277 Q CA 1.381 57.252 55.803 0.112 0.000 0.844 277 Q CB -0.108 28.633 28.738 0.006 0.000 0.898 277 Q HN 0.481 nan 8.270 nan 0.000 0.426 278 K N 0.394 120.827 120.400 0.055 0.000 2.057 278 K HA -0.154 4.172 4.320 0.009 0.000 0.207 278 K C 2.042 178.688 176.600 0.077 0.000 1.049 278 K CA 0.817 57.129 56.287 0.040 0.000 0.931 278 K CB -0.076 32.425 32.500 0.002 0.000 0.714 278 K HN 0.062 nan 8.250 nan 0.000 0.440 279 L N 1.131 122.436 121.223 0.137 0.000 1.973 279 L HA -0.208 4.138 4.340 0.009 0.000 0.208 279 L C 2.039 179.020 176.870 0.185 0.000 1.073 279 L CA 1.586 56.517 54.840 0.152 0.000 0.746 279 L CB -0.501 41.682 42.059 0.208 0.000 0.891 279 L HN 0.156 nan 8.230 nan 0.000 0.433 280 N N -0.681 118.218 118.700 0.331 0.000 2.132 280 N HA -0.315 4.431 4.740 0.009 0.000 0.191 280 N C 1.827 177.404 175.510 0.113 0.000 1.015 280 N CA 1.863 55.062 53.050 0.248 0.000 0.864 280 N CB -0.108 38.480 38.487 0.167 0.000 1.006 280 N HN 0.494 nan 8.380 nan 0.000 0.430 281 Q N 0.372 120.231 119.800 0.098 0.000 2.123 281 Q HA -0.019 4.326 4.340 0.009 0.000 0.199 281 Q C 1.953 177.974 176.000 0.036 0.000 0.966 281 Q CA 1.439 57.275 55.803 0.055 0.000 0.845 281 Q CB -0.148 28.618 28.738 0.046 0.000 0.907 281 Q HN 0.316 nan 8.270 nan 0.000 0.439 282 K N -0.597 119.824 120.400 0.034 0.000 2.103 282 K HA -0.091 4.235 4.320 0.009 0.000 0.204 282 K C 1.854 178.458 176.600 0.007 0.000 1.052 282 K CA 0.858 57.152 56.287 0.013 0.000 0.945 282 K CB -0.093 32.410 32.500 0.004 0.000 0.722 282 K HN 0.273 nan 8.250 nan 0.000 0.443 283 L N 1.888 123.121 121.223 0.017 0.000 2.017 283 L HA -0.180 4.166 4.340 0.009 0.000 0.208 283 L C 1.521 178.397 176.870 0.010 0.000 1.073 283 L CA 1.951 56.796 54.840 0.008 0.000 0.745 283 L CB -0.558 41.513 42.059 0.021 0.000 0.894 283 L HN 0.176 nan 8.230 nan 0.000 0.432 284 D N -0.610 119.803 120.400 0.022 0.000 2.264 284 D HA -0.155 4.491 4.640 0.009 0.000 0.208 284 D C 2.067 178.375 176.300 0.014 0.000 0.966 284 D CA 0.825 54.837 54.000 0.021 0.000 0.864 284 D CB 0.189 41.003 40.800 0.024 0.000 0.933 284 D HN 0.531 nan 8.370 nan 0.000 0.499 285 E N -0.575 119.630 120.200 0.009 0.000 2.216 285 E HA -0.054 4.302 4.350 0.009 0.000 0.192 285 E C 1.758 178.355 176.600 -0.004 0.000 0.988 285 E CA 0.708 57.110 56.400 0.004 0.000 0.834 285 E CB 0.243 29.944 29.700 0.002 0.000 0.772 285 E HN 0.128 nan 8.360 nan 0.000 0.479 286 T N 1.096 115.641 114.554 -0.015 0.000 2.809 286 T HA -0.063 4.293 4.350 0.009 0.000 0.260 286 T C 1.525 176.207 174.700 -0.030 0.000 1.039 286 T CA 0.841 62.920 62.100 -0.036 0.000 1.141 286 T CB -0.138 68.696 68.868 -0.057 0.000 0.869 286 T HN 0.068 nan 8.240 nan 0.000 0.437 287 N N 1.880 120.572 118.700 -0.013 0.000 2.205 287 N HA -0.024 4.721 4.740 0.009 0.000 0.186 287 N C 1.960 177.491 175.510 0.035 0.000 1.015 287 N CA 1.212 54.267 53.050 0.010 0.000 0.862 287 N CB -0.566 37.934 38.487 0.021 0.000 0.986 287 N HN 0.421 nan 8.380 nan 0.000 0.429 288 A N 1.413 124.249 122.820 0.026 0.000 1.858 288 A HA -0.136 4.189 4.320 0.009 0.000 0.216 288 A C 2.146 179.758 177.584 0.046 0.000 1.190 288 A CA 1.426 53.483 52.037 0.033 0.000 0.617 288 A CB -0.418 18.595 19.000 0.022 0.000 0.827 288 A HN 0.228 nan 8.150 nan 0.000 0.443 289 K N -0.171 120.250 120.400 0.035 0.000 2.032 289 K HA -0.160 4.166 4.320 0.009 0.000 0.209 289 K C 1.828 178.493 176.600 0.107 0.000 1.048 289 K CA 1.607 57.922 56.287 0.047 0.000 0.927 289 K CB -0.270 32.238 32.500 0.014 0.000 0.712 289 K HN 0.439 nan 8.250 nan 0.000 0.441 290 N N 1.045 119.808 118.700 0.105 0.000 2.142 290 N HA -0.118 4.628 4.740 0.009 0.000 0.186 290 N C 1.842 177.628 175.510 0.459 0.000 1.023 290 N CA 1.113 54.341 53.050 0.297 0.000 0.852 290 N CB -0.215 38.286 38.487 0.022 0.000 0.998 290 N HN 0.186 nan 8.380 nan 0.000 0.424 291 I N 1.266 121.976 120.570 0.234 0.000 2.394 291 I HA -0.210 3.966 4.170 0.009 0.000 0.251 291 I C 2.441 178.611 176.117 0.088 0.000 1.136 291 I CA 1.009 62.401 61.300 0.153 0.000 1.425 291 I CB -0.171 37.880 38.000 0.085 0.000 1.079 291 I HN 0.284 nan 8.210 nan 0.000 0.425 292 E N 1.599 121.853 120.200 0.091 0.000 2.158 292 E HA -0.122 4.234 4.350 0.009 0.000 0.191 292 E C 1.992 178.623 176.600 0.051 0.000 0.982 292 E CA 1.046 57.476 56.400 0.050 0.000 0.823 292 E CB 0.052 29.779 29.700 0.045 0.000 0.766 292 E HN 0.391 nan 8.360 nan 0.000 0.468 293 A N 1.033 123.928 122.820 0.125 0.000 2.275 293 A HA 0.216 4.542 4.320 0.009 0.000 0.212 293 A C 1.069 178.649 177.584 -0.007 0.000 1.201 293 A CA -0.424 51.687 52.037 0.125 0.000 0.843 293 A CB -0.287 18.856 19.000 0.238 0.000 0.873 293 A HN 0.416 nan 8.150 nan 0.000 0.492 294 I N 0.480 120.960 120.570 -0.151 0.000 2.648 294 I HA 0.094 4.269 4.170 0.009 0.000 0.284 294 I C -0.073 175.769 176.117 -0.458 0.000 1.153 294 I CA -0.334 60.574 61.300 -0.653 0.000 1.426 294 I CB 0.608 38.198 38.000 -0.683 0.000 1.381 294 I HN -0.026 nan 8.210 nan 0.000 0.571 295 K N 5.794 125.874 120.400 -0.532 0.000 2.339 295 K HA 0.185 4.511 4.320 0.009 0.000 0.286 295 K C 0.142 176.475 176.600 -0.445 0.000 1.050 295 K CA -0.123 55.918 56.287 -0.411 0.000 0.956 295 K CB 0.896 33.132 32.500 -0.439 0.000 0.990 295 K HN 0.462 nan 8.250 nan 0.000 0.475 296 L N 2.138 123.164 121.223 -0.328 0.000 2.664 296 L HA 0.151 4.496 4.340 0.009 0.000 0.233 296 L C -0.195 176.520 176.870 -0.259 0.000 1.113 296 L CA 0.253 54.916 54.840 -0.295 0.000 0.896 296 L CB -0.522 41.411 42.059 -0.210 0.000 1.163 296 L HN 0.672 nan 8.230 nan 0.000 0.497 297 D N -0.801 119.451 120.400 -0.247 0.000 2.581 297 D HA -0.117 4.529 4.640 0.009 0.000 0.238 297 D C 1.651 177.839 176.300 -0.186 0.000 1.145 297 D CA 0.757 54.644 54.000 -0.189 0.000 0.866 297 D CB 0.947 41.639 40.800 -0.179 0.000 1.151 297 D HN 0.198 nan 8.370 nan 0.000 0.500 298 S N 3.344 118.972 115.700 -0.120 0.000 2.420 298 S HA -0.236 4.240 4.470 0.009 0.000 0.237 298 S C 1.114 175.702 174.600 -0.020 0.000 1.023 298 S CA 0.994 59.150 58.200 -0.073 0.000 0.991 298 S CB -0.112 63.070 63.200 -0.031 0.000 0.792 298 S HN 0.634 nan 8.310 nan 0.000 0.488 299 N N 1.653 120.334 118.700 -0.033 0.000 2.458 299 N HA 0.118 4.864 4.740 0.009 0.000 0.274 299 N C -0.126 175.377 175.510 -0.012 0.000 1.242 299 N CA -0.287 52.774 53.050 0.018 0.000 0.904 299 N CB 0.451 38.942 38.487 0.008 0.000 1.206 299 N HN 0.567 nan 8.380 nan 0.000 0.510 300 R N 0.417 120.861 120.500 -0.093 0.000 2.679 300 R HA 0.104 4.449 4.340 0.009 0.000 0.269 300 R C 0.527 176.837 176.300 0.017 0.000 1.076 300 R CA 0.286 56.248 56.100 -0.231 0.000 1.160 300 R CB 0.065 30.078 30.300 -0.477 0.000 1.054 300 R HN -0.063 nan 8.270 nan 0.000 0.507 301 T N -1.859 112.641 114.554 -0.091 0.000 3.044 301 T HA 0.254 4.609 4.350 0.009 0.000 0.260 301 T C 0.249 175.295 174.700 0.577 0.000 1.019 301 T CA -0.342 61.956 62.100 0.329 0.000 0.921 301 T CB -0.303 68.752 68.868 0.311 0.000 1.053 301 T HN 0.612 nan 8.240 nan 0.000 0.533 302 F N -1.486 118.623 119.950 0.265 0.000 2.831 302 F HA 0.667 5.199 4.527 0.009 0.000 0.318 302 F C -0.083 175.596 175.800 -0.201 0.000 1.174 302 F CA -1.559 56.530 58.000 0.148 0.000 0.918 302 F CB 0.775 39.831 39.000 0.094 0.000 1.364 302 F HN -0.246 nan 8.300 nan 0.000 0.475 303 L N -0.824 120.432 121.223 0.054 0.000 2.467 303 L HA 0.261 4.607 4.340 0.009 0.000 0.213 303 L C -0.535 176.016 176.870 -0.533 0.000 1.053 303 L CA 0.282 54.837 54.840 -0.475 0.000 0.847 303 L CB 0.571 42.224 42.059 -0.675 0.000 1.075 303 L HN 0.424 nan 8.230 nan 0.000 0.479 304 W N 0.434 121.860 121.300 0.210 0.000 2.839 304 W HA 0.286 4.952 4.660 0.010 0.000 0.334 304 W C 0.682 177.274 176.519 0.122 0.000 1.064 304 W CA -0.898 56.530 57.345 0.139 0.000 1.236 304 W CB 1.546 31.023 29.460 0.028 0.000 1.405 304 W HN -0.151 nan 8.180 nan 0.000 0.478 305 K N 0.921 121.501 120.400 0.300 0.000 2.360 305 K HA -0.173 4.152 4.320 0.009 0.000 0.201 305 K C 0.912 177.456 176.600 -0.092 0.000 1.046 305 K CA 1.455 57.773 56.287 0.052 0.000 0.940 305 K CB 0.084 32.668 32.500 0.140 0.000 0.748 305 K HN 0.455 nan 8.250 nan 0.000 0.465 306 D N -0.760 119.652 120.400 0.019 0.000 2.340 306 D HA -0.024 4.622 4.640 0.009 0.000 0.217 306 D C 0.525 176.793 176.300 -0.052 0.000 1.081 306 D CA -0.002 53.979 54.000 -0.031 0.000 0.842 306 D CB -0.005 40.790 40.800 -0.009 0.000 0.934 306 D HN 0.082 nan 8.370 nan 0.000 0.511 307 L N 1.458 122.650 121.223 -0.052 0.000 2.745 307 L HA 0.154 4.499 4.340 0.009 0.000 0.296 307 L C 0.179 176.963 176.870 -0.144 0.000 1.362 307 L CA -0.322 54.492 54.840 -0.042 0.000 0.724 307 L CB 1.147 43.249 42.059 0.072 0.000 1.069 307 L HN -0.171 nan 8.230 nan 0.000 0.535 308 D N -1.584 118.564 120.400 -0.420 0.000 2.355 308 D HA -0.065 4.581 4.640 0.009 0.000 0.218 308 D C 0.589 176.709 176.300 -0.300 0.000 1.004 308 D CA 0.270 53.719 54.000 -0.917 0.000 0.880 308 D CB 0.206 40.177 40.800 -1.382 0.000 0.911 308 D HN 0.134 nan 8.370 nan 0.000 0.528 309 N N 1.061 119.686 118.700 -0.125 0.000 3.044 309 N HA 0.144 4.890 4.740 0.009 0.000 0.254 309 N C 0.612 176.117 175.510 -0.008 0.000 1.253 309 N CA -0.286 52.762 53.050 -0.002 0.000 0.944 309 N CB 0.386 38.873 38.487 -0.000 0.000 1.217 309 N HN 0.071 nan 8.380 nan 0.000 0.498 310 L N 0.958 122.149 121.223 -0.052 0.000 2.675 310 L HA 0.024 4.369 4.340 0.009 0.000 0.238 310 L C 0.944 177.710 176.870 -0.173 0.000 1.155 310 L CA 0.498 55.127 54.840 -0.352 0.000 0.881 310 L CB -0.294 41.098 42.059 -1.111 0.000 1.008 310 L HN 0.385 nan 8.230 nan 0.000 0.443 311 N N -0.052 118.713 118.700 0.108 0.000 2.336 311 N HA -0.033 4.713 4.740 0.009 0.000 0.189 311 N C 0.556 176.166 175.510 0.166 0.000 1.113 311 N CA -0.155 53.035 53.050 0.233 0.000 0.858 311 N CB 0.323 38.958 38.487 0.247 0.000 0.970 311 N HN 0.327 nan 8.380 nan 0.000 0.471 312 N N -0.068 118.687 118.700 0.092 0.000 2.457 312 N HA 0.135 4.881 4.740 0.009 0.000 0.250 312 N C 0.508 176.060 175.510 0.071 0.000 0.982 312 N CA -0.228 52.868 53.050 0.078 0.000 0.941 312 N CB 0.878 39.387 38.487 0.036 0.000 1.120 312 N HN -0.171 nan 8.380 nan 0.000 0.505 313 S N 2.967 118.743 115.700 0.128 0.000 2.380 313 S HA -0.303 4.173 4.470 0.009 0.000 0.229 313 S C 1.900 176.525 174.600 0.041 0.000 1.050 313 S CA 1.996 60.271 58.200 0.125 0.000 1.100 313 S CB -0.382 62.938 63.200 0.200 0.000 0.984 313 S HN 0.815 nan 8.310 nan 0.000 0.434 314 A N 0.503 123.343 122.820 0.033 0.000 1.940 314 A HA -0.175 4.151 4.320 0.009 0.000 0.219 314 A C 2.067 179.647 177.584 -0.008 0.000 1.176 314 A CA 1.559 53.601 52.037 0.008 0.000 0.631 314 A CB -0.556 18.432 19.000 -0.020 0.000 0.814 314 A HN 0.622 nan 8.150 nan 0.000 0.446 315 Q N -1.447 118.345 119.800 -0.013 0.000 2.172 315 Q HA -0.079 4.267 4.340 0.009 0.000 0.200 315 Q C 1.987 177.969 176.000 -0.031 0.000 0.964 315 Q CA 1.277 57.064 55.803 -0.027 0.000 0.855 315 Q CB -0.167 28.551 28.738 -0.034 0.000 0.918 315 Q HN 0.625 nan 8.270 nan 0.000 0.444 316 L N -0.055 121.140 121.223 -0.046 0.000 2.313 316 L HA -0.043 4.303 4.340 0.009 0.000 0.214 316 L C 1.938 178.840 176.870 0.054 0.000 1.119 316 L CA 1.411 56.220 54.840 -0.051 0.000 0.809 316 L CB -0.116 41.880 42.059 -0.105 0.000 0.933 316 L HN 0.016 nan 8.230 nan 0.000 0.449 317 T N -0.494 114.064 114.554 0.007 0.000 2.809 317 T HA 0.002 4.358 4.350 0.009 0.000 0.260 317 T C 1.911 176.633 174.700 0.036 0.000 1.039 317 T CA 1.048 63.155 62.100 0.011 0.000 1.141 317 T CB -0.286 68.591 68.868 0.015 0.000 0.869 317 T HN 0.464 nan 8.240 nan 0.000 0.437 318 A N 1.362 124.185 122.820 0.004 0.000 1.978 318 A HA -0.139 4.187 4.320 0.009 0.000 0.220 318 A C 2.478 180.032 177.584 -0.050 0.000 1.170 318 A CA 2.090 54.107 52.037 -0.034 0.000 0.636 318 A CB -1.199 17.766 19.000 -0.059 0.000 0.810 318 A HN 0.483 nan 8.150 nan 0.000 0.448 319 T N -1.554 113.002 114.554 0.003 0.000 2.737 319 T HA -0.132 4.223 4.350 0.009 0.000 0.265 319 T C 1.743 176.476 174.700 0.055 0.000 1.038 319 T CA 1.652 63.782 62.100 0.050 0.000 1.144 319 T CB -0.444 68.485 68.868 0.102 0.000 0.866 319 T HN 0.515 nan 8.240 nan 0.000 0.434 320 Y N 1.369 121.668 120.300 -0.002 0.000 2.274 320 Y HA -0.035 4.521 4.550 0.009 0.000 0.290 320 Y C 2.667 178.545 175.900 -0.036 0.000 1.145 320 Y CA 0.957 59.044 58.100 -0.022 0.000 1.203 320 Y CB -0.173 38.220 38.460 -0.111 0.000 0.984 320 Y HN 0.037 nan 8.280 nan 0.000 0.533 321 R N -0.459 120.096 120.500 0.092 0.000 2.115 321 R HA -0.088 4.258 4.340 0.009 0.000 0.230 321 R C 2.273 178.550 176.300 -0.038 0.000 1.111 321 R CA 0.989 57.098 56.100 0.015 0.000 0.976 321 R CB -0.090 30.199 30.300 -0.019 0.000 0.870 321 R HN 0.266 nan 8.270 nan 0.000 0.445 322 R N 0.170 120.601 120.500 -0.116 0.000 2.092 322 R HA -0.073 4.272 4.340 0.009 0.000 0.231 322 R C 2.116 178.377 176.300 -0.065 0.000 1.119 322 R CA 1.078 57.043 56.100 -0.225 0.000 0.970 322 R CB -0.232 29.682 30.300 -0.643 0.000 0.864 322 R HN 0.228 nan 8.270 nan 0.000 0.440 323 L N 0.229 121.480 121.223 0.047 0.000 2.156 323 L HA -0.104 4.242 4.340 0.009 0.000 0.208 323 L C 2.446 179.373 176.870 0.096 0.000 1.095 323 L CA 1.054 55.965 54.840 0.119 0.000 0.770 323 L CB -0.358 41.790 42.059 0.149 0.000 0.914 323 L HN 0.238 nan 8.230 nan 0.000 0.439 324 E N 0.462 120.707 120.200 0.075 0.000 2.051 324 E HA -0.245 4.111 4.350 0.009 0.000 0.192 324 E C 1.580 178.209 176.600 0.048 0.000 0.991 324 E CA 1.398 57.839 56.400 0.069 0.000 0.799 324 E CB 0.140 29.870 29.700 0.050 0.000 0.748 324 E HN 0.384 nan 8.360 nan 0.000 0.449 325 D N 0.335 120.744 120.400 0.014 0.000 2.221 325 D HA -0.143 4.503 4.640 0.009 0.000 0.204 325 D C 1.932 178.248 176.300 0.026 0.000 0.982 325 D CA 0.590 54.590 54.000 -0.000 0.000 0.857 325 D CB -0.048 40.728 40.800 -0.039 0.000 0.934 325 D HN 0.212 nan 8.370 nan 0.000 0.475 326 L N 0.197 121.446 121.223 0.044 0.000 2.005 326 L HA -0.113 4.233 4.340 0.009 0.000 0.207 326 L C 2.442 179.361 176.870 0.083 0.000 1.072 326 L CA 1.109 55.987 54.840 0.063 0.000 0.744 326 L CB -0.477 41.630 42.059 0.079 0.000 0.895 326 L HN 0.000 nan 8.230 nan 0.000 0.433 327 A N 0.106 122.988 122.820 0.103 0.000 2.024 327 A HA -0.244 4.081 4.320 0.009 0.000 0.220 327 A C 2.242 179.908 177.584 0.138 0.000 1.164 327 A CA 1.771 53.891 52.037 0.138 0.000 0.643 327 A CB -0.369 18.729 19.000 0.162 0.000 0.806 327 A HN 0.372 nan 8.150 nan 0.000 0.451 328 K N -0.946 119.515 120.400 0.101 0.000 2.057 328 K HA -0.097 4.228 4.320 0.009 0.000 0.206 328 K C 2.123 178.793 176.600 0.116 0.000 1.050 328 K CA 1.308 57.650 56.287 0.092 0.000 0.935 328 K CB -0.095 32.430 32.500 0.041 0.000 0.715 328 K HN 0.371 nan 8.250 nan 0.000 0.439 329 Q N 0.397 120.259 119.800 0.104 0.000 2.331 329 Q HA 0.064 4.410 4.340 0.009 0.000 0.203 329 Q C 2.012 178.109 176.000 0.163 0.000 0.944 329 Q CA 0.802 56.671 55.803 0.111 0.000 0.892 329 Q CB 0.184 28.968 28.738 0.076 0.000 0.983 329 Q HN 0.378 nan 8.270 nan 0.000 0.482 330 I N 0.969 121.636 120.570 0.162 0.000 2.614 330 I HA -0.174 4.002 4.170 0.009 0.000 0.258 330 I C 1.580 177.899 176.117 0.337 0.000 1.189 330 I CA 1.474 62.883 61.300 0.182 0.000 1.462 330 I CB 0.032 38.088 38.000 0.094 0.000 1.092 330 I HN 0.159 nan 8.210 nan 0.000 0.442 331 T N -3.445 111.306 114.554 0.328 0.000 3.092 331 T HA 0.129 4.484 4.350 0.009 0.000 0.258 331 T C 0.577 175.439 174.700 0.270 0.000 1.031 331 T CA -0.373 61.959 62.100 0.386 0.000 0.925 331 T CB -0.353 68.686 68.868 0.284 0.000 1.036 331 T HN 0.004 nan 8.240 nan 0.000 0.544 332 N N 2.678 121.484 118.700 0.176 0.000 2.500 332 N HA 0.333 5.078 4.740 0.009 0.000 0.236 332 N C -2.148 173.108 175.510 -0.423 0.000 1.022 332 N CA -2.586 50.438 53.050 -0.043 0.000 0.935 332 N CB 1.721 40.208 38.487 -0.000 0.000 1.147 332 N HN -0.048 nan 8.380 nan 0.000 0.512 333 P HA -0.130 nan 4.420 nan 0.000 0.220 333 P C -0.068 176.676 177.300 -0.925 0.000 1.144 333 P CA 1.390 63.598 63.100 -1.486 0.000 0.800 333 P CB 0.045 31.190 31.700 -0.924 0.000 0.772 334 H N -2.064 116.726 119.070 -0.467 0.000 2.488 334 H HA 0.344 4.907 4.556 0.010 0.000 0.294 334 H C 0.479 175.619 175.328 -0.313 0.000 1.088 334 H CA -0.099 55.729 56.048 -0.368 0.000 1.086 334 H CB 0.363 29.819 29.762 -0.510 0.000 1.569 334 H HN 0.079 nan 8.280 nan 0.000 0.548 335 S N -0.157 115.465 115.700 -0.129 0.000 2.681 335 S HA 0.173 4.649 4.470 0.009 0.000 0.299 335 S C 1.328 175.950 174.600 0.038 0.000 1.113 335 S CA -0.440 57.742 58.200 -0.030 0.000 1.013 335 S CB 1.978 65.193 63.200 0.026 0.000 1.076 335 S HN 0.145 nan 8.310 nan 0.000 0.534 336 T N 2.278 116.856 114.554 0.039 0.000 2.904 336 T HA 0.029 4.385 4.350 0.009 0.000 0.267 336 T C 1.331 176.067 174.700 0.061 0.000 1.059 336 T CA 1.488 63.614 62.100 0.044 0.000 1.137 336 T CB -0.486 68.400 68.868 0.030 0.000 0.879 336 T HN 0.711 nan 8.240 nan 0.000 0.467 337 I N -1.803 118.810 120.570 0.073 0.000 3.891 337 I HA 0.355 4.531 4.170 0.009 0.000 0.331 337 I C 0.140 176.313 176.117 0.093 0.000 1.406 337 I CA -0.866 60.471 61.300 0.061 0.000 1.139 337 I CB -0.509 37.517 38.000 0.043 0.000 1.056 337 I HN -0.063 nan 8.210 nan 0.000 0.399 338 Y N 3.977 124.280 120.300 0.005 0.000 2.770 338 Y HA 0.022 4.578 4.550 0.010 0.000 0.342 338 Y C 1.127 177.051 175.900 0.039 0.000 1.221 338 Y CA 0.062 58.175 58.100 0.021 0.000 1.560 338 Y CB -0.010 38.443 38.460 -0.010 0.000 1.213 338 Y HN 0.365 nan 8.280 nan 0.000 0.525 339 K N 2.292 122.486 120.400 -0.344 0.000 3.407 339 K HA -0.365 3.961 4.320 0.009 0.000 0.312 339 K C -0.001 176.513 176.600 -0.144 0.000 1.302 339 K CA 0.993 57.108 56.287 -0.286 0.000 0.931 339 K CB -1.070 31.106 32.500 -0.541 0.000 1.257 339 K HN 0.837 nan 8.250 nan 0.000 0.454 340 N N 1.495 120.130 118.700 -0.108 0.000 2.452 340 N HA -0.052 4.694 4.740 0.009 0.000 0.266 340 N C 0.775 176.224 175.510 -0.102 0.000 1.209 340 N CA 0.577 53.584 53.050 -0.071 0.000 0.929 340 N CB 0.929 39.396 38.487 -0.033 0.000 1.063 340 N HN 0.283 nan 8.380 nan 0.000 0.472 341 E N 3.563 123.717 120.200 -0.077 0.000 2.110 341 E HA -0.241 4.115 4.350 0.009 0.000 0.193 341 E C 1.614 178.158 176.600 -0.094 0.000 0.988 341 E CA 1.188 57.530 56.400 -0.096 0.000 0.804 341 E CB 0.184 29.860 29.700 -0.041 0.000 0.745 341 E HN 0.681 nan 8.360 nan 0.000 0.458 342 K N 0.371 120.735 120.400 -0.061 0.000 2.026 342 K HA -0.131 4.195 4.320 0.009 0.000 0.208 342 K C 2.009 178.574 176.600 -0.059 0.000 1.048 342 K CA 1.407 57.662 56.287 -0.054 0.000 0.929 342 K CB -0.252 32.227 32.500 -0.035 0.000 0.713 342 K HN 0.106 nan 8.250 nan 0.000 0.439 343 A N 1.113 123.902 122.820 -0.051 0.000 1.940 343 A HA -0.136 4.190 4.320 0.009 0.000 0.219 343 A C 2.144 179.685 177.584 -0.072 0.000 1.176 343 A CA 1.690 53.706 52.037 -0.036 0.000 0.631 343 A CB -0.643 18.346 19.000 -0.019 0.000 0.814 343 A HN 0.400 nan 8.150 nan 0.000 0.446 344 I N -1.086 119.395 120.570 -0.149 0.000 2.110 344 I HA -0.257 3.918 4.170 0.009 0.000 0.236 344 I C 2.746 178.744 176.117 -0.198 0.000 1.068 344 I CA 1.455 62.605 61.300 -0.250 0.000 1.333 344 I CB -0.394 37.330 38.000 -0.461 0.000 1.054 344 I HN 0.265 nan 8.210 nan 0.000 0.402 345 R N 0.115 120.511 120.500 -0.174 0.000 2.139 345 R HA -0.168 4.178 4.340 0.009 0.000 0.243 345 R C 2.247 178.494 176.300 -0.088 0.000 1.145 345 R CA 1.968 57.989 56.100 -0.133 0.000 0.976 345 R CB -0.680 29.560 30.300 -0.100 0.000 0.866 345 R HN 0.422 nan 8.270 nan 0.000 0.449 346 T N 0.421 114.933 114.554 -0.070 0.000 2.746 346 T HA -0.093 4.263 4.350 0.009 0.000 0.267 346 T C 1.971 176.665 174.700 -0.011 0.000 1.039 346 T CA 1.286 63.357 62.100 -0.048 0.000 1.142 346 T CB -0.111 68.744 68.868 -0.021 0.000 0.866 346 T HN 0.014 nan 8.240 nan 0.000 0.444 347 V N 1.450 121.371 119.914 0.011 0.000 2.307 347 V HA -0.121 4.004 4.120 0.009 0.000 0.245 347 V C 2.511 178.668 176.094 0.105 0.000 1.045 347 V CA 1.446 63.794 62.300 0.081 0.000 1.024 347 V CB -0.406 31.484 31.823 0.112 0.000 0.651 347 V HN 0.440 nan 8.190 nan 0.000 0.449 348 K N -0.137 120.272 120.400 0.016 0.000 2.097 348 K HA -0.201 4.124 4.320 0.009 0.000 0.206 348 K C 2.109 178.755 176.600 0.077 0.000 1.049 348 K CA 1.642 57.935 56.287 0.011 0.000 0.933 348 K CB -0.162 32.207 32.500 -0.219 0.000 0.717 348 K HN 0.539 nan 8.250 nan 0.000 0.442 349 E N 0.296 120.512 120.200 0.026 0.000 2.152 349 E HA -0.057 4.299 4.350 0.009 0.000 0.192 349 E C 1.975 178.619 176.600 0.073 0.000 0.983 349 E CA 0.731 57.157 56.400 0.044 0.000 0.818 349 E CB 0.203 29.891 29.700 -0.021 0.000 0.758 349 E HN 0.116 nan 8.360 nan 0.000 0.467 350 S N 0.650 116.370 115.700 0.034 0.000 2.406 350 S HA -0.008 4.468 4.470 0.009 0.000 0.228 350 S C 1.882 176.532 174.600 0.082 0.000 1.020 350 S CA 0.465 58.690 58.200 0.041 0.000 0.965 350 S CB 0.032 63.224 63.200 -0.013 0.000 0.798 350 S HN 0.205 nan 8.310 nan 0.000 0.488 351 L N 0.966 122.209 121.223 0.033 0.000 2.072 351 L HA -0.061 4.284 4.340 0.009 0.000 0.205 351 L C 2.771 179.543 176.870 -0.163 0.000 1.079 351 L CA 1.223 55.988 54.840 -0.126 0.000 0.752 351 L CB -0.745 41.168 42.059 -0.243 0.000 0.906 351 L HN 0.336 nan 8.230 nan 0.000 0.436 352 A N -0.847 122.008 122.820 0.060 0.000 1.930 352 A HA -0.270 4.056 4.320 0.009 0.000 0.217 352 A C 1.998 179.786 177.584 0.341 0.000 1.175 352 A CA 1.429 53.653 52.037 0.311 0.000 0.627 352 A CB -0.857 18.355 19.000 0.353 0.000 0.815 352 A HN 0.616 nan 8.150 nan 0.000 0.443 353 W N 0.215 121.574 121.300 0.099 0.000 2.453 353 W HA 0.034 4.699 4.660 0.009 0.000 0.289 353 W C 1.655 178.254 176.519 0.134 0.000 1.215 353 W CA 1.333 58.730 57.345 0.087 0.000 1.297 353 W CB -0.098 29.382 29.460 0.035 0.000 1.113 353 W HN 0.218 nan 8.180 nan 0.000 0.551 354 L N -0.223 121.179 121.223 0.298 0.000 2.156 354 L HA -0.188 4.158 4.340 0.009 0.000 0.208 354 L C 2.473 179.500 176.870 0.262 0.000 1.095 354 L CA 1.621 56.590 54.840 0.214 0.000 0.770 354 L CB -0.952 41.064 42.059 -0.072 0.000 0.914 354 L HN 0.104 nan 8.230 nan 0.000 0.439 355 H N -0.211 118.965 119.070 0.176 0.000 2.333 355 H HA -0.171 4.390 4.556 0.010 0.000 0.302 355 H C 2.278 177.674 175.328 0.112 0.000 1.075 355 H CA 1.817 58.009 56.048 0.239 0.000 1.348 355 H CB 0.096 30.036 29.762 0.297 0.000 1.393 355 H HN 0.221 nan 8.280 nan 0.000 0.509 356 Q N -0.154 119.534 119.800 -0.186 0.000 2.124 356 Q HA -0.131 4.214 4.340 0.009 0.000 0.202 356 Q C 1.165 176.923 176.000 -0.404 0.000 0.977 356 Q CA 2.001 57.614 55.803 -0.317 0.000 0.850 356 Q CB 0.088 28.731 28.738 -0.158 0.000 0.901 356 Q HN 0.682 nan 8.270 nan 0.000 0.429 357 N N -2.107 116.268 118.700 -0.542 0.000 2.322 357 N HA 0.100 4.846 4.740 0.009 0.000 0.181 357 N C 0.249 175.173 175.510 -0.977 0.000 1.088 357 N CA 0.327 52.870 53.050 -0.844 0.000 0.885 357 N CB 0.515 38.197 38.487 -1.342 0.000 1.013 357 N HN 0.125 nan 8.380 nan 0.000 0.472 358 F N -2.001 117.870 119.950 -0.132 0.000 2.675 358 F HA 0.283 4.815 4.527 0.010 0.000 0.315 358 F C -0.416 175.516 175.800 0.219 0.000 0.888 358 F CA -0.451 57.579 58.000 0.050 0.000 1.100 358 F CB 0.637 39.676 39.000 0.065 0.000 0.908 358 F HN -0.148 nan 8.300 nan 0.000 0.657 359 Y N 2.902 123.371 120.300 0.282 0.000 2.805 359 Y HA 0.405 4.961 4.550 0.010 0.000 0.339 359 Y C -0.486 175.621 175.900 0.344 0.000 1.012 359 Y CA -1.313 56.971 58.100 0.307 0.000 1.262 359 Y CB -0.030 38.591 38.460 0.268 0.000 1.100 359 Y HN 0.244 nan 8.280 nan 0.000 0.559 360 N N -0.376 118.373 118.700 0.082 0.000 2.853 360 N HA 0.351 5.097 4.740 0.009 0.000 0.258 360 N C 0.261 175.678 175.510 -0.154 0.000 1.444 360 N CA -0.602 52.464 53.050 0.026 0.000 0.837 360 N CB 0.980 39.366 38.487 -0.168 0.000 1.489 360 N HN 0.046 nan 8.380 nan 0.000 0.529 361 V N -2.339 117.411 119.914 -0.273 0.000 2.407 361 V HA -0.110 4.016 4.120 0.009 0.000 0.248 361 V C 0.895 176.546 176.094 -0.739 0.000 1.055 361 V CA 1.403 63.266 62.300 -0.729 0.000 1.049 361 V CB -0.858 30.692 31.823 -0.454 0.000 0.662 361 V HN 0.693 nan 8.190 nan 0.000 0.455 362 N N 0.770 119.260 118.700 -0.349 0.000 2.567 362 N HA 0.057 4.803 4.740 0.009 0.000 0.195 362 N C 0.540 175.954 175.510 -0.160 0.000 1.242 362 N CA 0.574 53.484 53.050 -0.234 0.000 0.884 