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 3n9n_1_A DATA FIRST_RESID 192 DATA SEQUENCE PKESDRCGGC GKFTHEDXXX XXXXXXXXXX XXXXXXXXXX XXXKKNDFQW DATA SEQUENCE IGCDSCQTWY HFLCSGLEQF EYYLYEKFFC PKCVPHTGHS IRYKVVAPHR DATA SEQUENCE YRWYSPNEKH LGIEVGSKTW IEDFITRENT VPSPTDDEVC IVEDGYEFRR DATA SEQUENCE EFEKLGGADN WGKVFMVKDM DGLNMTMPKP GFDLEDVVKI MGSDYEVDTI DATA SEQUENCE DVYNQSTYSM KLDTFRKLFR DTKNRPLLYN FLSLEFSDNN EMKEIAKPPR DATA SEQUENCE FVQEISMVNR LWPDVSGAEY IKLLQREEYL PEDQRPKVEQ FCLAGMAGSY DATA SEQUENCE TDFHVDFGGS SVYYHILKGE KIFYIAAPTE QNFAAYQAHE TSPDTTTWFG DATA SEQUENCE DIANGAVKRV VIKEGQTLLI PAGWIHAVLT PVDSLVFGGN FLHLGNLEMQ DATA SEQUENCE MRVYHLENAI RKEIRSEEKF YFPNFELLHW MYMRNVLLEK ITEANQEGSD DATA SEQUENCE MREQEKNIWT ASQIMKAEME RWMDRELRLG PEKNAILPTD DKNKIMISVR DATA SEQUENCE KQIEIQTKIQ NAK 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 192 P HA 0.000 nan 4.420 nan 0.000 0.216 192 P C 0.000 177.208 177.300 -0.153 0.000 1.155 192 P CA 0.000 62.898 63.100 -0.336 0.000 0.800 192 P CB 0.000 31.302 31.700 -0.664 0.000 0.726 193 K N 0.410 120.777 120.400 -0.055 0.000 2.670 193 K HA 0.190 4.510 4.320 -0.000 0.000 0.274 193 K C 0.264 177.072 176.600 0.346 0.000 1.068 193 K CA -0.148 56.213 56.287 0.124 0.000 0.967 193 K CB 1.280 33.808 32.500 0.046 0.000 1.297 193 K HN -0.104 nan 8.250 nan 0.000 0.477 194 E N 0.512 120.863 120.200 0.252 0.000 2.130 194 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 194 E C 1.326 177.968 176.600 0.071 0.000 0.998 194 E CA 2.059 58.562 56.400 0.173 0.000 0.806 194 E CB 0.020 29.775 29.700 0.092 0.000 0.738 194 E HN 0.705 nan 8.360 nan 0.000 0.459 195 S N 0.636 116.384 115.700 0.080 0.000 2.469 195 S HA -0.115 4.355 4.470 -0.000 0.000 0.238 195 S C 1.062 175.703 174.600 0.069 0.000 0.998 195 S CA 0.963 59.202 58.200 0.066 0.000 0.957 195 S CB 0.037 63.282 63.200 0.075 0.000 0.764 195 S HN 0.045 nan 8.310 nan 0.000 0.514 196 D N 0.934 121.364 120.400 0.050 0.000 2.340 196 D HA 0.152 4.792 4.640 -0.000 0.000 0.217 196 D C 0.440 176.658 176.300 -0.137 0.000 1.081 196 D CA 0.036 53.981 54.000 -0.091 0.000 0.842 196 D CB 0.049 40.817 40.800 -0.053 0.000 0.934 196 D HN 0.435 nan 8.370 nan 0.000 0.511 197 R N 0.760 121.118 120.500 -0.236 0.000 2.308 197 R HA 0.244 4.584 4.340 -0.000 0.000 0.305 197 R C -0.335 175.879 176.300 -0.143 0.000 1.053 197 R CA -0.397 55.395 56.100 -0.512 0.000 0.957 197 R CB 0.968 30.798 30.300 -0.783 0.000 1.022 197 R HN -0.006 nan 8.270 nan 0.000 0.461 198 C N 3.247 122.546 119.300 -0.002 0.000 2.657 198 C HA 0.605 5.064 4.460 -0.000 0.000 0.404 198 C C 1.349 176.260 174.990 -0.133 0.000 1.291 198 C CA 1.182 60.154 59.018 -0.076 0.000 2.218 198 C CB 0.200 27.816 27.740 -0.207 0.000 2.687 198 C HN 1.015 nan 8.230 nan 0.000 0.634 199 G N 1.974 110.680 108.800 -0.157 0.000 4.314 199 G HA2 0.495 4.454 3.960 -0.000 0.000 0.131 199 G HA3 0.495 4.454 3.960 -0.000 0.000 0.131 199 G C 0.108 174.958 174.900 -0.082 0.000 1.870 199 G CA 0.652 45.549 45.100 -0.338 0.000 0.933 199 G HN 1.913 nan 8.290 nan 0.000 0.294 200 G N -2.297 106.600 108.800 0.161 0.000 2.333 200 G HA2 0.470 4.430 3.960 -0.000 0.000 0.288 200 G HA3 0.470 4.430 3.960 -0.000 0.000 0.288 200 G C 0.769 175.735 174.900 0.110 0.000 1.286 200 G CA 1.488 46.659 45.100 0.118 0.000 0.865 200 G HN 2.004 nan 8.290 nan 0.000 0.506 201 C N -1.809 117.535 119.300 0.073 0.000 5.885 201 C HA -0.086 4.373 4.460 -0.000 0.000 0.328 201 C C 2.609 177.613 174.990 0.022 0.000 2.430 201 C CA 2.855 61.905 59.018 0.053 0.000 2.194 201 C CB -1.134 26.678 27.740 0.120 0.000 3.233 201 C HN 3.239 nan 8.230 nan 0.000 0.263 202 G N 1.982 110.781 108.800 -0.002 0.000 2.450 202 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.302 202 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.302 202 G C -0.218 174.643 174.900 -0.065 0.000 0.957 202 G CA 1.962 47.032 45.100 -0.049 0.000 1.005 202 G HN 1.231 nan 8.290 nan 0.000 0.514 203 K N -2.041 118.336 120.400 -0.038 0.000 2.482 203 K HA 0.708 5.027 4.320 -0.000 0.000 0.257 203 K C 0.493 177.148 176.600 0.092 0.000 0.969 203 K CA -1.075 55.225 56.287 0.022 0.000 0.842 203 K CB 0.783 33.341 32.500 0.096 0.000 1.359 203 K HN -0.144 nan 8.250 nan 0.000 0.441 204 F N -0.076 120.035 119.950 0.268 0.000 2.262 204 F HA 0.122 4.649 4.527 -0.000 0.000 0.292 204 F C 0.690 176.806 175.800 0.526 0.000 1.081 204 F CA 0.492 58.700 58.000 0.346 0.000 1.355 204 F CB 0.715 39.826 39.000 0.185 0.000 1.069 204 F HN 0.311 nan 8.300 nan 0.000 0.506 205 T N -0.042 114.841 114.554 0.549 0.000 2.809 205 T HA 0.156 4.506 4.350 -0.000 0.000 0.284 205 T C -0.630 174.191 174.700 0.203 0.000 0.992 205 T CA -0.518 61.839 62.100 0.429 0.000 0.957 205 T CB 0.972 70.013 68.868 0.288 0.000 0.942 205 T HN 0.026 nan 8.240 nan 0.000 0.439 206 H N 3.245 122.198 119.070 -0.195 0.000 2.871 206 H HA 0.000 4.556 4.556 -0.000 0.000 0.355 206 H C 1.562 176.803 175.328 -0.144 0.000 1.092 206 H CA 0.584 56.336 56.048 -0.494 0.000 1.420 206 H CB 0.999 30.155 29.762 -1.010 0.000 1.400 206 H HN 0.903 nan 8.280 nan 0.000 0.604 207 E N 2.883 122.939 120.200 -0.241 0.000 2.065 207 E HA -0.212 4.137 4.350 -0.000 0.000 0.201 207 E C -0.133 176.530 176.600 0.105 0.000 1.016 207 E CA 1.101 57.479 56.400 -0.037 0.000 0.818 207 E CB -0.083 29.556 29.700 -0.101 0.000 0.749 207 E HN 0.563 nan 8.360 nan 0.000 0.453 236 K N 1.791 122.145 120.400 -0.076 0.000 2.316 236 K HA 0.311 4.631 4.320 -0.000 0.000 0.267 236 K C 0.165 176.660 176.600 -0.175 0.000 1.025 236 K CA -0.513 55.698 56.287 -0.126 0.000 0.896 236 K CB 1.392 33.815 32.500 -0.129 0.000 1.124 236 K HN 0.222 nan 8.250 nan 0.000 0.451 237 N N 2.445 120.983 118.700 -0.270 0.000 2.430 237 N HA -0.223 4.516 4.740 -0.000 0.000 0.186 237 N C -0.235 175.074 175.510 -0.336 0.000 1.032 237 N CA 1.420 54.257 53.050 -0.356 0.000 0.893 237 N CB 0.042 38.063 38.487 -0.777 0.000 0.957 237 N HN 0.975 nan 8.380 nan 0.000 0.442 238 D N -1.211 118.957 120.400 -0.388 0.000 3.307 238 D HA -0.291 4.349 4.640 -0.000 0.000 0.197 238 D C -1.020 174.907 176.300 -0.622 0.000 1.363 238 D CA 1.692 55.388 54.000 -0.507 0.000 1.100 238 D CB -0.941 39.684 40.800 -0.291 0.000 0.616 238 D HN 0.124 nan 8.370 nan 0.000 0.719 239 F N 1.275 121.212 119.950 -0.021 0.000 2.389 239 F HA 0.418 4.945 4.527 -0.000 0.000 0.327 239 F C -0.077 175.808 175.800 0.143 0.000 1.204 239 F CA -0.319 57.720 58.000 0.065 0.000 1.209 239 F CB 0.641 39.716 39.000 0.124 0.000 1.460 239 F HN 0.097 nan 8.300 nan 0.000 0.537 240 Q N 0.750 120.658 119.800 0.180 0.000 2.347 240 Q HA 0.476 4.815 4.340 -0.000 0.000 0.271 240 Q C -1.567 174.720 176.000 0.478 0.000 1.064 240 Q CA -0.784 55.215 55.803 0.327 0.000 0.800 240 Q CB 2.959 31.647 28.738 -0.083 0.000 1.304 240 Q HN 0.386 nan 8.270 nan 0.000 0.438 241 W N 2.030 123.640 121.300 0.517 0.000 2.864 241 W HA 0.709 5.369 4.660 -0.000 0.000 0.343 241 W C -0.559 176.013 176.519 0.087 0.000 1.109 241 W CA -0.542 56.972 57.345 0.282 0.000 1.192 241 W CB 1.323 30.872 29.460 0.148 0.000 1.426 241 W HN 0.458 nan 8.180 nan 0.000 0.529 242 I N 1.365 122.011 120.570 0.127 0.000 2.647 242 I HA 0.800 4.970 4.170 -0.000 0.000 0.295 242 I C -0.148 176.105 176.117 0.226 0.000 1.078 242 I CA -0.802 60.481 61.300 -0.029 0.000 1.048 242 I CB 1.719 39.211 38.000 -0.846 0.000 1.239 242 I HN 0.521 nan 8.210 nan 0.000 0.421 243 G N 5.165 113.858 108.800 -0.178 0.000 2.379 243 G HA2 0.394 4.354 3.960 -0.000 0.000 0.327 243 G HA3 0.394 4.354 3.960 -0.000 0.000 0.327 243 G C -1.072 173.760 174.900 -0.114 0.000 1.145 243 G CA -0.419 44.259 45.100 -0.704 0.000 0.905 243 G HN 0.727 nan 8.290 nan 0.000 0.466 244 C N 2.739 122.000 119.300 -0.065 0.000 2.566 244 C HA 0.248 4.708 4.460 -0.000 0.000 0.393 244 C C 1.148 176.090 174.990 -0.080 0.000 1.309 244 C CA -0.665 58.319 59.018 -0.056 0.000 1.801 244 C CB -0.489 27.191 27.740 -0.100 0.000 2.493 244 C HN 0.770 nan 8.230 nan 0.000 0.575 245 D N 2.728 123.142 120.400 0.023 0.000 2.371 245 D HA -0.048 4.592 4.640 -0.000 0.000 0.221 245 D C 1.807 178.153 176.300 0.078 0.000 0.986 245 D CA 0.970 54.998 54.000 0.048 0.000 0.899 245 D CB 0.332 41.170 40.800 0.064 0.000 0.902 245 D HN 0.680 nan 8.370 nan 0.000 0.530 246 S N -0.273 115.439 115.700 0.020 0.000 2.541 246 S HA -0.057 4.412 4.470 -0.000 0.000 0.219 246 S C 2.066 176.612 174.600 -0.091 0.000 1.025 246 S CA 0.666 58.818 58.200 -0.080 0.000 0.917 246 S CB -0.210 62.800 63.200 -0.317 0.000 0.859 246 S HN 0.473 nan 8.310 nan 0.000 0.584 247 C N 1.578 120.812 119.300 -0.110 0.000 2.696 247 C HA 0.448 4.908 4.460 -0.000 0.000 0.264 247 C C 0.999 175.940 174.990 -0.082 0.000 1.288 247 C CA 0.270 59.242 59.018 -0.077 0.000 1.717 247 C CB -0.563 27.142 27.740 -0.058 0.000 1.893 247 C HN 0.609 nan 8.230 nan 0.000 0.577 248 Q N 0.811 120.542 119.800 -0.115 0.000 2.305 248 Q HA -0.191 4.149 4.340 -0.000 0.000 0.203 248 Q C 0.418 176.270 176.000 -0.247 0.000 0.663 248 Q CA 1.987 57.684 55.803 -0.176 0.000 1.389 248 Q CB -2.861 25.813 28.738 -0.106 0.000 1.566 248 Q HN 0.989 nan 8.270 nan 0.000 0.755 249 T N -2.654 111.793 114.554 -0.179 0.000 2.889 249 T HA 0.450 4.800 4.350 -0.000 0.000 0.291 249 T C 0.072 174.624 174.700 -0.248 0.000 0.995 249 T CA -0.600 61.386 62.100 -0.191 0.000 1.092 249 T CB 0.899 69.654 68.868 -0.188 0.000 0.954 249 T HN 0.227 nan 8.240 nan 0.000 0.506 250 W N 1.682 122.915 121.300 -0.111 0.000 2.313 250 W HA 0.552 5.212 4.660 -0.000 0.000 0.328 250 W C -0.657 175.823 176.519 -0.065 0.000 1.197 250 W CA -0.605 56.762 57.345 0.037 0.000 1.235 250 W CB 0.741 30.226 29.460 0.041 0.000 1.158 250 W HN 0.631 nan 8.180 nan 0.000 0.578 251 Y N 0.533 121.136 120.300 0.505 0.000 2.442 251 Y HA 0.243 4.793 4.550 -0.000 0.000 0.344 251 Y C 0.040 175.968 175.900 0.046 0.000 0.976 251 Y CA -1.310 56.921 58.100 0.219 0.000 1.040 251 Y CB 1.171 39.726 38.460 0.159 0.000 1.228 251 Y HN 0.333 nan 8.280 nan 0.000 0.451 252 H N 2.463 121.496 119.070 -0.062 0.000 3.001 252 H HA -0.026 4.529 4.556 -0.000 0.000 0.334 252 H C 0.408 175.693 175.328 -0.072 0.000 1.034 252 H CA 0.315 56.157 56.048 -0.343 0.000 1.420 252 H CB 0.637 30.244 29.762 -0.259 0.000 1.405 252 H HN 0.739 nan 8.280 nan 0.000 0.593 253 F N 1.328 121.225 119.950 -0.089 0.000 2.115 253 F HA -0.249 4.277 4.527 -0.000 0.000 0.300 253 F C 1.958 177.771 175.800 0.022 0.000 1.092 253 F CA 1.232 59.142 58.000 -0.151 0.000 1.245 253 F CB -0.193 38.559 39.000 -0.414 0.000 0.995 253 F HN 0.523 nan 8.300 nan 0.000 0.481 254 L N -1.548 119.769 121.223 0.157 0.000 2.622 254 L HA -0.169 4.171 4.340 -0.000 0.000 0.233 254 L C 1.228 178.220 176.870 0.202 0.000 1.156 254 L CA 0.263 55.187 54.840 0.139 0.000 0.866 254 L CB -0.554 41.491 42.059 -0.023 0.000 0.980 254 L HN 0.302 nan 8.230 nan 0.000 0.448 255 C N -1.772 117.667 119.300 0.231 0.000 3.336 255 C HA 0.062 4.522 4.460 -0.000 0.000 0.291 255 C C 2.524 177.642 174.990 0.214 0.000 1.363 255 C CA 0.248 59.422 59.018 0.259 0.000 1.737 255 C CB -0.260 27.686 27.740 0.345 0.000 2.274 255 C HN 0.590 nan 8.230 nan 0.000 0.663 256 S N 0.199 115.974 115.700 0.125 0.000 2.527 256 S HA 0.274 4.744 4.470 -0.000 0.000 0.222 256 S C 1.719 176.332 174.600 0.023 0.000 0.985 256 S CA 1.218 59.408 58.200 -0.016 0.000 0.921 256 S CB -0.263 62.857 63.200 -0.132 0.000 0.772 256 S HN 0.995 nan 8.310 nan 0.000 0.529 257 G N 0.944 109.789 108.800 0.074 0.000 2.234 257 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 257 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 257 G C 0.055 175.012 174.900 0.094 0.000 0.987 257 G CA 0.352 45.499 45.100 0.078 0.000 0.625 257 G HN 0.538 nan 8.290 nan 0.000 0.532 258 L N 0.671 121.959 121.223 0.107 0.000 2.466 258 L HA 0.535 4.875 4.340 -0.000 0.000 0.257 258 L C 0.871 177.754 176.870 0.022 0.000 1.189 258 L CA -0.387 54.498 54.840 0.075 0.000 0.813 258 L CB 0.463 42.588 42.059 0.110 0.000 1.118 258 L HN 0.245 nan 8.230 nan 0.000 0.471 259 E N -0.079 120.016 120.200 -0.174 0.000 2.232 259 E HA 0.093 4.443 4.350 -0.000 0.000 0.265 259 E C 0.147 176.335 176.600 -0.686 0.000 1.001 259 E CA -0.574 55.690 56.400 -0.228 0.000 0.870 259 E CB 1.509 31.227 29.700 0.030 0.000 1.175 259 E HN 0.485 nan 8.360 nan 0.000 0.407 260 Q N 1.245 120.670 119.800 -0.626 0.000 2.152 260 Q HA -0.225 4.114 4.340 -0.000 0.000 0.206 260 Q C 1.748 177.308 176.000 -0.733 0.000 0.985 260 Q CA 1.925 57.144 55.803 -0.973 0.000 0.863 260 Q CB -0.199 28.396 28.738 -0.239 0.000 0.904 260 Q HN 0.716 nan 8.270 nan 0.000 0.422 261 F N -0.136 119.575 119.950 -0.397 0.000 2.546 261 F HA -0.000 4.526 4.527 -0.000 0.000 0.298 261 F C 1.120 176.713 175.800 -0.345 0.000 1.120 261 F CA 0.960 58.763 58.000 -0.327 0.000 1.456 261 F CB -0.097 38.876 39.000 -0.046 0.000 1.088 261 F HN 0.045 nan 8.300 nan 0.000 0.572 262 E N -0.886 118.676 120.200 -1.064 0.000 2.415 262 E HA -0.074 4.276 4.350 -0.000 0.000 0.197 262 E C 1.448 177.784 176.600 -0.440 0.000 1.007 262 E CA 0.110 55.982 56.400 -0.880 0.000 0.890 262 E CB -0.356 28.889 29.700 -0.758 0.000 0.891 262 E HN 0.371 nan 8.360 nan 0.000 0.496 263 Y N 0.380 120.516 120.300 -0.274 0.000 2.181 263 Y HA -0.275 4.275 4.550 -0.000 0.000 0.284 263 Y C 2.135 178.008 175.900 -0.045 0.000 1.179 263 Y CA 1.106 59.184 58.100 -0.037 0.000 1.179 263 Y CB -1.006 37.520 38.460 0.110 0.000 0.973 263 Y HN 0.340 nan 8.280 nan 0.000 0.519 264 Y N -2.600 117.641 120.300 -0.099 0.000 2.449 264 Y HA 0.323 4.873 4.550 -0.000 0.000 0.254 264 Y C 1.501 177.230 175.900 -0.284 0.000 1.140 264 Y CA -0.007 57.974 58.100 -0.200 0.000 1.272 264 Y CB -0.739 37.582 38.460 -0.232 0.000 1.114 264 Y HN -0.036 nan 8.280 nan 0.000 0.525 265 L N -0.279 120.421 121.223 -0.871 0.000 2.179 265 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 265 L C -0.166 176.509 176.870 -0.325 0.000 1.096 265 L CA 0.522 54.859 54.840 -0.838 0.000 0.779 265 L CB -0.244 41.202 42.059 -1.022 0.000 0.922 265 L HN 0.152 nan 8.230 nan 0.000 0.443 266 Y N -0.505 119.799 120.300 0.007 0.000 2.328 266 Y HA 0.134 4.684 4.550 -0.000 0.000 0.337 266 Y C 1.136 176.946 175.900 -0.151 0.000 1.008 266 Y CA -1.099 56.982 58.100 -0.031 0.000 1.129 266 Y CB 1.063 39.501 38.460 -0.036 0.000 1.185 266 Y HN -0.069 nan 8.280 nan 0.000 0.476 267 E N 2.110 122.072 120.200 -0.396 0.000 2.158 267 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 267 E C -0.395 175.985 176.600 -0.367 0.000 0.982 267 E CA 0.777 56.668 56.400 -0.850 0.000 0.823 267 E CB 0.394 29.452 29.700 -1.070 0.000 0.766 267 E HN 0.527 nan 8.360 nan 0.000 0.468 268 K N -0.004 120.201 120.400 -0.326 0.000 2.378 268 K HA 0.367 4.687 4.320 -0.000 0.000 0.252 268 K C -1.433 174.923 176.600 -0.406 0.000 0.931 268 K CA -0.760 55.251 56.287 -0.460 0.000 0.794 268 K CB 2.196 34.185 32.500 -0.852 0.000 1.181 268 K HN -0.038 nan 8.250 nan 0.000 0.425 269 F N 2.931 122.685 119.950 -0.327 0.000 2.722 269 F HA 0.334 4.861 4.527 -0.000 0.000 0.336 269 F C -1.353 174.545 175.800 0.163 0.000 1.216 269 F CA -0.414 57.556 58.000 -0.051 0.000 1.065 269 F CB 0.750 39.706 39.000 -0.072 0.000 1.325 269 F HN 0.751 nan 8.300 nan 0.000 0.524 270 F N 4.496 123.958 119.950 -0.813 0.000 2.705 270 F HA -0.209 4.318 4.527 -0.000 0.000 0.381 270 F C 0.630 175.718 175.800 -1.188 0.000 1.023 270 F CA -0.026 57.508 58.000 -0.777 0.000 1.478 270 F CB -1.353 37.388 39.000 -0.433 0.000 1.809 270 F HN 0.832 nan 8.300 nan 0.000 0.637 271 C N -0.927 117.683 119.300 -1.149 0.000 2.560 271 C HA 0.442 4.902 4.460 -0.000 0.000 0.334 271 C C -0.519 174.153 174.990 -0.530 0.000 1.404 271 C CA -0.713 57.713 59.018 -0.987 0.000 2.410 271 C CB 0.840 28.066 27.740 -0.857 0.000 2.268 271 C HN 0.270 nan 8.230 nan 0.000 0.673 272 P HA -0.048 nan 4.420 nan 0.000 0.218 272 P C 0.986 178.164 177.300 -0.203 0.000 1.148 272 P CA 1.675 64.635 63.100 -0.233 0.000 0.822 272 P CB -0.109 31.511 31.700 -0.134 0.000 0.784 273 K N -1.962 118.343 120.400 -0.158 0.000 2.589 273 K HA 0.020 4.340 4.320 -0.000 0.000 0.192 273 K C 0.844 177.348 176.600 -0.161 0.000 1.029 273 K CA 0.500 56.745 56.287 -0.070 0.000 1.031 273 K CB -0.471 32.045 32.500 0.027 0.000 0.821 273 K HN 0.203 nan 8.250 nan 0.000 0.502 274 C N -2.875 116.157 119.300 -0.447 0.000 3.913 274 C HA 0.135 4.595 4.460 -0.000 0.000 0.535 274 C C 2.036 176.438 174.990 -0.980 0.000 1.470 274 C CA -0.444 58.035 59.018 -0.898 0.000 2.358 274 C CB -0.042 27.293 27.740 -0.676 0.000 3.527 274 C HN 0.125 nan 8.230 nan 0.000 0.611 275 V N 2.816 122.343 119.914 -0.645 0.000 2.324 275 V HA -0.152 3.968 4.120 -0.000 0.000 0.250 275 V C -0.524 175.308 176.094 -0.436 0.000 1.060 275 V CA 2.490 64.457 62.300 -0.555 0.000 1.042 275 V CB -1.501 30.001 31.823 -0.535 0.000 0.650 275 V HN 0.392 nan 8.190 nan 0.000 0.450 276 P HA -0.103 nan 4.420 nan 0.000 0.228 276 P C 0.706 177.949 177.300 -0.094 0.000 1.151 276 P CA 1.396 64.403 63.100 -0.156 0.000 0.770 276 P CB -0.130 31.545 31.700 -0.042 0.000 0.786 277 H N -5.236 113.726 119.070 -0.180 0.000 2.777 277 H HA 0.419 4.975 4.556 -0.000 0.000 0.244 277 H C 0.132 175.326 175.328 -0.223 0.000 1.185 277 H CA 0.006 55.955 56.048 -0.165 0.000 0.945 277 H CB 0.105 29.785 29.762 -0.137 0.000 1.994 277 H HN -0.191 nan 8.280 nan 0.000 0.638 278 T N -0.567 113.721 114.554 -0.443 0.000 3.123 278 T HA 0.394 4.744 