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 3f2d_1_A DATA FIRST_RESID 233 DATA SEQUENCE VRRLETIVEE ERRVVVQGYV FDAEVSELKS GRTLLTMKIT DYTNSILVKM DATA SEQUENCE FSRDKEDAEL MSGVKKGMWV KVRGSVQNDT FVRDLVIIAN DLNEIAANER DATA SEQUENCE QDTAPEGEKR VELHLHTPMS QMDAVTSVTK LIEQAKKWGH PAIAVTDHAV DATA SEQUENCE VQSFPEAYSA AKKHGMKVIY GLEANIVDDX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXPFHVT LLAQNETGLK DATA SEQUENCE NLFKLVSLSH IQYFHRVPRI PRSVLVKHRD GLLVGSGCDK GELFDNXXXX DATA SEQUENCE XXXXVEDIAR FYDFLEVHPP DVYKPLXXXX XVKDEEMIKN IIRSIVALGE DATA SEQUENCE KLDIPVVATG NVHYLNPEDK IYRKILIHSQ GGANPLNRHE LPDVYFRTTN DATA SEQUENCE EMLDCFSFLG PEKAKEIVVD NTQKIASLIG DVKPIKDELY TPRIEGADEE DATA SEQUENCE IREMSYRRAK EIYGDPLPKL VEERLEKELK SIIGHGFAVI YLISHKLVKK DATA SEQUENCE SLDDGYLVGS RGSVGSSFVA TMTEITEVNP LPPHYVCPNC KHSEFFNDGS DATA SEQUENCE VGSGFDLPDK NCPRCGTKYK KDGHDIPFET FLGFKGDKVP DIDLNFSGEY DATA SEQUENCE QPRAHNYTKV LFGEDNVYRA GTIGTVADKT AYGFVKAYAS DHNLELRGAE DATA SEQUENCE IDRLAAGCTG VKRTTGQHPG GIIVVPDYME IYDFTPIQYP ADDTSSEWRT DATA SEQUENCE THFDFHSIHD NLLKLDILGH DDPTVIRMLQ DLSGIDPKTI PTDDPDVMGI DATA SEQUENCE FSSTEPLGVT PEQIMCNVGT IGIPEFGTRF VRQMLEETRP KTFSELVQIS DATA SEQUENCE GLSHGTDVWL GNAQELIQNG TCTLSEVIGC RDDIMVYLIY RGLEPSLAFK DATA SEQUENCE IMESVRKGKG LTPEFEAEMR KHDVPEWYID SCKKIKYMFP KAHAAAYVLM DATA SEQUENCE AVRIAYFKVH HPLLYYASYF TVRAEDFDLD AMIKGSAAIR KRIEEINAKG DATA SEQUENCE IQATAKEKSL LTVLEVALEM CERGFSFKNI DLYRSQATEF VIDGNSLIPP DATA SEQUENCE FNAIPGLGTN VAQAIVRARE EGEFLSKEDL QQRGKLSKTL LEYLESRGCL DATA SEQUENCE DSLPDHNQLS LF 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 233 V HA 0.000 nan 4.120 nan 0.000 0.244 233 V C 0.000 176.116 176.094 0.036 0.000 1.182 233 V CA 0.000 62.321 62.300 0.036 0.000 1.235 233 V CB 0.000 31.848 31.823 0.041 0.000 1.184 234 R N 4.854 125.375 120.500 0.035 0.000 2.340 234 R HA 0.509 4.851 4.340 0.003 0.000 0.300 234 R C 0.270 176.594 176.300 0.039 0.000 1.069 234 R CA -0.452 55.668 56.100 0.032 0.000 0.984 234 R CB 1.163 31.479 30.300 0.027 0.000 1.003 234 R HN 0.694 nan 8.270 nan 0.000 0.459 235 R N 1.773 122.296 120.500 0.038 0.000 2.590 235 R HA -0.012 4.330 4.340 0.003 0.000 0.274 235 R C 1.272 177.590 176.300 0.031 0.000 1.061 235 R CA -0.464 55.661 56.100 0.041 0.000 1.081 235 R CB 0.462 30.785 30.300 0.039 0.000 0.984 235 R HN 0.271 nan 8.270 nan 0.000 0.448 236 L N 2.989 124.230 121.223 0.029 0.000 2.275 236 L HA -0.135 4.206 4.340 0.003 0.000 0.215 236 L C 1.769 178.648 176.870 0.016 0.000 1.119 236 L CA 1.647 56.498 54.840 0.019 0.000 0.790 236 L CB -0.664 41.401 42.059 0.010 0.000 0.919 236 L HN 0.689 nan 8.230 nan 0.000 0.443 237 E N -2.039 118.171 120.200 0.017 0.000 2.418 237 E HA -0.133 4.219 4.350 0.003 0.000 0.197 237 E C 1.430 178.037 176.600 0.013 0.000 1.026 237 E CA 1.153 57.561 56.400 0.012 0.000 0.862 237 E CB -0.454 29.252 29.700 0.010 0.000 0.799 237 E HN 0.522 nan 8.360 nan 0.000 0.518 238 T N -1.091 113.472 114.554 0.015 0.000 3.086 238 T HA 0.190 4.541 4.350 0.003 0.000 0.250 238 T C 0.746 175.455 174.700 0.015 0.000 1.074 238 T CA -0.476 61.633 62.100 0.015 0.000 0.988 238 T CB -0.046 68.832 68.868 0.016 0.000 0.988 238 T HN -0.004 nan 8.240 nan 0.000 0.530 239 I N 3.919 124.498 120.570 0.015 0.000 2.347 239 I HA 0.191 4.363 4.170 0.003 0.000 0.294 239 I C 1.255 177.381 176.117 0.015 0.000 1.090 239 I CA -0.226 61.083 61.300 0.015 0.000 1.314 239 I CB 0.464 38.474 38.000 0.016 0.000 1.423 239 I HN 0.234 nan 8.210 nan 0.000 0.503 240 V N 2.793 122.715 119.914 0.014 0.000 3.426 240 V HA 0.368 4.490 4.120 0.003 0.000 0.271 240 V C 0.293 176.395 176.094 0.013 0.000 1.530 240 V CA -0.045 62.263 62.300 0.013 0.000 1.021 240 V CB -0.063 31.767 31.823 0.012 0.000 0.824 240 V HN 0.675 nan 8.190 nan 0.000 0.432 241 E N -0.058 120.150 120.200 0.013 0.000 2.446 241 E HA 0.537 4.888 4.350 0.003 0.000 0.276 241 E C -1.219 175.389 176.600 0.015 0.000 0.969 241 E CA -1.034 55.374 56.400 0.013 0.000 0.800 241 E CB 1.452 31.159 29.700 0.012 0.000 1.341 241 E HN 0.238 nan 8.360 nan 0.000 0.460 242 E N 0.926 121.135 120.200 0.015 0.000 2.467 242 E HA -0.032 4.319 4.350 0.003 0.000 0.264 242 E C -0.530 176.079 176.600 0.015 0.000 1.020 242 E CA 0.960 57.370 56.400 0.016 0.000 0.945 242 E CB 0.567 30.277 29.700 0.016 0.000 0.942 242 E HN 0.341 nan 8.360 nan 0.000 0.449 243 E N 0.140 120.349 120.200 0.016 0.000 2.388 243 E HA 0.235 4.586 4.350 0.003 0.000 0.289 243 E C 0.408 177.017 176.600 0.015 0.000 0.944 243 E CA -0.197 56.212 56.400 0.015 0.000 0.792 243 E CB 0.849 30.558 29.700 0.015 0.000 1.239 243 E HN 0.451 nan 8.360 nan 0.000 0.412 244 R N 3.168 123.676 120.500 0.013 0.000 2.083 244 R HA -0.006 4.336 4.340 0.003 