362 N CB -0.074 38.317 38.487 -0.161 0.000 1.007 362 N HN 0.626 nan 8.380 nan 0.000 0.450 363 K N 0.875 121.190 120.400 -0.141 0.000 2.312 363 K HA 0.358 4.683 4.320 0.009 0.000 0.236 363 K C -0.646 176.082 176.600 0.213 0.000 1.079 363 K CA -0.412 55.920 56.287 0.076 0.000 0.900 363 K CB 1.367 34.007 32.500 0.234 0.000 1.297 363 K HN 0.066 nan 8.250 nan 0.000 0.498 364 D N -1.487 119.099 120.400 0.310 0.000 2.766 364 D HA 0.174 4.819 4.640 0.009 0.000 0.244 364 D C -0.455 175.825 176.300 -0.032 0.000 1.198 364 D CA -0.668 53.538 54.000 0.343 0.000 0.739 364 D CB -0.000 40.924 40.800 0.207 0.000 1.379 364 D HN 0.318 nan 8.370 nan 0.000 0.437 365 I N 0.904 121.342 120.570 -0.220 0.000 2.775 365 I HA 0.062 4.238 4.170 0.009 0.000 0.290 365 I C 0.913 176.931 176.117 -0.164 0.000 1.203 365 I CA 0.160 61.178 61.300 -0.471 0.000 1.433 365 I CB 0.083 37.894 38.000 -0.315 0.000 1.354 365 I HN 0.315 nan 8.210 nan 0.000 0.579 366 E N 4.375 124.498 120.200 -0.127 0.000 3.362 366 E HA 0.317 4.672 4.350 0.009 0.000 0.253 366 E C 1.039 177.651 176.600 0.019 0.000 0.962 366 E CA -0.302 56.088 56.400 -0.016 0.000 1.399 366 E CB 0.178 29.892 29.700 0.024 0.000 1.668 366 E HN 0.687 nan 8.360 nan 0.000 0.563 367 G N 0.302 109.126 108.800 0.040 0.000 2.572 367 G HA2 -0.187 3.779 3.960 0.009 0.000 0.214 367 G HA3 -0.187 3.779 3.960 0.009 0.000 0.214 367 G C 1.288 176.226 174.900 0.064 0.000 1.246 367 G CA 0.593 45.724 45.100 0.052 0.000 0.835 367 G HN 0.375 nan 8.290 nan 0.000 0.551 368 S N 1.002 116.741 115.700 0.064 0.000 2.805 368 S HA 0.448 4.923 4.470 0.009 0.000 0.230 368 S C 0.737 175.388 174.600 0.086 0.000 0.968 368 S CA 0.426 58.667 58.200 0.068 0.000 0.976 368 S CB -0.778 62.459 63.200 0.063 0.000 0.787 368 S HN 0.625 nan 8.310 nan 0.000 0.533 369 A N 1.704 124.580 122.820 0.093 0.000 2.292 369 A HA 0.548 4.874 4.320 0.009 0.000 0.319 369 A C -0.039 177.625 177.584 0.134 0.000 1.206 369 A CA -0.724 51.389 52.037 0.128 0.000 0.835 369 A CB 0.402 19.450 19.000 0.080 0.000 1.164 369 A HN 0.373 nan 8.150 nan 0.000 0.505 370 N N 3.450 122.242 118.700 0.154 0.000 2.401 370 N HA 0.035 4.781 4.740 0.009 0.000 0.255 370 N C 1.369 176.938 175.510 0.099 0.000 1.110 370 N CA -0.437 52.660 53.050 0.079 0.000 0.949 370 N CB 0.476 38.970 38.487 0.011 0.000 1.110 370 N HN 0.885 nan 8.380 nan 0.000 0.490 371 W N 3.129 124.543 121.300 0.190 0.000 2.341 371 W HA -0.175 4.490 4.660 0.009 0.000 0.283 371 W C 1.252 177.882 176.519 0.186 0.000 1.215 371 W CA -0.060 57.380 57.345 0.159 0.000 1.211 371 W CB -0.948 28.604 29.460 0.153 0.000 1.131 371 W HN 0.601 nan 8.180 nan 0.000 0.552 372 W N 3.017 123.525 121.300 -1.319 0.000 2.355 372 W HA -0.186 4.479 4.660 0.009 0.000 0.309 372 W C 2.145 178.342 176.519 -0.537 0.000 1.206 372 W CA 2.558 59.061 57.345 -1.404 0.000 1.284 372 W CB -0.485 28.165 29.460 -1.350 0.000 1.145 372 W HN -0.209 nan 8.180 nan 0.000 0.502 373 D N -0.565 119.825 120.400 -0.017 0.000 2.178 373 D HA -0.181 4.465 4.640 0.009 0.000 0.201 373 D C 1.922 178.066 176.300 -0.259 0.000 0.980 373 D CA 1.417 55.369 54.000 -0.079 0.000 0.842 373 D CB -0.628 40.205 40.800 0.055 0.000 0.948 373 D HN 0.204 nan 8.370 nan 0.000 0.472 374 F N 1.249 121.081 119.950 -0.197 0.000 2.367 374 F HA 0.032 4.565 4.527 0.009 0.000 0.298 374 F C 2.276 178.007 175.800 -0.115 0.000 1.094 374 F CA 0.721 58.620 58.000 -0.168 0.000 1.409 374 F CB 0.239 39.039 39.000 -0.334 0.000 1.064 374 F HN -0.089 nan 8.300 nan 0.000 0.528 375 E N -0.949 119.268 120.200 0.029 0.000 2.372 375 E HA 0.145 4.501 4.350 0.009 0.000 0.201 375 E C 1.752 178.244 176.600 -0.180 0.000 0.938 375 E CA 0.601 57.053 56.400 0.086 0.000 0.944 375 E CB 0.520 30.427 29.700 0.345 0.000 0.937 375 E HN 0.357 nan 8.360 nan 0.000 0.495 376 I N 0.000 120.168 120.570 -0.671 0.000 3.518 376 I HA 0.111 4.286 4.170 0.009 0.000 0.260 376 I C 2.372 177.891 176.117 -0.997 0.000 1.148 376 I CA 0.479 61.228 61.300 -0.918 0.000 1.440 376 I CB -0.196 36.882 38.000 -1.537 0.000 1.485 376 I HN 0.049 nan 8.210 nan 0.000 0.456 377 G N 1.241 109.173 108.800 -1.446 0.000 2.491 377 G HA2 -0.201 3.765 3.960 0.009 0.000 0.218 377 G HA3 -0.201 3.765 3.960 0.009 0.000 0.218 377 G C 1.617 176.239 174.900 -0.463 0.000 1.180 377 G CA 1.360 45.980 45.100 -0.800 0.000 0.774 377 G HN 0.175 nan 8.290 nan 0.000 0.562 378 V N 1.883 121.469 119.914 -0.547 0.000 2.302 378 V HA -0.037 4.088 4.120 0.009 0.000 0.243 378 V C 0.203 175.872 176.094 -0.709 0.000 1.036 378 V CA 1.935 63.791 62.300 -0.740 0.000 1.020 378 V CB -0.740 30.413 31.823 -1.117 0.000 0.657 378 V HN 0.262 nan 8.190 nan 0.000 0.453 379 P HA -0.175 nan 4.420 nan 0.000 0.217 379 P C 1.659 178.822 177.300 -0.228 0.000 1.148 379 P CA 1.393 64.315 63.100 -0.297 0.000 0.828 379 P CB -0.024 31.619 31.700 -0.096 0.000 0.783 380 R N -0.755 119.603 120.500 -0.236 0.000 2.075 380 R HA -0.058 4.287 4.340 0.009 0.000 0.232 380 R C 2.528 178.769 176.300 -0.098 0.000 1.126 380 R CA 1.789 57.808 56.100 -0.135 0.000 0.963 380 R CB -0.986 29.229 30.300 -0.141 0.000 0.858 380 R HN 0.035 nan 8.270 nan 0.000 0.435 381 S N -0.324 115.278 115.700 -0.163 0.000 2.371 381 S HA -0.016 4.459 4.470 0.009 0.000 0.224 381 S C 1.830 176.375 174.600 -0.092 0.000 1.029 381 S CA 1.034 59.176 58.200 -0.095 0.000 0.978 381 S CB -0.159 62.987 63.200 -0.089 0.000 0.833 381 S HN 0.301 nan 8.310 nan 0.000 0.466 382 I N 1.632 122.066 120.570 -0.226 0.000 2.127 382 I HA -0.214 3.961 4.170 0.009 0.000 0.241 382 I C 2.790 178.858 176.117 -0.082 0.000 1.075 382 I CA 1.791 62.988 61.300 -0.172 0.000 1.334 382 I CB -1.013 36.817 38.000 -0.283 0.000 1.040 382 I HN 0.468 nan 8.210 nan 0.000 0.405 383 T N -1.031 113.477 114.554 -0.076 0.000 2.803 383 T HA -0.142 4.213 4.350 0.009 0.000 0.269 383 T C 1.947 176.668 174.700 0.036 0.000 1.052 383 T CA 1.277 63.355 62.100 -0.037 0.000 1.136 383 T CB -1.283 67.549 68.868 -0.059 0.000 0.864 383 T HN 0.480 nan 8.240 nan 0.000 0.467 384 G N 1.098 109.946 108.800 0.080 0.000 2.404 384 G HA2 -0.143 3.823 3.960 0.009 0.000 0.215 384 G HA3 -0.143 3.823 3.960 0.009 0.000 0.215 384 G C 1.722 176.702 174.900 0.133 0.000 1.174 384 G CA 1.254 46.457 45.100 0.171 0.000 0.780 384 G HN 0.514 nan 8.290 nan 0.000 0.537 385 T N 1.421 116.024 114.554 0.082 0.000 2.708 385 T HA -0.025 4.331 4.350 0.009 0.000 0.266 385 T C 2.437 177.178 174.700 0.069 0.000 1.037 385 T CA 0.904 63.061 62.100 0.095 0.000 1.146 385 T CB -0.235 68.687 68.868 0.091 0.000 0.865 385 T HN 0.122 nan 8.240 nan 0.000 0.435 386 L N 0.699 121.894 121.223 -0.048 0.000 2.131 386 L HA -0.086 4.259 4.340 0.009 0.000 0.210 386 L C 2.855 179.736 176.870 0.019 0.000 1.092 386 L CA 0.917 55.665 54.840 -0.153 0.000 0.759 386 L CB -0.578 41.352 42.059 -0.215 0.000 0.903 386 L HN 0.279 nan 8.230 nan 0.000 0.435 387 S N 0.113 115.862 115.700 0.081 0.000 2.355 387 S HA -0.119 4.356 4.470 0.009 0.000 0.222 387 S C 1.994 176.704 174.600 0.184 0.000 1.031 387 S CA 1.070 59.361 58.200 0.153 0.000 0.993 387 S CB -0.112 63.243 63.200 0.258 0.000 0.859 387 S HN 0.254 nan 8.310 nan 0.000 0.453 388 L N 0.558 121.895 121.223 0.190 0.000 1.976 388 L HA 0.017 4.363 4.340 0.009 0.000 0.209 388 L C 1.860 178.870 176.870 0.233 0.000 1.071 388 L CA 1.238 56.194 54.840 0.193 0.000 0.746 388 L CB -0.310 41.856 42.059 0.178 0.000 0.890 388 L HN 0.349 nan 8.230 nan 0.000 0.432 389 M N -0.015 119.762 119.600 0.295 0.000 2.854 389 M HA 0.003 4.489 4.480 0.009 0.000 0.251 389 M C 1.234 177.805 176.300 0.452 0.000 1.301 389 M CA -0.013 55.554 55.300 0.445 0.000 1.059 389 M CB -0.358 32.600 32.600 0.597 0.000 1.419 389 M HN 0.255 nan 8.290 nan 0.000 0.467 390 N N 1.712 120.570 118.700 0.264 0.000 2.091 390 N HA -0.206 4.540 4.740 0.009 0.000 0.193 390 N C 0.904 176.525 175.510 0.184 0.000 1.021 390 N CA 1.628 54.799 53.050 0.202 0.000 0.862 390 N CB -0.007 38.556 38.487 0.125 0.000 1.018 390 N HN 0.581 nan 8.380 nan 0.000 0.429 391 N N -1.162 117.571 118.700 0.056 0.000 2.512 391 N HA -0.088 4.657 4.740 0.009 0.000 0.183 391 N C 0.390 175.778 175.510 -0.204 0.000 1.073 391 N CA 0.371 53.353 53.050 -0.113 0.000 0.911 391 N CB 0.068 38.404 38.487 -0.252 0.000 0.964 391 N HN 0.328 nan 8.380 nan 0.000 0.447 392 Y N -0.886 119.459 120.300 0.075 0.000 2.457 392 Y HA 0.258 4.814 4.550 0.009 0.000 0.263 392 Y C -0.343 175.381 175.900 -0.295 0.000 1.164 392 Y CA -0.060 57.956 58.100 -0.141 0.000 1.274 392 Y CB 0.106 38.441 38.460 -0.209 0.000 1.097 392 Y HN -0.114 nan 8.280 nan 0.000 0.523 393 F N -0.685 119.330 119.950 0.108 0.000 2.561 393 F HA 0.426 4.959 4.527 0.009 0.000 0.321 393 F C 0.660 176.478 175.800 0.031 0.000 1.065 393 F CA -1.550 56.496 58.000 0.078 0.000 0.934 393 F CB 1.159 40.228 39.000 0.114 0.000 1.215 393 F HN -0.301 nan 8.300 nan 0.000 0.471 394 T N -2.541 112.138 114.554 0.210 0.000 2.849 394 T HA 0.163 4.518 4.350 0.009 0.000 0.284 394 T C 0.515 175.267 174.700 0.087 0.000 1.004 394 T CA -0.672 61.497 62.100 0.114 0.000 1.021 394 T CB 0.928 69.846 68.868 0.083 0.000 1.013 394 T HN 0.480 nan 8.240 nan 0.000 0.527 395 D N 0.600 121.022 120.400 0.036 0.000 2.312 395 D HA 0.064 4.709 4.640 0.009 0.000 0.211 395 D C 2.149 178.426 176.300 -0.039 0.000 0.964 395 D CA 1.058 55.056 54.000 -0.004 0.000 0.877 395 D CB -0.402 40.388 40.800 -0.017 0.000 0.924 395 D HN 0.726 nan 8.370 nan 0.000 0.515 396 A N 1.365 124.165 122.820 -0.033 0.000 1.872 396 A HA -0.164 4.162 4.320 0.009 0.000 0.214 396 A C 2.018 179.519 177.584 -0.137 0.000 1.187 396 A CA 1.263 53.260 52.037 -0.066 0.000 0.614 396 A CB -0.390 18.586 19.000 -0.040 0.000 0.826 396 A HN 0.334 nan 8.150 nan 0.000 0.442 397 E N -0.100 120.014 120.200 -0.143 0.000 2.152 397 E HA -0.082 4.274 4.350 0.009 0.000 0.192 397 E C 1.800 178.090 176.600 -0.517 0.000 0.983 397 E CA 1.008 57.178 56.400 -0.384 0.000 0.818 397 E CB -0.428 29.159 29.700 -0.189 0.000 0.758 397 E HN 0.631 nan 8.360 nan 0.000 0.467 398 I N 1.208 121.657 120.570 -0.202 0.000 2.394 398 I HA -0.194 3.981 4.170 0.009 0.000 0.251 398 I C 2.681 178.705 176.117 -0.154 0.000 1.136 398 I CA 0.881 62.087 61.300 -0.156 0.000 1.425 398 I CB -0.166 37.782 38.000 -0.087 0.000 1.079 398 I HN 0.034 nan 8.210 nan 0.000 0.425 399 K N 0.559 120.862 120.400 -0.161 0.000 2.062 399 K HA -0.113 4.213 4.320 0.009 0.000 0.205 399 K C 2.084 178.596 176.600 -0.146 0.000 1.051 399 K CA 1.593 57.805 56.287 -0.125 0.000 0.941 399 K CB -0.269 32.167 32.500 -0.107 0.000 0.719 399 K HN 0.212 nan 8.250 nan 0.000 0.440 400 T N 0.795 115.190 114.554 -0.266 0.000 2.652 400 T HA -0.165 4.191 4.350 0.009 0.000 0.267 400 T C 1.618 176.139 174.700 -0.299 0.000 1.039 400 T CA 1.559 63.463 62.100 -0.326 0.000 1.153 400 T CB -0.345 68.202 68.868 -0.535 0.000 0.863 400 T HN 0.186 nan 8.240 nan 0.000 0.428 401 Y N 1.758 121.924 120.300 -0.224 0.000 2.571 401 Y HA 0.026 4.581 4.550 0.009 0.000 0.294 401 Y C 2.774 178.669 175.900 -0.009 0.000 1.141 401 Y CA 0.516 58.517 58.100 -0.165 0.000 1.308 401 Y CB -1.365 37.024 38.460 -0.119 0.000 1.002 401 Y HN 0.375 nan 8.280 nan 0.000 0.551 402 T N -4.463 110.149 114.554 0.096 0.000 3.037 402 T HA 0.012 4.368 4.350 0.009 0.000 0.251 402 T C 1.300 176.064 174.700 0.107 0.000 1.079 402 T CA 0.416 62.572 62.100 0.095 0.000 1.067 402 T CB -0.021 68.859 68.868 0.019 0.000 0.948 402 T HN 0.019 nan 8.240 nan 0.000 0.496 403 D N 2.820 123.266 120.400 0.075 0.000 2.116 403 D HA -0.069 4.576 4.640 0.009 0.000 0.193 403 D C -0.500 175.863 176.300 0.105 0.000 0.998 403 D CA 1.179 55.217 54.000 0.064 0.000 0.836 403 D CB -1.280 39.543 40.800 0.039 0.000 0.951 403 D HN 0.346 nan 8.370 nan 0.000 0.449 404 P HA -0.110 nan 4.420 nan 0.000 0.218 404 P C 1.863 179.345 177.300 0.304 0.000 1.148 404 P CA 0.932 64.103 63.100 0.119 0.000 0.822 404 P CB -0.084 31.622 31.700 0.009 0.000 0.784 405 I N -0.168 120.619 120.570 0.362 0.000 2.315 405 I HA -0.176 4.000 4.170 0.009 0.000 0.248 405 I C 2.430 178.681 176.117 0.222 0.000 1.117 405 I CA 1.326 62.841 61.300 0.358 0.000 1.404 405 I CB -0.661 37.482 38.000 0.240 0.000 1.071 405 I HN -0.109 nan 8.210 nan 0.000 0.419 406 E N -0.039 120.243 120.200 0.137 0.000 2.204 406 E HA -0.243 4.112 4.350 0.009 0.000 0.194 406 E C 1.931 178.553 176.600 0.036 0.000 0.989 406 E CA 1.176 57.614 56.400 0.065 0.000 0.824 406 E CB -0.345 29.376 29.700 0.034 0.000 0.756 406 E HN 0.624 nan 8.360 nan 0.000 0.477 407 H N -0.751 118.266 119.070 -0.087 0.000 2.372 407 H HA -0.029 4.532 4.556 0.009 0.000 0.301 407 H C 1.562 176.716 175.328 -0.291 0.000 1.065 407 H CA 1.467 57.359 56.048 -0.260 0.000 1.364 407 H CB -0.171 29.317 29.762 -0.457 0.000 1.406 407 H HN 0.016 nan 8.280 nan 0.000 0.521 408 F N -0.187 119.742 119.950 -0.034 0.000 2.335 408 F HA 0.149 4.681 4.527 0.009 0.000 0.296 408 F C 0.706 176.523 175.800 0.029 0.000 1.091 408 F CA 0.401 58.385 58.000 -0.027 0.000 1.399 408 F CB 0.573 39.685 39.000 0.187 0.000 1.067 408 F HN -0.013 nan 8.300 nan 0.000 0.520 409 V N 1.686 121.731 119.914 0.219 0.000 2.320 409 V HA 0.199 4.325 4.120 0.009 0.000 0.257 409 V C -1.863 174.258 176.094 0.044 0.000 0.996 409 V CA -0.952 61.435 62.300 0.146 0.000 0.928 409 V CB 0.631 32.575 31.823 0.202 0.000 1.169 409 V HN -0.069 nan 8.190 nan 0.000 0.475 410 P HA 0.055 nan 4.420 nan 0.000 0.227 410 P C 0.198 177.473 177.300 -0.042 0.000 1.161 410 P CA 0.849 63.926 63.100 -0.037 0.000 0.788 410 P CB 0.718 32.376 31.700 -0.070 0.000 0.822 411 D N -0.159 120.216 120.400 -0.042 0.000 2.441 411 D HA 0.380 5.025 4.640 0.009 0.000 0.231 411 D C 0.995 177.240 176.300 -0.092 0.000 1.073 411 D CA -0.700 53.278 54.000 -0.037 0.000 0.850 411 D CB 1.313 42.127 40.800 0.023 0.000 1.062 411 D HN -0.151 nan 8.370 nan 0.000 0.524 412 A N 3.895 126.652 122.820 -0.106 0.000 2.186 412 A HA -0.140 4.185 4.320 0.009 0.000 0.219 412 A C 1.501 178.942 177.584 -0.238 0.000 1.159 412 A CA 1.173 53.114 52.037 -0.160 0.000 0.680 412 A CB -0.109 18.826 19.000 -0.107 0.000 0.787 412 A HN 0.663 nan 8.150 nan 0.000 0.467 413 E N -2.278 117.790 120.200 -0.219 0.000 2.415 413 E HA 0.117 4.473 4.350 0.009 0.000 0.197 413 E C -0.715 175.482 176.600 -0.671 0.000 1.007 413 E CA 0.186 56.355 56.400 -0.384 0.000 0.890 413 E CB 0.219 29.718 29.700 -0.335 0.000 0.891 413 E HN 0.739 nan 8.360 nan 0.000 0.496 414 Y N -0.830 119.247 120.300 -0.373 0.000 2.576 414 Y HA 0.412 4.968 4.550 0.010 0.000 0.346 414 Y C -0.499 175.030 175.900 -0.617 0.000 1.018 414 Y CA -1.160 56.667 58.100 -0.454 0.000 1.050 414 Y CB 1.284 39.577 38.460 -0.279 0.000 1.280 414 Y HN -0.223 nan 8.280 nan 0.000 0.474 415 F N 1.204 120.849 119.950 -0.508 0.000 2.508 415 F HA 0.564 5.096 4.527 0.009 0.000 0.325 415 F C 0.199 175.674 175.800 -0.543 0.000 1.090 415 F CA -1.551 56.090 58.000 -0.599 0.000 0.945 415 F CB 1.705 40.057 39.000 -1.080 0.000 1.156 415 F HN 0.487 nan 8.300 nan 0.000 0.463 416 R N 1.080 121.578 120.500 -0.003 0.000 3.654 416 R HA -0.181 4.164 4.340 0.009 0.000 0.302 416 R C 0.908 177.193 176.300 -0.025 0.000 1.166 416 R CA 0.206 56.301 56.100 -0.008 0.000 0.810 416 R CB -1.193 29.038 30.300 -0.115 0.000 1.323 416 R HN 0.574 nan 8.270 nan 0.000 0.478 417 K N 0.784 121.167 120.400 -0.028 0.000 2.442 417 K HA -0.071 4.254 4.320 0.009 0.000 0.198 417 K C 1.810 178.364 176.600 -0.076 0.000 1.042 417 K CA 1.856 58.093 56.287 -0.083 0.000 0.958 417 K CB 0.095 32.542 32.500 -0.088 0.000 0.766 417 K HN 0.539 nan 8.250 nan 0.000 0.474 418 T N -2.121 112.413 114.554 -0.033 0.000 3.060 418 T HA 0.134 4.490 4.350 0.009 0.000 0.249 418 T C 0.746 175.441 174.700 -0.008 0.000 1.079 418 T CA -0.258 61.812 62.100 -0.049 0.000 1.013 418 T CB 0.198 69.031 68.868 -0.058 0.000 0.975 418 T HN -0.198 nan 8.240 nan 0.000 0.518 419 L N 1.331 122.558 121.223 0.006 0.000 2.491 419 L HA 0.550 4.896 4.340 0.009 0.000 0.264 419 L C 1.458 178.322 176.870 -0.010 0.000 1.053 419 L CA -0.844 54.004 54.840 0.014 0.000 0.858 419 L CB 1.292 43.377 42.059 0.042 0.000 1.519 419 L HN 0.087 nan 8.230 nan 0.000 0.508 420 V N -1.928 117.985 119.914 -0.001 0.000 3.633 420 V HA 0.198 4.323 4.120 0.009 0.000 0.283 420 V C 0.258 176.348 176.094 -0.007 0.000 1.305 420 V CA 0.716 63.010 62.300 -0.010 0.000 1.153 420 V CB -1.395 30.427 31.823 -0.002 0.000 0.950 420 V HN 0.882 nan 8.190 nan 0.000 0.432 421 N N 0.629 119.330 118.700 0.001 0.000 2.610 421 N HA 0.352 5.098 4.740 0.009 0.000 0.307 421 N C -2.996 172.550 175.510 0.060 0.000 1.813 421 N CA -1.382 51.682 53.050 0.022 0.000 0.901 421 N CB 0.781 39.281 38.487 0.022 0.000 1.354 421 N HN 0.309 nan 8.380 nan 0.000 0.491 422 P HA -0.006 nan 4.420 nan 0.000 0.264 422 P C -0.841 176.554 177.300 0.157 0.000 1.193 422 P CA 0.305 63.398 63.100 -0.012 0.000 0.763 422 P CB 0.180 31.784 31.700 -0.160 0.000 0.810 423 F N 0.116 120.130 119.950 0.105 0.000 2.551 423 F HA 0.573 5.105 4.527 0.009 0.000 0.316 423 F C -0.063 175.858 175.800 0.202 0.000 1.089 423 F CA -1.787 56.304 58.000 0.152 0.000 0.915 423 F CB 1.380 40.392 39.000 0.020 0.000 1.186 423 F HN -0.006 nan 8.300 nan 0.000 0.456 424 K N 2.254 122.768 120.400 0.189 0.000 2.448 424 K HA 0.371 4.697 4.320 0.009 0.000 0.278 424 K C -0.153 176.366 176.600 -0.134 0.000 1.009 424 K CA 0.099 56.195 56.287 -0.319 0.000 0.995 424 K CB 0.902 33.227 32.500 -0.292 0.000 0.917 424 K HN 0.953 nan 8.250 nan 0.000 0.481 425 A N 5.843 128.451 122.820 -0.354 0.000 2.396 425 A HA 0.378 4.703 4.320 0.009 0.000 0.279 425 A C -0.373 177.182 177.584 -0.047 0.000 1.165 425 A CA -0.176 51.752 52.037 -0.182 0.000 0.824 425 A CB -0.043 18.635 19.000 -0.537 0.000 1.100 425 A HN 0.655 nan 8.150 nan 0.000 0.516 426 L N 2.276 123.565 121.223 0.110 0.000 2.424 426 L HA 0.666 5.012 4.340 0.009 0.000 0.258 426 L C 1.109 178.045 176.870 0.109 0.000 0.995 426 L CA -0.190 54.688 54.840 0.064 0.000 0.821 426 L CB 2.004 44.086 42.059 0.039 0.000 1.383 426 L HN 1.127 nan 8.230 nan 0.000 0.410 427 G N 1.410 110.246 108.800 0.061 0.000 2.596 427 G HA2 -0.338 3.627 3.960 0.009 0.000 0.304 427 G HA3 -0.338 3.627 3.960 0.009 0.000 0.304 427 G C 0.869 175.840 174.900 0.118 0.000 1.189 427 G CA 0.656 45.801 45.100 0.075 0.000 0.986 427 G HN 1.040 nan 8.290 nan 0.000 0.548 428 G N 0.148 109.042 108.800 0.157 0.000 2.418 428 G HA2 -0.179 3.786 3.960 0.009 0.000 0.217 428 G HA3 -0.179 3.786 3.960 0.009 0.000 0.217 428 G C 1.568 176.619 174.900 0.251 0.000 1.158 428 G CA 1.783 46.994 45.100 0.185 0.000 0.771 428 G HN 0.683 nan 8.290 nan 0.000 0.545 429 N N 0.279 119.181 118.700 0.335 0.000 2.166 429 N HA -0.077 4.669 4.740 0.009 0.000 0.186 429 N C 1.949 177.740 175.510 0.468 0.000 1.019 429 N CA 0.707 54.069 53.050 0.520 0.000 0.856 429 N CB -0.493 38.435 38.487 0.734 0.000 0.993 429 N HN 0.268 nan 8.380 nan 0.000 0.426 430 L N 0.766 122.141 121.223 0.252 0.000 2.141 430 L HA 0.005 4.351 4.340 0.009 0.000 0.209 430 L C 1.877 178.811 176.870 0.106 0.000 1.094 430 L CA 1.036 55.937 54.840 0.102 0.000 0.763 430 L CB -0.482 41.590 42.059 0.023 0.000 0.908 430 L HN -0.108 nan 8.230 nan 0.000 0.437 431 V N -0.307 119.689 119.914 0.136 0.000 2.237 431 V HA -0.277 3.849 4.120 0.009 0.000 0.245 431 V C 2.314 178.496 176.094 0.146 0.000 1.046 431 V CA 2.022 64.398 62.300 0.128 0.000 1.007 431 V CB -0.698 31.204 31.823 0.132 0.000 0.638 431 V HN 0.407 nan 8.190 nan 0.000 0.445 432 D N -0.555 119.960 120.400 0.193 0.000 2.158 432 D HA -0.234 4.412 4.640 0.009 0.000 0.197 432 D C 2.023 178.439 176.300 0.195 0.000 0.995 432 D CA 1.810 55.924 54.000 0.191 0.000 0.846 432 D CB -0.154 40.776 40.800 0.215 0.000 0.941 432 D HN 0.412 nan 8.370 nan 0.000 0.456 433 M N 0.292 120.047 119.600 0.258 0.000 2.175 433 M HA -0.002 4.484 4.480 0.009 0.000 0.264 433 M C 1.941 178.264 176.300 0.039 0.000 1.063 433 M CA 1.814 57.210 55.300 0.160 0.000 1.119 433 M CB -0.388 32.179 32.600 -0.054 0.000 1.377 433 M HN -0.053 nan 8.290 nan 0.000 0.415 434 G N -0.614 108.207 108.800 0.035 0.000 2.408 434 G HA2 -0.211 3.754 3.960 0.009 0.000 0.217 434 G HA3 -0.211 3.754 3.960 0.009 0.000 0.217 434 G C 1.681 176.557 174.900 -0.039 0.000 1.150 434 G CA 0.809 45.910 45.100 0.002 0.000 0.776 434 G HN 0.423 nan 8.290 nan 0.000 0.542 435 R N -0.372 120.124 120.500 -0.007 0.000 2.081 435 R HA 0.019 4.365 4.340 0.009 0.000 0.235 435 R C 2.698 178.920 176.300 -0.130 0.000 1.131 435 R CA 1.154 57.215 56.100 -0.065 0.000 0.960 435 R CB -0.473 29.878 30.300 0.084 0.000 0.856 435 R HN 0.264 nan 8.270 nan 0.000 0.436 436 V N 0.916 120.801 119.914 -0.049 0.000 2.255 436 V HA -0.205 3.921 4.120 0.009 0.000 0.243 436 V C 2.015 178.064 176.094 -0.076 0.000 1.038 436 V CA 1.659 63.927 62.300 -0.054 0.000 1.008 436 V CB -0.303 31.523 31.823 0.004 0.000 0.645 436 V HN 0.248 nan 8.190 nan 0.000 0.449 437 K N -0.045 120.323 120.400 -0.054 0.000 2.097 437 K HA 0.022 4.348 4.320 0.009 0.000 0.205 437 K C 2.009 178.557 176.600 -0.086 0.000 1.050 437 K CA 1.296 57.548 56.287 -0.059 0.000 0.938 437 K CB -0.508 31.962 32.500 -0.049 0.000 0.718 437 K HN 0.409 nan 8.250 nan 0.000 0.442 438 I N 1.151 121.652 120.570 -0.115 0.000 2.202 438 I HA -0.249 3.927 4.170 0.009 0.000 0.242 438 I C 1.986 178.001 176.117 -0.170 0.000 1.091 438 I CA 0.845 62.072 61.300 -0.122 0.000 1.368 438 I CB -0.237 37.679 38.000 -0.140 0.000 1.058 438 I HN -0.023 nan 8.210 nan 0.000 0.410 439 I N 0.442 120.834 120.570 -0.298 0.000 2.286 439 I HA -0.253 3.922 4.170 0.009 0.000 0.248 439 I C 2.484 178.503 176.117 -0.163 0.000 1.115 439 I CA 1.431 62.537 61.300 -0.324 0.000 1.392 439 I CB -1.454 36.258 38.000 -0.480 0.000 1.065 439 I HN 0.383 nan 8.210 nan 0.000 0.418 440 E N 1.055 121.179 120.200 -0.127 0.000 2.077 440 E HA -0.175 4.181 4.350 0.009 0.000 0.193 440 E C 2.283 178.837 176.600 -0.078 0.000 0.989 440 E CA 1.392 57.744 56.400 -0.081 0.000 0.800 440 E CB -0.148 29.520 29.700 -0.052 0.000 0.746 440 E HN 0.492 nan 8.360 nan 0.000 0.452 441 G N 0.714 109.473 108.800 -0.068 0.000 2.484 441 G HA2 -0.147 3.819 3.960 0.009 0.000 0.218 441 G HA3 -0.147 3.819 3.960 0.009 0.000 0.218 441 G C 1.574 176.437 174.900 -0.062 0.000 1.130 441 G CA 0.102 45.167 45.100 -0.058 0.000 0.784 441 G HN 0.159 nan 8.290 nan 0.000 0.543 442 L N -0.344 120.872 121.223 -0.012 0.000 2.131 442 L HA 0.151 4.497 4.340 0.009 0.000 0.206 442 L C 2.773 179.610 176.870 -0.055 0.000 1.087 442 L CA 0.306 55.193 54.840 0.078 0.000 0.767 442 L CB -0.241 41.871 42.059 0.088 0.000 0.917 442 L HN 0.172 nan 8.230 nan 0.000 0.441 443 L N -0.371 120.805 121.223 -0.078 0.000 2.056 443 L HA -0.142 4.203 4.340 0.009 0.000 0.207 443 L C 2.270 179.055 176.870 -0.141 0.000 1.078 443 L CA 1.261 56.051 54.840 -0.084 0.000 0.749 443 L CB -0.266 41.751 42.059 -0.071 0.000 0.901 443 L HN 0.209 nan 8.230 nan 0.000 0.433 444 R N 0.061 120.461 120.500 -0.168 0.000 2.320 444 R HA 0.066 4.412 4.340 0.009 0.000 0.211 444 R C 0.045 176.149 176.300 -0.327 0.000 0.931 444 R CA -0.107 55.879 56.100 -0.191 0.000 1.071 444 R CB 0.022 30.242 30.300 -0.132 0.000 1.025 444 R HN 0.126 nan 8.270 nan 0.000 0.495 445 K N 1.608 121.666 120.400 -0.571 0.000 3.035 445 K HA -0.187 4.138 4.320 0.009 0.000 0.262 445 K C -0.678 175.442 176.600 -0.800 0.000 1.024 445 K CA 0.996 56.511 56.287 -1.287 0.000 0.748 445 K CB -1.157 30.754 32.500 -0.982 0.000 1.247 445 K HN 0.342 nan 8.250 nan 0.000 0.482 446 D N 0.317 120.492 120.400 -0.376 0.000 2.441 446 D HA 0.177 4.823 4.640 0.009 0.000 0.231 446 D C 0.283 176.607 176.300 0.039 0.000 1.073 446 D CA -0.419 53.511 54.000 -0.116 0.000 0.850 446 D CB 0.605 41.347 40.800 -0.097 0.000 1.062 446 D HN 0.122 nan 8.370 nan 0.000 0.524 447 N N 1.308 120.103 118.700 0.158 0.000 2.459 447 N HA -0.083 4.662 4.740 0.009 0.000 0.181 447 N C 1.344 176.863 175.510 0.016 0.000 1.046 447 N CA 0.907 54.078 53.050 0.202 0.000 0.904 447 N CB 0.446 39.114 38.487 0.302 0.000 0.964 447 N HN 0.329 nan 8.380 nan 0.000 0.444 448 T N 0.175 114.721 114.554 -0.013 0.000 2.995 448 T HA 0.052 4.408 4.350 0.009 0.000 0.269 448 T C 1.728 176.365 174.700 -0.105 0.000 1.091 448 T CA 0.561 62.617 62.100 -0.074 0.000 1.128 448 T CB 