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 3mks_1_B DATA FIRST_RESID 270 DATA SEQUENCE LKRDLITSLP FEISLKIFNY LQFEDIINSL GVSQNWNKII RKSTSLWKKL DATA SEQUENCE LISENFVSPK GFNSLNLKLS QKYPKLSQQD RLRLSFLENI FILKNWYNPK DATA SEQUENCE FVPQRTTLRG HMTSVITCLQ FEDNYVITGA DDKMIRVYDS INKKFLLQLS DATA SEQUENCE GHDGGVWALK YAHGGILVSG STDRTVRVWD IKKGCCTHVF EGHNSTVRCL DATA SEQUENCE DIVEYKNIKY IVTGSRDNTL HVWKLPKXXX XXXXXXXXDY PLVFHTPEEN DATA SEQUENCE PYFVGVLRGH MASVRTVSGH GNIVVSGSYD NTLIVWDVAQ MKCLYILSGH DATA SEQUENCE TDRIYSTIYD HERKRCISAS MDTTIRIWDL EXXXXNGELX XXXXXXXXXX DATA SEQUENCE XXXXXMYTLQ GHTALVGLLR LSDKFLVSAA ADGSIRGWDA NDYSRKFSYH DATA SEQUENCE HTNLSAITTF YVSDNILVSG SENQFNIYNL RSGKLVHANI LKDADQIWSV DATA SEQUENCE NFKGKTLVAA VEKDGQSFLE ILDFS 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 270 L HA 0.000 nan 4.340 nan 0.000 0.249 270 L C 0.000 176.876 176.870 0.010 0.000 1.165 270 L CA 0.000 54.844 54.840 0.008 0.000 0.813 270 L CB 0.000 42.064 42.059 0.008 0.000 0.961 271 K N -0.343 120.065 120.400 0.013 0.000 2.208 271 K HA 0.748 5.068 4.320 -0.000 0.000 0.240 271 K C -0.922 175.693 176.600 0.024 0.000 1.088 271 K CA -0.704 55.593 56.287 0.017 0.000 0.902 271 K CB 2.169 34.680 32.500 0.018 0.000 1.355 271 K HN 0.304 nan 8.250 nan 0.000 0.526 272 R N 0.497 121.017 120.500 0.033 0.000 2.707 272 R HA 0.137 4.477 4.340 -0.000 0.000 0.272 272 R C -1.838 174.506 176.300 0.073 0.000 1.011 272 R CA -0.664 55.463 56.100 0.046 0.000 0.893 272 R CB 1.762 32.085 30.300 0.038 0.000 1.233 272 R HN 0.639 nan 8.270 nan 0.000 0.464 273 D N 3.582 124.038 120.400 0.093 0.000 2.483 273 D HA 0.115 4.755 4.640 -0.000 0.000 0.220 273 D C 0.729 177.118 176.300 0.148 0.000 1.173 273 D CA -0.182 53.915 54.000 0.161 0.000 0.964 273 D CB 0.737 41.640 40.800 0.173 0.000 1.046 273 D HN 0.378 nan 8.370 nan 0.000 0.517 274 L N 3.578 124.878 121.223 0.129 0.000 2.056 274 L HA -0.083 4.256 4.340 -0.000 0.000 0.207 274 L C 2.086 178.959 176.870 0.006 0.000 1.078 274 L CA 0.780 55.650 54.840 0.050 0.000 0.749 274 L CB -0.449 41.620 42.059 0.017 0.000 0.901 274 L HN 0.445 nan 8.230 nan 0.000 0.433 275 I N -0.624 119.940 120.570 -0.010 0.000 2.145 275 I HA -0.353 3.817 4.170 -0.000 0.000 0.244 275 I C 2.353 178.446 176.117 -0.040 0.000 1.075 275 I CA 1.867 63.062 61.300 -0.174 0.000 1.332 275 I CB -0.829 36.873 38.000 -0.498 0.000 1.033 275 I HN 0.257 nan 8.210 nan 0.000 0.410 276 T N -1.220 113.392 114.554 0.097 0.000 2.942 276 T HA -0.037 4.313 4.350 -0.000 0.000 0.265 276 T C 2.093 176.842 174.700 0.083 0.000 1.062 276 T CA 1.345 63.518 62.100 0.122 0.000 1.139 276 T CB -0.055 68.924 68.868 0.186 0.000 0.883 276 T HN 0.221 nan 8.240 nan 0.000 0.468 277 S N 0.552 116.291 115.700 0.065 0.000 2.395 277 S HA 0.177 4.646 4.470 -0.000 0.000 0.225 277 S C 0.631 175.249 174.600 0.031 0.000 1.027 277 S CA 0.211 58.440 58.200 0.048 0.000 0.965 277 S CB -0.114 63.112 63.200 0.044 0.000 0.812 277 S HN 0.166 nan 8.310 nan 0.000 0.482 278 L N 2.670 123.899 121.223 0.009 0.000 2.439 278 L HA 0.315 4.655 4.340 -0.000 0.000 0.269 278 L C -2.203 174.674 176.870 0.011 0.000 1.179 278 L CA -2.244 52.591 54.840 -0.008 0.000 0.828 278 L CB -0.777 41.251 42.059 -0.051 0.000 1.106 278 L HN -0.004 nan 8.230 nan 0.000 0.467 279 P HA -0.108 nan 4.420 nan 0.000 0.266 279 P C 0.827 178.167 177.300 0.067 0.000 1.186 279 P CA 0.119 63.252 63.100 0.056 0.000 0.767 279 P CB 0.311 32.033 31.700 0.037 0.000 0.820 280 F N 3.404 123.346 119.950 -0.014 0.000 2.063 280 F HA -0.296 4.231 4.527 -0.000 0.000 0.298 280 F C 1.977 177.763 175.800 -0.023 0.000 1.109 280 F CA 1.952 59.944 58.000 -0.012 0.000 1.212 280 F CB -0.354 38.645 39.000 -0.001 0.000 0.973 280 F HN 0.320 nan 8.300 nan 0.000 0.480 281 E N 0.228 120.393 120.200 -0.059 0.000 2.130 281 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 281 E C 2.219 178.697 176.600 -0.204 0.000 0.998 281 E CA 1.583 57.896 56.400 -0.144 0.000 0.806 281 E CB -0.522 29.174 29.700 -0.006 0.000 0.738 281 E HN 0.417 nan 8.360 nan 0.000 0.459 282 I N 0.638 121.116 120.570 -0.153 0.000 2.277 282 I HA -0.128 4.042 4.170 -0.000 0.000 0.243 282 I C 2.283 178.267 176.117 -0.221 0.000 1.094 282 I CA 0.878 62.088 61.300 -0.150 0.000 1.393 282 I CB -1.000 36.942 38.000 -0.097 0.000 1.078 282 I HN -0.118 nan 8.210 nan 0.000 0.417 283 S N 0.713 116.258 115.700 -0.257 0.000 2.399 283 S HA -0.098 4.372 4.470 -0.000 0.000 0.231 283 S C 2.022 176.396 174.600 -0.377 0.000 1.022 283 S CA 0.771 58.759 58.200 -0.353 0.000 0.983 283 S CB -0.354 62.668 63.200 -0.297 0.000 0.803 283 S HN 0.308 nan 8.310 nan 0.000 0.480 284 L N 2.137 123.125 121.223 -0.391 0.000 1.989 284 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 284 L C 2.506 179.210 176.870 -0.276 0.000 1.071 284 L CA 1.908 56.540 54.840 -0.347 0.000 0.749 284 L CB -0.907 40.824 42.059 -0.548 0.000 0.890 284 L HN 0.374 nan 8.230 nan 0.000 0.431 285 K N 0.053 120.275 120.400 -0.297 0.000 2.152 285 K HA -0.204 4.115 4.320 -0.000 0.000 0.206 285 K C 2.054 178.451 176.600 -0.338 0.000 1.048 285 K CA 1.401 57.495 56.287 -0.321 0.000 0.933 285 K CB -0.154 32.205 32.500 -0.236 0.000 0.721 285 K HN 0.311 nan 8.250 nan 0.000 0.447 286 I N 0.418 120.831 120.570 -0.262 0.000 2.179 286 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 286 I C 1.872 177.836 176.117 -0.256 0.000 1.088 286 I CA 1.155 62.322 61.300 -0.221 0.000 1.357 286 I CB -0.252 37.505 38.000 -0.406 0.000 1.051 286 I HN 0.089 nan 8.210 nan 0.000 0.409 287 F N 1.182 120.991 119.950 -0.235 0.000 2.171 287 F HA -0.184 4.343 4.527 -0.000 0.000 0.300 287 F C 2.280 177.924 175.800 -0.261 0.000 1.090 287 F CA 1.131 58.981 58.000 -0.249 0.000 1.293 287 F CB -0.932 37.881 39.000 -0.313 0.000 1.013 287 F HN 0.143 nan 8.300 nan 0.000 0.486 288 N N -0.917 117.676 118.700 -0.179 0.000 2.585 288 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 288 N C 1.283 176.642 175.510 -0.252 0.000 1.102 288 N CA 0.846 53.730 53.050 -0.275 0.000 0.920 288 N CB -0.380 37.878 38.487 -0.381 0.000 0.963 288 N HN 0.316 nan 8.380 nan 0.000 0.447 289 Y N 0.457 120.708 120.300 -0.082 0.000 2.517 289 Y HA 0.240 4.790 4.550 -0.000 0.000 0.281 289 Y C 1.082 176.953 175.900 -0.049 0.000 1.125 289 Y CA -0.027 58.031 58.100 -0.071 0.000 1.283 289 Y CB 0.123 38.533 38.460 -0.084 0.000 1.042 289 Y HN -0.088 nan 8.280 nan 0.000 0.547 290 L N 0.099 121.380 121.223 0.097 0.000 2.416 290 L HA 0.272 4.611 4.340 -0.000 0.000 0.262 290 L C 0.200 177.090 176.870 0.033 0.000 1.093 290 L CA -1.024 53.858 54.840 0.070 0.000 0.801 290 L CB 0.535 42.652 42.059 0.097 0.000 1.191 290 L HN -0.122 nan 8.230 nan 0.000 0.459 291 Q N 0.528 120.337 119.800 0.015 0.000 2.306 291 Q HA 0.086 4.426 4.340 -0.000 0.000 0.241 291 Q C 0.738 176.716 176.000 -0.036 0.000 0.948 291 Q CA -0.221 55.578 55.803 -0.007 0.000 0.886 291 Q CB 0.769 29.466 28.738 -0.068 0.000 1.227 291 Q HN 0.591 nan 8.270 nan 0.000 0.457 292 F N 1.011 121.003 119.950 0.070 0.000 2.154 292 F HA -0.241 4.285 4.527 -0.000 0.000 0.301 292 F C 1.262 177.159 175.800 0.162 0.000 1.087 292 F CA 1.617 59.668 58.000 0.086 0.000 1.274 292 F CB -0.297 38.863 39.000 0.267 0.000 1.009 292 F HN 0.493 nan 8.300 nan 0.000 0.485 293 E N 0.791 120.557 120.200 -0.723 0.000 2.097 293 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 293 E C 1.840 178.416 176.600 -0.041 0.000 1.000 293 E CA 1.836 58.023 56.400 -0.356 0.000 0.804 293 E CB -0.530 28.942 29.700 -0.379 0.000 0.740 293 E HN 0.535 nan 8.360 nan 0.000 0.454 294 D N -0.327 120.056 120.400 -0.028 0.000 2.234 294 D HA -0.009 4.631 4.640 -0.000 0.000 0.205 294 D C 1.927 178.313 176.300 0.143 0.000 0.962 294 D CA 0.549 54.591 54.000 0.070 0.000 0.855 294 D CB 0.083 40.922 40.800 0.065 0.000 0.951 294 D HN 0.217 nan 8.370 nan 0.000 0.500 295 I N 0.645 121.273 120.570 0.097 0.000 2.286 295 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 295 I C 2.238 178.429 176.117 0.122 0.000 1.104 295 I CA 0.564 61.889 61.300 0.042 0.000 1.397 295 I CB -0.069 37.852 38.000 -0.131 0.000 1.072 295 I HN -0.100 nan 8.210 nan 0.000 0.417 296 I N 1.011 121.711 120.570 0.218 0.000 2.099 296 I HA -0.320 3.850 4.170 -0.000 0.000 0.239 296 I C 2.144 178.373 176.117 0.187 0.000 1.066 296 I CA 1.711 63.159 61.300 0.248 0.000 1.324 296 I CB -0.802 37.364 38.000 0.278 0.000 1.037 296 I HN 0.206 nan 8.210 nan 0.000 0.401 297 N N 0.779 119.578 118.700 0.164 0.000 2.073 297 N HA -0.234 4.506 4.740 -0.000 0.000 0.199 297 N C 1.859 177.487 175.510 0.196 0.000 1.023 297 N CA 2.167 55.306 53.050 0.148 0.000 0.880 297 N CB -0.545 38.022 38.487 0.132 0.000 1.052 297 N HN 0.268 nan 8.380 nan 0.000 0.449 298 S N 0.095 115.968 115.700 0.289 0.000 2.442 298 S HA -0.014 4.456 4.470 -0.000 0.000 0.236 298 S C 1.900 176.761 174.600 0.435 0.000 1.007 298 S CA 0.522 59.038 58.200 0.526 0.000 0.965 298 S CB -0.252 63.334 63.200 0.643 0.000 0.773 298 S HN 0.246 nan 8.310 nan 0.000 0.504 299 L N 0.940 122.304 121.223 0.234 0.000 2.131 299 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 299 L C 1.870 178.838 176.870 0.163 0.000 1.092 299 L CA 0.900 55.853 54.840 0.189 0.000 0.759 299 L CB -0.540 41.613 42.059 0.156 0.000 0.903 299 L HN 0.377 nan 8.230 nan 0.000 0.435 300 G N -1.312 107.565 108.800 0.127 0.000 3.636 300 G HA2 0.377 4.337 3.960 -0.000 0.000 0.260 300 G HA3 0.377 4.337 3.960 -0.000 0.000 0.260 300 G C 0.434 175.332 174.900 -0.003 0.000 1.014 300 G CA -0.145 44.993 45.100 0.063 0.000 1.797 300 G HN 0.095 nan 8.290 nan 0.000 0.637 301 V N -0.324 119.572 119.914 -0.030 0.000 3.161 301 V HA 0.361 4.481 4.120 -0.000 0.000 0.228 301 V C 0.740 176.705 176.094 -0.215 0.000 1.415 301 V CA 0.927 63.068 62.300 -0.266 0.000 1.285 301 V CB 0.765 32.121 31.823 -0.777 0.000 1.100 301 V HN 0.676 nan 8.190 nan 0.000 0.478 302 S N -1.673 114.013 115.700 -0.023 0.000 2.595 302 S HA 0.249 4.719 4.470 -0.000 0.000 0.270 302 S C -0.074 174.608 174.600 0.136 0.000 1.145 302 S CA -0.383 57.841 58.200 0.040 0.000 0.825 302 S CB 1.582 64.791 63.200 0.014 0.000 1.107 302 S HN -0.035 nan 8.310 nan 0.000 0.461 303 Q N 1.418 121.279 119.800 0.102 0.000 2.152 303 Q HA -0.110 4.230 4.340 -0.000 0.000 0.206 303 Q C 1.524 177.613 176.000 0.148 0.000 0.985 303 Q CA 1.805 57.671 55.803 0.106 0.000 0.863 303 Q CB -0.620 28.162 28.738 0.073 0.000 0.904 303 Q HN 0.709 nan 8.270 nan 0.000 0.422 304 N N -0.617 118.197 118.700 0.189 0.000 2.207 304 N HA -0.108 4.632 4.740 -0.000 0.000 0.182 304 N C 1.451 177.146 175.510 0.308 0.000 1.020 304 N CA 0.622 53.806 53.050 0.224 0.000 0.858 304 N CB -0.111 38.511 38.487 0.225 0.000 0.991 304 N HN 0.195 nan 8.380 nan 0.000 0.427 305 W N 1.989 123.353 121.300 0.107 0.000 2.352 305 W HA -0.086 4.574 4.660 -0.000 0.000 0.322 305 W C 2.436 179.002 176.519 0.078 0.000 1.208 305 W CA 1.511 58.934 57.345 0.130 0.000 1.286 305 W CB -1.339 28.201 29.460 0.134 0.000 1.167 305 W HN 0.203 nan 8.180 nan 0.000 0.469 306 N N 0.426 119.317 118.700 0.319 0.000 2.049 306 N HA -0.295 4.445 4.740 -0.000 0.000 0.198 306 N C 1.809 177.404 175.510 0.141 0.000 1.030 306 N CA 2.633 55.793 53.050 0.183 0.000 0.870 306 N CB -0.459 38.116 38.487 0.146 0.000 1.045 306 N HN 0.074 nan 8.380 nan 0.000 0.434 307 K N 0.093 120.580 120.400 0.145 0.000 1.977 307 K HA -0.165 4.155 4.320 -0.000 0.000 0.218 307 K C 2.112 178.800 176.600 0.146 0.000 1.051 307 K CA 1.980 58.339 56.287 0.121 0.000 0.953 307 K CB -0.443 32.122 32.500 0.108 0.000 0.727 307 K HN 0.256 nan 8.250 nan 0.000 0.445 308 I N 1.395 122.075 120.570 0.184 0.000 2.143 308 I HA -0.364 3.806 4.170 -0.000 0.000 0.245 308 I C 2.258 178.515 176.117 0.233 0.000 1.068 308 I CA 1.458 62.932 61.300 0.290 0.000 1.326 308 I CB -0.251 37.888 38.000 0.233 0.000 1.028 308 I HN 0.317 nan 8.210 nan 0.000 0.412 309 I N -0.097 120.492 120.570 0.032 0.000 2.493 309 I HA -0.220 3.950 4.170 -0.000 0.000 0.254 309 I C 2.170 178.383 176.117 0.160 0.000 1.160 309 I CA 1.370 62.611 61.300 -0.098 0.000 1.445 309 I CB -0.484 37.373 38.000 -0.237 0.000 1.086 309 I HN 0.259 nan 8.210 nan 0.000 0.433 310 R N 0.274 120.890 120.500 0.193 0.000 2.362 310 R HA 0.045 4.385 4.340 -0.000 0.000 0.227 310 R C 1.883 178.297 176.300 0.190 0.000 0.905 310 R CA -0.062 56.175 56.100 0.228 0.000 1.067 310 R CB 0.184 30.560 30.300 0.127 0.000 1.078 310 R HN 0.147 nan 8.270 nan 0.000 0.516 311 K N 0.727 121.243 120.400 0.193 0.000 2.504 311 K HA 0.024 4.344 4.320 -0.000 0.000 0.195 311 K C 0.165 176.903 176.600 0.231 0.000 1.036 311 K CA 0.436 56.805 56.287 0.137 0.000 0.984 311 K CB 0.251 32.764 32.500 0.023 0.000 0.788 311 K HN -0.096 nan 8.250 nan 0.000 0.488 312 S N -0.326 115.558 115.700 0.306 0.000 2.438 312 S HA 0.155 4.625 4.470 -0.000 0.000 0.316 312 S C 0.523 175.305 174.600 0.303 0.000 1.084 312 S CA -0.742 57.638 58.200 0.299 0.000 1.107 312 S CB 1.532 64.841 63.200 0.181 0.000 0.981 312 S HN 0.146 nan 8.310 nan 0.000 0.466 313 T N 3.616 118.314 114.554 0.239 0.000 2.894 313 T HA -0.011 4.339 4.350 -0.000 0.000 0.258 313 T C 2.055 176.866 174.700 0.184 0.000 1.043 313 T CA 0.959 63.211 62.100 0.253 0.000 1.141 313 T CB -0.208 68.780 68.868 0.200 0.000 0.873 313 T HN 0.563 nan 8.240 nan 0.000 0.449 314 S N 1.267 117.012 115.700 0.076 0.000 2.359 314 S HA -0.029 4.441 4.470 -0.000 0.000 0.224 314 S C 1.936 176.466 174.600 -0.117 0.000 1.035 314 S CA 0.867 59.047 58.200 -0.032 0.000 1.018 314 S CB -0.546 62.623 63.200 -0.052 0.000 0.876 314 S HN 0.348 nan 8.310 nan 0.000 0.448 315 L N -0.354 120.749 121.223 -0.199 0.000 1.978 315 L HA -0.222 4.118 4.340 -0.000 0.000 0.218 315 L C 2.100 178.664 176.870 -0.510 0.000 1.075 315 L CA 1.987 56.553 54.840 -0.457 0.000 0.767 315 L CB -0.319 41.333 42.059 -0.679 0.000 0.890 315 L HN 0.498 nan 8.230 nan 0.000 0.434 316 W N -0.275 120.981 121.300 -0.075 0.000 2.436 316 W HA -0.128 4.532 4.660 -0.000 0.000 0.284 316 W C 2.640 179.152 176.519 -0.011 0.000 1.225 316 W CA 0.981 58.283 57.345 -0.072 0.000 1.271 316 W CB -0.193 29.269 29.460 0.002 0.000 1.114 316 W HN 0.107 nan 8.180 nan 0.000 0.559 317 K N 1.394 121.906 120.400 0.187 0.000 2.032 317 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 317 K C 1.819 178.388 176.600 -0.051 0.000 1.048 317 K CA 1.660 57.971 56.287 0.041 0.000 0.927 317 K CB -0.188 32.184 32.500 -0.213 0.000 0.712 317 K HN 0.019 nan 8.250 nan 0.000 0.441 318 K N 0.463 120.798 120.400 -0.108 0.000 2.097 318 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 318 K C 2.154 178.704 176.600 -0.083 0.000 1.050 318 K CA 1.212 57.427 56.287 -0.120 0.000 0.938 318 K CB -0.079 32.327 32.500 -0.156 0.000 0.718 318 K HN 0.165 nan 8.250 nan 0.000 0.442 319 L N 0.802 121.953 121.223 -0.120 0.000 1.994 319 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 319 L C 2.331 179.295 176.870 0.157 0.000 1.071 319 L CA 1.197 55.950 54.840 -0.144 0.000 0.745 319 L CB -0.471 41.234 42.059 -0.589 0.000 0.892 319 L HN 0.171 nan 8.230 nan 0.000 0.431 320 L N -0.395 121.024 121.223 0.326 0.000 2.013 320 L HA -0.291 4.049 4.340 -0.000 0.000 0.212 320 L C 2.499 179.528 176.870 0.266 0.000 1.073 320 L CA 1.504 56.653 54.840 0.516 0.000 0.753 320 L CB -0.472 41.883 42.059 0.494 0.000 0.890 320 L HN 0.242 nan 8.230 nan 0.000 0.432 321 I N -0.414 120.240 120.570 0.140 0.000 2.179 321 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 321 I C 2.728 178.841 176.117 -0.008 0.000 1.088 321 I CA 1.813 63.140 61.300 0.045 0.000 1.357 321 I CB -0.463 37.528 38.000 -0.015 0.000 1.051 321 I HN 0.389 nan 8.210 nan 0.000 0.409 322 S N -0.043 115.655 115.700 -0.003 0.000 2.481 322 S HA -0.061 4.409 4.470 -0.000 0.000 0.231 322 S C 1.495 176.062 