0.000 0.237 244 R C 1.229 177.538 176.300 0.015 0.000 1.137 244 R CA 1.973 58.081 56.100 0.013 0.000 0.951 244 R CB -0.284 30.023 30.300 0.011 0.000 0.851 244 R HN 0.459 nan 8.270 nan 0.000 0.434 245 R N -0.413 120.096 120.500 0.015 0.000 2.508 245 R HA 0.424 4.766 4.340 0.003 0.000 0.283 245 R C -1.801 174.509 176.300 0.017 0.000 1.120 245 R CA 0.048 56.158 56.100 0.016 0.000 0.958 245 R CB 2.002 32.311 30.300 0.015 0.000 1.215 245 R HN 0.416 nan 8.270 nan 0.000 0.427 246 V N 0.770 120.695 119.914 0.019 0.000 3.007 246 V HA 0.715 4.837 4.120 0.003 0.000 0.311 246 V C -0.890 175.217 176.094 0.022 0.000 1.120 246 V CA -0.965 61.346 62.300 0.020 0.000 0.980 246 V CB 1.968 33.803 31.823 0.020 0.000 1.033 246 V HN 0.396 nan 8.190 nan 0.000 0.429 247 V N 3.691 123.620 119.914 0.024 0.000 2.459 247 V HA 0.910 5.032 4.120 0.003 0.000 0.295 247 V C -0.827 175.287 176.094 0.033 0.000 1.029 247 V CA -0.141 62.176 62.300 0.028 0.000 0.874 247 V CB 1.591 33.431 31.823 0.028 0.000 0.985 247 V HN 0.993 nan 8.190 nan 0.000 0.438 248 V N 5.856 125.792 119.914 0.036 0.000 2.971 248 V HA 0.549 4.671 4.120 0.003 0.000 0.309 248 V C -0.553 175.577 176.094 0.060 0.000 1.130 248 V CA -0.578 61.748 62.300 0.042 0.000 0.964 248 V CB 2.354 34.193 31.823 0.027 0.000 1.029 248 V HN 1.009 nan 8.190 nan 0.000 0.427 249 Q N 0.699 120.551 119.800 0.086 0.000 2.351 249 Q HA 0.858 5.200 4.340 0.003 0.000 0.273 249 Q C -0.272 175.796 176.000 0.113 0.000 1.077 249 Q CA -0.427 55.463 55.803 0.144 0.000 0.843 249 Q CB 2.547 31.418 28.738 0.222 0.000 1.367 249 Q HN 1.083 nan 8.270 nan 0.000 0.449 250 G N 0.409 109.273 108.800 0.107 0.000 2.384 250 G HA2 0.073 4.035 3.960 0.003 0.000 0.300 250 G HA3 0.073 4.035 3.960 0.003 0.000 0.300 250 G C -2.330 172.266 174.900 -0.507 0.000 1.582 250 G CA -0.904 44.091 45.100 -0.175 0.000 0.875 250 G HN 0.499 nan 8.290 nan 0.000 0.628 251 Y N 1.668 121.231 120.300 -1.229 0.000 2.544 251 Y HA 0.373 4.924 4.550 0.003 0.000 0.330 251 Y C 0.908 176.523 175.900 -0.476 0.000 1.136 251 Y CA 0.245 57.634 58.100 -1.184 0.000 1.417 251 Y CB 1.182 38.977 38.460 -1.107 0.000 1.229 251 Y HN 0.821 nan 8.280 nan 0.000 0.532 252 V N 9.041 128.547 119.914 -0.680 0.000 2.389 252 V HA 0.160 4.282 4.120 0.003 0.000 0.264 252 V C -0.138 175.611 176.094 -0.575 0.000 1.049 252 V CA -0.202 61.790 62.300 -0.515 0.000 0.932 252 V CB -0.703 30.886 31.823 -0.390 0.000 1.011 252 V HN 0.813 nan 8.190 nan 0.000 0.475 253 F N 2.975 122.748 119.950 -0.295 0.000 2.664 253 F HA 0.690 5.219 4.527 0.003 0.000 0.303 253 F C 0.060 175.812 175.800 -0.080 0.000 1.092 253 F CA -0.619 57.315 58.000 -0.110 0.000 1.305 253 F CB -0.035 39.053 39.000 0.146 0.000 1.054 253 F HN 0.548 nan 8.300 nan 0.000 0.565 254 D N 0.683 120.816 120.400 -0.446 0.000 2.787 254 D HA 0.622 5.264 4.640 0.003 0.000 0.215 254 D C -1.637 174.494 176.300 -0.283 0.000 1.246 254 D CA -0.270 53.553 54.000 -0.294 0.000 0.798 254 D CB 1.969 42.588 40.800 -0.302 0.000 1.649 254 D HN 0.322 nan 8.370 nan 0.000 0.507 255 A N 2.788 125.499 122.820 -0.181 0.000 2.456 255 A HA 0.667 4.989 4.320 0.003 0.000 0.288 255 A C -1.191 176.325 177.584 -0.113 0.000 1.042 255 A CA -0.757 51.185 52.037 -0.159 0.000 0.738 255 A CB 1.519 20.426 19.000 -0.154 0.000 1.266 255 A HN 0.309 nan 8.150 nan 0.000 0.407 256 E N 0.629 120.764 120.200 -0.108 0.000 2.392 256 E HA 0.699 5.050 4.350 0.003 0.000 0.269 256 E C -1.290 175.258 176.600 -0.087 0.000 0.924 256 E CA -0.750 55.600 56.400 -0.083 0.000 0.784 256 E CB 2.503 32.163 29.700 -0.066 0.000 1.292 256 E HN 0.396 nan 8.360 nan 0.000 0.447 257 V N 1.063 120.934 119.914 -0.071 0.000 2.709 257 V HA 0.533 4.655 4.120 0.003 0.000 0.308 257 V C -0.582 175.477 176.094 -0.059 0.000 1.062 257 V CA -0.473 61.783 62.300 -0.073 0.000 0.901 257 V CB 1.983 33.769 31.823 -0.062 0.000 1.003 257 V HN 0.849 nan 8.190 nan 0.000 0.425 258 S N 3.090 118.753 115.700 -0.062 0.000 2.627 258 S HA 0.710 5.182 4.470 0.003 0.000 0.283 258 S C -1.138 173.440 174.600 -0.035 0.000 1.127 258 S CA -0.966 57.208 58.200 -0.044 0.000 0.863 258 S CB 2.504 65.680 63.200 -0.040 0.000 1.121 258 S HN 0.613 nan 8.310 nan 0.000 0.479 259 E N 0.391 120.579 120.200 -0.021 0.000 2.179 259 E HA 0.486 4.837 4.350 0.003 0.000 0.275 259 E C -1.203 175.398 176.600 0.002 0.000 0.945 259 E CA -0.784 55.611 56.400 -0.008 0.000 0.792 259 E CB 1.276 30.971 29.700 -0.008 0.000 1.125 259 E HN 0.347 nan 8.360 nan 0.000 0.397 260 L N 2.481 123.716 121.223 0.020 0.000 2.375 260 L HA 0.218 4.560 4.340 0.003 0.000 0.268 260 L C 1.740 178.619 176.870 0.015 0.000 1.058 260 L CA 0.259 55.116 54.840 0.028 0.000 0.803 260 L CB 0.600 42.699 42.059 0.067 0.000 1.212 