0.076 68.917 68.868 -0.046 0.000 0.891 448 T HN 0.228 nan 8.240 nan 0.000 0.492 449 I N 0.528 121.054 120.570 -0.075 0.000 2.277 449 I HA -0.033 4.142 4.170 0.009 0.000 0.243 449 I C 2.160 178.219 176.117 -0.095 0.000 1.094 449 I CA 1.130 62.385 61.300 -0.076 0.000 1.393 449 I CB -0.299 37.668 38.000 -0.055 0.000 1.078 449 I HN 0.194 nan 8.210 nan 0.000 0.417 450 I N 1.232 121.756 120.570 -0.078 0.000 2.226 450 I HA -0.295 3.881 4.170 0.009 0.000 0.245 450 I C 2.639 178.587 176.117 -0.282 0.000 1.100 450 I CA 1.758 63.010 61.300 -0.079 0.000 1.374 450 I CB -0.533 37.509 38.000 0.069 0.000 1.057 450 I HN 0.321 nan 8.210 nan 0.000 0.413 451 E N 2.030 121.875 120.200 -0.592 0.000 2.051 451 E HA -0.277 4.079 4.350 0.009 0.000 0.192 451 E C 2.076 178.451 176.600 -0.374 0.000 0.991 451 E CA 1.658 57.472 56.400 -0.976 0.000 0.799 451 E CB -0.195 28.947 29.700 -0.930 0.000 0.748 451 E HN 0.263 nan 8.360 nan 0.000 0.449 452 K N -0.364 119.895 120.400 -0.234 0.000 2.148 452 K HA -0.015 4.311 4.320 0.009 0.000 0.204 452 K C 2.139 178.700 176.600 -0.064 0.000 1.050 452 K CA 1.776 57.983 56.287 -0.133 0.000 0.942 452 K CB -0.046 32.379 32.500 -0.124 0.000 0.724 452 K HN 0.204 nan 8.250 nan 0.000 0.446 453 T N -0.241 114.265 114.554 -0.079 0.000 2.896 453 T HA -0.048 4.308 4.350 0.009 0.000 0.263 453 T C 1.908 176.609 174.700 0.002 0.000 1.050 453 T CA 1.167 63.240 62.100 -0.043 0.000 1.140 453 T CB -0.114 68.724 68.868 -0.050 0.000 0.877 453 T HN 0.084 nan 8.240 nan 0.000 0.457 454 S N 0.768 116.470 115.700 0.003 0.000 2.351 454 S HA -0.183 4.293 4.470 0.009 0.000 0.220 454 S C 1.848 176.509 174.600 0.103 0.000 1.035 454 S CA 1.685 59.931 58.200 0.078 0.000 1.031 454 S CB -0.518 62.753 63.200 0.118 0.000 0.928 454 S HN 0.742 nan 8.310 nan 0.000 0.433 455 H N 0.912 119.980 119.070 -0.004 0.000 2.319 455 H HA -0.090 4.471 4.556 0.010 0.000 0.297 455 H C 2.394 177.723 175.328 0.002 0.000 1.097 455 H CA 2.003 58.058 56.048 0.012 0.000 1.285 455 H CB -0.386 29.363 29.762 -0.021 0.000 1.368 455 H HN 0.336 nan 8.280 nan 0.000 0.495 456 S N -0.603 115.198 115.700 0.169 0.000 2.368 456 S HA -0.112 4.363 4.470 0.009 0.000 0.224 456 S C 2.111 176.695 174.600 -0.027 0.000 1.029 456 S CA 1.035 59.273 58.200 0.062 0.000 0.988 456 S CB -0.433 62.760 63.200 -0.011 0.000 0.838 456 S HN 0.380 nan 8.310 nan 0.000 0.462 457 L N 1.878 123.100 121.223 -0.002 0.000 2.187 457 L HA 0.042 4.388 4.340 0.009 0.000 0.213 457 L C 2.139 178.992 176.870 -0.028 0.000 1.100 457 L CA 1.629 56.465 54.840 -0.007 0.000 0.765 457 L CB -0.941 41.152 42.059 0.057 0.000 0.904 457 L HN 0.202 nan 8.230 nan 0.000 0.437 458 K N -0.283 120.142 120.400 0.040 0.000 2.360 458 K HA -0.076 4.250 4.320 0.009 0.000 0.201 458 K C 1.466 178.083 176.600 0.028 0.000 1.046 458 K CA 0.459 56.838 56.287 0.154 0.000 0.945 458 K CB -0.644 31.896 32.500 0.067 0.000 0.750 458 K HN 0.403 nan 8.250 nan 0.000 0.464 459 N N 0.857 119.515 118.700 -0.069 0.000 2.609 459 N HA -0.071 4.675 4.740 0.009 0.000 0.190 459 N C 1.424 176.883 175.510 -0.085 0.000 1.157 459 N CA 0.402 53.414 53.050 -0.063 0.000 0.918 459 N CB 0.021 38.462 38.487 -0.077 0.000 0.978 459 N HN 0.239 nan 8.380 nan 0.000 0.448 460 L N -0.745 120.333 121.223 -0.241 0.000 2.249 460 L HA 0.106 4.451 4.340 0.009 0.000 0.207 460 L C -0.077 176.704 176.870 -0.148 0.000 1.090 460 L CA 0.343 55.002 54.840 -0.300 0.000 0.802 460 L CB -0.008 41.693 42.059 -0.597 0.000 0.947 460 L HN -0.041 nan 8.230 nan 0.000 0.453 461 F N 1.065 121.177 119.950 0.270 0.000 2.605 461 F HA 0.231 4.763 4.527 0.009 0.000 0.352 461 F C 0.632 176.546 175.800 0.190 0.000 1.236 461 F CA -0.487 57.659 58.000 0.242 0.000 1.267 461 F CB -0.638 38.413 39.000 0.085 0.000 1.632 461 F HN -0.096 nan 8.300 nan 0.000 0.639 462 T N -2.749 112.027 114.554 0.370 0.000 2.821 462 T HA 0.543 4.899 4.350 0.009 0.000 0.306 462 T C -0.493 174.365 174.700 0.263 0.000 1.313 462 T CA -0.986 61.258 62.100 0.241 0.000 1.012 462 T CB 1.761 70.708 68.868 0.131 0.000 1.298 462 T HN -0.011 nan 8.240 nan 0.000 0.502 463 T N 1.901 116.553 114.554 0.162 0.000 2.758 463 T HA 0.699 5.055 4.350 0.009 0.000 0.285 463 T C 0.431 175.099 174.700 -0.053 0.000 0.981 463 T CA -0.483 61.688 62.100 0.118 0.000 0.965 463 T CB 0.867 69.808 68.868 0.122 0.000 0.927 463 T HN 1.040 nan 8.240 nan 0.000 0.448 464 A N 2.635 125.308 122.820 -0.245 0.000 2.425 464 A HA 0.509 4.834 4.320 0.009 0.000 0.249 464 A C 1.422 178.562 177.584 -0.740 0.000 1.084 464 A CA -0.234 51.483 52.037 -0.534 0.000 0.781 464 A CB 0.141 18.659 19.000 -0.803 0.000 1.019 464 A HN 0.942 nan 8.150 nan 0.000 0.490 465 T N -1.428 112.904 114.554 -0.370 0.000 2.959 465 T HA 0.337 4.693 4.350 0.009 0.000 0.254 465 T C 0.268 175.061 174.700 0.154 0.000 1.003 465 T CA 0.514 62.576 62.100 -0.063 0.000 0.950 465 T CB -0.219 68.661 68.868 0.020 0.000 1.090 465 T HN 0.831 nan 8.240 nan 0.000 0.503 466 K N 0.218 120.641 120.400 0.038 0.000 2.568 466 K HA 0.615 4.941 4.320 0.009 0.000 0.273 466 K C -0.164 176.485 176.600 0.082 0.000 0.951 466 K CA 0.023 56.401 56.287 0.151 0.000 0.854 466 K CB 1.440 33.991 32.500 0.085 0.000 1.424 466 K HN 0.488 nan 8.250 nan 0.000 0.427 467 A N 1.152 124.039 122.820 0.111 0.000 5.436 467 A HA -0.202 4.124 4.320 0.009 0.000 0.274 467 A C -0.988 176.604 177.584 0.013 0.000 2.149 467 A CA 1.042 53.100 52.037 0.035 0.000 0.715 467 A CB -1.868 17.126 19.000 -0.010 0.000 1.126 467 A HN 0.766 nan 8.150 nan 0.000 0.348 468 E N 0.083 120.230 120.200 -0.089 0.000 2.222 468 E HA 0.623 4.979 4.350 0.009 0.000 0.272 468 E C 0.368 176.777 176.600 -0.318 0.000 0.982 468 E CA 0.512 56.781 56.400 -0.217 0.000 0.842 468 E CB 1.432 31.004 29.700 -0.214 0.000 1.144 468 E HN 2.307 nan 8.360 nan 0.000 0.397 469 G N 0.419 108.865 108.800 -0.590 0.000 2.334 469 G HA2 -0.026 3.939 3.960 0.009 0.000 0.315 469 G HA3 -0.026 3.939 3.960 0.009 0.000 0.315 469 G C -1.597 172.965 174.900 -0.564 0.000 1.284 469 G CA -1.198 43.576 45.100 -0.543 0.000 0.985 469 G HN 0.233 nan 8.290 nan 0.000 0.504 470 F N 1.202 121.086 119.950 -0.111 0.000 2.404 470 F HA 0.640 5.174 4.527 0.011 0.000 0.358 470 F C 0.605 176.409 175.800 0.007 0.000 1.120 470 F CA -0.412 57.605 58.000 0.028 0.000 1.144 470 F CB 0.585 39.563 39.000 -0.037 0.000 1.133 470 F HN 0.399 nan 8.300 nan 0.000 0.495 471 Y N 1.198 121.636 120.300 0.229 0.000 2.295 471 Y HA 0.386 4.941 4.550 0.009 0.000 0.331 471 Y C 1.448 177.477 175.900 0.214 0.000 1.311 471 Y CA -0.011 58.194 58.100 0.174 0.000 1.430 471 Y CB 0.643 39.170 38.460 0.111 0.000 1.339 471 Y HN 0.642 nan 8.280 nan 0.000 0.552 472 A N 0.450 123.461 122.820 0.319 0.000 1.940 472 A HA -0.205 4.120 4.320 0.009 0.000 0.219 472 A C 1.500 179.223 177.584 0.232 0.000 1.176 472 A CA 1.964 54.141 52.037 0.234 0.000 0.631 472 A CB -0.835 18.274 19.000 0.182 0.000 0.814 472 A HN 0.824 nan 8.150 nan 0.000 0.446 473 D N -2.017 118.540 120.400 0.261 0.000 2.324 473 D HA 0.283 4.929 4.640 0.009 0.000 0.235 473 D C 1.109 177.614 176.300 0.342 0.000 1.095 473 D CA 0.880 55.013 54.000 0.222 0.000 0.871 473 D CB -0.618 40.279 40.800 0.162 0.000 0.906 473 D HN 0.794 nan 8.370 nan 0.000 0.522 474 G N -0.564 108.470 108.800 0.389 0.000 2.199 474 G HA2 -0.280 3.686 3.960 0.009 0.000 0.254 474 G HA3 -0.280 3.686 3.960 0.009 0.000 0.254 474 G C 0.438 175.559 174.900 0.369 0.000 0.982 474 G CA 0.198 45.567 45.100 0.449 0.000 0.632 474 G HN 0.445 nan 8.290 nan 0.000 0.529 475 S N -0.286 115.622 115.700 0.347 0.000 2.572 475 S HA 0.503 4.978 4.470 0.009 0.000 0.279 475 S C -0.442 174.260 174.600 0.171 0.000 1.341 475 S CA 0.060 58.294 58.200 0.057 0.000 1.043 475 S CB 0.887 64.093 63.200 0.010 0.000 0.887 475 S HN 0.665 nan 8.310 nan 0.000 0.516 476 Y N 3.619 123.836 120.300 -0.138 0.000 2.338 476 Y HA 0.564 5.120 4.550 0.010 0.000 0.333 476 Y C -0.949 174.861 175.900 -0.150 0.000 0.968 476 Y CA -0.839 57.129 58.100 -0.220 0.000 1.123 476 Y CB 0.540 38.702 38.460 -0.496 0.000 1.165 476 Y HN 0.419 nan 8.280 nan 0.000 0.452 477 I N 5.554 125.682 120.570 -0.737 0.000 2.603 477 I HA 0.407 4.583 4.170 0.009 0.000 0.300 477 I C -0.776 174.970 176.117 -0.620 0.000 1.017 477 I CA -0.522 60.512 61.300 -0.442 0.000 1.098 477 I CB 1.993 39.900 38.000 -0.155 0.000 1.279 477 I HN 0.691 nan 8.210 nan 0.000 0.437 478 D N 2.808 123.062 120.400 -0.243 0.000 2.583 478 D HA 0.302 4.948 4.640 0.009 0.000 0.248 478 D C -0.469 175.789 176.300 -0.070 0.000 1.209 478 D CA -0.198 53.659 54.000 -0.239 0.000 0.848 478 D CB 1.722 42.309 40.800 -0.355 0.000 1.431 478 D HN 0.696 nan 8.370 nan 0.000 0.436 479 H N 0.894 119.809 119.070 -0.258 0.000 2.826 479 H HA -0.218 4.344 4.556 0.010 0.000 0.306 479 H C 0.426 175.690 175.328 -0.107 0.000 1.235 479 H CA 0.557 56.494 56.048 -0.186 0.000 1.150 479 H CB -1.017 28.667 29.762 -0.130 0.000 1.409 479 H HN 0.613 nan 8.280 nan 0.000 0.420 480 T N -1.270 113.281 114.554 -0.004 0.000 13.229 480 T HA -0.318 4.038 4.350 0.009 0.000 0.418 480 T C 0.766 175.462 174.700 -0.007 0.000 1.449 480 T CA 1.978 64.069 62.100 -0.016 0.000 2.373 480 T CB -1.006 67.850 68.868 -0.021 0.000 2.798 480 T HN 0.710 nan 8.240 nan 0.000 0.615 481 N N 0.702 119.402 118.700 0.001 0.000 2.545 481 N HA 0.442 5.187 4.740 0.009 0.000 0.283 481 N C -1.130 174.365 175.510 -0.025 0.000 1.596 481 N CA -0.241 52.802 53.050 -0.013 0.000 0.862 481 N CB 0.160 38.648 38.487 0.003 0.000 1.422 481 N HN 0.502 nan 8.380 nan 0.000 0.489 482 V N 0.489 120.387 119.914 -0.025 0.000 2.459 482 V HA 0.800 4.926 4.120 0.009 0.000 0.295 482 V C 0.378 176.385 176.094 -0.144 0.000 1.029 482 V CA -1.204 61.043 62.300 -0.089 0.000 0.874 482 V CB 1.479 33.258 31.823 -0.072 0.000 0.985 482 V HN 0.459 nan 8.190 nan 0.000 0.438 483 A N 4.072 126.769 122.820 -0.205 0.000 2.484 483 A HA 0.437 4.763 4.320 0.009 0.000 0.268 483 A C -0.521 176.931 177.584 -0.220 0.000 1.114 483 A CA 0.437 52.367 52.037 -0.179 0.000 0.780 483 A CB -0.490 18.411 19.000 -0.165 0.000 1.061 483 A HN 0.792 nan 8.150 nan 0.000 0.505 484 Y N 2.166 122.473 120.300 0.013 0.000 2.720 484 Y HA 0.145 4.700 4.550 0.009 0.000 0.264 484 Y C 1.615 177.624 175.900 0.182 0.000 0.989 484 Y CA -0.237 57.933 58.100 0.116 0.000 1.100 484 Y CB 0.191 38.749 38.460 0.163 0.000 1.196 484 Y HN 0.729 nan 8.280 nan 0.000 0.631 485 T N -2.282 112.389 114.554 0.195 0.000 2.777 485 T HA -0.105 4.250 4.350 0.009 0.000 0.266 485 T C 2.122 176.893 174.700 0.119 0.000 1.040 485 T CA 1.512 63.618 62.100 0.010 0.000 1.141 485 T CB -0.197 68.563 68.868 -0.181 0.000 0.868 485 T HN 0.563 nan 8.240 nan 0.000 0.444 486 G N 0.071 108.934 108.800 0.104 0.000 2.956 486 G HA2 0.403 4.369 3.960 0.009 0.000 0.207 486 G HA3 0.403 4.369 3.960 0.009 0.000 0.207 486 G C 0.851 175.785 174.900 0.057 0.000 1.162 486 G CA 0.664 45.814 45.100 0.083 0.000 0.796 486 G HN 0.623 nan 8.290 nan 0.000 0.527 487 A N -0.373 122.505 122.820 0.098 0.000 1.780 487 A HA 0.460 4.785 4.320 0.009 0.000 0.178 487 A C 1.534 178.986 177.584 -0.219 0.000 2.054 487 A CA 0.035 52.032 52.037 -0.067 0.000 1.289 487 A CB -0.474 18.534 19.000 0.014 0.000 0.942 487 A HN 0.065 nan 8.150 nan 0.000 0.659 488 Y N 1.478 121.616 120.300 -0.269 0.000 2.274 488 Y HA -0.053 4.503 4.550 0.009 0.000 0.290 488 Y C 2.649 178.391 175.900 -0.264 0.000 1.145 488 Y CA 1.447 59.378 58.100 -0.281 0.000 1.203 488 Y CB -0.417 37.829 38.460 -0.357 0.000 0.984 488 Y HN 0.441 nan 8.280 nan 0.000 0.533 489 G N -0.160 108.507 108.800 -0.221 0.000 2.404 489 G HA2 -0.267 3.699 3.960 0.009 0.000 0.215 489 G HA3 -0.267 3.699 3.960 0.009 0.000 0.215 489 G C 1.522 176.405 174.900 -0.028 0.000 1.174 489 G CA 1.068 45.849 45.100 -0.531 0.000 0.780 489 G HN 0.291 nan 8.290 nan 0.000 0.537 490 N N 0.575 119.283 118.700 0.013 0.000 2.018 490 N HA -0.147 4.599 4.740 0.009 0.000 0.196 490 N C 2.315 177.725 175.510 -0.166 0.000 1.043 490 N CA 1.499 54.465 53.050 -0.140 0.000 0.856 490 N CB -0.844 37.552 38.487 -0.150 0.000 1.042 490 N HN 0.161 nan 8.380 nan 0.000 0.423 491 V N 1.279 121.108 119.914 -0.141 0.000 2.324 491 V HA -0.221 3.905 4.120 0.009 0.000 0.250 491 V C 2.284 178.351 176.094 -0.044 0.000 1.060 491 V CA 1.622 63.858 62.300 -0.107 0.000 1.042 491 V CB -0.767 30.983 31.823 -0.121 0.000 0.650 491 V HN 0.327 nan 8.190 nan 0.000 0.450 492 L N 0.153 121.357 121.223 -0.032 0.000 2.005 492 L HA -0.037 4.309 4.340 0.009 0.000 0.207 492 L C 2.182 179.087 176.870 0.059 0.000 1.072 492 L CA 1.909 56.763 54.840 0.022 0.000 0.744 492 L CB -1.016 41.037 42.059 -0.010 0.000 0.895 492 L HN 0.202 nan 8.230 nan 0.000 0.433 493 I N 0.511 121.112 120.570 0.053 0.000 2.361 493 I HA -0.233 3.943 4.170 0.009 0.000 0.251 493 I C 2.097 178.225 176.117 0.018 0.000 1.133 493 I CA 1.618 62.979 61.300 0.100 0.000 1.413 493 I CB -0.557 37.464 38.000 0.034 0.000 1.073 493 I HN 0.558 nan 8.210 nan 0.000 0.424 494 D N -0.176 120.177 120.400 -0.078 0.000 2.084 494 D HA -0.139 4.507 4.640 0.009 0.000 0.194 494 D C 2.277 178.575 176.300 -0.003 0.000 0.990 494 D CA 1.686 55.631 54.000 -0.091 0.000 0.826 494 D CB -0.644 40.075 40.800 -0.135 0.000 0.971 494 D HN 0.337 nan 8.370 nan 0.000 0.453 495 G N 0.173 108.992 108.800 0.033 0.000 2.432 495 G HA2 -0.209 3.757 3.960 0.009 0.000 0.219 495 G HA3 -0.209 3.757 3.960 0.009 0.000 0.219 495 G C 1.561 176.543 174.900 0.137 0.000 1.135 495 G CA 0.865 46.020 45.100 0.092 0.000 0.767 495 G HN 0.359 nan 8.290 nan 0.000 0.550 496 L N 1.924 123.230 121.223 0.139 0.000 2.083 496 L HA -0.022 4.324 4.340 0.009 0.000 0.209 496 L C 2.891 179.869 176.870 0.179 0.000 1.083 496 L CA 2.604 57.555 54.840 0.185 0.000 0.752 496 L CB -0.943 41.261 42.059 0.243 0.000 0.899 496 L HN 0.307 nan 8.230 nan 0.000 0.433 497 T N -3.968 110.668 114.554 0.137 0.000 3.163 497 T HA -0.094 4.262 4.350 0.009 0.000 0.260 497 T C 1.623 176.388 174.700 0.109 0.000 1.156 497 T CA 0.952 63.120 62.100 0.112 0.000 1.072 497 T CB -0.234 68.681 68.868 0.080 0.000 0.937 497 T HN 0.534 nan 8.240 nan 0.000 0.528 498 Q N -0.164 119.717 119.800 0.135 0.000 2.297 498 Q HA 0.328 4.673 4.340 0.009 0.000 0.203 498 Q C 2.097 178.290 176.000 0.322 0.000 0.931 498 Q CA 0.339 56.234 55.803 0.154 0.000 0.885 498 Q CB 0.036 28.840 28.738 0.111 0.000 0.991 498 Q HN 0.482 nan 8.270 nan 0.000 0.498 499 L N 0.386 121.802 121.223 0.321 0.000 2.209 499 L HA -0.081 4.264 4.340 0.009 0.000 0.207 499 L C 2.180 179.183 176.870 0.221 0.000 1.094 499 L CA 0.448 55.469 54.840 0.302 0.000 0.790 499 L CB -0.172 42.012 42.059 0.209 0.000 0.932 499 L HN 0.239 nan 8.230 nan 0.000 0.447 500 L N 0.252 121.591 121.223 0.193 0.000 1.997 500 L HA -0.216 4.129 4.340 0.009 0.000 0.216 500 L C -0.180 176.773 176.870 0.138 0.000 1.074 500 L CA 1.882 56.816 54.840 0.158 0.000 0.763 500 L CB -1.919 40.223 42.059 0.138 0.000 0.890 500 L HN 0.225 nan 8.230 nan 0.000 0.434 501 P HA -0.178 nan 4.420 nan 0.000 0.218 501 P C 1.405 178.782 177.300 0.129 0.000 1.146 501 P CA 1.470 64.645 63.100 0.124 0.000 0.813 501 P CB 0.095 31.870 31.700 0.126 0.000 0.778 502 I N -2.218 118.449 120.570 0.163 0.000 2.628 502 I HA -0.031 4.144 4.170 0.009 0.000 0.255 502 I C 2.231 178.409 176.117 0.101 0.000 1.119 502 I CA 0.615 61.999 61.300 0.140 0.000 1.448 502 I CB -0.672 37.431 38.000 0.172 0.000 1.133 502 I HN -0.187 nan 8.210 nan 0.000 0.438 503 I N 0.410 121.047 120.570 0.111 0.000 2.118 503 I HA -0.323 3.852 4.170 0.009 0.000 0.241 503 I C 2.206 178.374 176.117 0.086 0.000 1.070 503 I CA 1.262 62.627 61.300 0.109 0.000 1.327 503 I CB -0.349 37.731 38.000 0.133 0.000 1.034 503 I HN 0.280 nan 8.210 nan 0.000 0.405 504 Q N 0.400 120.246 119.800 0.076 0.000 2.439 504 Q HA -0.161 4.185 4.340 0.009 0.000 0.211 504 Q C 1.683 177.699 176.000 0.026 0.000 0.978 504 Q CA 1.038 56.868 55.803 0.046 0.000 0.897 504 Q CB -0.224 28.543 28.738 0.048 0.000 0.956 504 Q HN 0.591 nan 8.270 nan 0.000 0.483 505 E N 0.119 120.339 120.200 0.033 0.000 2.364 505 E HA 0.009 4.364 4.350 0.009 0.000 0.196 505 E C 1.039 177.630 176.600 -0.016 0.000 0.990 505 E CA 0.339 56.745 56.400 0.009 0.000 0.886 505 E CB 0.375 30.089 29.700 0.024 0.000 0.866 505 E HN 0.407 nan 8.360 nan 0.000 0.493 506 T N -0.717 113.842 114.554 0.007 0.000 2.732 506 T HA 0.085 4.440 4.350 0.009 0.000 0.287 506 T C 0.770 175.412 174.700 -0.095 0.000 0.993 506 T CA -0.375 61.723 62.100 -0.004 0.000 0.966 506 T CB 0.980 69.915 68.868 0.112 0.000 1.047 506 T HN -0.304 nan 8.240 nan 0.000 0.527 507 D N -0.541 119.712 120.400 -0.245 0.000 2.325 507 D HA 0.123 4.769 4.640 0.009 0.000 0.225 507 D C -0.517 175.296 176.300 -0.812 0.000 1.096 507 D CA 0.260 53.949 54.000 -0.518 0.000 0.844 507 D CB -0.123 40.296 40.800 -0.635 0.000 0.925 507 D HN 0.605 nan 8.370 nan 0.000 0.513 508 Y N 0.231 120.542 120.300 0.018 0.000 2.634 508 Y HA 0.224 4.780 4.550 0.009 0.000 0.292 508 Y C 0.223 176.145 175.900 0.036 0.000 0.996 508 Y CA -0.918 57.201 58.100 0.033 0.000 1.165 508 Y CB -0.071 38.417 38.460 0.047 0.000 1.194 508 Y HN -0.322 nan 8.280 nan 0.000 0.585 509 K N 1.247 121.682 120.400 0.058 0.000 2.286 509 K HA 0.193 4.518 4.320 0.009 0.000 0.256 509 K C 0.341 176.972 176.600 0.052 0.000 0.999 509 K CA -0.377 55.943 56.287 0.055 0.000 0.908 509 K CB 0.821 33.325 32.500 0.007 0.000 0.981 509 K HN 0.471 nan 8.250 nan 0.000 0.500 510 I N -1.749 118.840 120.570 0.032 0.000 2.581 510 I HA 0.164 4.340 4.170 0.009 0.000 0.288 510 I C 0.251 176.303 176.117 -0.107 0.000 1.047 510 I CA -0.607 60.666 61.300 -0.044 0.000 1.374 510 I CB 1.331 39.260 38.000 -0.117 0.000 1.423 510 I HN 0.727 nan 8.210 nan 0.000 0.549 511 S N 3.770 119.380 115.700 -0.150 0.000 2.624 511 S HA 0.214 4.690 4.470 0.009 0.000 0.263 511 S C 0.808 175.307 174.600 -0.168 0.000 1.287 511 S CA -0.500 57.621 58.200 -0.131 0.000 0.990 511 S CB 0.873 64.008 63.200 -0.109 0.000 0.950 511 S HN 0.815 nan 8.310 nan 0.000 0.561 512 N N 1.799 120.426 118.700 -0.122 0.000 2.104 512 N HA -0.151 4.594 4.740 0.009 0.000 0.190 512 N C 2.082 177.502 175.510 -0.150 0.000 1.024 512 N CA 1.776 54.754 53.050 -0.119 0.000 0.853 512 N CB -0.598 37.835 38.487 -0.091 0.000 1.008 512 N HN 0.830 nan 8.380 nan 0.000 0.424 513 Q N 0.739 120.451 119.800 -0.147 0.000 2.170 513 Q HA -0.101 4.245 4.340 0.009 0.000 0.203 513 Q C 1.300 177.157 176.000 -0.238 0.000 0.976 513 Q CA 1.261 56.972 55.803 -0.152 0.000 0.858 513 Q CB -0.516 28.157 28.738 -0.108 0.000 0.907 513 Q HN 0.443 nan 8.270 nan 0.000 0.433 514 E N 0.970 120.954 120.200 -0.360 0.000 2.107 514 E HA 0.015 4.371 4.350 0.009 0.000 0.191 514 E C 2.185 178.363 176.600 -0.703 0.000 0.982 514 E CA 0.456 56.426 56.400 -0.717 0.000 0.809 514 E CB 0.003 29.036 29.700 -1.111 0.000 0.756 514 E HN 0.236 nan 8.360 nan 0.000 0.459 515 L N 1.167 122.133 121.223 -0.428 0.000 2.017 515 L HA -0.227 4.119 4.340 0.009 0.000 0.208 515 L C 1.596 178.398 176.870 -0.114 0.000 1.073 515 L CA 1.247 55.950 54.840 -0.228 0.000 0.745 515 L CB -0.226 41.779 42.059 -0.090 0.000 0.894 515 L HN 0.172 nan 8.230 nan 0.000 0.432 516 D N -0.522 119.801 120.400 -0.129 0.000 2.182 516 D HA -0.251 4.394 4.640 0.009 0.000 0.201 516 D C 2.215 178.404 176.300 -0.185 0.000 0.986 516 D CA 1.171 55.118 54.000 -0.088 0.000 0.847 516 D CB -0.131 40.594 40.800 -0.125 0.000 0.942 516 D HN 0.338 nan 8.370 nan 0.000 0.467 517 M N 0.310 119.705 119.600 -0.342 0.000 2.202 517 M HA -0.149 4.337 4.480 0.009 0.000 0.262 517 M C 2.070 177.731 176.300 -1.064 0.000 1.063 517 M CA 0.897 55.843 55.300 -0.591 0.000 1.097 517 M CB 0.055 32.344 32.600 -0.519 0.000 1.382 517 M HN -0.062 nan 8.290 nan 0.000 0.413 518 V N -1.037 118.414 119.914 -0.771 0.000 2.307 518 V HA -0.280 3.846 4.120 0.009 0.000 0.245 518 V C 1.889 177.768 176.094 -0.359 0.000 1.045 518 V CA 1.766 63.695 62.300 -0.619 0.000 1.024 518 V CB -0.990 30.664 31.823 -0.282 0.000 0.651 518 V HN 0.350 nan 8.190 nan 0.000 0.449 519 Y N 0.496 120.637 120.300 -0.265 0.000 2.256 519 Y HA -0.210 4.344 4.550 0.007 0.000 0.288 519 Y C 2.599 178.394 175.900 -0.175 0.000 1.155 519 Y CA 1.895 59.875 58.100 -0.200 0.000 1.203 519 Y CB -0.253 38.106 38.460 -0.168 0.000 0.980 519 Y HN 0.124 nan 8.280 nan 0.000 0.530 520 K N -0.554 119.797 120.400 -0.082 0.000 2.057 520 K HA -0.210 4.116 4.320 0.009 0.000 0.207 520 K C 1.785 178.389 176.600 0.006 0.000 1.049 520 K CA 1.658 57.903 56.287 -0.070 0.000 0.931 520 K CB -0.340 32.075 32.500 -0.142 0.000 0.714 520 K HN 0.315 nan 8.250 nan 0.000 0.440 521 W N 1.268 122.464 121.300 -0.174 0.000 2.354 521 W HA -0.115 4.551 4.660 0.009 0.000 0.315 521 W C 2.048 178.527 176.519 -0.066 0.000 1.206 521 W CA 0.485 57.627 57.345 -0.338 0.000 1.290 521 W CB -1.093 28.054 29.460 -0.521 0.000 1.152 521 W HN 0.048 nan 8.180 nan 0.000 0.489 522 I N 0.624 121.301 120.570 0.179 0.000 2.118 522 I HA -0.404 3.771 4.170 0.009 0.000 0.241 522 I C 2.314 178.440 176.117 0.014 0.000 1.070 522 I CA 1.673 62.923 61.300 -0.084 0.000 1.327 522 I CB -0.765 36.837 38.000 -0.663 0.000 1.034 522 I HN -0.017 nan 8.210 nan 0.000 0.405 523 N N 0.343 119.046 118.700 0.006 0.000 2.062 523 N HA -0.231 4.515 4.740 0.009 0.000 0.191 523 N C 1.856 177.421 175.510 0.090 0.000 1.042 523 N CA 1.436 54.511 53.050 0.043 0.000 0.845 523 N CB -0.399 38.109 38.487 0.034 0.000 1.024 523 N HN 0.440 nan 8.380 nan 0.000 0.424 524 Q N -0.022 119.840 119.800 0.104 0.000 2.245 524 Q HA 0.105 4.451 4.340 0.009 0.000 0.201 524 Q C 1.396 177.538 176.000 0.237 0.000 0.955 524 Q CA 0.840 56.733 55.803 0.150 0.000 0.870 524 Q CB 0.280 29.104 28.738 0.143 0.000 0.945 524 Q HN 0.187 nan 8.270 nan 0.000 0.461 525 S N -0.892 114.886 115.700 0.129 0.000 2.452 525 S HA 0.100 4.576 4.470 0.009 0.000 0.225 525 S C 1.189 175.697 174.600 -0.154 0.000 1.057 525 S CA 0.188 58.365 58.200 -0.038 0.000 0.949 525 S CB 0.007 63.042 63.200 -0.276 0.000 0.836 525 S HN 0.292 nan 8.310 nan 0.000 0.518 526 F N 1.798 121.859 119.950 0.185 0.000 2.188 526 F HA 0.295 4.827 4.527 0.008 0.000 0.289 526 F C 2.010 177.909 175.800 0.166 0.000 1.082 526 F CA 0.305 58.425 58.000 0.199 0.000 1.282 526 F CB -0.857 38.386 39.000 0.405 0.000 1.060 526 F HN 0.039 nan 8.300 nan 0.000 0.493 527 L N 0.386 121.817 121.223 0.347 0.000 1.997 527 L HA -0.213 4.132 4.340 0.009 0.000 0.216 527 L C -0.441 176.507 176.870 0.130 0.000 1.074 527 L CA 1.743 56.706 54.840 0.205 0.000 0.763 527 L CB -2.118 40.017 42.059 0.128 0.000 0.890 527 L HN 0.078 nan 8.230 nan 0.000 0.434 528 P HA -0.162 nan 4.420 nan 0.000 0.224 528 P C 1.488 178.858 177.300 0.116 0.000 1.142 528 P CA 1.348 64.533 63.100 0.141 0.000 0.778 528 P CB 0.027 31.870 31.700 0.238 0.000 0.764 529 L N -2.097 119.184 121.223 0.096 0.000 2.607 529 L HA 0.181 4.527 4.340 0.009 0.000 0.228 529 L C 0.877 177.689 176.870 -0.097 0.000 1.123 529 L CA -0.080 54.761 54.840 0.002 0.000 0.890 529 L CB 0.019 42.076 42.059 -0.002 0.000 1.103 529 L HN -0.121 nan 8.230 nan 0.000 0.468 530 I N 0.853 121.379 120.570 -0.073 0.000 2.306 530 I HA 0.192 4.368 4.170 0.009 0.000 0.288 530 I C -0.662 175.316 176.117 -0.232 0.000 1.036 530 I CA -0.240 60.976 61.300 -0.139 0.000 1.221 530 I CB 1.792 39.760 38.000 -0.053 0.000 1.385 530 I HN -0.238 nan 8.210 nan 0.000 0.472 531 V N 7.601 127.304 119.914 -0.351 0.000 2.444 531 V HA 0.356 4.482 4.120 0.009 0.000 0.294 531 V C 0.184 176.098 176.094 -0.299 0.000 1.022 531 V CA -0.538 61.514 62.300 -0.414 0.000 0.850 531 V CB 1.043 32.557 31.823 -0.514 0.000 0.992 531 V HN 0.833 nan 8.190 nan 0.000 0.426 532 K N 5.178 125.432 120.400 -0.244 0.000 3.148 532 K HA -0.203 4.123 4.320 0.009 0.000 0.267 532 K C 0.975 177.587 176.600 0.020 0.000 0.996 532 K CA 0.697 56.946 56.287 -0.062 0.000 0.737 532 K CB -1.714 30.825 32.500 0.065 0.000 1.308 532 K HN 1.792 nan 8.250 nan 0.000 0.470 533 G N 0.147 108.927 108.800 -0.033 0.000 2.184 533 G HA2 -0.363 3.602 3.960 0.009 0.000 0.264 533 G HA3 -0.363 3.602 3.960 0.009 0.000 0.264 533 G C -0.175 174.643 174.900 -0.136 0.000 0.975 533 G CA 0.925 46.046 45.100 0.035 0.000 0.642 533 G HN 0.720 nan 8.290 nan 0.000 0.536 534 E N -0.452 119.547 120.200 -0.335 