174.600 -0.055 0.000 0.996 322 S CA 0.632 58.819 58.200 -0.021 0.000 0.942 322 S CB -0.190 63.007 63.200 -0.005 0.000 0.768 322 S HN 0.396 nan 8.310 nan 0.000 0.520 323 E N 1.667 121.791 120.200 -0.126 0.000 2.465 323 E HA 0.149 4.499 4.350 -0.000 0.000 0.191 323 E C -0.347 175.857 176.600 -0.659 0.000 1.053 323 E CA -0.149 56.017 56.400 -0.390 0.000 0.869 323 E CB -0.266 29.083 29.700 -0.584 0.000 0.977 323 E HN 0.517 nan 8.360 nan 0.000 0.483 324 N N 0.083 118.575 118.700 -0.346 0.000 2.758 324 N HA -0.201 4.539 4.740 -0.000 0.000 0.248 324 N C 0.054 175.456 175.510 -0.181 0.000 1.076 324 N CA 0.572 53.494 53.050 -0.212 0.000 0.696 324 N CB -2.115 36.288 38.487 -0.140 0.000 0.979 324 N HN 0.294 nan 8.380 nan 0.000 0.550 325 F N -0.878 119.123 119.950 0.084 0.000 2.776 325 F HA 0.308 4.835 4.527 -0.000 0.000 0.300 325 F C 1.345 177.202 175.800 0.096 0.000 1.116 325 F CA -0.191 57.853 58.000 0.074 0.000 1.375 325 F CB 0.785 39.834 39.000 0.081 0.000 1.109 325 F HN 0.073 nan 8.300 nan 0.000 0.585 326 V N -0.886 119.177 119.914 0.249 0.000 3.307 326 V HA 0.437 4.556 4.120 -0.000 0.000 0.283 326 V C -1.401 174.782 176.094 0.149 0.000 1.618 326 V CA -0.718 61.708 62.300 0.209 0.000 1.052 326 V CB 2.166 34.159 31.823 0.284 0.000 1.200 326 V HN -0.018 nan 8.190 nan 0.000 0.468 327 S N 2.984 118.763 115.700 0.132 0.000 2.566 327 S HA 0.728 5.197 4.470 -0.000 0.000 0.298 327 S C -2.226 172.433 174.600 0.097 0.000 1.083 327 S CA -1.112 57.135 58.200 0.077 0.000 0.978 327 S CB 1.830 65.058 63.200 0.047 0.000 1.073 327 S HN 0.580 nan 8.310 nan 0.000 0.491 328 P HA -0.180 nan 4.420 nan 0.000 0.219 328 P C 0.941 178.301 177.300 0.101 0.000 1.158 328 P CA 1.601 64.722 63.100 0.037 0.000 0.895 328 P CB 0.039 31.737 31.700 -0.002 0.000 0.792 329 K N -1.363 119.086 120.400 0.082 0.000 2.103 329 K HA 0.033 4.353 4.320 -0.000 0.000 0.204 329 K C 2.183 178.854 176.600 0.118 0.000 1.052 329 K CA 1.433 57.773 56.287 0.088 0.000 0.945 329 K CB -1.095 31.439 32.500 0.056 0.000 0.722 329 K HN 0.120 nan 8.250 nan 0.000 0.443 330 G N -0.396 108.479 108.800 0.125 0.000 2.679 330 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.212 330 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.212 330 G C 1.170 176.160 174.900 0.150 0.000 1.137 330 G CA -0.068 45.105 45.100 0.120 0.000 0.787 330 G HN 0.166 nan 8.290 nan 0.000 0.534 331 F N 2.564 122.543 119.950 0.049 0.000 2.026 331 F HA -0.172 4.355 4.527 -0.000 0.000 0.296 331 F C 2.378 178.209 175.800 0.052 0.000 1.133 331 F CA 1.837 59.871 58.000 0.057 0.000 1.188 331 F CB -0.282 38.751 39.000 0.054 0.000 0.968 331 F HN 0.084 nan 8.300 nan 0.000 0.476 332 N N -0.046 118.636 118.700 -0.030 0.000 2.132 332 N HA -0.230 4.510 4.740 -0.000 0.000 0.191 332 N C 2.155 177.585 175.510 -0.133 0.000 1.015 332 N CA 1.648 54.631 53.050 -0.112 0.000 0.864 332 N CB -0.962 37.539 38.487 0.024 0.000 1.006 332 N HN 0.433 nan 8.380 nan 0.000 0.430 333 S N 0.356 116.013 115.700 -0.072 0.000 2.406 333 S HA -0.014 4.456 4.470 -0.000 0.000 0.228 333 S C 1.859 176.409 174.600 -0.083 0.000 1.020 333 S CA 0.307 58.472 58.200 -0.058 0.000 0.965 333 S CB -0.131 63.059 63.200 -0.018 0.000 0.798 333 S HN 0.290 nan 8.310 nan 0.000 0.488 334 L N 1.996 123.149 121.223 -0.116 0.000 2.109 334 L HA 0.137 4.477 4.340 -0.000 0.000 0.207 334 L C 2.034 178.802 176.870 -0.169 0.000 1.086 334 L CA 1.808 56.585 54.840 -0.105 0.000 0.760 334 L CB -1.080 40.947 42.059 -0.054 0.000 0.910 334 L HN 0.372 nan 8.230 nan 0.000 0.437 335 N N -0.586 117.910 118.700 -0.342 0.000 2.061 335 N HA -0.256 4.484 4.740 -0.000 0.000 0.193 335 N C 1.877 177.302 175.510 -0.142 0.000 1.030 335 N CA 1.631 54.498 53.050 -0.304 0.000 0.856 335 N CB -0.139 38.070 38.487 -0.464 0.000 1.023 335 N HN 0.348 nan 8.380 nan 0.000 0.424 336 L N 2.171 123.324 121.223 -0.116 0.000 2.056 336 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 336 L C 2.244 179.085 176.870 -0.048 0.000 1.078 336 L CA 1.685 56.486 54.840 -0.065 0.000 0.749 336 L CB -0.605 41.421 42.059 -0.054 0.000 0.901 336 L HN 0.027 nan 8.230 nan 0.000 0.433 337 K N -0.639 119.732 120.400 -0.049 0.000 2.103 337 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 337 K C 2.017 178.599 176.600 -0.030 0.000 1.048 337 K CA 1.744 58.011 56.287 -0.034 0.000 0.930 337 K CB -0.171 32.314 32.500 -0.024 0.000 0.716 337 K HN 0.413 nan 8.250 nan 0.000 0.444 338 L N -0.162 121.056 121.223 -0.007 0.000 2.209 338 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 338 L C 2.583 179.496 176.870 0.071 0.000 1.094 338 L CA 0.539 55.422 54.840 0.072 0.000 0.790 338 L CB -0.318 41.796 42.059 0.092 0.000 0.932 338 L HN 0.175 nan 8.230 nan 0.000 0.447 339 S N -0.011 115.700 115.700 0.018 0.000 2.359 339 S HA -0.249 4.221 4.470 -0.000 0.000 0.224 339 S C 1.931 176.521 174.600 -0.016 0.000 1.035 339 S CA 1.550 59.756 58.200 0.011 0.000 1.018 339 S CB -0.085 63.111 63.200 -0.007 0.000 0.876 339 S HN 0.461 nan 8.310 nan 0.000 0.448 340 Q N -0.012 119.767 119.800 -0.036 0.000 2.291 340 Q HA -0.103 4.237 4.340 -0.000 0.000 0.206 340 Q C 2.043 177.979 176.000 -0.106 0.000 0.976 340 Q CA 1.325 57.097 55.803 -0.052 0.000 0.875 340 Q CB -0.080 28.636 28.738 -0.038 0.000 0.927 340 Q HN 0.500 nan 8.270 nan 0.000 0.450 341 K N -0.428 119.865 120.400 -0.179 0.000 2.313 341 K HA 0.006 4.326 4.320 -0.000 0.000 0.197 341 K C -0.243 175.989 176.600 -0.613 0.000 1.061 341 K CA 0.316 56.358 56.287 -0.409 0.000 0.980 341 K CB 0.623 32.804 32.500 -0.532 0.000 0.888 341 K HN 0.031 nan 8.250 nan 0.000 0.502 342 Y N 0.734 121.019 120.300 -0.025 0.000 2.553 342 Y HA 0.319 4.869 4.550 -0.000 0.000 0.369 342 Y C -2.192 173.694 175.900 -0.023 0.000 0.964 342 Y CA -2.652 55.432 58.100 -0.027 0.000 1.156 342 Y CB 1.121 39.559 38.460 -0.036 0.000 1.218 342 Y HN 0.136 nan 8.280 nan 0.000 0.630 343 P HA -0.162 nan 4.420 nan 0.000 0.219 343 P C 0.850 178.179 177.300 0.049 0.000 1.146 343 P CA 1.558 64.680 63.100 0.037 0.000 0.808 343 P CB 0.371 32.077 31.700 0.010 0.000 0.779 344 K N -1.334 119.104 120.400 0.063 0.000 2.404 344 K HA 0.175 4.495 4.320 -0.000 0.000 0.194 344 K C 0.586 177.209 176.600 0.038 0.000 1.023 344 K CA -0.097 56.216 56.287 0.044 0.000 1.094 344 K CB 0.032 32.554 32.500 0.037 0.000 0.841 344 K HN 0.199 nan 8.250 nan 0.000 0.523 345 L N 1.189 122.445 121.223 0.054 0.000 2.399 345 L HA 0.183 4.523 4.340 -0.000 0.000 0.265 345 L C 0.703 177.580 176.870 0.010 0.000 1.089 345 L CA -0.668 54.181 54.840 0.014 0.000 0.802 345 L CB 1.460 43.511 42.059 -0.014 0.000 1.180 345 L HN 0.064 nan 8.230 nan 0.000 0.454 346 S N -0.072 115.623 115.700 -0.009 0.000 2.614 346 S HA 0.055 4.525 4.470 -0.000 0.000 0.265 346 S C 0.651 175.252 174.600 0.001 0.000 1.303 346 S CA -0.482 57.719 58.200 0.001 0.000 1.000 346 S CB 1.323 64.524 63.200 0.001 0.000 0.935 346 S HN 0.737 nan 8.310 nan 0.000 0.551 347 Q N 0.277 120.091 119.800 0.025 0.000 2.112 347 Q HA -0.262 4.078 4.340 -0.000 0.000 0.206 347 Q C 2.011 178.035 176.000 0.039 0.000 0.987 347 Q CA 2.057 57.885 55.803 0.042 0.000 0.858 347 Q CB -0.274 28.509 28.738 0.076 0.000 0.905 347 Q HN 0.844 nan 8.270 nan 0.000 0.420 348 Q N 0.446 120.270 119.800 0.040 0.000 2.020 348 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 348 Q C 1.762 177.667 176.000 -0.158 0.000 0.982 348 Q CA 1.805 57.623 55.803 0.025 0.000 0.838 348 Q CB -0.048 28.736 28.738 0.078 0.000 0.899 348 Q HN 0.416 nan 8.270 nan 0.000 0.423 349 D N -0.038 120.278 120.400 -0.141 0.000 2.117 349 D HA -0.088 4.552 4.640 -0.000 0.000 0.198 349 D C 1.874 178.015 176.300 -0.265 0.000 0.982 349 D CA 0.790 54.652 54.000 -0.230 0.000 0.828 349 D CB -0.122 40.582 40.800 -0.159 0.000 0.967 349 D HN 0.174 nan 8.370 nan 0.000 0.464 350 R N 0.469 120.866 120.500 -0.172 0.000 2.122 350 R HA -0.142 4.198 4.340 -0.000 0.000 0.236 350 R C 2.619 178.831 176.300 -0.147 0.000 1.129 350 R CA 1.045 57.053 56.100 -0.152 0.000 0.925 350 R CB -0.667 29.618 30.300 -0.025 0.000 0.850 350 R HN 0.204 nan 8.270 nan 0.000 0.431 351 L N 0.051 121.225 121.223 -0.082 0.000 2.043 351 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 351 L C 2.830 179.612 176.870 -0.146 0.000 1.075 351 L CA 1.605 56.448 54.840 0.004 0.000 0.752 351 L CB -0.500 41.672 42.059 0.189 0.000 0.891 351 L HN 0.265 nan 8.230 nan 0.000 0.432 352 R N 0.061 120.202 120.500 -0.599 0.000 2.081 352 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 352 R C 2.394 178.438 176.300 -0.427 0.000 1.131 352 R CA 1.201 56.696 56.100 -1.008 0.000 0.960 352 R CB -0.133 29.323 30.300 -1.406 0.000 0.856 352 R HN 0.267 nan 8.270 nan 0.000 0.436 353 L N 0.263 121.272 121.223 -0.356 0.000 2.017 353 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 353 L C 2.417 179.175 176.870 -0.187 0.000 1.073 353 L CA 2.175 56.840 54.840 -0.292 0.000 0.745 353 L CB -0.824 40.980 42.059 -0.426 0.000 0.894 353 L HN 0.358 nan 8.230 nan 0.000 0.432 354 S N -0.785 114.841 115.700 -0.124 0.000 2.371 354 S HA -0.227 4.243 4.470 -0.000 0.000 0.224 354 S C 2.055 176.607 174.600 -0.081 0.000 1.029 354 S CA 1.060 59.220 58.200 -0.067 0.000 0.978 354 S CB -0.448 62.758 63.200 0.009 0.000 0.833 354 S HN 0.407 nan 8.310 nan 0.000 0.466 355 F N 1.934 121.835 119.950 -0.082 0.000 2.095 355 F HA -0.004 4.523 4.527 -0.000 0.000 0.298 355 F C 1.861 177.591 175.800 -0.117 0.000 1.104 355 F CA 1.682 59.672 58.000 -0.017 0.000 1.232 355 F CB -0.341 38.789 39.000 0.217 0.000 0.987 355 F HN 0.200 nan 8.300 nan 0.000 0.475 356 L N 0.140 121.315 121.223 -0.079 0.000 2.141 356 L HA -0.188 4.151 4.340 -0.000 0.000 0.209 356 L C 2.465 179.204 176.870 -0.219 0.000 1.094 356 L CA 1.750 56.500 54.840 -0.150 0.000 0.763 356 L CB -0.721 41.324 42.059 -0.023 0.000 0.908 356 L HN 0.303 nan 8.230 nan 0.000 0.437 357 E N 0.601 120.675 120.200 -0.210 0.000 2.047 357 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 357 E C 1.847 178.315 176.600 -0.219 0.000 0.987 357 E CA 1.638 57.950 56.400 -0.146 0.000 0.799 357 E CB 0.010 29.644 29.700 -0.109 0.000 0.752 357 E HN 0.483 nan 8.360 nan 0.000 0.449 358 N N 0.020 118.417 118.700 -0.505 0.000 2.104 358 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 358 N C 1.774 176.820 175.510 -0.774 0.000 1.024 358 N CA 1.166 53.675 53.050 -0.901 0.000 0.853 358 N CB -0.105 37.256 38.487 -1.878 0.000 1.008 358 N HN 0.152 nan 8.380 nan 0.000 0.424 359 I N 0.258 120.365 120.570 -0.772 0.000 2.286 359 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 359 I C 1.681 177.660 176.117 -0.229 0.000 1.115 359 I CA 0.927 61.900 61.300 -0.544 0.000 1.392 359 I CB -0.522 36.789 38.000 -1.147 0.000 1.065 359 I HN 0.127 nan 8.210 nan 0.000 0.418 360 F N 0.582 120.357 119.950 -0.292 0.000 2.186 360 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 360 F C 2.245 177.958 175.800 -0.145 0.000 1.090 360 F CA 1.639 59.546 58.000 -0.154 0.000 1.307 360 F CB -0.288 38.647 39.000 -0.109 0.000 1.019 360 F HN 0.005 nan 8.300 nan 0.000 0.489 361 I N -0.197 120.268 120.570 -0.176 0.000 2.315 361 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 361 I C 2.224 178.247 176.117 -0.157 0.000 1.117 361 I CA 0.768 61.946 61.300 -0.203 0.000 1.404 361 I CB -0.407 37.596 38.000 0.004 0.000 1.071 361 I HN 0.254 nan 8.210 nan 0.000 0.419 362 L N 0.769 121.874 121.223 -0.197 0.000 2.093 362 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 362 L C 2.275 178.945 176.870 -0.334 0.000 1.085 362 L CA 1.853 56.514 54.840 -0.299 0.000 0.755 362 L CB -0.542 41.358 42.059 -0.265 0.000 0.904 362 L HN -0.050 nan 8.230 nan 0.000 0.435 363 K N 0.364 120.623 120.400 -0.236 0.000 2.032 363 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 363 K C 1.888 178.358 176.600 -0.218 0.000 1.048 363 K CA 1.955 58.162 56.287 -0.135 0.000 0.927 363 K CB -0.732 31.719 32.500 -0.082 0.000 0.712 363 K HN 0.560 nan 8.250 nan 0.000 0.441 364 N N -1.108 117.288 118.700 -0.506 0.000 2.043 364 N HA -0.192 4.548 4.740 -0.000 0.000 0.193 364 N C 1.725 176.956 175.510 -0.465 0.000 1.037 364 N CA 1.404 53.894 53.050 -0.933 0.000 0.851 364 N CB -0.320 37.110 38.487 -1.761 0.000 1.027 364 N HN 0.217 nan 8.380 nan 0.000 0.422 365 W N 0.366 121.396 121.300 -0.451 0.000 2.350 365 W HA -0.133 4.527 4.660 -0.000 0.000 0.289 365 W C 1.519 178.004 176.519 -0.056 0.000 1.215 365 W CA 0.704 57.807 57.345 -0.402 0.000 1.236 365 W CB -0.281 28.828 29.460 -0.585 0.000 1.130 365 W HN 0.211 nan 8.180 nan 0.000 0.541 366 Y N -0.924 119.385 120.300 0.016 0.000 2.511 366 Y HA 0.095 4.645 4.550 -0.000 0.000 0.279 366 Y C 0.895 176.772 175.900 -0.039 0.000 1.157 366 Y CA 0.148 58.234 58.100 -0.023 0.000 1.300 366 Y CB -0.944 37.511 38.460 -0.009 0.000 1.052 366 Y HN -0.218 nan 8.280 nan 0.000 0.529 367 N N 2.205 120.998 118.700 0.154 0.000 2.462 367 N HA 0.111 4.851 4.740 -0.000 0.000 0.242 367 N C -1.922 173.672 175.510 0.139 0.000 1.010 367 N CA -2.251 50.883 53.050 0.139 0.000 0.939 367 N CB 1.315 39.897 38.487 0.157 0.000 1.127 367 N HN -0.077 nan 8.380 nan 0.000 0.509 368 P HA -0.163 nan 4.420 nan 0.000 0.218 368 P C 0.241 177.656 177.300 0.192 0.000 1.146 368 P CA 1.459 64.558 63.100 -0.000 0.000 0.813 368 P CB 0.442 32.134 31.700 -0.014 0.000 0.778 369 K N -2.010 118.499 120.400 0.182 0.000 2.393 369 K HA 0.084 4.403 4.320 -0.000 0.000 0.193 369 K C 0.582 177.292 176.600 0.184 0.000 1.026 369 K CA -0.306 56.074 56.287 0.155 0.000 1.064 369 K CB -0.102 32.460 32.500 0.104 0.000 0.833 369 K HN 0.115 nan 8.250 nan 0.000 0.521 370 F N 1.767 121.793 119.950 0.126 0.000 2.420 370 F HA 0.188 4.715 4.527 -0.000 0.000 0.352 370 F C -0.396 175.426 175.800 0.038 0.000 1.108 370 F CA -0.697 57.349 58.000 0.078 0.000 1.162 370 F CB 0.707 39.761 39.000 0.089 0.000 1.118 370 F HN -0.374 nan 8.300 nan 0.000 0.510 371 V N 8.147 127.622 119.914 -0.732 0.000 2.448 371 V HA 0.406 4.526 4.120 -0.000 0.000 0.295 371 V C -1.981 173.451 176.094 -1.105 0.000 1.025 371 V CA -1.649 60.206 62.300 -0.741 0.000 0.859 371 V CB 1.445 32.969 31.823 -0.497 0.000 0.988 371 V HN 0.681 nan 8.190 nan 0.000 0.431 372 P HA 0.254 nan 4.420 nan 0.000 0.274 372 P C -0.719 176.211 177.300 -0.617 0.000 1.237 372 P CA -0.536 62.026 63.100 -0.896 0.000 0.793 372 P CB 0.846 31.721 31.700 -1.376 0.000 0.977 373 Q N 0.635 120.159 119.800 -0.459 0.000 2.364 373 Q HA 0.200 4.540 4.340 -0.000 0.000 0.267 373 Q C 0.288 176.113 176.000 -0.292 0.000 0.999 373 Q CA 0.398 56.014 55.803 -0.312 0.000 0.886 373 Q CB 0.649 29.263 28.738 -0.206 0.000 1.243 373 Q HN 0.305 nan 8.270 nan 0.000 0.415 374 R N 0.969 121.326 120.500 -0.239 0.000 2.599 374 R HA 0.458 4.798 4.340 -0.000 0.000 0.295 374 R C -1.385 174.816 176.300 -0.165 0.000 0.963 374 R CA -0.245 55.726 56.100 -0.215 0.000 0.883 374 R CB 1.524 31.691 30.300 -0.222 0.000 1.171 374 R HN 0.513 nan 8.270 nan 0.000 0.450 375 T N 2.666 117.132 114.554 -0.147 0.000 2.881 375 T HA 0.285 4.634 4.350 -0.000 0.000 0.291 375 T C -1.002 173.628 174.700 -0.117 0.000 0.990 375 T CA -0.513 61.522 62.100 -0.110 0.000 0.976 375 T CB 1.753 70.574 68.868 -0.077 0.000 0.970 375 T HN 0.484 nan 8.240 nan 0.000 0.438 376 T N 4.763 119.251 114.554 -0.110 0.000 2.743 376 T HA 0.580 4.930 4.350 -0.000 0.000 0.292 376 T C -0.095 174.598 174.700 -0.011 0.000 0.972 376 T CA -0.510 61.526 62.100 -0.106 0.000 0.967 376 T CB 0.218 68.968 68.868 -0.197 0.000 0.926 376 T HN 0.306 nan 8.240 nan 0.000 0.459 377 L N 2.133 123.378 121.223 0.036 0.000 2.322 377 L HA 0.596 4.936 4.340 -0.000 0.000 0.269 377 L C 0.775 177.768 176.870 0.205 0.000 1.012 377 L CA -1.302 53.609 54.840 0.118 0.000 0.815 377 L CB 1.291 43.436 42.059 0.143 0.000 1.295 377 L HN 0.468 nan 8.230 nan 