4.350 -0.000 0.000 0.266 278 T C 0.734 175.175 174.700 -0.432 0.000 0.873 278 T CA 0.831 62.613 62.100 -0.531 0.000 0.854 278 T CB 0.234 68.541 68.868 -0.936 0.000 1.254 278 T HN 0.910 nan 8.240 nan 0.000 0.570 279 G N 1.062 109.670 108.800 -0.320 0.000 2.710 279 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.668 279 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.668 279 G C -0.931 173.916 174.900 -0.088 0.000 1.320 279 G CA -0.675 44.351 45.100 -0.123 0.000 0.860 279 G HN 0.481 nan 8.290 nan 0.000 0.538 280 H N 0.125 119.220 119.070 0.042 0.000 2.607 280 H HA 0.436 4.991 4.556 -0.000 0.000 0.367 280 H C 1.258 176.667 175.328 0.135 0.000 1.181 280 H CA 0.608 56.680 56.048 0.039 0.000 1.402 280 H CB 0.916 30.670 29.762 -0.015 0.000 1.474 280 H HN 0.585 nan 8.280 nan 0.000 0.596 281 S N 1.642 117.391 115.700 0.082 0.000 2.558 281 S HA -0.026 4.444 4.470 -0.000 0.000 0.291 281 S C 0.387 174.810 174.600 -0.296 0.000 1.306 281 S CA -0.205 57.817 58.200 -0.296 0.000 1.056 281 S CB -0.025 62.688 63.200 -0.812 0.000 0.836 281 S HN 0.272 nan 8.310 nan 0.000 0.504 282 I N 3.882 124.225 120.570 -0.377 0.000 2.304 282 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 282 I C 0.795 176.919 176.117 0.011 0.000 1.018 282 I CA -0.188 61.015 61.300 -0.161 0.000 1.260 282 I CB 0.716 38.566 38.000 -0.250 0.000 1.390 282 I HN 0.547 nan 8.210 nan 0.000 0.475 283 R N 4.823 125.453 120.500 0.216 0.000 2.539 283 R HA 0.338 4.678 4.340 -0.000 0.000 0.275 283 R C -0.781 175.629 176.300 0.184 0.000 1.077 283 R CA -0.716 55.557 56.100 0.289 0.000 1.097 283 R CB 0.126 30.620 30.300 0.324 0.000 1.018 283 R HN 0.292 nan 8.270 nan 0.000 0.483 284 Y N 1.262 121.661 120.300 0.164 0.000 2.788 284 Y HA -0.104 4.446 4.550 -0.000 0.000 0.341 284 Y C 0.550 176.656 175.900 0.343 0.000 1.258 284 Y CA 0.601 58.819 58.100 0.196 0.000 1.503 284 Y CB 0.266 38.788 38.460 0.104 0.000 1.325 284 Y HN 0.370 nan 8.280 nan 0.000 0.614 285 K N 1.167 121.818 120.400 0.420 0.000 2.185 285 K HA 0.285 4.605 4.320 -0.000 0.000 0.271 285 K C -0.961 175.923 176.600 0.473 0.000 1.013 285 K CA -0.518 55.978 56.287 0.348 0.000 0.943 285 K CB 0.656 33.286 32.500 0.217 0.000 0.998 285 K HN 0.324 nan 8.250 nan 0.000 0.468 286 V N 4.062 124.200 119.914 0.372 0.000 2.403 286 V HA -0.029 4.090 4.120 -0.000 0.000 0.265 286 V C 0.836 177.100 176.094 0.284 0.000 1.034 286 V CA 0.181 62.713 62.300 0.386 0.000 1.036 286 V CB 0.224 32.124 31.823 0.128 0.000 1.032 286 V HN 0.608 nan 8.190 nan 0.000 0.478 287 V N 4.032 124.134 119.914 0.313 0.000 3.212 287 V HA 0.333 4.453 4.120 -0.000 0.000 0.244 287 V C 1.152 177.349 176.094 0.171 0.000 1.151 287 V CA 1.035 63.458 62.300 0.205 0.000 1.119 287 V CB 0.686 32.619 31.823 0.184 0.000 0.838 287 V HN 0.847 nan 8.190 nan 0.000 0.470 288 A N 0.948 123.866 122.820 0.164 0.000 3.030 288 A HA 0.552 4.872 4.320 -0.000 0.000 0.335 288 A C -1.751 175.889 177.584 0.092 0.000 1.089 288 A CA -0.928 51.171 52.037 0.102 0.000 0.807 288 A CB 0.451 19.376 19.000 -0.126 0.000 1.099 288 A HN 0.216 nan 8.150 nan 0.000 0.474 289 P HA -0.181 nan 4.420 nan 0.000 0.228 289 P C 0.655 177.992 177.300 0.061 0.000 1.151 289 P CA 1.199 64.345 63.100 0.077 0.000 0.770 289 P CB -0.191 31.519 31.700 0.018 0.000 0.786 290 H N -1.625 117.423 119.070 -0.037 0.000 2.517 290 H HA 0.305 4.861 4.556 -0.000 0.000 0.282 290 H C 0.202 175.456 175.328 -0.123 0.000 1.023 290 H CA -0.243 55.773 56.048 -0.054 0.000 1.169 290 H CB -0.018 29.718 29.762 -0.045 0.000 1.454 290 H HN -0.043 nan 8.280 nan 0.000 0.556 291 R N 0.216 120.463 120.500 -0.422 0.000 2.750 291 R HA 0.181 4.521 4.340 -0.000 0.000 0.281 291 R C 0.230 176.399 176.300 -0.219 0.000 0.972 291 R CA -0.888 54.917 56.100 -0.493 0.000 0.912 291 R CB 0.690 30.654 30.300 -0.561 0.000 1.187 291 R HN 0.131 nan 8.270 nan 0.000 0.464 292 Y N 0.935 121.187 120.300 -0.080 0.000 2.165 292 Y HA -0.097 4.453 4.550 -0.000 0.000 0.286 292 Y C 1.169 176.993 175.900 -0.127 0.000 1.155 292 Y CA 0.812 58.908 58.100 -0.007 0.000 1.164 292 Y CB 0.057 38.483 38.460 -0.057 0.000 0.978 292 Y HN 0.099 nan 8.280 nan 0.000 0.513 293 R N 2.505 122.851 120.500 -0.257 0.000 3.710 293 R HA -0.038 4.302 4.340 -0.000 0.000 0.201 293 R C 0.384 176.173 176.300 -0.851 0.000 1.641 293 R CA -0.138 55.446 56.100 -0.860 0.000 1.390 293 R CB -0.637 29.174 30.300 -0.814 0.000 1.341 293 R HN 0.606 nan 8.270 nan 0.000 0.728 294 W N 1.075 122.169 121.300 -0.342 0.000 2.721 294 W HA -0.162 4.498 4.660 -0.000 0.000 0.245 294 W C 0.149 176.620 176.519 -0.080 0.000 1.276 294 W CA 0.178 57.436 57.345 -0.146 0.000 1.342 294 W CB -0.550 28.939 29.460 0.049 0.000 1.135 294 W HN 0.451 nan 8.180 nan 0.000 0.654 295 Y N 0.363 120.476 120.300 -0.312 0.000 2.458 295 Y HA 0.504 5.054 4.550 -0.000 0.000 0.256 295 Y C 0.621 176.433 175.900 -0.146 0.000 1.159 295 Y CA -0.790 57.164 58.100 -0.243 0.000 1.261 295 Y CB -0.966 37.005 38.460 -0.815 0.000 1.119 295 Y HN -0.163 nan 8.280 nan 0.000 0.524 296 S N 2.461 117.962 115.700 -0.332 0.000 2.448 296 S HA 0.370 4.840 4.470 -0.000 0.000 0.320 296 S C -1.949 172.618 174.600 -0.056 0.000 1.071 296 S CA -1.642 56.465 58.200 -0.155 0.000 1.113 296 S CB 0.963 63.989 63.200 -0.291 0.000 0.972 296 S HN 0.013 nan 8.310 nan 0.000 0.465 297 P HA -0.028 nan 4.420 nan 0.000 0.222 297 P C 0.765 178.110 177.300 0.076 0.000 1.147 297 P CA 0.766 63.910 63.100 0.073 0.000 0.790 297 P CB 0.074 31.831 31.700 0.096 0.000 0.780 298 N N -0.231 118.502 118.700 0.055 0.000 2.550 298 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 298 N C 0.994 176.540 175.510 0.061 0.000 1.110 298 N CA 0.818 53.922 53.050 0.090 0.000 0.912 298 N CB -0.064 38.460 38.487 0.062 0.000 0.968 298 N HN 0.422 nan 8.380 nan 0.000 0.448 299 E N 0.250 120.415 120.200 -0.057 0.000 2.526 299 E HA 0.110 4.459 4.350 -0.000 0.000 0.208 299 E C 1.055 177.548 176.600 -0.178 0.000 0.997 299 E CA -0.165 56.105 56.400 -0.216 0.000 0.961 299 E CB 0.371 29.908 29.700 -0.272 0.000 1.030 299 E HN 0.219 nan 8.360 nan 0.000 0.483 300 K N 1.116 121.527 120.400 0.018 0.000 2.144 300 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 300 K C 2.030 178.757 176.600 0.212 0.000 1.047 300 K CA 1.818 58.205 56.287 0.167 0.000 0.927 300 K CB -0.249 32.353 32.500 0.171 0.000 0.716 300 K HN 0.402 nan 8.250 nan 0.000 0.454 301 H N -0.445 118.687 119.070 0.103 0.000 2.548 301 H HA 0.160 4.716 4.556 -0.000 0.000 0.265 301 H C 0.809 176.190 175.328 0.088 0.000 0.969 301 H CA -0.141 55.952 56.048 0.076 0.000 1.155 301 H CB -0.233 29.551 29.762 0.036 0.000 1.394 301 H HN 0.032 nan 8.280 nan 0.000 0.570 302 L N 0.981 122.018 121.223 -0.309 0.000 2.482 302 L HA 0.339 4.679 4.340 -0.000 0.000 0.242 302 L C 1.245 178.131 176.870 0.027 0.000 1.210 302 L CA -0.316 54.398 54.840 -0.209 0.000 0.819 302 L CB 0.395 42.261 42.059 -0.322 0.000 1.203 302 L HN 0.185 nan 8.230 nan 0.000 0.495 303 G N -0.166 108.633 108.800 -0.002 0.000 2.539 303 G HA2 0.387 4.346 3.960 -0.000 0.000 0.258 303 G HA3 0.387 4.346 3.960 -0.000 0.000 0.258 303 G C -0.236 174.734 174.900 0.116 0.000 1.202 303 G CA -0.723 44.411 45.100 0.057 0.000 0.851 303 G HN 0.416 nan 8.290 nan 0.000 0.556 304 I N 1.142 121.804 120.570 0.153 0.000 2.587 304 I HA 0.018 4.187 4.170 -0.000 0.000 0.284 304 I C 0.449 176.589 176.117 0.039 0.000 1.134 304 I CA 0.443 61.844 61.300 0.169 0.000 1.410 304 I CB 0.321 38.437 38.000 0.194 0.000 1.392 304 I HN 0.444 nan 8.210 nan 0.000 0.545 305 E N 5.787 125.907 120.200 -0.133 0.000 2.249 305 E HA 0.293 4.643 4.350 -0.000 0.000 0.280 305 E C -0.730 175.708 176.600 -0.269 0.000 1.016 305 E CA -0.794 55.416 56.400 -0.316 0.000 0.830 305 E CB 1.899 31.047 29.700 -0.920 0.000 1.081 305 E HN 0.311 nan 8.360 nan 0.000 0.395 306 V N 2.386 122.059 119.914 -0.401 0.000 2.521 306 V HA 0.225 4.345 4.120 -0.000 0.000 0.286 306 V C 0.756 176.755 176.094 -0.158 0.000 1.034 306 V CA 0.023 61.804 62.300 -0.864 0.000 1.045 306 V CB 0.860 32.269 31.823 -0.689 0.000 0.974 306 V HN 0.815 nan 8.190 nan 0.000 0.480 307 G N 3.612 112.373 108.800 -0.065 0.000 2.955 307 G HA2 0.484 4.444 3.960 -0.000 0.000 0.336 307 G HA3 0.484 4.444 3.960 -0.000 0.000 0.336 307 G C 0.197 175.274 174.900 0.294 0.000 1.264 307 G CA -0.143 44.852 45.100 -0.175 0.000 1.096 307 G HN 0.837 nan 8.290 nan 0.000 0.486 308 S N 1.643 117.505 115.700 0.271 0.000 2.606 308 S HA 0.151 4.621 4.470 -0.000 0.000 0.257 308 S C 1.666 176.373 174.600 0.178 0.000 1.327 308 S CA -0.232 58.115 58.200 0.245 0.000 0.984 308 S CB 1.602 64.842 63.200 0.067 0.000 0.941 308 S HN 0.591 nan 8.310 nan 0.000 0.576 309 K N 0.220 120.513 120.400 -0.178 0.000 2.044 309 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 309 K C 1.974 178.465 176.600 -0.181 0.000 1.049 309 K CA 2.028 57.957 56.287 -0.597 0.000 0.927 309 K CB -0.992 30.800 32.500 -1.179 0.000 0.713 309 K HN 0.744 nan 8.250 nan 0.000 0.443 310 T N -0.112 114.400 114.554 -0.070 0.000 2.746 310 T HA -0.175 4.174 4.350 -0.000 0.000 0.267 310 T C 1.163 175.877 174.700 0.022 0.000 1.039 310 T CA 1.459 63.552 62.100 -0.012 0.000 1.142 310 T CB -0.395 68.504 68.868 0.053 0.000 0.866 310 T HN 0.523 nan 8.240 nan 0.000 0.444 311 W N 1.635 122.894 121.300 -0.068 0.000 2.355 311 W HA -0.040 4.619 4.660 -0.000 0.000 0.309 311 W C 1.825 178.281 176.519 -0.105 0.000 1.206 311 W CA 0.930 58.221 57.345 -0.090 0.000 1.284 311 W CB -0.378 29.021 29.460 -0.102 0.000 1.145 311 W HN 0.168 nan 8.180 nan 0.000 0.502 312 I N 0.185 120.867 120.570 0.185 0.000 2.202 312 I HA -0.272 3.897 4.170 -0.000 0.000 0.242 312 I C 2.243 178.321 176.117 -0.064 0.000 1.091 312 I CA 1.715 63.065 61.300 0.083 0.000 1.368 312 I CB -0.799 37.370 38.000 0.283 0.000 1.058 312 I HN -0.054 nan 8.210 nan 0.000 0.410 313 E N 1.056 121.226 120.200 -0.049 0.000 2.086 313 E HA -0.318 4.032 4.350 -0.000 0.000 0.200 313 E C 1.693 178.197 176.600 -0.160 0.000 1.012 313 E CA 2.109 58.460 56.400 -0.081 0.000 0.812 313 E CB -0.125 29.527 29.700 -0.080 0.000 0.743 313 E HN 0.450 nan 8.360 nan 0.000 0.453 314 D N -1.257 119.001 120.400 -0.237 0.000 2.194 314 D HA -0.132 4.507 4.640 -0.000 0.000 0.204 314 D C 1.699 177.760 176.300 -0.397 0.000 0.964 314 D CA 0.625 54.450 54.000 -0.293 0.000 0.846 314 D CB -0.234 40.385 40.800 -0.302 0.000 0.962 314 D HN 0.258 nan 8.370 nan 0.000 0.490 315 F N 0.713 120.199 119.950 -0.773 0.000 2.171 315 F HA -0.028 4.499 4.527 -0.000 0.000 0.300 315 F C 1.877 177.375 175.800 -0.503 0.000 1.090 315 F CA 1.030 58.484 58.000 -0.911 0.000 1.293 315 F CB -0.036 38.048 39.000 -1.526 0.000 1.013 315 F HN -0.045 nan 8.300 nan 0.000 0.486 316 I N 0.335 120.677 120.570 -0.381 0.000 2.530 316 I HA -0.288 3.882 4.170 -0.000 0.000 0.257 316 I C 2.284 178.217 176.117 -0.306 0.000 1.179 316 I CA 1.698 62.816 61.300 -0.303 0.000 1.440 316 I CB -0.717 37.210 38.000 -0.122 0.000 1.087 316 I HN 0.362 nan 8.210 nan 0.000 0.440 317 T N -1.516 112.853 114.554 -0.308 0.000 3.051 317 T HA -0.011 4.339 4.350 -0.000 0.000 0.255 317 T C 1.763 176.315 174.700 -0.246 0.000 1.085 317 T CA 0.057 62.019 62.100 -0.230 0.000 1.109 317 T CB -0.030 68.731 68.868 -0.179 0.000 0.921 317 T HN 0.482 nan 8.240 nan 0.000 0.488 318 R N 0.285 120.579 120.500 -0.343 0.000 2.404 318 R HA 0.346 4.685 4.340 -0.000 0.000 0.237 318 R C 2.052 178.129 176.300 -0.373 0.000 0.907 318 R CA -0.032 55.893 56.100 -0.292 0.000 1.063 318 R CB -0.247 29.899 30.300 -0.258 0.000 1.134 318 R HN 0.221 nan 8.270 nan 0.000 0.529 319 E N 3.798 123.624 120.200 -0.624 0.000 2.086 319 E HA -0.282 4.068 4.350 -0.000 0.000 0.205 319 E C 0.808 177.266 176.600 -0.236 0.000 1.027 319 E CA 2.234 58.180 56.400 -0.757 0.000 0.830 319 E CB -0.366 28.845 29.700 -0.815 0.000 0.751 319 E HN 0.763 nan 8.360 nan 0.000 0.456 320 N N -0.308 118.306 118.700 -0.144 0.000 2.575 320 N HA -0.069 4.671 4.740 -0.000 0.000 0.192 320 N C 1.367 176.878 175.510 0.002 0.000 1.200 320 N CA 0.977 54.011 53.050 -0.027 0.000 0.897 320 N CB -0.243 38.225 38.487 -0.031 0.000 0.990 320 N HN 0.130 nan 8.380 nan 0.000 0.449 321 T N -2.576 111.968 114.554 -0.017 0.000 3.088 321 T HA 0.028 4.378 4.350 -0.000 0.000 0.259 321 T C 0.865 175.617 174.700 0.087 0.000 1.122 321 T CA -0.281 61.831 62.100 0.020 0.000 1.095 321 T CB -0.275 68.590 68.868 -0.005 0.000 0.930 321 T HN 0.119 nan 8.240 nan 0.000 0.508 322 V N 4.781 124.785 119.914 0.150 0.000 2.585 322 V HA 0.311 4.431 4.120 -0.000 0.000 0.296 322 V C -2.149 174.067 176.094 0.203 0.000 1.035 322 V CA -2.308 60.143 62.300 0.252 0.000 1.084 322 V CB 0.522 32.620 31.823 0.459 0.000 0.953 322 V HN 0.268 nan 8.190 nan 0.000 0.483 323 P HA 0.137 nan 4.420 nan 0.000 0.269 323 P C -0.236 177.145 177.300 0.134 0.000 1.209 323 P CA -0.005 63.172 63.100 0.128 0.000 0.776 323 P CB 0.604 32.369 31.700 0.109 0.000 0.876 324 S N 3.030 118.788 115.700 0.097 0.000 2.593 324 S HA 0.297 4.766 4.470 -0.000 0.000 0.269 324 S C -1.934 172.716 174.600 0.082 0.000 1.334 324 S CA -0.661 57.589 58.200 0.082 0.000 1.015 324 S CB -0.621 62.611 63.200 0.055 0.000 0.912 324 S HN 0.450 nan 8.310 nan 0.000 0.541 325 P HA 0.224 nan 4.420 nan 0.000 0.274 325 P C 0.101 177.433 177.300 0.053 0.000 1.246 325 P CA -0.529 62.616 63.100 0.075 0.000 0.795 325 P CB 0.119 31.848 31.700 0.048 0.000 1.006 326 T N -2.617 111.974 114.554 0.061 0.000 2.770 326 T HA 0.174 4.524 4.350 -0.000 0.000 0.281 326 T C 0.707 175.422 174.700 0.025 0.000 0.981 326 T CA -0.247 61.879 62.100 0.043 0.000 0.955 326 T CB 0.132 69.030 68.868 0.050 0.000 1.060 326 T HN 0.183 nan 8.240 nan 0.000 0.531 327 D N -0.168 120.242 120.400 0.017 0.000 2.277 327 D HA -0.001 4.639 4.640 -0.000 0.000 0.208 327 D C 1.402 177.699 176.300 -0.005 0.000 0.962 327 D CA 0.704 54.702 54.000 -0.002 0.000 0.865 327 D CB -0.109 40.694 40.800 0.005 0.000 0.939 327 D HN 0.541 nan 8.370 nan 0.000 0.510 328 D N 0.284 120.701 120.400 0.028 0.000 2.333 328 D HA -0.014 4.625 4.640 -0.000 0.000 0.208 328 D C 1.567 177.925 176.300 0.097 0.000 0.984 328 D CA 0.367 54.398 54.000 0.051 0.000 0.873 328 D CB 0.372 41.208 40.800 0.059 0.000 0.935 328 D HN 0.380 nan 8.370 nan 0.000 0.521 329 E N 0.205 120.469 120.200 0.106 0.000 2.065 329 E HA 0.023 4.373 4.350 -0.000 0.000 0.191 329 E C 0.933 177.516 176.600 -0.028 0.000 0.960 329 E CA 0.308 56.835 56.400 0.211 0.000 0.824 329 E CB 0.744 30.609 29.700 0.275 0.000 0.793 329 E HN 0.054 nan 8.360 nan 0.000 0.459 330 V N -1.043 118.810 119.914 -0.102 0.000 2.735 330 V HA 0.536 4.656 4.120 -0.000 0.000 0.310 330 V C -1.008 174.955 176.094 -0.218 0.000 1.061 330 V CA -1.235 60.931 62.300 -0.224 0.000 0.913 330 V CB 1.791 33.487 31.823 -0.211 0.000 1.005 330 V HN 0.259 nan 8.190 nan 0.000 0.428 331 C N 7.065 126.143 119.300 -0.370 0.000 2.319 331 C HA 0.710 5.169 4.460 -0.000 0.000 0.323 331 C C -0.169 174.738 174.990 -0.137 0.000 1.277 331 C CA -0.577 58.256 59.018 -0.307 0.000 1.517 331 C CB -0.732 26.664 27.740 -0.574 0.000 2.206 331 C HN 0.910 nan 8.230 nan 0.000 0.486 332 I N 7.246 127.800 120.570 -0.026 0.000 2.353 332 I HA 0.523 4.692 4.170 -0.000 0.000 0.293 332 I C 0.192 176.367 176.117 0.096 0.000 0.992 332 I CA -0.212 61.110 61.300 0.037 0.000 1.268 332 I CB 1.403 39.411 38.000 0.014 0.000 1.387 332 I HN 0.623 nan 8.210 nan 0.000 0.478 333 V N 2.638 122.636 119.914 0.140 0.000 3.001 333 V HA 0.507 4.627 4.120 -0.000 0.000 0.314 333 V C 0.453 176.611 176.094 0.106 0.000 1.099 333 V CA -0.664 61.726 62.300 0.149 0.000 0.989 333 V CB 2.258 34.221 31.823 0.232 0.000 1.040 333 V HN 0.629 nan 8.190 nan 0.000 0.434 334 E N 1.634 121.893 120.200 0.098 0.000 2.122 334 E HA 0.090 4.440 4.350 -0.000 0.000 0.190 334 E C 0.030 176.679 176.600 0.082 0.000 0.977 334 E CA 1.590 58.038 56.400 0.080 0.000 0.820 334 E CB 0.156 29.901 29.700 0.075 0.000 0.770 334 E HN 1.076 nan 8.360 nan 0.000 0.462 335 D N -3.122 117.337 120.400 0.098 0.000 2.677 335 D HA 0.198 4.838 4.640 -0.000 0.000 0.298 335 D C 1.010 177.342 176.300 0.054 0.000 1.250 335 D CA -0.232 53.816 54.000 0.081 0.000 0.888 335 D CB 0.084 40.968 40.800 0.141 0.000 1.397 335 D HN -0.128 nan 8.370 nan 0.000 0.461 336 G N -1.043 107.715 108.800 -0.069 0.000 2.448 336 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 336 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 336 G C 0.710 175.527 174.900 -0.138 0.000 1.127 336 G CA 0.793 45.801 45.100 -0.154 0.000 0.766 336 G HN 0.452 nan 8.290 nan 0.000 0.552 337 Y N 0.224 120.550 120.300 0.043 0.000 2.220 337 Y HA 0.035 4.585 4.550 -0.000 0.000 0.291 337 Y C 2.664 178.572 175.900 0.012 0.000 1.129 337 Y CA 1.238 59.349 58.100 0.019 0.000 1.161 337 Y CB -0.220 38.245 38.460 0.009 0.000 0.997 337 Y HN 0.274 nan 8.280 nan 0.000 0.522 338 E N -0.112 120.200 120.200 0.186 0.000 2.072 338 E HA -0.220 4.129 4.350 -0.000 0.000 0.191 338 E C 2.043 178.691 176.600 0.081 0.000 0.985 338 E CA 0.986 57.459 56.400 0.122 0.000 0.801 338 E CB -0.336 29.442 29.700 0.130 0.000 0.750 338 E HN 0.394 nan 8.360 nan 0.000 0.452 339 F N 1.942 121.854 119.950 -0.062 0.000 2.063 339 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 339 F C 2.448 178.086 175.800 -0.271 0.000 1.109 339 F CA 2.246 60.118 58.000 -0.214 0.000 1.212 339 F CB -0.454 38.330 39.000 -0.360 0.000 0.973 339 F HN -0.117 nan 8.300 