0.000 2.266 534 E HA 0.693 5.049 4.350 0.009 0.000 0.268 534 E C -0.465 175.937 176.600 -0.330 0.000 0.879 534 E CA -1.330 54.770 56.400 -0.501 0.000 0.762 534 E CB 1.855 31.057 29.700 -0.831 0.000 1.199 534 E HN 0.201 nan 8.360 nan 0.000 0.422 535 L N 3.864 124.939 121.223 -0.246 0.000 2.313 535 L HA 0.272 4.618 4.340 0.009 0.000 0.282 535 L C 0.142 176.899 176.870 -0.189 0.000 1.092 535 L CA -0.511 54.221 54.840 -0.180 0.000 0.831 535 L CB 0.487 42.478 42.059 -0.114 0.000 1.159 535 L HN 0.741 nan 8.230 nan 0.000 0.442 536 M N 4.492 123.940 119.600 -0.253 0.000 2.336 536 M HA -0.134 4.352 4.480 0.009 0.000 0.371 536 M C 1.026 177.187 176.300 -0.231 0.000 1.542 536 M CA 0.165 55.293 55.300 -0.288 0.000 0.959 536 M CB 0.198 32.612 32.600 -0.311 0.000 2.033 536 M HN 0.568 nan 8.290 nan 0.000 0.472 537 D N 3.320 123.579 120.400 -0.235 0.000 2.149 537 D HA -0.174 4.472 4.640 0.009 0.000 0.198 537 D C 1.706 177.910 176.300 -0.160 0.000 0.990 537 D CA 1.668 55.609 54.000 -0.099 0.000 0.839 537 D CB -0.116 40.813 40.800 0.216 0.000 0.948 537 D HN 0.713 nan 8.370 nan 0.000 0.460 538 M N 0.268 119.647 119.600 -0.369 0.000 2.521 538 M HA -0.087 4.398 4.480 0.009 0.000 0.260 538 M C 1.508 177.722 176.300 -0.143 0.000 1.068 538 M CA 1.328 56.528 55.300 -0.167 0.000 1.060 538 M CB -0.700 31.789 32.600 -0.186 0.000 1.398 538 M HN -0.049 nan 8.290 nan 0.000 0.473 539 S N -1.014 114.591 115.700 -0.159 0.000 2.554 539 S HA 0.304 4.779 4.470 0.009 0.000 0.226 539 S C 1.440 175.993 174.600 -0.078 0.000 0.980 539 S CA -0.741 57.379 58.200 -0.133 0.000 0.939 539 S CB -0.072 63.050 63.200 -0.130 0.000 0.832 539 S HN 0.649 nan 8.310 nan 0.000 0.486 540 R N 1.076 121.525 120.500 -0.084 0.000 2.362 540 R HA 0.359 4.704 4.340 0.009 0.000 0.227 540 R C 1.558 177.876 176.300 0.029 0.000 0.905 540 R CA 0.289 56.395 56.100 0.011 0.000 1.067 540 R CB 0.064 30.354 30.300 -0.017 0.000 1.078 540 R HN 0.499 nan 8.270 nan 0.000 0.516 541 G N 2.947 111.581 108.800 -0.277 0.000 2.596 541 G HA2 -0.439 3.526 3.960 0.009 0.000 0.295 541 G HA3 -0.439 3.526 3.960 0.009 0.000 0.295 541 G C 0.630 175.481 174.900 -0.082 0.000 1.240 541 G CA 0.626 45.505 45.100 -0.368 0.000 0.985 541 G HN 0.501 nan 8.290 nan 0.000 0.555 542 R N 0.101 120.648 120.500 0.078 0.000 2.339 542 R HA 0.246 4.592 4.340 0.009 0.000 0.199 542 R C 2.088 178.374 176.300 -0.023 0.000 1.018 542 R CA 1.653 57.764 56.100 0.018 0.000 1.036 542 R CB -0.267 30.079 30.300 0.077 0.000 0.899 542 R HN 0.275 nan 8.270 nan 0.000 0.473 543 S N 1.579 117.282 115.700 0.005 0.000 2.555 543 S HA 0.018 4.493 4.470 0.009 0.000 0.230 543 S C 1.768 176.320 174.600 -0.080 0.000 0.978 543 S CA 0.804 58.979 58.200 -0.042 0.000 0.934 543 S CB -0.254 62.924 63.200 -0.037 0.000 0.766 543 S HN 0.540 nan 8.310 nan 0.000 0.533 544 I N 0.398 120.858 120.570 -0.184 0.000 2.546 544 I HA -0.023 4.153 4.170 0.009 0.000 0.255 544 I C 2.038 178.047 176.117 -0.181 0.000 1.163 544 I CA 1.082 62.185 61.300 -0.328 0.000 1.457 544 I CB -0.613 36.842 38.000 -0.910 0.000 1.092 544 I HN 0.205 nan 8.210 nan 0.000 0.434 545 S N 0.751 116.394 115.700 -0.095 0.000 2.562 545 S HA 0.138 4.614 4.470 0.009 0.000 0.221 545 S C 1.005 175.823 174.600 0.363 0.000 0.975 545 S CA -0.335 57.975 58.200 0.183 0.000 0.918 545 S CB -0.420 62.797 63.200 0.029 0.000 0.772 545 S HN 0.428 nan 8.310 nan 0.000 0.531 546 R N 1.753 122.315 120.500 0.103 0.000 2.216 546 R HA 0.252 4.598 4.340 0.009 0.000 0.332 546 R C 0.902 176.989 176.300 -0.355 0.000 1.056 546 R CA -0.161 55.890 56.100 -0.082 0.000 0.901 546 R CB 0.612 30.854 30.300 -0.097 0.000 1.039 546 R HN 0.450 nan 8.270 nan 0.000 0.456 547 E N 2.714 122.405 120.200 -0.848 0.000 2.204 547 E HA -0.180 4.176 4.350 0.009 0.000 0.195 547 E C 1.065 177.330 176.600 -0.558 0.000 0.990 547 E CA 1.220 56.809 56.400 -1.352 0.000 0.821 547 E CB 0.230 28.924 29.700 -1.677 0.000 0.750 547 E HN 0.729 nan 8.360 nan 0.000 0.477 548 A N -0.007 122.611 122.820 -0.337 0.000 2.275 548 A HA 0.381 4.706 4.320 0.009 0.000 0.212 548 A C 0.973 178.486 177.584 -0.118 0.000 1.201 548 A CA 0.500 52.429 52.037 -0.179 0.000 0.843 548 A CB 0.398 19.311 19.000 -0.146 0.000 0.873 548 A HN 0.170 nan 8.150 nan 0.000 0.492 549 A N 1.147 123.891 122.820 -0.127 0.000 2.786 549 A HA 0.581 4.907 4.320 0.009 0.000 0.346 549 A C 0.488 178.052 177.584 -0.033 0.000 1.265 549 A CA 0.091 52.077 52.037 -0.085 0.000 0.858 549 A CB -0.397 18.546 19.000 -0.096 0.000 1.118 549 A HN 0.569 nan 8.150 nan 0.000 0.482 550 S N 0.596 116.289 115.700 -0.011 0.000 2.681 550 S HA 0.370 4.846 4.470 0.009 0.000 0.270 550 S C 1.385 176.007 174.600 0.036 0.000 1.209 550 S CA 0.185 58.438 58.200 0.088 0.000 0.988 550 S CB 0.962 64.248 63.200 0.142 0.000 1.006 550 S HN 1.145 nan 8.310 nan 0.000 0.558 551 S N -0.324 115.440 115.700 0.106 0.000 2.423 551 S HA -0.151 4.325 4.470 0.009 0.000 0.231 551 S C 1.498 175.991 174.600 -0.178 0.000 1.014 551 S CA 0.859 59.050 58.200 -0.014 0.000 0.965 551 S CB -0.956 62.266 63.200 0.038 0.000 0.785 551 S HN 0.807 nan 8.310 nan 0.000 0.495 552 H N 1.317 120.305 119.070 -0.137 0.000 2.403 552 H HA 0.278 4.839 4.556 0.008 0.000 0.298 552 H C 2.620 177.565 175.328 -0.638 0.000 1.059 552 H CA 1.164 57.005 56.048 -0.345 0.000 1.363 552 H CB -0.391 29.152 29.762 -0.365 0.000 1.410 552 H HN 0.571 nan 8.280 nan 0.000 0.528 553 A N 1.221 123.694 122.820 -0.579 0.000 1.930 553 A HA -0.018 4.307 4.320 0.009 0.000 0.217 553 A C 2.614 180.080 177.584 -0.196 0.000 1.175 553 A CA 1.302 53.102 52.037 -0.394 0.000 0.627 553 A CB -0.580 18.308 19.000 -0.187 0.000 0.815 553 A HN 0.400 nan 8.150 nan 0.000 0.443 554 A N -0.152 122.564 122.820 -0.173 0.000 1.969 554 A HA 0.206 4.532 4.320 0.009 0.000 0.218 554 A C 2.418 179.902 177.584 -0.167 0.000 1.169 554 A CA 1.823 53.772 52.037 -0.146 0.000 0.635 554 A CB -0.788 18.146 19.000 -0.110 0.000 0.810 554 A HN 0.962 nan 8.150 nan 0.000 0.445 555 A N -0.503 122.214 122.820 -0.171 0.000 1.930 555 A HA 0.054 4.380 4.320 0.009 0.000 0.217 555 A C 2.131 179.604 177.584 -0.185 0.000 1.175 555 A CA 1.611 53.548 52.037 -0.165 0.000 0.627 555 A CB -0.741 18.174 19.000 -0.142 0.000 0.815 555 A HN 0.396 nan 8.150 nan 0.000 0.443 556 V N 0.356 120.183 119.914 -0.146 0.000 2.515 556 V HA -0.244 3.882 4.120 0.009 0.000 0.250 556 V C 2.435 178.416 176.094 -0.188 0.000 1.058 556 V CA 2.115 64.340 62.300 -0.124 0.000 1.064 556 V CB -0.811 31.008 31.823 -0.005 0.000 0.675 556 V HN 0.847 nan 8.190 nan 0.000 0.461 557 E N 1.011 121.091 120.200 -0.200 0.000 2.153 557 E HA -0.188 4.168 4.350 0.009 0.000 0.194 557 E C 1.922 178.314 176.600 -0.346 0.000 0.988 557 E CA 1.992 58.257 56.400 -0.226 0.000 0.811 557 E CB 0.030 29.613 29.700 -0.196 0.000 0.746 557 E HN 0.581 nan 8.360 nan 0.000 0.466 558 V N -1.016 118.604 119.914 -0.491 0.000 2.685 558 V HA 0.003 4.129 4.120 0.009 0.000 0.244 558 V C 2.407 177.809 176.094 -1.154 0.000 1.054 558 V CA 0.493 62.250 62.300 -0.905 0.000 1.076 558 V CB -0.563 30.563 31.823 -1.162 0.000 0.725 558 V HN 0.180 nan 8.190 nan 0.000 0.467 559 L N 1.279 122.082 121.223 -0.700 0.000 2.131 559 L HA -0.128 4.217 4.340 0.009 0.000 0.210 559 L C 3.051 179.770 176.870 -0.253 0.000 1.092 559 L CA 2.286 56.881 54.840 -0.407 0.000 0.759 559 L CB -0.604 41.344 42.059 -0.184 0.000 0.903 559 L HN 0.472 nan 8.230 nan 0.000 0.435 560 R N 0.283 120.627 120.500 -0.260 0.000 2.090 560 R HA -0.062 4.284 4.340 0.009 0.000 0.228 560 R C 2.129 178.345 176.300 -0.139 0.000 1.110 560 R CA 1.355 57.354 56.100 -0.168 0.000 0.973 560 R CB -0.822 29.381 30.300 -0.161 0.000 0.869 560 R HN 0.220 nan 8.270 nan 0.000 0.440 561 G N 1.000 109.666 108.800 -0.224 0.000 2.404 561 G HA2 -0.192 3.774 3.960 0.009 0.000 0.215 561 G HA3 -0.192 3.774 3.960 0.009 0.000 0.215 561 G C 1.065 175.983 174.900 0.030 0.000 1.174 561 G CA 0.334 45.355 45.100 -0.132 0.000 0.780 561 G HN 0.217 nan 8.290 nan 0.000 0.537 562 F N 0.731 120.606 119.950 -0.125 0.000 2.161 562 F HA 0.037 4.568 4.527 0.007 0.000 0.300 562 F C 2.499 178.256 175.800 -0.073 0.000 1.089 562 F CA -0.089 57.843 58.000 -0.115 0.000 1.282 562 F CB -1.013 37.923 39.000 -0.106 0.000 1.010 562 F HN 0.052 nan 8.300 nan 0.000 0.485 563 L N -0.401 120.893 121.223 0.118 0.000 2.056 563 L HA -0.216 4.130 4.340 0.009 0.000 0.207 563 L C 2.649 179.550 176.870 0.052 0.000 1.078 563 L CA 1.296 56.173 54.840 0.062 0.000 0.749 563 L CB -0.305 41.761 42.059 0.012 0.000 0.901 563 L HN 0.087 nan 8.230 nan 0.000 0.433 564 R N -0.580 119.944 120.500 0.040 0.000 2.080 564 R HA -0.256 4.089 4.340 0.009 0.000 0.236 564 R C 2.132 178.465 176.300 0.056 0.000 1.137 564 R CA 1.752 57.877 56.100 0.043 0.000 0.943 564 R CB -0.638 29.683 30.300 0.035 0.000 0.846 564 R HN 0.207 nan 8.270 nan 0.000 0.431 565 L N 0.756 122.012 121.223 0.054 0.000 1.990 565 L HA -0.198 4.148 4.340 0.009 0.000 0.213 565 L C 2.275 179.184 176.870 0.064 0.000 1.072 565 L CA 2.273 57.131 54.840 0.030 0.000 0.755 565 L CB -0.735 41.286 42.059 -0.062 0.000 0.889 565 L HN 0.208 nan 8.230 nan 0.000 0.432 566 A N -0.944 121.920 122.820 0.074 0.000 2.024 566 A HA -0.207 4.119 4.320 0.009 0.000 0.220 566 A C 2.032 179.667 177.584 0.086 0.000 1.164 566 A CA 1.781 53.883 52.037 0.108 0.000 0.643 566 A CB -0.793 18.265 19.000 0.097 0.000 0.806 566 A HN 0.659 nan 8.150 nan 0.000 0.451 567 N N -0.608 118.134 118.700 0.070 0.000 2.515 567 N HA 0.035 4.781 4.740 0.009 0.000 0.185 567 N C 1.374 176.922 175.510 0.063 0.000 1.109 567 N CA 0.613 53.699 53.050 0.061 0.000 0.903 567 N CB -0.181 38.340 38.487 0.056 0.000 0.969 567 N HN 0.576 nan 8.380 nan 0.000 0.450 568 M N -0.397 119.246 119.600 0.072 0.000 2.476 568 M HA -0.029 4.456 4.480 0.009 0.000 0.262 568 M C 0.559 176.894 176.300 0.058 0.000 1.079 568 M CA 0.477 55.818 55.300 0.069 0.000 1.104 568 M CB 0.071 32.718 32.600 0.077 0.000 1.409 568 M HN 0.014 nan 8.290 nan 0.000 0.467 569 S N -1.441 114.294 115.700 0.057 0.000 2.611 569 S HA 0.226 4.702 4.470 0.009 0.000 0.270 569 S C -0.662 173.957 174.600 0.032 0.000 1.131 569 S CA -0.960 57.264 58.200 0.039 0.000 0.826 569 S CB 0.596 63.815 63.200 0.030 0.000 1.095 569 S HN 0.284 nan 8.310 nan 0.000 0.461 570 N N 0.556 119.266 118.700 0.017 0.000 2.336 570 N HA 0.098 4.843 4.740 0.009 0.000 0.189 570 N C -0.188 175.320 175.510 -0.004 0.000 1.113 570 N CA -0.233 52.822 53.050 0.010 0.000 0.858 570 N CB 0.117 38.608 38.487 0.007 0.000 0.970 570 N HN 0.525 nan 8.380 nan 0.000 0.471 571 E N 1.236 121.428 120.200 -0.013 0.000 2.485 571 E HA -0.162 4.194 4.350 0.009 0.000 0.266 571 E C 0.940 177.513 176.600 -0.044 0.000 1.137 571 E CA 0.344 56.720 56.400 -0.039 0.000 1.010 571 E CB 0.653 30.315 29.700 -0.065 0.000 0.986 571 E HN 0.277 nan 8.360 nan 0.000 0.460 572 E N 2.096 122.260 120.200 -0.061 0.000 2.012 572 E HA -0.251 4.104 4.350 0.009 0.000 0.197 572 E C 2.010 178.570 176.600 -0.067 0.000 1.007 572 E CA 1.874 58.240 56.400 -0.057 0.000 0.816 572 E CB -0.097 29.564 29.700 -0.064 0.000 0.762 572 E HN 0.546 nan 8.360 nan 0.000 0.451 573 R N 0.528 120.952 120.500 -0.126 0.000 2.139 573 R HA -0.111 4.235 4.340 0.009 0.000 0.243 573 R C 1.969 178.238 176.300 -0.051 0.000 1.145 573 R CA 1.835 57.842 56.100 -0.154 0.000 0.976 573 R CB -0.578 29.489 30.300 -0.388 0.000 0.866 573 R HN 0.159 nan 8.270 nan 0.000 0.449 574 N N 0.755 119.439 118.700 -0.026 0.000 2.216 574 N HA -0.044 4.702 4.740 0.009 0.000 0.183 574 N C 1.863 177.405 175.510 0.054 0.000 1.017 574 N CA 1.193 54.289 53.050 0.077 0.000 0.861 574 N CB -0.015 38.516 38.487 0.072 0.000 0.986 574 N HN 0.274 nan 8.380 nan 0.000 0.428 575 L N 0.762 121.997 121.223 0.020 0.000 2.093 575 L HA -0.158 4.188 4.340 0.009 0.000 0.208 575 L C 2.123 179.005 176.870 0.021 0.000 1.085 575 L CA 1.123 55.974 54.840 0.019 0.000 0.755 575 L CB -0.319 41.743 42.059 0.005 0.000 0.904 575 L HN 0.091 nan 8.230 nan 0.000 0.435 576 D N 0.014 120.422 120.400 0.013 0.000 2.144 576 D HA -0.215 4.431 4.640 0.009 0.000 0.200 576 D C 2.080 178.400 176.300 0.033 0.000 0.978 576 D CA 0.754 54.763 54.000 0.015 0.000 0.833 576 D CB 0.109 40.908 40.800 -0.001 0.000 0.961 576 D HN 0.089 nan 8.370 nan 0.000 0.470 577 L N 0.830 122.086 121.223 0.055 0.000 2.046 577 L HA -0.051 4.295 4.340 0.009 0.000 0.208 577 L C 2.027 178.935 176.870 0.063 0.000 1.077 577 L CA 1.786 56.668 54.840 0.070 0.000 0.747 577 L CB -0.610 41.520 42.059 0.118 0.000 0.896 577 L HN -0.072 nan 8.230 nan 0.000 0.432 578 K N -1.094 119.341 120.400 0.059 0.000 2.103 578 K HA -0.176 4.150 4.320 0.009 0.000 0.207 578 K C 2.331 178.954 176.600 0.039 0.000 1.048 578 K CA 1.481 57.798 56.287 0.049 0.000 0.930 578 K CB -0.276 32.249 32.500 0.041 0.000 0.716 578 K HN 0.428 nan 8.250 nan 0.000 0.444 579 S N -0.057 115.663 115.700 0.034 0.000 2.402 579 S HA -0.102 4.373 4.470 0.009 0.000 0.229 579 S C 1.794 176.412 174.600 0.030 0.000 1.021 579 S CA 1.600 59.817 58.200 0.028 0.000 0.974 579 S CB -0.114 63.100 63.200 0.022 0.000 0.800 579 S HN 0.256 nan 8.310 nan 0.000 0.484 580 T N 1.829 116.405 114.554 0.036 0.000 2.857 580 T HA 0.145 4.501 4.350 0.009 0.000 0.266 580 T C 1.637 176.364 174.700 0.045 0.000 1.048 580 T CA 1.187 63.309 62.100 0.038 0.000 1.139 580 T CB -0.234 68.659 68.868 0.042 0.000 0.874 580 T HN 0.366 nan 8.240 nan 0.000 0.455 581 I N 0.912 121.516 120.570 0.057 0.000 2.252 581 I HA -0.108 4.067 4.170 0.009 0.000 0.245 581 I C 2.500 178.633 176.117 0.027 0.000 1.102 581 I CA 1.216 62.550 61.300 0.055 0.000 1.385 581 I CB -0.194 37.844 38.000 0.063 0.000 1.064 581 I HN 0.114 nan 8.210 nan 0.000 0.414 582 K N 0.343 120.758 120.400 0.024 0.000 2.097 582 K HA -0.159 4.167 4.320 0.009 0.000 0.206 582 K C 2.020 178.632 176.600 0.020 0.000 1.049 582 K CA 1.742 58.040 56.287 0.018 0.000 0.933 582 K CB -0.047 32.464 32.500 0.020 0.000 0.717 582 K HN 0.230 nan 8.250 nan 0.000 0.442 583 T N 1.339 115.906 114.554 0.022 0.000 2.708 583 T HA -0.097 4.259 4.350 0.009 0.000 0.266 583 T C 1.817 176.527 174.700 0.017 0.000 1.037 583 T CA 1.533 63.645 62.100 0.020 0.000 1.146 583 T CB -0.142 68.736 68.868 0.018 0.000 0.865 583 T HN 0.166 nan 8.240 nan 0.000 0.435 584 I N 0.893 121.470 120.570 0.013 0.000 2.142 584 I HA -0.144 4.031 4.170 0.009 0.000 0.240 584 I C 2.278 178.412 176.117 0.028 0.000 1.078 584 I CA 0.951 62.256 61.300 0.008 0.000 1.343 584 I CB -0.391 37.611 38.000 0.004 0.000 1.046 584 I HN 0.161 nan 8.210 nan 0.000 0.405 585 I N 0.736 121.320 120.570 0.023 0.000 2.194 585 I HA -0.287 3.889 4.170 0.009 0.000 0.246 585 I C 2.527 178.668 176.117 0.041 0.000 1.093 585 I CA 1.974 63.289 61.300 0.025 0.000 1.355 585 I CB -1.742 36.251 38.000 -0.012 0.000 1.046 585 I HN 0.293 nan 8.210 nan 0.000 0.413 586 T N 0.299 114.874 114.554 0.035 0.000 2.995 586 T HA -0.095 4.260 4.350 0.009 0.000 0.269 586 T C 2.026 176.756 174.700 0.051 0.000 1.091 586 T CA 1.401 63.525 62.100 0.040 0.000 1.128 586 T CB -0.206 68.682 68.868 0.033 0.000 0.891 586 T HN 0.514 nan 8.240 nan 0.000 0.492 587 S N 1.662 117.394 115.700 0.054 0.000 2.387 587 S HA -0.034 4.441 4.470 0.009 0.000 0.226 587 S C 1.088 175.748 174.600 0.101 0.000 1.026 587 S CA 0.249 58.488 58.200 0.065 0.000 0.972 587 S CB -0.556 62.669 63.200 0.043 0.000 0.814 587 S HN 0.265 nan 8.310 nan 0.000 0.477 588 N N 2.576 121.351 118.700 0.125 0.000 2.423 588 N HA 0.068 4.814 4.740 0.009 0.000 0.275 588 N C 0.041 175.637 175.510 0.144 0.000 1.283 588 N CA 0.226 53.392 53.050 0.192 0.000 0.932 588 N CB 0.538 39.169 38.487 0.240 0.000 1.185 588 N HN 0.404 nan 8.380 nan 0.000 0.483 589 K N 2.945 123.440 120.400 0.159 0.000 2.399 589 K HA 0.049 4.375 4.320 0.009 0.000 0.204 589 K C 0.529 177.215 176.600 0.143 0.000 1.023 589 K CA -0.110 56.246 56.287 0.116 0.000 1.127 589 K CB 0.291 32.853 32.500 0.103 0.000 0.856 589 K HN 0.501 nan 8.250 nan 0.000 0.514 590 F N -0.439 119.500 119.950 -0.019 0.000 2.581 590 F HA 0.251 4.783 4.527 0.008 0.000 0.278 590 F C 0.030 175.787 175.800 -0.072 0.000 1.000 590 F CA -0.462 57.492 58.000 -0.077 0.000 1.230 590 F CB 0.486 39.391 39.000 -0.158 0.000 1.008 590 F HN -0.104 nan 8.300 nan 0.000 0.695 591 Y N 2.460 122.385 120.300 -0.624 0.000 2.387 591 Y HA 0.428 4.983 4.550 0.008 0.000 0.336 591 Y C -0.506 175.243 175.900 -0.251 0.000 1.067 591 Y CA -1.391 56.323 58.100 -0.643 0.000 1.114 591 Y CB 0.708 38.910 38.460 -0.430 0.000 1.208 591 Y HN 0.076 nan 8.280 nan 0.000 0.458 592 N N 5.217 123.451 118.700 -0.776 0.000 2.521 592 N HA 0.022 4.768 4.740 0.009 0.000 0.236 592 N C 0.857 176.043 175.510 -0.541 0.000 1.067 592 N CA 0.177 52.947 53.050 -0.467 0.000 0.939 592 N CB 0.919 39.192 38.487 -0.356 0.000 1.201 592 N HN 0.766 nan 8.380 nan 0.000 0.511 593 V N 4.622 124.415 119.914 -0.202 0.000 2.353 593 V HA -0.314 3.812 4.120 0.009 0.000 0.260 593 V C 1.295 177.256 176.094 -0.222 0.000 1.091 593 V CA 1.987 64.216 62.300 -0.120 0.000 1.088 593 V CB -0.783 30.907 31.823 -0.221 0.000 0.672 593 V HN 0.658 nan 8.190 nan 0.000 0.455 594 F N 0.602 120.460 119.950 -0.155 0.000 2.722 594 F HA -0.009 4.523 4.527 0.008 0.000 0.298 594 F C 1.985 177.697 175.800 -0.147 0.000 1.175 594 F CA 1.169 59.094 58.000 -0.125 0.000 1.462 594 F CB -0.601 38.328 39.000 -0.118 0.000 1.111 594 F HN 0.298 nan 8.300 nan 0.000 0.592 595 N N -0.144 118.479 118.700 -0.128 0.000 2.459 595 N HA -0.120 4.625 4.740 0.009 0.000 0.181 595 N C 0.703 176.231 175.510 0.031 0.000 1.046 595 N CA 0.796 53.770 53.050 -0.127 0.000 0.904 595 N CB -0.300 37.951 38.487 -0.394 0.000 0.964 595 N HN 0.366 nan 8.380 nan 0.000 0.444 596 N N -0.221 118.521 118.700 0.069 0.000 2.497 596 N HA 0.214 4.960 4.740 0.009 0.000 0.284 596 N C -1.227 174.276 175.510 -0.012 0.000 1.459 596 N CA 0.004 53.090 53.050 0.061 0.000 0.899 596 N CB 0.500 39.056 38.487 0.114 0.000 1.316 596 N HN -0.063 nan 8.380 nan 0.000 0.500 597 L N 1.952 123.170 121.223 -0.009 0.000 2.384 597 L HA 0.383 4.728 4.340 0.009 0.000 0.261 597 L C 0.328 177.208 176.870 0.016 0.000 1.024 597 L CA -0.462 54.365 54.840 -0.022 0.000 0.899 597 L CB 1.210 43.245 42.059 -0.040 0.000 1.243 597 L HN 0.007 nan 8.230 nan 0.000 0.449 598 K N 1.163 121.544 120.400 -0.031 0.000 2.500 598 K HA 0.181 4.507 4.320 0.009 0.000 0.206 598 K C 0.361 176.890 176.600 -0.118 0.000 1.034 598 K CA -0.010 56.243 56.287 -0.056 0.000 1.179 598 K CB 0.752 33.212 32.500 -0.066 0.000 0.884 598 K HN 0.490 nan 8.250 nan 0.000 0.493 599 S N -0.942 114.694 115.700 -0.107 0.000 2.569 599 S HA 0.340 4.816 4.470 0.009 0.000 0.280 599 S C 0.420 174.977 174.600 -0.073 0.000 1.111 599 S CA -0.686 57.397 58.200 -0.195 0.000 0.887 599 S CB 0.795 63.907 63.200 -0.147 0.000 1.095 599 S HN 0.053 nan 8.310 nan 0.000 0.476 600 Y N 1.959 122.289 120.300 0.049 0.000 2.293 600 Y HA -0.030 4.525 4.550 0.008 0.000 0.291 600 Y C 3.024 178.938 175.900 0.024 0.000 1.137 600 Y CA 1.261 59.393 58.100 0.054 0.000 1.202 600 Y CB -1.167 37.358 38.460 0.108 0.000 0.990 600 Y HN 0.839 nan 8.280 nan 0.000 0.537 601 S N -0.609 115.187 115.700 0.160 0.000 2.368 601 S HA -0.143 4.333 4.470 0.009 0.000 0.224 601 S C 1.507 176.144 174.600 0.060 0.000 1.029 601 S CA 1.389 59.655 58.200 0.110 0.000 0.988 601 S CB -0.378 62.889 63.200 0.112 0.000 0.838 601 S HN 0.302 nan 8.310 nan 0.000 0.462 602 D N 1.631 122.051 120.400 0.032 0.000 2.149 602 D HA 0.163 4.808 4.640 0.009 0.000 0.201 602 D C 1.869 178.189 176.300 0.034 0.000 0.972 602 D CA 0.640 54.642 54.000 0.003 0.000 0.835 602 D CB -0.305 40.472 40.800 -0.038 0.000 0.966 602 D HN 0.425 nan 8.370 nan 0.000 0.476 603 I N 0.901 121.538 120.570 0.112 0.000 2.315 603 I HA -0.208 3.968 4.170 0.009 0.000 0.248 603 I C 2.392 178.643 176.117 0.223 0.000 1.117 603 I CA 0.780 62.238 61.300 0.263 0.000 1.404 603 I CB -0.145 38.017 38.000 0.270 0.000 1.071 603 I HN -0.078 nan 8.210 nan 0.000 0.419 604 A N 1.001 123.885 122.820 0.106 0.000 1.858 604 A HA -0.247 4.079 4.320 0.009 0.000 0.216 604 A C 2.071 179.680 177.584 0.041 0.000 1.190 604 A CA 2.130 54.190 52.037 0.037 0.000 0.617 604 A CB -1.098 17.889 19.000 -0.022 0.000 0.827 604 A HN 0.459 nan 8.150 nan 0.000 0.443 605 N N -1.313 117.407 118.700 0.034 0.000 2.094 605 N HA -0.229 4.517 4.740 0.009 0.000 0.191 605 N C 1.757 177.276 175.510 0.014 0.000 1.023 605 N CA 1.753 54.815 53.050 0.020 0.000 0.857 605 N CB -0.195 38.299 38.487 0.011 0.000 1.013 605 N HN 0.427 nan 8.380 nan 0.000 0.426 606 M N 1.335 120.935 119.600 0.001 0.000 2.229 606 M HA -0.062 4.423 4.480 0.009 0.000 0.264 606 M C 1.138 177.483 176.300 0.075 0.000 1.063 606 M CA 1.557 56.828 55.300 -0.048 0.000 1.114 606 M CB -0.366 32.051 32.600 -0.305 0.000 1.387 606 M HN 0.105 nan 8.290 nan 0.000 0.420 607 N N -0.719 118.082 118.700 0.167 0.000 2.106 607 N HA -0.128 4.618 4.740 0.009 0.000 0.188 607 N C 1.598 177.145 175.510 0.060 0.000 1.029 607 N CA 1.074 54.215 53.050 0.152 0.000 0.848 607 N CB -0.094 38.454 38.487 0.101 0.000 1.007 607 N HN 0.325 nan 8.380 nan 0.000 0.423 608 K N 0.900 121.320 120.400 0.033 0.000 2.147 608 K HA -0.078 4.248 4.320 0.009 0.000 0.205 608 K C 1.944 178.555 176.600 0.019 0.000 1.049 608 K CA 0.592 56.887 56.287 0.014 0.000 0.936 608 K CB -0.088 32.416 32.500 0.006 0.000 0.722 608 K HN 0.215 nan 8.250 nan 0.000 0.446 609 L N 1.065 122.302 121.223 0.023 0.000 1.988 609 L HA -0.174 4.171 4.340 0.009 0.000 0.207 609 L C 2.090 178.973 176.870 0.022 0.000 1.071 609 L CA 1.479 56.330 54.840 0.019 0.000 0.744 609 L CB -0.353 41.712 42.059 0.010 0.000 0.893 609 L HN 0.246 nan 8.230 nan 0.000 0.433 610 L N -0.349 120.893 121.223 0.031 0.000 2.265 610 L HA -0.210 4.135 4.340 0.009 0.000 0.215 610 L C 1.449 178.337 176.870 0.031 0.000 1.117 610 L CA 1.325 56.187 54.840 0.037 0.000 0.782 610 L CB -0.515 41.584 42.059 0.067 0.000 0.914 610 L HN 0.434 nan 8.230 nan 0.000 0.441 611 N N -1.487 117.229 118.700 0.026 0.000 2.236 611 N HA -0.026 4.719 4.740 0.009 0.000 0.196 611 N C 0.092 175.607 175.510 0.008 0.000 1.114 611 N CA -0.146 52.912 53.050 0.013 0.000 0.859 611 N CB 0.377 38.867 38.487 0.005 0.000 0.982 611 N HN 0.090 nan 8.380 nan 0.000 0.493 612 D N 0.449 120.856 120.400 0.012 0.000 2.339 612 D HA 0.075 4.721 4.640 0.009 0.000 0.241 612 D C 0.806 177.112 176.300 0.010 0.000 1.183 612 D CA -0.135 53.871 54.000 0.009 0.000 0.859 612 D CB 0.949 41.755 40.800 0.011 0.000 1.067 612 D HN 0.146 nan 8.370 nan 0.000 0.484 613 S N 1.491 117.195 115.700 0.007 0.000 2.436 613 S HA -0.163 4.312 4.470 0.009 0.000 0.228 613 S C 1.893 176.498 174.600 0.008 0.000 1.014 613 S CA 0.992 59.196 58.200 0.007 0.000 0.950 613 S CB -0.535 62.668 63.200 0.005 0.000 0.784 613 S HN 0.594 nan 8.310 nan 0.000 0.504 614 T N -0.044 114.514 114.554 0.007 0.000 3.077 614 T HA 0.085 4.440 4.350 0.009 0.000 0.269 614 T C 0.457 175.162 174.700 0.010 0.000 1.146 614 T CA 0.307 62.411 62.100 0.007 0.000 1.091 614 T CB -0.564 68.308 68.868 0.007 0.000 0.892 614 T HN 0.192 nan 8.240 nan 0.000 0.533 615 V N 1.974 121.895 119.914 0.012 0.000 2.313 615 V HA 0.745 4.871 4.120 0.009 0.000 0.278 615 V C 0.320 176.423 176.094 0.015 0.000 1.017 615 V CA -1.065 61.244 62.300 0.014 0.000 0.823 615 V CB 0.516 32.349 31.823 0.017 0.000 1.010 615 V HN 0.647 nan 8.190 nan 0.000 0.443 616 A N 3.882 126.711 122.820 0.014 0.000 2.312 616 A HA 0.838 5.163 4.320 0.009 0.000 0.328 616 A C 0.498 178.092 177.584 0.018 0.000 1.158 616 A CA -0.333 51.713 52.037 0.015 0.000 0.821 616 A CB 1.098 20.106 19.000 0.014 0.000 1.170 616 A HN 0.840 nan 8.150 nan 0.000 0.490 617 T N -0.253 114.313 114.554 0.019 0.000 2.828 617 T HA 0.562 4.918 4.350 0.009 0.000 0.290 617 T C -0.162 174.551 174.700 0.022 0.000 1.019 617 T CA -0.474 61.639 62.100 0.021 0.000 1.031 617 T CB 0.438 69.320 68.868 0.023 0.000 1.001 617 T HN 0.749 nan 8.240 nan 0.000 0.531 618 K N 0.173 120.587 120.400 0.023 0.000 2.395 618 K HA 0.683 5.009 4.320 0.009 0.000 0.247 618 K C -2.927 173.692 176.600 0.031 0.000 0.973 618 K CA -2.285 54.017 56.287 0.025 0.000 0.828 618 K CB 0.902 33.416 32.500 0.023 0.000 1.272 618 K HN 0.386 nan 8.250 nan 0.000 0.439 619 