260 L HN 0.713 nan 8.230 nan 0.000 0.451 261 K N 0.839 121.243 120.400 0.008 0.000 2.089 261 K HA -0.212 4.110 4.320 0.003 0.000 0.210 261 K C 1.865 178.467 176.600 0.003 0.000 1.048 261 K CA 2.124 58.412 56.287 0.001 0.000 0.926 261 K CB -1.424 31.073 32.500 -0.005 0.000 0.714 261 K HN 0.836 nan 8.250 nan 0.000 0.448 262 S N -1.858 113.847 115.700 0.008 0.000 2.469 262 S HA 0.232 4.704 4.470 0.003 0.000 0.238 262 S C 2.032 176.639 174.600 0.010 0.000 0.998 262 S CA 1.262 59.466 58.200 0.007 0.000 0.957 262 S CB -0.267 62.938 63.200 0.009 0.000 0.764 262 S HN 1.785 nan 8.310 nan 0.000 0.514 263 G N 0.772 109.580 108.800 0.014 0.000 2.254 263 G HA2 -0.276 3.686 3.960 0.003 0.000 0.225 263 G HA3 -0.276 3.686 3.960 0.003 0.000 0.225 263 G C 0.288 175.200 174.900 0.020 0.000 1.003 263 G CA -0.030 45.077 45.100 0.012 0.000 0.622 263 G HN 0.669 nan 8.290 nan 0.000 0.507 264 R N 1.264 121.785 120.500 0.034 0.000 2.817 264 R HA 0.482 4.824 4.340 0.003 0.000 0.264 264 R C 0.219 176.548 176.300 0.049 0.000 1.009 264 R CA 1.438 57.571 56.100 0.055 0.000 1.133 264 R CB 0.197 30.553 30.300 0.094 0.000 1.013 264 R HN 0.194 nan 8.270 nan 0.000 0.453 265 T N 3.263 117.840 114.554 0.039 0.000 2.888 265 T HA 0.477 4.828 4.350 0.003 0.000 0.284 265 T C -1.310 173.367 174.700 -0.038 0.000 1.017 265 T CA -0.606 61.494 62.100 0.000 0.000 1.022 265 T CB 1.217 70.075 68.868 -0.016 0.000 1.013 265 T HN 0.326 nan 8.240 nan 0.000 0.465 266 L N 3.997 125.159 121.223 -0.102 0.000 2.333 266 L HA 0.746 5.088 4.340 0.003 0.000 0.280 266 L C -1.286 175.453 176.870 -0.220 0.000 1.004 266 L CA -0.895 53.789 54.840 -0.259 0.000 0.820 266 L CB 1.244 43.119 42.059 -0.307 0.000 1.247 266 L HN 0.557 nan 8.230 nan 0.000 0.416 267 L N 4.610 125.684 121.223 -0.248 0.000 2.289 267 L HA 0.714 5.056 4.340 0.003 0.000 0.285 267 L C -0.547 176.196 176.870 -0.212 0.000 1.049 267 L CA 0.505 55.234 54.840 -0.186 0.000 0.804 267 L CB 1.653 43.621 42.059 -0.151 0.000 1.195 267 L HN 0.762 nan 8.230 nan 0.000 0.428 268 T N 6.574 121.027 114.554 -0.168 0.000 2.864 268 T HA 0.564 4.916 4.350 0.003 0.000 0.299 268 T C -0.238 174.366 174.700 -0.161 0.000 1.011 268 T CA -0.353 61.653 62.100 -0.156 0.000 0.975 268 T CB 0.692 69.487 68.868 -0.123 0.000 0.962 268 T HN 0.557 nan 8.240 nan 0.000 0.448 269 M N 2.380 121.873 119.600 -0.178 0.000 2.724 269 M HA 0.560 5.042 4.480 0.003 0.000 0.310 269 M C -0.372 175.756 176.300 -0.286 0.000 1.217 269 M CA -1.012 54.148 55.300 -0.234 0.000 0.894 269 M CB 2.381 34.849 32.600 -0.221 0.000 1.719 269 M HN 0.231 nan 8.290 nan 0.000 0.479 270 K N 2.448 122.565 120.400 -0.473 0.000 2.324 270 K HA 0.766 5.088 4.320 0.003 0.000 0.253 270 K C -1.178 174.977 176.600 -0.743 0.000 0.932 270 K CA -0.565 55.333 56.287 -0.649 0.000 0.799 270 K CB 2.280 34.155 32.500 -1.042 0.000 1.154 270 K HN 0.653 nan 8.250 nan 0.000 0.425 271 I N -1.711 118.656 120.570 -0.338 0.000 2.865 271 I HA 0.622 4.794 4.170 0.003 0.000 0.302 271 I C -0.939 175.221 176.117 0.072 0.000 1.140 271 I CA -0.636 60.575 61.300 -0.147 0.000 1.021 271 I CB 2.542 40.448 38.000 -0.156 0.000 1.233 271 I HN 0.444 nan 8.210 nan 0.000 0.427 272 T N 1.446 116.002 114.554 0.002 0.000 2.916 272 T HA 0.346 4.697 4.350 0.003 0.000 0.298 272 T C -0.384 174.054 174.700 -0.436 0.000 1.031 272 T CA -0.406 61.583 62.100 -0.185 0.000 0.993 272 T CB 1.477 70.149 68.868 -0.326 0.000 1.045 272 T HN 0.868 nan 8.240 nan 0.000 0.454 273 D N 2.520 122.772 120.400 -0.247 0.000 2.363 273 D HA 0.091 4.733 4.640 0.003 0.000 0.214 273 D C 0.233 176.543 176.300 0.017 0.000 1.093 273 D CA -0.146 53.797 54.000 -0.095 0.000 0.837 273 D CB -0.360 40.485 40.800 0.076 0.000 0.948 273 D HN 0.647 nan 8.370 nan 0.000 0.507 274 Y N -0.806 119.510 120.300 0.026 0.000 4.943 274 Y HA -0.309 4.243 4.550 0.003 0.000 0.258 274 Y C 1.815 177.687 175.900 -0.047 0.000 0.930 274 Y CA 0.921 59.008 58.100 -0.022 0.000 1.902 274 Y CB -2.552 35.907 38.460 -0.002 0.000 1.386 274 Y HN 0.356 nan 8.280 nan 0.000 0.558 275 T N -3.784 110.814 114.554 0.072 0.000 3.023 275 T HA 0.301 4.653 4.350 0.003 0.000 0.249 275 T C 0.705 175.406 174.700 0.003 0.000 1.050 275 T CA 1.046 63.163 62.100 0.028 0.000 1.088 275 T CB 0.780 69.666 68.868 0.031 0.000 0.946 275 T HN 0.382 nan 8.240 nan 0.000 0.480 276 N N -0.994 117.703 118.700 -0.004 0.000 3.496 276 N HA 0.392 5.134 4.740 0.003 0.000 0.331 276 N C -1.911 173.591 175.510 -0.013 0.000 1.532 276 N CA -0.349 52.697 53.050 -0.008 0.000 0.863 276 N CB 1.540 40.030 38.487 0.005 0.000 1.927 276 N HN 0.209 nan 8.380 nan 0.000 0.529 277 S N 0.021 115.733 115.700 0.020 0.000 2.596 277 S HA 0.751 5.222 4.470 0.003 0.000 0.270 277 S C -1.275 