0.000 0.438 378 R N 0.269 120.866 120.500 0.162 0.000 2.640 378 R HA 0.192 4.532 4.340 -0.000 0.000 0.270 378 R C 0.266 176.550 176.300 -0.026 0.000 1.024 378 R CA 0.657 56.777 56.100 0.034 0.000 1.085 378 R CB 0.574 30.831 30.300 -0.072 0.000 0.963 378 R HN 0.843 nan 8.270 nan 0.000 0.426 379 G N 1.968 110.677 108.800 -0.151 0.000 3.365 379 G HA2 0.138 4.098 3.960 -0.000 0.000 0.185 379 G HA3 0.138 4.098 3.960 -0.000 0.000 0.185 379 G C -0.710 174.083 174.900 -0.178 0.000 1.565 379 G CA -0.242 44.817 45.100 -0.068 0.000 0.984 379 G HN 0.676 nan 8.290 nan 0.000 0.604 380 H N -1.442 117.564 119.070 -0.106 0.000 2.570 380 H HA 0.433 4.988 4.556 -0.000 0.000 0.342 380 H C 1.393 176.650 175.328 -0.118 0.000 1.245 380 H CA -0.446 55.546 56.048 -0.093 0.000 1.318 380 H CB 1.619 31.346 29.762 -0.058 0.000 1.694 380 H HN 0.174 nan 8.280 nan 0.000 0.592 381 M N -0.218 119.405 119.600 0.040 0.000 2.632 381 M HA -0.027 4.452 4.480 -0.000 0.000 0.256 381 M C 0.390 176.684 176.300 -0.010 0.000 1.080 381 M CA 0.931 56.223 55.300 -0.013 0.000 1.084 381 M CB 0.347 32.943 32.600 -0.007 0.000 1.439 381 M HN 0.392 nan 8.290 nan 0.000 0.509 382 T N -1.536 113.025 114.554 0.011 0.000 2.908 382 T HA 0.288 4.638 4.350 -0.000 0.000 0.290 382 T C 1.013 175.699 174.700 -0.023 0.000 1.034 382 T CA -0.367 61.724 62.100 -0.016 0.000 1.010 382 T CB 1.497 70.346 68.868 -0.033 0.000 1.068 382 T HN 0.249 nan 8.240 nan 0.000 0.481 383 S N 2.283 117.979 115.700 -0.007 0.000 2.406 383 S HA 0.040 4.510 4.470 -0.000 0.000 0.228 383 S C 0.740 175.396 174.600 0.092 0.000 1.020 383 S CA 0.434 58.676 58.200 0.070 0.000 0.965 383 S CB -0.274 63.000 63.200 0.124 0.000 0.798 383 S HN 0.501 nan 8.310 nan 0.000 0.488 384 V N 3.555 123.348 119.914 -0.202 0.000 2.498 384 V HA 0.336 4.455 4.120 -0.000 0.000 0.279 384 V C 0.046 175.721 176.094 -0.698 0.000 1.048 384 V CA -0.628 61.186 62.300 -0.809 0.000 0.967 384 V CB 0.953 32.227 31.823 -0.916 0.000 0.988 384 V HN 0.416 nan 8.190 nan 0.000 0.473 385 I N 5.113 125.163 120.570 -0.867 0.000 2.331 385 I HA 0.261 4.431 4.170 -0.000 0.000 0.292 385 I C 1.346 177.204 176.117 -0.433 0.000 0.998 385 I CA 0.028 61.075 61.300 -0.421 0.000 1.267 385 I CB 1.515 39.500 38.000 -0.025 0.000 1.386 385 I HN 0.819 nan 8.210 nan 0.000 0.476 386 T N 0.994 115.331 114.554 -0.360 0.000 3.040 386 T HA 0.127 4.477 4.350 -0.000 0.000 0.252 386 T C 0.626 175.223 174.700 -0.171 0.000 1.064 386 T CA -0.011 61.887 62.100 -0.336 0.000 1.110 386 T CB -0.091 68.500 68.868 -0.463 0.000 0.921 386 T HN 0.711 nan 8.240 nan 0.000 0.480 387 C N -0.103 119.146 119.300 -0.085 0.000 3.241 387 C HA 0.897 5.357 4.460 -0.000 0.000 0.312 387 C C -1.379 173.652 174.990 0.068 0.000 1.350 387 C CA -1.596 57.429 59.018 0.011 0.000 1.415 387 C CB 0.874 28.636 27.740 0.036 0.000 1.770 387 C HN 0.535 nan 8.230 nan 0.000 0.466 388 L N 1.234 122.521 121.223 0.107 0.000 2.562 388 L HA 0.512 4.852 4.340 -0.000 0.000 0.266 388 L C -1.303 175.666 176.870 0.165 0.000 0.949 388 L CA 0.046 54.969 54.840 0.139 0.000 0.879 388 L CB 1.878 44.018 42.059 0.136 0.000 1.278 388 L HN 0.819 nan 8.230 nan 0.000 0.404 389 Q N 3.752 123.663 119.800 0.185 0.000 2.312 389 Q HA 0.457 4.797 4.340 -0.000 0.000 0.263 389 Q C -1.559 174.600 176.000 0.266 0.000 0.995 389 Q CA -0.410 55.519 55.803 0.211 0.000 0.853 389 Q CB 2.961 31.829 28.738 0.217 0.000 1.300 389 Q HN 0.516 nan 8.270 nan 0.000 0.448 390 F N 3.266 123.239 119.950 0.039 0.000 2.553 390 F HA 0.442 4.969 4.527 -0.000 0.000 0.335 390 F C -1.079 174.704 175.800 -0.029 0.000 1.148 390 F CA -0.612 57.389 58.000 0.001 0.000 0.963 390 F CB 0.961 39.951 39.000 -0.017 0.000 1.217 390 F HN 0.370 nan 8.300 nan 0.000 0.441 391 E N 3.683 123.761 120.200 -0.204 0.000 2.375 391 E HA 0.199 4.549 4.350 -0.000 0.000 0.280 391 E C -1.091 175.281 176.600 -0.381 0.000 0.972 391 E CA -0.617 55.555 56.400 -0.380 0.000 0.782 391 E CB 1.617 31.149 29.700 -0.280 0.000 1.229 391 E HN 0.499 nan 8.360 nan 0.000 0.439 392 D N 1.700 121.931 120.400 -0.281 0.000 2.737 392 D HA -0.203 4.437 4.640 -0.000 0.000 0.233 392 D C -0.170 175.949 176.300 -0.302 0.000 1.155 392 D CA 1.343 55.220 54.000 -0.206 0.000 0.667 392 D CB -1.085 39.649 40.800 -0.109 0.000 1.060 392 D HN 0.620 nan 8.370 nan 0.000 0.427 393 N N -2.846 115.745 118.700 -0.183 0.000 2.828 393 N HA -0.285 4.455 4.740 -0.000 0.000 0.248 393 N C -0.563 174.851 175.510 -0.160 0.000 1.044 393 N CA 1.032 54.025 53.050 -0.095 0.000 0.851 393 N CB -1.543 36.828 38.487 -0.193 0.000 1.136 393 N HN 0.432 nan 8.380 nan 0.000 0.572 394 Y N 0.063 120.400 120.300 0.061 0.000 2.360 394 Y HA 0.575 5.125 4.550 -0.000 0.000 0.337 394 Y C 0.690 176.719 175.900 0.214 0.000 1.039 394 Y CA -0.808 57.335 58.100 0.072 0.000 1.109 394 Y CB 1.470 39.888 38.460 -0.070 0.000 1.201 394 Y HN -0.214 nan 8.280 nan 0.000 0.458 395 V N 5.227 125.371 119.914 0.384 0.000 2.417 395 V HA 0.498 4.618 4.120 -0.000 0.000 0.291 395 V C -0.505 175.800 176.094 0.352 0.000 1.024 395 V CA -0.787 61.690 62.300 0.294 0.000 0.861 395 V CB 1.258 33.124 31.823 0.072 0.000 0.985 395 V HN 0.506 nan 8.190 nan 0.000 0.436 396 I N 4.167 124.901 120.570 0.274 0.000 2.466 396 I HA 0.639 4.809 4.170 -0.000 0.000 0.289 396 I C 0.169 176.426 176.117 0.233 0.000 1.026 396 I CA -0.092 61.351 61.300 0.238 0.000 1.078 396 I CB 2.387 40.477 38.000 0.150 0.000 1.249 396 I HN 0.794 nan 8.210 nan 0.000 0.429 397 T N 1.569 116.299 114.554 0.293 0.000 2.916 397 T HA 0.954 5.304 4.350 -0.000 0.000 0.292 397 T C -0.336 174.545 174.700 0.301 0.000 1.055 397 T CA -0.934 61.343 62.100 0.296 0.000 1.009 397 T CB 2.074 71.184 68.868 0.403 0.000 1.118 397 T HN 0.813 nan 8.240 nan 0.000 0.497 398 G N -0.516 108.328 108.800 0.072 0.000 2.659 398 G HA2 0.844 4.803 3.960 -0.000 0.000 0.296 398 G HA3 0.844 4.803 3.960 -0.000 0.000 0.296 398 G C -1.275 173.381 174.900 -0.406 0.000 1.369 398 G CA -0.494 44.558 45.100 -0.081 0.000 0.937 398 G HN 1.215 nan 8.290 nan 0.000 0.485 399 A N 0.653 123.204 122.820 -0.449 0.000 2.588 399 A HA 0.679 4.999 4.320 -0.000 0.000 0.290 399 A C 0.459 177.964 177.584 -0.131 0.000 1.136 399 A CA 0.089 51.873 52.037 -0.423 0.000 0.681 399 A CB 1.104 19.658 19.000 -0.742 0.000 1.282 399 A HN 0.622 nan 8.150 nan 0.000 0.421 400 D N 0.176 120.526 120.400 -0.083 0.000 2.221 400 D HA -0.176 4.463 4.640 -0.000 0.000 0.204 400 D C 1.117 177.430 176.300 0.021 0.000 0.982 400 D CA 1.990 56.014 54.000 0.040 0.000 0.857 400 D CB 0.123 40.938 40.800 0.025 0.000 0.934 400 D HN 0.568 nan 8.370 nan 0.000 0.475 401 D N -0.056 120.345 120.400 0.002 0.000 2.392 401 D HA -0.141 4.499 4.640 -0.000 0.000 0.228 401 D C 0.570 176.908 176.300 0.063 0.000 1.003 401 D CA 0.473 54.498 54.000 0.041 0.000 0.917 401 D CB -0.167 40.673 40.800 0.067 0.000 0.890 401 D HN 0.329 nan 8.370 nan 0.000 0.532 402 K N -2.563 117.872 120.400 0.059 0.000 3.573 402 K HA -0.123 4.196 4.320 -0.000 0.000 0.280 402 K C -0.074 176.597 176.600 0.119 0.000 1.257 402 K CA 0.950 57.285 56.287 0.081 0.000 0.990 402 K CB -1.020 31.535 32.500 0.092 0.000 1.297 402 K HN 0.180 nan 8.250 nan 0.000 0.488 403 M N 0.780 120.457 119.600 0.128 0.000 2.444 403 M HA 0.513 4.993 4.480 -0.000 0.000 0.319 403 M C 0.152 176.540 176.300 0.148 0.000 1.183 403 M CA -0.561 54.813 55.300 0.124 0.000 1.032 403 M CB 0.644 33.317 32.600 0.122 0.000 1.569 403 M HN 0.063 nan 8.290 nan 0.000 0.468 404 I N 1.304 121.873 120.570 -0.002 0.000 2.509 404 I HA 0.453 4.622 4.170 -0.000 0.000 0.293 404 I C -0.205 175.871 176.117 -0.068 0.000 1.020 404 I CA -0.678 60.605 61.300 -0.029 0.000 1.088 404 I CB 1.963 39.765 38.000 -0.330 0.000 1.267 404 I HN 0.513 nan 8.210 nan 0.000 0.430 405 R N 4.694 125.201 120.500 0.011 0.000 2.494 405 R HA 0.714 5.054 4.340 -0.000 0.000 0.305 405 R C -1.366 174.909 176.300 -0.041 0.000 0.959 405 R CA -0.822 55.235 56.100 -0.072 0.000 0.864 405 R CB 2.545 32.712 30.300 -0.222 0.000 1.159 405 R HN 0.308 nan 8.270 nan 0.000 0.446 406 V N 4.126 123.933 119.914 -0.179 0.000 2.448 406 V HA 0.427 4.547 4.120 -0.000 0.000 0.295 406 V C -1.039 174.930 176.094 -0.208 0.000 1.025 406 V CA -0.805 61.428 62.300 -0.111 0.000 0.859 406 V CB 1.015 32.745 31.823 -0.156 0.000 0.988 406 V HN 0.614 nan 8.190 nan 0.000 0.431 407 Y N 1.433 121.824 120.300 0.152 0.000 2.524 407 Y HA 0.544 5.094 4.550 -0.000 0.000 0.344 407 Y C -0.033 175.949 175.900 0.136 0.000 1.012 407 Y CA -1.096 57.090 58.100 0.143 0.000 1.068 407 Y CB 1.652 40.187 38.460 0.126 0.000 1.249 407 Y HN 0.593 nan 8.280 nan 0.000 0.468 408 D N 0.388 120.923 120.400 0.226 0.000 2.317 408 D HA 0.137 4.777 4.640 -0.000 0.000 0.234 408 D C 0.663 177.020 176.300 0.095 0.000 1.112 408 D CA -0.190 53.874 54.000 0.108 0.000 0.840 408 D CB 1.416 42.246 40.800 0.050 0.000 1.078 408 D HN 0.565 nan 8.370 nan 0.000 0.486 409 S N 3.126 118.874 115.700 0.081 0.000 2.489 409 S HA -0.026 4.444 4.470 -0.000 0.000 0.228 409 S C 1.917 176.553 174.600 0.060 0.000 0.995 409 S CA 0.080 58.319 58.200 0.067 0.000 0.934 409 S CB -0.162 63.135 63.200 0.161 0.000 0.771 409 S HN 0.588 nan 8.310 nan 0.000 0.522 410 I N 2.265 122.859 120.570 0.039 0.000 2.235 410 I HA -0.031 4.139 4.170 -0.000 0.000 0.241 410 I C 1.847 177.977 176.117 0.022 0.000 1.085 410 I CA 1.125 62.443 61.300 0.030 0.000 1.378 410 I CB -0.247 37.756 38.000 0.004 0.000 1.076 410 I HN 0.314 nan 8.210 nan 0.000 0.415 411 N N 0.508 119.219 118.700 0.018 0.000 2.336 411 N HA 0.030 4.770 4.740 -0.000 0.000 0.189 411 N C -0.413 175.115 175.510 0.029 0.000 1.113 411 N CA -0.034 53.027 53.050 0.019 0.000 0.858 411 N CB 0.236 38.732 38.487 0.014 0.000 0.970 411 N HN 0.066 nan 8.380 nan 0.000 0.471 412 K N 0.232 120.654 120.400 0.037 0.000 3.257 412 K HA -0.204 4.116 4.320 -0.000 0.000 0.270 412 K C -0.959 175.692 176.600 0.085 0.000 0.984 412 K CA 0.655 56.967 56.287 0.041 0.000 0.739 412 K CB -0.960 31.541 32.500 0.002 0.000 1.351 412 K HN 0.171 nan 8.250 nan 0.000 0.463 413 K N 0.153 120.633 120.400 0.134 0.000 2.469 413 K HA 0.456 4.776 4.320 -0.000 0.000 0.254 413 K C -0.881 175.889 176.600 0.284 0.000 0.939 413 K CA -0.961 55.433 56.287 0.178 0.000 0.812 413 K CB 0.840 33.396 32.500 0.093 0.000 1.301 413 K HN 0.094 nan 8.250 nan 0.000 0.433 414 F N 3.917 123.943 119.950 0.126 0.000 2.578 414 F HA 0.084 4.611 4.527 -0.000 0.000 0.381 414 F C 0.270 176.005 175.800 -0.108 0.000 1.069 414 F CA 0.155 58.094 58.000 -0.102 0.000 1.231 414 F CB 0.168 39.085 39.000 -0.139 0.000 1.086 414 F HN 0.516 nan 8.300 nan 0.000 0.564 415 L N 4.993 125.848 121.223 -0.613 0.000 2.121 415 L HA 0.143 4.482 4.340 -0.000 0.000 0.200 415 L C -0.463 175.809 176.870 -0.998 0.000 1.077 415 L CA 0.456 54.947 54.840 -0.583 0.000 0.766 415 L CB -0.172 41.734 42.059 -0.255 0.000 0.931 415 L HN 0.667 nan 8.230 nan 0.000 0.452 416 L N -4.191 116.291 121.223 -1.234 0.000 2.794 416 L HA 0.427 4.767 4.340 -0.000 0.000 0.261 416 L C -0.921 175.701 176.870 -0.414 0.000 0.989 416 L CA -0.642 53.676 54.840 -0.869 0.000 0.900 416 L CB 1.460 43.285 42.059 -0.391 0.000 1.473 416 L HN -0.171 nan 8.230 nan 0.000 0.414 417 Q N 1.040 120.816 119.800 -0.040 0.000 2.290 417 Q HA 0.731 5.071 4.340 -0.000 0.000 0.259 417 Q C -1.492 174.454 176.000 -0.089 0.000 0.941 417 Q CA -0.629 55.190 55.803 0.027 0.000 0.912 417 Q CB 1.581 30.387 28.738 0.114 0.000 1.244 417 Q HN 0.749 nan 8.270 nan 0.000 0.441 418 L N 3.424 124.520 121.223 -0.212 0.000 2.261 418 L HA 0.382 4.722 4.340 -0.000 0.000 0.289 418 L C -0.197 176.492 176.870 -0.302 0.000 1.059 418 L CA -0.349 54.280 54.840 -0.352 0.000 0.816 418 L CB 0.904 42.433 42.059 -0.884 0.000 1.191 418 L HN 0.622 nan 8.230 nan 0.000 0.431 419 S N 0.876 116.574 115.700 -0.004 0.000 2.607 419 S HA 0.945 5.415 4.470 -0.000 0.000 0.303 419 S C 0.397 175.186 174.600 0.315 0.000 1.086 419 S CA 0.042 58.320 58.200 0.130 0.000 0.995 419 S CB 2.477 65.728 63.200 0.086 0.000 1.084 419 S HN 0.816 nan 8.310 nan 0.000 0.507 420 G N 0.100 109.062 108.800 0.270 0.000 4.172 420 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.204 420 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.204 420 G C -0.218 174.768 174.900 0.142 0.000 1.256 420 G CA -0.623 44.593 45.100 0.192 0.000 0.886 420 G HN 0.779 nan 8.290 nan 0.000 0.344 421 H N 2.140 121.351 119.070 0.235 0.000 3.140 421 H HA 0.097 4.653 4.556 -0.000 0.000 0.316 421 H C 0.119 175.491 175.328 0.073 0.000 0.986 421 H CA 0.993 57.126 56.048 0.142 0.000 1.397 421 H CB 0.980 30.840 29.762 0.162 0.000 1.377 421 H HN 0.236 nan 8.280 nan 0.000 0.585 422 D N 2.248 122.763 120.400 0.192 0.000 2.370 422 D HA 0.207 4.847 4.640 -0.000 0.000 0.230 422 D C 1.010 177.347 176.300 0.062 0.000 1.143 422 D CA 0.310 54.369 54.000 0.098 0.000 0.834 422 D CB 0.539 41.376 40.800 0.061 0.000 0.944 422 D HN 0.713 nan 8.370 nan 0.000 0.504 423 G N -1.264 107.574 108.800 0.062 0.000 2.387 423 G HA2 0.409 4.369 3.960 -0.000 0.000 0.294 423 G HA3 0.409 4.369 3.960 -0.000 0.000 0.294 423 G C -0.036 174.813 174.900 -0.086 0.000 1.509 423 G CA -0.453 44.630 45.100 -0.028 0.000 0.806 423 G HN 0.079 nan 8.290 nan 0.000 0.546 424 G N -1.190 107.550 108.800 -0.101 0.000 2.351 424 G HA2 0.416 4.376 3.960 -0.000 0.000 0.231 424 G HA3 0.416 4.376 3.960 -0.000 0.000 0.231 424 G C 0.195 175.014 174.900 -0.135 0.000 1.163 424 G CA 0.475 45.543 45.100 -0.053 0.000 0.861 424 G HN 1.232 nan 8.290 nan 0.000 0.500 425 V N 3.111 123.033 119.914 0.014 0.000 2.439 425 V HA 0.422 4.542 4.120 -0.000 0.000 0.282 425 V C -0.080 176.197 176.094 0.305 0.000 1.039 425 V CA -0.296 61.986 62.300 -0.030 0.000 0.913 425 V CB 1.666 33.452 31.823 -0.061 0.000 0.983 425 V HN 0.919 nan 8.190 nan 0.000 0.460 426 W N 2.431 123.646 121.300 -0.142 0.000 2.121 426 W HA 0.676 5.336 4.660 -0.000 0.000 0.275 426 W C 0.364 176.852 176.519 -0.051 0.000 0.903 426 W CA -0.095 57.192 57.345 -0.096 0.000 1.253 426 W CB 0.416 29.820 29.460 -0.094 0.000 1.016 426 W HN 0.629 nan 8.180 nan 0.000 0.537 427 A N 1.007 123.931 122.820 0.173 0.000 2.517 427 A HA 0.763 5.083 4.320 -0.000 0.000 0.297 427 A C -1.709 175.948 177.584 0.123 0.000 1.050 427 A CA -0.393 51.721 52.037 0.129 0.000 0.694 427 A CB 0.937 20.013 19.000 0.126 0.000 1.277 427 A HN 0.002 nan 8.150 nan 0.000 0.400 428 L N 1.116 122.413 121.223 0.123 0.000 2.381 428 L HA 0.746 5.086 4.340 -0.000 0.000 0.268 428 L C -0.496 176.464 176.870 0.149 0.000 0.997 428 L CA -0.884 54.038 54.840 0.137 0.000 0.818 428 L CB 2.573 44.711 42.059 0.131 0.000 1.310 428 L HN 0.717 nan 8.230 nan 0.000 0.416 429 K N 1.747 122.239 120.400 0.153 0.000 2.541 429 K HA 0.324 4.644 4.320 -0.000 0.000 0.250 429 K C -1.330 175.375 176.600 0.175 0.000 0.950 429 K CA -0.484 55.903 56.287 0.166 0.000 0.805 429 K CB 1.240 33.823 32.500 0.138 0.000 1.166 429 K HN 0.340 nan 8.250 nan 0.000 0.430 430 Y N 2.823 123.185 120.300 0.103 0.000 2.425 430 Y HA 0.487 5.037 4.550 -0.000 0.000 0.331 430 Y C -0.536 175.425 175.900 0.102 0.000 1.157 430 Y CA 0.170 58.325 58.100 0.091 0.000 1.372 430 Y CB 0.812 39.336 38.460 0.107 0.000 1.253 430 Y HN 0.662 nan 8.280 nan 0.000 0.536 431 A N 4.818 127.208 122.820 -0.717 0.000 2.350 431 A HA 0.318 4.638 4.320 -0.000 0.000 0.324 431 A C -1.407 175.723 177.584 -0.756 0.000 1.118 431 A CA -0.853 50.904 52.037 -0.467 0.000 0.783 431 A CB 0.215 19.074 19.000 -0.235 0.000 1.236 431 A HN 0.945 nan 8.150 nan 0.000 0.457 432 H N 0.498 119.400 119.070 -0.280 0.000 3.125 432 H HA 0.322 4.878 4.556 -0.000 0.000 0.310 432 H C 1.249 176.522 175.328 -0.092 0.000 0.980 432 H CA 2.117 58.131 56.048 -0.057 0.000 1.422 432 H CB 0.353 30.143 29.762 0.047 0.000 1.432 432 H HN 1.553 nan 8.280 