P HA 0.091 nan 4.420 nan 0.000 0.271 619 P C -0.513 176.823 177.300 0.060 0.000 1.218 619 P CA -0.484 62.645 63.100 0.047 0.000 0.780 619 P CB 0.334 32.060 31.700 0.043 0.000 0.901 620 L N 0.689 121.966 121.223 0.089 0.000 2.483 620 L HA 0.263 4.609 4.340 0.009 0.000 0.276 620 L C 0.926 177.891 176.870 0.158 0.000 1.213 620 L CA 0.552 55.479 54.840 0.145 0.000 0.843 620 L CB -0.496 41.730 42.059 0.279 0.000 1.107 620 L HN 0.350 nan 8.230 nan 0.000 0.487 621 K N 1.021 121.522 120.400 0.168 0.000 2.345 621 K HA 0.425 4.750 4.320 0.009 0.000 0.255 621 K C -0.705 175.971 176.600 0.127 0.000 0.934 621 K CA -0.529 55.824 56.287 0.110 0.000 0.801 621 K CB 1.652 34.190 32.500 0.064 0.000 1.137 621 K HN 0.734 nan 8.250 nan 0.000 0.424 622 S N 2.192 117.884 115.700 -0.013 0.000 2.560 622 S HA 0.024 4.500 4.470 0.009 0.000 0.284 622 S C -0.287 174.245 174.600 -0.114 0.000 1.327 622 S CA -0.014 58.077 58.200 -0.181 0.000 1.055 622 S CB 0.181 63.179 63.200 -0.337 0.000 0.868 622 S HN 0.724 nan 8.310 nan 0.000 0.506 623 N N 1.849 120.483 118.700 -0.111 0.000 2.308 623 N HA 0.517 5.262 4.740 0.009 0.000 0.283 623 N C -1.771 173.770 175.510 0.050 0.000 1.105 623 N CA -0.559 52.474 53.050 -0.028 0.000 0.840 623 N CB 0.979 39.479 38.487 0.023 0.000 1.633 623 N HN 0.522 nan 8.380 nan 0.000 0.476 624 L N 2.240 123.487 121.223 0.041 0.000 2.446 624 L HA 0.552 4.898 4.340 0.009 0.000 0.268 624 L C -1.201 175.618 176.870 -0.085 0.000 0.975 624 L CA -0.373 54.514 54.840 0.078 0.000 0.848 624 L CB 1.595 43.666 42.059 0.021 0.000 1.225 624 L HN 0.605 nan 8.230 nan 0.000 0.410 625 S N 1.210 116.812 115.700 -0.164 0.000 2.478 625 S HA 0.525 5.000 4.470 0.009 0.000 0.312 625 S C -0.180 174.104 174.600 -0.527 0.000 1.094 625 S CA -0.459 57.461 58.200 -0.467 0.000 1.081 625 S CB 1.480 64.218 63.200 -0.770 0.000 1.007 625 S HN 0.614 nan 8.310 nan 0.000 0.475 626 T N 1.748 116.006 114.554 -0.494 0.000 3.029 626 T HA 0.459 4.814 4.350 0.009 0.000 0.346 626 T C -0.536 173.979 174.700 -0.308 0.000 1.211 626 T CA -0.481 61.418 62.100 -0.336 0.000 1.009 626 T CB -0.630 68.068 68.868 -0.284 0.000 1.084 626 T HN 0.309 nan 8.240 nan 0.000 0.536 627 F N 2.823 122.734 119.950 -0.064 0.000 2.541 627 F HA 0.366 4.898 4.527 0.008 0.000 0.351 627 F C 1.279 177.032 175.800 -0.077 0.000 1.209 627 F CA -1.389 56.578 58.000 -0.055 0.000 1.277 627 F CB -0.611 38.364 39.000 -0.041 0.000 1.632 627 F HN 0.479 nan 8.300 nan 0.000 0.619 628 N N -0.089 118.645 118.700 0.056 0.000 2.188 628 N HA -0.165 4.581 4.740 0.009 0.000 0.184 628 N C 1.950 177.455 175.510 -0.008 0.000 1.018 628 N CA 1.126 54.189 53.050 0.022 0.000 0.858 628 N CB -0.049 38.456 38.487 0.030 0.000 0.989 628 N HN 0.252 nan 8.380 nan 0.000 0.426 629 S N 0.368 116.039 115.700 -0.048 0.000 2.440 629 S HA -0.119 4.357 4.470 0.009 0.000 0.240 629 S C 1.473 175.866 174.600 -0.345 0.000 1.014 629 S CA 1.189 59.221 58.200 -0.280 0.000 0.980 629 S CB -0.215 62.708 63.200 -0.463 0.000 0.775 629 S HN 0.539 nan 8.310 nan 0.000 0.499 630 M N -1.022 118.480 119.600 -0.164 0.000 2.414 630 M HA 0.370 4.856 4.480 0.009 0.000 0.357 630 M C -1.131 175.141 176.300 -0.046 0.000 1.059 630 M CA -0.127 55.088 55.300 -0.143 0.000 0.959 630 M CB 0.536 33.033 32.600 -0.171 0.000 1.522 630 M HN -0.221 nan 8.290 nan 0.000 0.551 631 D N 2.616 123.012 120.400 -0.006 0.000 2.697 631 D HA -0.121 4.524 4.640 0.009 0.000 0.238 631 D C -0.769 175.547 176.300 0.026 0.000 1.152 631 D CA 0.842 54.855 54.000 0.022 0.000 0.666 631 D CB -0.402 40.423 40.800 0.042 0.000 1.037 631 D HN 0.472 nan 8.370 nan 0.000 0.423 632 R N 0.163 120.701 120.500 0.064 0.000 2.725 632 R HA 0.717 5.063 4.340 0.009 0.000 0.277 632 R C -0.306 176.080 176.300 0.143 0.000 0.987 632 R CA -0.843 55.307 56.100 0.084 0.000 0.901 632 R CB 1.957 32.304 30.300 0.079 0.000 1.207 632 R HN 0.220 nan 8.270 nan 0.000 0.463 633 L N 0.914 122.178 121.223 0.068 0.000 2.406 633 L HA 0.769 5.115 4.340 0.009 0.000 0.272 633 L C -1.060 175.863 176.870 0.089 0.000 0.980 633 L CA -0.487 54.381 54.840 0.048 0.000 0.831 633 L CB 1.824 43.872 42.059 -0.018 0.000 1.253 633 L HN 0.792 nan 8.230 nan 0.000 0.406 634 A N 4.098 127.002 122.820 0.140 0.000 2.330 634 A HA 0.717 5.043 4.320 0.009 0.000 0.327 634 A C -1.916 175.810 177.584 0.237 0.000 1.155 634 A CA -0.356 51.785 52.037 0.174 0.000 0.803 634 A CB 1.093 20.227 19.000 0.222 0.000 1.208 634 A HN 0.682 nan 8.150 nan 0.000 0.477 635 Y N 1.697 122.082 120.300 0.142 0.000 2.479 635 Y HA 0.568 5.125 4.550 0.011 0.000 0.338 635 Y C -2.237 173.752 175.900 0.148 0.000 1.055 635 Y CA -1.408 56.766 58.100 0.124 0.000 1.023 635 Y CB 1.662 40.234 38.460 0.187 0.000 1.287 635 Y HN 0.717 nan 8.280 nan 0.000 0.447 636 Y N 6.657 126.550 120.300 -0.678 0.000 2.373 636 Y HA 0.422 4.976 4.550 0.007 0.000 0.336 636 Y C -1.363 173.896 175.900 -1.067 0.000 0.979 636 Y CA -1.225 56.427 58.100 -0.747 0.000 1.080 636 Y CB 1.338 39.589 38.460 -0.347 0.000 1.190 636 Y HN 0.755 nan 8.280 nan 0.000 0.446 637 N N 4.884 122.476 118.700 -1.847 0.000 2.546 637 N HA 0.325 5.070 4.740 0.009 0.000 0.238 637 N C 0.281 175.018 175.510 -1.288 0.000 0.984 637 N CA 0.531 52.745 53.050 -1.392 0.000 0.935 637 N CB 1.712 39.402 38.487 -1.328 0.000 1.122 637 N HN 0.931 nan 8.380 nan 0.000 0.510 638 A N 4.419 126.678 122.820 -0.936 0.000 1.933 638 A HA -0.171 4.155 4.320 0.009 0.000 0.218 638 A C 2.130 179.566 177.584 -0.247 0.000 1.175 638 A CA 1.280 53.002 52.037 -0.525 0.000 0.628 638 A CB -0.233 18.676 19.000 -0.152 0.000 0.814 638 A HN 0.765 nan 8.150 nan 0.000 0.444 639 K N -0.264 120.026 120.400 -0.182 0.000 1.978 639 K HA -0.142 4.184 4.320 0.009 0.000 0.214 639 K C 1.717 178.289 176.600 -0.048 0.000 1.049 639 K CA 1.766 58.006 56.287 -0.078 0.000 0.939 639 K CB -0.111 32.357 32.500 -0.054 0.000 0.721 639 K HN 0.222 nan 8.250 nan 0.000 0.441 640 K N 0.605 120.976 120.400 -0.049 0.000 2.444 640 K HA -0.050 4.276 4.320 0.009 0.000 0.193 640 K C -0.577 176.102 176.600 0.132 0.000 1.024 640 K CA 0.513 56.860 56.287 0.100 0.000 1.077 640 K CB 0.061 32.734 32.500 0.288 0.000 0.833 640 K HN 0.340 nan 8.250 nan 0.000 0.517 641 D N 0.666 121.020 120.400 -0.077 0.000 3.357 641 D HA -0.227 4.418 4.640 0.009 0.000 0.238 641 D C -1.227 175.210 176.300 0.228 0.000 1.126 641 D CA 0.693 54.694 54.000 0.001 0.000 0.984 641 D CB -1.169 39.715 40.800 0.140 0.000 0.925 641 D HN 0.234 nan 8.370 nan 0.000 0.414 642 F N -0.297 119.645 119.950 -0.014 0.000 2.690 642 F HA 0.675 5.209 4.527 0.011 0.000 0.311 642 F C -0.058 175.871 175.800 0.215 0.000 1.111 642 F CA -0.497 57.606 58.000 0.171 0.000 1.003 642 F CB 0.641 39.709 39.000 0.114 0.000 1.283 642 F HN 0.164 nan 8.300 nan 0.000 0.442 643 G N 1.324 110.491 108.800 0.612 0.000 2.491 643 G HA2 0.678 4.643 3.960 0.009 0.000 0.327 643 G HA3 0.678 4.643 3.960 0.009 0.000 0.327 643 G C -2.383 173.008 174.900 0.818 0.000 1.189 643 G CA -0.908 44.506 45.100 0.523 0.000 0.956 643 G HN 0.990 nan 8.290 nan 0.000 0.491 644 F N 0.196 120.455 119.950 0.514 0.000 2.615 644 F HA 0.680 5.212 4.527 0.008 0.000 0.312 644 F C -0.486 175.582 175.800 0.447 0.000 1.119 644 F CA -0.889 57.456 58.000 0.576 0.000 0.979 644 F CB 1.795 41.171 39.000 0.626 0.000 1.266 644 F HN 0.787 nan 8.300 nan 0.000 0.444 645 A N 6.199 128.881 122.820 -0.230 0.000 2.401 645 A HA 0.857 5.183 4.320 0.009 0.000 0.310 645 A C -2.191 175.115 177.584 -0.463 0.000 1.075 645 A CA -0.737 51.170 52.037 -0.216 0.000 0.746 645 A CB 1.727 20.698 19.000 -0.047 0.000 1.277 645 A HN 0.827 nan 8.150 nan 0.000 0.425 646 L N 2.075 123.127 121.223 -0.285 0.000 2.406 646 L HA 0.534 4.880 4.340 0.009 0.000 0.272 646 L C -0.248 176.553 176.870 -0.116 0.000 0.980 646 L CA -0.439 54.229 54.840 -0.287 0.000 0.831 646 L CB 2.323 44.140 42.059 -0.404 0.000 1.253 646 L HN 0.872 nan 8.230 nan 0.000 0.406 647 S N 5.117 120.801 115.700 -0.027 0.000 2.566 647 S HA 0.751 5.227 4.470 0.009 0.000 0.324 647 S C -0.638 173.997 174.600 0.059 0.000 1.081 647 S CA -0.748 57.478 58.200 0.044 0.000 1.105 647 S CB 1.037 64.322 63.200 0.141 0.000 0.981 647 S HN 0.476 nan 8.310 nan 0.000 0.464 648 L N 2.609 123.866 121.223 0.057 0.000 2.211 648 L HA 0.751 5.097 4.340 0.009 0.000 0.259 648 L C -0.005 177.002 176.870 0.229 0.000 1.031 648 L CA -1.279 53.640 54.840 0.132 0.000 0.877 648 L CB 1.250 43.337 42.059 0.048 0.000 1.457 648 L HN 0.882 nan 8.230 nan 0.000 0.466 649 H N -0.848 118.317 119.070 0.158 0.000 3.064 649 H HA 0.653 5.214 4.556 0.009 0.000 0.352 649 H C -1.566 173.864 175.328 0.170 0.000 1.260 649 H CA -0.456 55.681 56.048 0.147 0.000 1.160 649 H CB 1.763 31.629 29.762 0.174 0.000 1.879 649 H HN 0.689 nan 8.280 nan 0.000 0.544 650 S N 1.365 117.120 115.700 0.091 0.000 3.132 650 S HA 0.325 4.800 4.470 0.009 0.000 0.322 650 S C 0.736 175.415 174.600 0.132 0.000 1.124 650 S CA -0.816 57.415 58.200 0.050 0.000 0.906 650 S CB 1.949 65.180 63.200 0.052 0.000 1.349 650 S HN 0.585 nan 8.310 nan 0.000 0.686 651 K N 0.566 121.024 120.400 0.097 0.000 2.283 651 K HA 0.122 4.447 4.320 0.009 0.000 0.202 651 K C 2.058 178.707 176.600 0.081 0.000 1.048 651 K CA 0.923 57.267 56.287 0.095 0.000 0.948 651 K CB -0.125 32.420 32.500 0.075 0.000 0.742 651 K HN 0.518 nan 8.250 nan 0.000 0.458 652 R N -0.279 120.260 120.500 0.065 0.000 2.276 652 R HA 0.032 4.378 4.340 0.009 0.000 0.196 652 R C 0.365 176.684 176.300 0.031 0.000 0.961 652 R CA 0.845 56.967 56.100 0.037 0.000 1.024 652 R CB 0.097 30.401 30.300 0.006 0.000 0.940 652 R HN 0.076 nan 8.270 nan 0.000 0.480 653 T N -1.913 112.684 114.554 0.072 0.000 2.909 653 T HA 0.436 4.792 4.350 0.009 0.000 0.299 653 T C -0.685 174.093 174.700 0.130 0.000 1.073 653 T CA -1.051 61.091 62.100 0.070 0.000 0.999 653 T CB 1.942 70.842 68.868 0.053 0.000 1.098 653 T HN -0.033 nan 8.240 nan 0.000 0.477 654 L N 3.043 124.305 121.223 0.065 0.000 2.417 654 L HA 0.336 4.682 4.340 0.009 0.000 0.268 654 L C 1.625 178.503 176.870 0.013 0.000 1.158 654 L CA -0.200 54.661 54.840 0.036 0.000 0.819 654 L CB 0.544 42.590 42.059 -0.021 0.000 1.112 654 L HN 0.884 nan 8.230 nan 0.000 0.458 655 N N 2.187 120.825 118.700 -0.103 0.000 2.244 655 N HA -0.097 4.648 4.740 0.009 0.000 0.183 655 N C -0.406 175.181 175.510 0.129 0.000 1.016 655 N CA 1.508 54.447 53.050 -0.185 0.000 0.866 655 N CB -0.366 37.886 38.487 -0.392 0.000 0.980 655 N HN 0.655 nan 8.380 nan 0.000 0.430 656 Y N -2.863 117.396 120.300 -0.069 0.000 2.774 656 Y HA 0.523 5.079 4.550 0.009 0.000 0.346 656 Y C -1.929 173.939 175.900 -0.054 0.000 1.222 656 Y CA -1.531 56.525 58.100 -0.073 0.000 1.088 656 Y CB 0.655 39.070 38.460 -0.075 0.000 1.354 656 Y HN -0.009 nan 8.280 nan 0.000 0.455 657 E N 1.328 121.383 120.200 -0.241 0.000 2.216 657 E HA 0.579 4.935 4.350 0.009 0.000 0.260 657 E C -1.188 175.321 176.600 -0.152 0.000 0.880 657 E CA -1.019 55.206 56.400 -0.291 0.000 0.765 657 E CB 1.452 31.127 29.700 -0.041 0.000 1.174 657 E HN 1.088 nan 8.360 nan 0.000 0.417 658 G N 5.038 113.686 108.800 -0.254 0.000 2.522 658 G HA2 0.536 4.501 3.960 0.009 0.000 0.318 658 G HA3 0.536 4.501 3.960 0.009 0.000 0.318 658 G C -0.702 174.179 174.900 -0.032 0.000 1.192 658 G CA -0.383 44.699 45.100 -0.030 0.000 0.988 658 G HN 0.464 nan 8.290 nan 0.000 0.480 659 M N 2.372 121.979 119.600 0.012 0.000 2.501 659 M HA 0.282 4.768 4.480 0.009 0.000 0.293 659 M C -0.580 175.731 176.300 0.018 0.000 1.192 659 M CA -0.726 54.586 55.300 0.019 0.000 0.886 659 M CB 2.084 34.721 32.600 0.061 0.000 1.710 659 M HN 0.516 nan 8.290 nan 0.000 0.457 660 N N 2.357 121.059 118.700 0.003 0.000 2.725 660 N HA -0.181 4.565 4.740 0.009 0.000 0.251 660 N C -0.987 174.519 175.510 -0.006 0.000 1.031 660 N CA 1.492 54.537 53.050 -0.008 0.000 0.720 660 N CB -1.450 37.026 38.487 -0.018 0.000 0.930 660 N HN 0.875 nan 8.380 nan 0.000 0.543 661 D N -1.551 118.850 120.400 0.002 0.000 2.800 661 D HA -0.182 4.464 4.640 0.009 0.000 0.232 661 D C -0.436 175.868 176.300 0.006 0.000 1.137 661 D CA 1.252 55.256 54.000 0.006 0.000 0.718 661 D CB -0.717 40.085 40.800 0.003 0.000 1.084 661 D HN 0.675 nan 8.370 nan 0.000 0.432 662 E N 0.108 120.312 120.200 0.006 0.000 2.288 662 E HA 0.372 4.727 4.350 0.009 0.000 0.268 662 E C 0.426 177.022 176.600 -0.007 0.000 0.885 662 E CA -0.808 55.593 56.400 0.002 0.000 0.767 662 E CB 1.560 31.263 29.700 0.005 0.000 1.220 662 E HN 0.145 nan 8.360 nan 0.000 0.427 663 N N 1.378 120.052 118.700 -0.043 0.000 2.738 663 N HA -0.220 4.525 4.740 0.009 0.000 0.249 663 N C 0.879 176.325 175.510 -0.106 0.000 1.047 663 N CA 0.493 53.485 53.050 -0.097 0.000 0.707 663 N CB -0.399 38.067 38.487 -0.035 0.000 0.937 663 N HN 0.676 nan 8.380 nan 0.000 0.545 664 T N -2.721 111.754 114.554 -0.132 0.000 3.025 664 T HA -0.079 4.277 4.350 0.009 0.000 0.270 664 T C 1.422 175.880 174.700 -0.404 0.000 1.126 664 T CA 1.066 63.095 62.100 -0.119 0.000 1.105 664 T CB 0.074 68.909 68.868 -0.056 0.000 0.884 664 T HN 0.344 nan 8.240 nan 0.000 0.522 665 R N -0.460 119.569 120.500 -0.785 0.000 2.535 665 R HA 0.423 4.768 4.340 0.009 0.000 0.323 665 R C 1.917 177.188 176.300 -1.716 0.000 0.979 665 R CA 0.278 55.306 56.100 -1.786 0.000 1.120 665 R CB 0.184 29.703 30.300 -1.303 0.000 1.306 665 R HN 0.384 nan 8.270 nan 0.000 0.540 666 G N 0.028 108.182 108.800 -1.076 0.000 3.094 666 G HA2 -0.133 3.833 3.960 0.009 0.000 0.208 666 G HA3 -0.133 3.833 3.960 0.009 0.000 0.208 666 G C 0.500 174.434 174.900 -1.611 0.000 1.189 666 G CA -0.162 44.387 45.100 -0.918 0.000 0.856 666 G HN 0.292 nan 8.290 nan 0.000 0.510 667 W N 0.297 120.647 121.300 -1.583 0.000 2.290 667 W HA -0.165 4.501 4.660 0.010 0.000 0.318 667 W C 0.834 176.756 176.519 -0.995 0.000 1.248 667 W CA 0.722 57.049 57.345 -1.698 0.000 1.263 667 W CB -1.030 27.479 29.460 -1.585 0.000 1.147 667 W HN 0.378 nan 8.180 nan 0.000 0.494 668 Y N 0.624 120.817 120.300 -0.179 0.000 2.720 668 Y HA 0.153 4.708 4.550 0.009 0.000 0.277 668 Y C 1.977 177.872 175.900 -0.007 0.000 1.144 668 Y CA -0.073 58.020 58.100 -0.011 0.000 1.221 668 Y CB -1.304 37.199 38.460 0.071 0.000 1.163 668 Y HN -0.109 nan 8.280 nan 0.000 0.537 669 T N -4.288 110.289 114.554 0.038 0.000 3.160 669 T HA 0.096 4.452 4.350 0.009 0.000 0.257 669 T C 1.718 176.514 174.700 0.159 0.000 1.147 669 T CA 0.944 63.108 62.100 0.107 0.000 1.064 669 T CB -0.031 68.887 68.868 0.083 0.000 0.949 669 T HN 0.427 nan 8.240 nan 0.000 0.526 670 G N 0.518 109.430 108.800 0.187 0.000 3.377 670 G HA2 0.215 4.181 3.960 0.009 0.000 0.257 670 G HA3 0.215 4.181 3.960 0.009 0.000 0.257 670 G C -0.084 175.038 174.900 0.371 0.000 1.038 670 G CA -0.428 44.815 45.100 0.239 0.000 0.809 670 G HN 0.355 nan 8.290 nan 0.000 0.526 671 D N 1.436 122.016 120.400 0.299 0.000 3.057 671 D HA 0.363 5.008 4.640 0.009 0.000 0.246 671 D C 1.364 177.709 176.300 0.074 0.000 1.238 671 D CA 0.303 54.415 54.000 0.186 0.000 0.949 671 D CB -0.071 40.740 40.800 0.018 0.000 1.086 671 D HN 0.289 nan 8.370 nan 0.000 0.487 672 G N 1.513 110.439 108.800 0.209 0.000 2.289 672 G HA2 -0.307 3.659 3.960 0.009 0.000 0.280 672 G HA3 -0.307 3.659 3.960 0.009 0.000 0.280 672 G C 0.185 175.279 174.900 0.323 0.000 1.089 672 G CA -0.196 45.093 45.100 0.314 0.000 0.939 672 G HN 0.404 nan 8.290 nan 0.000 0.499 673 M N 0.236 119.943 119.600 0.178 0.000 2.249 673 M HA 0.716 5.201 4.480 0.009 0.000 0.351 673 M C 0.358 176.715 176.300 0.095 0.000 1.180 673 M CA -0.906 54.455 55.300 0.102 0.000 1.127 673 M CB 0.529 33.134 32.600 0.008 0.000 1.546 673 M HN 0.499 nan 8.290 nan 0.000 0.461 674 F N 3.167 123.129 119.950 0.019 0.000 2.561 674 F HA 0.707 5.239 4.527 0.009 0.000 0.321 674 F C -2.286 173.462 175.800 -0.087 0.000 1.065 674 F CA -0.935 57.061 58.000 -0.006 0.000 0.934 674 F CB 0.959 40.155 39.000 0.327 0.000 1.215 674 F HN 0.434 nan 8.300 nan 0.000 0.471 675 Y N 3.422 123.671 120.300 -0.086 0.000 2.409 675 Y HA 0.627 5.183 4.550 0.010 0.000 0.343 675 Y C -0.708 175.292 175.900 0.166 0.000 0.973 675 Y CA -1.259 56.729 58.100 -0.187 0.000 1.064 675 Y CB 1.888 40.088 38.460 -0.434 0.000 1.207 675 Y HN 0.470 nan 8.280 nan 0.000 0.452 676 I N 3.906 124.663 120.570 0.313 0.000 2.410 676 I HA 0.215 4.390 4.170 0.009 0.000 0.286 676 I C -1.281 174.887 176.117 0.086 0.000 1.009 676 I CA -1.435 60.093 61.300 0.380 0.000 1.111 676 I CB 0.912 39.143 38.000 0.385 0.000 1.262 676 I HN 0.589 nan 8.210 nan 0.000 0.443 677 Y N 6.698 127.248 120.300 0.417 0.000 2.434 677 Y HA 0.255 4.811 4.550 0.011 0.000 0.341 677 Y C 0.750 176.821 175.900 0.286 0.000 0.965 677 Y CA -0.631 57.664 58.100 0.324 0.000 1.205 677 Y CB 0.552 39.174 38.460 0.270 0.000 1.121 677 Y HN 0.597 nan 8.280 nan 0.000 0.507 678 N N -0.826 118.024 118.700 0.250 0.000 2.992 678 N HA 0.159 4.905 4.740 0.009 0.000 0.338 678 N C 0.957 176.567 175.510 0.167 0.000 1.376 678 N CA -0.352 52.818 53.050 0.201 0.000 0.778 678 N CB -0.164 38.372 38.487 0.081 0.000 1.232 678 N HN 0.243 nan 8.380 nan 0.000 0.581 679 S N -2.305 113.465 115.700 0.116 0.000 2.603 679 S HA -0.103 4.373 4.470 0.009 0.000 0.229 679 S C 0.198 174.831 174.600 0.055 0.000 0.972 679 S CA 0.473 58.730 58.200 0.094 0.000 0.935 679 S CB -0.753 62.491 63.200 0.073 0.000 0.769 679 S HN 0.605 nan 8.310 nan 0.000 0.536 680 D N 1.942 122.355 120.400 0.022 0.000 2.558 680 D HA 0.168 4.814 4.640 0.009 0.000 0.221 680 D C 0.923 177.209 176.300 -0.022 0.000 1.143 680 D CA -0.150 53.832 54.000 -0.030 0.000 1.010 680 D CB 0.088 40.846 40.800 -0.070 0.000 1.068 680 D HN 0.391 nan 8.370 nan 0.000 0.511 681 Q N 0.587 120.390 119.800 0.005 0.000 2.515 681 Q HA -0.099 4.247 4.340 0.009 0.000 0.215 681 Q C 0.842 176.694 176.000 -0.247 0.000 0.983 681 Q CA 0.800 56.626 55.803 0.039 0.000 0.905 681 Q CB 0.132 28.964 28.738 0.156 0.000 0.961 681 Q HN 0.416 nan 8.270 nan 0.000 0.503 682 S N -2.431 112.990 115.700 -0.465 0.000 2.741 682 S HA 0.056 4.531 4.470 0.009 0.000 0.247 682 S C 0.776 175.139 174.600 -0.394 0.000 1.050 682 S CA -0.491 57.244 58.200 -0.775 0.000 1.025 682 S CB 0.193 62.825 63.200 -0.947 0.000 0.897 682 S HN 0.397 nan 8.310 nan 0.000 0.508 683 H N 0.964 119.781 119.070 -0.421 0.000 2.389 683 H HA 0.025 4.587 4.556 0.009 0.000 0.299 683 H C 0.777 175.583 175.328 -0.869 0.000 1.081 683 H CA 2.100 57.771 56.048 -0.628 0.000 1.345 683 H CB -0.066 29.216 29.762 -0.801 0.000 1.393 683 H HN 0.568 nan 8.280 nan 0.000 0.520 684 Y N -0.526 119.566 120.300 -0.346 0.000 2.462 684 Y HA 0.286 4.841 4.550 0.008 0.000 0.261 684 Y C 1.188 177.053 175.900 -0.058 0.000 1.146 684 Y CA -0.024 57.762 58.100 -0.523 0.000 1.283 684 Y CB 0.440 38.761 38.460 -0.231 0.000 1.090 684 Y HN 0.060 nan 8.280 nan 0.000 0.526 685 S N -0.379 115.354 115.700 0.055 0.000 2.677 685 S HA 0.142 4.618 4.470 0.009 0.000 0.290 685 S C 0.155 174.824 174.600 0.114 0.000 1.124 685 S CA -0.771 57.543 58.200 0.190 0.000 1.017 685 S CB 0.450 63.747 63.200 0.162 0.000 1.215 685 S HN 0.434 nan 8.310 nan 0.000 0.524 686 N N 1.421 120.206 118.700 0.142 0.000 2.681 686 N HA -0.219 4.526 4.740 0.009 0.000 0.259 686 N C -0.960 174.576 175.510 0.043 0.000 1.066 686 N CA 0.549 53.596 53.050 -0.004 0.000 0.717 686 N CB -1.248 37.253 38.487 0.024 0.000 0.885 686 N HN 0.820 nan 8.380 nan 0.000 0.547 687 H N -1.948 117.357 119.070 0.392 0.000 2.791 687 H HA -0.232 4.330 4.556 0.010 0.000 0.302 687 H C 0.857 176.221 175.328 0.060 0.000 1.198 687 H CA 1.321 57.519 56.048 0.251 0.000 1.145 687 H CB -2.071 27.790 29.762 0.164 0.000 1.385 687 H HN 0.604 nan 8.280 nan 0.000 0.409 688 F N -0.739 119.242 119.950 0.052 0.000 2.149 688 F HA -0.008 4.526 4.527 0.011 0.000 0.294 688 F C 2.083 177.767 175.800 -0.194 0.000 1.095 688 F CA 1.044 58.990 58.000 -0.091 0.000 1.276 688 F CB -0.357 38.486 39.000 -0.262 0.000 1.023 688 F HN 0.140 nan 8.300 nan 0.000 0.480 689 W N 1.433 122.567 121.300 -0.275 0.000 2.374 689 W HA -0.064 4.601 4.660 0.008 0.000 0.288 689 W C -0.588 175.528 176.519 -0.670 0.000 1.218 689 W CA 1.108 58.145 57.345 -0.514 0.000 1.245 689 W CB -1.725 27.653 29.460 -0.137 0.000 1.126 689 W HN 0.114 nan 8.180 nan 0.000 0.545 690 P HA 0.006 nan 4.420 nan 0.000 0.235 690 P C 1.191 178.244 177.300 -0.412 0.000 1.177 690 P CA 1.748 64.482 63.100 -0.611 0.000 0.785 690 P CB -0.049 31.055 31.700 -0.992 0.000 0.885 691 T N -4.378 109.956 114.554 -0.366 0.000 3.001 691 T HA 0.156 4.512 4.350 0.009 0.000 0.251 691 T C 0.702 175.161 174.700 -0.401 0.000 1.040 691 T CA -0.190 61.774 62.100 -0.225 0.000 0.985 691 T CB -0.720 68.154 68.868 0.010 0.000 1.011 691 T HN -0.106 nan 8.240 nan 0.000 0.509 692 V N 2.713 122.184 119.914 -0.738 0.000 2.811 692 V HA 0.265 4.390 4.120 0.009 0.000 0.302 692 V C 0.243 175.904 176.094 -0.722 0.000 1.063 692 V CA -0.721 60.890 62.300 -1.148 0.000 1.088 692 V CB 0.598 31.469 31.823 -1.586 0.000 0.982 692 V HN 0.645 nan 8.190 nan 0.000 0.485 693 N N 7.391 125.697 118.700 -0.657 0.000 2.402 693 N HA 0.244 4.989 4.740 0.009 0.000 0.259 693 N C -1.512 173.868 175.510 -0.217 0.000 1.167 693 N CA -1.272 51.592 53.050 -0.310 0.000 0.949 693 N CB 0.945 39.299 38.487 -0.221 0.000 1.212 693 N HN 0.541 nan 8.380 nan 0.000 0.493 694 P HA -0.188 nan 4.420 nan 0.000 0.220 694 P C 0.222 177.425 177.300 -0.161 0.000 1.144 694 P CA 1.349 64.236 63.100 -0.355 0.000 0.800 694 P CB 0.049 31.306 31.700 -0.737 0.000 0.772 695 Y N 0.721 121.114 120.300 0.155 0.000 2.231 695 Y HA 0.046 4.602 4.550 0.010 0.000 0.294 695 Y C 1.718 177.726 175.900 0.180 0.000 1.120 695 Y CA 0.965 59.239 58.100 0.290 0.000 1.141 695 Y CB -0.457 38.121 38.460 0.197 0.000 1.022 695 Y HN -0.202 nan 8.280 nan 0.000 0.523 696 K N 0.941 121.450 120.400 0.181 0.000 2.535 696 K HA 0.176 4.502 4.320 0.009 0.000 0.242 696 K C -0.607 175.986 176.600 -0.011 0.000 1.210 696 K CA -0.190 56.136 56.287 0.065 0.000 1.178 696 K CB -0.042 32.464 32.500 0.009 0.000 1.778 696 K HN 0.098 nan 8.250 nan 0.000 0.372 697 M N 1.315 120.931 119.600 0.026 0.000 2.219 697 M HA 0.104 4.589 4.480 0.009 0.000 0.353 697 M C 0.489 176.755 176.300 -0.057 0.000 1.304 697 M CA -1.034 54.247 55.300 -0.032 0.000 1.115 697 M CB 0.352 32.975 32.600 0.039 0.000 1.664 697 M HN 0.396 nan 8.290 nan 0.000 0.459 698 A N 2.946 125.663 122.820 -0.171 0.000 2.561 698 A HA 0.403 4.729 4.320 0.009 0.000 0.251 698 A C 1.383 178.946 177.584 -0.034 0.000 1.062 698 A CA 0.780 52.674 52.037 -0.238 0.000 0.761 698 A CB -0.953 17.627 19.000 -0.700 0.000 0.986 698 A HN 1.427 nan 8.150 nan 0.000 0.510 699 G N 2.039 110.997 108.800 0.263 0.000 2.205 699 G HA2 -0.214 3.751 3.960 0.009 0.000 0.261 699 G HA3 -0.214 3.751 3.960 0.009 0.000 0.261 699 G C 0.634 175.731 174.900 0.327 0.000 0.980 699 G CA 1.189 46.581 45.100 0.487 0.000 0.632 699 G HN 2.145 nan 8.290 nan 0.000 0.533 700 T N -1.220 113.436 114.554 0.171 0.000 2.913 700 T HA 0.598 4.953 4.350 0.009 0.000 0.287 700 T C 0.006 174.735 174.700 0.049 0.000 1.008 700 T CA 0.475 62.627 62.100 0.087 0.000 1.067 700 T CB 2.079 70.973 68.868 0.043 0.000 0.996 700 T HN 0.294 nan 8.240 nan 0.000 0.513 701 T N 3.403 117.961 114.554 0.007 0.000 2.772 701 T HA 0.511 4.866 4.350 0.009 0.000 0.288 701 T C -0.491 174.296 174.700 0.144 0.000 0.994 701 T CA -0.668 61.511 62.100 0.131 0.000 0.951 701 T CB 0.721 69.740 68.868 0.251 0.000 0.933 701 T HN 0.687 nan 8.240 nan 0.000 0.447 702 E N 2.087 122.352 120.200 0.109 0.000 2.433 702 E HA 0.515 4.871 4.350 0.009 0.000 0.264 702 E C -0.705 175.950 176.600 0.091 0.000 0.960 702 E CA -1.009 55.419 56.400 0.048 0.000 0.866 702 E CB 1.747 31.304 29.700 -0.238 0.000 1.615 702 E HN 0.326 nan 8.360 nan 0.000 0.442 703 K N 0.941 121.393 120.400 0.087 0.000 2.221 703 K HA 0.220 4.546 4.320 0.009 0.000 0.243 703 K C 0.001 176.681 176.600 0.134 0.000 0.968 703 K CA -0.502 55.854 56.287 0.115 0.000 0.846 703 K CB 1.032 33.612 32.500 0.132 0.000 1.141 703 K HN 0.444 nan 8.250 nan 0.000 0.434 704 D N 0.073 120.526 120.400 0.088 0.000 2.349 704 D HA -0.007 4.639 4.640 0.009 0.000 0.224 704 D C 0.364 176.677 176.300 0.022 0.000 1.029 704 D CA -0.184 53.839 54.000 0.039 0.000 0.879 704 D CB -0.223 40.563 40.800 -0.024 0.000 