nan 0.000 0.480 340 R N 0.103 120.369 120.500 -0.390 0.000 2.112 340 R HA -0.225 4.115 4.340 -0.000 0.000 0.242 340 R C 2.500 178.618 176.300 -0.304 0.000 1.137 340 R CA 2.323 58.169 56.100 -0.423 0.000 0.944 340 R CB -0.289 29.927 30.300 -0.141 0.000 0.857 340 R HN 0.318 nan 8.270 nan 0.000 0.435 341 R N -0.126 120.286 120.500 -0.146 0.000 2.080 341 R HA -0.130 4.210 4.340 -0.000 0.000 0.236 341 R C 2.254 178.496 176.300 -0.097 0.000 1.137 341 R CA 1.667 57.716 56.100 -0.085 0.000 0.943 341 R CB -0.250 30.041 30.300 -0.015 0.000 0.846 341 R HN 0.258 nan 8.270 nan 0.000 0.431 342 E N 0.097 120.250 120.200 -0.077 0.000 2.150 342 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 342 E C 1.761 178.352 176.600 -0.014 0.000 0.985 342 E CA 0.833 57.251 56.400 0.029 0.000 0.814 342 E CB -0.227 29.599 29.700 0.211 0.000 0.752 342 E HN 0.350 nan 8.360 nan 0.000 0.466 343 F N 1.742 121.332 119.950 -0.600 0.000 2.102 343 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 343 F C 2.203 177.746 175.800 -0.428 0.000 1.105 343 F CA 1.074 58.583 58.000 -0.819 0.000 1.239 343 F CB 0.386 38.414 39.000 -1.620 0.000 0.991 343 F HN -0.045 nan 8.300 nan 0.000 0.474 344 E N 0.572 120.584 120.200 -0.313 0.000 2.150 344 E HA -0.158 4.191 4.350 -0.000 0.000 0.193 344 E C 1.942 178.443 176.600 -0.166 0.000 0.985 344 E CA 1.015 57.260 56.400 -0.259 0.000 0.814 344 E CB -0.188 29.408 29.700 -0.173 0.000 0.752 344 E HN 0.330 nan 8.360 nan 0.000 0.466 345 K N -0.147 120.190 120.400 -0.104 0.000 2.103 345 K HA -0.054 4.266 4.320 -0.000 0.000 0.207 345 K C 1.655 178.232 176.600 -0.038 0.000 1.048 345 K CA 0.889 57.148 56.287 -0.047 0.000 0.930 345 K CB -0.082 32.414 32.500 -0.005 0.000 0.716 345 K HN 0.144 nan 8.250 nan 0.000 0.444 346 L N -0.701 120.495 121.223 -0.045 0.000 2.591 346 L HA 0.095 4.435 4.340 -0.000 0.000 0.228 346 L C 1.014 177.848 176.870 -0.059 0.000 1.133 346 L CA 0.366 55.205 54.840 -0.003 0.000 0.880 346 L CB 0.256 42.379 42.059 0.107 0.000 1.033 346 L HN 0.480 nan 8.230 nan 0.000 0.450 347 G N -0.844 107.869 108.800 -0.145 0.000 2.163 347 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.213 347 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.213 347 G C 0.681 175.418 174.900 -0.272 0.000 0.991 347 G CA -0.166 44.848 45.100 -0.143 0.000 0.653 347 G HN 0.722 nan 8.290 nan 0.000 0.518 348 G N -0.327 108.123 108.800 -0.583 0.000 2.601 348 G HA2 0.196 4.155 3.960 -0.000 0.000 0.252 348 G HA3 0.196 4.155 3.960 -0.000 0.000 0.252 348 G C 1.399 175.754 174.900 -0.909 0.000 1.294 348 G CA 1.846 46.317 45.100 -1.047 0.000 0.912 348 G HN 1.884 nan 8.290 nan 0.000 0.574 349 A N -1.376 121.140 122.820 -0.508 0.000 1.972 349 A HA 0.046 4.365 4.320 -0.000 0.000 0.219 349 A C 2.005 179.798 177.584 0.348 0.000 1.169 349 A CA 2.550 54.685 52.037 0.165 0.000 0.635 349 A CB -0.496 18.718 19.000 0.358 0.000 0.810 349 A HN 0.691 nan 8.150 nan 0.000 0.446 350 D N -0.275 120.223 120.400 0.162 0.000 2.178 350 D HA -0.083 4.557 4.640 -0.000 0.000 0.201 350 D C 0.888 177.289 176.300 0.169 0.000 0.980 350 D CA 0.934 55.038 54.000 0.173 0.000 0.842 350 D CB -0.151 40.706 40.800 0.096 0.000 0.948 350 D HN 0.401 nan 8.370 nan 0.000 0.472 351 N N -0.075 118.706 118.700 0.134 0.000 2.660 351 N HA -0.011 4.729 4.740 -0.000 0.000 0.316 351 N C -1.367 174.309 175.510 0.276 0.000 1.774 351 N CA -0.419 52.724 53.050 0.155 0.000 0.946 351 N CB 0.062 38.594 38.487 0.076 0.000 1.322 351 N HN 0.029 nan 8.380 nan 0.000 0.492 352 W N 0.874 122.279 121.300 0.174 0.000 2.308 352 W HA 0.558 5.218 4.660 -0.000 0.000 0.311 352 W C 0.596 177.322 176.519 0.345 0.000 1.088 352 W CA -0.948 56.581 57.345 0.308 0.000 1.309 352 W CB 0.577 30.327 29.460 0.484 0.000 1.229 352 W HN 0.240 nan 8.180 nan 0.000 0.427 353 G N 4.955 114.071 108.800 0.528 0.000 2.695 353 G HA2 0.051 4.010 3.960 -0.000 0.000 0.205 353 G HA3 0.051 4.010 3.960 -0.000 0.000 0.205 353 G C 0.024 175.183 174.900 0.431 0.000 1.068 353 G CA -0.385 44.914 45.100 0.332 0.000 0.842 353 G HN 0.323 nan 8.290 nan 0.000 0.628 354 K N 0.347 121.034 120.400 0.478 0.000 2.123 354 K HA 0.716 5.036 4.320 -0.000 0.000 0.248 354 K C -0.423 176.288 176.600 0.186 0.000 0.969 354 K CA -0.797 55.663 56.287 0.289 0.000 0.882 354 K CB 2.649 35.211 32.500 0.103 0.000 1.080 354 K HN 0.072 nan 8.250 nan 0.000 0.441 355 V N 1.849 121.593 119.914 -0.284 0.000 2.686 355 V HA 0.471 4.591 4.120 -0.000 0.000 0.295 355 V C -1.299 174.704 176.094 -0.152 0.000 1.057 355 V CA -0.362 61.792 62.300 -0.243 0.000 1.012 355 V CB 0.030 31.428 31.823 -0.708 0.000 1.006 355 V HN 0.699 nan 8.190 nan 0.000 0.477 356 F N 5.882 125.878 119.950 0.076 0.000 2.495 356 F HA 0.648 5.175 4.527 -0.000 0.000 0.327 356 F C 0.158 175.928 175.800 -0.051 0.000 1.103 356 F CA -0.713 57.326 58.000 0.064 0.000 0.949 356 F CB 2.137 41.236 39.000 0.165 0.000 1.142 356 F HN 0.418 nan 8.300 nan 0.000 0.457 357 M N 4.522 124.179 119.600 0.095 0.000 2.243 357 M HA 0.499 4.979 4.480 -0.000 0.000 0.324 357 M C -1.748 174.589 176.300 0.063 0.000 1.031 357 M CA -0.733 54.580 55.300 0.021 0.000 0.949 357 M CB 1.498 34.074 32.600 -0.040 0.000 1.615 357 M HN 0.321 nan 8.290 nan 0.000 0.430 358 V N 6.850 126.778 119.914 0.025 0.000 2.334 358 V HA 0.327 4.446 4.120 -0.000 0.000 0.281 358 V C 0.881 176.994 176.094 0.033 0.000 1.016 358 V CA -0.568 61.746 62.300 0.022 0.000 0.832 358 V CB 1.207 32.989 31.823 -0.069 0.000 0.999 358 V HN 0.853 nan 8.190 nan 0.000 0.439 359 K N 1.669 122.096 120.400 0.044 0.000 2.057 359 K HA -0.005 4.315 4.320 -0.000 0.000 0.206 359 K C 0.598 177.230 176.600 0.054 0.000 1.050 359 K CA 0.999 57.312 56.287 0.044 0.000 0.935 359 K CB 0.232 32.758 32.500 0.043 0.000 0.715 359 K HN 0.650 nan 8.250 nan 0.000 0.439 360 D N 0.304 120.736 120.400 0.053 0.000 2.505 360 D HA 0.106 4.745 4.640 -0.000 0.000 0.249 360 D C 0.612 176.931 176.300 0.032 0.000 1.082 360 D CA -0.354 53.680 54.000 0.057 0.000 0.839 360 D CB 1.493 42.328 40.800 0.059 0.000 1.317 360 D HN 0.018 nan 8.370 nan 0.000 0.497 361 M N 1.207 120.825 119.600 0.031 0.000 2.619 361 M HA 0.128 4.608 4.480 -0.000 0.000 0.251 361 M C 0.370 176.613 176.300 -0.095 0.000 1.106 361 M CA 0.108 55.384 55.300 -0.041 0.000 1.086 361 M CB -0.125 32.429 32.600 -0.075 0.000 1.465 361 M HN 0.030 nan 8.290 nan 0.000 0.506 362 D N 1.773 122.145 120.400 -0.047 0.000 2.487 362 D HA 0.293 4.933 4.640 -0.000 0.000 0.243 362 D C 1.274 177.427 176.300 -0.245 0.000 1.154 362 D CA 2.088 56.059 54.000 -0.049 0.000 0.876 362 D CB 0.541 41.391 40.800 0.083 0.000 1.161 362 D HN 0.579 nan 8.370 nan 0.000 0.478 363 G N 2.971 111.509 108.800 -0.437 0.000 2.213 363 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.236 363 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.236 363 G C 1.126 175.705 174.900 -0.534 0.000 0.991 363 G CA 0.266 44.747 45.100 -1.032 0.000 0.629 363 G HN 0.524 nan 8.290 nan 0.000 0.517 364 L N 0.281 121.312 121.223 -0.320 0.000 2.395 364 L HA 0.134 4.473 4.340 -0.000 0.000 0.218 364 L C 1.304 178.068 176.870 -0.177 0.000 1.130 364 L CA 0.822 55.532 54.840 -0.216 0.000 0.826 364 L CB -0.339 41.590 42.059 -0.218 0.000 0.941 364 L HN 0.380 nan 8.230 nan 0.000 0.451 365 N N 0.647 119.236 118.700 -0.185 0.000 2.735 365 N HA -0.229 4.511 4.740 -0.000 0.000 0.248 365 N C -0.050 175.347 175.510 -0.188 0.000 1.083 365 N CA 0.944 53.901 53.050 -0.155 0.000 0.703 365 N CB -1.046 37.370 38.487 -0.118 0.000 1.005 365 N HN 0.371 nan 8.380 nan 0.000 0.550 366 M N 0.984 120.453 119.600 -0.220 0.000 2.047 366 M HA 0.141 4.621 4.480 -0.000 0.000 0.342 366 M C -0.361 175.784 176.300 -0.259 0.000 1.058 366 M CA -0.249 54.890 55.300 -0.270 0.000 0.991 366 M CB 0.667 33.083 32.600 -0.307 0.000 1.474 366 M HN -0.043 nan 8.290 nan 0.000 0.419 367 T N 6.765 121.179 114.554 -0.233 0.000 2.817 367 T HA 0.301 4.651 4.350 -0.000 0.000 0.295 367 T C -0.107 174.424 174.700 -0.282 0.000 0.958 367 T CA 0.162 62.128 62.100 -0.223 0.000 1.157 367 T CB 0.060 68.818 68.868 -0.183 0.000 0.898 367 T HN 0.589 nan 8.240 nan 0.000 0.536 368 M N 3.485 122.896 119.600 -0.316 0.000 2.593 368 M HA 0.439 4.919 4.480 -0.000 0.000 0.290 368 M C -2.515 173.545 176.300 -0.401 0.000 1.244 368 M CA -2.826 52.228 55.300 -0.410 0.000 0.857 368 M CB 1.506 33.853 32.600 -0.422 0.000 1.738 368 M HN 0.200 nan 8.290 nan 0.000 0.461 369 P HA 0.149 nan 4.420 nan 0.000 0.269 369 P C -0.822 176.342 177.300 -0.227 0.000 1.215 369 P CA -0.198 62.577 63.100 -0.542 0.000 0.780 369 P CB 0.444 31.509 31.700 -1.059 0.000 0.898 370 K N 3.877 124.209 120.400 -0.113 0.000 2.339 370 K HA 0.268 4.588 4.320 -0.000 0.000 0.286 370 K C -2.264 174.379 176.600 0.073 0.000 1.050 370 K CA -1.843 54.438 56.287 -0.011 0.000 0.956 370 K CB -0.660 31.842 32.500 0.003 0.000 0.990 370 K HN 0.264 nan 8.250 nan 0.000 0.475 371 P HA -0.031 nan 4.420 nan 0.000 0.268 371 P C 0.411 177.782 177.300 0.119 0.000 1.189 371 P CA 1.099 64.272 63.100 0.121 0.000 0.771 371 P CB 0.541 32.296 31.700 0.091 0.000 0.822 372 G N 0.864 109.741 108.800 0.128 0.000 2.279 372 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.223 372 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.223 372 G C 0.042 175.015 174.900 0.121 0.000 1.015 372 G CA -0.401 44.760 45.100 0.101 0.000 0.621 372 G HN 0.543 nan 8.290 nan 0.000 0.506 373 F N 3.859 123.827 119.950 0.030 0.000 2.495 373 F HA 0.497 5.024 4.527 -0.000 0.000 0.365 373 F C 0.648 176.488 175.800 0.066 0.000 1.090 373 F CA 0.621 58.642 58.000 0.035 0.000 1.235 373 F CB 0.686 39.697 39.000 0.018 0.000 1.119 373 F HN 0.466 nan 8.300 nan 0.000 0.562 374 D N 4.016 124.234 120.400 -0.303 0.000 3.057 374 D HA 0.042 4.682 4.640 -0.000 0.000 0.328 374 D C 0.455 176.604 176.300 -0.253 0.000 1.317 374 D CA -0.544 53.389 54.000 -0.112 0.000 0.973 374 D CB 0.194 40.982 40.800 -0.021 0.000 1.424 374 D HN 0.453 nan 8.370 nan 0.000 0.569 375 L N 0.615 121.763 121.223 -0.125 0.000 2.042 375 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 375 L C 2.068 178.855 176.870 -0.139 0.000 1.076 375 L CA 2.030 56.795 54.840 -0.124 0.000 0.749 375 L CB -0.865 41.119 42.059 -0.125 0.000 0.893 375 L HN 0.362 nan 8.230 nan 0.000 0.432 376 E N -0.044 120.075 120.200 -0.134 0.000 2.058 376 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 376 E C 1.820 178.306 176.600 -0.190 0.000 0.997 376 E CA 1.742 58.071 56.400 -0.117 0.000 0.801 376 E CB -0.652 28.996 29.700 -0.087 0.000 0.746 376 E HN 0.612 nan 8.360 nan 0.000 0.450 377 D N 0.804 120.983 120.400 -0.369 0.000 2.144 377 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 377 D C 2.170 178.283 176.300 -0.311 0.000 0.984 377 D CA 0.811 54.537 54.000 -0.457 0.000 0.834 377 D CB -0.397 39.785 40.800 -1.029 0.000 0.955 377 D HN 0.018 nan 8.370 nan 0.000 0.465 378 V N 0.757 120.491 119.914 -0.300 0.000 2.255 378 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 378 V C 2.503 178.538 176.094 -0.098 0.000 1.051 378 V CA 1.630 63.873 62.300 -0.096 0.000 1.018 378 V CB -0.668 31.135 31.823 -0.034 0.000 0.641 378 V HN 0.197 nan 8.190 nan 0.000 0.445 379 V N -0.426 119.436 119.914 -0.086 0.000 2.515 379 V HA -0.253 3.866 4.120 -0.000 0.000 0.250 379 V C 2.436 178.500 176.094 -0.050 0.000 1.058 379 V CA 2.264 64.531 62.300 -0.056 0.000 1.064 379 V CB -0.444 31.371 31.823 -0.013 0.000 0.675 379 V HN 0.542 nan 8.190 nan 0.000 0.461 380 K N -0.087 120.277 120.400 -0.060 0.000 2.057 380 K HA -0.019 4.301 4.320 -0.000 0.000 0.207 380 K C 1.924 178.501 176.600 -0.039 0.000 1.049 380 K CA 2.156 58.416 56.287 -0.044 0.000 0.931 380 K CB -0.281 32.188 32.500 -0.052 0.000 0.714 380 K HN 0.555 nan 8.250 nan 0.000 0.440 381 I N 0.103 120.643 120.570 -0.051 0.000 2.277 381 I HA -0.211 3.959 4.170 -0.000 0.000 0.243 381 I C 2.104 178.174 176.117 -0.078 0.000 1.094 381 I CA 0.788 62.062 61.300 -0.043 0.000 1.393 381 I CB -0.100 37.887 38.000 -0.021 0.000 1.078 381 I HN 0.149 nan 8.210 nan 0.000 0.417 382 M N 0.266 119.782 119.600 -0.139 0.000 2.236 382 M HA 0.207 4.686 4.480 -0.000 0.000 0.266 382 M C 0.985 177.213 176.300 -0.120 0.000 1.070 382 M CA 0.822 55.958 55.300 -0.272 0.000 1.137 382 M CB -1.026 31.263 32.600 -0.518 0.000 1.378 382 M HN 0.315 nan 8.290 nan 0.000 0.426 383 G N -0.342 108.436 108.800 -0.038 0.000 3.014 383 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.683 383 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.683 383 G C 0.258 175.200 174.900 0.070 0.000 1.271 383 G CA -0.232 44.895 45.100 0.044 0.000 0.843 383 G HN 0.132 nan 8.290 nan 0.000 0.612 384 S N 0.386 116.118 115.700 0.053 0.000 2.419 384 S HA -0.064 4.406 4.470 -0.000 0.000 0.235 384 S C 1.544 176.186 174.600 0.072 0.000 1.019 384 S CA 1.723 59.956 58.200 0.055 0.000 0.982 384 S CB -0.018 63.209 63.200 0.045 0.000 0.789 384 S HN 0.648 nan 8.310 nan 0.000 0.490 385 D N -0.505 119.943 120.400 0.080 0.000 2.349 385 D HA 0.125 4.765 4.640 -0.000 0.000 0.214 385 D C -0.095 176.247 176.300 0.071 0.000 1.063 385 D CA -0.125 53.915 54.000 0.067 0.000 0.847 385 D CB -0.136 40.694 40.800 0.051 0.000 0.933 385 D HN 0.389 nan 8.370 nan 0.000 0.513 386 Y N 2.512 122.795 120.300 -0.029 0.000 2.650 386 Y HA -0.036 4.514 4.550 -0.000 0.000 0.331 386 Y C 0.570 176.422 175.900 -0.080 0.000 1.165 386 Y CA 0.278 58.347 58.100 -0.053 0.000 1.473 386 Y CB 0.255 38.675 38.460 -0.066 0.000 1.224 386 Y HN -0.174 nan 8.280 nan 0.000 0.533 387 E N 4.828 124.846 120.200 -0.302 0.000 2.227 387 E HA 0.379 4.729 4.350 -0.000 0.000 0.282 387 E C -1.283 175.169 176.600 -0.246 0.000 1.015 387 E CA -0.687 55.590 56.400 -0.205 0.000 0.823 387 E CB 1.964 31.561 29.700 -0.172 0.000 1.081 387 E HN 0.429 nan 8.360 nan 0.000 0.396 388 V N 3.255 123.061 119.914 -0.180 0.000 2.588 388 V HA 0.198 4.318 4.120 -0.000 0.000 0.304 388 V C -1.059 174.941 176.094 -0.157 0.000 1.042 388 V CA -0.893 61.276 62.300 -0.220 0.000 0.877 388 V CB 2.014 33.546 31.823 -0.485 0.000 0.996 388 V HN 0.546 nan 8.190 nan 0.000 0.425 389 D N 4.147 124.487 120.400 -0.101 0.000 2.434 389 D HA 0.351 4.991 4.640 -0.000 0.000 0.252 389 D C -0.029 176.275 176.300 0.007 0.000 1.185 389 D CA 0.841 54.819 54.000 -0.037 0.000 0.886 389 D CB 0.963 41.734 40.800 -0.048 0.000 1.148 389 D HN 0.750 nan 8.370 nan 0.000 0.483 390 T N 2.875 117.469 114.554 0.066 0.000 2.861 390 T HA 0.451 4.801 4.350 -0.000 0.000 0.287 390 T C 0.565 175.371 174.700 0.176 0.000 1.003 390 T CA -0.645 61.544 62.100 0.149 0.000 0.977 390 T CB 1.044 70.007 68.868 0.158 0.000 0.996 390 T HN 0.151 nan 8.240 nan 0.000 0.448 391 I N 2.854 123.524 120.570 0.166 0.000 2.396 391 I HA 0.112 4.282 4.170 -0.000 0.000 0.289 391 I C 0.463 176.722 176.117 0.236 0.000 1.056 391 I CA -0.392 60.973 61.300 0.110 0.000 1.365 391 I CB 0.535 38.542 38.000 0.011 0.000 1.407 391 I HN 0.559 nan 8.210 nan 0.000 0.509 392 D N 7.036 127.596 120.400 0.267 0.000 2.383 392 D HA 0.046 4.685 4.640 -0.000 0.000 0.245 392 D C 1.011 177.352 176.300 0.069 0.000 1.263 392 D CA -0.006 54.154 54.000 0.267 0.000 0.936 392 D CB 1.230 42.380 40.800 0.582 0.000 1.053 392 D HN 0.275 nan 8.370 nan 0.000 0.507 393 V N 4.918 124.771 119.914 -0.102 0.000 2.287 393 V HA -0.298 3.821 4.120 -0.000 0.000 0.248 393 V C 1.643 177.807 176.094 0.117 0.000 1.053 393 V CA 1.448 63.709 62.300 -0.065 0.000 1.027 393 V CB -0.770 30.939 31.823 -0.189 0.000 0.646 393 V HN 0.596 nan 8.190 nan 0.000 0.447 394 Y N -0.007 120.356 120.300 0.105 0.000 2.373 394 Y HA -0.056 4.494 4.550 -0.000 0.000 0.293 394 Y C 2.290 178.395 175.900 0.341 0.000 1.129 394 Y CA 1.134 59.346 58.100 0.187 0.000 1.226 394 Y CB -0.862 37.645 38.460 0.078 0.000 1.000 394 Y HN 0.357 nan 8.280 nan 0.000 0.549 395 N N 0.014 118.996 118.700 0.471 0.000 2.412 395 N HA -0.065 4.675 4.740 -0.000 0.000 0.184 395 N C -0.119 175.412 175.510 0.035 0.000 1.101 395 N CA 0.238 53.514 53.050 0.377 0.000 0.881 395 N CB -0.000 38.722 38.487 0.392 0.000 0.969 395 N HN -0.037 nan 8.380 nan 0.000 0.459 396 Q N -0.114 119.673 119.800 -0.022 0.000 2.431 396 Q HA -0.171 4.169 4.340 -0.000 0.000 0.344 396 Q C -0.976 174.839 176.000 -0.309 0.000 1.384 396 Q CA 0.747 56.401 55.803 -0.249 0.000 0.984 396 Q CB -2.091 26.308 28.738 -0.565 0.000 1.204 396 Q HN 0.336 nan 8.270 nan 0.000 0.392 397 S N -1.097 114.474 115.700 -0.216 0.000 2.651 397 S HA 0.666 5.136 4.470 -0.000 0.000 0.279 397 S C -0.287 174.070 174.600 -0.406 0.000 1.148 397 S CA -0.692 57.294 58.200 -0.356 0.000 0.837 397 S CB 2.303 65.250 63.200 -0.421 0.000 1.138 397 S HN 0.148 nan 8.310 nan 0.000 0.478 398 T N 2.084 116.329 114.554 -0.515 0.000 2.797 398 T HA 0.715 5.065 4.350 -0.000 0.000 0.279 398 T C -1.620 172.759 174.700 -0.535 0.000 0.991 398 T CA -0.209 61.698 62.100 -0.322 0.000 0.979 398 T CB 0.335 69.203 68.868 0.001 0.000 0.943 398 T HN 0.447 nan 8.240 nan 0.000 0.444 399 Y N -0.066 120.318 120.300 0.139 0.000 2.588 399 Y HA 0.512 5.062 4.550 -0.000 0.000 0.343 399 Y C 0.538 176.481 175.900 0.072 0.000 1.065 399 Y CA -1.209 56.961 58.100 0.116 0.000 1.038 399 Y CB 1.441 40.016 38.460 0.191 0.000 1.297 399 Y HN 0.482 nan 8.280 nan 0.000 0.467 400 S N 2.747 118.565 115.700 0.197 0.000 2.579 400 S HA 0.528 4.998 4.470 -0.000 0.000 0.275 400 S C -0.518 174.159 174.600 0.128 0.000 1.345 400 S CA -0.264 57.988 58.200 