nan 0.000 0.577 433 G N 2.540 111.101 108.800 -0.398 0.000 2.151 433 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.140 433 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.140 433 G C 0.866 175.720 174.900 -0.076 0.000 1.020 433 G CA 0.180 45.141 45.100 -0.232 0.000 0.688 433 G HN 1.591 nan 8.290 nan 0.000 0.500 434 G N -0.518 108.314 108.800 0.053 0.000 2.225 434 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.267 434 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.267 434 G C 0.276 175.115 174.900 -0.102 0.000 1.024 434 G CA 0.578 45.754 45.100 0.126 0.000 0.784 434 G HN 1.179 nan 8.290 nan 0.000 0.507 435 I N 0.344 120.737 120.570 -0.295 0.000 2.385 435 I HA 0.659 4.829 4.170 -0.000 0.000 0.294 435 I C 0.577 176.549 176.117 -0.241 0.000 0.988 435 I CA -0.979 60.192 61.300 -0.216 0.000 1.265 435 I CB 1.209 39.094 38.000 -0.191 0.000 1.388 435 I HN 0.281 nan 8.210 nan 0.000 0.480 436 L N 5.085 126.292 121.223 -0.027 0.000 2.354 436 L HA 0.869 5.209 4.340 -0.000 0.000 0.264 436 L C -0.904 176.064 176.870 0.163 0.000 1.008 436 L CA -0.750 54.129 54.840 0.065 0.000 0.819 436 L CB 1.869 44.002 42.059 0.124 0.000 1.339 436 L HN 0.179 nan 8.230 nan 0.000 0.420 437 V N 1.246 121.239 119.914 0.132 0.000 2.495 437 V HA 0.805 4.925 4.120 -0.000 0.000 0.298 437 V C -0.068 176.141 176.094 0.192 0.000 1.031 437 V CA -0.132 62.240 62.300 0.121 0.000 0.871 437 V CB 1.615 33.455 31.823 0.029 0.000 0.988 437 V HN 1.016 nan 8.190 nan 0.000 0.432 438 S N 2.539 118.398 115.700 0.266 0.000 2.513 438 S HA 0.875 5.345 4.470 -0.000 0.000 0.299 438 S C -0.099 174.644 174.600 0.239 0.000 1.087 438 S CA -0.484 57.901 58.200 0.309 0.000 1.012 438 S CB 1.913 65.441 63.200 0.546 0.000 1.044 438 S HN 1.103 nan 8.310 nan 0.000 0.485 439 G N 0.264 109.147 108.800 0.138 0.000 2.410 439 G HA2 0.670 4.630 3.960 -0.000 0.000 0.330 439 G HA3 0.670 4.630 3.960 -0.000 0.000 0.330 439 G C -0.684 174.167 174.900 -0.081 0.000 1.142 439 G CA -0.668 44.471 45.100 0.065 0.000 0.902 439 G HN 0.988 nan 8.290 nan 0.000 0.491 440 S N -1.555 114.053 115.700 -0.153 0.000 2.656 440 S HA 0.545 5.015 4.470 -0.000 0.000 0.273 440 S C 1.372 175.758 174.600 -0.355 0.000 1.168 440 S CA 0.396 58.389 58.200 -0.345 0.000 0.817 440 S CB 0.970 63.817 63.200 -0.588 0.000 1.146 440 S HN 0.996 nan 8.310 nan 0.000 0.475 441 T N -0.207 114.071 114.554 -0.461 0.000 3.023 441 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 441 T C 1.025 175.599 174.700 -0.211 0.000 1.093 441 T CA 1.450 63.291 62.100 -0.432 0.000 1.129 441 T CB -0.788 67.781 68.868 -0.498 0.000 0.899 441 T HN 0.714 nan 8.240 nan 0.000 0.491 442 D N 1.818 122.153 120.400 -0.109 0.000 2.371 442 D HA -0.093 4.547 4.640 -0.000 0.000 0.221 442 D C 1.025 177.326 176.300 0.002 0.000 0.986 442 D CA 0.078 54.070 54.000 -0.013 0.000 0.899 442 D CB -0.573 40.273 40.800 0.077 0.000 0.902 442 D HN 0.551 nan 8.370 nan 0.000 0.530 443 R N -1.415 119.065 120.500 -0.034 0.000 3.963 443 R HA -0.150 4.190 4.340 -0.000 0.000 0.394 443 R C 0.070 176.419 176.300 0.082 0.000 1.131 443 R CA 1.208 57.303 56.100 -0.009 0.000 1.059 443 R CB -3.279 27.025 30.300 0.007 0.000 1.614 443 R HN 0.515 nan 8.270 nan 0.000 0.546 444 T N -2.589 112.025 114.554 0.100 0.000 2.849 444 T HA 0.603 4.953 4.350 -0.000 0.000 0.284 444 T C 0.408 175.157 174.700 0.082 0.000 1.004 444 T CA -0.724 61.430 62.100 0.090 0.000 1.021 444 T CB 2.131 71.023 68.868 0.040 0.000 1.013 444 T HN 0.003 nan 8.240 nan 0.000 0.527 445 V N 2.031 121.906 119.914 -0.066 0.000 2.349 445 V HA 0.453 4.573 4.120 -0.000 0.000 0.284 445 V C 0.158 176.025 176.094 -0.378 0.000 1.014 445 V CA -0.852 61.343 62.300 -0.175 0.000 0.826 445 V CB 0.978 32.571 31.823 -0.384 0.000 1.009 445 V HN 0.800 nan 8.190 nan 0.000 0.431 446 R N 2.858 123.185 120.500 -0.289 0.000 2.540 446 R HA 0.788 5.128 4.340 -0.000 0.000 0.287 446 R C -1.068 174.881 176.300 -0.584 0.000 0.980 446 R CA -0.583 55.170 56.100 -0.579 0.000 0.966 446 R CB 2.252 32.087 30.300 -0.776 0.000 1.106 446 R HN 0.504 nan 8.270 nan 0.000 0.480 447 V N 2.858 122.307 119.914 -0.775 0.000 2.448 447 V HA 0.409 4.528 4.120 -0.000 0.000 0.295 447 V C -1.026 174.700 176.094 -0.613 0.000 1.025 447 V CA -0.794 61.194 62.300 -0.519 0.000 0.859 447 V CB 1.179 32.732 31.823 -0.450 0.000 0.988 447 V HN 0.667 nan 8.190 nan 0.000 0.431 448 W N 1.700 122.885 121.300 -0.192 0.000 2.627 448 W HA 0.593 5.253 4.660 -0.000 0.000 0.339 448 W C -0.240 176.160 176.519 -0.198 0.000 1.058 448 W CA -0.712 56.518 57.345 -0.192 0.000 1.223 448 W CB 0.879 30.252 29.460 -0.145 0.000 1.389 448 W HN 0.403 nan 8.180 nan 0.000 0.541 449 D N 2.371 122.774 120.400 0.004 0.000 2.392 449 D HA 0.272 4.912 4.640 -0.000 0.000 0.228 449 D C 0.799 177.076 176.300 -0.039 0.000 1.074 449 D CA -0.235 53.727 54.000 -0.063 0.000 0.838 449 D CB 0.957 41.662 40.800 -0.159 0.000 1.067 449 D HN 0.396 nan 8.370 nan 0.000 0.511 450 I N 2.985 123.513 120.570 -0.069 0.000 2.142 450 I HA -0.225 3.945 4.170 -0.000 0.000 0.240 450 I C 2.265 178.332 176.117 -0.083 0.000 1.078 450 I CA 0.742 61.965 61.300 -0.127 0.000 1.343 450 I CB -0.076 37.737 38.000 -0.312 0.000 1.046 450 I HN 0.299 nan 8.210 nan 0.000 0.405 451 K N 0.811 121.185 120.400 -0.045 0.000 2.286 451 K HA -0.198 4.122 4.320 -0.000 0.000 0.203 451 K C 1.802 178.393 176.600 -0.015 0.000 1.045 451 K CA 1.345 57.633 56.287 0.003 0.000 0.935 451 K CB -0.047 32.471 32.500 0.030 0.000 0.737 451 K HN 0.274 nan 8.250 nan 0.000 0.460 452 K N -0.979 119.399 120.400 -0.037 0.000 2.353 452 K HA 0.066 4.385 4.320 -0.000 0.000 0.195 452 K C 0.327 176.908 176.600 -0.032 0.000 1.031 452 K CA 0.378 56.644 56.287 -0.035 0.000 1.079 452 K CB 1.062 33.521 32.500 -0.068 0.000 0.857 452 K HN 0.216 nan 8.250 nan 0.000 0.535 453 G N 2.227 111.004 108.800 -0.038 0.000 2.359 453 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.298 453 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.298 453 G C -0.051 174.860 174.900 0.018 0.000 1.030 453 G CA 0.377 45.459 45.100 -0.030 0.000 1.149 453 G HN 0.413 nan 8.290 nan 0.000 0.512 454 C N -2.052 117.285 119.300 0.061 0.000 3.253 454 C HA 0.661 5.121 4.460 -0.000 0.000 0.342 454 C C 0.571 175.630 174.990 0.114 0.000 1.306 454 C CA -1.046 58.045 59.018 0.121 0.000 1.207 454 C CB 1.073 28.820 27.740 0.012 0.000 1.479 454 C HN 1.477 nan 8.230 nan 0.000 0.469 455 C N 2.561 121.836 119.300 -0.041 0.000 2.576 455 C HA 0.607 5.067 4.460 -0.000 0.000 0.401 455 C C 1.921 176.591 174.990 -0.532 0.000 1.314 455 C CA 1.106 59.740 59.018 -0.639 0.000 1.855 455 C CB -0.213 26.908 27.740 -1.032 0.000 2.537 455 C HN 1.247 nan 8.230 nan 0.000 0.578 456 T N 1.747 115.925 114.554 -0.626 0.000 3.034 456 T HA 0.247 4.597 4.350 -0.000 0.000 0.248 456 T C 0.456 174.643 174.700 -0.855 0.000 1.040 456 T CA 0.541 62.198 62.100 -0.737 0.000 1.107 456 T CB -0.063 68.312 68.868 -0.821 0.000 0.932 456 T HN 0.822 nan 8.240 nan 0.000 0.474 457 H N 0.139 118.960 119.070 -0.414 0.000 2.856 457 H HA 0.604 5.160 4.556 -0.000 0.000 0.355 457 H C -1.606 173.433 175.328 -0.482 0.000 1.079 457 H CA -0.704 55.164 56.048 -0.299 0.000 1.240 457 H CB 2.407 31.943 29.762 -0.377 0.000 1.701 457 H HN 0.042 nan 8.280 nan 0.000 0.527 458 V N 4.217 124.085 119.914 -0.076 0.000 2.409 458 V HA 0.279 4.399 4.120 -0.000 0.000 0.291 458 V C -0.227 176.004 176.094 0.229 0.000 1.020 458 V CA -0.515 61.700 62.300 -0.141 0.000 0.848 458 V CB 1.160 32.887 31.823 -0.161 0.000 0.990 458 V HN 0.627 nan 8.190 nan 0.000 0.430 459 F N 3.212 123.057 119.950 -0.174 0.000 2.291 459 F HA 0.436 4.963 4.527 -0.000 0.000 0.368 459 F C 0.918 176.619 175.800 -0.166 0.000 1.085 459 F CA -0.702 57.134 58.000 -0.274 0.000 1.165 459 F CB 1.009 39.396 39.000 -1.022 0.000 1.429 459 F HN 0.552 nan 8.300 nan 0.000 0.503 460 E N 1.228 121.566 120.200 0.230 0.000 2.369 460 E HA 0.541 4.891 4.350 -0.000 0.000 0.255 460 E C 0.112 176.890 176.600 0.298 0.000 1.172 460 E CA -0.231 56.299 56.400 0.217 0.000 0.932 460 E CB 1.348 31.163 29.700 0.191 0.000 1.040 460 E HN 0.774 nan 8.360 nan 0.000 0.454 461 G N 2.083 111.011 108.800 0.213 0.000 2.730 461 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.644 461 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.644 461 G C -1.360 173.518 174.900 -0.037 0.000 1.168 461 G CA -0.776 44.406 45.100 0.135 0.000 1.240 461 G HN 0.491 nan 8.290 nan 0.000 0.551 462 H N 0.328 119.376 119.070 -0.036 0.000 4.810 462 H HA 0.035 4.590 4.556 -0.000 0.000 0.678 462 H C 0.315 175.620 175.328 -0.040 0.000 1.936 462 H CA -0.410 55.556 56.048 -0.137 0.000 1.575 462 H CB -0.218 29.460 29.762 -0.139 0.000 3.692 462 H HN 0.499 nan 8.280 nan 0.000 0.505 463 N N 1.114 119.900 118.700 0.144 0.000 2.313 463 N HA 0.240 4.980 4.740 -0.000 0.000 0.207 463 N C 0.216 175.741 175.510 0.025 0.000 1.141 463 N CA 0.403 53.496 53.050 0.072 0.000 0.830 463 N CB 1.077 39.608 38.487 0.072 0.000 1.008 463 N HN 0.376 nan 8.380 nan 0.000 0.481 464 S N -1.605 114.084 115.700 -0.017 0.000 2.683 464 S HA 0.264 4.734 4.470 -0.000 0.000 0.269 464 S C -1.057 173.438 174.600 -0.174 0.000 1.165 464 S CA -0.797 57.354 58.200 -0.083 0.000 0.840 464 S CB 0.052 63.210 63.200 -0.071 0.000 1.169 464 S HN 0.003 nan 8.310 nan 0.000 0.490 465 T N 1.918 116.343 114.554 -0.216 0.000 2.939 465 T HA 0.162 4.512 4.350 -0.000 0.000 0.312 465 T C -0.020 174.500 174.700 -0.300 0.000 1.064 465 T CA 0.286 62.206 62.100 -0.301 0.000 1.136 465 T CB -0.020 68.582 68.868 -0.444 0.000 1.035 465 T HN 0.564 nan 8.240 nan 0.000 0.538 466 V N 5.497 125.245 119.914 -0.277 0.000 2.338 466 V HA 0.185 4.305 4.120 -0.000 0.000 0.255 466 V C 1.476 177.531 176.094 -0.065 0.000 1.082 466 V CA -0.037 62.129 62.300 -0.223 0.000 0.951 466 V CB 0.172 31.919 31.823 -0.125 0.000 1.102 466 V HN 0.765 nan 8.190 nan 0.000 0.489 467 R N 2.440 122.921 120.500 -0.031 0.000 2.240 467 R HA 0.120 4.460 4.340 -0.000 0.000 0.203 467 R C 0.614 176.968 176.300 0.090 0.000 1.011 467 R CA 0.877 57.044 56.100 0.112 0.000 1.007 467 R CB 0.231 30.586 30.300 0.092 0.000 0.911 467 R HN 0.903 nan 8.270 nan 0.000 0.468 468 C N -2.552 116.777 119.300 0.048 0.000 3.321 468 C HA 0.789 5.249 4.460 -0.000 0.000 0.329 468 C C -1.386 173.654 174.990 0.083 0.000 1.394 468 C CA -1.686 57.368 59.018 0.061 0.000 1.291 468 C CB 1.068 28.826 27.740 0.030 0.000 1.606 468 C HN 0.285 nan 8.230 nan 0.000 0.463 469 L N 0.762 122.044 121.223 0.099 0.000 2.731 469 L HA 0.872 5.212 4.340 -0.000 0.000 0.256 469 L C -2.092 174.852 176.870 0.122 0.000 0.947 469 L CA 0.214 55.128 54.840 0.123 0.000 0.914 469 L CB 1.925 44.062 42.059 0.130 0.000 1.470 469 L HN 1.031 nan 8.230 nan 0.000 0.421 470 D N 1.881 122.357 120.400 0.127 0.000 2.615 470 D HA 0.645 5.285 4.640 -0.000 0.000 0.267 470 D C -1.576 174.788 176.300 0.107 0.000 1.236 470 D CA -0.133 53.937 54.000 0.116 0.000 0.839 470 D CB 2.604 43.469 40.800 0.108 0.000 1.380 470 D HN 0.672 nan 8.370 nan 0.000 0.433 471 I N 1.335 121.953 120.570 0.080 0.000 2.498 471 I HA 0.524 4.694 4.170 -0.000 0.000 0.290 471 I C -0.046 176.033 176.117 -0.063 0.000 1.032 471 I CA -1.099 60.234 61.300 0.056 0.000 1.073 471 I CB 1.848 39.888 38.000 0.066 0.000 1.251 471 I HN 0.218 nan 8.210 nan 0.000 0.426 472 V N 1.772 121.634 119.914 -0.087 0.000 3.141 472 V HA 0.686 4.806 4.120 -0.000 0.000 0.312 472 V C -0.969 175.093 176.094 -0.053 0.000 1.157 472 V CA -0.528 61.555 62.300 -0.363 0.000 1.041 472 V CB 2.298 33.968 31.823 -0.254 0.000 1.071 472 V HN 0.873 nan 8.190 nan 0.000 0.441 473 E N 0.543 120.767 120.200 0.041 0.000 2.343 473 E HA 0.689 5.039 4.350 -0.000 0.000 0.270 473 E C -2.349 174.484 176.600 0.387 0.000 0.895 473 E CA -0.792 55.757 56.400 0.249 0.000 0.767 473 E CB 2.848 32.696 29.700 0.248 0.000 1.248 473 E HN 0.996 nan 8.360 nan 0.000 0.440 474 Y N 1.790 122.189 120.300 0.164 0.000 2.318 474 Y HA 0.148 4.698 4.550 -0.000 0.000 0.317 474 Y C -1.505 174.478 175.900 0.139 0.000 1.290 474 Y CA -0.737 57.464 58.100 0.168 0.000 1.177 474 Y CB 0.546 39.129 38.460 0.204 0.000 1.307 474 Y HN 0.632 nan 8.280 nan 0.000 0.428 475 K N 5.463 125.591 120.400 -0.453 0.000 4.040 475 K HA -0.338 3.982 4.320 -0.000 0.000 0.279 475 K C 0.408 176.882 176.600 -0.210 0.000 0.890 475 K CA 1.126 57.175 56.287 -0.398 0.000 0.782 475 K CB -0.690 31.432 32.500 -0.631 0.000 1.613 475 K HN 0.868 nan 8.250 nan 0.000 0.440 476 N N 0.389 119.026 118.700 -0.105 0.000 2.550 476 N HA -0.254 4.486 4.740 -0.000 0.000 0.252 476 N C 0.006 175.465 175.510 -0.086 0.000 1.033 476 N CA 1.500 54.512 53.050 -0.063 0.000 0.818 476 N CB -0.433 38.027 38.487 -0.045 0.000 1.016 476 N HN 0.505 nan 8.380 nan 0.000 0.566 477 I N -0.917 119.576 120.570 -0.128 0.000 2.525 477 I HA 0.337 4.507 4.170 -0.000 0.000 0.301 477 I C -0.387 175.541 176.117 -0.315 0.000 0.992 477 I CA -0.682 60.478 61.300 -0.234 0.000 1.162 477 I CB 1.429 39.240 38.000 -0.315 0.000 1.332 477 I HN -0.178 nan 8.210 nan 0.000 0.458 478 K N 5.622 125.824 120.400 -0.331 0.000 2.159 478 K HA 0.511 4.831 4.320 -0.000 0.000 0.266 478 K C -1.682 174.700 176.600 -0.365 0.000 0.975 478 K CA -0.406 55.742 56.287 -0.232 0.000 0.865 478 K CB 1.300 33.749 32.500 -0.084 0.000 1.087 478 K HN 0.532 nan 8.250 nan 0.000 0.446 479 Y N 1.174 121.511 120.300 0.061 0.000 2.570 479 Y HA 0.496 5.046 4.550 -0.000 0.000 0.345 479 Y C -0.128 175.823 175.900 0.085 0.000 1.014 479 Y CA -1.057 57.087 58.100 0.074 0.000 1.063 479 Y CB 1.402 39.891 38.460 0.048 0.000 1.272 479 Y HN 0.284 nan 8.280 nan 0.000 0.477 480 I N 2.257 123.034 120.570 0.344 0.000 2.406 480 I HA 0.451 4.621 4.170 -0.000 0.000 0.290 480 I C -1.116 175.209 176.117 0.346 0.000 0.999 480 I CA -0.889 60.595 61.300 0.307 0.000 1.124 480 I CB 1.540 39.745 38.000 0.340 0.000 1.289 480 I HN 0.218 nan 8.210 nan 0.000 0.441 481 V N 4.990 125.043 119.914 0.232 0.000 2.398 481 V HA 0.407 4.527 4.120 -0.000 0.000 0.286 481 V C 0.027 176.265 176.094 0.241 0.000 1.026 481 V CA -0.300 62.107 62.300 0.178 0.000 0.868 481 V CB 1.764 33.618 31.823 0.052 0.000 0.982 481 V HN 0.699 nan 8.190 nan 0.000 0.443 482 T N 4.090 118.846 114.554 0.337 0.000 2.809 482 T HA 0.646 4.996 4.350 -0.000 0.000 0.284 482 T C 0.173 175.081 174.700 0.348 0.000 0.992 482 T CA -0.284 62.064 62.100 0.414 0.000 0.957 482 T CB 1.146 70.456 68.868 0.736 0.000 0.942 482 T HN 0.923 nan 8.240 nan 0.000 0.439 483 G N 1.577 110.482 108.800 0.174 0.000 2.416 483 G HA2 0.619 4.578 3.960 -0.000 0.000 0.329 483 G HA3 0.619 4.578 3.960 -0.000 0.000 0.329 483 G C -0.993 173.868 174.900 -0.064 0.000 1.173 483 G CA -0.474 44.667 45.100 0.068 0.000 0.929 483 G HN 0.667 nan 8.290 nan 0.000 0.475 484 S N 0.265 115.905 115.700 -0.101 0.000 2.549 484 S HA 0.360 4.830 4.470 -0.000 0.000 0.280 484 S C 1.004 175.518 174.600 -0.143 0.000 1.109 484 S CA -0.790 57.277 58.200 -0.221 0.000 0.905 484 S CB 1.507 64.500 63.200 -0.346 0.000 1.081 484 S HN 0.546 nan 8.310 nan 0.000 0.477 485 R N 1.167 121.580 120.500 -0.146 0.000 2.421 485 R HA -0.060 4.280 4.340 -0.000 0.000 0.208 485 R C 0.216 176.490 176.300 -0.044 0.000 1.103 485 R CA 1.218 57.261 56.100 -0.096 0.000 1.065 485 R CB -0.357 29.901 30.300 -0.070 0.000 0.839 485 R HN 0.666 nan 8.270 nan 0.000 0.480 486 D N -1.729 118.654 120.400 -0.028 0.000 2.395 486 D HA 0.000 4.640 4.640 -0.000 0.000 0.213 486 D C 0.029 176.375 176.300 0.078 0.000 1.110 486 D CA -0.219 53.804 54.000 0.039 0.000 0.835 486 D CB -0.207 40.641 40.800 0.080 0.000 0.965 486 D HN 0.188 nan 8.370 nan 0.000 0.505 487 N N -1.330 117.405 118.700 0.059 0.000 2.962 487 N HA -0.169 4.571 4.740 -0.000 0.000 0.206 487 N C -0.267 175.339 175.510 