173.358 174.600 0.056 0.000 1.155 277 S CA -0.515 57.722 58.200 0.062 0.000 0.827 277 S CB 2.070 65.362 63.200 0.154 0.000 1.130 277 S HN 0.505 nan 8.310 nan 0.000 0.467 278 I N 1.201 121.799 120.570 0.047 0.000 2.882 278 I HA 0.449 4.621 4.170 0.003 0.000 0.298 278 I C -1.977 174.125 176.117 -0.026 0.000 1.462 278 I CA -0.873 60.436 61.300 0.015 0.000 1.000 278 I CB 1.603 39.605 38.000 0.004 0.000 1.340 278 I HN 0.620 nan 8.210 nan 0.000 0.462 279 L N 6.492 127.699 121.223 -0.027 0.000 2.350 279 L HA 0.639 4.980 4.340 0.003 0.000 0.275 279 L C -1.189 175.647 176.870 -0.057 0.000 1.099 279 L CA 0.090 54.893 54.840 -0.061 0.000 0.808 279 L CB 1.479 43.514 42.059 -0.039 0.000 1.149 279 L HN 0.319 nan 8.230 nan 0.000 0.442 280 V N 4.496 124.358 119.914 -0.087 0.000 2.638 280 V HA 0.517 4.639 4.120 0.003 0.000 0.306 280 V C -0.447 175.588 176.094 -0.097 0.000 1.052 280 V CA -0.864 61.391 62.300 -0.075 0.000 0.885 280 V CB 1.787 33.558 31.823 -0.086 0.000 0.999 280 V HN 0.718 nan 8.190 nan 0.000 0.424 281 K N 4.032 124.383 120.400 -0.081 0.000 2.259 281 K HA 0.814 5.136 4.320 0.003 0.000 0.249 281 K C -0.963 175.532 176.600 -0.175 0.000 0.942 281 K CA -0.608 55.577 56.287 -0.170 0.000 0.816 281 K CB 2.501 34.907 32.500 -0.155 0.000 1.155 281 K HN 0.635 nan 8.250 nan 0.000 0.428 282 M N 3.022 122.422 119.600 -0.333 0.000 2.324 282 M HA 0.416 4.898 4.480 0.003 0.000 0.288 282 M C -1.869 174.226 176.300 -0.342 0.000 1.097 282 M CA -0.579 54.600 55.300 -0.200 0.000 0.928 282 M CB 1.213 33.750 32.600 -0.106 0.000 1.648 282 M HN 0.507 nan 8.290 nan 0.000 0.460 283 F N 2.478 122.420 119.950 -0.014 0.000 2.402 283 F HA 0.412 4.941 4.527 0.003 0.000 0.355 283 F C 0.668 176.460 175.800 -0.012 0.000 1.123 283 F CA -0.596 57.397 58.000 -0.013 0.000 1.021 283 F CB 1.773 40.766 39.000 -0.012 0.000 1.160 283 F HN 0.553 nan 8.300 nan 0.000 0.451 284 S N 2.689 118.458 115.700 0.115 0.000 2.572 284 S HA 0.245 4.716 4.470 0.003 0.000 0.279 284 S C 0.741 175.387 174.600 0.075 0.000 1.341 284 S CA -0.528 57.711 58.200 0.065 0.000 1.043 284 S CB 1.253 64.469 63.200 0.027 0.000 0.887 284 S HN 0.793 nan 8.310 nan 0.000 0.516 285 R N 0.676 121.206 120.500 0.049 0.000 2.437 285 R HA 0.286 4.627 4.340 0.003 0.000 0.257 285 R C -1.086 175.228 176.300 0.024 0.000 0.927 285 R CA 0.369 56.491 56.100 0.038 0.000 1.078 285 R CB 0.195 30.514 30.300 0.032 0.000 1.161 285 R HN 0.983 nan 8.270 nan 0.000 0.529 286 D N -2.774 117.638 120.400 0.020 0.000 2.728 286 D HA -0.008 4.634 4.640 0.003 0.000 0.249 286 D C -0.225 176.081 176.300 0.010 0.000 1.225 286 D CA -0.926 53.082 54.000 0.013 0.000 0.748 286 D CB 0.670 41.476 40.800 0.010 0.000 1.326 286 D HN -0.069 nan 8.370 nan 0.000 0.426 287 K N -0.205 120.198 120.400 0.006 0.000 2.283 287 K HA -0.062 4.259 4.320 0.003 0.000 0.202 287 K C 0.841 177.442 176.600 0.001 0.000 1.048 287 K CA 1.175 57.463 56.287 0.003 0.000 0.948 287 K CB 0.015 32.517 32.500 0.002 0.000 0.742 287 K HN 0.301 nan 8.250 nan 0.000 0.458 288 E N 1.330 121.531 120.200 0.002 0.000 2.072 288 E HA -0.136 4.216 4.350 0.003 0.000 0.191 288 E C 1.430 178.029 176.600 -0.001 0.000 0.985 288 E CA 1.467 57.868 56.400 0.000 0.000 0.801 288 E CB -0.101 29.600 29.700 0.002 0.000 0.750 288 E HN 0.371 nan 8.360 nan 0.000 0.452 289 D N -0.212 120.188 120.400 0.001 0.000 2.149 289 D HA -0.022 4.619 4.640 0.003 0.000 0.201 289 D C 1.783 178.078 176.300 -0.007 0.000 0.972 289 D CA 1.193 55.192 54.000 -0.001 0.000 0.835 289 D CB -0.276 40.528 40.800 0.006 0.000 0.966 289 D HN 0.175 nan 8.370 nan 0.000 0.476 290 A N 1.408 124.226 122.820 -0.005 0.000 1.908 290 A HA -0.244 4.078 4.320 0.003 0.000 0.218 290 A C 2.008 179.582 177.584 -0.017 0.000 1.181 290 A CA 1.996 54.026 52.037 -0.011 0.000 0.627 290 A CB -0.621 18.376 19.000 -0.006 0.000 0.818 290 A HN 0.453 nan 8.150 nan 0.000 0.445 291 E N -0.099 120.093 120.200 -0.013 0.000 2.158 291 E HA -0.046 4.305 4.350 0.003 0.000 0.191 291 E C 1.906 178.495 176.600 -0.017 0.000 0.982 291 E CA 0.822 57.213 56.400 -0.015 0.000 0.823 291 E CB -0.489 29.204 29.700 -0.010 0.000 0.766 291 E HN 0.569 nan 8.360 nan 0.000 0.468 292 L N 0.401 121.615 121.223 -0.015 0.000 2.079 292 L HA -0.160 4.182 4.340 0.003 0.000 0.210 292 L C 2.766 179.621 176.870 -0.026 0.000 1.081 292 L CA 1.252 56.082 54.840 -0.017 0.000 0.752 292 L CB -0.398 41.654 42.059 -0.012 0.000 0.896 292 L HN 0.206 nan 8.230 nan 0.000 0.433 293 M N -0.873 118.708 119.600 -0.031 0.000 2.149 293 M HA -0.205 4.277 4.480 0.003 0.000 0.261 293 M C 2.305 178.576 176.300 -0.049 0.000 1.064 293 M CA 1.643 56.915 55.300 -0.046 0.000 1.102 293 M CB -0.224 32.344 32.600 -0.054 0.000 1.369 293 M HN 0.153 nan 