0.086 0.000 1.031 400 S CB 0.215 63.430 63.200 0.024 0.000 0.892 400 S HN 0.627 nan 8.310 nan 0.000 0.529 401 M N 2.386 122.012 119.600 0.042 0.000 2.325 401 M HA 0.356 4.836 4.480 -0.000 0.000 0.285 401 M C -1.681 174.614 176.300 -0.008 0.000 1.119 401 M CA -0.758 54.562 55.300 0.033 0.000 0.959 401 M CB 1.194 33.686 32.600 -0.181 0.000 1.737 401 M HN 0.354 nan 8.290 nan 0.000 0.486 402 K N 2.170 122.597 120.400 0.045 0.000 2.527 402 K HA 0.036 4.356 4.320 -0.000 0.000 0.278 402 K C 0.746 177.366 176.600 0.034 0.000 0.981 402 K CA -0.007 56.303 56.287 0.038 0.000 1.009 402 K CB 0.425 32.968 32.500 0.071 0.000 0.895 402 K HN 0.619 nan 8.250 nan 0.000 0.493 403 L N 2.432 123.675 121.223 0.033 0.000 2.083 403 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 403 L C 1.584 178.514 176.870 0.100 0.000 1.083 403 L CA 1.823 56.680 54.840 0.028 0.000 0.752 403 L CB -0.538 41.525 42.059 0.007 0.000 0.899 403 L HN 0.817 nan 8.230 nan 0.000 0.433 404 D N -1.874 118.575 120.400 0.082 0.000 2.183 404 D HA -0.146 4.494 4.640 -0.000 0.000 0.203 404 D C 1.623 177.977 176.300 0.089 0.000 0.969 404 D CA 1.396 55.446 54.000 0.082 0.000 0.842 404 D CB 0.493 41.332 40.800 0.065 0.000 0.957 404 D HN 0.338 nan 8.370 nan 0.000 0.484 405 T N 0.084 114.690 114.554 0.088 0.000 2.737 405 T HA -0.131 4.219 4.350 -0.000 0.000 0.265 405 T C 1.642 176.356 174.700 0.023 0.000 1.038 405 T CA 0.652 62.790 62.100 0.064 0.000 1.144 405 T CB -0.521 68.393 68.868 0.077 0.000 0.866 405 T HN 0.182 nan 8.240 nan 0.000 0.434 406 F N 2.047 121.942 119.950 -0.092 0.000 2.161 406 F HA -0.061 4.466 4.527 -0.000 0.000 0.300 406 F C 2.555 178.393 175.800 0.062 0.000 1.089 406 F CA 1.232 59.201 58.000 -0.052 0.000 1.282 406 F CB -0.108 38.908 39.000 0.026 0.000 1.010 406 F HN -0.091 nan 8.300 nan 0.000 0.485 407 R N 0.629 121.248 120.500 0.199 0.000 2.075 407 R HA -0.141 4.198 4.340 -0.000 0.000 0.232 407 R C 2.279 178.624 176.300 0.075 0.000 1.126 407 R CA 1.465 57.654 56.100 0.148 0.000 0.963 407 R CB -0.193 30.186 30.300 0.131 0.000 0.858 407 R HN 0.263 nan 8.270 nan 0.000 0.435 408 K N 0.416 120.842 120.400 0.044 0.000 2.009 408 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 408 K C 2.184 178.778 176.600 -0.011 0.000 1.049 408 K CA 1.685 57.986 56.287 0.024 0.000 0.929 408 K CB -0.249 32.270 32.500 0.031 0.000 0.714 408 K HN 0.218 nan 8.250 nan 0.000 0.440 409 L N -0.312 120.873 121.223 -0.062 0.000 2.046 409 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 409 L C 2.438 179.228 176.870 -0.135 0.000 1.077 409 L CA 1.043 55.825 54.840 -0.098 0.000 0.747 409 L CB -0.448 41.522 42.059 -0.149 0.000 0.896 409 L HN 0.105 nan 8.230 nan 0.000 0.432 410 F N 0.802 120.524 119.950 -0.380 0.000 2.171 410 F HA -0.159 4.368 4.527 -0.000 0.000 0.300 410 F C 2.771 178.480 175.800 -0.151 0.000 1.090 410 F CA 1.382 59.179 58.000 -0.338 0.000 1.293 410 F CB -0.142 38.624 39.000 -0.390 0.000 1.013 410 F HN -0.127 nan 8.300 nan 0.000 0.486 411 R N -0.343 120.180 120.500 0.039 0.000 2.096 411 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 411 R C 0.283 176.543 176.300 -0.067 0.000 1.127 411 R CA 1.139 57.243 56.100 0.005 0.000 0.968 411 R CB -0.659 29.664 30.300 0.039 0.000 0.861 411 R HN 0.141 nan 8.270 nan 0.000 0.440 412 D N 0.728 121.083 120.400 -0.075 0.000 2.402 412 D HA -0.022 4.618 4.640 -0.000 0.000 0.235 412 D C 0.751 176.979 176.300 -0.121 0.000 1.226 412 D CA 0.145 54.100 54.000 -0.075 0.000 0.918 412 D CB 1.032 41.804 40.800 -0.047 0.000 1.043 412 D HN 0.173 nan 8.370 nan 0.000 0.506 413 T N 0.542 115.019 114.554 -0.128 0.000 3.088 413 T HA 0.014 4.364 4.350 -0.000 0.000 0.259 413 T C 1.525 176.163 174.700 -0.103 0.000 1.122 413 T CA 0.442 62.449 62.100 -0.155 0.000 1.095 413 T CB 0.324 69.101 68.868 -0.151 0.000 0.930 413 T HN 0.031 nan 8.240 nan 0.000 0.508 414 K N 1.477 121.834 120.400 -0.072 0.000 2.202 414 K HA 0.251 4.571 4.320 -0.000 0.000 0.201 414 K C 0.936 177.513 176.600 -0.039 0.000 1.051 414 K CA 0.238 56.496 56.287 -0.049 0.000 0.977 414 K CB 0.167 32.646 32.500 -0.036 0.000 0.792 414 K HN 0.370 nan 8.250 nan 0.000 0.469 415 N N 1.359 120.036 118.700 -0.038 0.000 2.699 415 N HA 0.157 4.897 4.740 -0.000 0.000 0.232 415 N C -1.153 174.341 175.510 -0.025 0.000 1.027 415 N CA -0.049 52.987 53.050 -0.024 0.000 0.920 415 N CB 0.345 38.824 38.487 -0.012 0.000 1.148 415 N HN -0.042 nan 8.380 nan 0.000 0.509 416 R N 3.366 123.850 120.500 -0.027 0.000 2.564 416 R HA 0.251 4.591 4.340 -0.000 0.000 0.282 416 R C -1.707 174.584 176.300 -0.015 0.000 1.573 416 R CA -1.274 54.808 56.100 -0.030 0.000 1.588 416 R CB 1.242 31.503 30.300 -0.064 0.000 1.154 416 R HN 0.427 nan 8.270 nan 0.000 0.606 417 P HA -0.127 nan 4.420 nan 0.000 0.216 417 P C -0.267 177.009 177.300 -0.039 0.000 1.150 417 P CA 1.002 64.085 63.100 -0.029 0.000 0.837 417 P CB 0.372 32.052 31.700 -0.033 0.000 0.786 418 L N -1.414 119.752 121.223 -0.096 0.000 2.370 418 L HA 0.379 4.719 4.340 -0.000 0.000 0.266 418 L C -0.409 176.121 176.870 -0.567 0.000 1.002 418 L CA -1.038 53.619 54.840 -0.304 0.000 0.818 418 L CB 1.462 43.341 42.059 -0.300 0.000 1.325 418 L HN -0.199 nan 8.230 nan 0.000 0.418 419 L N 2.595 123.278 121.223 -0.900 0.000 2.325 419 L HA 0.511 4.851 4.340 -0.000 0.000 0.279 419 L C -1.199 175.227 176.870 -0.740 0.000 1.054 419 L CA -0.695 53.736 54.840 -0.683 0.000 0.804 419 L CB 1.116 42.820 42.059 -0.593 0.000 1.200 419 L HN 0.411 nan 8.230 nan 0.000 0.436 420 Y N 1.095 121.374 120.300 -0.035 0.000 2.536 420 Y HA 0.486 5.036 4.550 -0.000 0.000 0.347 420 Y C -0.136 175.911 175.900 0.244 0.000 1.000 420 Y CA -0.990 57.186 58.100 0.127 0.000 1.051 420 Y CB 1.998 40.582 38.460 0.207 0.000 1.259 420 Y HN 0.483 nan 8.280 nan 0.000 0.468 421 N N 2.085 121.001 118.700 0.361 0.000 2.616 421 N HA 0.262 5.002 4.740 -0.000 0.000 0.281 421 N C -1.903 173.637 175.510 0.049 0.000 1.145 421 N CA -0.681 52.448 53.050 0.131 0.000 0.919 421 N CB 0.613 39.124 38.487 0.041 0.000 1.509 421 N HN 0.446 nan 8.380 nan 0.000 0.537 422 F N 2.119 121.998 119.950 -0.119 0.000 2.422 422 F HA 0.621 5.148 4.527 -0.000 0.000 0.333 422 F C 0.036 175.720 175.800 -0.194 0.000 1.095 422 F CA -0.891 56.992 58.000 -0.195 0.000 1.038 422 F CB 1.008 39.820 39.000 -0.314 0.000 1.156 422 F HN 0.322 nan 8.300 nan 0.000 0.483 423 L N 1.203 122.458 121.223 0.053 0.000 2.966 423 L HA 0.270 4.610 4.340 -0.000 0.000 0.262 423 L C 0.561 177.291 176.870 -0.235 0.000 1.165 423 L CA 0.162 54.927 54.840 -0.125 0.000 0.978 423 L CB 0.330 42.250 42.059 -0.233 0.000 1.337 423 L HN 0.755 nan 8.230 nan 0.000 0.563 424 S N 0.812 116.497 115.700 -0.024 0.000 2.754 424 S HA 0.226 4.695 4.470 -0.000 0.000 0.247 424 S C -0.015 174.744 174.600 0.265 0.000 1.031 424 S CA -0.345 57.827 58.200 -0.045 0.000 1.014 424 S CB 0.475 63.638 63.200 -0.062 0.000 0.918 424 S HN 0.101 nan 8.310 nan 0.000 0.519 425 L N 3.622 125.004 121.223 0.264 0.000 2.363 425 L HA 0.409 4.748 4.340 -0.000 0.000 0.286 425 L C -0.028 177.059 176.870 0.362 0.000 1.106 425 L CA 0.408 55.361 54.840 0.188 0.000 0.859 425 L CB -0.196 41.810 42.059 -0.087 0.000 1.223 425 L HN 0.017 nan 8.230 nan 0.000 0.446 426 E N 4.778 125.114 120.200 0.227 0.000 2.134 426 E HA 0.173 4.523 4.350 -0.000 0.000 0.278 426 E C -0.568 176.001 176.600 -0.051 0.000 0.959 426 E CA -0.340 55.978 56.400 -0.136 0.000 0.783 426 E CB 0.894 30.354 29.700 -0.401 0.000 1.095 426 E HN 0.589 nan 8.360 nan 0.000 0.399 427 F N 1.565 121.477 119.950 -0.064 0.000 2.698 427 F HA 0.225 4.752 4.527 -0.000 0.000 0.304 427 F C 1.365 177.136 175.800 -0.048 0.000 1.108 427 F CA -0.334 57.637 58.000 -0.049 0.000 1.263 427 F CB -0.228 38.755 39.000 -0.029 0.000 1.013 427 F HN 0.236 nan 8.300 nan 0.000 0.532 428 S N -0.159 115.364 115.700 -0.295 0.000 2.474 428 S HA -0.204 4.266 4.470 -0.000 0.000 0.235 428 S C 1.176 175.741 174.600 -0.057 0.000 0.997 428 S CA 1.174 59.254 58.200 -0.200 0.000 0.949 428 S CB -0.673 62.355 63.200 -0.285 0.000 0.766 428 S HN 0.607 nan 8.310 nan 0.000 0.517 429 D N 0.424 120.809 120.400 -0.025 0.000 2.363 429 D HA 0.114 4.754 4.640 -0.000 0.000 0.214 429 D C -0.005 176.323 176.300 0.047 0.000 1.093 429 D CA -0.395 53.609 54.000 0.006 0.000 0.837 429 D CB -0.952 39.845 40.800 -0.004 0.000 0.948 429 D HN 0.505 nan 8.370 nan 0.000 0.507 430 N N 0.505 119.254 118.700 0.081 0.000 2.426 430 N HA 0.092 4.832 4.740 -0.000 0.000 0.257 430 N C 0.676 176.225 175.510 0.064 0.000 1.002 430 N CA -0.420 52.674 53.050 0.073 0.000 0.942 430 N CB 0.683 39.210 38.487 0.066 0.000 1.112 430 N HN -0.242 nan 8.380 nan 0.000 0.499 431 N N 2.169 120.891 118.700 0.037 0.000 2.289 431 N HA -0.176 4.563 4.740 -0.000 0.000 0.184 431 N C 0.984 176.504 175.510 0.017 0.000 1.016 431 N CA 0.847 53.912 53.050 0.024 0.000 0.872 431 N CB 0.069 38.564 38.487 0.013 0.000 0.973 431 N HN 0.752 nan 8.380 nan 0.000 0.433 432 E N -0.295 119.912 120.200 0.012 0.000 2.042 432 E HA 0.025 4.375 4.350 -0.000 0.000 0.189 432 E C 1.740 178.328 176.600 -0.019 0.000 0.974 432 E CA 0.396 56.793 56.400 -0.004 0.000 0.806 432 E CB 0.098 29.794 29.700 -0.006 0.000 0.769 432 E HN -0.019 nan 8.360 nan 0.000 0.451 433 M N 1.680 121.266 119.600 -0.023 0.000 2.117 433 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 433 M C 2.120 178.427 176.300 0.012 0.000 1.065 433 M CA 1.662 56.891 55.300 -0.119 0.000 1.114 433 M CB -0.751 31.713 32.600 -0.227 0.000 1.361 433 M HN 0.117 nan 8.290 nan 0.000 0.408 434 K N -0.808 119.719 120.400 0.212 0.000 2.519 434 K HA -0.125 4.195 4.320 -0.000 0.000 0.196 434 K C 0.986 177.656 176.600 0.116 0.000 1.041 434 K CA 1.071 57.525 56.287 0.278 0.000 0.954 434 K CB -0.061 32.531 32.500 0.155 0.000 0.774 434 K HN 0.229 nan 8.250 nan 0.000 0.480 435 E N 0.491 120.706 120.200 0.025 0.000 2.431 435 E HA 0.138 4.487 4.350 -0.000 0.000 0.200 435 E C 1.720 178.262 176.600 -0.098 0.000 0.995 435 E CA 0.242 56.623 56.400 -0.032 0.000 0.915 435 E CB 0.234 29.912 29.700 -0.037 0.000 0.930 435 E HN 0.410 nan 8.360 nan 0.000 0.496 436 I N 0.493 120.968 120.570 -0.158 0.000 2.703 436 I HA 0.042 4.212 4.170 -0.000 0.000 0.259 436 I C 0.839 176.706 176.117 -0.417 0.000 1.151 436 I CA 0.296 61.411 61.300 -0.308 0.000 1.470 436 I CB 0.365 38.121 38.000 -0.406 0.000 1.112 436 I HN -0.149 nan 8.210 nan 0.000 0.437 437 A N 1.374 124.002 122.820 -0.320 0.000 2.357 437 A HA 0.682 5.002 4.320 -0.000 0.000 0.295 437 A C -0.628 176.992 177.584 0.060 0.000 1.121 437 A CA -0.471 51.407 52.037 -0.265 0.000 0.742 437 A CB 0.861 19.543 19.000 -0.530 0.000 1.181 437 A HN 0.032 nan 8.150 nan 0.000 0.454 438 K N 2.239 122.608 120.400 -0.051 0.000 2.400 438 K HA 0.657 4.977 4.320 -0.000 0.000 0.246 438 K C -2.973 173.489 176.600 -0.230 0.000 0.995 438 K CA -2.063 54.182 56.287 -0.071 0.000 0.840 438 K CB 2.315 34.744 32.500 -0.118 0.000 1.293 438 K HN 0.364 nan 8.250 nan 0.000 0.445 439 P HA 0.150 nan 4.420 nan 0.000 0.272 439 P C -2.578 174.302 177.300 -0.699 0.000 1.230 439 P CA -1.299 61.224 63.100 -0.963 0.000 0.788 439 P CB -0.089 31.123 31.700 -0.814 0.000 0.949 440 P HA 0.009 nan 4.420 nan 0.000 0.267 440 P C 1.075 178.088 177.300 -0.480 0.000 1.201 440 P CA 0.105 62.892 63.100 -0.521 0.000 0.775 440 P CB 0.393 31.783 31.700 -0.516 0.000 0.854 441 R N 2.272 122.609 120.500 -0.272 0.000 2.091 441 R HA -0.196 4.143 4.340 -0.000 0.000 0.238 441 R C 2.071 178.258 176.300 -0.188 0.000 1.136 441 R CA 1.948 57.933 56.100 -0.192 0.000 0.959 441 R CB -0.809 29.435 30.300 -0.094 0.000 0.856 441 R HN 0.574 nan 8.270 nan 0.000 0.437 442 F N -0.246 119.590 119.950 -0.189 0.000 2.216 442 F HA -0.091 4.436 4.527 -0.000 0.000 0.300 442 F C 1.657 177.328 175.800 -0.215 0.000 1.085 442 F CA 0.813 58.724 58.000 -0.149 0.000 1.326 442 F CB -0.700 38.234 39.000 -0.111 0.000 1.027 442 F HN -0.213 nan 8.300 nan 0.000 0.497 443 V N 1.126 120.208 119.914 -1.387 0.000 2.358 443 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 443 V C 2.483 178.159 176.094 -0.695 0.000 1.047 443 V CA 2.203 63.721 62.300 -1.303 0.000 1.035 443 V CB -0.902 30.019 31.823 -1.504 0.000 0.658 443 V HN 0.447 nan 8.190 nan 0.000 0.452 444 Q N -0.222 119.290 119.800 -0.480 0.000 2.170 444 Q HA -0.230 4.110 4.340 -0.000 0.000 0.203 444 Q C 2.125 178.047 176.000 -0.129 0.000 0.976 444 Q CA 1.604 57.253 55.803 -0.256 0.000 0.858 444 Q CB -0.169 28.449 28.738 -0.200 0.000 0.907 444 Q HN 0.700 nan 8.270 nan 0.000 0.433 445 E N 0.474 120.610 120.200 -0.106 0.000 2.274 445 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 445 E C 1.794 178.426 176.600 0.053 0.000 0.996 445 E CA 0.819 57.216 56.400 -0.004 0.000 0.840 445 E CB 0.088 29.805 29.700 0.028 0.000 0.772 445 E HN 0.543 nan 8.360 nan 0.000 0.491 446 I N -3.051 117.542 120.570 0.038 0.000 4.181 446 I HA 0.200 4.370 4.170 -0.000 0.000 0.331 446 I C 0.914 177.160 176.117 0.216 0.000 1.312 446 I CA -0.426 60.970 61.300 0.160 0.000 1.146 446 I CB 0.689 38.829 38.000 0.234 0.000 1.074 446 I HN -0.218 nan 8.210 nan 0.000 0.402 447 S N 1.723 117.491 115.700 0.113 0.000 2.546 447 S HA 0.146 4.615 4.470 -0.000 0.000 0.290 447 S C 1.102 175.842 174.600 0.233 0.000 1.262 447 S CA -0.126 58.199 58.200 0.207 0.000 1.083 447 S CB 0.405 63.659 63.200 0.090 0.000 0.859 447 S HN 0.405 nan 8.310 nan 0.000 0.495 448 M N 4.796 124.533 119.600 0.228 0.000 2.175 448 M HA -0.079 4.401 4.480 -0.000 0.000 0.264 448 M C 2.011 178.487 176.300 0.294 0.000 1.063 448 M CA 1.240 56.642 55.300 0.169 0.000 1.119 448 M CB -0.402 32.090 32.600 -0.180 0.000 1.377 448 M HN 0.612 nan 8.290 nan 0.000 0.415 449 V N 0.888 120.982 119.914 0.301 0.000 2.343 449 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 449 V C 2.076 178.414 176.094 0.407 0.000 1.051 449 V CA 2.086 64.629 62.300 0.404 0.000 1.036 449 V CB -0.920 31.055 31.823 0.254 0.000 0.654 449 V HN 0.514 nan 8.190 nan 0.000 0.451 450 N N 0.353 119.208 118.700 0.259 0.000 2.244 450 N HA -0.190 4.550 4.740 -0.000 0.000 0.183 450 N C 1.856 177.481 175.510 0.193 0.000 1.016 450 N CA 1.294 54.461 53.050 0.195 0.000 0.866 450 N CB -0.258 38.289 38.487 0.099 0.000 0.980 450 N HN 0.329 nan 8.380 nan 0.000 0.430 451 R N 0.138 120.763 120.500 0.208 0.000 2.115 451 R HA 0.126 4.466 4.340 -0.000 0.000 0.230 451 R C 1.848 178.202 176.300 0.090 0.000 1.111 451 R CA 1.174 57.371 56.100 0.162 0.000 0.976 451 R CB -0.430 30.020 30.300 0.249 0.000 0.870 451 R HN 0.321 nan 8.270 nan 0.000 0.445 452 L N -1.668 119.633 121.223 0.131 0.000 2.249 452 L HA 0.125 4.465 4.340 -0.000 0.000 0.207 452 L C 0.581 177.293 176.870 -0.264 0.000 1.090 452 L CA 0.159 54.921 54.840 -0.130 0.000 0.802 452 L CB 0.016 41.933 42.059 -0.236 0.000 0.947 452 L HN 0.219 nan 8.230 nan 0.000 0.453 453 W N 1.608 122.930 121.300 0.037 0.000 1.993 453 W HA 0.303 4.963 4.660 -0.000 0.000 0.288 453 W C -2.310 174.243 176.519 0.056 0.000 0.844 453 W CA -1.878 55.489 57.345 0.037 0.000 2.039 453 W CB -0.015 29.457 29.460 0.021 0.000 2.270 453 W HN -0.073 nan 8.180 nan 0.000 0.389 454 P HA -0.027 nan 4.420 nan 0.000 0.271 454 P C 0.098 177.502 177.300 0.174 0.000 1.226 454 P CA 0.304 63.496 63.100 0.152 0.000 0.765 454 P CB 0.929 32.691 31.700 0.103 0.000 0.835 455 D N 3.152 123.629 120.400 0.128 0.000 2.767 455 D HA 0.098 4.738 4.640 -0.000 0.000 0.231 455 D C 0.111 176.460 176.300 0.081 0.000 1.105 455 D CA -0.051 54.009 54.000 0.101 0.000 1.024 455 D CB -0.586 40.248 40.800 0.057 0.000 1.123 455 D HN 0.058 nan 8.370 nan 0.000 0.470 456 V N -0.879 119.112 119.914 0.128 0.000 3.234 456 V HA 0.842 4.961 4.120 -0.000 0.000 0.317 456 V C 0.527 176.677 176.094 0.093 0.000 1.081 456 V CA -0.745 61.624 62.300 0.115 0.000 1.037 456 V CB 1.544 33.454 31.823 0.146 0.000 1.148 456 V HN 0.284 nan 8.190 nan 0.000 0.453 457 S N -0.533 115.213 115.700 0.077 0.000 2.851 457 S HA 0.923 5.393 4.470 -0.000 0.000 0.317 457 S C 0.719 175.373 174.600 0.090 0.000 1.144 457 S CA -0.090 58.128 58.200 0.031 0.000 0.862 457 S CB 0.748 63.944 63.200 -0.006 0.000 1.259 457 S HN 2.535 nan 8.310 nan 0.000 0.564 458 G N 1.335 110.170 108.800 0.057 0.000 2.632 458 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.322 458 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.322 458 G C 1.182 176.139 174.900 0.095 0.000 1.326 458 G CA 1.239 46.376 45.100 0.063 0.000 0.986 458 G HN 1.849 nan 8.290 nan 0.000 0.541 459 A N -0.989 121.868 122.820 0.062 0.000 1.933 459 A HA 0.039 4.359 4.320 -0.000 0.000 0.218 459 A C 2.200 179.816 177.584 0.055 0.000 1.175 459 A CA 2.342 54.408 52.037 0.050 0.000 0.628 459 A CB -0.528 18.489 19.000 0.028 0.000 0.814 459 A HN 0.786 nan 8.150 nan 0.000 0.444 460 E N -1.755 118.486 120.200 0.067 0.000 2.118 460 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 460 E C 1.828 178.481 176.600 0.088 0.000 0.992 460 E CA 1.551 57.989 56.400 0.064 0.000 0.804 460 E CB -0.288 29.454 29.700 0.070 0.000 0.741 460 E HN 0.810 nan 8.360 nan 0.000 0.458 461 Y N 1.075 121.383 120.300 0.013 0.000 2.263 461 Y HA -0.176 4.374 4.550 -0.000 0.000 0.292 461 Y C 1.978 177.882 175.900 0.007 0.000 1.130 461 Y CA 0.952 59.064 58.100 0.020 0.000 1.179 461 Y CB 0.085 38.559 38.460 0.025 0.000 0.998 461 Y HN -0.026 nan 8.280 nan 0.000 0.532 462 I N 0.735 121.340 120.570 0.058 0.000 2.163 462 