0.159 0.000 0.907 487 N CA 1.222 54.332 53.050 0.100 0.000 1.029 487 N CB -1.287 37.269 38.487 0.116 0.000 1.009 487 N HN 0.532 nan 8.380 nan 0.000 0.587 488 T N -0.835 113.812 114.554 0.157 0.000 2.940 488 T HA 0.801 5.151 4.350 -0.000 0.000 0.288 488 T C -0.402 174.401 174.700 0.170 0.000 1.045 488 T CA -0.826 61.370 62.100 0.158 0.000 1.018 488 T CB 2.516 71.477 68.868 0.154 0.000 1.151 488 T HN 0.143 nan 8.240 nan 0.000 0.529 489 L N 0.709 121.958 121.223 0.043 0.000 2.319 489 L HA 0.649 4.989 4.340 -0.000 0.000 0.267 489 L C -0.648 176.241 176.870 0.031 0.000 1.011 489 L CA -1.106 53.773 54.840 0.064 0.000 0.818 489 L CB 1.769 43.735 42.059 -0.155 0.000 1.316 489 L HN 0.710 nan 8.230 nan 0.000 0.432 490 H N -0.139 118.855 119.070 -0.125 0.000 2.524 490 H HA 0.632 5.188 4.556 -0.000 0.000 0.353 490 H C -1.073 173.959 175.328 -0.493 0.000 1.136 490 H CA -0.566 55.244 56.048 -0.397 0.000 1.193 490 H CB 2.132 31.596 29.762 -0.496 0.000 1.558 490 H HN 0.152 nan 8.280 nan 0.000 0.515 491 V N 4.176 123.664 119.914 -0.710 0.000 2.384 491 V HA 0.315 4.435 4.120 -0.000 0.000 0.287 491 V C -0.971 174.742 176.094 -0.636 0.000 1.020 491 V CA -0.662 61.327 62.300 -0.519 0.000 0.850 491 V CB 0.389 31.911 31.823 -0.502 0.000 0.987 491 V HN 0.671 nan 8.190 nan 0.000 0.436 492 W N 3.128 124.425 121.300 -0.004 0.000 2.850 492 W HA 0.711 5.370 4.660 -0.000 0.000 0.349 492 W C -0.127 176.485 176.519 0.155 0.000 1.133 492 W CA -1.239 56.121 57.345 0.025 0.000 1.117 492 W CB 1.111 30.637 29.460 0.110 0.000 1.442 492 W HN 0.468 nan 8.180 nan 0.000 0.575 493 K N 1.331 121.966 120.400 0.393 0.000 2.206 493 K HA 0.641 4.960 4.320 -0.000 0.000 0.264 493 K C -0.999 175.704 176.600 0.172 0.000 0.967 493 K CA -0.779 55.668 56.287 0.267 0.000 0.844 493 K CB 1.589 34.197 32.500 0.180 0.000 1.099 493 K HN 0.596 nan 8.250 nan 0.000 0.441 494 L N 5.295 126.548 121.223 0.051 0.000 2.513 494 L HA 0.195 4.535 4.340 -0.000 0.000 0.272 494 L C -2.287 174.471 176.870 -0.186 0.000 1.187 494 L CA -1.188 53.607 54.840 -0.075 0.000 0.895 494 L CB 0.169 42.190 42.059 -0.063 0.000 1.147 494 L HN 0.622 nan 8.230 nan 0.000 0.483 495 P HA 0.060 nan 4.420 nan 0.000 0.265 495 P C -0.814 176.409 177.300 -0.128 0.000 1.222 495 P CA -0.220 62.613 63.100 -0.445 0.000 0.767 495 P CB 0.263 31.386 31.700 -0.962 0.000 0.801 509 Y N 0.266 120.505 120.300 -0.102 0.000 2.420 509 Y HA 0.294 4.844 4.550 -0.000 0.000 0.292 509 Y C -1.392 174.390 175.900 -0.197 0.000 1.119 509 Y CA -0.228 57.785 58.100 -0.144 0.000 1.229 509 Y CB 0.144 38.528 38.460 -0.125 0.000 1.026 509 Y HN 0.030 nan 8.280 nan 0.000 0.554 510 P HA 0.024 nan 4.420 nan 0.000 0.263 510 P C -0.840 176.382 177.300 -0.129 0.000 1.601 510 P CA 0.494 63.523 63.100 -0.118 0.000 1.161 510 P CB 0.005 31.635 31.700 -0.117 0.000 1.730 511 L N 4.718 125.857 121.223 -0.140 0.000 2.328 511 L HA 0.210 4.550 4.340 -0.000 0.000 0.280 511 L C -0.347 176.390 176.870 -0.222 0.000 1.111 511 L CA -0.409 54.338 54.840 -0.155 0.000 0.909 511 L CB 0.216 42.244 42.059 -0.052 0.000 1.277 511 L HN -0.003 nan 8.230 nan 0.000 0.433 512 V N 4.544 124.246 119.914 -0.353 0.000 2.539 512 V HA 0.361 4.481 4.120 -0.000 0.000 0.292 512 V C -0.385 175.334 176.094 -0.626 0.000 1.045 512 V CA -0.252 61.840 62.300 -0.346 0.000 0.945 512 V CB 1.482 33.112 31.823 -0.322 0.000 0.993 512 V HN 0.393 nan 8.190 nan 0.000 0.464 513 F N 3.407 123.288 119.950 -0.115 0.000 2.532 513 F HA 0.457 4.984 4.527 -0.000 0.000 0.365 513 F C 1.215 176.957 175.800 -0.097 0.000 1.112 513 F CA -0.624 57.324 58.000 -0.086 0.000 1.082 513 F CB 0.891 39.955 39.000 0.106 0.000 1.319 513 F HN 0.572 nan 8.300 nan 0.000 0.457 514 H N 0.313 119.480 119.070 0.162 0.000 2.495 514 H HA 0.046 4.602 4.556 -0.000 0.000 0.287 514 H C 0.171 175.559 175.328 0.099 0.000 1.033 514 H CA 0.638 56.750 56.048 0.106 0.000 1.307 514 H CB -0.001 29.790 29.762 0.047 0.000 1.401 514 H HN 0.265 nan 8.280 nan 0.000 0.555 515 T N 2.740 117.417 114.554 0.204 0.000 2.842 515 T HA 0.187 4.537 4.350 -0.000 0.000 0.308 515 T C -1.945 172.770 174.700 0.026 0.000 1.041 515 T CA -1.456 60.707 62.100 0.106 0.000 0.964 515 T CB 2.318 71.248 68.868 0.104 0.000 0.972 515 T HN -0.005 nan 8.240 nan 0.000 0.460 516 P HA -0.017 nan 4.420 nan 0.000 0.217 516 P C 1.517 178.539 177.300 -0.462 0.000 1.151 516 P CA 0.674 63.486 63.100 -0.480 0.000 0.828 516 P CB 0.329 31.510 31.700 -0.865 0.000 0.788 517 E N -0.309 119.734 120.200 -0.261 0.000 2.347 517 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 517 E C 0.983 177.573 176.600 -0.017 0.000 1.008 517 E CA 0.911 57.256 56.400 -0.092 0.000 0.852 517 E CB -0.066 29.595 29.700 -0.064 0.000 0.783 517 E HN 0.477 nan 8.360 nan 0.000 0.505 518 E N 0.260 120.458 120.200 -0.003 0.000 2.538 518 E HA 0.081 4.431 4.350 -0.000 0.000 0.207 518 E C 0.114 176.782 176.600 0.113 0.000 1.002 518 E CA -0.218 56.212 56.400 0.051 0.000 0.952 518 E CB 0.356 30.095 29.700 0.064 0.000 1.031 518 E HN 0.080 nan 8.360 nan 0.000 0.476 519 N N 1.502 120.235 118.700 0.055 0.000 2.422 519 N HA 0.094 4.834 4.740 -0.000 0.000 0.266 519 N C -1.945 173.437 175.510 -0.214 0.000 1.007 519 N CA -1.916 51.088 53.050 -0.077 0.000 0.941 519 N CB 1.257 39.633 38.487 -0.185 0.000 1.115 519 N HN -0.243 nan 8.380 nan 0.000 0.492 520 P HA -0.137 nan 4.420 nan 0.000 0.215 520 P C 0.157 177.177 177.300 -0.466 0.000 1.153 520 P CA 1.355 64.204 63.100 -0.417 0.000 0.853 520 P CB 0.001 31.345 31.700 -0.594 0.000 0.788 521 Y N -2.402 117.694 120.300 -0.339 0.000 2.578 521 Y HA 0.117 4.667 4.550 -0.000 0.000 0.297 521 Y C 1.026 176.822 175.900 -0.174 0.000 1.176 521 Y CA -0.355 57.576 58.100 -0.282 0.000 1.315 521 Y CB -1.127 37.081 38.460 -0.420 0.000 1.031 521 Y HN -0.092 nan 8.280 nan 0.000 0.524 522 F N -0.096 119.721 119.950 -0.221 0.000 2.424 522 F HA 0.383 4.910 4.527 -0.000 0.000 0.356 522 F C 0.545 176.188 175.800 -0.261 0.000 1.110 522 F CA -0.836 57.004 58.000 -0.266 0.000 1.161 522 F CB 0.733 39.535 39.000 -0.330 0.000 1.115 522 F HN -0.187 nan 8.300 nan 0.000 0.507 523 V N 5.098 124.469 119.914 -0.905 0.000 2.339 523 V HA 0.388 4.508 4.120 -0.000 0.000 0.234 523 V C 1.260 176.641 176.094 -1.187 0.000 1.053 523 V CA 1.021 62.859 62.300 -0.770 0.000 1.042 523 V CB -0.985 30.560 31.823 -0.463 0.000 0.678 523 V HN 0.957 nan 8.190 nan 0.000 0.475 524 G N -0.839 107.123 108.800 -1.397 0.000 2.706 524 G HA2 0.565 4.525 3.960 -0.000 0.000 0.307 524 G HA3 0.565 4.525 3.960 -0.000 0.000 0.307 524 G C -1.835 172.474 174.900 -0.986 0.000 1.307 524 G CA -0.179 44.204 45.100 -1.196 0.000 0.790 524 G HN 0.177 nan 8.290 nan 0.000 0.503 525 V N -0.089 119.478 119.914 -0.577 0.000 2.513 525 V HA 0.629 4.749 4.120 -0.000 0.000 0.299 525 V C -0.858 174.964 176.094 -0.453 0.000 1.035 525 V CA -0.797 61.168 62.300 -0.558 0.000 0.889 525 V CB 1.555 33.117 31.823 -0.436 0.000 0.988 525 V HN 0.463 nan 8.190 nan 0.000 0.440 526 L N 5.189 126.104 121.223 -0.513 0.000 2.356 526 L HA 0.504 4.843 4.340 -0.000 0.000 0.264 526 L C 0.347 176.979 176.870 -0.396 0.000 1.029 526 L CA -0.004 54.420 54.840 -0.694 0.000 0.897 526 L CB 0.702 41.903 42.059 -1.431 0.000 1.256 526 L HN 0.572 nan 8.230 nan 0.000 0.444 527 R N 1.101 121.559 120.500 -0.071 0.000 2.349 527 R HA 0.762 5.102 4.340 -0.000 0.000 0.299 527 R C 0.527 176.981 176.300 0.256 0.000 1.027 527 R CA 0.118 56.275 56.100 0.095 0.000 0.958 527 R CB 1.705 32.029 30.300 0.041 0.000 1.047 527 R HN 0.739 nan 8.270 nan 0.000 0.468 528 G N 1.279 110.214 108.800 0.226 0.000 3.858 528 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.114 528 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.114 528 G C -0.516 174.411 174.900 0.046 0.000 1.120 528 G CA -0.579 44.592 45.100 0.119 0.000 1.226 528 G HN 0.589 nan 8.290 nan 0.000 0.471 529 H N 1.974 121.136 119.070 0.153 0.000 3.140 529 H HA 0.058 4.614 4.556 -0.000 0.000 0.316 529 H C 1.068 176.442 175.328 0.076 0.000 0.986 529 H CA 0.623 56.729 56.048 0.096 0.000 1.397 529 H CB 0.799 30.622 29.762 0.102 0.000 1.377 529 H HN 0.135 nan 8.280 nan 0.000 0.585 530 M N 1.435 121.135 119.600 0.167 0.000 2.561 530 M HA 0.181 4.660 4.480 -0.000 0.000 0.238 530 M C 0.871 177.243 176.300 0.121 0.000 1.131 530 M CA 0.266 55.637 55.300 0.119 0.000 1.046 530 M CB -0.386 32.263 32.600 0.082 0.000 1.532 530 M HN 0.548 nan 8.290 nan 0.000 0.497 531 A N -0.348 122.558 122.820 0.144 0.000 2.504 531 A HA 0.604 4.924 4.320 -0.000 0.000 0.285 531 A C -0.192 177.415 177.584 0.038 0.000 1.261 531 A CA -0.603 51.499 52.037 0.108 0.000 0.741 531 A CB 0.551 19.638 19.000 0.144 0.000 1.327 531 A HN 0.145 nan 8.150 nan 0.000 0.441 532 S N -0.511 115.178 115.700 -0.019 0.000 2.558 532 S HA 0.257 4.727 4.470 -0.000 0.000 0.291 532 S C -0.080 174.333 174.600 -0.312 0.000 1.306 532 S CA -0.102 57.991 58.200 -0.177 0.000 1.056 532 S CB -0.273 62.761 63.200 -0.278 0.000 0.836 532 S HN 1.107 nan 8.310 nan 0.000 0.504 533 V N 6.912 126.655 119.914 -0.285 0.000 2.368 533 V HA 0.345 4.465 4.120 -0.000 0.000 0.266 533 V C 1.199 177.098 176.094 -0.325 0.000 1.045 533 V CA -0.409 61.696 62.300 -0.326 0.000 0.899 533 V CB 0.738 32.417 31.823 -0.240 0.000 1.006 533 V HN 0.979 nan 8.190 nan 0.000 0.470 534 R N 3.582 123.847 120.500 -0.392 0.000 2.223 534 R HA 0.136 4.476 4.340 -0.000 0.000 0.198 534 R C 0.670 176.867 176.300 -0.172 0.000 0.984 534 R CA 1.084 56.944 56.100 -0.400 0.000 1.018 534 R CB 0.369 30.325 30.300 -0.574 0.000 0.945 534 R HN 0.733 nan 8.270 nan 0.000 0.479 535 T N -1.017 113.470 114.554 -0.112 0.000 3.047 535 T HA 0.552 4.902 4.350 -0.000 0.000 0.340 535 T C -1.950 172.761 174.700 0.018 0.000 1.421 535 T CA -0.596 61.496 62.100 -0.013 0.000 1.090 535 T CB 1.317 70.202 68.868 0.028 0.000 1.292 535 T HN -0.142 nan 8.240 nan 0.000 0.480 536 V N 2.739 122.691 119.914 0.064 0.000 2.969 536 V HA 0.893 5.013 4.120 -0.000 0.000 0.304 536 V C -0.649 175.522 176.094 0.127 0.000 1.192 536 V CA -0.823 61.534 62.300 0.094 0.000 0.962 536 V CB 2.080 33.952 31.823 0.082 0.000 1.045 536 V HN 1.063 nan 8.190 nan 0.000 0.428 537 S N 1.981 117.777 115.700 0.159 0.000 2.603 537 S HA 0.885 5.355 4.470 -0.000 0.000 0.274 537 S C -0.563 174.190 174.600 0.255 0.000 1.168 537 S CA 0.303 58.629 58.200 0.210 0.000 0.963 537 S CB 1.580 64.924 63.200 0.239 0.000 1.078 537 S HN 1.660 nan 8.310 nan 0.000 0.477 538 G N 2.949 111.912 108.800 0.271 0.000 2.698 538 G HA2 0.647 4.607 3.960 -0.000 0.000 0.293 538 G HA3 0.647 4.607 3.960 -0.000 0.000 0.293 538 G C -2.072 173.041 174.900 0.356 0.000 1.437 538 G CA -0.410 44.898 45.100 0.348 0.000 0.852 538 G HN 0.694 nan 8.290 nan 0.000 0.499 539 H N -1.155 118.174 119.070 0.431 0.000 2.977 539 H HA 0.634 5.190 4.556 -0.000 0.000 0.350 539 H C 0.890 176.326 175.328 0.181 0.000 1.238 539 H CA 0.791 56.945 56.048 0.177 0.000 1.124 539 H CB 1.895 31.608 29.762 -0.083 0.000 1.866 539 H HN 1.553 nan 8.280 nan 0.000 0.550 540 G N 1.832 110.855 108.800 0.370 0.000 2.611 540 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.301 540 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.301 540 G C 0.791 175.731 174.900 0.066 0.000 1.233 540 G CA 0.760 46.032 45.100 0.286 0.000 0.993 540 G HN 0.773 nan 8.290 nan 0.000 0.553 541 N N 0.673 119.285 118.700 -0.147 0.000 2.236 541 N HA 0.137 4.876 4.740 -0.000 0.000 0.196 541 N C 0.580 175.951 175.510 -0.233 0.000 1.114 541 N CA 0.337 53.125 53.050 -0.436 0.000 0.859 541 N CB 0.390 38.336 38.487 -0.903 0.000 0.982 541 N HN 0.527 nan 8.380 nan 0.000 0.493 542 I N 1.966 122.468 120.570 -0.112 0.000 2.321 542 I HA 0.357 4.526 4.170 -0.000 0.000 0.291 542 I C -0.272 175.710 176.117 -0.225 0.000 0.998 542 I CA -0.842 60.329 61.300 -0.216 0.000 1.227 542 I CB 1.444 39.211 38.000 -0.389 0.000 1.368 542 I HN -0.247 nan 8.210 nan 0.000 0.466 543 V N 6.944 126.774 119.914 -0.139 0.000 2.735 543 V HA 0.564 4.684 4.120 -0.000 0.000 0.310 543 V C -0.153 175.970 176.094 0.048 0.000 1.061 543 V CA -0.757 61.532 62.300 -0.018 0.000 0.913 543 V CB 3.029 34.876 31.823 0.040 0.000 1.005 543 V HN 0.444 nan 8.190 nan 0.000 0.428 544 V N 3.020 122.982 119.914 0.079 0.000 2.588 544 V HA 0.686 4.806 4.120 -0.000 0.000 0.304 544 V C -0.139 176.068 176.094 0.187 0.000 1.042 544 V CA -0.322 62.041 62.300 0.104 0.000 0.877 544 V CB 2.337 34.179 31.823 0.032 0.000 0.996 544 V HN 1.038 nan 8.190 nan 0.000 0.425 545 S N 3.229 119.087 115.700 0.264 0.000 2.532 545 S HA 0.909 5.379 4.470 -0.000 0.000 0.301 545 S C -0.244 174.443 174.600 0.145 0.000 1.083 545 S CA -0.361 57.963 58.200 0.208 0.000 1.025 545 S CB 2.052 65.416 63.200 0.274 0.000 1.056 545 S HN 1.149 nan 8.310 nan 0.000 0.494 546 G N 0.456 109.266 108.800 0.016 0.000 2.530 546 G HA2 0.584 4.544 3.960 -0.000 0.000 0.316 546 G HA3 0.584 4.544 3.960 -0.000 0.000 0.316 546 G C -0.920 173.914 174.900 -0.109 0.000 1.298 546 G CA -0.633 44.475 45.100 0.013 0.000 0.948 546 G HN 0.857 nan 8.290 nan 0.000 0.486 547 S N 0.629 116.299 115.700 -0.049 0.000 2.607 547 S HA 0.439 4.909 4.470 -0.000 0.000 0.303 547 S C 0.671 175.316 174.600 0.076 0.000 1.086 547 S CA -0.659 57.482 58.200 -0.097 0.000 0.995 547 S CB 0.808 63.981 63.200 -0.045 0.000 1.084 547 S HN 0.423 nan 8.310 nan 0.000 0.507 548 Y N 1.791 122.050 120.300 -0.068 0.000 2.465 548 Y HA -0.074 4.476 4.550 -0.000 0.000 0.289 548 Y C 2.000 177.913 175.900 0.021 0.000 1.150 548 Y CA 1.301 59.374 58.100 -0.044 0.000 1.293 548 Y CB -0.715 37.714 38.460 -0.052 0.000 0.977 548 Y HN 0.752 nan 8.280 nan 0.000 0.556 549 D N -1.418 119.100 120.400 0.196 0.000 2.338 549 D HA -0.093 4.547 4.640 -0.000 0.000 0.239 549 D C 0.247 176.635 176.300 0.145 0.000 1.095 549 D CA 0.561 54.655 54.000 0.156 0.000 0.888 549 D CB -0.518 40.375 40.800 0.155 0.000 0.899 549 D HN 0.198 nan 8.370 nan 0.000 0.525 550 N N -0.909 117.885 118.700 0.157 0.000 2.936 550 N HA -0.180 4.559 4.740 -0.000 0.000 0.236 550 N C 0.297 175.922 175.510 0.192 0.000 0.930 550 N CA 1.699 54.850 53.050 0.169 0.000 0.966 550 N CB -1.997 36.587 38.487 0.162 0.000 1.090 550 N HN 0.673 nan 8.380 nan 0.000 0.592 551 T N -1.779 112.871 114.554 0.160 0.000 2.870 551 T HA 0.817 5.167 4.350 -0.000 0.000 0.277 551 T C -0.227 174.556 174.700 0.139 0.000 1.000 551 T CA -0.759 61.408 62.100 0.112 0.000 0.982 551 T CB 1.988 70.872 68.868 0.027 0.000 1.249 551 T HN 0.062 nan 8.240 nan 0.000 0.589 552 L N -0.031 121.204 121.223 0.021 0.000 2.434 552 L HA 0.701 5.041 4.340 -0.000 0.000 0.260 552 L C -1.123 175.671 176.870 -0.126 0.000 0.983 552 L CA -0.798 54.079 54.840 0.062 0.000 0.820 552 L CB 1.972 43.987 42.059 -0.074 0.000 1.361 552 L HN 0.632 nan 8.230 nan 0.000 0.410 553 I N 1.236 121.740 120.570 -0.111 0.000 2.569 553 I HA 0.554 4.724 4.170 -0.000 0.000 0.296 553 I C -0.683 175.141 176.117 -0.489 0.000 1.028 553 I CA -0.654 60.350 61.300 -0.493 0.000 1.082 553 I CB 2.296 39.737 38.000 -0.933 0.000 1.264 553 I HN 0.170 nan 8.210 nan 0.000 0.429 554 V N 4.717 124.313 119.914 -0.530 0.000 2.370 554 V HA 0.347 4.466 4.120 -0.000 0.000 0.279 554 V C -0.941 174.862 176.094 -0.485 0.000 1.029 554 V CA -0.543 61.545 62.300 -0.353 0.000 0.870 554 V CB 0.713 32.448 31.823 -0.147 0.000 0.984 554 V HN 0.607 nan 8.190 nan 0.000 0.451 555 W N 2.077 123.281 121.300 -0.161 0.000 2.639 555 W HA 0.571 5.231 4.660 -0.000 0.000 0.347 555 W C -0.205 176.188 176.519 -0.210 0.000 1.067 555 W CA -0.597 56.643 57.345 -0.175 0.000 1.218 555 W CB 1.272 30.644 29.460 -0.148 0.000 1.393 555 W HN 0.421 nan 8.180 nan 0.000 0.557 556 D N 1.215 121.649 120.400 0.057 0.000 2.462 556 D HA 0.169 4.809 4.640 -0.000 0.000 0.249 556 D C 0.461 176.678 176.300 -0.137 0.000 1.117 