8.290 nan 0.000 0.408 294 S N -0.027 115.649 115.700 -0.040 0.000 2.474 294 S HA -0.036 4.436 4.470 0.003 0.000 0.235 294 S C 1.796 176.373 174.600 -0.037 0.000 0.997 294 S CA 1.065 59.242 58.200 -0.039 0.000 0.949 294 S CB -0.485 62.697 63.200 -0.030 0.000 0.766 294 S HN 0.702 nan 8.310 nan 0.000 0.517 295 G N 0.915 109.695 108.800 -0.034 0.000 2.712 295 G HA2 0.110 4.072 3.960 0.003 0.000 0.212 295 G HA3 0.110 4.072 3.960 0.003 0.000 0.212 295 G C 0.379 175.256 174.900 -0.037 0.000 1.142 295 G CA -0.130 44.953 45.100 -0.029 0.000 0.789 295 G HN 0.358 nan 8.290 nan 0.000 0.535 296 V N 1.057 120.941 119.914 -0.050 0.000 2.446 296 V HA 0.279 4.401 4.120 0.003 0.000 0.276 296 V C 0.102 176.147 176.094 -0.082 0.000 1.030 296 V CA 0.190 62.450 62.300 -0.068 0.000 1.033 296 V CB 0.720 32.494 31.823 -0.082 0.000 0.993 296 V HN 0.140 nan 8.190 nan 0.000 0.477 297 K N 3.739 124.087 120.400 -0.088 0.000 2.340 297 K HA 0.496 4.817 4.320 0.003 0.000 0.244 297 K C -0.239 176.272 176.600 -0.149 0.000 0.973 297 K CA -0.866 55.364 56.287 -0.095 0.000 0.828 297 K CB 1.530 33.993 32.500 -0.061 0.000 1.226 297 K HN 0.494 nan 8.250 nan 0.000 0.437 298 K N 0.563 120.876 120.400 -0.144 0.000 2.524 298 K HA 0.044 4.366 4.320 0.003 0.000 0.279 298 K C 0.784 177.255 176.600 -0.216 0.000 0.993 298 K CA 1.326 57.496 56.287 -0.195 0.000 1.030 298 K CB 0.143 32.593 32.500 -0.083 0.000 0.891 298 K HN 0.875 nan 8.250 nan 0.000 0.488 299 G N 1.906 110.419 108.800 -0.479 0.000 2.234 299 G HA2 -0.272 3.690 3.960 0.003 0.000 0.235 299 G HA3 -0.272 3.690 3.960 0.003 0.000 0.235 299 G C 0.273 175.065 174.900 -0.181 0.000 0.997 299 G CA -0.161 44.755 45.100 -0.306 0.000 0.623 299 G HN 0.495 nan 8.290 nan 0.000 0.514 300 M N -0.558 118.920 119.600 -0.204 0.000 2.198 300 M HA 0.519 5.001 4.480 0.003 0.000 0.315 300 M C 0.025 176.295 176.300 -0.050 0.000 1.134 300 M CA 0.170 55.451 55.300 -0.032 0.000 1.171 300 M CB 0.453 33.026 32.600 -0.046 0.000 1.413 300 M HN 0.198 nan 8.290 nan 0.000 0.467 301 W N 0.333 121.623 121.300 -0.017 0.000 2.736 301 W HA 0.656 5.318 4.660 0.003 0.000 0.335 301 W C -1.297 175.225 176.519 0.005 0.000 1.059 301 W CA -0.430 56.931 57.345 0.027 0.000 1.226 301 W CB 1.540 31.055 29.460 0.091 0.000 1.416 301 W HN 0.203 nan 8.180 nan 0.000 0.505 302 V N 3.007 123.052 119.914 0.219 0.000 2.888 302 V HA 0.380 4.502 4.120 0.003 0.000 0.309 302 V C -0.858 175.303 176.094 0.112 0.000 1.114 302 V CA -1.545 60.820 62.300 0.108 0.000 0.940 302 V CB 2.226 34.053 31.823 0.007 0.000 1.021 302 V HN 0.393 nan 8.190 nan 0.000 0.426 303 K N 3.420 123.872 120.400 0.087 0.000 2.265 303 K HA 0.776 5.097 4.320 0.003 0.000 0.267 303 K C -1.664 174.960 176.600 0.040 0.000 0.994 303 K CA -0.366 55.964 56.287 0.071 0.000 0.860 303 K CB 1.768 34.311 32.500 0.070 0.000 1.099 303 K HN 0.463 nan 8.250 nan 0.000 0.448 304 V N 3.021 122.953 119.914 0.030 0.000 2.540 304 V HA 0.581 4.703 4.120 0.003 0.000 0.302 304 V C -0.205 175.901 176.094 0.020 0.000 1.035 304 V CA -0.759 61.551 62.300 0.016 0.000 0.873 304 V CB 1.501 33.324 31.823 0.000 0.000 0.992 304 V HN 0.874 nan 8.190 nan 0.000 0.428 305 R N 2.338 122.849 120.500 0.020 0.000 2.343 305 R HA 0.906 5.248 4.340 0.003 0.000 0.320 305 R C 0.071 176.384 176.300 0.021 0.000 0.956 305 R CA 0.088 56.201 56.100 0.021 0.000 0.836 305 R CB 1.520 31.832 30.300 0.021 0.000 1.151 305 R HN 1.388 nan 8.270 nan 0.000 0.450 306 G N -0.054 108.759 108.800 0.022 0.000 2.606 306 G HA2 0.558 4.519 3.960 0.003 0.000 0.300 306 G HA3 0.558 4.519 3.960 0.003 0.000 0.300 306 G C -0.584 174.331 174.900 0.026 0.000 1.360 306 G CA 0.237 45.352 45.100 0.026 0.000 0.783 306 G HN 1.329 nan 8.290 nan 0.000 0.484 307 S N -1.409 114.309 115.700 0.031 0.000 2.654 307 S HA 0.708 5.180 4.470 0.003 0.000 0.283 307 S C -0.526 174.092 174.600 0.029 0.000 1.180 307 S CA -0.653 57.564 58.200 0.028 0.000 1.021 307 S CB 1.810 65.027 63.200 0.028 0.000 1.018 307 S HN 0.853 nan 8.310 nan 0.000 0.532 308 V N 2.610 122.539 119.914 0.025 0.000 2.357 308 V HA 0.435 4.557 4.120 0.003 0.000 0.284 308 V C -0.259 175.851 176.094 0.026 0.000 1.018 308 V CA -0.396 61.919 62.300 0.025 0.000 0.841 308 V CB 0.719 32.554 31.823 0.021 0.000 0.991 308 V HN 0.932 nan 8.190 nan 0.000 0.437 309 Q N 2.903 122.723 119.800 0.032 0.000 2.387 309 Q HA 0.392 4.734 4.340 0.003 0.000 0.273 309 Q C -0.186 175.835 176.000 0.035 0.000 1.089 309 Q CA -0.663 55.160 55.803 0.034 0.000 0.824 309 Q CB 2.311 31.074 28.738 0.041 0.000 1.367 309 Q HN 0.731 nan 8.270 nan 0.000 0.443 310 N N 2.141 120.860 118.700 0.032 0.000 2.452 310 N HA -0.061 4.681 4.740 0.003 0.000 0.266 310 N C -1.226 174.311 175.510 0.046 0.000 1.175 310 N