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 462 I C 2.045 178.110 176.117 -0.086 0.000 1.085 462 I CA 1.621 62.906 61.300 -0.027 0.000 1.347 462 I CB -1.294 36.718 38.000 0.020 0.000 1.044 462 I HN 0.275 nan 8.210 nan 0.000 0.408 463 K N 0.184 120.552 120.400 -0.054 0.000 2.147 463 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 463 K C 2.093 178.635 176.600 -0.097 0.000 1.049 463 K CA 0.815 57.067 56.287 -0.058 0.000 0.936 463 K CB -0.213 32.267 32.500 -0.033 0.000 0.722 463 K HN 0.195 nan 8.250 nan 0.000 0.446 464 L N 1.505 122.640 121.223 -0.146 0.000 1.989 464 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 464 L C 2.092 178.842 176.870 -0.200 0.000 1.071 464 L CA 1.745 56.472 54.840 -0.190 0.000 0.749 464 L CB -0.784 41.104 42.059 -0.285 0.000 0.890 464 L HN 0.213 nan 8.230 nan 0.000 0.431 465 L N -0.934 120.115 121.223 -0.289 0.000 2.093 465 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 465 L C 2.628 179.424 176.870 -0.123 0.000 1.085 465 L CA 1.004 55.710 54.840 -0.224 0.000 0.755 465 L CB -0.463 41.419 42.059 -0.294 0.000 0.904 465 L HN 0.335 nan 8.230 nan 0.000 0.435 466 Q N -0.003 119.733 119.800 -0.106 0.000 2.119 466 Q HA -0.070 4.269 4.340 -0.000 0.000 0.201 466 Q C 0.602 176.569 176.000 -0.055 0.000 0.972 466 Q CA 0.896 56.658 55.803 -0.068 0.000 0.847 466 Q CB 0.010 28.715 28.738 -0.055 0.000 0.903 466 Q HN 0.474 nan 8.270 nan 0.000 0.433 467 R N 1.175 121.639 120.500 -0.060 0.000 2.582 467 R HA 0.077 4.417 4.340 -0.000 0.000 0.271 467 R C -0.025 176.246 176.300 -0.050 0.000 1.078 467 R CA -0.037 56.031 56.100 -0.052 0.000 1.127 467 R CB 0.284 30.549 30.300 -0.059 0.000 1.038 467 R HN 0.163 nan 8.270 nan 0.000 0.500 468 E N 1.418 121.595 120.200 -0.039 0.000 2.528 468 E HA -0.064 4.286 4.350 -0.000 0.000 0.237 468 E C -0.029 176.545 176.600 -0.042 0.000 1.408 468 E CA 0.222 56.607 56.400 -0.025 0.000 1.571 468 E CB 0.002 29.691 29.700 -0.017 0.000 1.395 468 E HN 0.502 nan 8.360 nan 0.000 0.438 469 E N 0.010 120.173 120.200 -0.062 0.000 2.474 469 E HA -0.024 4.326 4.350 -0.000 0.000 0.195 469 E C -0.321 176.198 176.600 -0.135 0.000 1.039 469 E CA -0.262 56.071 56.400 -0.112 0.000 0.881 469 E CB 0.316 29.944 29.700 -0.121 0.000 0.970 469 E HN 0.324 nan 8.360 nan 0.000 0.486 470 Y N 1.288 121.471 120.300 -0.196 0.000 2.359 470 Y HA 0.288 4.838 4.550 -0.000 0.000 0.330 470 Y C -0.775 175.025 175.900 -0.167 0.000 1.143 470 Y CA -0.225 57.758 58.100 -0.194 0.000 1.318 470 Y CB 0.377 38.733 38.460 -0.172 0.000 1.234 470 Y HN -0.193 nan 8.280 nan 0.000 0.522 471 L N 8.466 129.073 121.223 -1.028 0.000 2.386 471 L HA 0.490 4.830 4.340 -0.000 0.000 0.271 471 L C -2.409 174.006 176.870 -0.758 0.000 0.993 471 L CA -2.430 51.895 54.840 -0.859 0.000 0.819 471 L CB 2.050 43.589 42.059 -0.867 0.000 1.294 471 L HN 0.561 nan 8.230 nan 0.000 0.414 472 P HA -0.026 nan 4.420 nan 0.000 0.266 472 P C 0.305 177.722 177.300 0.194 0.000 1.195 472 P CA -0.002 63.074 63.100 -0.039 0.000 0.768 472 P CB 0.822 32.565 31.700 0.072 0.000 0.838 473 E N 3.192 123.499 120.200 0.178 0.000 2.160 473 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 473 E C 1.219 177.799 176.600 -0.033 0.000 0.991 473 E CA 1.830 58.279 56.400 0.081 0.000 0.810 473 E CB -0.547 29.205 29.700 0.087 0.000 0.742 473 E HN 0.492 nan 8.360 nan 0.000 0.466 474 D N -0.399 120.010 120.400 0.014 0.000 2.363 474 D HA -0.142 4.498 4.640 -0.000 0.000 0.220 474 D C 1.245 177.521 176.300 -0.039 0.000 0.994 474 D CA 0.544 54.530 54.000 -0.025 0.000 0.890 474 D CB -0.151 40.653 40.800 0.007 0.000 0.906 474 D HN 0.362 nan 8.370 nan 0.000 0.530 475 Q N -0.369 119.433 119.800 0.003 0.000 2.384 475 Q HA 0.113 4.453 4.340 -0.000 0.000 0.207 475 Q C 0.617 176.511 176.000 -0.177 0.000 0.904 475 Q CA -0.310 55.517 55.803 0.040 0.000 0.933 475 Q CB 0.709 29.579 28.738 0.220 0.000 1.077 475 Q HN 0.117 nan 8.270 nan 0.000 0.522 476 R N 2.527 122.696 120.500 -0.551 0.000 2.370 476 R HA 0.124 4.464 4.340 -0.000 0.000 0.309 476 R C -2.475 173.388 176.300 -0.729 0.000 1.059 476 R CA -1.709 53.606 56.100 -1.308 0.000 0.981 476 R CB 0.420 29.853 30.300 -1.445 0.000 0.972 476 R HN -0.149 nan 8.270 nan 0.000 0.437 477 P HA -0.012 nan 4.420 nan 0.000 0.262 477 P C -1.187 175.847 177.300 -0.443 0.000 1.199 477 P CA 0.415 63.238 63.100 -0.462 0.000 0.763 477 P CB 0.424 31.910 31.700 -0.356 0.000 0.790 478 K N 2.970 123.131 120.400 -0.398 0.000 2.300 478 K HA 0.279 4.598 4.320 -0.000 0.000 0.264 478 K C 0.441 176.794 176.600 -0.412 0.000 1.083 478 K CA -0.343 55.724 56.287 -0.367 0.000 0.958 478 K CB 0.701 33.017 32.500 -0.306 0.000 1.318 478 K HN 0.292 nan 8.250 nan 0.000 0.448 479 V N -0.541 119.130 119.914 -0.404 0.000 3.623 479 V HA 0.126 4.246 4.120 -0.000 0.000 0.283 479 V C 0.938 176.870 176.094 -0.271 0.000 1.643 479 V CA -0.167 61.915 62.300 -0.364 0.000 1.121 479 V CB 0.407 32.241 31.823 0.018 0.000 0.933 479 V HN 0.578 nan 8.190 nan 0.000 0.420 480 E N 0.829 120.889 120.200 -0.234 0.000 2.447 480 E HA 0.219 4.569 4.350 -0.000 0.000 0.195 480 E C 0.558 177.106 176.600 -0.086 0.000 1.028 480 E CA 0.209 56.607 56.400 -0.004 0.000 0.876 480 E CB 0.324 30.056 29.700 0.053 0.000 0.885 480 E HN 0.765 nan 8.360 nan 0.000 0.500 481 Q N 0.397 119.918 119.800 -0.464 0.000 2.891 481 Q HA 0.248 4.588 4.340 -0.000 0.000 0.242 481 Q C -1.570 173.908 176.000 -0.871 0.000 0.959 481 Q CA -0.393 55.028 55.803 -0.636 0.000 0.707 481 Q CB 0.937 29.077 28.738 -0.997 0.000 1.283 481 Q HN 0.016 nan 8.270 nan 0.000 0.480 482 F N 0.459 120.303 119.950 -0.176 0.000 2.458 482 F HA 0.463 4.990 4.527 -0.000 0.000 0.330 482 F C 0.150 176.077 175.800 0.211 0.000 1.082 482 F CA -1.163 56.831 58.000 -0.010 0.000 0.995 482 F CB 1.274 40.262 39.000 -0.021 0.000 1.170 482 F HN 0.361 nan 8.300 nan 0.000 0.478 483 C N 5.410 124.982 119.300 0.452 0.000 2.351 483 C HA 0.875 5.335 4.460 -0.000 0.000 0.326 483 C C -1.073 173.976 174.990 0.098 0.000 1.272 483 C CA -0.642 58.397 59.018 0.035 0.000 1.650 483 C CB -0.699 27.016 27.740 -0.042 0.000 2.257 483 C HN 0.636 nan 8.230 nan 0.000 0.505 484 L N 5.734 126.830 121.223 -0.213 0.000 2.365 484 L HA 0.829 5.169 4.340 -0.000 0.000 0.273 484 L C 0.116 176.612 176.870 -0.623 0.000 1.000 484 L CA -0.161 54.472 54.840 -0.346 0.000 0.819 484 L CB 1.547 43.453 42.059 -0.255 0.000 1.284 484 L HN 0.853 nan 8.230 nan 0.000 0.418 485 A N 1.478 123.588 122.820 -1.184 0.000 2.381 485 A HA 0.915 5.235 4.320 -0.000 0.000 0.299 485 A C -0.351 176.913 177.584 -0.533 0.000 1.049 485 A CA -0.172 51.339 52.037 -0.878 0.000 0.715 485 A CB 1.465 19.840 19.000 -1.042 0.000 1.222 485 A HN 0.762 nan 8.150 nan 0.000 0.428 486 G N 1.383 110.147 108.800 -0.061 0.000 2.571 486 G HA2 0.569 4.529 3.960 -0.000 0.000 0.304 486 G HA3 0.569 4.529 3.960 -0.000 0.000 0.304 486 G C -0.471 174.637 174.900 0.347 0.000 1.314 486 G CA -0.745 44.442 45.100 0.145 0.000 0.975 486 G HN 0.664 nan 8.290 nan 0.000 0.485 487 M N 1.615 121.384 119.600 0.282 0.000 2.242 487 M HA 0.409 4.888 4.480 -0.000 0.000 0.344 487 M C 1.033 177.363 176.300 0.050 0.000 1.140 487 M CA -0.277 55.087 55.300 0.108 0.000 1.160 487 M CB 1.301 33.895 32.600 -0.010 0.000 1.491 487 M HN 0.638 nan 8.290 nan 0.000 0.459 488 A N 1.998 124.815 122.820 -0.006 0.000 2.565 488 A HA 0.395 4.715 4.320 -0.000 0.000 0.237 488 A C 1.224 178.827 177.584 0.030 0.000 1.053 488 A CA 0.667 52.714 52.037 0.016 0.000 0.755 488 A CB -0.688 18.302 19.000 -0.016 0.000 0.980 488 A HN 1.245 nan 8.150 nan 0.000 0.506 489 G N 1.454 110.300 108.800 0.077 0.000 2.175 489 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.244 489 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 489 G C 0.488 175.479 174.900 0.152 0.000 0.982 489 G CA 0.354 45.524 45.100 0.118 0.000 0.641 489 G HN 1.188 nan 8.290 nan 0.000 0.527 490 S N -0.302 115.469 115.700 0.118 0.000 2.580 490 S HA 0.585 5.055 4.470 -0.000 0.000 0.274 490 S C -0.513 174.230 174.600 0.238 0.000 1.329 490 S CA -0.002 58.269 58.200 0.119 0.000 1.036 490 S CB 1.352 64.591 63.200 0.065 0.000 0.919 490 S HN 0.756 nan 8.310 nan 0.000 0.515 491 Y N 1.184 121.536 120.300 0.087 0.000 2.421 491 Y HA 0.432 4.982 4.550 -0.000 0.000 0.339 491 Y C -0.718 175.192 175.900 0.017 0.000 0.996 491 Y CA -0.475 57.686 58.100 0.102 0.000 1.046 491 Y CB 1.453 40.028 38.460 0.192 0.000 1.226 491 Y HN 0.555 nan 8.280 nan 0.000 0.445 492 T N 5.840 120.005 114.554 -0.648 0.000 2.807 492 T HA 0.217 4.567 4.350 -0.000 0.000 0.279 492 T C -1.015 173.104 174.700 -0.967 0.000 0.993 492 T CA -0.558 61.183 62.100 -0.598 0.000 0.970 492 T CB 1.092 69.748 68.868 -0.354 0.000 0.950 492 T HN 0.605 nan 8.240 nan 0.000 0.441 493 D N 0.757 120.783 120.400 -0.624 0.000 2.411 493 D HA 0.326 4.966 4.640 -0.000 0.000 0.251 493 D C -0.150 176.010 176.300 -0.234 0.000 1.201 493 D CA -0.956 52.790 54.000 -0.423 0.000 0.996 493 D CB 0.480 41.270 40.800 -0.017 0.000 1.101 493 D HN 0.307 nan 8.370 nan 0.000 0.504 494 F N 1.541 121.444 119.950 -0.079 0.000 2.607 494 F HA 0.155 4.682 4.527 -0.000 0.000 0.374 494 F C 1.037 176.773 175.800 -0.107 0.000 1.104 494 F CA 0.956 58.826 58.000 -0.217 0.000 1.296 494 F CB 0.261 39.040 39.000 -0.368 0.000 1.085 494 F HN 0.273 nan 8.300 nan 0.000 0.584 495 H N -0.604 118.330 119.070 -0.226 0.000 2.969 495 H HA 0.530 5.086 4.556 -0.000 0.000 0.304 495 H C -2.124 172.931 175.328 -0.455 0.000 1.400 495 H CA -1.134 54.776 56.048 -0.229 0.000 1.182 495 H CB 0.473 30.098 29.762 -0.228 0.000 1.865 495 H HN 0.323 nan 8.280 nan 0.000 0.512 496 V N 1.596 121.400 119.914 -0.184 0.000 2.513 496 V HA 0.135 4.255 4.120 -0.000 0.000 0.299 496 V C -0.096 176.093 176.094 0.158 0.000 1.035 496 V CA -0.551 61.704 62.300 -0.075 0.000 0.889 496 V CB 1.355 33.154 31.823 -0.040 0.000 0.988 496 V HN 0.705 nan 8.190 nan 0.000 0.440 497 D N 3.899 124.434 120.400 0.225 0.000 2.443 497 D HA 0.219 4.859 4.640 -0.000 0.000 0.239 497 D C 0.078 176.538 176.300 0.267 0.000 1.136 497 D CA 0.137 54.239 54.000 0.169 0.000 0.879 497 D CB 0.296 41.216 40.800 0.200 0.000 1.195 497 D HN 0.393 nan 8.370 nan 0.000 0.443 498 F N 0.386 120.471 119.950 0.224 0.000 2.629 498 F HA 0.300 4.827 4.527 -0.000 0.000 0.369 498 F C 1.572 177.589 175.800 0.361 0.000 1.125 498 F CA -1.208 56.957 58.000 0.275 0.000 1.330 498 F CB -0.936 38.215 39.000 0.253 0.000 1.071 498 F HN 0.529 nan 8.300 nan 0.000 0.595 499 G N 0.752 109.810 108.800 0.430 0.000 2.189 499 G HA2 0.071 4.030 3.960 -0.000 0.000 0.267 499 G HA3 0.071 4.030 3.960 -0.000 0.000 0.267 499 G C 1.169 176.137 174.900 0.114 0.000 0.975 499 G CA 0.627 45.770 45.100 0.071 0.000 0.644 499 G HN 2.524 nan 8.290 nan 0.000 0.537 500 G N -1.041 107.865 108.800 0.177 0.000 2.198 500 G HA2 0.080 4.040 3.960 -0.000 0.000 0.260 500 G HA3 0.080 4.040 3.960 -0.000 0.000 0.260 500 G C 0.697 175.671 174.900 0.124 0.000 1.025 500 G CA 1.330 46.508 45.100 0.129 0.000 0.769 500 G HN 2.387 nan 8.290 nan 0.000 0.507 501 S N -0.563 115.269 115.700 0.220 0.000 2.579 501 S HA 0.660 5.130 4.470 -0.000 0.000 0.275 501 S C 0.761 175.380 174.600 0.032 0.000 1.345 501 S CA 0.308 58.610 58.200 0.170 0.000 1.031 501 S CB 1.718 65.194 63.200 0.459 0.000 0.892 501 S HN 0.729 nan 8.310 nan 0.000 0.529 502 S N 0.619 116.167 115.700 -0.253 0.000 2.645 502 S HA 0.611 5.080 4.470 -0.000 0.000 0.266 502 S C -0.340 174.117 174.600 -0.238 0.000 1.258 502 S CA -0.755 57.205 58.200 -0.401 0.000 0.990 502 S CB 0.796 63.552 63.200 -0.741 0.000 0.967 502 S HN 0.690 nan 8.310 nan 0.000 0.556 503 V N 1.931 121.893 119.914 0.080 0.000 2.808 503 V HA 0.449 4.569 4.120 -0.000 0.000 0.308 503 V C -1.316 175.065 176.094 0.478 0.000 1.099 503 V CA -0.925 61.549 62.300 0.291 0.000 0.920 503 V CB 1.438 33.366 31.823 0.176 0.000 1.014 503 V HN 0.872 nan 8.190 nan 0.000 0.425 504 Y N 2.606 123.169 120.300 0.437 0.000 2.446 504 Y HA 0.848 5.398 4.550 -0.000 0.000 0.338 504 Y C -1.296 174.809 175.900 0.343 0.000 1.055 504 Y CA -1.737 56.555 58.100 0.320 0.000 1.101 504 Y CB 1.615 40.191 38.460 0.192 0.000 1.221 504 Y HN 0.617 nan 8.280 nan 0.000 0.460 505 Y N 3.735 124.152 120.300 0.195 0.000 2.301 505 Y HA 0.277 4.827 4.550 -0.000 0.000 0.334 505 Y C -1.707 174.302 175.900 0.181 0.000 1.158 505 Y CA -0.750 57.416 58.100 0.110 0.000 1.266 505 Y CB 0.489 38.968 38.460 0.032 0.000 1.153 505 Y HN 1.014 nan 8.280 nan 0.000 0.453 506 H N 5.707 124.820 119.070 0.073 0.000 2.476 506 H HA 0.512 5.068 4.556 -0.000 0.000 0.328 506 H C -0.804 174.555 175.328 0.051 0.000 1.073 506 H CA -0.686 55.427 56.048 0.108 0.000 1.229 506 H CB 0.884 30.736 29.762 0.150 0.000 1.432 506 H HN 0.494 nan 8.280 nan 0.000 0.477 507 I N 7.737 128.040 120.570 -0.444 0.000 2.294 507 I HA -0.056 4.114 4.170 -0.000 0.000 0.295 507 I C 1.004 176.941 176.117 -0.301 0.000 1.098 507 I CA -0.087 61.061 61.300 -0.254 0.000 1.277 507 I CB 0.371 38.312 38.000 -0.099 0.000 1.434 507 I HN 0.719 nan 8.210 nan 0.000 0.498 508 L N 7.085 128.293 121.223 -0.024 0.000 2.044 508 L HA 0.017 4.356 4.340 -0.000 0.000 0.205 508 L C 0.701 177.626 176.870 0.091 0.000 1.075 508 L CA 1.895 56.811 54.840 0.128 0.000 0.747 508 L CB -0.021 42.244 42.059 0.343 0.000 0.903 508 L HN 0.516 nan 8.230 nan 0.000 0.435 509 K N -1.639 118.810 120.400 0.082 0.000 2.525 509 K HA 0.554 4.874 4.320 -0.000 0.000 0.254 509 K C -0.331 176.314 176.600 0.076 0.000 0.934 509 K CA -0.158 56.180 56.287 0.085 0.000 0.802 509 K CB 1.923 34.494 32.500 0.118 0.000 1.295 509 K HN 0.196 nan 8.250 nan 0.000 0.433 510 G N 1.677 110.521 108.800 0.072 0.000 2.445 510 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.212 510 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.212 510 G C -1.293 173.649 174.900 0.069 0.000 1.217 510 G CA -0.187 44.959 45.100 0.077 0.000 1.002 510 G HN 0.682 nan 8.290 nan 0.000 0.574 511 E N -0.507 119.745 120.200 0.087 0.000 2.378 511 E HA 0.587 4.937 4.350 -0.000 0.000 0.283 511 E C -1.401 175.276 176.600 0.128 0.000 0.979 511 E CA -0.913 55.543 56.400 0.093 0.000 0.795 511 E CB 1.287 31.029 29.700 0.070 0.000 1.221 511 E HN 0.469 nan 8.360 nan 0.000 0.428 512 K N 3.387 123.883 120.400 0.160 0.000 2.426 512 K HA 0.544 4.864 4.320 -0.000 0.000 0.251 512 K C -0.822 175.873 176.600 0.159 0.000 0.941 512 K CA -0.718 55.686 56.287 0.195 0.000 0.808 512 K CB 1.814 34.530 32.500 0.359 0.000 1.265 512 K HN 0.521 nan 8.250 nan 0.000 0.432 513 I N 2.575 123.197 120.570 0.086 0.000 2.382 513 I HA 0.313 4.483 4.170 -0.000 0.000 0.286 513 I C -0.668 175.311 176.117 -0.231 0.000 1.002 513 I CA -0.785 60.486 61.300 -0.048 0.000 1.135 513 I CB 0.699 38.646 38.000 -0.089 0.000 1.288 513 I HN 0.283 nan 8.210 nan 0.000 0.448 514 F N 5.494 125.210 119.950 -0.391 0.000 2.404 514 F HA 0.436 4.962 4.527 -0.000 0.000 0.339 514 F C -0.310 175.216 175.800 -0.458 0.000 1.105 514 F CA -0.352 57.443 58.000 -0.341 0.000 1.087 514 F CB 0.962 39.816 39.000 -0.244 0.000 1.143 514 F HN 0.227 nan 8.300 nan 0.000 0.491 515 Y N 4.509 124.978 120.300 0.282 0.000 2.328 515 Y HA 0.607 5.157 4.550 -0.000 0.000 0.336 515 Y C 0.037 176.186 175.900 0.416 0.000 0.960 515 Y CA -1.168 57.166 58.100 0.390 0.000 1.134 515 Y CB 1.084 39.869 38.460 0.542 0.000 1.166 515 Y HN 0.391 nan 8.280 nan 0.000 0.464 516 I N 0.142 121.025 120.570 0.521 0.000 2.828 516 I HA 1.081 5.251 4.170 -0.000 0.000 0.302 516 I C -1.123 175.284 176.117 0.485 0.000 1.101 516 I CA -1.212 60.391 61.300 0.505 0.000 1.031 516 I CB 2.535 40.767 38.000 0.386 0.000 1.231 516 I HN 0.572 nan 8.210 nan 0.000 0.427 517 A N 3.346 126.432 122.820 0.444 0.000 2.455 517 A HA 0.869 5.189 4.320 -0.000 0.000 0.300 517 A C -0.255 177.187 177.584 -0.238 0.000 1.040 517 A CA -0.466 51.672 52.037 0.170 0.000 0.697 517 A CB 1.407 20.472 19.000 0.108 0.000 1.265 517 A HN 1.304 nan 8.150 nan 0.000 0.407 518 A N 2.667 125.121 122.820 -0.610 0.000 2.466 518 A HA 0.573 4.893 4.320 -0.000 0.000 0.238 518 A C -2.208 174.744 177.584 -1.054 0.000 1.074 518 A CA -0.909 50.304 52.037 -1.374 0.000 0.774 518 A CB -0.429 18.079 19.000 -0.820 0.000 1.015 518 A HN 0.496 nan 8.150 nan 0.000 0.498 519 P HA 0.154 nan 4.420 nan 0.000 0.220 519 P C -0.078 176.573 177.300 -1.081 0.000 1.806 519 P CA -0.002 62.375 63.100 -1.204 0.000 0.976 519 P CB -0.611 30.651 31.700 -0.730 0.000 1.952 520 T N -2.679 111.367 114.554 -0.847 0.000 2.927 520 T HA 0.275 4.625 4.350 -0.000 0.000 0.281 520 T C 1.267 175.717 174.700 -0.418 0.000 0.998 520 T CA -0.600 61.205 62.100 -0.491 0.000 1.019 520 T CB 1.433 70.119 68.868 -0.305 0.000 1.061 520 T HN -0.053 nan 8.240 nan 0.000 0.518 521 E N 0.319 120.436 120.200 -0.138 0.000 2.077 521 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 521 E C 2.059 178.675 176.600 0.026 0.000 0.989 521 E CA 1.315 57.737 56.400 0.036 0.000 0.800 521 E CB -0.339 29.395 29.700 0.057 0.000 0.746 521 E HN 0.897 nan 8.360 nan 0.000 0.452 522 Q N 0.728 120.506 119.800 -0.037 0.000 2.061 522 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 522 Q C 1.702 177.697 176.000 -0.009 0.000 0.984 522 Q CA 1.672 57.461 55.803 -0.024 0.000 0.846 522 Q CB 0.017 28.724 28.738 -0.053 0.000 0.902 522 Q HN 0.127 nan 8.270 nan 0.000 0.421 523 N N -0.172 118.480 118.700 -0.080 0.000 2.142 523 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 523 N C 1.502 177.091 