556 D CA -0.338 53.609 54.000 -0.088 0.000 0.900 556 D CB 1.498 42.226 40.800 -0.120 0.000 1.039 556 D HN 0.169 nan 8.370 nan 0.000 0.516 557 V N 3.307 123.091 119.914 -0.217 0.000 2.867 557 V HA -0.168 3.952 4.120 -0.000 0.000 0.260 557 V C 2.328 178.187 176.094 -0.393 0.000 1.099 557 V CA 1.847 63.952 62.300 -0.326 0.000 1.122 557 V CB -0.598 30.999 31.823 -0.378 0.000 0.708 557 V HN 0.644 nan 8.190 nan 0.000 0.490 558 A N -0.204 122.393 122.820 -0.371 0.000 1.858 558 A HA -0.241 4.078 4.320 -0.000 0.000 0.216 558 A C 2.036 179.528 177.584 -0.153 0.000 1.190 558 A CA 1.674 53.567 52.037 -0.239 0.000 0.617 558 A CB -0.282 18.591 19.000 -0.212 0.000 0.827 558 A HN 0.622 nan 8.150 nan 0.000 0.443 559 Q N -1.214 118.501 119.800 -0.143 0.000 2.247 559 Q HA 0.300 4.639 4.340 -0.000 0.000 0.204 559 Q C -0.438 175.495 176.000 -0.112 0.000 0.872 559 Q CA -0.424 55.316 55.803 -0.105 0.000 0.951 559 Q CB 0.499 29.189 28.738 -0.080 0.000 1.099 559 Q HN 0.428 nan 8.270 nan 0.000 0.501 560 M N 1.300 120.809 119.600 -0.151 0.000 2.175 560 M HA -0.222 4.258 4.480 -0.000 0.000 0.192 560 M C -0.537 175.746 176.300 -0.029 0.000 0.473 560 M CA 1.300 56.509 55.300 -0.151 0.000 0.414 560 M CB -1.621 30.849 32.600 -0.216 0.000 1.069 560 M HN 0.172 nan 8.290 nan 0.000 0.933 561 K N -0.086 120.344 120.400 0.051 0.000 2.443 561 K HA 0.402 4.722 4.320 -0.000 0.000 0.252 561 K C -0.474 176.183 176.600 0.096 0.000 0.933 561 K CA -0.609 55.712 56.287 0.056 0.000 0.792 561 K CB 2.369 34.841 32.500 -0.047 0.000 1.185 561 K HN 0.443 nan 8.250 nan 0.000 0.425 562 C N 5.591 124.883 119.300 -0.014 0.000 2.632 562 C HA 0.258 4.718 4.460 -0.000 0.000 0.415 562 C C 1.307 176.042 174.990 -0.425 0.000 1.332 562 C CA -0.313 58.430 59.018 -0.459 0.000 1.874 562 C CB -1.003 26.352 27.740 -0.642 0.000 2.596 562 C HN 0.987 nan 8.230 nan 0.000 0.590 563 L N 3.435 124.336 121.223 -0.537 0.000 2.435 563 L HA 0.384 4.723 4.340 -0.000 0.000 0.195 563 L C -0.356 176.005 176.870 -0.849 0.000 1.072 563 L CA 0.420 54.885 54.840 -0.626 0.000 0.833 563 L CB -0.018 41.719 42.059 -0.537 0.000 1.081 563 L HN 0.631 nan 8.230 nan 0.000 0.485 564 Y N -0.984 119.114 120.300 -0.337 0.000 2.534 564 Y HA 0.445 4.995 4.550 -0.000 0.000 0.345 564 Y C -0.755 174.926 175.900 -0.365 0.000 1.031 564 Y CA -1.192 56.731 58.100 -0.295 0.000 1.022 564 Y CB 1.428 39.746 38.460 -0.238 0.000 1.292 564 Y HN -0.182 nan 8.280 nan 0.000 0.459 565 I N 3.715 124.211 120.570 -0.123 0.000 2.310 565 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 565 I C -0.757 175.208 176.117 -0.254 0.000 1.073 565 I CA -0.126 61.044 61.300 -0.215 0.000 1.216 565 I CB 0.262 38.154 38.000 -0.180 0.000 1.415 565 I HN 0.315 nan 8.210 nan 0.000 0.480 566 L N 5.025 125.990 121.223 -0.430 0.000 2.454 566 L HA 0.318 4.658 4.340 -0.000 0.000 0.284 566 L C 0.440 177.030 176.870 -0.467 0.000 1.139 566 L CA 0.211 54.558 54.840 -0.821 0.000 0.911 566 L CB -0.055 41.090 42.059 -1.524 0.000 1.262 566 L HN 0.560 nan 8.230 nan 0.000 0.453 567 S N 1.552 117.138 115.700 -0.189 0.000 2.532 567 S HA 0.807 5.277 4.470 -0.000 0.000 0.299 567 S C 0.493 175.195 174.600 0.170 0.000 1.105 567 S CA 0.222 58.433 58.200 0.017 0.000 1.018 567 S CB 1.749 64.950 63.200 0.002 0.000 1.021 567 S HN 0.826 nan 8.310 nan 0.000 0.483 568 G N 2.821 111.727 108.800 0.177 0.000 4.044 568 G HA2 0.044 4.004 3.960 -0.000 0.000 0.189 568 G HA3 0.044 4.004 3.960 -0.000 0.000 0.189 568 G C -0.229 174.712 174.900 0.070 0.000 0.838 568 G CA -0.491 44.678 45.100 0.116 0.000 0.876 568 G HN 0.689 nan 8.290 nan 0.000 0.419 569 H N 1.046 120.232 119.070 0.193 0.000 2.895 569 H HA 0.380 4.936 4.556 -0.000 0.000 0.371 569 H C 1.307 176.697 175.328 0.104 0.000 1.219 569 H CA 1.630 57.765 56.048 0.144 0.000 1.431 569 H CB 1.022 30.886 29.762 0.170 0.000 1.414 569 H HN 0.183 nan 8.280 nan 0.000 0.617 570 T N -1.476 113.222 114.554 0.240 0.000 3.380 570 T HA 0.287 4.637 4.350 -0.000 0.000 0.289 570 T C -0.263 174.510 174.700 0.122 0.000 1.012 570 T CA -0.508 61.679 62.100 0.144 0.000 0.944 570 T CB 0.138 69.069 68.868 0.105 0.000 1.172 570 T HN 0.545 nan 8.240 nan 0.000 0.502 571 D N 0.489 120.970 120.400 0.135 0.000 2.913 571 D HA 0.153 4.793 4.640 -0.000 0.000 0.293 571 D C -0.795 175.566 176.300 0.102 0.000 1.238 571 D CA -0.767 53.292 54.000 0.098 0.000 0.738 571 D CB 1.442 42.289 40.800 0.080 0.000 1.254 571 D HN 0.154 nan 8.370 nan 0.000 0.429 572 R N 0.619 121.178 120.500 0.099 0.000 2.619 572 R HA 0.174 4.514 4.340 -0.000 0.000 0.268 572 R C 0.167 176.560 176.300 0.155 0.000 0.990 572 R CA 0.411 56.592 56.100 0.134 0.000 1.092 572 R CB 0.263 30.602 30.300 0.064 0.000 0.935 572 R HN 0.276 nan 8.270 nan 0.000 0.415 573 I N 3.200 123.854 120.570 0.139 0.000 2.325 573 I HA 0.020 4.190 4.170 -0.000 0.000 0.291 573 I C 0.272 176.453 176.117 0.108 0.000 1.019 573 I CA -0.061 61.293 61.300 0.091 0.000 1.302 573 I CB 0.757 38.797 38.000 0.067 0.000 1.401 573 I HN 0.670 nan 8.210 nan 0.000 0.485 574 Y N 3.517 123.863 120.300 0.077 0.000 2.449 574 Y HA 0.178 4.728 4.550 -0.000 0.000 0.254 574 Y C 1.086 177.032 175.900 0.075 0.000 1.140 574 Y CA 0.168 58.332 58.100 0.106 0.000 1.272 574 Y CB 0.883 39.396 38.460 0.089 0.000 1.114 574 Y HN 0.606 nan 8.280 nan 0.000 0.525 575 S N -1.173 114.632 115.700 0.175 0.000 2.586 575 S HA 0.516 4.986 4.470 -0.000 0.000 0.277 575 S C -1.323 173.361 174.600 0.141 0.000 1.131 575 S CA -0.431 57.859 58.200 0.150 0.000 0.848 575 S CB 1.482 64.783 63.200 0.168 0.000 1.091 575 S HN -0.028 nan 8.310 nan 0.000 0.453 576 T N 2.596 117.237 114.554 0.144 0.000 3.047 576 T HA 0.639 4.989 4.350 -0.000 0.000 0.340 576 T C -2.007 172.802 174.700 0.182 0.000 1.421 576 T CA -0.438 61.762 62.100 0.166 0.000 1.090 576 T CB 0.645 69.603 68.868 0.150 0.000 1.292 576 T HN 0.541 nan 8.240 nan 0.000 0.480 577 I N 4.240 124.935 120.570 0.207 0.000 2.498 577 I HA 0.399 4.569 4.170 -0.000 0.000 0.290 577 I C -1.249 175.039 176.117 0.286 0.000 1.032 577 I CA -1.156 60.279 61.300 0.224 0.000 1.073 577 I CB 1.957 40.069 38.000 0.187 0.000 1.251 577 I HN 0.633 nan 8.210 nan 0.000 0.426 578 Y N 5.994 126.395 120.300 0.169 0.000 2.452 578 Y HA 0.248 4.798 4.550 -0.000 0.000 0.348 578 Y C -0.125 175.889 175.900 0.191 0.000 0.985 578 Y CA -1.111 57.096 58.100 0.179 0.000 1.214 578 Y CB 0.473 39.047 38.460 0.189 0.000 1.136 578 Y HN 0.475 nan 8.280 nan 0.000 0.523 579 D N 6.053 126.471 120.400 0.030 0.000 2.468 579 D HA 0.025 4.665 4.640 -0.000 0.000 0.218 579 D C 1.233 177.314 176.300 -0.366 0.000 1.155 579 D CA -0.023 53.886 54.000 -0.151 0.000 0.924 579 D CB -0.013 40.795 40.800 0.015 0.000 1.029 579 D HN 0.853 nan 8.370 nan 0.000 0.515 580 H N 2.522 121.225 119.070 -0.612 0.000 2.299 580 H HA -0.099 4.457 4.556 -0.000 0.000 0.302 580 H C 1.364 176.591 175.328 -0.168 0.000 1.078 580 H CA 1.037 56.734 56.048 -0.585 0.000 1.323 580 H CB -0.229 29.210 29.762 -0.539 0.000 1.381 580 H HN 0.491 nan 8.280 nan 0.000 0.498 581 E N 1.302 121.226 120.200 -0.460 0.000 2.164 581 E HA -0.233 4.116 4.350 -0.000 0.000 0.206 581 E C 1.646 178.204 176.600 -0.070 0.000 1.032 581 E CA 1.866 58.145 56.400 -0.202 0.000 0.832 581 E CB 0.034 29.573 29.700 -0.268 0.000 0.742 581 E HN 0.522 nan 8.360 nan 0.000 0.460 582 R N -0.689 119.774 120.500 -0.062 0.000 2.472 582 R HA 0.113 4.453 4.340 -0.000 0.000 0.279 582 R C -0.340 176.000 176.300 0.066 0.000 0.953 582 R CA -0.163 55.946 56.100 0.015 0.000 1.088 582 R CB 0.646 30.964 30.300 0.030 0.000 1.197 582 R HN -0.097 nan 8.270 nan 0.000 0.536 583 K N 1.576 122.024 120.400 0.079 0.000 3.653 583 K HA -0.200 4.120 4.320 -0.000 0.000 0.275 583 K C -0.953 175.761 176.600 0.190 0.000 0.962 583 K CA 0.777 57.170 56.287 0.177 0.000 0.773 583 K CB -0.823 31.773 32.500 0.160 0.000 1.463 583 K HN 0.268 nan 8.250 nan 0.000 0.450 584 R N -0.959 119.665 120.500 0.207 0.000 2.817 584 R HA 0.717 5.057 4.340 -0.000 0.000 0.268 584 R C -1.145 175.330 176.300 0.292 0.000 1.027 584 R CA -0.715 55.517 56.100 0.221 0.000 0.928 584 R CB 2.179 32.595 30.300 0.194 0.000 1.228 584 R HN 0.301 nan 8.270 nan 0.000 0.469 585 C N 1.691 121.170 119.300 0.298 0.000 2.626 585 C HA 0.744 5.204 4.460 -0.000 0.000 0.310 585 C C -1.157 174.054 174.990 0.367 0.000 1.191 585 C CA -0.486 58.728 59.018 0.326 0.000 1.517 585 C CB 0.592 28.481 27.740 0.249 0.000 2.102 585 C HN 0.724 nan 8.230 nan 0.000 0.479 586 I N 4.603 125.355 120.570 0.304 0.000 2.509 586 I HA 0.573 4.742 4.170 -0.000 0.000 0.293 586 I C -0.099 176.193 176.117 0.291 0.000 1.020 586 I CA 0.131 61.584 61.300 0.255 0.000 1.088 586 I CB 2.253 40.358 38.000 0.174 0.000 1.267 586 I HN 0.799 nan 8.210 nan 0.000 0.430 587 S N 4.047 119.953 115.700 0.342 0.000 2.538 587 S HA 0.915 5.385 4.470 -0.000 0.000 0.288 587 S C -0.849 173.899 174.600 0.246 0.000 1.108 587 S CA -0.783 57.629 58.200 0.354 0.000 0.971 587 S CB 2.077 65.643 63.200 0.609 0.000 1.041 587 S HN 0.778 nan 8.310 nan 0.000 0.483 588 A N 1.696 124.590 122.820 0.122 0.000 2.319 588 A HA 0.827 5.147 4.320 -0.000 0.000 0.310 588 A C -0.094 177.469 177.584 -0.036 0.000 1.152 588 A CA -0.669 51.403 52.037 0.058 0.000 0.783 588 A CB 1.452 20.511 19.000 0.098 0.000 1.184 588 A HN 0.910 nan 8.150 nan 0.000 0.474 589 S N 1.707 117.325 115.700 -0.136 0.000 2.681 589 S HA 0.483 4.953 4.470 -0.000 0.000 0.299 589 S C 1.028 175.630 174.600 0.004 0.000 1.113 589 S CA -0.495 57.608 58.200 -0.160 0.000 1.013 589 S CB 1.198 64.122 63.200 -0.460 0.000 1.076 589 S HN 0.790 nan 8.310 nan 0.000 0.534 590 M N 1.865 121.510 119.600 0.075 0.000 2.492 590 M HA -0.015 4.465 4.480 -0.000 0.000 0.262 590 M C 1.210 177.539 176.300 0.048 0.000 1.090 590 M CA 1.529 56.863 55.300 0.057 0.000 1.110 590 M CB -0.301 32.370 32.600 0.119 0.000 1.407 590 M HN 0.817 nan 8.290 nan 0.000 0.470 591 D N -0.974 119.462 120.400 0.061 0.000 2.310 591 D HA -0.161 4.479 4.640 -0.000 0.000 0.212 591 D C 1.116 177.474 176.300 0.096 0.000 0.965 591 D CA 1.612 55.669 54.000 0.094 0.000 0.879 591 D CB -0.224 40.671 40.800 0.158 0.000 0.921 591 D HN 0.425 nan 8.370 nan 0.000 0.510 592 T N -2.400 112.204 114.554 0.083 0.000 5.401 592 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 592 T C 0.376 175.156 174.700 0.132 0.000 2.216 592 T CA 1.092 63.248 62.100 0.094 0.000 3.796 592 T CB -2.101 66.821 68.868 0.091 0.000 0.342 592 T HN 0.664 nan 8.240 nan 0.000 0.838 593 T N 0.045 114.688 114.554 0.148 0.000 2.814 593 T HA 0.797 5.146 4.350 -0.000 0.000 0.284 593 T C 0.244 175.037 174.700 0.156 0.000 0.998 593 T CA -0.744 61.445 62.100 0.149 0.000 0.935 593 T CB 1.350 70.303 68.868 0.142 0.000 1.167 593 T HN 0.394 nan 8.240 nan 0.000 0.545 594 I N 0.022 120.638 120.570 0.077 0.000 2.689 594 I HA 0.529 4.699 4.170 -0.000 0.000 0.299 594 I C 0.010 176.092 176.117 -0.057 0.000 1.059 594 I CA -1.063 60.258 61.300 0.036 0.000 1.055 594 I CB 2.224 40.153 38.000 -0.118 0.000 1.243 594 I HN 0.536 nan 8.210 nan 0.000 0.425 595 R N 5.610 126.102 120.500 -0.013 0.000 2.532 595 R HA 0.598 4.937 4.340 -0.000 0.000 0.297 595 R C -1.395 174.642 176.300 -0.438 0.000 0.984 595 R CA -0.866 55.020 56.100 -0.356 0.000 0.884 595 R CB 2.166 32.112 30.300 -0.590 0.000 1.182 595 R HN 0.360 nan 8.270 nan 0.000 0.442 596 I N 2.810 122.997 120.570 -0.638 0.000 2.336 596 I HA 0.362 4.532 4.170 -0.000 0.000 0.292 596 I C -0.652 175.115 176.117 -0.584 0.000 0.991 596 I CA -1.045 59.978 61.300 -0.461 0.000 1.227 596 I CB 0.698 38.389 38.000 -0.514 0.000 1.366 596 I HN 0.518 nan 8.210 nan 0.000 0.466 597 W N 3.556 124.786 121.300 -0.116 0.000 2.736 597 W HA 0.375 5.035 4.660 -0.000 0.000 0.335 597 W C 0.045 176.505 176.519 -0.098 0.000 1.059 597 W CA -0.849 56.417 57.345 -0.132 0.000 1.226 597 W CB 0.458 29.846 29.460 -0.119 0.000 1.416 597 W HN 0.342 nan 8.180 nan 0.000 0.505 598 D N 2.407 122.850 120.400 0.070 0.000 2.346 598 D HA 0.091 4.731 4.640 -0.000 0.000 0.260 598 D C 0.677 176.967 176.300 -0.017 0.000 1.252 598 D CA 0.254 54.264 54.000 0.016 0.000 0.895 598 D CB 0.971 41.742 40.800 -0.049 0.000 1.097 598 D HN 0.499 nan 8.370 nan 0.000 0.489 599 L N 2.797 124.052 121.223 0.053 0.000 2.599 599 L HA 0.080 4.420 4.340 -0.000 0.000 0.230 599 L C 1.167 178.078 176.870 0.070 0.000 1.141 599 L CA 0.290 55.158 54.840 0.048 0.000 0.877 599 L CB -0.073 42.090 42.059 0.174 0.000 1.009 599 L HN 0.419 nan 8.230 nan 0.000 0.447 606 G N 0.981 109.260 108.800 -0.868 0.000 2.272 606 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.280 606 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.280 606 G C -0.647 174.046 174.900 -0.345 0.000 1.067 606 G CA 0.835 45.320 45.100 -1.026 0.000 0.902 606 G HN 0.908 nan 8.290 nan 0.000 0.500 607 E N -1.031 119.082 120.200 -0.145 0.000 2.281 607 E HA 0.809 5.159 4.350 -0.000 0.000 0.262 607 E C 0.363 176.989 176.600 0.043 0.000 0.933 607 E CA -1.416 54.984 56.400 0.000 0.000 0.809 607 E CB 1.020 30.686 29.700 -0.057 0.000 1.242 607 E HN 0.309 nan 8.360 nan 0.000 0.418 626 Y N 0.435 120.502 120.300 -0.388 0.000 2.512 626 Y HA 0.634 5.184 4.550 -0.000 0.000 0.348 626 Y C -0.478 175.141 175.900 -0.469 0.000 0.990 626 Y CA -1.248 56.624 58.100 -0.381 0.000 1.033 626 Y CB 1.579 39.815 38.460 -0.373 0.000 1.259 626 Y HN -0.121 nan 8.280 nan 0.000 0.461 627 T N 4.257 118.694 114.554 -0.194 0.000 2.758 627 T HA 0.536 4.885 4.350 -0.000 0.000 0.285 627 T C -0.290 174.288 174.700 -0.203 0.000 0.981 627 T CA -0.655 61.306 62.100 -0.232 0.000 0.965 627 T CB 0.254 69.009 68.868 -0.189 0.000 0.927 627 T HN 0.351 nan 8.240 nan 0.000 0.448 628 L N 3.128 124.178 121.223 -0.288 0.000 2.312 628 L HA 0.518 4.857 4.340 -0.000 0.000 0.281 628 L C 0.213 177.007 176.870 -0.127 0.000 1.070 628 L CA -0.783 53.826 54.840 -0.385 0.000 0.805 628 L CB 1.155 42.652 42.059 -0.937 0.000 1.174 628 L HN 0.471 nan 8.230 nan 0.000 0.434 629 Q N 0.851 120.668 119.800 0.028 0.000 2.316 629 Q HA 0.615 4.954 4.340 -0.000 0.000 0.264 629 Q C 0.181 176.384 176.000 0.338 0.000 0.987 629 Q CA 0.190 56.084 55.803 0.151 0.000 0.852 629 Q CB 1.941 30.729 28.738 0.084 0.000 1.287 629 Q HN 0.746 nan 8.270 nan 0.000 0.448 630 G N 2.272 111.208 108.800 0.228 0.000 4.378 630 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.191 630 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.191 630 G C -0.660 174.084 174.900 -0.261 0.000 0.748 630 G CA -0.302 44.809 45.100 0.019 0.000 0.826 630 G HN 0.573 nan 8.290 nan 0.000 0.464 631 H N 1.676 120.835 119.070 0.148 0.000 2.646 631 H HA 0.387 4.943 4.556 -0.000 0.000 0.328 631 H C 0.072 175.442 175.328 0.069 0.000 0.998 631 H CA 0.404 56.506 56.048 0.090 0.000 1.225 631 H CB 1.681 31.494 29.762 0.085 0.000 1.457 631 H HN 0.146 nan 8.280 nan 0.000 0.505 632 T N 0.276 114.922 114.554 0.153 0.000 3.330 632 T HA 0.593 4.943 4.350 -0.000 0.000 0.249 632 T C 0.490 175.251 174.700 0.102 0.000 0.980 632 T CA -0.451 61.713 62.100 0.106 0.000 0.920 632 T CB -0.293 68.621 68.868 0.077 0.000 1.065 632 T HN 0.628 nan 8.240 nan 0.000 0.588 633 A N 1.503 124.397 122.820 0.123 0.000 2.599 633 A HA 0.585 4.905 4.320 -0.000 0.000 0.294 633 A C -0.581 177.023 177.584 0.033 0.000 1.055 633 A CA -1.424 50.654 52.037 0.067 0.000 0.683 633 A CB 0.473 19.506 19.000 0.055 0.000 1.278 633 A HN 0.714 nan 8.150 nan 0.000 0.412 634 L N 0.192 121.399 121.223 -0.026 0.000 2.737 634 L HA 0.294 4.634 4.340 -0.000 0.000 0.275 634 L C 0.053 176.836 176.870 -0.146 0.000 1.179 634 L CA -0.442 54.348 54.840 -0.084 0.000 0.970 634 L CB -1.126 40.839 42.059 -0.156 0.000 1.268 634 L HN 0.295 nan 8.230 nan 0.000 0.485 635 V N 4.486 124.318 119.914 -0.137 0.000 2.425 635 V HA 0.135 4.255 4.120 -0.000 