CA 0.186 53.256 53.050 0.033 0.000 0.945 310 N CB 0.642 39.146 38.487 0.028 0.000 1.063 310 N HN 0.528 nan 8.380 nan 0.000 0.472 311 D N 2.843 123.275 120.400 0.054 0.000 2.317 311 D HA 0.050 4.692 4.640 0.003 0.000 0.234 311 D C 1.089 177.436 176.300 0.078 0.000 1.112 311 D CA -0.284 53.765 54.000 0.080 0.000 0.840 311 D CB 1.233 42.090 40.800 0.094 0.000 1.078 311 D HN 0.630 nan 8.370 nan 0.000 0.486 312 T N 0.916 115.529 114.554 0.098 0.000 3.100 312 T HA -0.022 4.330 4.350 0.003 0.000 0.253 312 T C 1.592 176.369 174.700 0.130 0.000 1.118 312 T CA 0.006 62.158 62.100 0.088 0.000 1.058 312 T CB -0.313 68.601 68.868 0.075 0.000 0.953 312 T HN 0.416 nan 8.240 nan 0.000 0.515 313 F N 0.771 120.731 119.950 0.017 0.000 2.446 313 F HA 0.396 4.925 4.527 0.003 0.000 0.292 313 F C 1.948 177.755 175.800 0.012 0.000 1.096 313 F CA -0.001 58.007 58.000 0.014 0.000 1.438 313 F CB 0.198 39.208 39.000 0.017 0.000 1.107 313 F HN 0.048 nan 8.300 nan 0.000 0.546 314 V N 1.354 121.177 119.914 -0.152 0.000 3.541 314 V HA 0.126 4.248 4.120 0.003 0.000 0.267 314 V C 0.867 176.876 176.094 -0.141 0.000 1.213 314 V CA 0.585 62.748 62.300 -0.229 0.000 1.149 314 V CB -0.785 30.995 31.823 -0.071 0.000 0.822 314 V HN 0.436 nan 8.190 nan 0.000 0.462 315 R N 1.036 121.487 120.500 -0.081 0.000 3.641 315 R HA -0.136 4.206 4.340 0.003 0.000 0.286 315 R C -0.514 175.772 176.300 -0.022 0.000 1.153 315 R CA 1.100 57.173 56.100 -0.044 0.000 0.775 315 R CB -1.815 28.447 30.300 -0.063 0.000 1.215 315 R HN 0.540 nan 8.270 nan 0.000 0.474 316 D N -0.776 119.618 120.400 -0.009 0.000 2.615 316 D HA 0.367 5.009 4.640 0.003 0.000 0.267 316 D C 0.413 176.721 176.300 0.014 0.000 1.236 316 D CA -0.764 53.238 54.000 0.003 0.000 0.839 316 D CB 1.075 41.877 40.800 0.002 0.000 1.380 316 D HN -0.134 nan 8.370 nan 0.000 0.433 317 L N 0.263 121.495 121.223 0.016 0.000 2.476 317 L HA 0.476 4.818 4.340 0.003 0.000 0.264 317 L C 0.159 177.041 176.870 0.020 0.000 1.224 317 L CA -0.040 54.812 54.840 0.020 0.000 0.821 317 L CB 0.423 42.493 42.059 0.019 0.000 1.101 317 L HN 0.033 nan 8.230 nan 0.000 0.488 318 V N 1.717 121.644 119.914 0.023 0.000 3.036 318 V HA 0.310 4.432 4.120 0.003 0.000 0.288 318 V C -0.797 175.311 176.094 0.024 0.000 1.407 318 V CA -0.438 61.874 62.300 0.021 0.000 0.983 318 V CB 2.396 34.239 31.823 0.033 0.000 1.128 318 V HN 0.462 nan 8.190 nan 0.000 0.439 319 I N 5.992 126.570 120.570 0.014 0.000 2.325 319 I HA 0.358 4.529 4.170 0.003 0.000 0.291 319 I C -0.269 175.867 176.117 0.031 0.000 1.019 319 I CA -0.388 60.923 61.300 0.019 0.000 1.302 319 I CB 1.114 39.118 38.000 0.006 0.000 1.401 319 I HN 0.331 nan 8.210 nan 0.000 0.485 320 I N 6.619 127.223 120.570 0.056 0.000 2.291 320 I HA 0.284 4.456 4.170 0.003 0.000 0.292 320 I C 0.725 176.885 176.117 0.071 0.000 1.064 320 I CA -0.110 61.246 61.300 0.093 0.000 1.269 320 I CB 0.404 38.479 38.000 0.126 0.000 1.418 320 I HN 0.513 nan 8.210 nan 0.000 0.485 321 A N 6.973 129.826 122.820 0.055 0.000 2.331 321 A HA 0.430 4.752 4.320 0.003 0.000 0.283 321 A C 0.956 178.572 177.584 0.054 0.000 1.142 321 A CA -0.633 51.426 52.037 0.037 0.000 0.812 321 A CB 0.338 19.342 19.000 0.007 0.000 1.074 321 A HN 0.800 nan 8.150 nan 0.000 0.497 322 N N 0.907 119.633 118.700 0.042 0.000 2.220 322 N HA 0.068 4.810 4.740 0.003 0.000 0.195 322 N C -0.924 174.603 175.510 0.027 0.000 1.123 322 N CA 0.028 53.102 53.050 0.041 0.000 0.874 322 N CB 0.785 39.294 38.487 0.037 0.000 0.995 322 N HN 0.654 nan 8.380 nan 0.000 0.498 323 D N 0.733 121.146 120.400 0.021 0.000 2.896 323 D HA 0.458 5.100 4.640 0.003 0.000 0.241 323 D C -1.818 174.489 176.300 0.011 0.000 1.188 323 D CA -0.420 53.590 54.000 0.016 0.000 0.879 323 D CB 2.484 43.295 40.800 0.018 0.000 1.553 323 D HN -0.003 nan 8.370 nan 0.000 0.515 324 L N 3.617 124.845 121.223 0.008 0.000 2.441 324 L HA 0.557 4.899 4.340 0.003 0.000 0.270 324 L C -1.626 175.250 176.870 0.011 0.000 0.973 324 L CA -0.631 54.211 54.840 0.005 0.000 0.842 324 L CB 1.209 43.262 42.059 -0.010 0.000 1.239 324 L HN 0.340 nan 8.230 nan 0.000 0.406 325 N N 3.814 122.527 118.700 0.021 0.000 2.372 325 N HA 0.242 4.984 4.740 0.003 0.000 0.285 325 N C -1.014 174.521 175.510 0.041 0.000 1.008 325 N CA -0.489 52.577 53.050 0.028 0.000 0.880 325 N CB 2.411 40.917 38.487 0.031 0.000 1.239 325 N HN 0.623 nan 8.380 nan 0.000 0.484 326 E N 2.497 122.720 120.200 0.040 0.000 2.392 326 E HA 0.291 4.643 4.350 0.003 0.000 0.264 326 E C -0.387 176.258 176.600 0.075 0.000 1.024 326 E CA -0.284 56.152 56.400 0.061 0.000 0.903 326 E CB 0.571 30.300 29.700 0.048 0.000 0.963 326 E HN 0.582 nan 8.360 nan 0.000 0.432 327 I N -0.092 120.548 120.570 0.116 0.000 3.074 327 I