175.510 0.131 0.000 1.023 523 N CA 1.061 54.091 53.050 -0.033 0.000 0.852 523 N CB -0.504 37.861 38.487 -0.203 0.000 0.998 523 N HN 0.230 nan 8.380 nan 0.000 0.424 524 F N 1.472 121.444 119.950 0.037 0.000 2.126 524 F HA -0.042 4.484 4.527 -0.000 0.000 0.299 524 F C 2.373 178.239 175.800 0.111 0.000 1.096 524 F CA 0.478 58.525 58.000 0.079 0.000 1.255 524 F CB -1.132 37.888 39.000 0.034 0.000 0.997 524 F HN 0.015 nan 8.300 nan 0.000 0.479 525 A N -0.118 122.857 122.820 0.258 0.000 1.877 525 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 525 A C 2.486 180.166 177.584 0.160 0.000 1.186 525 A CA 1.858 53.990 52.037 0.158 0.000 0.620 525 A CB -1.294 17.763 19.000 0.096 0.000 0.822 525 A HN 0.285 nan 8.150 nan 0.000 0.443 526 A N -1.448 121.485 122.820 0.189 0.000 1.908 526 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 526 A C 2.170 180.017 177.584 0.439 0.000 1.181 526 A CA 1.816 53.998 52.037 0.242 0.000 0.627 526 A CB -0.817 18.273 19.000 0.151 0.000 0.818 526 A HN 0.770 nan 8.150 nan 0.000 0.445 527 Y N 0.230 120.699 120.300 0.282 0.000 2.200 527 Y HA -0.197 4.353 4.550 -0.000 0.000 0.290 527 Y C 2.518 178.453 175.900 0.059 0.000 1.137 527 Y CA 2.138 60.242 58.100 0.007 0.000 1.163 527 Y CB -0.607 37.761 38.460 -0.153 0.000 0.988 527 Y HN 0.490 nan 8.280 nan 0.000 0.518 528 Q N -0.032 119.754 119.800 -0.024 0.000 2.124 528 Q HA -0.185 4.154 4.340 -0.000 0.000 0.202 528 Q C 2.261 178.189 176.000 -0.121 0.000 0.977 528 Q CA 1.695 57.406 55.803 -0.153 0.000 0.850 528 Q CB -0.327 28.389 28.738 -0.036 0.000 0.901 528 Q HN 0.581 nan 8.270 nan 0.000 0.429 529 A N 0.456 123.270 122.820 -0.011 0.000 1.873 529 A HA -0.225 4.095 4.320 -0.000 0.000 0.215 529 A C 2.045 179.627 177.584 -0.004 0.000 1.186 529 A CA 1.500 53.537 52.037 0.000 0.000 0.616 529 A CB -1.100 17.927 19.000 0.045 0.000 0.823 529 A HN 0.678 nan 8.150 nan 0.000 0.442 530 H N -0.354 118.693 119.070 -0.037 0.000 2.352 530 H HA -0.161 4.394 4.556 -0.000 0.000 0.299 530 H C 1.931 177.180 175.328 -0.132 0.000 1.097 530 H CA 2.062 58.096 56.048 -0.024 0.000 1.311 530 H CB 0.028 29.860 29.762 0.116 0.000 1.377 530 H HN 0.545 nan 8.280 nan 0.000 0.504 531 E N -0.032 119.986 120.200 -0.304 0.000 2.274 531 E HA -0.078 4.271 4.350 -0.000 0.000 0.194 531 E C 1.990 178.429 176.600 -0.268 0.000 0.996 531 E CA 1.525 57.698 56.400 -0.377 0.000 0.840 531 E CB 0.081 29.461 29.700 -0.534 0.000 0.772 531 E HN 0.631 nan 8.360 nan 0.000 0.491 532 T N -2.807 111.624 114.554 -0.205 0.000 3.037 532 T HA 0.141 4.491 4.350 -0.000 0.000 0.251 532 T C 1.038 175.664 174.700 -0.123 0.000 1.079 532 T CA 0.091 62.104 62.100 -0.145 0.000 1.067 532 T CB 0.167 68.967 68.868 -0.114 0.000 0.948 532 T HN 0.029 nan 8.240 nan 0.000 0.496 533 S N 2.529 118.150 115.700 -0.132 0.000 2.564 533 S HA 0.305 4.775 4.470 -0.000 0.000 0.278 533 S C -1.613 172.915 174.600 -0.120 0.000 1.333 533 S CA -1.207 56.930 58.200 -0.105 0.000 1.048 533 S CB 0.989 64.138 63.200 -0.085 0.000 0.900 533 S HN 0.111 nan 8.310 nan 0.000 0.505 534 P HA 0.128 nan 4.420 nan 0.000 0.236 534 P C -0.188 177.072 177.300 -0.067 0.000 1.177 534 P CA 0.041 63.097 63.100 -0.074 0.000 0.773 534 P CB -0.145 31.524 31.700 -0.052 0.000 0.878 535 D N -0.457 119.904 120.400 -0.065 0.000 2.525 535 D HA -0.017 4.623 4.640 -0.000 0.000 0.235 535 D C 0.811 177.080 176.300 -0.052 0.000 1.137 535 D CA 1.050 55.023 54.000 -0.044 0.000 0.868 535 D CB 0.489 41.276 40.800 -0.022 0.000 1.180 535 D HN -0.167 nan 8.370 nan 0.000 0.465 536 T N 0.612 115.151 114.554 -0.025 0.000 3.058 536 T HA 0.052 4.401 4.350 -0.000 0.000 0.278 536 T C 1.246 175.937 174.700 -0.014 0.000 0.974 536 T CA 0.622 62.719 62.100 -0.004 0.000 0.893 536 T CB 0.042 68.913 68.868 0.005 0.000 1.138 536 T HN 0.542 nan 8.240 nan 0.000 0.529 537 T N -1.128 113.430 114.554 0.007 0.000 3.054 537 T HA 0.256 4.606 4.350 -0.000 0.000 0.255 537 T C 0.533 175.300 174.700 0.112 0.000 1.035 537 T CA -0.151 61.969 62.100 0.033 0.000 0.941 537 T CB 0.220 69.111 68.868 0.037 0.000 1.026 537 T HN 0.134 nan 8.240 nan 0.000 0.533 538 T N 2.418 117.056 114.554 0.139 0.000 2.758 538 T HA 0.377 4.727 4.350 -0.000 0.000 0.285 538 T C -1.238 173.656 174.700 0.323 0.000 0.981 538 T CA -0.685 61.546 62.100 0.218 0.000 0.965 538 T CB 0.752 69.723 68.868 0.171 0.000 0.927 538 T HN 0.417 nan 8.240 nan 0.000 0.448 539 W N 5.101 126.501 121.300 0.167 0.000 2.303 539 W HA 0.277 4.937 4.660 -0.000 0.000 0.318 539 W C 0.871 177.448 176.519 0.096 0.000 1.362 539 W CA -1.729 55.730 57.345 0.191 0.000 1.234 539 W CB -0.043 29.612 29.460 0.325 0.000 1.248 539 W HN 0.755 nan 8.180 nan 0.000 0.546 540 F N 4.752 124.354 119.950 -0.580 0.000 2.147 540 F HA -0.180 4.347 4.527 -0.000 0.000 0.301 540 F C 1.992 177.234 175.800 -0.930 0.000 1.084 540 F CA 2.713 60.123 58.000 -0.983 0.000 1.268 540 F CB -0.718 37.309 39.000 -1.622 0.000 1.009 540 F HN 0.453 nan 8.300 nan 0.000 0.486 541 G N -0.422 107.523 108.800 -1.424 0.000 2.450 541 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.220 541 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.220 541 G C 1.238 175.898 174.900 -0.399 0.000 1.130 541 G CA 1.054 45.510 45.100 -1.073 0.000 0.760 541 G HN 0.372 nan 8.290 nan 0.000 0.557 542 D N 0.099 120.440 120.400 -0.098 0.000 2.348 542 D HA -0.024 4.616 4.640 -0.000 0.000 0.216 542 D C 2.163 178.401 176.300 -0.102 0.000 0.970 542 D CA 0.596 54.622 54.000 0.044 0.000 0.889 542 D CB 0.048 40.971 40.800 0.205 0.000 0.912 542 D HN 0.679 nan 8.370 nan 0.000 0.524 543 I N -4.295 116.101 120.570 -0.290 0.000 4.240 543 I HA 0.415 4.585 4.170 -0.000 0.000 0.331 543 I C 1.214 177.085 176.117 -0.411 0.000 1.381 543 I CA -0.299 60.839 61.300 -0.271 0.000 1.136 543 I CB 0.643 38.524 38.000 -0.197 0.000 1.137 543 I HN -0.209 nan 8.210 nan 0.000 0.411 544 A N 1.407 123.859 122.820 -0.613 0.000 2.370 544 A HA 0.177 4.497 4.320 -0.000 0.000 0.238 544 A C 0.990 178.383 177.584 -0.319 0.000 1.289 544 A CA -0.064 51.591 52.037 -0.637 0.000 0.885 544 A CB -0.593 17.781 19.000 -1.042 0.000 0.961 544 A HN 0.547 nan 8.150 nan 0.000 0.499 545 N N -0.709 117.861 118.700 -0.217 0.000 2.727 545 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 545 N C 0.803 176.256 175.510 -0.094 0.000 1.048 545 N CA 1.744 54.720 53.050 -0.123 0.000 0.714 545 N CB -1.693 36.732 38.487 -0.103 0.000 0.959 545 N HN 1.514 nan 8.380 nan 0.000 0.544 546 G N -1.883 106.863 108.800 -0.090 0.000 2.179 546 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.257 546 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.257 546 G C 1.028 175.911 174.900 -0.030 0.000 1.010 546 G CA 1.051 46.130 45.100 -0.034 0.000 0.736 546 G HN 1.263 nan 8.290 nan 0.000 0.513 547 A N -1.035 121.735 122.820 -0.083 0.000 2.123 547 A HA 0.555 4.875 4.320 -0.000 0.000 0.214 547 A C 1.324 178.923 177.584 0.025 0.000 1.152 547 A CA 1.213 53.220 52.037 -0.050 0.000 0.728 547 A CB 0.334 19.272 19.000 -0.103 0.000 0.814 547 A HN 1.027 nan 8.150 nan 0.000 0.464 548 V N 2.742 122.668 119.914 0.021 0.000 2.455 548 V HA 0.212 4.331 4.120 -0.000 0.000 0.273 548 V C -0.266 175.987 176.094 0.265 0.000 1.045 548 V CA -0.233 62.164 62.300 0.161 0.000 0.976 548 V CB 0.699 32.581 31.823 0.099 0.000 0.993 548 V HN 0.290 nan 8.190 nan 0.000 0.475 549 K N 4.493 125.079 120.400 0.311 0.000 2.221 549 K HA 0.586 4.906 4.320 -0.000 0.000 0.243 549 K C -0.403 176.389 176.600 0.319 0.000 0.968 549 K CA -0.917 55.536 56.287 0.277 0.000 0.846 549 K CB 2.152 34.777 32.500 0.209 0.000 1.141 549 K HN 0.526 nan 8.250 nan 0.000 0.434 550 R N 0.893 121.543 120.500 0.249 0.000 2.338 550 R HA 0.477 4.817 4.340 -0.000 0.000 0.317 550 R C -1.299 175.038 176.300 0.063 0.000 0.968 550 R CA -0.595 55.612 56.100 0.179 0.000 0.849 550 R CB 1.269 31.706 30.300 0.228 0.000 1.128 550 R HN 0.392 nan 8.270 nan 0.000 0.448 551 V N 5.500 125.409 119.914 -0.009 0.000 2.623 551 V HA 0.457 4.577 4.120 -0.000 0.000 0.304 551 V C -1.199 174.875 176.094 -0.034 0.000 1.054 551 V CA -0.583 61.701 62.300 -0.027 0.000 0.882 551 V CB 2.117 33.903 31.823 -0.063 0.000 1.002 551 V HN 0.525 nan 8.190 nan 0.000 0.424 552 V N 7.718 127.621 119.914 -0.018 0.000 2.481 552 V HA 0.588 4.708 4.120 -0.000 0.000 0.286 552 V C -0.312 175.784 176.094 0.003 0.000 1.042 552 V CA -0.358 61.944 62.300 0.004 0.000 0.928 552 V CB 1.484 33.314 31.823 0.012 0.000 0.986 552 V HN 0.766 nan 8.190 nan 0.000 0.462 553 I N 4.705 125.296 120.570 0.035 0.000 2.447 553 I HA 0.475 4.645 4.170 -0.000 0.000 0.287 553 I C 0.051 176.200 176.117 0.054 0.000 1.023 553 I CA -0.255 61.063 61.300 0.030 0.000 1.083 553 I CB 1.649 39.667 38.000 0.029 0.000 1.245 553 I HN 0.533 nan 8.210 nan 0.000 0.434 554 K N 3.237 123.656 120.400 0.031 0.000 2.168 554 K HA 0.467 4.787 4.320 -0.000 0.000 0.239 554 K C -0.252 176.353 176.600 0.009 0.000 0.999 554 K CA -1.075 55.230 56.287 0.030 0.000 0.900 554 K CB 1.005 33.520 32.500 0.025 0.000 1.111 554 K HN 0.481 nan 8.250 nan 0.000 0.452 555 E N 0.025 120.232 120.200 0.011 0.000 2.608 555 E HA -0.128 4.221 4.350 -0.000 0.000 0.259 555 E C 0.629 177.211 176.600 -0.029 0.000 0.951 555 E CA 1.493 57.888 56.400 -0.009 0.000 0.945 555 E CB -0.030 29.682 29.700 0.021 0.000 0.916 555 E HN 0.741 nan 8.360 nan 0.000 0.477 556 G N 3.184 111.921 108.800 -0.105 0.000 2.225 556 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.254 556 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.254 556 G C 0.063 174.946 174.900 -0.029 0.000 0.988 556 G CA 0.363 45.434 45.100 -0.048 0.000 0.625 556 G HN 0.566 nan 8.290 nan 0.000 0.527 557 Q N 0.482 120.238 119.800 -0.073 0.000 2.221 557 Q HA 0.626 4.966 4.340 -0.000 0.000 0.242 557 Q C -0.607 175.404 176.000 0.017 0.000 0.940 557 Q CA 0.081 55.885 55.803 0.002 0.000 0.896 557 Q CB 1.426 30.168 28.738 0.007 0.000 1.226 557 Q HN 0.221 nan 8.270 nan 0.000 0.463 558 T N 1.496 116.105 114.554 0.092 0.000 2.861 558 T HA 0.453 4.803 4.350 -0.000 0.000 0.287 558 T C -1.203 173.532 174.700 0.058 0.000 1.003 558 T CA -0.633 61.556 62.100 0.148 0.000 0.977 558 T CB 1.091 70.080 68.868 0.201 0.000 0.996 558 T HN 0.261 nan 8.240 nan 0.000 0.448 559 L N 3.614 124.876 121.223 0.065 0.000 2.317 559 L HA 0.667 5.007 4.340 -0.000 0.000 0.281 559 L C -1.361 175.541 176.870 0.053 0.000 1.024 559 L CA -0.659 54.141 54.840 -0.066 0.000 0.810 559 L CB 0.942 42.772 42.059 -0.380 0.000 1.240 559 L HN 0.594 nan 8.230 nan 0.000 0.427 560 L N 6.611 127.891 121.223 0.095 0.000 2.342 560 L HA 0.551 4.891 4.340 -0.000 0.000 0.276 560 L C -0.873 176.217 176.870 0.367 0.000 0.997 560 L CA -0.295 54.741 54.840 0.326 0.000 0.838 560 L CB 1.411 43.652 42.059 0.303 0.000 1.224 560 L HN 0.475 nan 8.230 nan 0.000 0.416 561 I N 4.645 125.337 120.570 0.203 0.000 2.389 561 I HA 0.441 4.610 4.170 -0.000 0.000 0.288 561 I C -2.196 173.741 176.117 -0.300 0.000 0.999 561 I CA -1.967 59.258 61.300 -0.125 0.000 1.129 561 I CB 2.022 39.877 38.000 -0.241 0.000 1.288 561 I HN 0.312 nan 8.210 nan 0.000 0.444 562 P HA 0.214 nan 4.420 nan 0.000 0.279 562 P C -0.536 176.666 177.300 -0.164 0.000 1.282 562 P CA -0.536 62.049 63.100 -0.858 0.000 0.788 562 P CB 0.496 31.600 31.700 -0.993 0.000 1.139 563 A N -0.332 122.431 122.820 -0.096 0.000 2.498 563 A HA 0.426 4.746 4.320 -0.000 0.000 0.239 563 A C 1.413 179.075 177.584 0.129 0.000 1.068 563 A CA 0.875 52.928 52.037 0.027 0.000 0.766 563 A CB -1.682 17.309 19.000 -0.015 0.000 1.003 563 A HN 0.869 nan 8.150 nan 0.000 0.497 564 G N 0.628 109.532 108.800 0.172 0.000 2.217 564 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.246 564 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.246 564 G C 0.018 175.009 174.900 0.152 0.000 0.990 564 G CA 0.163 45.404 45.100 0.236 0.000 0.627 564 G HN 0.809 nan 8.290 nan 0.000 0.522 565 W N 1.409 122.732 121.300 0.038 0.000 2.397 565 W HA 0.564 5.224 4.660 -0.000 0.000 0.327 565 W C 1.018 177.591 176.519 0.090 0.000 1.421 565 W CA -0.263 57.094 57.345 0.020 0.000 1.288 565 W CB 0.179 29.626 29.460 -0.021 0.000 1.312 565 W HN 0.156 nan 8.180 nan 0.000 0.559 566 I N 6.624 127.265 120.570 0.117 0.000 2.416 566 I HA 0.114 4.284 4.170 -0.000 0.000 0.288 566 I C 0.462 176.690 176.117 0.185 0.000 1.051 566 I CA -0.070 61.172 61.300 -0.097 0.000 1.375 566 I CB 0.229 38.022 38.000 -0.345 0.000 1.407 566 I HN 0.375 nan 8.210 nan 0.000 0.516 567 H N 4.678 123.676 119.070 -0.121 0.000 3.038 567 H HA 0.812 5.368 4.556 -0.000 0.000 0.362 567 H C -1.666 173.398 175.328 -0.440 0.000 1.167 567 H CA -1.258 54.747 56.048 -0.071 0.000 1.197 567 H CB 1.112 30.876 29.762 0.004 0.000 1.840 567 H HN 0.593 nan 8.280 nan 0.000 0.540 568 A N 1.799 124.302 122.820 -0.529 0.000 2.330 568 A HA 0.701 5.020 4.320 -0.000 0.000 0.329 568 A C -0.590 176.801 177.584 -0.321 0.000 1.135 568 A CA -0.389 51.216 52.037 -0.720 0.000 0.817 568 A CB 1.854 20.100 19.000 -1.257 0.000 1.269 568 A HN 0.873 nan 8.150 nan 0.000 0.469 569 V N 1.983 121.651 119.914 -0.411 0.000 2.808 569 V HA 0.720 4.840 4.120 -0.000 0.000 0.308 569 V C -1.711 174.373 176.094 -0.017 0.000 1.099 569 V CA -0.669 61.434 62.300 -0.328 0.000 0.920 569 V CB 1.546 32.833 31.823 -0.893 0.000 1.014 569 V HN 1.144 nan 8.190 nan 0.000 0.425 570 L N 5.310 126.697 121.223 0.274 0.000 2.317 570 L HA 0.807 5.147 4.340 -0.000 0.000 0.281 570 L C 0.216 177.210 176.870 0.207 0.000 1.024 570 L CA 0.516 55.600 54.840 0.407 0.000 0.810 570 L CB 2.151 44.609 42.059 0.665 0.000 1.240 570 L HN 0.828 nan 8.230 nan 0.000 0.427 571 T N 6.816 121.482 114.554 0.187 0.000 3.042 571 T HA 0.326 4.676 4.350 -0.000 0.000 0.356 571 T C -2.087 172.687 174.700 0.124 0.000 1.233 571 T CA -0.796 61.385 62.100 0.135 0.000 1.038 571 T CB 0.963 69.898 68.868 0.111 0.000 1.089 571 T HN 0.509 nan 8.240 nan 0.000 0.531 572 P HA 0.040 nan 4.420 nan 0.000 0.221 572 P C 0.068 177.402 177.300 0.058 0.000 1.150 572 P CA 0.497 63.647 63.100 0.083 0.000 0.800 572 P CB 0.378 32.120 31.700 0.070 0.000 0.787 573 V N -0.421 119.531 119.914 0.063 0.000 2.925 573 V HA 0.214 4.334 4.120 -0.000 0.000 0.311 573 V C -0.570 175.563 176.094 0.066 0.000 1.104 573 V CA -1.058 61.270 62.300 0.045 0.000 0.954 573 V CB 2.032 33.882 31.823 0.045 0.000 1.022 573 V HN -0.230 nan 8.190 nan 0.000 0.427 574 D N 2.229 122.650 120.400 0.036 0.000 2.648 574 D HA 0.243 4.883 4.640 -0.000 0.000 0.229 574 D C -0.025 176.409 176.300 0.224 0.000 1.119 574 D CA 0.967 55.034 54.000 0.112 0.000 0.850 574 D CB 0.503 41.260 40.800 -0.071 0.000 1.169 574 D HN 0.557 nan 8.370 nan 0.000 0.489 575 S N 0.830 116.705 115.700 0.292 0.000 2.588 575 S HA 0.664 5.133 4.470 -0.000 0.000 0.275 575 S C -1.231 173.399 174.600 0.051 0.000 1.130 575 S CA -0.778 57.513 58.200 0.151 0.000 0.855 575 S CB 2.035 65.296 63.200 0.101 0.000 1.116 575 S HN 0.320 nan 8.310 nan 0.000 0.472 576 L N 2.543 123.768 121.223 0.003 0.000 2.439 576 L HA 0.774 5.114 4.340 -0.000 0.000 0.270 576 L C -1.664 175.151 176.870 -0.093 0.000 0.972 576 L CA -0.324 54.462 54.840 -0.090 0.000 0.836 576 L CB 1.442 43.500 42.059 -0.002 0.000 1.255 576 L HN 0.509 nan 8.230 nan 0.000 0.404 577 V N 4.942 124.701 119.914 -0.258 0.000 2.735 577 V HA 0.557 4.676 4.120 -0.000 0.000 0.310 577 V C -0.931 174.935 176.094 -0.381 0.000 1.061 577 V CA -0.499 61.637 62.300 -0.273 0.000 0.913 577 V CB 2.008 33.547 31.823 -0.473 0.000 1.005 577 V HN 0.512 nan 8.190 nan 0.000 0.428 578 F N 2.098 122.027 119.950 -0.034 0.000 2.467 578 F HA 0.852 5.379 4.527 -0.000 0.000 0.336 578 F C 0.734 176.532 175.800 -0.003 0.000 1.123 578 F CA -0.166 57.885 58.000 0.085 0.000 0.964 578 F CB 2.133 41.244 39.000 0.184 0.000 1.136 578 F HN 0.669 nan 8.300 nan 0.000 0.447 579 G N 0.536 109.352 108.800 0.026 0.000 2.921 579 G HA2 0.766 4.726 3.960 -0.000 0.000 0.291 579 G HA3 0.766 4.726 3.960 -0.000 0.000 0.291 579 G C -1.165 173.376 174.900 -0.597 0.000 1.370 579 G CA -0.728 44.128 45.100 -0.406 0.000 0.847 579 G HN 0.934 nan 8.290 nan 0.000 0.532 580 G N -0.868 107.472 108.800 -0.766 0.000 2.556 580 G HA2 0.482 4.441 3.960 -0.000 0.000 0.294 580 G HA3 0.482 4.441 3.960 -0.000 0.000 0.294 580 G C -1.985 173.053 174.900 0.230 0.000 1.516 580 G CA -0.841 44.150 45.100 -0.182 0.000 0.824 580 G HN 0.642 nan 8.290 nan 0.000 0.535 581 N N -0.732 118.244 118.700 0.461 0.000 2.370 581 N HA 0.875 5.615 4.740 -0.000 0.000 0.303 581 N C -0.764 175.154 175.510 0.679 0.000 1.103 581 N CA -0.516 52.871 53.050 0.561 0.000 0.848 581 N CB 1.942 40.828 38.487 0.664 0.000 1.235 581 N HN 0.661 nan 8.380 nan 0.000 0.496 582 F N -1.478 118.733 119.950 0.436 0.000 2.668 582 F HA 0.637 5.164 4.527 -0.000 0.000 0.309 582 F C -1.898 174.127 175.800 0.375 0.000 1.117 582 F CA -1.269 56.964 58.000 0.387 0.000 0.951 582 F CB 1.137 40.315 39.000 0.296 0.000 1.323 582 F HN 0.090 nan 8.300 nan 0.000 0.451 583 L N 2.041 123.489 121.223 0.375 0.000 2.331 583 L HA 0.720 5.060 4.340 -0.000 0.000 0.275 583 L C -0.912 176.164 176.870 0.343 0.000 1.022 583 L CA -0.837 54.100 54.840 0.161 0.000 0.812 583 L CB 2.005 44.006 42.059 -0.096 0.000 1.257 583 L HN 0.983 nan 8.230 nan 0.000 0.435 584 H N -0.088 119.064 119.070 0.136 0.000 3.012 584 H HA 0.352 4.908 4.556 -0.000 0.000 0.367 584 H C -0.130 175.247 175.328 0.082 0.000 1.211 584 H CA -1.037 55.117 56.048 0.176 0.000 