0.906 704 D HN 0.462 nan 8.370 nan 0.000 0.528 705 A N 1.117 123.998 122.820 0.102 0.000 2.580 705 A HA 0.092 4.418 4.320 0.009 0.000 0.244 705 A C 0.634 178.289 177.584 0.118 0.000 1.045 705 A CA -0.164 51.939 52.037 0.109 0.000 0.761 705 A CB -0.213 18.894 19.000 0.179 0.000 0.962 705 A HN 0.352 nan 8.150 nan 0.000 0.512 706 K N 2.920 123.338 120.400 0.030 0.000 2.448 706 K HA 0.187 4.513 4.320 0.009 0.000 0.278 706 K C -0.091 176.511 176.600 0.003 0.000 1.009 706 K CA 0.393 56.692 56.287 0.019 0.000 0.995 706 K CB 0.498 32.986 32.500 -0.020 0.000 0.917 706 K HN 0.637 nan 8.250 nan 0.000 0.481 707 R N 2.520 122.957 120.500 -0.105 0.000 2.828 707 R HA 0.334 4.680 4.340 0.009 0.000 0.264 707 R C -0.817 175.232 176.300 -0.419 0.000 1.022 707 R CA -1.004 54.709 56.100 -0.645 0.000 1.021 707 R CB 1.486 30.608 30.300 -1.964 0.000 1.163 707 R HN 0.780 nan 8.270 nan 0.000 0.494 708 E N 0.705 120.675 120.200 -0.384 0.000 2.179 708 E HA 0.206 4.562 4.350 0.009 0.000 0.275 708 E C -1.125 175.556 176.600 0.135 0.000 0.945 708 E CA -0.537 55.826 56.400 -0.062 0.000 0.792 708 E CB 0.966 30.642 29.700 -0.040 0.000 1.125 708 E HN 0.227 nan 8.360 nan 0.000 0.397 709 D N 1.889 122.442 120.400 0.255 0.000 2.472 709 D HA 0.018 4.664 4.640 0.009 0.000 0.237 709 D C -0.359 176.063 176.300 0.203 0.000 1.141 709 D CA 0.517 54.687 54.000 0.282 0.000 0.875 709 D CB 0.525 41.406 40.800 0.135 0.000 1.192 709 D HN 0.208 nan 8.370 nan 0.000 0.450 710 T N 2.664 117.340 114.554 0.203 0.000 2.987 710 T HA 0.240 4.595 4.350 0.009 0.000 0.288 710 T C 0.141 174.884 174.700 0.072 0.000 0.981 710 T CA -0.226 61.960 62.100 0.143 0.000 1.031 710 T CB -0.104 68.870 68.868 0.176 0.000 0.976 710 T HN 0.187 nan 8.240 nan 0.000 0.612 711 T N 2.489 117.077 114.554 0.058 0.000 2.925 711 T HA 0.308 4.664 4.350 0.009 0.000 0.285 711 T C 1.492 176.207 174.700 0.025 0.000 1.021 711 T CA -0.939 61.182 62.100 0.036 0.000 1.042 711 T CB 2.225 71.113 68.868 0.035 0.000 1.037 711 T HN 0.369 nan 8.240 nan 0.000 0.481 712 K N 0.989 121.398 120.400 0.015 0.000 2.032 712 K HA -0.123 4.203 4.320 0.009 0.000 0.209 712 K C 0.970 177.577 176.600 0.011 0.000 1.048 712 K CA 1.451 57.743 56.287 0.009 0.000 0.927 712 K CB -0.007 32.494 32.500 0.002 0.000 0.712 712 K HN 0.770 nan 8.250 nan 0.000 0.441 723 K N 0.754 121.167 120.400 0.021 0.000 2.160 723 K HA -0.148 4.177 4.320 0.009 0.000 0.206 723 K C 1.705 178.348 176.600 0.072 0.000 1.047 723 K CA 1.438 57.737 56.287 0.020 0.000 0.930 723 K CB -0.123 32.372 32.500 -0.009 0.000 0.720 723 K HN 0.577 nan 8.250 nan 0.000 0.450 724 E N 1.337 121.583 120.200 0.077 0.000 2.086 724 E HA -0.210 4.146 4.350 0.009 0.000 0.205 724 E C 0.847 177.558 176.600 0.185 0.000 1.027 724 E CA 1.549 58.015 56.400 0.109 0.000 0.830 724 E CB 0.088 29.834 29.700 0.076 0.000 0.751 724 E HN 0.077 nan 8.360 nan 0.000 0.456 725 K N -1.491 119.009 120.400 0.167 0.000 2.179 725 K HA 0.017 4.343 4.320 0.009 0.000 0.238 725 K C 0.325 177.025 176.600 0.167 0.000 1.033 725 K CA 0.947 57.377 56.287 0.237 0.000 0.926 725 K CB 0.898 33.498 32.500 0.167 0.000 1.151 725 K HN 0.188 nan 8.250 nan 0.000 0.492 726 T N -2.480 112.126 114.554 0.087 0.000 6.974 726 T HA -0.199 4.157 4.350 0.009 0.000 0.287 726 T C 0.909 175.624 174.700 0.025 0.000 2.146 726 T CA 1.769 63.871 62.100 0.003 0.000 3.451 726 T CB -2.544 66.365 68.868 0.068 0.000 1.630 726 T HN 1.607 nan 8.240 nan 0.000 1.173 727 G N 0.812 109.673 108.800 0.102 0.000 2.249 727 G HA2 -0.287 3.679 3.960 0.009 0.000 0.273 727 G HA3 -0.287 3.679 3.960 0.009 0.000 0.273 727 G C -0.216 174.879 174.900 0.324 0.000 1.036 727 G CA 0.634 45.910 45.100 0.293 0.000 0.824 727 G HN 1.042 nan 8.290 nan 0.000 0.504 728 Q N -0.139 119.741 119.800 0.135 0.000 2.655 728 Q HA 0.504 4.849 4.340 0.009 0.000 0.228 728 Q C 0.446 176.466 176.000 0.033 0.000 1.186 728 Q CA -0.226 55.550 55.803 -0.044 0.000 1.004 728 Q CB 1.308 29.897 28.738 -0.249 0.000 1.242 728 Q HN 0.734 nan 8.270 nan 0.000 0.558 729 V N -2.032 117.946 119.914 0.106 0.000 3.155 729 V HA 0.713 4.839 4.120 0.009 0.000 0.313 729 V C 0.279 176.441 176.094 0.114 0.000 1.162 729 V CA -0.984 61.383 62.300 0.110 0.000 1.048 729 V CB 1.650 33.566 31.823 0.155 0.000 1.092 729 V HN 0.502 nan 8.190 nan 0.000 0.447 730 T N -0.915 113.724 114.554 0.141 0.000 2.862 730 T HA 0.705 5.061 4.350 0.009 0.000 0.276 730 T C 0.597 175.486 174.700 0.315 0.000 0.974 730 T CA 0.051 62.276 62.100 0.209 0.000 0.966 730 T CB 1.010 69.965 68.868 0.145 0.000 1.072 730 T HN 1.536 nan 8.240 nan 0.000 0.538 731 G N -0.312 108.729 108.800 0.402 0.000 2.606 731 G HA2 0.408 4.374 3.960 0.009 0.000 0.252 731 G HA3 0.408 4.374 3.960 0.009 0.000 0.252 731 G C 0.903 175.894 174.900 0.151 0.000 1.206 731 G CA -0.086 45.174 45.100 0.266 0.000 0.861 731 G HN 0.965 nan 8.290 nan 0.000 0.561 732 T N -2.629 111.988 114.554 0.105 0.000 3.022 732 T HA 0.276 4.631 4.350 0.009 0.000 0.250 732 T C 1.144 175.886 174.700 0.070 0.000 1.060 732 T CA 0.495 62.639 62.100 0.073 0.000 1.013 732 T CB 0.266 69.160 68.868 0.045 0.000 0.982 732 T HN 0.508 nan 8.240 nan 0.000 0.508 733 S N 0.059 115.809 115.700 0.083 0.000 2.593 733 S HA 0.400 4.876 4.470 0.009 0.000 0.297 733 S C -0.027 174.643 174.600 0.116 0.000 1.112 733 S CA -0.658 57.606 58.200 0.107 0.000 1.043 733 S CB 1.445 64.732 63.200 0.146 0.000 1.054 733 S HN 0.090 nan 8.310 nan 0.000 0.516 734 D N 1.516 121.997 120.400 0.135 0.000 2.367 734 D HA 0.111 4.757 4.640 0.009 0.000 0.207 734 D C -0.211 176.182 176.300 0.155 0.000 1.034 734 D CA 0.290 54.360 54.000 0.117 0.000 0.861 734 D CB 0.068 40.925 40.800 0.096 0.000 0.943 734 D HN 0.506 nan 8.370 nan 0.000 0.515 735 F N 2.251 122.232 119.950 0.053 0.000 2.661 735 F HA 0.176 4.709 4.527 0.010 0.000 0.356 735 F C -0.513 175.353 175.800 0.110 0.000 1.244 735 F CA -0.178 57.864 58.000 0.071 0.000 1.290 735 F CB -0.221 38.842 39.000 0.105 0.000 1.677 735 F HN -0.392 nan 8.300 nan 0.000 0.649 736 V N 2.469 122.335 119.914 -0.080 0.000 2.711 736 V HA 0.897 5.023 4.120 0.009 0.000 0.304 736 V C -0.034 176.046 176.094 -0.023 0.000 1.097 736 V CA -0.427 61.856 62.300 -0.028 0.000 0.906 736 V CB 1.248 33.101 31.823 0.049 0.000 1.015 736 V HN 0.678 nan 8.190 nan 0.000 0.427 737 G N 2.669 111.472 108.800 0.005 0.000 2.322 737 G HA2 0.689 4.654 3.960 0.009 0.000 0.295 737 G HA3 0.689 4.654 3.960 0.009 0.000 0.295 737 G C -1.085 173.825 174.900 0.017 0.000 1.369 737 G CA 0.113 45.282 45.100 0.115 0.000 0.821 737 G HN 1.434 nan 8.290 nan 0.000 0.536 738 S N -2.136 113.462 115.700 -0.170 0.000 2.556 738 S HA 0.852 5.328 4.470 0.009 0.000 0.271 738 S C -1.544 172.732 174.600 -0.539 0.000 1.135 738 S CA -0.383 57.674 58.200 -0.238 0.000 0.858 738 S CB 1.936 65.046 63.200 -0.150 0.000 1.114 738 S HN 2.146 nan 8.310 nan 0.000 0.468 739 V N 1.754 121.460 119.914 -0.347 0.000 2.888 739 V HA 0.819 4.945 4.120 0.009 0.000 0.309 739 V C -1.626 174.367 176.094 -0.168 0.000 1.114 739 V CA -0.738 61.353 62.300 -0.348 0.000 0.940 739 V CB 2.099 33.761 31.823 -0.269 0.000 1.021 739 V HN 1.273 nan 8.190 nan 0.000 0.426 740 K N 5.637 125.952 120.400 -0.141 0.000 2.259 740 K HA 0.571 4.896 4.320 0.009 0.000 0.252 740 K C -0.092 176.502 176.600 -0.010 0.000 0.936 740 K CA -0.728 55.519 56.287 -0.067 0.000 0.810 740 K CB 2.303 34.750 32.500 -0.088 0.000 1.143 740 K HN 0.602 nan 8.250 nan 0.000 0.427 741 L N 1.303 122.558 121.223 0.054 0.000 2.102 741 L HA 0.002 4.347 4.340 0.009 0.000 0.202 741 L C -0.134 176.790 176.870 0.090 0.000 1.076 741 L CA 1.237 56.122 54.840 0.076 0.000 0.761 741 L CB -0.148 41.974 42.059 0.104 0.000 0.921 741 L HN 1.076 nan 8.230 nan 0.000 0.444 742 N N -3.978 114.802 118.700 0.134 0.000 3.364 742 N HA 0.072 4.818 4.740 0.009 0.000 0.294 742 N C -0.612 174.943 175.510 0.074 0.000 1.562 742 N CA -0.634 52.491 53.050 0.125 0.000 0.862 742 N CB -0.078 38.534 38.487 0.208 0.000 1.691 742 N HN -0.308 nan 8.380 nan 0.000 0.572 743 D N -1.428 118.993 120.400 0.036 0.000 2.379 743 D HA 0.032 4.678 4.640 0.009 0.000 0.243 743 D C -0.078 176.039 176.300 -0.306 0.000 1.088 743 D CA 1.067 55.002 54.000 -0.108 0.000 0.925 743 D CB -0.277 40.434 40.800 -0.149 0.000 0.888 743 D HN 0.536 nan 8.370 nan 0.000 0.529 744 H N -2.563 116.489 119.070 -0.030 0.000 3.771 744 H HA 0.251 4.812 4.556 0.008 0.000 0.260 744 H C -0.586 174.318 175.328 -0.706 0.000 1.158 744 H CA -0.119 55.763 56.048 -0.276 0.000 1.170 744 H CB 0.705 30.267 29.762 -0.332 0.000 1.539 744 H HN -0.099 nan 8.280 nan 0.000 0.634 745 F N 0.857 120.795 119.950 -0.020 0.000 2.539 745 F HA 0.731 5.263 4.527 0.010 0.000 0.318 745 F C -0.262 175.473 175.800 -0.108 0.000 1.135 745 F CA -0.850 57.109 58.000 -0.070 0.000 0.915 745 F CB 1.951 40.945 39.000 -0.010 0.000 1.176 745 F HN 0.012 nan 8.300 nan 0.000 0.440 746 A N 2.677 125.500 122.820 0.005 0.000 2.609 746 A HA 0.878 5.203 4.320 0.009 0.000 0.291 746 A C -2.494 175.084 177.584 -0.010 0.000 1.096 746 A CA -0.671 51.344 52.037 -0.036 0.000 0.684 746 A CB 1.949 20.873 19.000 -0.127 0.000 1.282 746 A HN 0.691 nan 8.150 nan 0.000 0.412 747 L N 0.482 121.703 121.223 -0.004 0.000 2.410 747 L HA 0.899 5.244 4.340 0.009 0.000 0.270 747 L C -0.281 176.613 176.870 0.040 0.000 0.983 747 L CA 0.031 54.894 54.840 0.037 0.000 0.822 747 L CB 1.717 43.809 42.059 0.054 0.000 1.285 747 L HN 1.507 nan 8.230 nan 0.000 0.409 748 A N 3.757 126.661 122.820 0.140 0.000 2.414 748 A HA 1.021 5.346 4.320 0.009 0.000 0.306 748 A C -1.268 176.526 177.584 0.349 0.000 1.054 748 A CA 0.000 52.154 52.037 0.194 0.000 0.724 748 A CB 1.690 20.799 19.000 0.182 0.000 1.267 748 A HN 1.260 nan 8.150 nan 0.000 0.418 749 A N 1.856 124.825 122.820 0.247 0.000 2.475 749 A HA 0.849 5.175 4.320 0.009 0.000 0.301 749 A C -0.873 176.877 177.584 0.278 0.000 1.059 749 A CA -0.346 51.840 52.037 0.249 0.000 0.710 749 A CB 1.495 20.508 19.000 0.021 0.000 1.288 749 A HN 1.205 nan 8.150 nan 0.000 0.408 750 M N 2.237 122.074 119.600 0.396 0.000 2.183 750 M HA 0.281 4.766 4.480 0.009 0.000 0.277 750 M C -1.876 174.642 176.300 0.364 0.000 0.995 750 M CA -0.519 55.004 55.300 0.372 0.000 0.969 750 M CB 1.567 34.477 32.600 0.516 0.000 1.659 750 M HN 0.735 nan 8.290 nan 0.000 0.462 751 D N 4.337 124.943 120.400 0.343 0.000 2.344 751 D HA 0.206 4.851 4.640 0.009 0.000 0.253 751 D C -1.164 175.310 176.300 0.290 0.000 1.255 751 D CA 0.505 54.697 54.000 0.322 0.000 0.894 751 D CB 0.209 41.203 40.800 0.324 0.000 1.067 751 D HN 0.305 nan 8.370 nan 0.000 0.492 752 F N 2.393 122.424 119.950 0.135 0.000 2.408 752 F HA 0.441 4.973 4.527 0.010 0.000 0.344 752 F C -0.040 175.832 175.800 0.121 0.000 1.112 752 F CA -0.489 57.592 58.000 0.135 0.000 1.096 752 F CB 1.563 40.678 39.000 0.192 0.000 1.129 752 F HN 0.019 nan 8.300 nan 0.000 0.486 753 T N 6.901 121.065 114.554 -0.651 0.000 2.937 753 T HA 0.291 4.646 4.350 0.009 0.000 0.297 753 T C -0.539 173.654 174.700 -0.844 0.000 0.991 753 T CA -0.841 60.879 62.100 -0.634 0.000 0.990 753 T CB 0.156 68.900 68.868 -0.207 0.000 0.991 753 T HN 0.887 nan 8.240 nan 0.000 0.440 754 N N 4.141 122.324 118.700 -0.861 0.000 2.326 754 N HA 0.057 4.803 4.740 0.009 0.000 0.239 754 N C 1.959 177.484 175.510 0.025 0.000 1.301 754 N CA -0.652 52.225 53.050 -0.288 0.000 0.909 754 N CB 0.459 38.928 38.487 -0.030 0.000 1.156 754 N HN 0.820 nan 8.380 nan 0.000 0.462 755 W N 1.523 122.915 121.300 0.154 0.000 2.305 755 W HA -0.251 4.415 4.660 0.009 0.000 0.308 755 W C 0.034 176.608 176.519 0.092 0.000 1.226 755 W CA 1.789 59.233 57.345 0.165 0.000 1.253 755 W CB -1.089 28.522 29.460 0.253 0.000 1.146 755 W HN 0.704 nan 8.180 nan 0.000 0.507 756 D N -0.007 119.802 120.400 -0.984 0.000 2.615 756 D HA 0.027 4.672 4.640 0.009 0.000 0.236 756 D C 0.653 176.679 176.300 -0.456 0.000 1.233 756 D CA -0.440 53.000 54.000 -0.934 0.000 0.829 756 D CB -0.404 39.500 40.800 -1.494 0.000 1.024 756 D HN -0.147 nan 8.370 nan 0.000 0.490 757 R N -0.211 120.114 120.500 -0.291 0.000 3.460 757 R HA -0.184 4.161 4.340 0.009 0.000 0.254 757 R C 0.740 176.934 176.300 -0.176 0.000 1.028 757 R CA 1.392 57.375 56.100 -0.195 0.000 0.688 757 R CB -3.439 26.779 30.300 -0.136 0.000 1.062 757 R HN 0.572 nan 8.270 nan 0.000 0.463 758 T N -3.816 110.622 114.554 -0.193 0.000 3.084 758 T HA 0.467 4.822 4.350 0.009 0.000 0.270 758 T C 0.287 174.934 174.700 -0.087 0.000 1.008 758 T CA -0.373 61.649 62.100 -0.130 0.000 0.900 758 T CB 0.388 69.177 68.868 -0.132 0.000 1.084 758 T HN 0.111 nan 8.240 nan 0.000 0.538 759 L N 2.179 123.336 121.223 -0.109 0.000 2.516 759 L HA 0.688 5.034 4.340 0.009 0.000 0.267 759 L C -0.980 175.802 176.870 -0.146 0.000 0.957 759 L CA -0.132 54.672 54.840 -0.060 0.000 0.860 759 L CB 2.103 44.178 42.059 0.027 0.000 1.265 759 L HN 0.345 nan 8.230 nan 0.000 0.403 760 T N 2.016 116.528 114.554 -0.071 0.000 2.924 760 T HA 1.045 5.401 4.350 0.009 0.000 0.291 760 T C -0.508 174.226 174.700 0.056 0.000 1.045 760 T CA -0.370 61.684 62.100 -0.077 0.000 1.015 760 T CB 2.018 70.849 68.868 -0.062 0.000 1.103 760 T HN 1.217 nan 8.240 nan 0.000 0.496 761 A N 1.164 124.061 122.820 0.129 0.000 2.590 761 A HA 0.610 4.935 4.320 0.009 0.000 0.294 761 A C -1.767 175.919 177.584 0.169 0.000 1.046 761 A CA -1.031 51.106 52.037 0.167 0.000 0.684 761 A CB 1.186 20.359 19.000 0.288 0.000 1.279 761 A HN 0.737 nan 8.150 nan 0.000 0.415 762 Q N 1.620 121.448 119.800 0.047 0.000 2.372 762 Q HA 0.429 4.775 4.340 0.009 0.000 0.259 762 Q C -0.825 175.179 176.000 0.006 0.000 0.993 762 Q CA -0.416 55.403 55.803 0.028 0.000 0.854 762 Q CB 1.756 30.377 28.738 -0.197 0.000 1.231 762 Q HN 0.531 nan 8.270 nan 0.000 0.462 763 K N 1.355 121.786 120.400 0.052 0.000 2.221 763 K HA 0.745 5.070 4.320 0.009 0.000 0.258 763 K C -0.279 176.113 176.600 -0.346 0.000 0.944 763 K CA -0.805 55.358 56.287 -0.207 0.000 0.823 763 K CB 2.036 34.431 32.500 -0.175 0.000 1.113 763 K HN 0.640 nan 8.250 nan 0.000 0.431 764 G N 1.714 110.158 108.800 -0.594 0.000 2.612 764 G HA2 0.599 4.565 3.960 0.009 0.000 0.298 764 G HA3 0.599 4.565 3.960 0.009 0.000 0.298 764 G C -1.617 172.935 174.900 -0.581 0.000 1.336 764 G CA -0.669 44.221 45.100 -0.350 0.000 0.953 764 G HN 0.441 nan 8.290 nan 0.000 0.482 765 W N 0.961 122.257 121.300 -0.007 0.000 2.915 765 W HA 0.536 5.202 4.660 0.010 0.000 0.337 765 W C -1.118 175.318 176.519 -0.139 0.000 1.102 765 W CA -0.775 56.478 57.345 -0.153 0.000 1.224 765 W CB 2.624 32.002 29.460 -0.135 0.000 1.416 765 W HN 0.327 nan 8.180 nan 0.000 0.503 766 V N 4.327 124.228 119.914 -0.022 0.000 2.409 766 V HA 0.317 4.442 4.120 0.009 0.000 0.290 766 V C -0.192 175.829 176.094 -0.121 0.000 1.017 766 V CA -0.722 61.560 62.300 -0.028 0.000 0.841 766 V CB 1.723 33.546 31.823 0.000 0.000 1.003 766 V HN 0.396 nan 8.190 nan 0.000 0.426 767 I N 5.802 126.279 120.570 -0.156 0.000 2.294 767 I HA 0.232 4.408 4.170 0.009 0.000 0.295 767 I C 0.198 176.183 176.117 -0.220 0.000 1.098 767 I CA 0.089 61.209 61.300 -0.300 0.000 1.277 767 I CB 0.670 38.360 38.000 -0.517 0.000 1.434 767 I HN 0.513 nan 8.210 nan 0.000 0.498 768 L N 7.251 128.382 121.223 -0.154 0.000 2.719 768 L HA 0.224 4.569 4.340 0.009 0.000 0.236 768 L C 1.066 177.786 176.870 -0.250 0.000 1.285 768 L CA -0.062 54.739 54.840 -0.065 0.000 1.222 768 L CB -0.909 41.174 42.059 0.041 0.000 1.493 768 L HN 0.787 nan 8.230 nan 0.000 0.415 769 N N 1.878 120.240 118.700 -0.563 0.000 3.644 769 N HA -0.354 4.392 4.740 0.009 0.000 0.220 769 N C 0.899 176.402 175.510 -0.012 0.000 0.167 769 N CA 2.537 55.349 53.050 -0.396 0.000 3.334 769 N CB -0.783 37.408 38.487 -0.494 0.000 1.186 769 N HN 0.633 nan 8.380 nan 0.000 0.301 770 D N -0.069 120.344 120.400 0.022 0.000 2.398 770 D HA 0.225 4.871 4.640 0.009 0.000 0.210 770 D C -0.422 175.960 176.300 0.136 0.000 1.094 770 D CA 0.313 54.413 54.000 0.167 0.000 0.839 770 D CB 0.140 41.004 40.800 0.108 0.000 0.963 770 D HN 0.646 nan 8.370 nan 0.000 0.506 771 K N 0.318 120.743 120.400 0.041 0.000 2.469 771 K HA 0.558 4.884 4.320 0.009 0.000 0.254 771 K C -0.819 175.726 176.600 -0.093 0.000 0.939 771 K CA -0.674 55.602 56.287 -0.018 0.000 0.812 771 K CB 2.809 35.303 32.500 -0.011 0.000 1.301 771 K HN -0.135 nan 8.250 nan 0.000 0.433 772 I N 2.313 122.785 120.570 -0.163 0.000 2.406 772 I HA 0.337 4.513 4.170 0.009 0.000 0.290 772 I C -0.409 175.527 176.117 -0.301 0.000 0.999 772 I CA -1.038 60.057 61.300 -0.342 0.000 1.124 772 I CB 1.584 39.210 38.000 -0.624 0.000 1.289 772 I HN 0.318 nan 8.210 nan 0.000 0.441 773 V N 6.456 126.190 119.914 -0.300 0.000 2.481 773 V HA 0.393 4.518 4.120 0.009 0.000 0.286 773 V C -0.511 175.314 176.094 -0.447 0.000 1.042 773 V CA -0.399 61.789 62.300 -0.187 0.000 0.928 773 V CB 1.504 33.346 31.823 0.033 0.000 0.986 773 V HN 0.376 nan 8.190 nan 0.000 0.462 774 F N 5.205 124.952 119.950 -0.338 0.000 2.402 774 F HA 0.621 5.154 4.527 0.009 0.000 0.355 774 F C -0.308 175.405 175.800 -0.144 0.000 1.123 774 F CA -0.606 57.134 58.000 -0.433 0.000 1.021 774 F CB 1.494 39.841 39.000 -1.088 0.000 1.160 774 F HN 0.178 nan 8.300 nan 0.000 0.451 775 L N 2.576 123.731 121.223 -0.113 0.000 2.365 775 L HA 0.854 5.200 4.340 0.009 0.000 0.273 775 L C -0.057 176.392 176.870 -0.702 0.000 1.000 775 L CA -0.826 53.877 54.840 -0.228 0.000 0.819 775 L CB 1.918 43.894 42.059 -0.139 0.000 1.284 775 L HN 0.639 nan 8.230 nan 0.000 0.418 776 G N 0.889 109.005 108.800 -1.139 0.000 2.719 776 G HA2 0.665 4.631 3.960 0.009 0.000 0.298 776 G HA3 0.665 4.631 3.960 0.009 0.000 0.298 776 G C -1.358 173.215 174.900 -0.546 0.000 1.433 776 G CA -0.209 44.132 45.100 -1.266 0.000 1.034 776 G HN 0.707 nan 8.290 nan 0.000 0.517 777 S N 1.123 116.654 115.700 -0.282 0.000 2.579 777 S HA 0.616 5.092 4.470 0.009 0.000 0.272 777 S C 0.052 174.583 174.600 -0.116 0.000 1.141 777 S CA -0.658 57.449 58.200 -0.154 0.000 0.843 777 S CB 1.882 65.021 63.200 -0.101 0.000 1.122 777 S HN 1.029 nan 8.310 nan 0.000 0.468 778 N N 0.081 118.730 118.700 -0.085 0.000 2.740 778 N HA -0.124 4.622 4.740 0.009 0.000 0.248 778 N C -0.787 174.694 175.510 -0.049 0.000 1.062 778 N CA 0.700 53.709 53.050 -0.068 0.000 0.704 778 N CB -1.483 36.947 38.487 -0.095 0.000 0.968 778 N HN 0.754 nan 8.380 nan 0.000 0.547 779 I N 0.860 121.395 120.570 -0.058 0.000 2.372 779 I HA -0.028 4.148 4.170 0.009 0.000 0.298 779 I C 0.674 176.782 176.117 -0.014 0.000 1.137 779 I CA 0.256 61.533 61.300 -0.039 0.000 1.314 779 I CB 0.064 37.974 38.000 -0.151 0.000 1.444 779 I HN -0.097 nan 8.210 nan 0.000 0.541 780 K N 4.553 124.954 120.400 0.001 0.000 2.138 780 K HA 0.279 4.604 4.320 0.009 0.000 0.263 780 K C 0.061 176.665 176.600 0.007 0.000 0.965 780 K CA -0.814 55.473 56.287 -0.001 0.000 0.868 780 K CB 1.351 33.842 32.500 -0.015 0.000 1.083 780 K HN 0.263 nan 8.250 nan 0.000 0.443 781 N N 2.026 120.731 118.700 0.009 0.000 3.194 781 N HA 0.036 4.782 4.740 0.009 0.000 0.271 781 N C -1.089 174.414 175.510 -0.011 0.000 1.308 781 N CA -0.311 52.744 53.050 0.008 0.000 1.042 781 N CB 0.280 38.782 38.487 0.025 0.000 1.310 781 N HN 0.423 nan 8.380 nan 0.000 0.502 782 T N 2.801 117.338 114.554 -0.028 0.000 2.866 782 T HA -0.020 4.336 4.350 0.009 0.000 0.241 782 T C 0.204 174.880 174.700 -0.040 0.000 1.018 782 T CA 0.114 62.191 62.100 -0.038 0.000 1.368 782 T CB -1.204 67.632 68.868 -0.054 0.000 1.025 782 T HN 0.685 nan 8.240 nan 0.000 0.575 783 N N 1.028 119.711 118.700 -0.028 0.000 3.685 783 N HA -0.114 4.632 4.740 0.009 0.000 0.263 783 N C 0.659 176.160 175.510 -0.015 0.000 1.388 783 N CA 0.218 53.252 53.050 -0.026 0.000 1.420 783 N CB -1.078 37.386 38.487 -0.039 0.000 1.131 783 N HN 0.634 nan 8.380 nan 0.000 0.533 784 G N 2.532 111.328 108.800 -0.008 0.000 2.773 784 G HA2 -0.043 3.923 3.960 0.009 0.000 0.208 784 G HA3 -0.043 3.923 3.960 0.009 0.000 0.208 784 G C 0.960 175.862 174.900 0.003 0.000 1.154 784 G CA 1.027 46.127 45.100 0.000 0.000 0.769 784 G HN 0.805 nan 8.290 nan 0.000 0.555 785 I N -2.083 118.487 120.570 -0.000 0.000 2.371 785 I HA 0.725 4.901 4.170 0.009 0.000 0.290 785 I C 0.614 176.740 176.117 0.016 0.000 1.028 785 I CA -0.025 61.278 61.300 0.005 0.000 1.345 785 I CB 1.118 39.117 38.000 -0.001 0.000 1.407 785 I HN 0.291 nan 8.210 nan 0.000 0.501 786 G N 4.494 113.307 108.800 0.021 0.000 2.663 786 G HA2 -0.137 3.829 3.960 0.009 0.000 0.686 786 G HA3 -0.137 3.829 3.960 0.009 0.000 0.686 786 G C -1.338 173.583 174.900 0.036 0.000 1.288 786 G CA -0.867 44.252 45.100 0.033 0.000 0.836 786 G HN 0.958 nan 8.290 nan 0.000 0.584 787 N N -0.268 118.456 118.700 0.041 0.000 2.407 787 N HA 0.484 5.229 4.740 0.009 0.000 0.277 787 N C -0.325 175.227 175.510 0.069 0.000 0.995 787 N CA -0.555 52.523 53.050 0.045 0.000 0.903 787 N CB 2.514 41.016 38.487 0.024 0.000 1.218 787 N HN 0.518 nan 8.380 nan 0.000 0.487 788 V N 1.196 121.170 119.914 0.099 0.000 2.465 788 V HA 0.508 4.633 4.120 0.009 0.000 0.279 788 V C 0.560 176.755 176.094 0.168 0.000 1.045 788 V CA -0.376 62.016 62.300 0.152 0.000 0.938 788 V CB 1.009 32.946 31.823 0.191 0.000 0.986 788 V HN 0.862 nan 8.190 nan 0.000 0.467 789 S N 2.986 118.773 115.700 0.146 0.000 2.607 789 S HA 0.726 5.202 4.470 0.009 0.000 0.273 789 S C -0.743 173.894 174.600 0.061 0.000 1.148 789 S CA -0.646 57.556 58.200 0.003 0.000 0.833 789 S CB 2.474 65.638 63.200 -0.061 0.000 1.130 789 S HN 0.601 nan 8.310 nan 0.000 0.470 790 T N 2.240 116.729 114.554 -0.108 0.000 2.841 790 T HA 0.577 4.932 4.350 0.009 0.000 0.283 790 T C -0.813 173.805 174.700 -0.136 0.000 1.000 790 T CA -0.459 61.616 62.100 -0.042 0.000 0.977 790 T CB 1.545 70.403 68.868 -0.016 0.000 0.979 790 T HN 0.719 nan 8.240 nan 0.000 0.446 791 T N 3.955 118.464 114.554 -0.074 0.000 2.723 791 T HA 0.264 4.619 4.350 0.009 0.000 0.297 791 T C 1.533 176.177 174.700 -0.094 0.000 0.925 791 T CA -0.364 61.687 62.100 -0.082 0.000 1.030 791 T CB 0.306 69.157 68.868 -0.028 0.000 0.905 791 T HN 0.389 nan 8.240 nan 0.000 0.502 792 I N 1.729 122.162 120.570 -0.229 0.000 2.202 792 I HA 0.012 4.188 4.170 0.009 0.000 0.242 792 I C 0.909 176.942 176.117 -0.140 0.000 1.091 792 I CA 1.352 62.430 61.300 -0.369 0.000 1.368 792 I CB 0.298 37.901 38.000 -0.661 0.000 1.058 792 I HN 0.548 nan 8.210 nan 0.000 0.410 793 D N -1.137 119.175 120.400 -0.148 0.000 2.706 793 D HA 0.187 4.833 4.640 0.009 0.000 0.227 793 D C -1.382 174.908 176.300 -0.016 0.000 1.233 793 D CA -0.458 53.551 54.000 0.014 0.000 0.768 793 D CB 1.234 42.088 40.800 0.090 0.000 1.490 793 D HN -0.103 nan 8.370 nan 0.000 0.458 794 Q N 2.617 122.434 119.800 0.028 0.000 2.558 794 Q HA 0.387 4.732 4.340 0.009 0.000 0.252 794 Q C -1.120 175.047 176.000 0.278 0.000 1.015 794 Q CA -0.679 55.181 55.803 0.095 0.000 0.720 794 Q CB 1.228 29.957 28.738 -0.015 0.000 1.215 794 Q HN 0.202 nan 8.270 nan 0.000 0.500 795 R N 2.200 122.887 120.500 0.312 0.000 2.343 795 R HA 0.232 4.578 4.340 0.009 0.000 0.320 795 R C -0.822 175.667 176.300 0.315 0.000 0.956 795 R CA -0.433 55.897 56.100 0.384 0.000 0.836 795 R CB 0.941 31.355 30.300 0.190 0.000 1.151 795 R HN 0.246 nan 8.270 nan 0.000 0.450 796 K N 3.256 123.699 120.400 0.072 0.000 2.436 796 K HA -0.044 4.282 4.320 0.009 0.000 0.282 796 K C -0.355 176.089 176.600 -0.261 0.000 1.044 796 K CA -0.035 55.801 56.287 -0.751 0.000 1.028 796 K CB 0.428 32.278 32.500 -1.084 0.000 0.919 796 K HN 0.544 nan 8.250 nan 0.000 0.474 797 D N 2.285 122.547 120.400 -0.230 0.000 2.398 797 D HA 0.029 4.675 4.640 0.009 0.000 0.247 797 D C -0.763 175.418 176.300 -0.198 0.000 1.227 797 D CA -0.033 53.910 54.000 -0.095 0.000 0.980 797 D CB 0.929 41.715 40.800 -0.024 0.000 1.106 797 D HN 0.555 nan 8.370 nan 0.000 0.493 798 D N -0.318 119.951 120.400 -0.218 0.000 2.193 798 D HA 0.151 4.797 4.640 0.009 0.000 0.244 798 D C 0.563 176.782 176.300 -0.135 0.000 1.064 798 D CA -0.297 53.585 54.000 -0.197 0.000 0.845 798 D CB 1.742 42.396 40.800 -0.243 0.000 1.148 798 D HN 0.114 nan 8.370 nan 0.000 0.464 799 S N 2.977 118.614 115.700 -0.104 0.000 2.343 799 S HA -0.134 4.342 4.470 0.009 0.000 0.219 799 S C 1.588 176.152 174.600 -0.061 0.000 1.033 799 S CA 0.982 59.141 58.200 -0.068 