HA 0.684 4.855 4.170 0.003 0.000 0.310 327 I C -0.427 175.738 176.117 0.081 0.000 1.153 327 I CA -1.454 59.900 61.300 0.091 0.000 0.993 327 I CB 1.667 39.725 38.000 0.096 0.000 1.237 327 I HN 0.539 nan 8.210 nan 0.000 0.443 328 A N 1.958 124.780 122.820 0.003 0.000 2.483 328 A HA 0.536 4.858 4.320 0.003 0.000 0.238 328 A C 1.282 178.721 177.584 -0.242 0.000 1.070 328 A CA 0.337 52.335 52.037 -0.065 0.000 0.770 328 A CB 0.345 19.303 19.000 -0.069 0.000 1.008 328 A HN 1.185 nan 8.150 nan 0.000 0.497 329 A N 2.062 124.667 122.820 -0.359 0.000 2.067 329 A HA 0.260 4.582 4.320 0.003 0.000 0.219 329 A C 1.562 178.757 177.584 -0.648 0.000 1.158 329 A CA 1.648 53.154 52.037 -0.885 0.000 0.661 329 A CB -1.777 16.934 19.000 -0.482 0.000 0.801 329 A HN 2.546 nan 8.150 nan 0.000 0.452 330 N N 0.995 119.501 118.700 -0.322 0.000 2.700 330 N HA -0.189 4.553 4.740 0.003 0.000 0.265 330 N C 0.043 175.445 175.510 -0.181 0.000 0.975 330 N CA 1.361 54.291 53.050 -0.201 0.000 0.800 330 N CB -1.913 36.471 38.487 -0.172 0.000 0.908 330 N HN 0.962 nan 8.380 nan 0.000 0.551 331 E N -0.831 119.291 120.200 -0.130 0.000 2.314 331 E HA 0.399 4.751 4.350 0.003 0.000 0.262 331 E C 0.066 176.691 176.600 0.042 0.000 1.093 331 E CA -0.898 55.470 56.400 -0.054 0.000 0.908 331 E CB 0.976 30.663 29.700 -0.021 0.000 1.091 331 E HN 0.538 nan 8.360 nan 0.000 0.425 332 R N 0.878 121.434 120.500 0.094 0.000 2.489 332 R HA -0.155 4.186 4.340 0.003 0.000 0.287 332 R C -0.294 176.160 176.300 0.256 0.000 0.902 332 R CA 0.827 57.016 56.100 0.148 0.000 1.136 332 R CB 0.087 30.518 30.300 0.218 0.000 0.872 332 R HN 0.410 nan 8.270 nan 0.000 0.421 333 Q N 1.488 121.341 119.800 0.087 0.000 2.309 333 Q HA 0.157 4.499 4.340 0.003 0.000 0.264 333 Q C -1.231 174.670 176.000 -0.165 0.000 1.008 333 Q CA -0.412 55.435 55.803 0.073 0.000 0.853 333 Q CB 1.661 30.414 28.738 0.025 0.000 1.314 333 Q HN 0.423 nan 8.270 nan 0.000 0.448 334 D N 1.615 121.868 120.400 -0.246 0.000 2.396 334 D HA 0.087 4.729 4.640 0.003 0.000 0.225 334 D C 0.078 176.292 176.300 -0.144 0.000 1.121 334 D CA -0.017 53.739 54.000 -0.408 0.000 0.853 334 D CB 1.009 41.512 40.800 -0.494 0.000 1.043 334 D HN 0.719 nan 8.370 nan 0.000 0.500 335 T N 0.622 115.097 114.554 -0.131 0.000 3.086 335 T HA 0.374 4.726 4.350 0.003 0.000 0.250 335 T C 0.891 175.560 174.700 -0.052 0.000 1.074 335 T CA -0.343 61.717 62.100 -0.066 0.000 0.988 335 T CB 0.257 69.091 68.868 -0.057 0.000 0.988 335 T HN 0.341 nan 8.240 nan 0.000 0.530 336 A N 2.729 125.511 122.820 -0.064 0.000 2.406 336 A HA 0.581 4.902 4.320 0.003 0.000 0.243 336 A C -2.276 175.293 177.584 -0.026 0.000 1.082 336 A CA -1.334 50.674 52.037 -0.048 0.000 0.786 336 A CB -0.225 18.737 19.000 -0.064 0.000 1.029 336 A HN 0.304 nan 8.150 nan 0.000 0.495 337 P HA 0.161 nan 4.420 nan 0.000 0.272 337 P C -0.211 177.087 177.300 -0.004 0.000 1.223 337 P CA -0.353 62.741 63.100 -0.010 0.000 0.784 337 P CB 0.397 32.090 31.700 -0.013 0.000 0.923 338 E N 0.748 120.952 120.200 0.006 0.000 2.452 338 E HA 0.182 4.534 4.350 0.003 0.000 0.261 338 E C 1.171 177.774 176.600 0.005 0.000 0.987 338 E CA 1.002 57.410 56.400 0.014 0.000 0.926 338 E CB -0.361 29.350 29.700 0.018 0.000 0.934 338 E HN 0.741 nan 8.360 nan 0.000 0.452 339 G N 2.251 111.054 108.800 0.006 0.000 2.267 339 G HA2 -0.396 3.566 3.960 0.003 0.000 0.257 339 G HA3 -0.396 3.566 3.960 0.003 0.000 0.257 339 G C 0.580 175.469 174.900 -0.018 0.000 0.998 339 G CA 0.594 45.692 45.100 -0.004 0.000 0.620 339 G HN 0.705 nan 8.290 nan 0.000 0.529 340 E N 0.077 120.263 120.200 -0.023 0.000 2.499 340 E HA 0.628 4.979 4.350 0.003 0.000 0.207 340 E C 0.508 177.073 176.600 -0.059 0.000 1.034 340 E CA 0.599 56.976 56.400 -0.038 0.000 1.098 340 E CB 0.127 29.807 29.700 -0.034 0.000 1.148 340 E HN 0.546 nan 8.360 nan 0.000 0.447 341 K N 0.270 120.632 120.400 -0.064 0.000 2.087 341 K HA 0.465 4.787 4.320 0.003 0.000 0.255 341 K C 0.179 176.661 176.600 -0.197 0.000 0.988 341 K CA -0.680 55.536 56.287 -0.118 0.000 0.915 341 K CB 1.325 33.791 32.500 -0.056 0.000 1.043 341 K HN 0.292 nan 8.250 nan 0.000 0.457 342 R N 1.148 121.436 120.500 -0.353 0.000 2.490 342 R HA 0.337 4.679 4.340 0.003 0.000 0.278 342 R C -1.078 174.969 176.300 -0.421 0.000 1.069 342 R CA -0.420 55.467 56.100 -0.356 0.000 1.080 342 R CB 0.704 30.790 30.300 -0.357 0.000 1.030 342 R HN 0.299 nan 8.270 nan 0.000 0.491 343 V N 3.549 123.360 119.914 -0.172 0.000 2.409 343 V HA 0.129 4.251 4.120 0.003 0.000 0.291 343 V C -0.377 175.746 176.094 0.048 0.000 1.020 343 V CA -0.783 61.496 62.300 -0.035 0.000 0.848 343 V CB 1.402 33.203 31.823 -0.037 0.000 0.990 343 V HN 0.724 nan 8.190 nan 0.000 0.430 344 E N 3.931 124.253 