1.139 584 H CB 1.066 31.072 29.762 0.406 0.000 1.838 584 H HN 0.204 nan 8.280 nan 0.000 0.550 585 L N 2.031 123.298 121.223 0.072 0.000 2.127 585 L HA -0.001 4.339 4.340 -0.000 0.000 0.211 585 L C 2.492 179.373 176.870 0.017 0.000 1.089 585 L CA 2.314 57.151 54.840 -0.006 0.000 0.757 585 L CB -1.159 40.935 42.059 0.058 0.000 0.899 585 L HN 1.090 nan 8.230 nan 0.000 0.434 586 G N -1.247 107.646 108.800 0.155 0.000 2.498 586 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 586 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 586 G C 1.156 176.071 174.900 0.026 0.000 1.119 586 G CA 0.492 45.706 45.100 0.189 0.000 0.766 586 G HN 0.395 nan 8.290 nan 0.000 0.552 587 N N -0.374 118.147 118.700 -0.298 0.000 2.338 587 N HA 0.184 4.923 4.740 -0.000 0.000 0.251 587 N C 1.317 176.722 175.510 -0.174 0.000 1.199 587 N CA -0.405 52.494 53.050 -0.251 0.000 0.879 587 N CB 0.796 39.038 38.487 -0.409 0.000 1.159 587 N HN 0.124 nan 8.380 nan 0.000 0.514 588 L N 1.283 122.427 121.223 -0.132 0.000 1.989 588 L HA -0.142 4.197 4.340 -0.000 0.000 0.211 588 L C 1.817 178.642 176.870 -0.075 0.000 1.071 588 L CA 1.974 56.754 54.840 -0.100 0.000 0.749 588 L CB -0.224 41.777 42.059 -0.097 0.000 0.890 588 L HN 0.217 nan 8.230 nan 0.000 0.431 589 E N -1.248 118.916 120.200 -0.060 0.000 2.038 589 E HA -0.332 4.018 4.350 -0.000 0.000 0.195 589 E C 2.132 178.711 176.600 -0.035 0.000 1.000 589 E CA 1.702 58.075 56.400 -0.045 0.000 0.803 589 E CB -0.462 29.225 29.700 -0.021 0.000 0.750 589 E HN 0.404 nan 8.360 nan 0.000 0.448 590 M N 1.317 120.908 119.600 -0.015 0.000 2.159 590 M HA -0.195 4.285 4.480 -0.000 0.000 0.263 590 M C 1.921 178.217 176.300 -0.006 0.000 1.063 590 M CA 1.739 57.049 55.300 0.017 0.000 1.110 590 M CB -0.058 32.563 32.600 0.036 0.000 1.374 590 M HN -0.003 nan 8.290 nan 0.000 0.411 591 Q N -1.046 118.743 119.800 -0.018 0.000 2.050 591 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 591 Q C 1.977 177.992 176.000 0.026 0.000 0.980 591 Q CA 1.792 57.611 55.803 0.026 0.000 0.840 591 Q CB -0.245 28.525 28.738 0.053 0.000 0.898 591 Q HN 0.437 nan 8.270 nan 0.000 0.424 592 M N 0.181 119.762 119.600 -0.032 0.000 2.117 592 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 592 M C 2.116 178.116 176.300 -0.500 0.000 1.065 592 M CA 1.460 56.664 55.300 -0.160 0.000 1.114 592 M CB -0.935 31.565 32.600 -0.166 0.000 1.361 592 M HN 0.069 nan 8.290 nan 0.000 0.408 593 R N 0.748 121.062 120.500 -0.309 0.000 2.096 593 R HA -0.095 4.244 4.340 -0.000 0.000 0.240 593 R C 1.989 178.104 176.300 -0.309 0.000 1.139 593 R CA 1.762 57.708 56.100 -0.257 0.000 0.952 593 R CB -1.089 29.179 30.300 -0.055 0.000 0.854 593 R HN 0.239 nan 8.270 nan 0.000 0.436 594 V N 0.204 119.966 119.914 -0.253 0.000 2.407 594 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 594 V C 1.982 177.988 176.094 -0.146 0.000 1.055 594 V CA 1.846 63.995 62.300 -0.253 0.000 1.049 594 V CB -0.820 30.944 31.823 -0.098 0.000 0.662 594 V HN 0.355 nan 8.190 nan 0.000 0.455 595 Y N 1.088 121.198 120.300 -0.316 0.000 2.181 595 Y HA -0.241 4.309 4.550 -0.000 0.000 0.288 595 Y C 2.712 178.527 175.900 -0.142 0.000 1.146 595 Y CA 1.844 59.740 58.100 -0.339 0.000 1.164 595 Y CB -0.468 37.739 38.460 -0.423 0.000 0.982 595 Y HN 0.405 nan 8.280 nan 0.000 0.515 596 H N -0.803 118.178 119.070 -0.147 0.000 2.353 596 H HA -0.136 4.420 4.556 -0.000 0.000 0.300 596 H C 2.252 177.449 175.328 -0.220 0.000 1.090 596 H CA 1.455 57.383 56.048 -0.201 0.000 1.327 596 H CB -1.018 28.685 29.762 -0.099 0.000 1.383 596 H HN 0.416 nan 8.280 nan 0.000 0.508 597 L N 1.542 122.701 121.223 -0.107 0.000 1.970 597 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 597 L C 2.065 178.862 176.870 -0.122 0.000 1.071 597 L CA 1.836 56.586 54.840 -0.149 0.000 0.751 597 L CB -0.611 41.284 42.059 -0.272 0.000 0.889 597 L HN 0.178 nan 8.230 nan 0.000 0.432 598 E N -0.406 119.727 120.200 -0.112 0.000 2.070 598 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 598 E C 1.927 178.372 176.600 -0.257 0.000 1.004 598 E CA 1.484 57.822 56.400 -0.103 0.000 0.805 598 E CB -0.311 29.361 29.700 -0.047 0.000 0.744 598 E HN 0.576 nan 8.360 nan 0.000 0.451 599 N N 0.739 119.234 118.700 -0.342 0.000 2.142 599 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 599 N C 1.738 177.111 175.510 -0.229 0.000 1.023 599 N CA 1.288 54.126 53.050 -0.353 0.000 0.852 599 N CB -0.490 37.736 38.487 -0.435 0.000 0.998 599 N HN 0.151 nan 8.380 nan 0.000 0.424 600 A N 1.388 124.102 122.820 -0.177 0.000 1.883 600 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 600 A C 2.335 179.843 177.584 -0.126 0.000 1.186 600 A CA 1.108 53.067 52.037 -0.131 0.000 0.624 600 A CB -0.769 18.170 19.000 -0.102 0.000 0.822 600 A HN 0.233 nan 8.150 nan 0.000 0.444 601 I N -1.082 119.408 120.570 -0.132 0.000 2.252 601 I HA -0.228 3.941 4.170 -0.000 0.000 0.245 601 I C 2.620 178.667 176.117 -0.116 0.000 1.102 601 I CA 1.119 62.345 61.300 -0.122 0.000 1.385 601 I CB -0.317 37.614 38.000 -0.114 0.000 1.064 601 I HN 0.266 nan 8.210 nan 0.000 0.414 602 R N 0.797 121.205 120.500 -0.155 0.000 2.237 602 R HA -0.117 4.223 4.340 -0.000 0.000 0.219 602 R C 2.098 178.321 176.300 -0.127 0.000 1.080 602 R CA 0.805 56.807 56.100 -0.164 0.000 0.995 602 R CB -0.141 29.983 30.300 -0.292 0.000 0.875 602 R HN 0.422 nan 8.270 nan 0.000 0.462 603 K N 0.338 120.665 120.400 -0.122 0.000 2.062 603 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 603 K C 1.824 178.379 176.600 -0.076 0.000 1.051 603 K CA 1.211 57.440 56.287 -0.096 0.000 0.941 603 K CB 0.090 32.534 32.500 -0.093 0.000 0.719 603 K HN -0.011 nan 8.250 nan 0.000 0.440 604 E N 0.752 120.906 120.200 -0.078 0.000 2.008 604 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 604 E C 0.553 177.116 176.600 -0.062 0.000 0.986 604 E CA 0.863 57.223 56.400 -0.068 0.000 0.807 604 E CB -0.070 29.586 29.700 -0.074 0.000 0.766 604 E HN 0.280 nan 8.360 nan 0.000 0.450 605 I N -1.510 119.020 120.570 -0.067 0.000 2.566 605 I HA 0.362 4.531 4.170 -0.000 0.000 0.303 605 I C -0.604 175.490 176.117 -0.039 0.000 0.983 605 I CA -0.702 60.564 61.300 -0.056 0.000 1.235 605 I CB 1.687 39.647 38.000 -0.067 0.000 1.386 605 I HN -0.198 nan 8.210 nan 0.000 0.494 606 R N 3.962 124.447 120.500 -0.025 0.000 2.215 606 R HA 0.566 4.906 4.340 -0.000 0.000 0.336 606 R C -0.432 175.884 176.300 0.025 0.000 0.996 606 R CA -0.443 55.654 56.100 -0.005 0.000 0.847 606 R CB 1.257 31.553 30.300 -0.006 0.000 1.127 606 R HN 0.843 nan 8.270 nan 0.000 0.465 607 S N 1.678 117.425 115.700 0.078 0.000 2.759 607 S HA 0.346 4.815 4.470 -0.000 0.000 0.310 607 S C -0.753 173.981 174.600 0.223 0.000 1.123 607 S CA -0.830 57.468 58.200 0.163 0.000 0.959 607 S CB 1.167 64.539 63.200 0.285 0.000 1.172 607 S HN 0.512 nan 8.310 nan 0.000 0.539 608 E N 0.932 121.336 120.200 0.340 0.000 2.231 608 E HA 0.243 4.593 4.350 -0.000 0.000 0.277 608 E C 0.338 177.122 176.600 0.306 0.000 0.999 608 E CA -0.444 56.117 56.400 0.268 0.000 0.827 608 E CB 1.035 30.864 29.700 0.215 0.000 1.101 608 E HN 0.622 nan 8.360 nan 0.000 0.393 609 E N 2.069 122.375 120.200 0.177 0.000 2.265 609 E HA -0.228 4.121 4.350 -0.000 0.000 0.196 609 E C 1.650 178.324 176.600 0.123 0.000 0.996 609 E CA 1.025 57.541 56.400 0.194 0.000 0.832 609 E CB -0.093 29.658 29.700 0.085 0.000 0.756 609 E HN 0.437 nan 8.360 nan 0.000 0.491 610 K N 0.552 120.905 120.400 -0.077 0.000 2.362 610 K HA -0.088 4.232 4.320 -0.000 0.000 0.200 610 K C 1.210 177.639 176.600 -0.284 0.000 1.046 610 K CA 0.999 57.137 56.287 -0.248 0.000 0.952 610 K CB -0.145 32.105 32.500 -0.416 0.000 0.753 610 K HN 0.078 nan 8.250 nan 0.000 0.466 611 F N 0.300 120.242 119.950 -0.014 0.000 2.773 611 F HA 0.222 4.749 4.527 -0.000 0.000 0.304 611 F C 0.052 175.665 175.800 -0.311 0.000 1.129 611 F CA -0.536 57.353 58.000 -0.185 0.000 1.378 611 F CB 0.071 38.847 39.000 -0.374 0.000 1.095 611 F HN -0.120 nan 8.300 nan 0.000 0.565 612 Y N -1.697 118.807 120.300 0.339 0.000 2.587 612 Y HA 0.327 4.877 4.550 -0.000 0.000 0.337 612 Y C -0.271 175.644 175.900 0.025 0.000 1.065 612 Y CA -2.110 56.169 58.100 0.299 0.000 1.126 612 Y CB 0.742 39.313 38.460 0.185 0.000 1.279 612 Y HN -0.227 nan 8.280 nan 0.000 0.489 613 F N 4.870 124.795 119.950 -0.042 0.000 2.557 613 F HA 0.201 4.728 4.527 -0.000 0.000 0.384 613 F C -2.050 173.658 175.800 -0.154 0.000 1.057 613 F CA -1.839 55.899 58.000 -0.436 0.000 1.169 613 F CB 0.333 39.280 39.000 -0.088 0.000 1.070 613 F HN 0.202 nan 8.300 nan 0.000 0.554 614 P HA -0.054 nan 4.420 nan 0.000 0.263 614 P C -0.550 176.789 177.300 0.066 0.000 1.195 614 P CA 0.450 63.433 63.100 -0.195 0.000 0.762 614 P CB 0.295 31.771 31.700 -0.374 0.000 0.799 615 N N 1.248 120.025 118.700 0.129 0.000 2.727 615 N HA -0.241 4.499 4.740 -0.000 0.000 0.249 615 N C 0.493 176.182 175.510 0.298 0.000 1.048 615 N CA 0.414 53.575 53.050 0.184 0.000 0.714 615 N CB -1.626 36.941 38.487 0.134 0.000 0.959 615 N HN 0.426 nan 8.380 nan 0.000 0.544 616 F N 1.130 121.193 119.950 0.189 0.000 2.043 616 F HA -0.222 4.305 4.527 -0.000 0.000 0.297 616 F C 2.151 178.017 175.800 0.109 0.000 1.121 616 F CA 2.084 60.148 58.000 0.107 0.000 1.199 616 F CB 0.075 38.999 39.000 -0.127 0.000 0.968 616 F HN 0.213 nan 8.300 nan 0.000 0.478 617 E N 0.039 120.289 120.200 0.085 0.000 2.051 617 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 617 E C 2.139 178.948 176.600 0.348 0.000 0.991 617 E CA 1.413 57.780 56.400 -0.055 0.000 0.799 617 E CB -0.650 28.855 29.700 -0.324 0.000 0.748 617 E HN 0.410 nan 8.360 nan 0.000 0.449 618 L N 1.677 123.104 121.223 0.340 0.000 2.043 618 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 618 L C 2.306 179.379 176.870 0.338 0.000 1.075 618 L CA 1.428 56.499 54.840 0.385 0.000 0.752 618 L CB -0.495 41.720 42.059 0.259 0.000 0.891 618 L HN 0.167 nan 8.230 nan 0.000 0.432 619 L N -1.396 119.974 121.223 0.245 0.000 2.043 619 L HA -0.307 4.032 4.340 -0.000 0.000 0.212 619 L C 2.359 179.232 176.870 0.005 0.000 1.075 619 L CA 1.817 56.749 54.840 0.153 0.000 0.752 619 L CB -0.387 41.691 42.059 0.032 0.000 0.891 619 L HN 0.436 nan 8.230 nan 0.000 0.432 620 H N -2.051 117.027 119.070 0.013 0.000 2.395 620 H HA -0.121 4.434 4.556 -0.000 0.000 0.299 620 H C 1.720 177.044 175.328 -0.006 0.000 1.070 620 H CA 2.278 58.291 56.048 -0.058 0.000 1.356 620 H CB -0.313 29.351 29.762 -0.164 0.000 1.401 620 H HN 0.423 nan 8.280 nan 0.000 0.524 621 W N 0.216 121.670 121.300 0.257 0.000 2.338 621 W HA -0.218 4.442 4.660 -0.000 0.000 0.304 621 W C 2.028 178.599 176.519 0.087 0.000 1.212 621 W CA 0.711 58.156 57.345 0.168 0.000 1.264 621 W CB -0.072 29.485 29.460 0.160 0.000 1.142 621 W HN 0.174 nan 8.180 nan 0.000 0.512 622 M N -1.786 117.979 119.600 0.275 0.000 2.200 622 M HA -0.156 4.324 4.480 -0.000 0.000 0.265 622 M C 1.828 178.148 176.300 0.033 0.000 1.066 622 M CA 1.329 56.687 55.300 0.097 0.000 1.127 622 M CB -1.795 30.795 32.600 -0.016 0.000 1.379 622 M HN 0.129 nan 8.290 nan 0.000 0.420 623 Y N 0.747 121.019 120.300 -0.048 0.000 2.200 623 Y HA -0.267 4.283 4.550 -0.000 0.000 0.290 623 Y C 2.645 178.517 175.900 -0.047 0.000 1.137 623 Y CA 1.911 59.966 58.100 -0.076 0.000 1.163 623 Y CB -0.146 38.236 38.460 -0.130 0.000 0.988 623 Y HN 0.130 nan 8.280 nan 0.000 0.518 624 M N 0.309 119.985 119.600 0.127 0.000 2.067 624 M HA -0.189 4.290 4.480 -0.000 0.000 0.260 624 M C 2.337 178.650 176.300 0.022 0.000 1.069 624 M CA 1.783 57.115 55.300 0.055 0.000 1.117 624 M CB -0.608 31.994 32.600 0.003 0.000 1.334 624 M HN 0.123 nan 8.290 nan 0.000 0.407 625 R N -0.329 120.205 120.500 0.057 0.000 2.070 625 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 625 R C 1.572 177.848 176.300 -0.040 0.000 1.138 625 R CA 2.015 58.137 56.100 0.037 0.000 0.936 625 R CB -0.509 29.835 30.300 0.073 0.000 0.839 625 R HN 0.436 nan 8.270 nan 0.000 0.429 626 N N -0.503 118.138 118.700 -0.099 0.000 2.416 626 N HA -0.037 4.703 4.740 -0.000 0.000 0.177 626 N C 1.396 176.779 175.510 -0.212 0.000 1.036 626 N CA 0.695 53.653 53.050 -0.154 0.000 0.901 626 N CB 0.373 38.743 38.487 -0.196 0.000 0.976 626 N HN 0.072 nan 8.380 nan 0.000 0.444 627 V N -0.440 119.292 119.914 -0.302 0.000 3.240 627 V HA 0.095 4.215 4.120 -0.000 0.000 0.218 627 V C 1.831 177.806 176.094 -0.199 0.000 1.190 627 V CA 0.049 62.125 62.300 -0.374 0.000 1.280 627 V CB -0.450 30.828 31.823 -0.907 0.000 1.244 627 V HN -0.031 nan 8.190 nan 0.000 0.512 628 L N 0.178 121.309 121.223 -0.153 0.000 2.012 628 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 628 L C 2.289 179.163 176.870 0.006 0.000 1.073 628 L CA 1.696 56.529 54.840 -0.012 0.000 0.748 628 L CB -1.124 40.967 42.059 0.054 0.000 0.891 628 L HN 0.251 nan 8.230 nan 0.000 0.431 629 L N -0.539 120.680 121.223 -0.006 0.000 1.990 629 L HA -0.305 4.035 4.340 -0.000 0.000 0.213 629 L C 2.657 179.533 176.870 0.011 0.000 1.072 629 L CA 1.902 56.751 54.840 0.014 0.000 0.755 629 L CB -0.261 41.806 42.059 0.013 0.000 0.889 629 L HN 0.468 nan 8.230 nan 0.000 0.432 630 E N -0.047 120.144 120.200 -0.015 0.000 2.058 630 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 630 E C 2.152 178.752 176.600 -0.001 0.000 0.997 630 E CA 1.451 57.842 56.400 -0.016 0.000 0.801 630 E CB 0.038 29.714 29.700 -0.040 0.000 0.746 630 E HN 0.441 nan 8.360 nan 0.000 0.450 631 K N 0.108 120.509 120.400 0.003 0.000 2.057 631 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 631 K C 2.261 178.891 176.600 0.049 0.000 1.049 631 K CA 1.504 57.806 56.287 0.024 0.000 0.931 631 K CB -0.138 32.383 32.500 0.035 0.000 0.714 631 K HN 0.258 nan 8.250 nan 0.000 0.440 632 I N 0.626 121.241 120.570 0.074 0.000 2.252 632 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 632 I C 2.223 178.376 176.117 0.060 0.000 1.102 632 I CA 1.164 62.527 61.300 0.104 0.000 1.385 632 I CB -0.477 37.620 38.000 0.162 0.000 1.064 632 I HN 0.144 nan 8.210 nan 0.000 0.414 633 T N 0.316 114.897 114.554 0.044 0.000 2.684 633 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 633 T C 1.769 176.478 174.700 0.014 0.000 1.036 633 T CA 1.567 63.683 62.100 0.027 0.000 1.148 633 T CB -0.276 68.603 68.868 0.018 0.000 0.863 633 T HN 0.410 nan 8.240 nan 0.000 0.436 634 E N 0.885 121.092 120.200 0.011 0.000 2.051 634 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 634 E C 2.613 179.212 176.600 -0.001 0.000 0.991 634 E CA 0.996 57.398 56.400 0.003 0.000 0.799 634 E CB -0.257 29.444 29.700 0.001 0.000 0.748 634 E HN 0.471 nan 8.360 nan 0.000 0.449 635 A N 1.903 124.724 122.820 0.001 0.000 1.883 635 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 635 A C 1.897 179.466 177.584 -0.024 0.000 1.186 635 A CA 1.755 53.783 52.037 -0.015 0.000 0.624 635 A CB -0.630 18.359 19.000 -0.019 0.000 0.822 635 A HN 0.148 nan 8.150 nan 0.000 0.444 636 N N -0.167 118.523 118.700 -0.016 0.000 2.104 636 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 636 N C 1.819 177.319 175.510 -0.016 0.000 1.024 636 N CA 1.730 54.769 53.050 -0.019 0.000 0.853 636 N CB -0.492 37.995 38.487 -0.001 0.000 1.008 636 N HN 0.690 nan 8.380 nan 0.000 0.424 637 Q N 0.059 119.853 119.800 -0.009 0.000 2.291 637 Q HA -0.060 4.280 4.340 -0.000 0.000 0.205 637 Q C 0.778 176.771 176.000 -0.012 0.000 0.970 637 Q CA 0.767 56.565 55.803 -0.008 0.000 0.876 637 Q CB 0.212 28.947 28.738 -0.005 0.000 0.935 637 Q HN 0.580 nan 8.270 nan 0.000 0.455 638 E N -1.230 118.961 120.200 -0.016 0.000 2.950 638 E HA 0.293 4.643 4.350 -0.000 0.000 0.234 638 E C 1.122 177.707 176.600 -0.026 0.000 0.936 638 E CA -0.055 56.334 56.400 -0.018 0.000 1.114 638 E CB -0.431 29.259 29.700 -0.017 0.000 1.555 638 E HN 0.022 nan 8.360 nan 0.000 0.488 639 G N 0.960 109.743 108.800 -0.028 0.000 4.004 639 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.252 639 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.252 639 G C 0.260 175.132 174.900 -0.046 0.000 0.862 639 G CA 1.752 46.830 45.100 -0.036 0.000 0.721 639 G HN 0.625 nan 8.290 nan 0.000 1.453 640 S N -0.803 114.858 115.700 -0.064 0.000 2.550 640 S HA 0.306 4.776 4.470 -0.000 0.000 0.274 640 S C -1.758 172.779 174.600 -0.105 0.000 1.110 640 S CA -0.312 57.847 58.200 -0.067 0.000 1.013 640 S CB 1.234 64.404 63.200 -0.050 0.000 1.152 640 S HN 0.578 nan 8.310 nan 0.000 0.450 641 D N 4.954 125.286 120.400 -0.114 0.000 2.352 641 D HA 0.208 4.848 4.640 -0.000 0.000 0.245 641 D C 1.501 177.701 176.300 -0.167 0.000 1.224 641 D CA -0.182 53.715 54.000 -0.170 0.000 0.879 641 D CB 0.662 41.377 40.800 -0.143 0.000 1.057 641 D HN 0.653 nan 8.370 nan 0.000 0.491 642 M N 2.837 122.296 119.600 -0.235 0.000 2.346 642 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 642 M C 1.701 177.945 176.300 -0.094 0.000 1.064 642 M CA 1.043 56.257 55.300 -0.144 0.000 1.083 642 M CB -0.028 32.497 32.600 -0.124 0.000 1.399 642 M HN 0.239 nan 8.290 nan 0.000 0.435 643 R N 0.304 120.710 120.500 -0.156 0.000 2.249 643 R HA -0.114 4.226 4.340 -0.000 0.000 0.230 643 R C 1.964 178.250 176.300 -0.024 0.000 1.121 643 R CA 0.824 56.886 56.100 -0.064 0.000 0.997 643 R CB -0.231 30.019 30.300 -0.084 0.000 0.867 643 R HN 0.424 nan 8.270 nan 0.000 0.465 644 E N 0.533 120.710 120.200 -0.038 0.000 2.011 644 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 644 E C 1.313 177.911 176.600 -0.003 0.000 0.980 