0.000 1.014 799 S CB 0.097 63.270 63.200 -0.046 0.000 0.915 799 S HN 0.511 nan 8.310 nan 0.000 0.435 800 K N 0.327 120.690 120.400 -0.061 0.000 1.965 800 K HA -0.072 4.253 4.320 0.009 0.000 0.220 800 K C -0.020 176.543 176.600 -0.062 0.000 1.046 800 K CA 1.511 57.767 56.287 -0.051 0.000 0.974 800 K CB -0.315 32.158 32.500 -0.045 0.000 0.738 800 K HN 0.299 nan 8.250 nan 0.000 0.444 801 T N 3.877 118.378 114.554 -0.088 0.000 3.145 801 T HA 0.281 4.637 4.350 0.009 0.000 0.362 801 T C -2.535 172.072 174.700 -0.155 0.000 1.340 801 T CA -1.653 60.388 62.100 -0.097 0.000 1.069 801 T CB 1.114 69.928 68.868 -0.089 0.000 1.129 801 T HN 0.225 nan 8.240 nan 0.000 0.585 802 P HA 0.039 nan 4.420 nan 0.000 0.269 802 P C -0.465 176.778 177.300 -0.096 0.000 1.217 802 P CA -0.365 62.663 63.100 -0.118 0.000 0.783 802 P CB 0.638 32.309 31.700 -0.048 0.000 0.898 803 Y N -0.012 120.261 120.300 -0.045 0.000 2.314 803 Y HA 0.207 4.762 4.550 0.009 0.000 0.334 803 Y C 1.236 177.108 175.900 -0.047 0.000 1.266 803 Y CA 0.485 58.557 58.100 -0.047 0.000 1.391 803 Y CB 0.465 38.889 38.460 -0.061 0.000 1.306 803 Y HN 0.188 nan 8.280 nan 0.000 0.558 804 T N 1.604 116.276 114.554 0.197 0.000 2.864 804 T HA 0.148 4.504 4.350 0.009 0.000 0.310 804 T C -0.341 174.289 174.700 -0.117 0.000 1.040 804 T CA -0.696 61.397 62.100 -0.012 0.000 0.977 804 T CB 0.563 69.433 68.868 0.003 0.000 0.976 804 T HN 0.585 nan 8.240 nan 0.000 0.459 805 T N 4.061 118.508 114.554 -0.178 0.000 2.749 805 T HA 0.498 4.854 4.350 0.009 0.000 0.295 805 T C -0.953 173.586 174.700 -0.268 0.000 0.936 805 T CA -0.238 61.772 62.100 -0.150 0.000 1.060 805 T CB -0.106 68.707 68.868 -0.091 0.000 0.904 805 T HN 0.400 nan 8.240 nan 0.000 0.500 806 Y N 3.006 123.319 120.300 0.023 0.000 2.409 806 Y HA 0.634 5.189 4.550 0.009 0.000 0.339 806 Y C 0.105 175.980 175.900 -0.041 0.000 1.033 806 Y CA -0.883 57.231 58.100 0.024 0.000 1.094 806 Y CB 1.926 40.455 38.460 0.115 0.000 1.210 806 Y HN 0.387 nan 8.280 nan 0.000 0.456 807 V N 4.308 124.228 119.914 0.010 0.000 2.531 807 V HA 0.349 4.475 4.120 0.009 0.000 0.301 807 V C -0.611 175.472 176.094 -0.019 0.000 1.034 807 V CA -0.931 61.283 62.300 -0.143 0.000 0.865 807 V CB 1.209 32.624 31.823 -0.680 0.000 0.995 807 V HN 0.947 nan 8.190 nan 0.000 0.424 808 N N 4.938 123.669 118.700 0.052 0.000 2.708 808 N HA -0.212 4.534 4.740 0.009 0.000 0.251 808 N C 1.034 176.585 175.510 0.067 0.000 1.017 808 N CA 2.061 55.152 53.050 0.069 0.000 0.742 808 N CB -1.091 37.425 38.487 0.048 0.000 0.943 808 N HN 1.604 nan 8.380 nan 0.000 0.539 809 G N -2.222 106.633 108.800 0.092 0.000 2.420 809 G HA2 -0.360 3.606 3.960 0.009 0.000 0.221 809 G HA3 -0.360 3.606 3.960 0.009 0.000 0.221 809 G C 0.385 175.364 174.900 0.132 0.000 1.117 809 G CA 0.609 45.748 45.100 0.064 0.000 0.657 809 G HN 0.556 nan 8.290 nan 0.000 0.512 810 K N 0.913 121.394 120.400 0.135 0.000 2.179 810 K HA 0.661 4.987 4.320 0.009 0.000 0.238 810 K C 0.367 177.082 176.600 0.190 0.000 1.033 810 K CA 0.314 56.696 56.287 0.157 0.000 0.926 810 K CB 0.594 33.149 32.500 0.091 0.000 1.151 810 K HN 0.171 nan 8.250 nan 0.000 0.492 811 T N 1.054 115.663 114.554 0.092 0.000 2.928 811 T HA 0.498 4.854 4.350 0.009 0.000 0.284 811 T C -0.072 174.594 174.700 -0.058 0.000 1.008 811 T CA -0.598 61.442 62.100 -0.100 0.000 1.057 811 T CB 0.454 69.234 68.868 -0.147 0.000 1.018 811 T HN 0.510 nan 8.240 nan 0.000 0.493 820 Q N 0.833 120.500 119.800 -0.223 0.000 2.210 820 Q HA 0.211 4.557 4.340 0.009 0.000 0.252 820 Q C 0.189 176.111 176.000 -0.130 0.000 0.811 820 Q CA 0.136 55.874 55.803 -0.108 0.000 0.953 820 Q CB 1.321 30.007 28.738 -0.086 0.000 1.136 820 Q HN 0.731 nan 8.270 nan 0.000 0.491 821 Q N -0.162 119.462 119.800 -0.295 0.000 2.268 821 Q HA 0.457 4.803 4.340 0.009 0.000 0.266 821 Q C -1.833 173.936 176.000 -0.385 0.000 1.006 821 Q CA -0.292 55.383 55.803 -0.212 0.000 0.824 821 Q CB 1.418 30.063 28.738 -0.155 0.000 1.306 821 Q HN -0.098 nan 8.270 nan 0.000 0.424 822 F N 1.894 121.801 119.950 -0.070 0.000 2.449 822 F HA 0.438 4.971 4.527 0.010 0.000 0.342 822 F C 0.073 175.826 175.800 -0.078 0.000 1.127 822 F CA -0.518 57.446 58.000 -0.059 0.000 0.975 822 F CB 2.284 41.257 39.000 -0.045 0.000 1.146 822 F HN 0.424 nan 8.300 nan 0.000 0.444 823 T N 0.005 114.610 114.554 0.086 0.000 2.909 823 T HA 0.262 4.618 4.350 0.009 0.000 0.289 823 T C -0.555 174.170 174.700 0.041 0.000 1.005 823 T CA -0.746 61.371 62.100 0.028 0.000 1.084 823 T CB 0.937 69.808 68.868 0.004 0.000 0.975 823 T HN 0.566 nan 8.240 nan 0.000 0.509 824 D N 1.176 121.578 120.400 0.003 0.000 2.812 824 D HA -0.122 4.524 4.640 0.009 0.000 0.237 824 D C -0.339 175.971 176.300 0.017 0.000 1.162 824 D CA 0.739 54.744 54.000 0.008 0.000 0.740 824 D CB -1.123 39.694 40.800 0.028 0.000 1.000 824 D HN 0.685 nan 8.370 nan 0.000 0.416 825 T N 0.112 114.647 114.554 -0.032 0.000 2.845 825 T HA 0.311 4.666 4.350 0.009 0.000 0.288 825 T C 1.586 176.329 174.700 0.073 0.000 0.980 825 T CA -0.613 61.484 62.100 -0.005 0.000 1.071 825 T CB 2.222 71.036 68.868 -0.090 0.000 0.941 825 T HN 0.059 nan 8.240 nan 0.000 0.487 826 K N 1.293 121.785 120.400 0.154 0.000 2.190 826 K HA 0.170 4.496 4.320 0.009 0.000 0.202 826 K C 1.065 177.862 176.600 0.328 0.000 1.045 826 K CA 0.240 56.651 56.287 0.208 0.000 0.976 826 K CB 0.300 32.866 32.500 0.111 0.000 0.849 826 K HN 0.668 nan 8.250 nan 0.000 0.468 827 S N -0.012 115.861 115.700 0.290 0.000 2.627 827 S HA 0.615 5.091 4.470 0.009 0.000 0.283 827 S C -0.813 174.012 174.600 0.375 0.000 1.127 827 S CA -0.854 57.560 58.200 0.358 0.000 0.863 827 S CB 2.312 65.700 63.200 0.312 0.000 1.121 827 S HN -0.129 nan 8.310 nan 0.000 0.479 828 V N 1.868 122.043 119.914 0.434 0.000 2.686 828 V HA 0.702 4.827 4.120 0.009 0.000 0.306 828 V C -1.624 174.658 176.094 0.313 0.000 1.065 828 V CA -0.537 61.960 62.300 0.328 0.000 0.894 828 V CB 1.504 33.520 31.823 0.322 0.000 1.004 828 V HN 0.921 nan 8.190 nan 0.000 0.424 829 F N 5.026 124.985 119.950 0.015 0.000 2.562 829 F HA 0.662 5.194 4.527 0.009 0.000 0.319 829 F C -0.971 174.781 175.800 -0.079 0.000 1.154 829 F CA -0.602 57.274 58.000 -0.206 0.000 0.931 829 F CB 1.586 40.385 39.000 -0.335 0.000 1.198 829 F HN 0.319 nan 8.300 nan 0.000 0.444 830 L N 5.703 126.459 121.223 -0.778 0.000 2.264 830 L HA 0.423 4.769 4.340 0.009 0.000 0.287 830 L C -0.498 175.925 176.870 -0.744 0.000 1.039 830 L CA -0.393 54.011 54.840 -0.727 0.000 0.829 830 L CB 1.387 42.785 42.059 -1.102 0.000 1.211 830 L HN 0.625 nan 8.230 nan 0.000 0.427 831 E N 3.106 123.259 120.200 -0.078 0.000 2.158 831 E HA 0.441 4.796 4.350 0.009 0.000 0.271 831 E C -1.234 175.569 176.600 0.340 0.000 0.911 831 E CA -0.345 56.167 56.400 0.188 0.000 0.767 831 E CB 2.039 32.089 29.700 0.583 0.000 1.120 831 E HN 0.450 nan 8.360 nan 0.000 0.405 832 S N 3.012 118.857 115.700 0.241 0.000 2.607 832 S HA 0.314 4.790 4.470 0.009 0.000 0.303 832 S C 0.547 175.181 174.600 0.057 0.000 1.086 832 S CA -0.720 57.528 58.200 0.081 0.000 0.995 832 S CB 1.251 64.358 63.200 -0.154 0.000 1.084 832 S HN 0.535 nan 8.310 nan 0.000 0.507 833 K N 1.171 121.583 120.400 0.020 0.000 2.365 833 K HA 0.160 4.486 4.320 0.009 0.000 0.199 833 K C -0.047 176.558 176.600 0.008 0.000 1.045 833 K CA 0.551 56.853 56.287 0.025 0.000 0.962 833 K CB -0.130 32.379 32.500 0.015 0.000 0.759 833 K HN 0.525 nan 8.250 nan 0.000 0.469 834 E N 2.126 122.312 120.200 -0.023 0.000 2.257 834 E HA 0.149 4.505 4.350 0.009 0.000 0.278 834 E C -2.317 174.282 176.600 -0.003 0.000 1.049 834 E CA -2.399 53.986 56.400 -0.025 0.000 0.876 834 E CB 0.585 30.245 29.700 -0.067 0.000 1.035 834 E HN 0.001 nan 8.360 nan 0.000 0.419 835 P HA 0.006 nan 4.420 nan 0.000 0.269 835 P C 0.513 177.832 177.300 0.033 0.000 1.217 835 P CA 0.321 63.440 63.100 0.031 0.000 0.783 835 P CB 0.462 32.183 31.700 0.036 0.000 0.898 836 G N 1.208 110.035 108.800 0.045 0.000 2.283 836 G HA2 -0.315 3.650 3.960 0.009 0.000 0.280 836 G HA3 -0.315 3.650 3.960 0.009 0.000 0.280 836 G C 0.762 175.682 174.900 0.035 0.000 1.029 836 G CA 0.389 45.521 45.100 0.054 0.000 0.840 836 G HN 0.559 nan 8.290 nan 0.000 0.505 837 R N -1.020 119.492 120.500 0.019 0.000 2.531 837 R HA 0.177 4.522 4.340 0.009 0.000 0.316 837 R C 0.569 176.915 176.300 0.078 0.000 0.955 837 R CA -0.228 55.889 56.100 0.030 0.000 1.120 837 R CB 0.205 30.480 30.300 -0.042 0.000 1.361 837 R HN 0.344 nan 8.270 nan 0.000 0.534 838 N N 0.730 119.406 118.700 -0.039 0.000 2.508 838 N HA 0.234 4.980 4.740 0.009 0.000 0.264 838 N C -0.657 174.590 175.510 -0.438 0.000 1.216 838 N CA 0.444 53.334 53.050 -0.266 0.000 0.943 838 N CB 0.778 39.128 38.487 -0.228 0.000 1.113 838 N HN 0.067 nan 8.380 nan 0.000 0.447 839 I N -0.193 119.915 120.570 -0.770 0.000 2.571 839 I HA 0.461 4.637 4.170 0.009 0.000 0.289 839 I C 0.156 175.587 176.117 -1.143 0.000 1.115 839 I CA -0.922 59.904 61.300 -0.789 0.000 1.045 839 I CB 2.225 39.860 38.000 -0.608 0.000 1.238 839 I HN 0.416 nan 8.210 nan 0.000 0.424 840 G N 4.711 112.894 108.800 -1.028 0.000 2.482 840 G HA2 0.760 4.725 3.960 0.009 0.000 0.317 840 G HA3 0.760 4.725 3.960 0.009 0.000 0.317 840 G C -1.862 172.614 174.900 -0.707 0.000 1.241 840 G CA -0.412 44.099 45.100 -0.981 0.000 0.967 840 G HN 0.420 nan 8.290 nan 0.000 0.482 841 Y N 0.226 120.544 120.300 0.031 0.000 2.425 841 Y HA 0.630 5.186 4.550 0.010 0.000 0.344 841 Y C 0.108 175.960 175.900 -0.080 0.000 0.969 841 Y CA -0.941 57.117 58.100 -0.071 0.000 1.052 841 Y CB 2.350 40.648 38.460 -0.270 0.000 1.215 841 Y HN 0.314 nan 8.280 nan 0.000 0.451 842 I N 3.793 124.261 120.570 -0.170 0.000 2.466 842 I HA 0.398 4.574 4.170 0.009 0.000 0.289 842 I C -1.314 174.471 176.117 -0.554 0.000 1.026 842 I CA -0.714 60.434 61.300 -0.253 0.000 1.078 842 I CB 1.542 39.423 38.000 -0.199 0.000 1.249 842 I HN 0.382 nan 8.210 nan 0.000 0.429 843 F N 4.508 124.435 119.950 -0.040 0.000 2.420 843 F HA 0.390 4.923 4.527 0.010 0.000 0.342 843 F C 0.744 176.509 175.800 -0.059 0.000 1.113 843 F CA -0.547 57.418 58.000 -0.058 0.000 1.059 843 F CB 0.706 39.728 39.000 0.038 0.000 1.128 843 F HN 0.328 nan 8.300 nan 0.000 0.475 844 F N 0.592 120.716 119.950 0.290 0.000 2.269 844 F HA -0.044 4.488 4.527 0.009 0.000 0.301 844 F C 0.984 176.889 175.800 0.174 0.000 1.082 844 F CA 1.021 59.132 58.000 0.185 0.000 1.360 844 F CB -0.367 38.726 39.000 0.155 0.000 1.041 844 F HN 0.102 nan 8.300 nan 0.000 0.512 845 K N 0.554 121.175 120.400 0.369 0.000 2.427 845 K HA 0.230 4.556 4.320 0.009 0.000 0.252 845 K C -0.942 175.773 176.600 0.191 0.000 0.931 845 K CA -0.995 55.438 56.287 0.243 0.000 0.793 845 K CB 1.350 33.980 32.500 0.215 0.000 1.211 845 K HN -0.219 nan 8.250 nan 0.000 0.426 846 N N 1.390 120.165 118.700 0.126 0.000 2.356 846 N HA 0.026 4.772 4.740 0.009 0.000 0.252 846 N C -0.427 175.080 175.510 -0.004 0.000 1.241 846 N CA 0.616 53.704 53.050 0.063 0.000 0.861 846 N CB 0.401 38.919 38.487 0.053 0.000 1.075 846 N HN 0.611 nan 8.380 nan 0.000 0.461 847 S N -0.556 115.068 115.700 -0.127 0.000 2.638 847 S HA 0.473 4.948 4.470 0.009 0.000 0.274 847 S C -0.723 173.744 174.600 -0.221 0.000 1.157 847 S CA -1.016 57.073 58.200 -0.186 0.000 0.826 847 S CB 1.308 64.342 63.200 -0.277 0.000 1.139 847 S HN 0.290 nan 8.310 nan 0.000 0.474 848 T N 2.353 116.806 114.554 -0.169 0.000 2.739 848 T HA 0.444 4.799 4.350 0.009 0.000 0.298 848 T C -0.463 174.120 174.700 -0.194 0.000 0.929 848 T CA -0.190 61.830 62.100 -0.133 0.000 1.014 848 T CB -0.437 68.379 68.868 -0.087 0.000 0.914 848 T HN 0.384 nan 8.240 nan 0.000 0.509 849 I N 3.203 123.665 120.570 -0.179 0.000 2.493 849 I HA 0.392 4.567 4.170 0.009 0.000 0.298 849 I C 0.235 176.323 176.117 -0.049 0.000 0.998 849 I CA -1.318 59.868 61.300 -0.190 0.000 1.137 849 I CB 1.829 39.667 38.000 -0.270 0.000 1.310 849 I HN 0.480 nan 8.210 nan 0.000 0.445 850 D N 6.285 126.639 120.400 -0.077 0.000 2.177 850 D HA 0.533 5.179 4.640 0.009 0.000 0.247 850 D C -0.309 175.990 176.300 -0.002 0.000 1.063 850 D CA -0.003 53.976 54.000 -0.035 0.000 0.867 850 D CB 2.075 42.831 40.800 -0.073 0.000 1.168 850 D HN 0.241 nan 8.370 nan 0.000 0.445 851 I N 1.909 122.518 120.570 0.064 0.000 2.468 851 I HA 0.195 4.370 4.170 0.009 0.000 0.285 851 I C -0.332 175.817 176.117 0.054 0.000 1.039 851 I CA -0.604 60.739 61.300 0.072 0.000 1.074 851 I CB 2.077 40.180 38.000 0.172 0.000 1.228 851 I HN 0.208 nan 8.210 nan 0.000 0.436 852 E N 6.792 127.005 120.200 0.022 0.000 2.238 852 E HA 0.526 4.881 4.350 0.009 0.000 0.267 852 E C -1.153 175.468 176.600 0.035 0.000 0.887 852 E CA -0.802 55.610 56.400 0.020 0.000 0.769 852 E CB 2.093 31.793 29.700 -0.000 0.000 1.187 852 E HN 0.378 nan 8.360 nan 0.000 0.416 853 R N 3.211 123.734 120.500 0.039 0.000 2.532 853 R HA 0.459 4.805 4.340 0.009 0.000 0.297 853 R C -1.663 174.665 176.300 0.046 0.000 0.984 853 R CA -0.588 55.544 56.100 0.053 0.000 0.884 853 R CB 1.101 31.428 30.300 0.046 0.000 1.182 853 R HN 0.791 nan 8.270 nan 0.000 0.442 854 K N 0.802 121.242 120.400 0.066 0.000 2.660 854 K HA 0.227 4.553 4.320 0.009 0.000 0.285 854 K C -1.432 175.215 176.600 0.079 0.000 0.997 854 K CA -1.006 55.312 56.287 0.052 0.000 0.861 854 K CB 1.007 33.526 32.500 0.033 0.000 1.469 854 K HN 0.246 nan 8.250 nan 0.000 0.395 855 E N 1.796 122.027 120.200 0.052 0.000 2.180 855 E HA 0.070 4.426 4.350 0.009 0.000 0.283 855 E C -0.916 175.723 176.600 0.065 0.000 1.061 855 E CA -0.000 56.434 56.400 0.058 0.000 0.861 855 E CB 0.659 30.373 29.700 0.024 0.000 1.056 855 E HN 0.392 nan 8.360 nan 0.000 0.407 856 Q N 2.970 122.843 119.800 0.122 0.000 2.256 856 Q HA 0.430 4.776 4.340 0.009 0.000 0.257 856 Q C -0.556 175.463 176.000 0.032 0.000 0.936 856 Q CA -0.716 55.122 55.803 0.059 0.000 0.903 856 Q CB 1.851 30.604 28.738 0.024 0.000 1.263 856 Q HN 0.532 nan 8.270 nan 0.000 0.440 857 T N -0.663 113.878 114.554 -0.022 0.000 2.942 857 T HA 0.902 5.258 4.350 0.009 0.000 0.289 857 T C 0.010 174.659 174.700 -0.085 0.000 1.044 857 T CA -0.681 61.392 62.100 -0.044 0.000 1.023 857 T CB 1.936 70.782 68.868 -0.036 0.000 1.123 857 T HN 0.807 nan 8.240 nan 0.000 0.512 858 G N 0.146 108.882 108.800 -0.108 0.000 2.428 858 G HA2 0.610 4.576 3.960 0.009 0.000 0.304 858 G HA3 0.610 4.576 3.960 0.009 0.000 0.304 858 G C -1.222 173.589 174.900 -0.148 0.000 1.303 858 G CA -0.299 44.718 45.100 -0.139 0.000 0.825 858 G HN 1.127 nan 8.290 nan 0.000 0.484 859 T N -3.269 111.195 114.554 -0.150 0.000 2.916 859 T HA 0.417 4.772 4.350 0.009 0.000 0.305 859 T C 0.180 174.827 174.700 -0.089 0.000 1.119 859 T CA -0.533 61.513 62.100 -0.091 0.000 1.008 859 T CB 1.927 70.785 68.868 -0.017 0.000 1.129 859 T HN 0.565 nan 8.240 nan 0.000 0.480 860 W N 1.448 122.749 121.300 0.002 0.000 2.363 860 W HA -0.038 4.628 4.660 0.009 0.000 0.296 860 W C 2.464 178.984 176.519 0.002 0.000 1.212 860 W CA 1.469 58.830 57.345 0.026 0.000 1.260 860 W CB -0.221 29.273 29.460 0.056 0.000 1.131 860 W HN 0.903 nan 8.180 nan 0.000 0.530 861 N N 0.160 118.985 118.700 0.208 0.000 2.364 861 N HA -0.200 4.545 4.740 0.009 0.000 0.183 861 N C 1.823 177.367 175.510 0.057 0.000 1.022 861 N CA 1.889 55.008 53.050 0.115 0.000 0.883 861 N CB -0.336 38.198 38.487 0.078 0.000 0.965 861 N HN 0.039 nan 8.380 nan 0.000 0.438 862 S N 0.626 116.339 115.700 0.021 0.000 2.355 862 S HA -0.158 4.318 4.470 0.009 0.000 0.222 862 S C 1.975 176.548 174.600 -0.045 0.000 1.031 862 S CA 1.162 59.349 58.200 -0.022 0.000 0.993 862 S CB -0.863 62.303 63.200 -0.058 0.000 0.859 862 S HN 0.565 nan 8.310 nan 0.000 0.453 863 I N -1.562 118.973 120.570 -0.058 0.000 3.419 863 I HA 0.344 4.520 4.170 0.009 0.000 0.286 863 I C 0.340 176.456 176.117 -0.002 0.000 1.268 863 I CA 0.154 61.403 61.300 -0.086 0.000 1.414 863 I CB -0.177 37.740 38.000 -0.138 0.000 1.074 863 I HN 0.158 nan 8.210 nan 0.000 0.457 864 N N 1.817 120.557 118.700 0.067 0.000 2.607 864 N HA 0.211 4.956 4.740 0.009 0.000 0.271 864 N C 0.296 175.843 175.510 0.060 0.000 1.142 864 N CA -0.409 52.687 53.050 0.076 0.000 0.810 864 N CB 1.168 39.737 38.487 0.137 0.000 1.306 864 N HN 0.056 nan 8.380 nan 0.000 0.536 865 R N 0.770 121.289 120.500 0.031 0.000 2.341 865 R HA 0.016 4.362 4.340 0.009 0.000 0.213 865 R C 0.469 176.778 176.300 0.016 0.000 1.082 865 R CA 0.820 56.934 56.100 0.023 0.000 1.017 865 R CB -0.310 29.999 30.300 0.015 0.000 0.860 865 R HN 0.429 nan 8.270 nan 0.000 0.473 866 T N -0.518 114.044 114.554 0.012 0.000 3.122 866 T HA 0.050 4.406 4.350 0.009 0.000 0.250 866 T C 0.638 175.337 174.700 -0.002 0.000 1.067 866 T CA 0.060 62.157 62.100 -0.005 0.000 0.966 866 T CB 0.293 69.147 68.868 -0.022 0.000 1.002 866 T HN -0.023 nan 8.240 nan 0.000 0.542 867 S N 1.368 117.082 115.700 0.023 0.000 2.442 867 S HA 0.279 4.755 4.470 0.009 0.000 0.297 867 S C 0.662 175.281 174.600 0.031 0.000 1.131 867 S CA -0.820 57.398 58.200 0.030 0.000 1.092 867 S CB 0.599 63.852 63.200 0.089 0.000 0.998 867 S HN 0.193 nan 8.310 nan 0.000 0.478 868 K N 3.455 123.862 120.400 0.012 0.000 2.665 868 K HA 0.093 4.419 4.320 0.009 0.000 0.214 868 K C -0.252 176.365 176.600 0.028 0.000 1.032 868 K CA -0.024 56.270 56.287 0.013 0.000 1.198 868 K CB -0.356 32.142 32.500 -0.004 0.000 0.941 868 K HN 0.398 nan 8.250 nan 0.000 0.491 869 N N 0.982 119.717 118.700 0.058 0.000 2.626 869 N HA 0.037 4.783 4.740 0.009 0.000 0.242 869 N C -0.199 175.375 175.510 0.107 0.000 1.005 869 N CA -0.266 52.835 53.050 0.086 0.000 0.905 869 N CB 0.992 39.550 38.487 0.118 0.000 1.128 869 N HN -0.012 nan 8.380 nan 0.000 0.512 870 T N -1.414 113.178 114.554 0.064 0.000 3.186 870 T HA 0.213 4.569 4.350 0.009 0.000 0.257 870 T C 0.152 174.870 174.700 0.030 0.000 1.029 870 T CA -0.511 61.617 62.100 0.046 0.000 0.916 870 T CB -0.268 68.617 68.868 0.028 0.000 1.041 870 T HN 0.200 nan 8.240 nan 0.000 0.562 871 S N 2.018 117.742 115.700 0.040 0.000 2.537 871 S HA 0.269 4.745 4.470 0.009 0.000 0.286 871 S C 0.390 174.981 174.600 -0.016 0.000 1.299 871 S CA -0.472 57.736 58.200 0.013 0.000 1.067 871 S CB 0.027 63.239 63.200 0.020 0.000 0.864 871 S HN 0.459 nan 8.310 nan 0.000 0.494 872 I N 4.143 124.695 120.570 -0.030 0.000 2.311 872 I HA 0.088 4.264 4.170 0.009 0.000 0.297 872 I C 0.054 176.125 176.117 -0.077 0.000 1.131 872 I CA -0.425 60.845 61.300 -0.050 0.000 1.289 872 I CB -0.282 37.698 38.000 -0.033 0.000 1.446 872 I HN 0.339 nan 8.210 nan 0.000 0.524 873 V N 2.519 122.356 119.914 -0.128 0.000 2.567 873 V HA 0.550 4.675 4.120 0.009 0.000 0.289 873 V C 0.274 176.314 176.094 -0.089 0.000 1.049 873 V CA -0.430 61.773 62.300 -0.163 0.000 0.969 873 V CB 1.415 33.011 31.823 -0.378 0.000 0.995 873 V HN 0.592 nan 8.190 nan 0.000 0.471 874 S N 2.461 118.137 115.700 -0.040 0.000 2.600 874 S HA 0.687 5.163 4.470 0.009 0.000 0.300 874 S C -0.757 173.855 174.600 0.020 0.000 1.087 874 S CA -0.756 57.441 58.200 -0.005 0.000 0.965 874 S CB 1.392 64.589 63.200 -0.004 0.000 1.089 874 S HN 0.990 nan 8.310 nan 0.000 0.496 875 N N 1.685 120.412 118.700 0.045 0.000 2.406 875 N HA 0.364 5.110 4.740 0.009 0.000 0.283 875 N C -3.069 172.419 175.510 -0.036 0.000 1.074 875 N CA -1.177 51.852 53.050 -0.035 0.000 0.916 875 N CB 2.620 41.066 38.487 -0.069 0.000 1.639 875 N HN 0.317 nan 8.380 nan 0.000 0.485 876 P HA 0.242 nan 4.420 nan 0.000 0.281 876 P C -1.301 175.858 177.300 -0.234 0.000 1.252 876 P CA 0.222 63.270 63.100 -0.087 0.000 0.778 876 P CB 0.437 32.085 31.700 -0.086 0.000 0.895 877 F N 2.323 122.267 119.950 -0.011 0.000 2.565 877 F HA 0.469 5.002 4.527 0.009 0.000 0.313 877 F C 0.467 176.273 175.800 0.011 0.000 1.091 877 F CA -0.852 57.149 58.000 0.002 0.000 0.915 877 F CB 1.910 40.894 39.000 -0.027 0.000 1.208 877 F HN 0.103 nan 8.300 nan 0.000 0.453 878 I N 2.548 123.251 120.570 0.222 0.000 2.330 878 I HA 0.327 4.503 4.170 0.009 0.000 0.289 878 I C -0.628 175.543 176.117 0.091 0.000 1.001 878 I CA -0.155 61.215 61.300 0.116 0.000 1.193 878 I CB 1.499 39.537 38.000 0.063 0.000 1.345 878 I HN 0.512 nan 8.210 nan 0.000 0.461 879 T N 7.372 121.952 114.554 0.043 0.000 2.786 879 T HA 0.576 4.931 4.350 0.009 0.000 0.283 879 T C -0.205 174.461 174.700 -0.057 0.000 0.992 879 T CA -0.313 61.782 62.100 -0.009 0.000 0.954 879 T CB 0.964 69.821 68.868 -0.018 0.000 0.934 879 T HN 0.215 nan 8.240 nan 0.000 0.440 880 I N 2.464 122.960 120.570 -0.122 0.000 2.377 880 I HA 0.523 4.699 4.170 0.009 0.000 0.293 880 I C 0.379 176.382 176.117 -0.190 0.000 0.987 880 I CA -0.093 61.102 61.300 -0.175 0.000 1.185 880 I CB 1.684 39.494 38.000 -0.316 0.000 1.341 880 I HN 0.506 nan 8.210 nan 0.000 0.455 881 S N 4.294 119.892 115.700 -0.169 0.000 2.595 881 S HA 0.497 4.973 4.470 0.009 0.000 0.281 881 S C -1.174 173.292 174.600 -0.223 0.000 1.117 881 S CA -0.672 57.418 58.200 -0.183 0.000 0.873 881 S CB 2.275 65.397 63.200 -0.130 0.000 1.108 881 S HN 0.589 nan 8.310 nan 0.000 0.477 882 Q N 1.625 121.257 119.800 -0.280 0.000 2.309 882 Q HA 0.349 4.695 4.340 0.009 0.000 0.270 882 Q C -1.457 174.281 176.000 -0.437 0.000 1.023 882 Q CA -0.557 55.042 55.803 -0.339 0.000 0.758 882 Q CB 0.996 29.519 28.738 -0.359 0.000 1.247 882 Q HN 0.478 nan 8.270 nan 0.000 0.455 883 K N 2.906 123.132 120.400 -0.289 0.000 2.368 883 K HA 0.165 4.491 4.320 0.009 0.000 0.282 883 K C -0.501 175.965 176.600 -0.224 0.000 1.035 883 K CA -0.116 56.041 56.287 -0.216 0.000 0.973 883 K CB 0.507 32.943 32.500 -0.107 0.000 0.957 883 K HN 0.454 nan 8.250 nan 0.000 0.474 884 H N 1.413 120.502 119.070 0.032 0.000 2.525 884 H HA 0.269 4.830 4.556 0.009 0.000 0.340 884 H C -0.559 174.795 175.328 0.043 0.000 1.168 884 H CA -0.553 55.529 56.048 0.057 0.000 1.247 884 H CB 1.676 31.493 29.762 0.091 0.000 1.568 884 H HN 0.615 nan 8.280 nan 0.000 0.536 891 Y N -1.599 118.833 120.300 0.220 0.000 2.571 891 Y HA 0.912 5.468 4.550 0.009 0.000 0.341 891 Y C -0.425 175.701 175.900 0.376 0.000 1.076 891 Y CA -1.110 57.201 58.100 0.352 0.000 1.029 891 Y CB 0.951 39.686 38.460 0.458 0.000 1.308 891 Y HN 0.157 nan 8.280 nan 0.000 0.461 892 G N 2.104 111.332 108.800 0.714 0.000 2.608 892 G HA2 0.529 4.495 3.960 0.009 0.000 0.285 892 G HA3 0.529 4.495 3.960 0.009 0.000 0.285 892 G C -2.275 172.973 174.900 0.581 0.000 1.407 892 G CA -0.713 44.788 45.100 0.669 0.000 1.276 892 G HN 1.145 nan 8.290 nan 0.000 0.587 893 Y N -0.363 120.028 120.300 0.153 0.000 2.638 893 Y HA 0.842 5.397 4.550 0.009 0.000 0.335 893 Y C -1.001 174.766 175.900 -0.221 0.000 1.155 893 Y CA -2.059 55.837 58.100 -0.340 0.000 1.046 893 Y CB 1.777 40.001 38.460 -0.394 0.000 1.303 893 Y HN 0.549 nan 8.280 nan 0.000 0.460 894 M N 3.808 123.237 119.600 -0.286 0.000 2.383 894 M HA 0.567 5.053 4.480 0.009 0.000 0.325 894 M C -1.588 174.729 176.300 0.028 0.000 1.092 894 M CA -0.902 54.325 55.300 -0.121 0.000 0.961 894 M CB 1.910 34.407 32.600 -0.171 0.000 1.672 894 M HN 0.925 nan 8.290 nan 0.000 0.438 895 M N 5.108 124.752 119.600 0.073 0.000 2.227 895 M HA 0.553 5.039 4.480 0.009 0.000 0.335 895 M C -1.886 174.346 176.300 -0.112 0.000 1.053 895 M CA -0.716 54.571 55.300 -0.022 0.000 0.973 895 M CB 1.322 33.970 32.600 0.079 0.000 1.623 895 M HN 0.504 nan 8.290 nan 0.000 0.434 896 V N 6.815 126.634 119.914 -0.159 0.000 2.357 896 V HA 0.479 4.605 4.120 0.009 0.000 0.281 896 V C -2.461 173.478 176.094 -0.257 0.000 1.015 896 V CA -1.365 60.866 62.300 -0.115 0.000 0.827 896 V CB 1.026 32.912 31.823 0.106 0.000 1.018 896 V HN 0.708 nan 8.190 nan 0.000 0.432 897 P HA 0.438 nan 4.420 nan 0.000 0.284 897 P C -0.094 177.027 177.300 -0.298 0.000 1.258 897 P CA -0.473 62.340 63.100 -0.479 0.000 0.824 897 P CB 0.526 31.741 31.700 -0.808 0.000 1.038 898 N N -0.801 117.787 118.700 -0.187 0.000 2.727 898 N HA -0.208 4.537 4.740 0.009 0.000 0.249 898 N C -0.473 175.051 175.510 0.023 0.000 1.048 898 N CA 0.790 53.815 53.050 -0.041 0.000 0.714 898 N CB -1.762 36.746 38.487 0.035 0.000 0.959 898 N HN 0.512 nan 8.380 nan 0.000 0.544 899 I N 0.220 120.819 120.570 0.047 0.000 2.562 899 I HA 0.288 4.463 4.170 0.009 0.000 0.301 899 I C 0.142 176.376 176.117 0.196 0.000 1.003 899 I CA -0.974 60.403 61.300 0.128 0.000 1.127 899 I CB 1.261 39.376 38.000 