0.000 0.276 635 V C 1.449 177.482 176.094 -0.102 0.000 1.017 635 V CA 0.735 62.911 62.300 -0.207 0.000 1.062 635 V CB 0.184 31.900 31.823 -0.178 0.000 0.997 635 V HN 1.023 nan 8.190 nan 0.000 0.476 636 G N 4.957 113.691 108.800 -0.110 0.000 2.471 636 G HA2 0.165 4.125 3.960 -0.000 0.000 0.211 636 G HA3 0.165 4.125 3.960 -0.000 0.000 0.211 636 G C 0.330 175.287 174.900 0.095 0.000 1.194 636 G CA -0.046 45.024 45.100 -0.049 0.000 0.816 636 G HN 0.488 nan 8.290 nan 0.000 0.545 637 L N 0.563 121.870 121.223 0.141 0.000 2.325 637 L HA 0.594 4.934 4.340 -0.000 0.000 0.279 637 L C -0.402 176.628 176.870 0.266 0.000 1.054 637 L CA -0.244 54.703 54.840 0.180 0.000 0.804 637 L CB 2.056 44.203 42.059 0.147 0.000 1.200 637 L HN 0.011 nan 8.230 nan 0.000 0.436 638 L N 3.635 124.969 121.223 0.184 0.000 2.385 638 L HA 0.671 5.011 4.340 -0.000 0.000 0.273 638 L C -0.543 176.428 176.870 0.168 0.000 0.990 638 L CA -0.747 54.237 54.840 0.239 0.000 0.821 638 L CB 1.690 43.866 42.059 0.195 0.000 1.279 638 L HN 0.559 nan 8.230 nan 0.000 0.412 639 R N 3.834 124.505 120.500 0.285 0.000 2.725 639 R HA 0.611 4.951 4.340 -0.000 0.000 0.277 639 R C -1.433 175.003 176.300 0.226 0.000 0.987 639 R CA -0.762 55.438 56.100 0.168 0.000 0.901 639 R CB 2.872 33.220 30.300 0.080 0.000 1.207 639 R HN 0.513 nan 8.270 nan 0.000 0.463 640 L N 2.156 123.469 121.223 0.150 0.000 2.377 640 L HA 0.313 4.653 4.340 -0.000 0.000 0.270 640 L C 0.124 177.060 176.870 0.111 0.000 0.991 640 L CA -0.309 54.624 54.840 0.154 0.000 0.851 640 L CB 1.723 43.853 42.059 0.119 0.000 1.218 640 L HN 0.829 nan 8.230 nan 0.000 0.420 641 S N 1.503 117.293 115.700 0.150 0.000 2.738 641 S HA 0.208 4.678 4.470 -0.000 0.000 0.284 641 S C 0.828 175.450 174.600 0.035 0.000 1.146 641 S CA -0.646 57.616 58.200 0.104 0.000 0.997 641 S CB 1.482 64.786 63.200 0.174 0.000 1.081 641 S HN 0.664 nan 8.310 nan 0.000 0.553 642 D N 0.410 120.808 120.400 -0.004 0.000 2.172 642 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 642 D C 1.365 177.577 176.300 -0.147 0.000 0.999 642 D CA 1.517 55.480 54.000 -0.061 0.000 0.856 642 D CB 0.066 40.835 40.800 -0.051 0.000 0.934 642 D HN 0.597 nan 8.370 nan 0.000 0.453 643 K N -1.802 118.434 120.400 -0.273 0.000 2.425 643 K HA 0.145 4.465 4.320 -0.000 0.000 0.201 643 K C -0.024 176.224 176.600 -0.586 0.000 1.128 643 K CA -0.065 55.895 56.287 -0.544 0.000 1.000 643 K CB 1.065 33.002 32.500 -0.939 0.000 0.961 643 K HN -0.021 nan 8.250 nan 0.000 0.555 644 F N 0.971 120.973 119.950 0.087 0.000 2.540 644 F HA 0.338 4.865 4.527 -0.000 0.000 0.317 644 F C -0.604 175.283 175.800 0.145 0.000 1.104 644 F CA -1.510 56.557 58.000 0.112 0.000 0.913 644 F CB 1.506 40.624 39.000 0.197 0.000 1.170 644 F HN -0.256 nan 8.300 nan 0.000 0.450 645 L N 4.531 125.991 121.223 0.396 0.000 2.261 645 L HA 0.601 4.941 4.340 -0.000 0.000 0.289 645 L C -0.959 176.171 176.870 0.434 0.000 1.059 645 L CA -0.308 54.770 54.840 0.398 0.000 0.816 645 L CB 0.637 42.948 42.059 0.419 0.000 1.191 645 L HN 0.391 nan 8.230 nan 0.000 0.431 646 V N 4.590 124.730 119.914 0.377 0.000 2.435 646 V HA 0.712 4.832 4.120 -0.000 0.000 0.290 646 V C 0.018 176.312 176.094 0.333 0.000 1.030 646 V CA -0.325 62.134 62.300 0.265 0.000 0.881 646 V CB 1.558 33.529 31.823 0.247 0.000 0.983 646 V HN 0.931 nan 8.190 nan 0.000 0.445 647 S N 2.817 118.663 115.700 0.244 0.000 2.634 647 S HA 0.968 5.438 4.470 -0.000 0.000 0.296 647 S C -0.535 174.099 174.600 0.058 0.000 1.104 647 S CA -0.677 57.677 58.200 0.258 0.000 0.920 647 S CB 2.314 65.733 63.200 0.366 0.000 1.111 647 S HN 1.328 nan 8.310 nan 0.000 0.493 648 A N 0.396 123.203 122.820 -0.022 0.000 2.429 648 A HA 0.848 5.168 4.320 -0.000 0.000 0.289 648 A C -0.313 177.128 177.584 -0.238 0.000 1.043 648 A CA -0.544 51.435 52.037 -0.096 0.000 0.722 648 A CB 0.878 19.928 19.000 0.083 0.000 1.243 648 A HN 1.474 nan 8.150 nan 0.000 0.415 649 A N 1.164 123.789 122.820 -0.326 0.000 2.269 649 A HA 0.766 5.086 4.320 -0.000 0.000 0.319 649 A C 1.099 178.629 177.584 -0.090 0.000 1.110 649 A CA 0.042 51.924 52.037 -0.257 0.000 0.847 649 A CB 0.767 19.700 19.000 -0.112 0.000 1.161 649 A HN 2.110 nan 8.150 nan 0.000 0.497 650 A N 0.148 122.924 122.820 -0.072 0.000 2.235 650 A HA 0.069 4.389 4.320 -0.000 0.000 0.208 650 A C 1.077 178.660 177.584 -0.002 0.000 1.172 650 A CA 1.210 53.222 52.037 -0.041 0.000 0.786 650 A CB -0.509 18.456 19.000 -0.058 0.000 0.804 650 A HN 0.808 nan 8.150 nan 0.000 0.479 651 D N -1.477 118.938 120.400 0.025 0.000 2.363 651 D HA 0.157 4.797 4.640 -0.000 0.000 0.226 651 D C 1.154 177.486 176.300 0.053 0.000 1.020 651 D CA 0.920 54.958 54.000 0.063 0.000 0.892 651 D CB -0.501 40.365 40.800 0.110 0.000 0.900 651 D HN 0.694 nan 8.370 nan 0.000 0.531 652 G N -0.366 108.419 108.800 -0.025 0.000 2.176 652 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.232 652 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.232 652 G C 0.203 174.940 174.900 -0.273 0.000 0.986 652 G CA 0.231 45.279 45.100 -0.088 0.000 0.643 652 G HN 0.588 nan 8.290 nan 0.000 0.522 653 S N -0.162 115.344 115.700 -0.323 0.000 2.586 653 S HA 0.777 5.247 4.470 -0.000 0.000 0.274 653 S C 0.136 174.647 174.600 -0.149 0.000 1.281 653 S CA -0.420 57.484 58.200 -0.494 0.000 1.035 653 S CB 0.525 63.542 63.200 -0.306 0.000 0.962 653 S HN 0.528 nan 8.310 nan 0.000 0.512 654 I N 4.089 124.561 120.570 -0.163 0.000 2.499 654 I HA 0.526 4.696 4.170 -0.000 0.000 0.288 654 I C -0.026 176.029 176.117 -0.103 0.000 1.048 654 I CA -0.585 60.653 61.300 -0.103 0.000 1.062 654 I CB 1.937 39.830 38.000 -0.178 0.000 1.238 654 I HN 0.484 nan 8.210 nan 0.000 0.426 655 R N 3.259 123.692 120.500 -0.111 0.000 2.750 655 R HA 0.784 5.124 4.340 -0.000 0.000 0.281 655 R C -0.521 175.363 176.300 -0.692 0.000 0.972 655 R CA -1.012 54.826 56.100 -0.437 0.000 0.912 655 R CB 2.618 32.561 30.300 -0.596 0.000 1.187 655 R HN 0.810 nan 8.270 nan 0.000 0.464 656 G N 1.443 109.362 108.800 -1.468 0.000 2.566 656 G HA2 0.606 4.566 3.960 -0.000 0.000 0.311 656 G HA3 0.606 4.566 3.960 -0.000 0.000 0.311 656 G C -1.737 172.453 174.900 -1.183 0.000 1.322 656 G CA -0.481 43.611 45.100 -1.680 0.000 0.969 656 G HN 0.417 nan 8.290 nan 0.000 0.490 657 W N 0.310 121.443 121.300 -0.279 0.000 2.864 657 W HA 0.471 5.131 4.660 -0.000 0.000 0.343 657 W C -0.288 176.247 176.519 0.028 0.000 1.109 657 W CA -1.032 56.261 57.345 -0.086 0.000 1.192 657 W CB 1.388 30.867 29.460 0.032 0.000 1.426 657 W HN 0.613 nan 8.180 nan 0.000 0.529 658 D N 0.732 121.254 120.400 0.204 0.000 2.493 658 D HA 0.264 4.904 4.640 -0.000 0.000 0.240 658 D C 1.144 177.329 176.300 -0.193 0.000 1.142 658 D CA 0.602 54.609 54.000 0.012 0.000 0.872 658 D CB 1.325 42.083 40.800 -0.069 0.000 1.173 658 D HN 0.503 nan 8.370 nan 0.000 0.467 659 A N 4.030 126.729 122.820 -0.201 0.000 2.168 659 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 659 A C 1.768 179.067 177.584 -0.476 0.000 1.152 659 A CA 0.705 52.598 52.037 -0.239 0.000 0.716 659 A CB -0.190 18.746 19.000 -0.106 0.000 0.794 659 A HN 0.661 nan 8.150 nan 0.000 0.465 660 N N -0.091 118.294 118.700 -0.523 0.000 2.622 660 N HA -0.067 4.673 4.740 -0.000 0.000 0.213 660 N C 0.852 176.048 175.510 -0.523 0.000 1.037 660 N CA 1.551 54.357 53.050 -0.407 0.000 0.999 660 N CB 0.164 38.525 38.487 -0.210 0.000 1.342 660 N HN 0.572 nan 8.380 nan 0.000 0.465 661 D N -1.580 118.554 120.400 -0.443 0.000 2.389 661 D HA 0.028 4.668 4.640 -0.000 0.000 0.206 661 D C -0.275 175.871 176.300 -0.256 0.000 1.055 661 D CA 0.088 53.925 54.000 -0.272 0.000 0.856 661 D CB -0.215 40.505 40.800 -0.134 0.000 0.957 661 D HN 0.306 nan 8.370 nan 0.000 0.509 662 Y N -0.036 120.212 120.300 -0.086 0.000 4.569 662 Y HA -0.285 4.265 4.550 -0.000 0.000 0.237 662 Y C 0.306 176.265 175.900 0.097 0.000 1.090 662 Y CA 0.319 58.400 58.100 -0.032 0.000 2.052 662 Y CB -2.837 35.471 38.460 -0.253 0.000 1.621 662 Y HN 0.207 nan 8.280 nan 0.000 0.682 663 S N 0.811 116.579 115.700 0.114 0.000 2.564 663 S HA 0.457 4.927 4.470 -0.000 0.000 0.278 663 S C 0.396 175.071 174.600 0.125 0.000 1.333 663 S CA -0.982 57.284 58.200 0.110 0.000 1.048 663 S CB 1.014 64.223 63.200 0.015 0.000 0.900 663 S HN 0.330 nan 8.310 nan 0.000 0.505 664 R N 1.915 122.438 120.500 0.038 0.000 2.488 664 R HA 0.028 4.368 4.340 -0.000 0.000 0.317 664 R C 0.514 176.689 176.300 -0.208 0.000 0.941 664 R CA -0.033 55.931 56.100 -0.226 0.000 1.076 664 R CB 0.198 30.343 30.300 -0.258 0.000 0.917 664 R HN 0.583 nan 8.270 nan 0.000 0.407 665 K N 2.721 122.926 120.400 -0.324 0.000 2.399 665 K HA 0.151 4.471 4.320 -0.000 0.000 0.196 665 K C -0.145 176.342 176.600 -0.189 0.000 1.103 665 K CA 0.518 56.704 56.287 -0.168 0.000 0.986 665 K CB 0.541 33.074 32.500 0.054 0.000 0.952 665 K HN 0.523 nan 8.250 nan 0.000 0.541 666 F N -1.264 118.424 119.950 -0.437 0.000 2.740 666 F HA 0.445 4.972 4.527 -0.000 0.000 0.312 666 F C -1.449 173.943 175.800 -0.681 0.000 1.121 666 F CA -1.667 55.993 58.000 -0.567 0.000 0.977 666 F CB 0.531 39.177 39.000 -0.590 0.000 1.265 666 F HN -0.147 nan 8.300 nan 0.000 0.443 667 S N 0.808 116.209 115.700 -0.498 0.000 2.540 667 S HA 0.834 5.304 4.470 -0.000 0.000 0.275 667 S C -1.953 172.249 174.600 -0.663 0.000 1.123 667 S CA -0.860 57.054 58.200 -0.477 0.000 0.907 667 S CB 1.766 64.756 63.200 -0.350 0.000 1.081 667 S HN 0.750 nan 8.310 nan 0.000 0.476 668 Y N -0.145 120.064 120.300 -0.150 0.000 2.442 668 Y HA 0.525 5.075 4.550 -0.000 0.000 0.344 668 Y C -0.277 175.564 175.900 -0.098 0.000 0.976 668 Y CA -0.817 57.170 58.100 -0.189 0.000 1.040 668 Y CB 1.952 40.051 38.460 -0.603 0.000 1.228 668 Y HN 0.781 nan 8.280 nan 0.000 0.451 669 H N 1.162 120.332 119.070 0.167 0.000 2.539 669 H HA 0.341 4.897 4.556 -0.000 0.000 0.332 669 H C -0.933 174.586 175.328 0.318 0.000 1.031 669 H CA -0.984 55.173 56.048 0.181 0.000 1.206 669 H CB 0.510 30.330 29.762 0.096 0.000 1.446 669 H HN 0.558 nan 8.280 nan 0.000 0.496 670 H N 2.136 121.306 119.070 0.167 0.000 3.107 670 H HA -0.044 4.512 4.556 -0.000 0.000 0.301 670 H C 1.295 176.719 175.328 0.160 0.000 0.981 670 H CA 0.363 56.509 56.048 0.163 0.000 1.443 670 H CB 0.452 30.286 29.762 0.120 0.000 1.479 670 H HN 0.768 nan 8.280 nan 0.000 0.564 671 T N 2.329 117.008 114.554 0.208 0.000 2.714 671 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 671 T C 1.600 176.373 174.700 0.121 0.000 1.036 671 T CA 1.910 64.091 62.100 0.135 0.000 1.148 671 T CB -0.122 68.791 68.868 0.074 0.000 0.856 671 T HN 0.733 nan 8.240 nan 0.000 0.462 672 N N 1.491 120.271 118.700 0.133 0.000 2.398 672 N HA 0.067 4.807 4.740 -0.000 0.000 0.188 672 N C 0.684 176.265 175.510 0.119 0.000 1.122 672 N CA 0.086 53.201 53.050 0.107 0.000 0.866 672 N CB -0.864 37.675 38.487 0.086 0.000 0.970 672 N HN 0.472 nan 8.380 nan 0.000 0.462 673 L N -0.381 120.939 121.223 0.161 0.000 4.001 673 L HA -0.253 4.086 4.340 -0.000 0.000 0.413 673 L C -0.260 176.675 176.870 0.108 0.000 1.185 673 L CA 0.627 55.559 54.840 0.153 0.000 0.963 673 L CB -2.811 39.326 42.059 0.131 0.000 1.976 673 L HN 0.432 nan 8.230 nan 0.000 0.939 674 S N -0.999 114.764 115.700 0.105 0.000 2.672 674 S HA 0.796 5.266 4.470 -0.000 0.000 0.276 674 S C 0.573 175.198 174.600 0.042 0.000 1.207 674 S CA -0.367 57.877 58.200 0.073 0.000 1.002 674 S CB 2.016 65.264 63.200 0.079 0.000 0.998 674 S HN 0.482 nan 8.310 nan 0.000 0.542 675 A N 1.861 124.700 122.820 0.031 0.000 2.524 675 A HA 0.361 4.681 4.320 -0.000 0.000 0.250 675 A C 0.338 177.921 177.584 -0.003 0.000 1.078 675 A CA -0.463 51.579 52.037 0.008 0.000 0.761 675 A CB -0.605 18.405 19.000 0.017 0.000 1.012 675 A HN 0.703 nan 8.150 nan 0.000 0.500 676 I N 3.901 124.444 120.570 -0.045 0.000 2.505 676 I HA 0.024 4.194 4.170 -0.000 0.000 0.287 676 I C 1.314 177.468 176.117 0.061 0.000 1.104 676 I CA 0.722 61.993 61.300 -0.049 0.000 1.387 676 I CB -0.128 37.822 38.000 -0.083 0.000 1.404 676 I HN 0.728 nan 8.210 nan 0.000 0.528 677 T N 3.577 118.192 114.554 0.102 0.000 3.051 677 T HA 0.024 4.374 4.350 -0.000 0.000 0.255 677 T C 0.834 175.646 174.700 0.187 0.000 1.085 677 T CA 0.677 62.866 62.100 0.148 0.000 1.109 677 T CB 0.265 69.225 68.868 0.154 0.000 0.921 677 T HN 0.720 nan 8.240 nan 0.000 0.488 678 T N 0.843 115.529 114.554 0.220 0.000 2.893 678 T HA 0.531 4.881 4.350 -0.000 0.000 0.337 678 T C -2.254 172.661 174.700 0.359 0.000 1.587 678 T CA -0.920 61.322 62.100 0.237 0.000 1.066 678 T CB 0.978 69.991 68.868 0.242 0.000 1.414 678 T HN 0.170 nan 8.240 nan 0.000 0.488 679 F N 1.944 122.028 119.950 0.223 0.000 2.686 679 F HA 0.860 5.386 4.527 -0.000 0.000 0.311 679 F C -2.417 173.579 175.800 0.327 0.000 1.128 679 F CA -1.309 56.846 58.000 0.258 0.000 0.946 679 F CB 1.129 40.241 39.000 0.187 0.000 1.336 679 F HN 0.710 nan 8.300 nan 0.000 0.457 680 Y N 1.763 122.326 120.300 0.437 0.000 2.534 680 Y HA 0.742 5.292 4.550 -0.000 0.000 0.345 680 Y C -1.402 174.815 175.900 0.528 0.000 1.031 680 Y CA -0.895 57.361 58.100 0.261 0.000 1.022 680 Y CB 2.284 40.848 38.460 0.174 0.000 1.292 680 Y HN 0.793 nan 8.280 nan 0.000 0.459 681 V N 1.229 121.208 119.914 0.108 0.000 3.007 681 V HA 0.908 5.028 4.120 -0.000 0.000 0.311 681 V C -0.691 175.519 176.094 0.193 0.000 1.120 681 V CA -0.523 61.982 62.300 0.342 0.000 0.980 681 V CB 1.124 33.177 31.823 0.383 0.000 1.033 681 V HN 0.843 nan 8.190 nan 0.000 0.429 682 S N -0.479 115.459 115.700 0.397 0.000 2.811 682 S HA 0.501 4.970 4.470 -0.000 0.000 0.311 682 S C 0.186 174.996 174.600 0.349 0.000 1.152 682 S CA -0.346 58.029 58.200 0.291 0.000 0.864 682 S CB 1.825 65.218 63.200 0.321 0.000 1.226 682 S HN 0.678 nan 8.310 nan 0.000 0.541 683 D N 0.825 121.388 120.400 0.271 0.000 2.311 683 D HA -0.044 4.596 4.640 -0.000 0.000 0.212 683 D C 0.777 177.289 176.300 0.355 0.000 0.972 683 D CA 1.029 55.214 54.000 0.308 0.000 0.887 683 D CB -0.279 40.566 40.800 0.076 0.000 0.915 683 D HN 0.436 nan 8.370 nan 0.000 0.497 684 N N -0.554 118.284 118.700 0.230 0.000 2.407 684 N HA 0.072 4.812 4.740 -0.000 0.000 0.182 684 N C 0.286 175.901 175.510 0.176 0.000 1.079 684 N CA 0.113 53.277 53.050 0.190 0.000 0.882 684 N CB 1.796 40.307 38.487 0.039 0.000 1.106 684 N HN 0.100 nan 8.380 nan 0.000 0.461 685 I N 1.219 121.854 120.570 0.109 0.000 2.769 685 I HA 0.324 4.494 4.170 -0.000 0.000 0.298 685 I C -1.145 175.046 176.117 0.123 0.000 1.128 685 I CA -0.803 60.487 61.300 -0.016 0.000 1.031 685 I CB 2.736 40.426 38.000 -0.518 0.000 1.235 685 I HN -0.178 nan 8.210 nan 0.000 0.423 686 L N 6.637 127.889 121.223 0.048 0.000 2.381 686 L HA 0.686 5.026 4.340 -0.000 0.000 0.274 686 L C -1.283 175.714 176.870 0.213 0.000 0.988 686 L CA -0.426 54.510 54.840 0.160 0.000 0.824 686 L CB 1.802 43.809 42.059 -0.087 0.000 1.263 686 L HN 0.266 nan 8.230 nan 0.000 0.410 687 V N 4.034 124.166 119.914 0.363 0.000 2.483 687 V HA 0.793 4.912 4.120 -0.000 0.000 0.297 687 V C -0.488 175.793 176.094 0.312 0.000 1.027 687 V CA -0.232 62.195 62.300 0.212 0.000 0.855 687 V CB 1.776 33.769 31.823 0.282 0.000 0.995 687 V HN 0.925 nan 8.190 nan 0.000 0.424 688 S N 2.872 118.687 115.700 0.191 0.000 2.549 688 S HA 0.954 5.423 4.470 -0.000 0.000 0.280 688 S C -0.335 174.479 174.600 0.356 0.000 1.109 688 S CA -0.494 57.926 58.200 0.366 0.000 0.905 688 S CB 2.266 65.729 63.200 0.438 0.000 1.081 688 S HN 1.128 nan 8.310 nan 0.000 0.477 689 G N 0.263 109.303 108.800 0.400 0.000 2.571 689 G HA2 0.740 4.700 3.960 -0.000 0.000 0.304 689 G HA3 0.740 4.700 3.960 -0.000 0.000 0.304 689 G C -0.759 174.316 174.900 0.292 0.000 1.314 689 G CA -0.428 44.928 45.100 0.426 0.000 0.975 689 G HN 1.491 nan 8.290 nan 0.000 0.485 690 S N -0.106 115.773 115.700 0.299 0.000 2.688 690 