644 E CA 1.008 57.396 56.400 -0.021 0.000 0.814 644 E CB -0.053 29.630 29.700 -0.029 0.000 0.775 644 E HN 0.258 nan 8.360 nan 0.000 0.454 645 Q N 0.025 119.824 119.800 -0.001 0.000 2.188 645 Q HA 0.186 4.526 4.340 -0.000 0.000 0.212 645 Q C -0.180 175.837 176.000 0.029 0.000 0.846 645 Q CA 0.111 55.921 55.803 0.012 0.000 0.989 645 Q CB 1.056 29.798 28.738 0.007 0.000 1.114 645 Q HN 0.326 nan 8.270 nan 0.000 0.488 646 E N -0.392 119.832 120.200 0.040 0.000 3.632 646 E HA 0.006 4.356 4.350 -0.000 0.000 0.149 646 E C 0.584 177.257 176.600 0.121 0.000 0.970 646 E CA 0.052 56.497 56.400 0.076 0.000 1.498 646 E CB 0.589 30.334 29.700 0.075 0.000 1.095 646 E HN -0.044 nan 8.360 nan 0.000 0.399 647 K N 1.526 121.990 120.400 0.107 0.000 2.063 647 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 647 K C 1.477 178.191 176.600 0.190 0.000 1.048 647 K CA 2.575 58.956 56.287 0.157 0.000 0.928 647 K CB -0.107 32.457 32.500 0.108 0.000 0.713 647 K HN 0.353 nan 8.250 nan 0.000 0.442 648 N N 0.119 118.899 118.700 0.133 0.000 2.069 648 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 648 N C 1.569 177.155 175.510 0.127 0.000 1.031 648 N CA 1.487 54.607 53.050 0.117 0.000 0.852 648 N CB -0.314 38.234 38.487 0.101 0.000 1.018 648 N HN 0.041 nan 8.380 nan 0.000 0.423 649 I N 0.331 120.991 120.570 0.150 0.000 2.226 649 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 649 I C 2.289 178.516 176.117 0.184 0.000 1.100 649 I CA 1.180 62.574 61.300 0.157 0.000 1.374 649 I CB -1.560 36.534 38.000 0.155 0.000 1.057 649 I HN 0.524 nan 8.210 nan 0.000 0.413 650 W N 2.630 123.947 121.300 0.028 0.000 2.332 650 W HA -0.310 4.349 4.660 -0.000 0.000 0.321 650 W C 2.640 179.166 176.519 0.012 0.000 1.219 650 W CA 2.757 60.112 57.345 0.017 0.000 1.277 650 W CB -0.340 29.128 29.460 0.012 0.000 1.161 650 W HN 0.305 nan 8.180 nan 0.000 0.476 651 T N -0.493 114.012 114.554 -0.083 0.000 2.788 651 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 651 T C 1.998 176.576 174.700 -0.204 0.000 1.044 651 T CA 1.786 63.759 62.100 -0.213 0.000 1.139 651 T CB -0.957 67.897 68.868 -0.024 0.000 0.867 651 T HN 0.172 nan 8.240 nan 0.000 0.454 652 A N 1.822 124.579 122.820 -0.105 0.000 1.902 652 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 652 A C 2.723 180.217 177.584 -0.151 0.000 1.181 652 A CA 1.890 53.870 52.037 -0.094 0.000 0.623 652 A CB -1.144 17.846 19.000 -0.018 0.000 0.818 652 A HN 0.533 nan 8.150 nan 0.000 0.443 653 S N 0.010 115.606 115.700 -0.173 0.000 2.365 653 S HA -0.279 4.191 4.470 -0.000 0.000 0.225 653 S C 2.117 176.528 174.600 -0.314 0.000 1.039 653 S CA 1.849 59.924 58.200 -0.208 0.000 1.033 653 S CB -0.450 62.633 63.200 -0.194 0.000 0.887 653 S HN 0.729 nan 8.310 nan 0.000 0.447 654 Q N 0.398 119.914 119.800 -0.475 0.000 2.050 654 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 654 Q C 2.237 178.066 176.000 -0.285 0.000 0.980 654 Q CA 1.379 56.924 55.803 -0.429 0.000 0.840 654 Q CB -0.409 28.016 28.738 -0.523 0.000 0.898 654 Q HN 0.514 nan 8.270 nan 0.000 0.424 655 I N 0.299 120.720 120.570 -0.248 0.000 2.179 655 I HA -0.312 3.858 4.170 -0.000 0.000 0.242 655 I C 2.573 178.550 176.117 -0.234 0.000 1.088 655 I CA 1.163 62.345 61.300 -0.196 0.000 1.357 655 I CB -0.216 37.693 38.000 -0.151 0.000 1.051 655 I HN 0.313 nan 8.210 nan 0.000 0.409 656 M N 0.676 120.131 119.600 -0.242 0.000 2.117 656 M HA -0.261 4.219 4.480 -0.000 0.000 0.262 656 M C 2.435 178.501 176.300 -0.391 0.000 1.065 656 M CA 1.800 56.915 55.300 -0.309 0.000 1.114 656 M CB -0.180 32.292 32.600 -0.213 0.000 1.361 656 M HN 0.079 nan 8.290 nan 0.000 0.408 657 K N 0.183 120.398 120.400 -0.308 0.000 2.009 657 K HA -0.199 4.121 4.320 -0.000 0.000 0.210 657 K C 1.768 178.186 176.600 -0.303 0.000 1.049 657 K CA 1.766 57.877 56.287 -0.293 0.000 0.929 657 K CB -0.284 32.086 32.500 -0.217 0.000 0.714 657 K HN 0.406 nan 8.250 nan 0.000 0.440 658 A N 1.119 123.783 122.820 -0.259 0.000 1.940 658 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 658 A C 1.983 179.402 177.584 -0.274 0.000 1.176 658 A CA 2.055 53.964 52.037 -0.214 0.000 0.631 658 A CB -0.596 18.307 19.000 -0.161 0.000 0.814 658 A HN 0.576 nan 8.150 nan 0.000 0.446 659 E N -0.070 119.895 120.200 -0.391 0.000 2.072 659 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 659 E C 1.926 177.933 176.600 -0.988 0.000 0.985 659 E CA 1.746 57.809 56.400 -0.562 0.000 0.801 659 E CB -0.391 28.935 29.700 -0.623 0.000 0.750 659 E HN 0.635 nan 8.360 nan 0.000 0.452 660 M N 0.246 119.235 119.600 -1.019 0.000 2.296 660 M HA -0.072 4.408 4.480 -0.000 0.000 0.265 660 M C 1.859 177.953 176.300 -0.343 0.000 1.064 660 M CA 1.059 55.784 55.300 -0.959 0.000 1.109 660 M CB -0.075 31.934 32.600 -0.985 0.000 1.396 660 M HN 0.023 nan 8.290 nan 0.000 0.430 661 E N 0.725 120.775 120.200 -0.251 0.000 2.110 661 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 661 E C 2.034 178.627 176.600 -0.012 0.000 0.988 661 E CA 1.210 57.566 56.400 -0.073 0.000 0.804 661 E CB -0.235 29.419 29.700 -0.076 0.000 0.745 661 E HN 0.578 nan 8.360 nan 0.000 0.458 662 R N -0.209 120.250 120.500 -0.069 0.000 2.075 662 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 662 R C 2.310 178.752 176.300 0.237 0.000 1.126 662 R CA 1.271 57.398 56.100 0.045 0.000 0.963 662 R CB -0.238 30.072 30.300 0.017 0.000 0.858 662 R HN 0.227 nan 8.270 nan 0.000 0.435 663 W N 0.674 122.031 121.300 0.095 0.000 2.358 663 W HA -0.065 4.595 4.660 -0.000 0.000 0.303 663 W C 2.109 178.743 176.519 0.192 0.000 1.208 663 W CA 0.376 57.820 57.345 0.164 0.000 1.274 663 W CB -0.833 28.764 29.460 0.227 0.000 1.138 663 W HN 0.052 nan 8.180 nan 0.000 0.515 664 M N 0.251 120.116 119.600 0.441 0.000 2.065 664 M HA -0.194 4.285 4.480 -0.000 0.000 0.259 664 M C 1.921 178.344 176.300 0.204 0.000 1.069 664 M CA 2.061 57.562 55.300 0.334 0.000 1.110 664 M CB -1.705 31.075 32.600 0.300 0.000 1.328 664 M HN 0.085 nan 8.290 nan 0.000 0.405 665 D N 0.034 120.530 120.400 0.160 0.000 2.149 665 D HA -0.236 4.404 4.640 -0.000 0.000 0.198 665 D C 2.035 178.396 176.300 0.102 0.000 0.990 665 D CA 1.281 55.345 54.000 0.105 0.000 0.839 665 D CB -0.111 40.734 40.800 0.076 0.000 0.948 665 D HN 0.367 nan 8.370 nan 0.000 0.460 666 R N 0.721 121.302 120.500 0.135 0.000 2.075 666 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 666 R C 2.306 178.662 176.300 0.093 0.000 1.126 666 R CA 1.519 57.684 56.100 0.107 0.000 0.963 666 R CB -0.270 30.108 30.300 0.131 0.000 0.858 666 R HN 0.169 nan 8.270 nan 0.000 0.435 667 E N 0.415 120.690 120.200 0.125 0.000 2.150 667 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 667 E C 2.004 178.642 176.600 0.063 0.000 0.985 667 E CA 0.999 57.455 56.400 0.093 0.000 0.814 667 E CB -0.002 29.768 29.700 0.118 0.000 0.752 667 E HN 0.417 nan 8.360 nan 0.000 0.466 668 L N -0.037 121.227 121.223 0.069 0.000 2.095 668 L HA -0.027 4.312 4.340 -0.000 0.000 0.204 668 L C 2.672 179.564 176.870 0.037 0.000 1.080 668 L CA 0.803 55.672 54.840 0.048 0.000 0.759 668 L CB -0.295 41.795 42.059 0.052 0.000 0.914 668 L HN 0.038 nan 8.230 nan 0.000 0.439 669 R N 0.548 121.072 120.500 0.040 0.000 2.120 669 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 669 R C 1.171 177.483 176.300 0.020 0.000 1.123 669 R CA 1.442 57.559 56.100 0.027 0.000 0.975 669 R CB -0.144 30.173 30.300 0.027 0.000 0.866 669 R HN 0.366 nan 8.270 nan 0.000 0.446 670 L N -4.679 116.558 121.223 0.023 0.000 3.429 670 L HA 0.527 4.867 4.340 -0.000 0.000 0.311 670 L C 0.165 177.043 176.870 0.014 0.000 1.274 670 L CA 0.025 54.873 54.840 0.014 0.000 1.037 670 L CB 1.058 43.123 42.059 0.009 0.000 1.433 670 L HN 0.122 nan 8.230 nan 0.000 0.614 671 G N 0.126 108.937 108.800 0.019 0.000 2.758 671 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.686 671 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.686 671 G C -2.860 172.049 174.900 0.016 0.000 1.389 671 G CA -0.479 44.629 45.100 0.014 0.000 0.845 671 G HN 0.234 nan 8.290 nan 0.000 0.572 672 P HA 0.345 nan 4.420 nan 0.000 0.273 672 P C 0.540 177.842 177.300 0.004 0.000 1.250 672 P CA -0.149 62.955 63.100 0.006 0.000 0.793 672 P CB 0.523 32.219 31.700 -0.006 0.000 1.011 673 E N 0.416 120.618 120.200 0.003 0.000 4.213 673 E HA 0.132 4.482 4.350 -0.000 0.000 0.562 673 E C 0.499 177.100 176.600 0.000 0.000 0.538 673 E CA 0.006 56.406 56.400 0.000 0.000 3.571 673 E CB -0.406 29.294 29.700 0.000 0.000 2.299 673 E HN 0.229 nan 8.360 nan 0.000 0.416 674 K N 1.508 121.908 120.400 0.001 0.000 2.284 674 K HA 0.114 4.434 4.320 -0.000 0.000 0.243 674 K C 0.157 176.758 176.600 0.002 0.000 1.075 674 K CA -0.254 56.035 56.287 0.002 0.000 0.868 674 K CB -0.453 32.050 32.500 0.004 0.000 1.157 674 K HN 0.517 nan 8.250 nan 0.000 0.512 675 N N 0.268 118.970 118.700 0.003 0.000 2.441 675 N HA 0.218 4.957 4.740 -0.000 0.000 0.251 675 N C 0.194 175.706 175.510 0.003 0.000 1.242 675 N CA 0.457 53.508 53.050 0.002 0.000 0.898 675 N CB -0.270 38.220 38.487 0.005 0.000 1.100 675 N HN 0.683 nan 8.380 nan 0.000 0.443 676 A N 0.341 123.160 122.820 -0.001 0.000 6.848 676 A HA -0.208 4.112 4.320 -0.000 0.000 0.247 676 A C 0.536 178.119 177.584 -0.002 0.000 2.199 676 A CA 0.798 52.836 52.037 0.000 0.000 0.681 676 A CB -1.531 17.475 19.000 0.011 0.000 1.069 676 A HN 0.769 nan 8.150 nan 0.000 0.381 677 I N -1.133 119.437 120.570 0.000 0.000 3.790 677 I HA 0.217 4.387 4.170 -0.000 0.000 0.305 677 I C 0.592 176.696 176.117 -0.021 0.000 1.253 677 I CA 0.361 61.664 61.300 0.006 0.000 1.355 677 I CB 0.187 38.208 38.000 0.035 0.000 1.137 677 I HN 0.435 nan 8.210 nan 0.000 0.435 678 L N 3.274 124.461 121.223 -0.059 0.000 2.280 678 L HA 0.410 4.749 4.340 -0.000 0.000 0.287 678 L C -2.282 174.500 176.870 -0.147 0.000 1.023 678 L CA -1.752 53.012 54.840 -0.127 0.000 0.819 678 L CB 1.401 43.316 42.059 -0.239 0.000 1.212 678 L HN -0.183 nan 8.230 nan 0.000 0.420 679 P HA 0.073 nan 4.420 nan 0.000 0.269 679 P C 0.709 177.924 177.300 -0.142 0.000 1.209 679 P CA -0.161 62.880 63.100 -0.098 0.000 0.776 679 P CB 0.672 32.331 31.700 -0.069 0.000 0.876 680 T N 0.006 114.495 114.554 -0.108 0.000 2.803 680 T HA -0.205 4.144 4.350 -0.000 0.000 0.269 680 T C 1.360 175.994 174.700 -0.110 0.000 1.052 680 T CA 1.994 64.027 62.100 -0.111 0.000 1.136 680 T CB -0.622 68.214 68.868 -0.053 0.000 0.864 680 T HN 0.593 nan 8.240 nan 0.000 0.467 681 D N 0.981 121.332 120.400 -0.081 0.000 2.117 681 D HA -0.107 4.533 4.640 -0.000 0.000 0.198 681 D C 1.806 178.061 176.300 -0.076 0.000 0.982 681 D CA 0.928 54.893 54.000 -0.059 0.000 0.828 681 D CB -0.160 40.617 40.800 -0.039 0.000 0.967 681 D HN 0.186 nan 8.370 nan 0.000 0.464 682 D N 0.099 120.437 120.400 -0.105 0.000 2.144 682 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 682 D C 1.974 178.173 176.300 -0.169 0.000 0.984 682 D CA 0.796 54.730 54.000 -0.111 0.000 0.834 682 D CB -0.082 40.649 40.800 -0.116 0.000 0.955 682 D HN 0.340 nan 8.370 nan 0.000 0.465 683 K N 0.600 120.803 120.400 -0.329 0.000 2.002 683 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 683 K C 1.983 178.501 176.600 -0.137 0.000 1.048 683 K CA 0.844 56.790 56.287 -0.568 0.000 0.930 683 K CB -0.241 31.715 32.500 -0.908 0.000 0.714 683 K HN 0.119 nan 8.250 nan 0.000 0.438 684 N N 1.019 119.679 118.700 -0.067 0.000 2.192 684 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 684 N C 1.518 177.056 175.510 0.046 0.000 1.013 684 N CA 1.163 54.231 53.050 0.029 0.000 0.863 684 N CB 0.152 38.647 38.487 0.014 0.000 0.990 684 N HN 0.177 nan 8.380 nan 0.000 0.430 685 K N 0.289 120.700 120.400 0.018 0.000 2.103 685 K HA -0.030 4.289 4.320 -0.000 0.000 0.204 685 K C 2.072 178.710 176.600 0.064 0.000 1.052 685 K CA 0.719 57.025 56.287 0.031 0.000 0.945 685 K CB 0.050 32.556 32.500 0.010 0.000 0.722 685 K HN 0.221 nan 8.250 nan 0.000 0.443 686 I N 0.899 121.526 120.570 0.095 0.000 2.179 686 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 686 I C 2.377 178.604 176.117 0.184 0.000 1.088 686 I CA 0.987 62.384 61.300 0.162 0.000 1.357 686 I CB -0.177 37.986 38.000 0.272 0.000 1.051 686 I HN 0.144 nan 8.210 nan 0.000 0.409 687 M N 0.129 119.875 119.600 0.242 0.000 2.108 687 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 687 M C 2.459 178.822 176.300 0.105 0.000 1.066 687 M CA 1.931 57.344 55.300 0.188 0.000 1.107 687 M CB -1.017 31.719 32.600 0.226 0.000 1.356 687 M HN 0.230 nan 8.290 nan 0.000 0.406 688 I N -0.760 119.864 120.570 0.089 0.000 2.163 688 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 688 I C 2.687 178.837 176.117 0.055 0.000 1.085 688 I CA 1.443 62.780 61.300 0.061 0.000 1.347 688 I CB -0.453 37.577 38.000 0.049 0.000 1.044 688 I HN 0.313 nan 8.210 nan 0.000 0.408 689 S N 0.175 115.911 115.700 0.059 0.000 2.402 689 S HA -0.107 4.362 4.470 -0.000 0.000 0.229 689 S C 2.040 176.672 174.600 0.053 0.000 1.021 689 S CA 1.082 59.313 58.200 0.051 0.000 0.974 689 S CB -0.147 63.083 63.200 0.050 0.000 0.800 689 S HN 0.225 nan 8.310 nan 0.000 0.484 690 V N 2.109 122.059 119.914 0.060 0.000 2.307 690 V HA -0.109 4.011 4.120 -0.000 0.000 0.245 690 V C 2.639 178.758 176.094 0.041 0.000 1.045 690 V CA 1.972 64.299 62.300 0.046 0.000 1.024 690 V CB -0.695 31.146 31.823 0.031 0.000 0.651 690 V HN 0.444 nan 8.190 nan 0.000 0.449 691 R N 0.185 120.708 120.500 0.039 0.000 2.091 691 R HA -0.223 4.117 4.340 -0.000 0.000 0.238 691 R C 2.401 178.730 176.300 0.048 0.000 1.136 691 R CA 1.890 58.012 56.100 0.036 0.000 0.959 691 R CB -0.410 29.910 30.300 0.033 0.000 0.856 691 R HN 0.490 nan 8.270 nan 0.000 0.437 692 K N 0.593 121.021 120.400 0.047 0.000 1.985 692 K HA -0.190 4.129 4.320 -0.000 0.000 0.210 692 K C 2.101 178.736 176.600 0.057 0.000 1.047 692 K CA 1.432 57.747 56.287 0.046 0.000 0.932 692 K CB 0.115 32.638 32.500 0.039 0.000 0.716 692 K HN 0.040 nan 8.250 nan 0.000 0.439 693 Q N 0.517 120.356 119.800 0.064 0.000 2.167 693 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 693 Q C 2.171 178.249 176.000 0.130 0.000 0.970 693 Q CA 1.125 56.976 55.803 0.080 0.000 0.855 693 Q CB -0.101 28.683 28.738 0.076 0.000 0.911 693 Q HN 0.482 nan 8.270 nan 0.000 0.438 694 I N 0.525 121.181 120.570 0.143 0.000 2.202 694 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 694 I C 2.335 178.587 176.117 0.224 0.000 1.091 694 I CA 1.064 62.504 61.300 0.233 0.000 1.368 694 I CB -0.089 37.979 38.000 0.114 0.000 1.058 694 I HN 0.150 nan 8.210 nan 0.000 0.410 695 E N 1.556 121.833 120.200 0.127 0.000 2.110 695 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 695 E C 1.996 178.642 176.600 0.077 0.000 0.988 695 E CA 1.445 57.903 56.400 0.098 0.000 0.804 695 E CB -0.241 29.497 29.700 0.062 0.000 0.745 695 E HN 0.456 nan 8.360 nan 0.000 0.458 696 I N 0.131 120.741 120.570 0.066 0.000 2.202 696 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 696 I C 2.490 178.611 176.117 0.007 0.000 1.091 696 I CA 1.388 62.708 61.300 0.033 0.000 1.368 696 I CB -0.335 37.681 38.000 0.027 0.000 1.058 696 I HN 0.214 nan 8.210 nan 0.000 0.410 697 Q N 1.067 120.875 119.800 0.012 0.000 2.135 697 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 697 Q C 2.119 178.011 176.000 -0.180 0.000 0.981 697 Q CA 2.838 58.569 55.803 -0.118 0.000 0.856 697 Q CB -0.572 28.056 28.738 -0.184 0.000 0.902 697 Q HN 0.627 nan 8.270 nan 0.000 0.425 698 T N -1.791 112.750 114.554 -0.021 0.000 2.708 698 T HA -0.160 4.189 4.350 -0.000 0.000 0.266 698 T C 1.740 176.425 174.700 -0.026 0.000 1.037 698 T CA 1.467 63.571 62.100 0.007 0.000 1.146 698 T CB -0.302 68.646 68.868 0.133 0.000 0.865 698 T HN 0.335 nan 8.240 nan 0.000 0.435 699 K N 0.631 121.026 120.400 -0.009 0.000 2.113 699 K HA 0.010 4.329 4.320 -0.000 0.000 0.208 699 K C 2.253 178.829 176.600 -0.039 0.000 1.047 699 K CA 1.765 58.043 56.287 -0.015 0.000 0.928 699 K CB -0.442 32.055 32.500 -0.004 0.000 0.716 699 K HN 0.469 nan 8.250 nan 0.000 0.446 700 I N 0.814 121.344 120.570 -0.066 0.000 2.315 700 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 700 I C 2.210 178.266 176.117 -0.102 0.000 1.117 700 I CA 1.277 62.527 61.300 -0.084 0.000 1.404 700 I CB -0.177 37.759 38.000 -0.107 0.000 1.071 700 I HN 0.248 nan 8.210 nan 0.000 0.419 701 Q N 0.303 120.023 119.800 -0.133 0.000 2.187 701 Q HA -0.110 4.230 4.340 -0.000 0.000 0.199 701 Q C 1.819 177.778 176.000 -0.069 0.000 0.957 701 Q CA 0.966 56.690 55.803 -0.132 0.000 0.857 701 Q CB -0.027 28.595 28.738 -0.195 0.000 0.929 701 Q HN 0.475 nan 8.270 nan 0.000 0.453 702 N N 0.606 119.279 118.700 -0.045 0.000 2.270 702 N HA -0.062 4.678 4.740 -0.000 0.000 0.181 702 N C 1.441 176.937 175.510 -0.023 0.000 1.016 702 N CA 1.148 54.185 53.050 -0.022 0.000 0.870 702 N CB -0.162 38.321 38.487 -0.007 0.000 0.979 702 N HN 0.213 nan 8.380 nan 0.000 0.431 703 A N 1.443 124.245 122.820 -0.031 0.000 1.840 703 A HA -0.036 4.284 4.320 -0.000 0.000 0.214 703 A C 1.327 178.894 177.584 -0.029 0.000 1.198 703 A CA 0.843 52.864 52.037 -0.027 0.000 0.608 703 A CB -0.269 18.714 19.000 -0.029 0.000 0.839 703 A HN 0.151 nan 8.150 nan 0.000 0.443 704 K N 0.000 120.376 120.400 -0.040 0.000 2.780 704 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 704 K CA 0.000 56.264 56.287 -0.039 0.000 0.838 704 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 704 K HN 0.000 nan 8.250 nan 0.000 0.543