0.191 0.000 1.304 899 I HN 0.167 nan 8.210 nan 0.000 0.446 900 D N 4.891 125.366 120.400 0.125 0.000 2.339 900 D HA 0.160 4.806 4.640 0.009 0.000 0.245 900 D C 1.027 177.300 176.300 -0.044 0.000 1.115 900 D CA -0.287 53.764 54.000 0.086 0.000 0.917 900 D CB 1.023 41.843 40.800 0.034 0.000 1.192 900 D HN 0.514 nan 8.370 nan 0.000 0.428 901 R N 0.489 120.856 120.500 -0.222 0.000 2.091 901 R HA -0.165 4.181 4.340 0.009 0.000 0.238 901 R C 1.707 177.786 176.300 -0.368 0.000 1.136 901 R CA 2.251 57.944 56.100 -0.679 0.000 0.959 901 R CB -0.477 29.430 30.300 -0.656 0.000 0.856 901 R HN 0.777 nan 8.270 nan 0.000 0.437 902 T N -1.766 112.668 114.554 -0.201 0.000 2.777 902 T HA -0.072 4.284 4.350 0.009 0.000 0.266 902 T C 2.006 176.645 174.700 -0.102 0.000 1.040 902 T CA 1.397 63.416 62.100 -0.136 0.000 1.141 902 T CB -0.290 68.525 68.868 -0.088 0.000 0.868 902 T HN 0.093 nan 8.240 nan 0.000 0.444 903 S N 0.311 115.972 115.700 -0.064 0.000 2.436 903 S HA 0.101 4.577 4.470 0.009 0.000 0.228 903 S C 1.463 176.040 174.600 -0.039 0.000 1.014 903 S CA 0.157 58.334 58.200 -0.038 0.000 0.950 903 S CB -0.542 62.656 63.200 -0.002 0.000 0.784 903 S HN 0.494 nan 8.310 nan 0.000 0.504 904 F N 2.625 122.457 119.950 -0.195 0.000 2.113 904 F HA -0.076 4.457 4.527 0.009 0.000 0.297 904 F C 1.860 177.542 175.800 -0.195 0.000 1.103 904 F CA 1.729 59.608 58.000 -0.202 0.000 1.248 904 F CB -0.564 38.220 39.000 -0.360 0.000 0.999 904 F HN 0.129 nan 8.300 nan 0.000 0.475 905 D N 0.714 120.944 120.400 -0.283 0.000 2.104 905 D HA -0.192 4.453 4.640 0.009 0.000 0.194 905 D C 2.179 178.316 176.300 -0.271 0.000 0.994 905 D CA 1.581 55.397 54.000 -0.306 0.000 0.830 905 D CB -0.367 40.326 40.800 -0.177 0.000 0.959 905 D HN 0.360 nan 8.370 nan 0.000 0.452 906 K N 0.066 120.350 120.400 -0.193 0.000 2.044 906 K HA -0.164 4.162 4.320 0.009 0.000 0.210 906 K C 2.085 178.583 176.600 -0.171 0.000 1.049 906 K CA 0.642 56.843 56.287 -0.143 0.000 0.927 906 K CB -0.319 32.121 32.500 -0.099 0.000 0.713 906 K HN 0.078 nan 8.250 nan 0.000 0.443 907 L N 0.961 122.048 121.223 -0.227 0.000 2.131 907 L HA -0.127 4.219 4.340 0.009 0.000 0.210 907 L C 2.128 178.831 176.870 -0.278 0.000 1.092 907 L CA 1.672 56.373 54.840 -0.230 0.000 0.759 907 L CB -0.519 41.396 42.059 -0.239 0.000 0.903 907 L HN 0.136 nan 8.230 nan 0.000 0.435 908 A N -0.722 121.850 122.820 -0.414 0.000 1.854 908 A HA -0.104 4.222 4.320 0.009 0.000 0.214 908 A C 1.731 179.217 177.584 -0.164 0.000 1.192 908 A CA 1.265 53.099 52.037 -0.340 0.000 0.611 908 A CB -0.615 18.117 19.000 -0.447 0.000 0.832 908 A HN 0.516 nan 8.150 nan 0.000 0.442 909 N N 0.690 119.303 118.700 -0.145 0.000 2.482 909 N HA 0.051 4.797 4.740 0.009 0.000 0.220 909 N C -0.183 175.292 175.510 -0.059 0.000 1.255 909 N CA 0.754 53.757 53.050 -0.078 0.000 0.850 909 N CB -0.107 38.337 38.487 -0.070 0.000 1.127 909 N HN 0.524 nan 8.380 nan 0.000 0.475 910 S N -0.977 114.685 115.700 -0.062 0.000 2.588 910 S HA 0.374 4.849 4.470 0.009 0.000 0.275 910 S C -0.331 174.259 174.600 -0.017 0.000 1.130 910 S CA -0.821 57.355 58.200 -0.041 0.000 0.855 910 S CB 1.967 65.133 63.200 -0.057 0.000 1.116 910 S HN -0.031 nan 8.310 nan 0.000 0.472 911 K N 1.672 122.070 120.400 -0.003 0.000 3.129 911 K HA 0.138 4.464 4.320 0.009 0.000 0.241 911 K C 1.015 177.613 176.600 -0.004 0.000 1.239 911 K CA -0.006 56.290 56.287 0.016 0.000 1.239 911 K CB 0.199 32.713 32.500 0.024 0.000 1.347 911 K HN 0.804 nan 8.250 nan 0.000 0.435 912 E N 0.308 120.497 120.200 -0.019 0.000 2.051 912 E HA -0.137 4.219 4.350 0.009 0.000 0.192 912 E C 0.369 176.925 176.600 -0.074 0.000 0.991 912 E CA 0.977 57.348 56.400 -0.048 0.000 0.799 912 E CB 0.306 29.977 29.700 -0.048 0.000 0.748 912 E HN 0.062 nan 8.360 nan 0.000 0.449 913 V N 0.491 120.399 119.914 -0.010 0.000 2.680 913 V HA 0.388 4.514 4.120 0.009 0.000 0.309 913 V C -1.695 174.414 176.094 0.025 0.000 1.052 913 V CA -0.692 61.602 62.300 -0.010 0.000 0.908 913 V CB 1.767 33.652 31.823 0.103 0.000 1.001 913 V HN 0.350 nan 8.190 nan 0.000 0.431 914 E N 5.394 125.530 120.200 -0.107 0.000 2.275 914 E HA 0.378 4.733 4.350 0.009 0.000 0.270 914 E C -1.402 174.968 176.600 -0.384 0.000 0.882 914 E CA -0.840 55.446 56.400 -0.190 0.000 0.758 914 E CB 2.584 32.248 29.700 -0.061 0.000 1.195 914 E HN 0.520 nan 8.360 nan 0.000 0.419 915 L N 4.530 125.331 121.223 -0.703 0.000 2.328 915 L HA 0.135 4.480 4.340 0.009 0.000 0.280 915 L C -0.032 176.692 176.870 -0.242 0.000 1.111 915 L CA -0.108 54.366 54.840 -0.610 0.000 0.909 915 L CB 0.086 41.585 42.059 -0.934 0.000 1.277 915 L HN 0.656 nan 8.230 nan 0.000 0.433 916 L N 2.456 123.614 121.223 -0.109 0.000 2.093 916 L HA 0.143 4.489 4.340 0.009 0.000 0.208 916 L C 0.947 177.817 176.870 0.000 0.000 1.085 916 L CA 0.991 55.822 54.840 -0.015 0.000 0.755 916 L CB -0.959 41.142 42.059 0.069 0.000 0.904 916 L HN 0.712 nan 8.230 nan 0.000 0.435 917 E N -1.363 118.836 120.200 -0.002 0.000 2.363 917 E HA 0.205 4.561 4.350 0.009 0.000 0.281 917 E C -0.945 175.665 176.600 0.016 0.000 0.953 917 E CA -0.293 56.117 56.400 0.016 0.000 0.778 917 E CB 1.170 30.892 29.700 0.036 0.000 1.220 917 E HN -0.102 nan 8.360 nan 0.000 0.431 918 N N 2.039 120.752 118.700 0.023 0.000 2.622 918 N HA 0.118 4.864 4.740 0.009 0.000 0.304 918 N C -1.084 174.442 175.510 0.026 0.000 1.844 918 N CA 0.017 53.082 53.050 0.025 0.000 0.886 918 N CB 0.895 39.392 38.487 0.017 0.000 1.366 918 N HN 0.463 nan 8.380 nan 0.000 0.491 919 S N -1.225 114.500 115.700 0.041 0.000 2.661 919 S HA 0.275 4.751 4.470 0.009 0.000 0.265 919 S C 1.244 175.864 174.600 0.032 0.000 1.225 919 S CA -0.024 58.195 58.200 0.031 0.000 0.986 919 S CB 0.767 63.987 63.200 0.033 0.000 1.008 919 S HN 0.185 nan 8.310 nan 0.000 0.565 920 S N -0.379 115.323 115.700 0.003 0.000 2.603 920 S HA 0.127 4.602 4.470 0.009 0.000 0.220 920 S C 1.382 175.992 174.600 0.017 0.000 0.967 920 S CA 0.100 58.276 58.200 -0.040 0.000 0.920 920 S CB -0.287 62.880 63.200 -0.055 0.000 0.773 920 S HN 0.761 nan 8.310 nan 0.000 0.529 921 K N 1.561 122.000 120.400 0.066 0.000 2.244 921 K HA 0.087 4.413 4.320 0.009 0.000 0.200 921 K C 0.482 177.169 176.600 0.146 0.000 1.052 921 K CA 0.549 56.887 56.287 0.085 0.000 0.980 921 K CB 0.286 32.812 32.500 0.043 0.000 0.838 921 K HN 0.677 nan 8.250 nan 0.000 0.481 922 Q N -0.125 119.768 119.800 0.156 0.000 2.647 922 Q HA 0.268 4.614 4.340 0.009 0.000 0.283 922 Q C -1.823 174.262 176.000 0.142 0.000 0.943 922 Q CA -0.953 54.941 55.803 0.153 0.000 0.813 922 Q CB 1.245 30.032 28.738 0.081 0.000 1.477 922 Q HN -0.075 nan 8.270 nan 0.000 0.393 923 Q N 0.952 120.829 119.800 0.129 0.000 2.325 923 Q HA 0.645 4.990 4.340 0.009 0.000 0.270 923 Q C -1.678 174.374 176.000 0.086 0.000 1.020 923 Q CA -0.634 55.228 55.803 0.097 0.000 0.785 923 Q CB 2.768 31.570 28.738 0.107 0.000 1.259 923 Q HN 0.535 nan 8.270 nan 0.000 0.452 924 V N 4.204 124.160 119.914 0.070 0.000 2.638 924 V HA 0.691 4.817 4.120 0.009 0.000 0.306 924 V C -1.443 174.686 176.094 0.059 0.000 1.052 924 V CA -0.421 61.945 62.300 0.109 0.000 0.885 924 V CB 1.358 33.278 31.823 0.161 0.000 0.999 924 V HN 0.750 nan 8.190 nan 0.000 0.424 925 I N 6.148 126.762 120.570 0.073 0.000 2.785 925 I HA 0.539 4.715 4.170 0.009 0.000 0.302 925 I C -1.617 174.507 176.117 0.011 0.000 1.069 925 I CA -0.758 60.529 61.300 -0.023 0.000 1.045 925 I CB 2.342 40.315 38.000 -0.044 0.000 1.236 925 I HN 0.872 nan 8.210 nan 0.000 0.429 926 Y N 3.704 123.833 120.300 -0.286 0.000 2.386 926 Y HA 0.347 4.903 4.550 0.010 0.000 0.334 926 Y C -1.031 174.672 175.900 -0.328 0.000 1.002 926 Y CA -1.238 56.553 58.100 -0.516 0.000 1.068 926 Y CB 1.380 39.271 38.460 -0.949 0.000 1.203 926 Y HN 0.483 nan 8.280 nan 0.000 0.443 927 D N 5.423 125.296 120.400 -0.879 0.000 2.443 927 D HA 0.251 4.896 4.640 0.009 0.000 0.221 927 D C 0.481 176.164 176.300 -1.028 0.000 1.097 927 D CA -0.110 53.501 54.000 -0.647 0.000 0.865 927 D CB 1.048 41.678 40.800 -0.283 0.000 1.034 927 D HN 0.691 nan 8.370 nan 0.000 0.511 928 K N 2.341 122.206 120.400 -0.892 0.000 2.103 928 K HA -0.178 4.148 4.320 0.009 0.000 0.207 928 K C 1.585 178.003 176.600 -0.303 0.000 1.048 928 K CA 0.617 56.549 56.287 -0.591 0.000 0.930 928 K CB 0.065 32.454 32.500 -0.185 0.000 0.716 928 K HN 0.415 nan 8.250 nan 0.000 0.444 929 N N 0.954 119.515 118.700 -0.232 0.000 2.058 929 N HA -0.128 4.618 4.740 0.009 0.000 0.191 929 N C 1.579 177.033 175.510 -0.095 0.000 1.037 929 N CA 1.952 54.932 53.050 -0.117 0.000 0.848 929 N CB 0.018 38.460 38.487 -0.075 0.000 1.021 929 N HN 0.183 nan 8.380 nan 0.000 0.422 930 S N -0.359 115.271 115.700 -0.116 0.000 2.556 930 S HA 0.130 4.606 4.470 0.009 0.000 0.216 930 S C 0.271 174.778 174.600 -0.154 0.000 0.970 930 S CA -0.197 57.950 58.200 -0.088 0.000 0.912 930 S CB 0.207 63.404 63.200 -0.005 0.000 0.790 930 S HN 0.299 nan 8.310 nan 0.000 0.504 931 Q N 0.990 120.674 119.800 -0.194 0.000 2.460 931 Q HA -0.122 4.223 4.340 0.009 0.000 0.311 931 Q C -1.044 174.984 176.000 0.046 0.000 1.396 931 Q CA 0.895 56.677 55.803 -0.034 0.000 0.838 931 Q CB -2.274 26.516 28.738 0.086 0.000 1.140 931 Q HN 0.676 nan 8.270 nan 0.000 0.415 932 T N -0.739 113.715 114.554 -0.167 0.000 2.863 932 T HA 0.614 4.970 4.350 0.009 0.000 0.285 932 T C -0.643 174.066 174.700 0.014 0.000 1.009 932 T CA -0.551 61.521 62.100 -0.046 0.000 0.989 932 T CB 0.936 69.656 68.868 -0.246 0.000 1.004 932 T HN 0.269 nan 8.240 nan 0.000 0.455 933 W N 1.396 122.776 121.300 0.133 0.000 2.587 933 W HA 0.682 5.348 4.660 0.009 0.000 0.324 933 W C -0.318 176.226 176.519 0.042 0.000 1.040 933 W CA -0.791 56.632 57.345 0.130 0.000 1.222 933 W CB 1.453 30.912 29.460 -0.002 0.000 1.381 933 W HN 0.808 nan 8.180 nan 0.000 0.483 934 A N 2.986 125.976 122.820 0.282 0.000 2.319 934 A HA 0.834 5.160 4.320 0.009 0.000 0.310 934 A C -1.523 176.181 177.584 0.200 0.000 1.152 934 A CA -0.667 51.487 52.037 0.196 0.000 0.783 934 A CB 0.910 19.988 19.000 0.130 0.000 1.184 934 A HN 0.413 nan 8.150 nan 0.000 0.474 935 V N 3.984 124.027 119.914 0.216 0.000 2.577 935 V HA 0.379 4.505 4.120 0.009 0.000 0.303 935 V C -0.486 175.754 176.094 0.244 0.000 1.042 935 V CA -0.199 62.221 62.300 0.201 0.000 0.872 935 V CB 1.684 33.587 31.823 0.134 0.000 0.998 935 V HN 0.782 nan 8.190 nan 0.000 0.423 936 I N 4.564 125.225 120.570 0.151 0.000 2.307 936 I HA 0.366 4.542 4.170 0.009 0.000 0.287 936 I C 0.331 176.458 176.117 0.018 0.000 1.054 936 I CA -0.207 61.144 61.300 0.084 0.000 1.218 936 I CB 0.794 38.803 38.000 0.015 0.000 1.398 936 I HN 0.467 nan 8.210 nan 0.000 0.475 937 K N 5.553 126.042 120.400 0.149 0.000 2.264 937 K HA 0.253 4.579 4.320 0.009 0.000 0.277 937 K C 0.581 177.157 176.600 -0.039 0.000 1.067 937 K CA -0.458 55.897 56.287 0.113 0.000 0.900 937 K CB 0.635 33.303 32.500 0.279 0.000 1.124 937 K HN 0.562 nan 8.250 nan 0.000 0.469 938 H N 0.819 119.904 119.070 0.025 0.000 2.465 938 H HA -0.075 4.487 4.556 0.009 0.000 0.289 938 H C 0.656 175.856 175.328 -0.214 0.000 1.022 938 H CA 0.789 56.706 56.048 -0.218 0.000 1.340 938 H CB 0.513 30.196 29.762 -0.132 0.000 1.437 938 H HN 0.708 nan 8.280 nan 0.000 0.539 939 D N -0.321 120.094 120.400 0.025 0.000 2.530 939 D HA 0.005 4.651 4.640 0.009 0.000 0.282 939 D C 0.471 176.777 176.300 0.009 0.000 1.204 939 D CA -0.501 53.498 54.000 -0.002 0.000 1.093 939 D CB 0.497 41.304 40.800 0.012 0.000 1.154 939 D HN -0.001 nan 8.370 nan 0.000 0.593 940 N N -1.347 117.359 118.700 0.009 0.000 2.232 940 N HA -0.017 4.729 4.740 0.009 0.000 0.240 940 N C -0.399 175.116 175.510 0.007 0.000 1.307 940 N CA -0.146 52.916 53.050 0.020 0.000 0.859 940 N CB 1.088 39.585 38.487 0.016 0.000 1.260 940 N HN 0.296 nan 8.380 nan 0.000 0.501 941 Q N 2.341 122.143 119.800 0.002 0.000 2.431 941 Q HA 0.015 4.361 4.340 0.009 0.000 0.234 941 Q C -0.342 175.649 176.000 -0.015 0.000 1.203 941 Q CA 0.126 55.925 55.803 -0.007 0.000 0.902 941 Q CB 0.146 28.880 28.738 -0.007 0.000 1.455 941 Q HN 0.406 nan 8.270 nan 0.000 0.515 942 E N 0.986 121.173 120.200 -0.021 0.000 3.197 942 E HA -0.069 4.287 4.350 0.009 0.000 0.251 942 E C -0.887 175.682 176.600 -0.052 0.000 0.912 942 E CA 0.301 56.677 56.400 -0.039 0.000 0.960 942 E CB 0.171 29.846 29.700 -0.043 0.000 0.897 942 E HN 0.230 nan 8.360 nan 0.000 0.550 943 S N 3.621 119.279 115.700 -0.071 0.000 2.681 943 S HA 0.590 5.065 4.470 0.009 0.000 0.299 943 S C -0.572 173.961 174.600 -0.112 0.000 1.113 943 S CA -1.164 56.989 58.200 -0.079 0.000 1.013 943 S CB 1.630 64.790 63.200 -0.068 0.000 1.076 943 S HN 0.514 nan 8.310 nan 0.000 0.534 944 L N 2.129 123.283 121.223 -0.115 0.000 2.325 944 L HA 0.546 4.891 4.340 0.009 0.000 0.281 944 L C -1.368 175.398 176.870 -0.172 0.000 1.004 944 L CA -0.706 54.042 54.840 -0.152 0.000 0.823 944 L CB 0.970 42.940 42.059 -0.148 0.000 1.236 944 L HN 0.602 nan 8.230 nan 0.000 0.415 945 I N 5.179 125.622 120.570 -0.212 0.000 2.315 945 I HA 0.257 4.433 4.170 0.009 0.000 0.291 945 I C 0.915 176.755 176.117 -0.462 0.000 1.006 945 I CA -0.248 60.899 61.300 -0.256 0.000 1.265 945 I CB 0.556 38.418 38.000 -0.230 0.000 1.387 945 I HN 0.821 nan 8.210 nan 0.000 0.475 946 N N 5.095 123.568 118.700 -0.378 0.000 2.725 946 N HA -0.295 4.451 4.740 0.009 0.000 0.249 946 N C 0.338 175.618 175.510 -0.383 0.000 1.103 946 N CA 1.141 53.969 53.050 -0.369 0.000 0.707 946 N CB -1.120 36.980 38.487 -0.645 0.000 1.043 946 N HN 0.882 nan 8.380 nan 0.000 0.553 947 N N -3.011 115.506 118.700 -0.305 0.000 2.732 947 N HA -0.372 4.374 4.740 0.009 0.000 0.250 947 N C 0.655 175.938 175.510 -0.379 0.000 1.097 947 N CA 1.664 54.552 53.050 -0.270 0.000 0.812 947 N CB -1.123 37.249 38.487 -0.191 0.000 1.148 947 N HN 0.882 nan 8.380 nan 0.000 0.572 948 Q N -1.444 117.979 119.800 -0.628 0.000 2.404 948 Q HA 0.267 4.613 4.340 0.009 0.000 0.262 948 Q C -0.489 174.973 176.000 -0.896 0.000 0.846 948 Q CA -0.043 55.257 55.803 -0.839 0.000 0.978 948 Q CB 0.422 28.456 28.738 -1.174 0.000 1.156 948 Q HN 0.250 nan 8.270 nan 0.000 0.548 949 F N 2.116 121.809 119.950 -0.430 0.000 2.415 949 F HA 0.471 5.004 4.527 0.010 0.000 0.348 949 F C -0.028 175.579 175.800 -0.321 0.000 1.119 949 F CA -1.099 56.661 58.000 -0.401 0.000 1.069 949 F CB 1.328 40.016 39.000 -0.521 0.000 1.124 949 F HN -0.208 nan 8.300 nan 0.000 0.472 950 K N 4.858 125.205 120.400 -0.089 0.000 2.267 950 K HA 0.501 4.827 4.320 0.009 0.000 0.282 950 K C -0.721 175.789 176.600 -0.151 0.000 1.078 950 K CA -0.197 56.019 56.287 -0.119 0.000 0.903 950 K CB 0.533 32.976 32.500 -0.095 0.000 1.111 950 K HN 0.602 nan 8.250 nan 0.000 0.475 951 M N 3.161 122.642 119.600 -0.199 0.000 2.393 951 M HA 0.277 4.762 4.480 0.009 0.000 0.316 951 M C 0.185 176.403 176.300 -0.137 0.000 1.087 951 M CA -0.551 54.582 55.300 -0.279 0.000 0.937 951 M CB 1.766 34.039 32.600 -0.546 0.000 1.668 951 M HN 0.656 nan 8.290 nan 0.000 0.438 952 N N 0.802 119.469 118.700 -0.056 0.000 2.509 952 N HA 0.141 4.887 4.740 0.009 0.000 0.254 952 N C -0.191 175.350 175.510 0.053 0.000 1.064 952 N CA -0.569 52.475 53.050 -0.010 0.000 0.865 952 N CB 0.684 39.158 38.487 -0.023 0.000 1.659 952 N HN 0.463 nan 8.380 nan 0.000 0.495 953 K N 1.427 121.885 120.400 0.096 0.000 2.295 953 K HA 0.431 4.757 4.320 0.009 0.000 0.270 953 K C -0.256 176.518 176.600 0.290 0.000 1.011 953 K CA -0.389 55.984 56.287 0.144 0.000 0.953 953 K CB 1.317 33.864 32.500 0.078 0.000 0.956 953 K HN 0.251 nan 8.250 nan 0.000 0.477 954 A N 1.448 124.402 122.820 0.224 0.000 2.386 954 A HA 0.609 4.934 4.320 0.009 0.000 0.248 954 A C 0.540 178.347 177.584 0.372 0.000 1.082 954 A CA 0.686 52.856 52.037 0.222 0.000 0.789 954 A CB 0.297 19.305 19.000 0.014 0.000 1.025 954 A HN 0.837 nan 8.150 nan 0.000 0.490 955 G N -0.630 108.421 108.800 0.418 0.000 2.339 955 G HA2 0.346 4.312 3.960 0.009 0.000 0.275 955 G HA3 0.346 4.312 3.960 0.009 0.000 0.275 955 G C -1.399 173.535 174.900 0.056 0.000 1.323 955 G CA -0.732 44.485 45.100 0.195 0.000 0.927 955 G HN 0.957 nan 8.290 nan 0.000 0.486 956 L N 0.473 121.525 121.223 -0.286 0.000 2.313 956 L HA 0.653 4.999 4.340 0.009 0.000 0.283 956 L C -1.110 175.638 176.870 -0.204 0.000 1.013 956 L CA -0.746 54.021 54.840 -0.122 0.000 0.816 956 L CB 1.461 43.478 42.059 -0.069 0.000 1.236 956 L HN 0.531 nan 8.230 nan 0.000 0.419 957 Y N 3.691 124.062 120.300 0.117 0.000 2.409 957 Y HA 0.628 5.184 4.550 0.009 0.000 0.343 957 Y C -0.307 175.637 175.900 0.074 0.000 0.973 957 Y CA -0.671 57.507 58.100 0.130 0.000 1.064 957 Y CB 2.141 40.672 38.460 0.118 0.000 1.207 957 Y HN 0.364 nan 8.280 nan 0.000 0.452 958 L N 4.132 125.475 121.223 0.201 0.000 2.404 958 L HA 0.694 5.039 4.340 0.009 0.000 0.272 958 L C -1.456 175.460 176.870 0.077 0.000 0.980 958 L CA -0.860 54.054 54.840 0.124 0.000 0.836 958 L CB 1.707 43.818 42.059 0.086 0.000 1.238 958 L HN 0.393 nan 8.230 nan 0.000 0.408 959 V N 3.074 123.018 119.914 0.049 0.000 2.483 959 V HA 0.483 4.608 4.120 0.009 0.000 0.297 959 V C -0.559 175.623 176.094 0.146 0.000 1.027 959 V CA -0.587 61.696 62.300 -0.029 0.000 0.855 959 V CB 1.766 33.311 31.823 -0.463 0.000 0.995 959 V HN 0.757 nan 8.190 nan 0.000 0.424 960 Q N 2.684 122.582 119.800 0.164 0.000 2.375 960 Q HA 0.546 4.891 4.340 0.009 0.000 0.271 960 Q C -0.730 175.366 176.000 0.159 0.000 1.074 960 Q CA -0.978 54.913 55.803 0.146 0.000 0.808 960 Q CB 2.437 31.115 28.738 -0.100 0.000 1.327 960 Q HN 0.698 nan 8.270 nan 0.000 0.441 961 K N 1.873 122.300 120.400 0.044 0.000 2.383 961 K HA 0.295 4.621 4.320 0.009 0.000 0.286 961 K C -1.432 175.057 176.600 -0.186 0.000 1.051 961 K CA -0.111 55.992 56.287 -0.308 0.000 0.974 961 K CB 0.907 33.266 32.500 -0.235 0.000 0.968 961 K HN 0.336 nan 8.250 nan 0.000 0.475 962 V N 6.078 125.874 119.914 -0.196 0.000 2.439 962 V HA 0.596 4.722 4.120 0.009 0.000 0.277 962 V C 0.163 176.201 176.094 -0.093 0.000 1.008 962 V CA 0.792 63.031 62.300 -0.102 0.000 0.846 962 V CB 0.167 31.959 31.823 -0.051 0.000 1.031 962 V HN 1.116 nan 8.190 nan 0.000 0.441 963 G N 6.291 115.041 108.800 -0.082 0.000 2.527 963 G HA2 -0.247 3.718 3.960 0.009 0.000 0.262 963 G HA3 -0.247 3.718 3.960 0.009 0.000 0.262 963 G C 0.235 175.087 174.900 -0.080 0.000 1.153 963 G CA 0.387 45.452 45.100 -0.060 0.000 0.954 963 G HN 0.861 nan 8.290 nan 0.000 0.552 964 N N 3.114 121.778 118.700 -0.059 0.000 2.467 964 N HA 0.391 5.137 4.740 0.009 0.000 0.278 964 N C -0.857 174.628 175.510 -0.041 0.000 1.306 964 N CA 0.828 53.847 53.050 -0.052 0.000 0.905 964 N CB 0.441 38.917 38.487 -0.017 0.000 1.236 964 N HN 0.677 nan 8.380 nan 0.000 0.509 965 D N -1.131 119.215 120.400 -0.090 0.000 2.825 965 D HA 0.357 5.003 4.640 0.009 0.000 0.327 965 D C -1.169 175.056 176.300 -0.125 0.000 1.277 965 D CA -0.427 53.568 54.000 -0.009 0.000 0.950 965 D CB 0.770 41.594 40.800 0.039 0.000 1.438 965 D HN -0.089 nan 8.370 nan 0.000 0.526 966 Y N -0.074 120.271 120.300 0.075 0.000 2.406 966 Y HA 0.366 4.921 4.550 0.010 0.000 0.340 966 Y C -0.453 175.464 175.900 0.028 0.000 0.975 966 Y CA -0.876 57.265 58.100 0.068 0.000 1.056 966 Y CB 2.403 40.927 38.460 0.107 0.000 1.210 966 Y HN 0.277 nan 8.280 nan 0.000 0.448 967 Q N 3.265 123.162 119.800 0.161 0.000 2.235 967 Q HA 0.574 4.919 4.340 0.009 0.000 0.256 967 Q C -1.348 174.700 176.000 0.080 0.000 0.951 967 Q CA -0.729 55.130 55.803 0.093 0.000 0.890 967 Q CB 1.431 30.198 28.738 0.048 0.000 1.279 967 Q HN 0.884 nan 8.270 nan 0.000 0.444 968 N N -0.064 118.675 118.700 0.064 0.000 2.823 968 N HA 0.552 5.297 4.740 0.009 0.000 0.251 968 N C -1.732 173.825 175.510 0.079 0.000 1.392 968 N CA -0.587 52.498 53.050 0.060 0.000 0.864 968 N CB 1.617 40.127 38.487 0.038 0.000 1.481 968 N HN 0.385 nan 8.380 nan 0.000 0.508 969 V N -3.087 116.886 119.914 0.097 0.000 2.888 969 V HA 0.775 4.901 4.120 0.009 0.000 0.309 969 V C -1.599 174.578 176.094 0.139 0.000 1.114 969 V CA -0.863 61.498 62.300 0.102 0.000 0.940 969 V CB 1.295 33.152 31.823 0.057 0.000 1.021 969 V HN 0.933 nan 8.190 nan 0.000 0.426 970 Y N 4.016 124.303 120.300 -0.021 0.000 2.462 970 Y HA 0.812 5.368 4.550 0.009 0.000 0.346 970 Y C -1.861 174.013 175.900 -0.043 0.000 0.976 970 Y CA -1.317 56.691 58.100 -0.154 0.000 1.044 970 Y CB 2.307 40.625 38.460 -0.237 0.000 1.230 970 Y HN 0.905 nan 8.280 nan 0.000 0.455 971 Y N 5.462 125.130 120.300 -1.053 0.000 2.406 971 Y HA 0.428 4.984 4.550 0.010 0.000 0.340 971 Y C -1.235 174.068 175.900 -0.994 0.000 0.975 971 Y CA -0.928 56.704 58.100 -0.780 0.000 1.056 971 Y CB 1.648 39.862 38.460 -0.409 0.000 1.210 971 Y HN 0.640 nan 8.280 nan 0.000 0.448 972 Q N 8.658 127.789 119.800 -1.116 0.000 2.430 972 Q HA 0.334 4.680 4.340 0.009 0.000 0.245 972 Q C -2.268 173.159 176.000 -0.956 0.000 1.021 972 Q CA -2.545 52.812 55.803 -0.742 0.000 0.867 972 Q CB 1.745 30.309 28.738 -0.290 0.000 1.210 972 Q HN 0.504 nan 8.270 nan 0.000 0.487 973 P HA -0.220 nan 4.420 nan 0.000 0.215 973 P C 1.036 178.167 177.300 -0.282 0.000 1.157 973 P CA 1.362 64.106 63.100 -0.594 0.000 0.874 973 P CB 0.300 31.679 31.700 -0.536 0.000 0.790 974 Q N -0.402 119.336 119.800 -0.103 0.000 1.975 974 Q HA -0.160 4.186 4.340 0.009 0.000 0.205 974 Q C 1.754 177.726 176.000 -0.047 0.000 0.990 974 Q CA 2.849 58.647 55.803 -0.008 0.000 0.845 974 Q CB -0.701 28.078 28.738 0.069 0.000 0.913 974 Q HN 0.273 nan 8.270 nan 0.000 0.420 975 T N -2.234 112.274 114.554 -0.076 0.000 3.148 975 T HA 0.130 4.485 4.350 0.009 0.000 0.253 975 T C 0.790 175.440 174.700 -0.083 0.000 1.134 975 T CA 0.327 62.396 62.100 -0.052 0.000 1.051 975 T CB -0.189 68.663 68.868 -0.026 0.000 0.959 975 T HN 0.425 nan 8.240 nan 0.000 0.525 976 M N 1.829 121.310 119.600 -0.198 0.000 2.350 976 M HA -0.138 4.348 4.480 0.009 0.000 0.190 976 M C -0.996 175.261 176.300 -0.071 0.000 0.710 976 M CA 0.446 55.641 55.300 -0.176 0.000 0.495 976 M CB -1.751 30.874 32.600 0.042 0.000 1.136 976 M HN 0.380 nan 8.290 nan 0.000 0.901 977 T N -0.047 114.381 114.554 -0.210 0.000 2.824 977 T HA 0.573 4.929 4.350 0.009 0.000 0.282 977 T C -0.308 174.421 174.700 0.049 0.000 0.993 977 T CA -0.948 61.140 62.100 -0.020 0.000 0.967 977 T CB 2.369 71.236 68.868 -0.001 0.000 0.960 977 T HN 0.321 nan 8.240 nan 0.000 0.441 978 K N 2.178 122.678 120.400 0.167 0.000 2.240 978 K HA 0.525 4.850 4.320 0.009 0.000 0.271 978 K C -0.821 175.858 176.600 0.132 0.000 1.018 978 K CA -0.279 56.116 56.287 0.179 0.000 0.874 978 K CB 0.719 33.303 32.500 0.140 0.000 1.098 978 K HN 0.517 nan 8.250 nan 0.000 0.458 979 T N 4.128 118.781 114.554 0.164 0.000 2.770 979 T HA 0.265 4.621 4.350 0.009 0.000 0.283 979 T C -1.156 173.625 174.700 0.135 0.000 0.988 979 T CA -0.760 61.441 62.100 0.168 0.000 0.957 979 T CB 0.717 69.733 68.868 0.247 0.000 0.930 979 T HN 0.528 nan 8.240 nan 0.000 0.443 980 D N 3.820 124.276 120.400 0.095 0.000 2.274 980 D HA 0.151 4.797 4.640 0.009 0.000 0.239 980 D C 0.118 176.461 176.300 0.072 0.000 1.104 980 D CA -0.166 53.880 54.000 0.078 0.000 0.840 980 D CB 1.085 41.921 40.800 0.059 0.000 1.100 980 D HN 0.423 nan 8.370 nan 0.000 0.477 981 Q N 1.346 121.190 119.800 0.074 0.000 2.459 981 Q HA -0.172 4.174 4.340 0.009 0.000 0.314 981 Q C -0.618 175.416 176.000 0.057 0.000 1.432 981 Q CA 0.304 56.145 55.803 0.064 0.000 0.823 981 Q CB -0.912 27.859 28.738 0.054 0.000 1.124 981 Q HN 0.541 nan 8.270 nan 0.000 0.392 982 L N -0.419 120.843 121.223 0.065 0.000 2.418 982 L HA 0.558 4.904 4.340 0.009 0.000 0.265 982 L C 0.279 177.163 176.870 0.023 0.000 1.143 982 L CA 0.568 55.429 54.840 0.034 0.000 0.809 982 L CB 1.075 43.139 42.059 0.009 0.000 1.124 982 L HN 0.395 nan 8.230 nan 0.000 0.456 983 A N 6.480 129.301 122.820 0.001 0.000 2.526 983 A HA 0.238 4.564 4.320 0.009 0.000 0.267 983 A C 0.027 177.608 177.584 -0.006 0.000 1.095 983 A CA 0.277 52.313 52.037 -0.001 0.000 0.775 983 A CB -0.474 18.518 19.000 -0.013 0.000 1.036 983 A HN 0.799 nan 8.150 nan 0.000 0.510 984 I N 0.000 120.575 120.570 0.009 0.000 2.984 984 I HA 0.000 4.176 4.170 0.009 0.000 0.288 984 I CA 0.000 61.302 61.300 0.003 0.000 1.566 984 I CB 0.000 37.991 38.000 -0.015 0.000 1.214 984 I HN 0.000 nan 8.210 nan 0.000 0.494