S HA 0.557 5.027 4.470 -0.000 0.000 0.275 690 S C -0.605 174.061 174.600 0.109 0.000 1.175 690 S CA -0.737 57.567 58.200 0.174 0.000 0.818 690 S CB 1.583 64.909 63.200 0.211 0.000 1.157 690 S HN 0.824 nan 8.310 nan 0.000 0.482 691 E N 0.612 120.840 120.200 0.047 0.000 2.585 691 E HA 0.019 4.369 4.350 -0.000 0.000 0.252 691 E C 0.046 176.666 176.600 0.033 0.000 0.981 691 E CA 1.074 57.473 56.400 -0.002 0.000 0.943 691 E CB -0.649 29.057 29.700 0.009 0.000 0.923 691 E HN 0.737 nan 8.360 nan 0.000 0.486 692 N N 2.374 121.075 118.700 0.001 0.000 2.936 692 N HA -0.226 4.514 4.740 -0.000 0.000 0.236 692 N C -1.000 174.533 175.510 0.039 0.000 0.930 692 N CA 0.979 54.036 53.050 0.011 0.000 0.966 692 N CB -0.397 38.099 38.487 0.014 0.000 1.090 692 N HN 0.589 nan 8.380 nan 0.000 0.592 693 Q N -0.192 119.660 119.800 0.087 0.000 2.304 693 Q HA 0.527 4.867 4.340 -0.000 0.000 0.270 693 Q C -1.662 174.450 176.000 0.186 0.000 1.035 693 Q CA -0.479 55.374 55.803 0.083 0.000 0.781 693 Q CB 2.182 30.940 28.738 0.032 0.000 1.261 693 Q HN 0.180 nan 8.270 nan 0.000 0.444 694 F N 2.611 122.526 119.950 -0.059 0.000 2.579 694 F HA 0.435 4.962 4.527 -0.000 0.000 0.325 694 F C -1.314 174.429 175.800 -0.095 0.000 1.162 694 F CA -0.373 57.615 58.000 -0.019 0.000 0.946 694 F CB 1.307 40.301 39.000 -0.010 0.000 1.211 694 F HN 0.471 nan 8.300 nan 0.000 0.447 695 N N 6.127 124.493 118.700 -0.556 0.000 2.258 695 N HA 0.664 5.404 4.740 -0.000 0.000 0.299 695 N C -1.533 173.550 175.510 -0.713 0.000 1.047 695 N CA -0.723 51.935 53.050 -0.653 0.000 0.814 695 N CB 2.543 40.550 38.487 -0.799 0.000 1.413 695 N HN 0.383 nan 8.380 nan 0.000 0.478 696 I N 2.498 122.688 120.570 -0.633 0.000 2.389 696 I HA 0.336 4.506 4.170 -0.000 0.000 0.288 696 I C -1.141 174.655 176.117 -0.534 0.000 0.999 696 I CA -0.596 60.467 61.300 -0.396 0.000 1.129 696 I CB 0.720 38.658 38.000 -0.103 0.000 1.288 696 I HN 0.425 nan 8.210 nan 0.000 0.444 697 Y N 4.183 124.309 120.300 -0.290 0.000 2.393 697 Y HA 0.350 4.899 4.550 -0.000 0.000 0.341 697 Y C 0.316 176.030 175.900 -0.310 0.000 0.988 697 Y CA -0.986 56.869 58.100 -0.407 0.000 1.078 697 Y CB 1.215 39.196 38.460 -0.798 0.000 1.203 697 Y HN 0.466 nan 8.280 nan 0.000 0.453 698 N N 2.945 121.545 118.700 -0.167 0.000 2.406 698 N HA 0.049 4.789 4.740 -0.000 0.000 0.251 698 N C 0.021 175.396 175.510 -0.224 0.000 1.069 698 N CA -0.022 52.854 53.050 -0.290 0.000 0.947 698 N CB 1.000 39.128 38.487 -0.599 0.000 1.111 698 N HN 0.663 nan 8.380 nan 0.000 0.497 699 L N 4.472 125.615 121.223 -0.133 0.000 2.156 699 L HA 0.108 4.448 4.340 -0.000 0.000 0.208 699 L C 2.237 179.089 176.870 -0.029 0.000 1.095 699 L CA 1.127 55.885 54.840 -0.136 0.000 0.770 699 L CB -0.665 41.335 42.059 -0.098 0.000 0.914 699 L HN 0.578 nan 8.230 nan 0.000 0.439 700 R N -0.565 119.935 120.500 0.001 0.000 2.080 700 R HA -0.156 4.184 4.340 -0.000 0.000 0.236 700 R C 2.367 178.640 176.300 -0.044 0.000 1.137 700 R CA 1.865 57.972 56.100 0.013 0.000 0.943 700 R CB -0.536 29.782 30.300 0.030 0.000 0.846 700 R HN 0.500 nan 8.270 nan 0.000 0.431 701 S N -0.878 114.741 115.700 -0.135 0.000 2.496 701 S HA 0.071 4.541 4.470 -0.000 0.000 0.224 701 S C 1.405 175.971 174.600 -0.057 0.000 0.996 701 S CA 0.434 58.573 58.200 -0.102 0.000 0.927 701 S CB 0.485 63.593 63.200 -0.154 0.000 0.774 701 S HN 0.538 nan 8.310 nan 0.000 0.524 702 G N 0.927 109.700 108.800 -0.044 0.000 2.249 702 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.273 702 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.273 702 G C -0.163 174.804 174.900 0.112 0.000 1.036 702 G CA 0.609 45.754 45.100 0.076 0.000 0.824 702 G HN 0.661 nan 8.290 nan 0.000 0.504 703 K N -1.205 119.197 120.400 0.004 0.000 2.328 703 K HA 0.706 5.026 4.320 -0.000 0.000 0.246 703 K C -0.142 176.432 176.600 -0.043 0.000 0.955 703 K CA -1.213 55.074 56.287 -0.001 0.000 0.817 703 K CB 1.560 34.023 32.500 -0.061 0.000 1.208 703 K HN 0.090 nan 8.250 nan 0.000 0.432 704 L N 3.355 124.545 121.223 -0.054 0.000 2.367 704 L HA 0.126 4.466 4.340 -0.000 0.000 0.275 704 L C 0.257 176.984 176.870 -0.239 0.000 1.129 704 L CA 0.508 55.220 54.840 -0.214 0.000 0.839 704 L CB 1.233 43.178 42.059 -0.191 0.000 1.133 704 L HN 0.612 nan 8.230 nan 0.000 0.453 705 V N 4.078 123.799 119.914 -0.321 0.000 2.403 705 V HA 0.130 4.250 4.120 -0.000 0.000 0.239 705 V C 0.460 176.259 176.094 -0.491 0.000 1.041 705 V CA 0.555 62.626 62.300 -0.381 0.000 1.051 705 V CB -0.382 31.214 31.823 -0.377 0.000 0.704 705 V HN 0.730 nan 8.190 nan 0.000 0.472 706 H N -1.695 117.296 119.070 -0.132 0.000 2.768 706 H HA 0.686 5.242 4.556 -0.000 0.000 0.371 706 H C 0.286 175.508 175.328 -0.177 0.000 1.151 706 H CA 0.081 56.069 56.048 -0.100 0.000 1.165 706 H CB 2.284 32.035 29.762 -0.018 0.000 1.722 706 H HN 0.137 nan 8.280 nan 0.000 0.543 707 A N 1.483 124.306 122.820 0.005 0.000 2.358 707 A HA 0.101 4.421 4.320 -0.000 0.000 0.223 707 A C 0.717 178.295 177.584 -0.009 0.000 1.218 707 A CA 0.139 52.133 52.037 -0.073 0.000 0.942 707 A CB 0.046 18.990 19.000 -0.093 0.000 1.005 707 A HN 0.690 nan 8.150 nan 0.000 0.514 708 N N -0.900 117.813 118.700 0.021 0.000 2.143 708 N HA 0.255 4.995 4.740 -0.000 0.000 0.229 708 N C 0.884 176.384 175.510 -0.017 0.000 1.294 708 N CA -0.045 53.006 53.050 0.002 0.000 0.883 708 N CB 0.344 38.816 38.487 -0.025 0.000 1.148 708 N HN 0.331 nan 8.380 nan 0.000 0.511 709 I N 0.069 120.642 120.570 0.004 0.000 2.194 709 I HA -0.219 3.951 4.170 -0.000 0.000 0.246 709 I C 0.601 176.669 176.117 -0.083 0.000 1.093 709 I CA 1.204 62.465 61.300 -0.065 0.000 1.355 709 I CB 0.038 38.025 38.000 -0.021 0.000 1.046 709 I HN 0.154 nan 8.210 nan 0.000 0.413 710 L N 0.565 121.769 121.223 -0.032 0.000 2.928 710 L HA 0.164 4.504 4.340 -0.000 0.000 0.246 710 L C 1.708 178.517 176.870 -0.101 0.000 1.239 710 L CA 0.374 55.109 54.840 -0.175 0.000 1.035 710 L CB -0.899 40.870 42.059 -0.483 0.000 1.360 710 L HN 0.121 nan 8.230 nan 0.000 0.529 711 K N 1.090 121.458 120.400 -0.053 0.000 2.192 711 K HA -0.281 4.039 4.320 -0.000 0.000 0.214 711 K C 1.185 177.743 176.600 -0.071 0.000 1.046 711 K CA 2.404 58.660 56.287 -0.051 0.000 0.937 711 K CB 0.175 32.641 32.500 -0.056 0.000 0.734 711 K HN 0.535 nan 8.250 nan 0.000 0.473 712 D N -0.915 119.423 120.400 -0.104 0.000 2.340 712 D HA 0.040 4.680 4.640 -0.000 0.000 0.220 712 D C 0.149 176.384 176.300 -0.107 0.000 1.039 712 D CA 0.210 54.148 54.000 -0.105 0.000 0.866 712 D CB -0.103 40.620 40.800 -0.130 0.000 0.913 712 D HN 0.237 nan 8.370 nan 0.000 0.523 713 A N 0.718 123.466 122.820 -0.120 0.000 2.371 713 A HA 0.230 4.550 4.320 -0.000 0.000 0.257 713 A C 0.700 178.228 177.584 -0.093 0.000 1.089 713 A CA -0.384 51.581 52.037 -0.120 0.000 0.794 713 A CB 0.566 19.462 19.000 -0.173 0.000 1.029 713 A HN -0.007 nan 8.150 nan 0.000 0.488 714 D N 0.017 120.362 120.400 -0.092 0.000 2.327 714 D HA 0.058 4.698 4.640 -0.000 0.000 0.205 714 D C -0.043 176.155 176.300 -0.171 0.000 0.989 714 D CA 0.977 54.923 54.000 -0.089 0.000 0.873 714 D CB 0.381 41.154 40.800 -0.045 0.000 0.955 714 D HN 0.567 nan 8.370 nan 0.000 0.515 715 Q N 0.462 120.071 119.800 -0.318 0.000 2.340 715 Q HA 0.344 4.684 4.340 -0.000 0.000 0.276 715 Q C -0.952 174.659 176.000 -0.649 0.000 1.048 715 Q CA -0.548 54.890 55.803 -0.608 0.000 0.832 715 Q CB 3.174 31.194 28.738 -1.198 0.000 1.373 715 Q HN -0.028 nan 8.270 nan 0.000 0.409 716 I N 1.489 121.788 120.570 -0.451 0.000 2.330 716 I HA 0.195 4.365 4.170 -0.000 0.000 0.286 716 I C 0.423 176.445 176.117 -0.158 0.000 1.025 716 I CA -0.222 60.940 61.300 -0.231 0.000 1.197 716 I CB 0.151 38.215 38.000 0.107 0.000 1.358 716 I HN 0.761 nan 8.210 nan 0.000 0.467 717 W N 3.624 124.970 121.300 0.076 0.000 2.576 717 W HA 0.065 4.725 4.660 -0.000 0.000 0.270 717 W C 1.016 177.576 176.519 0.069 0.000 1.255 717 W CA 0.076 57.452 57.345 0.051 0.000 1.314 717 W CB 0.370 29.837 29.460 0.012 0.000 1.101 717 W HN 0.531 nan 8.180 nan 0.000 0.595 718 S N -0.162 115.720 115.700 0.303 0.000 2.570 718 S HA 0.438 4.908 4.470 -0.000 0.000 0.286 718 S C -1.678 173.062 174.600 0.233 0.000 1.143 718 S CA -0.767 57.581 58.200 0.246 0.000 0.921 718 S CB 0.882 64.211 63.200 0.215 0.000 1.108 718 S HN -0.197 nan 8.310 nan 0.000 0.456 719 V N 4.782 124.858 119.914 0.270 0.000 2.789 719 V HA 0.842 4.962 4.120 -0.000 0.000 0.311 719 V C -1.292 174.952 176.094 0.251 0.000 1.073 719 V CA -0.446 62.045 62.300 0.319 0.000 0.921 719 V CB 2.082 34.200 31.823 0.492 0.000 1.009 719 V HN 0.945 nan 8.190 nan 0.000 0.426 720 N N 4.269 123.033 118.700 0.106 0.000 2.431 720 N HA 0.509 5.249 4.740 -0.000 0.000 0.275 720 N C -1.680 173.780 175.510 -0.083 0.000 1.091 720 N CA -0.229 52.580 53.050 -0.402 0.000 0.922 720 N CB 2.260 40.617 38.487 -0.216 0.000 1.666 720 N HN 0.606 nan 8.380 nan 0.000 0.484 721 F N 0.545 120.259 119.950 -0.393 0.000 2.613 721 F HA 0.731 5.258 4.527 -0.000 0.000 0.310 721 F C -1.077 174.817 175.800 0.156 0.000 1.085 721 F CA -0.747 57.343 58.000 0.149 0.000 0.945 721 F CB 1.756 40.949 39.000 0.320 0.000 1.298 721 F HN 0.133 nan 8.300 nan 0.000 0.455 722 K N 2.307 123.055 120.400 0.580 0.000 2.565 722 K HA 0.508 4.828 4.320 -0.000 0.000 0.251 722 K C 0.274 177.105 176.600 0.385 0.000 0.956 722 K CA 0.214 56.685 56.287 0.307 0.000 0.809 722 K CB 1.662 34.144 32.500 -0.029 0.000 1.267 722 K HN 1.293 nan 8.250 nan 0.000 0.438 723 G N 4.291 113.260 108.800 0.283 0.000 2.622 723 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.307 723 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.307 723 G C 0.161 175.335 174.900 0.457 0.000 1.226 723 G CA 0.959 46.203 45.100 0.239 0.000 0.997 723 G HN 0.673 nan 8.290 nan 0.000 0.551 724 K N 0.252 120.910 120.400 0.430 0.000 2.437 724 K HA 0.456 4.775 4.320 -0.000 0.000 0.198 724 K C 0.341 177.263 176.600 0.536 0.000 1.024 724 K CA 0.926 57.526 56.287 0.521 0.000 1.148 724 K CB 0.204 32.899 32.500 0.326 0.000 0.860 724 K HN 0.407 nan 8.250 nan 0.000 0.515 725 T N 1.600 116.505 114.554 0.585 0.000 2.791 725 T HA 0.367 4.717 4.350 -0.000 0.000 0.288 725 T C -1.328 173.715 174.700 0.572 0.000 0.999 725 T CA -0.786 61.603 62.100 0.481 0.000 0.952 725 T CB 1.142 70.261 68.868 0.418 0.000 0.938 725 T HN 0.062 nan 8.240 nan 0.000 0.444 726 L N 5.731 127.229 121.223 0.458 0.000 2.307 726 L HA 0.796 5.136 4.340 -0.000 0.000 0.284 726 L C -0.569 176.383 176.870 0.136 0.000 1.023 726 L CA -0.778 54.339 54.840 0.461 0.000 0.810 726 L CB 1.224 43.626 42.059 0.572 0.000 1.231 726 L HN 0.536 nan 8.230 nan 0.000 0.423 727 V N 2.399 122.336 119.914 0.038 0.000 2.656 727 V HA 1.042 5.162 4.120 -0.000 0.000 0.307 727 V C -0.434 175.657 176.094 -0.005 0.000 1.051 727 V CA -0.383 61.840 62.300 -0.129 0.000 0.893 727 V CB 1.093 32.669 31.823 -0.412 0.000 0.999 727 V HN 1.129 nan 8.190 nan 0.000 0.426 728 A N 3.228 126.015 122.820 -0.055 0.000 2.422 728 A HA 0.965 5.285 4.320 -0.000 0.000 0.302 728 A C -0.099 177.463 177.584 -0.038 0.000 1.041 728 A CA -0.278 51.752 52.037 -0.011 0.000 0.708 728 A CB 1.677 20.616 19.000 -0.101 0.000 1.257 728 A HN 2.266 nan 8.150 nan 0.000 0.414 729 A N 1.668 124.518 122.820 0.050 0.000 2.309 729 A HA 0.629 4.949 4.320 -0.000 0.000 0.290 729 A C 0.272 177.930 177.584 0.123 0.000 1.206 729 A CA 0.169 52.276 52.037 0.115 0.000 0.850 729 A CB -0.267 18.854 19.000 0.202 0.000 1.118 729 A HN 2.229 nan 8.150 nan 0.000 0.523 730 V N 0.297 120.260 119.914 0.081 0.000 3.141 730 V HA 0.798 4.918 4.120 -0.000 0.000 0.312 730 V C -0.547 175.563 176.094 0.027 0.000 1.157 730 V CA -0.840 61.407 62.300 -0.089 0.000 1.041 730 V CB 1.799 33.544 31.823 -0.131 0.000 1.071 730 V HN 0.905 nan 8.190 nan 0.000 0.441 731 E N 1.012 121.134 120.200 -0.129 0.000 2.199 731 E HA 0.555 4.905 4.350 -0.000 0.000 0.269 731 E C -1.272 175.385 176.600 0.095 0.000 0.899 731 E CA -0.860 55.588 56.400 0.080 0.000 0.772 731 E CB 1.981 31.735 29.700 0.090 0.000 1.155 731 E HN 0.764 nan 8.360 nan 0.000 0.408 732 K N 3.540 124.092 120.400 0.255 0.000 2.545 732 K HA 0.168 4.488 4.320 -0.000 0.000 0.252 732 K C -1.427 175.298 176.600 0.209 0.000 0.948 732 K CA -0.740 55.668 56.287 0.201 0.000 0.827 732 K CB 1.341 33.959 32.500 0.197 0.000 1.128 732 K HN 0.568 nan 8.250 nan 0.000 0.429 733 D N 2.234 122.701 120.400 0.113 0.000 2.740 733 D HA -0.206 4.434 4.640 -0.000 0.000 0.231 733 D C 0.865 177.229 176.300 0.107 0.000 1.194 733 D CA 1.937 55.994 54.000 0.096 0.000 0.673 733 D CB -1.137 39.712 40.800 0.082 0.000 0.995 733 D HN 1.087 nan 8.370 nan 0.000 0.411 734 G N -0.674 108.188 108.800 0.104 0.000 2.176 734 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.253 734 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.253 734 G C 0.078 175.008 174.900 0.050 0.000 0.979 734 G CA 0.503 45.651 45.100 0.080 0.000 0.641 734 G HN 0.601 nan 8.290 nan 0.000 0.530 735 Q N 0.199 120.023 119.800 0.040 0.000 2.413 735 Q HA 0.655 4.994 4.340 -0.000 0.000 0.276 735 Q C -0.330 175.541 176.000 -0.215 0.000 1.099 735 Q CA -0.280 55.439 55.803 -0.140 0.000 0.814 735 Q CB 2.199 30.780 28.738 -0.263 0.000 1.379 735 Q HN 0.671 nan 8.270 nan 0.000 0.436 736 S N 0.623 116.130 115.700 -0.321 0.000 2.549 736 S HA 0.822 5.292 4.470 -0.000 0.000 0.297 736 S C -0.834 173.440 174.600 -0.543 0.000 1.115 736 S CA -0.481 57.613 58.200 -0.176 0.000 1.059 736 S CB 0.638 63.874 63.200 0.060 0.000 1.046 736 S HN 0.437 nan 8.310 nan 0.000 0.506 737 F N 0.223 120.203 119.950 0.050 0.000 2.599 737 F HA 0.589 5.116 4.527 -0.000 0.000 0.311 737 F C -0.641 175.121 175.800 -0.065 0.000 1.076 737 F CA -1.132 56.857 58.000 -0.018 0.000 0.937 737 F CB 1.803 40.771 39.000 -0.053 0.000 1.282 737 F HN 0.583 nan 8.300 nan 0.000 0.460 738 L N 2.584 123.834 121.223 0.045 0.000 2.295 738 L HA 0.538 4.878 4.340 -0.000 0.000 0.285 738 L C -0.679 176.112 176.870 -0.133 0.000 1.035 738 L CA -0.085 54.659 54.840 -0.160 0.000 0.806 738 L CB 0.834 42.552 42.059 -0.569 0.000 1.214 738 L HN 0.433 nan 8.230 nan 0.000 0.426 739 E N 5.512 125.621 120.200 -0.152 0.000 2.158 739 E HA 0.401 4.751 4.350 -0.000 0.000 0.271 739 E C -1.078 175.412 176.600 -0.183 0.000 0.911 739 E CA -0.513 55.783 56.400 -0.173 0.000 0.767 739 E CB 2.428 31.997 29.700 -0.218 0.000 1.120 739 E HN 0.579 nan 8.360 nan 0.000 0.405 740 I N 1.717 122.184 120.570 -0.172 0.000 2.509 740 I HA 0.428 4.598 4.170 -0.000 0.000 0.293 740 I C -1.650 174.376 176.117 -0.152 0.000 1.020 740 I CA -0.592 60.613 61.300 -0.159 0.000 1.088 740 I CB 1.147 39.046 38.000 -0.169 0.000 1.267 740 I HN 0.387 nan 8.210 nan 0.000 0.430 741 L N 5.834 126.981 121.223 -0.127 0.000 2.365 741 L HA 0.571 4.911 4.340 -0.000 0.000 0.273 741 L C -1.230 175.502 176.870 -0.230 0.000 1.000 741 L CA -0.686 54.016 54.840 -0.230 0.000 0.819 741 L CB 1.849 43.765 42.059 -0.239 0.000 1.284 741 L HN 0.619 nan 8.230 nan 0.000 0.418 742 D N 1.990 122.171 120.400 -0.366 0.000 2.425 742 D HA 0.304 4.944 4.640 -0.000 0.000 0.240 742 D C -0.359 175.759 176.300 -0.303 0.000 1.080 742 D CA -0.319 53.567 54.000 -0.190 0.000 0.836 742 D CB 1.195 41.938 40.800 -0.095 0.000 1.125 742 D HN 0.237 nan 8.370 nan 0.000 0.525 743 F N 1.371 121.305 119.950 -0.027 0.000 2.639 743 F HA 0.139 4.666 4.527 -0.000 0.000 0.300 743 F C 1.496 177.246 175.800 -0.083 0.000 1.109 743 F CA -0.489 57.459 58.000 -0.086 0.000 1.335 743 F CB 0.050 38.641 39.000 -0.682 0.000 1.014 743 F HN 0.147 nan 8.300 nan 0.000 0.537 744 S N 0.000 115.820 115.700 0.201 0.000 2.498 744 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 744 S CA 0.000 58.356 58.200 0.260 0.000 1.107 744 S CB 0.000 63.378 63.200 0.297 0.000 0.593 744 S HN 0.000 nan 8.310 nan 0.000 0.517