120.200 0.203 0.000 2.324 344 E HA 0.258 4.610 4.350 0.003 0.000 0.271 344 E C 0.070 176.704 176.600 0.056 0.000 1.028 344 E CA 0.297 56.808 56.400 0.184 0.000 0.890 344 E CB 0.832 30.697 29.700 0.274 0.000 1.004 344 E HN 0.596 nan 8.360 nan 0.000 0.431 345 L N 4.015 125.266 121.223 0.048 0.000 2.858 345 L HA 0.313 4.655 4.340 0.003 0.000 0.251 345 L C 0.129 177.058 176.870 0.099 0.000 1.149 345 L CA -0.153 54.694 54.840 0.012 0.000 0.955 345 L CB 0.244 42.254 42.059 -0.080 0.000 1.289 345 L HN 0.570 nan 8.230 nan 0.000 0.542 346 H N 0.867 119.925 119.070 -0.020 0.000 3.275 346 H HA 0.574 5.131 4.556 0.003 0.000 0.326 346 H C -1.634 173.602 175.328 -0.153 0.000 1.096 346 H CA -0.537 55.487 56.048 -0.039 0.000 1.579 346 H CB 1.350 31.173 29.762 0.102 0.000 1.834 346 H HN 0.012 nan 8.280 nan 0.000 0.510 347 L N 4.985 126.180 121.223 -0.046 0.000 2.513 347 L HA 0.455 4.797 4.340 0.003 0.000 0.261 347 L C -1.672 174.981 176.870 -0.361 0.000 0.945 347 L CA -0.584 54.133 54.840 -0.206 0.000 0.848 347 L CB 1.953 43.861 42.059 -0.251 0.000 1.334 347 L HN 0.662 nan 8.230 nan 0.000 0.407 348 H N 2.380 121.284 119.070 -0.276 0.000 2.492 348 H HA 0.528 5.086 4.556 0.003 0.000 0.345 348 H C -0.588 174.667 175.328 -0.121 0.000 1.136 348 H CA -0.176 55.724 56.048 -0.247 0.000 1.202 348 H CB 2.188 31.651 29.762 -0.498 0.000 1.524 348 H HN 0.763 nan 8.280 nan 0.000 0.506 349 T N -0.894 113.703 114.554 0.072 0.000 2.938 349 T HA 0.223 4.575 4.350 0.003 0.000 0.285 349 T C -2.072 172.697 174.700 0.115 0.000 1.028 349 T CA -2.326 59.816 62.100 0.071 0.000 1.005 349 T CB 1.897 70.801 68.868 0.061 0.000 1.157 349 T HN 0.144 nan 8.240 nan 0.000 0.550 350 P HA 0.011 nan 4.420 nan 0.000 0.226 350 P C 1.312 178.674 177.300 0.105 0.000 1.146 350 P CA 0.717 63.874 63.100 0.095 0.000 0.773 350 P CB -0.080 31.656 31.700 0.059 0.000 0.772 351 M N -1.751 117.914 119.600 0.110 0.000 2.562 351 M HA 0.044 4.526 4.480 0.003 0.000 0.257 351 M C 0.568 176.963 176.300 0.159 0.000 1.099 351 M CA 0.767 56.135 55.300 0.113 0.000 1.099 351 M CB -1.140 31.520 32.600 0.101 0.000 1.427 351 M HN -0.224 nan 8.290 nan 0.000 0.489 352 S N 1.926 117.751 115.700 0.209 0.000 2.701 352 S HA 0.124 4.596 4.470 0.003 0.000 0.317 352 S C 0.347 175.074 174.600 0.212 0.000 1.149 352 S CA -0.253 58.129 58.200 0.303 0.000 1.052 352 S CB -0.285 63.227 63.200 0.520 0.000 1.257 352 S HN 0.356 nan 8.310 nan 0.000 0.532 353 Q N 3.926 123.827 119.800 0.168 0.000 3.130 353 Q HA -0.142 4.200 4.340 0.003 0.000 0.382 353 Q C 0.419 176.478 176.000 0.098 0.000 1.060 353 Q CA 0.568 56.446 55.803 0.125 0.000 1.211 353 Q CB 0.032 28.842 28.738 0.119 0.000 1.041 353 Q HN 0.588 nan 8.270 nan 0.000 0.440 354 M N 2.359 122.017 119.600 0.098 0.000 2.612 354 M HA -0.306 4.176 4.480 0.003 0.000 0.194 354 M C -0.346 175.990 176.300 0.060 0.000 0.530 354 M CA 1.419 56.763 55.300 0.072 0.000 0.548 354 M CB -1.731 30.894 32.600 0.041 0.000 2.013 354 M HN 0.793 nan 8.290 nan 0.000 0.711 355 D N -1.417 119.046 120.400 0.105 0.000 2.348 355 D HA 0.505 5.147 4.640 0.003 0.000 0.283 355 D C 0.142 176.593 176.300 0.252 0.000 1.096 355 D CA 1.180 55.257 54.000 0.128 0.000 0.863 355 D CB 0.761 41.621 40.800 0.100 0.000 1.465 355 D HN 0.473 nan 8.370 nan 0.000 0.515 356 A N -0.399 122.567 122.820 0.243 0.000 2.515 356 A HA 0.654 4.976 4.320 0.003 0.000 0.296 356 A C -0.165 177.537 177.584 0.198 0.000 1.094 356 A CA -0.413 51.789 52.037 0.276 0.000 0.718 356 A CB 1.969 21.113 19.000 0.239 0.000 1.307 356 A HN -0.054 nan 8.150 nan 0.000 0.408 357 V N 0.092 120.133 119.914 0.212 0.000 3.480 357 V HA 0.148 4.269 4.120 0.003 0.000 0.263 357 V C 0.547 176.690 176.094 0.081 0.000 1.442 357 V CA 1.249 63.633 62.300 0.141 0.000 1.053 357 V CB 0.843 32.768 31.823 0.170 0.000 0.846 357 V HN 0.864 nan 8.190 nan 0.000 0.440 358 T N 1.989 116.610 114.554 0.111 0.000 2.795 358 T HA 0.384 4.736 4.350 0.003 0.000 0.282 358 T C 0.252 174.966 174.700 0.023 0.000 0.980 358 T CA 0.011 62.143 62.100 0.053 0.000 1.012 358 T CB 1.341 70.257 68.868 0.080 0.000 0.936 358 T HN 0.482 nan 8.240 nan 0.000 0.457 359 S N 2.343 118.042 115.700 -0.002 0.000 2.573 359 S HA 0.073 4.545 4.470 0.003 0.000 0.277 359 S C 1.632 176.223 174.600 -0.015 0.000 1.346 359 S CA -0.706 57.493 58.200 -0.003 0.000 1.034 359 S CB 0.833 64.027 63.200 -0.010 0.000 0.879 359 S HN 0.498 nan 8.310 nan 0.000 0.528 360 V N 3.002 122.913 119.914 -0.006 0.000 2.490 360 V HA -0.145 3.976 4.120 0.003 0.000 0.250 360 V C 2.345 178.407 176.094 -0.054 0.000 1.061 360 V CA 2.740 65.026 62.300 -0.024 0.000 1.064 360 V CB -1.426 30.407 31.823 0.015 0.000 0.670 360 V HN 1.127 nan 8.190 nan 0.000 0.461 361 T N -0.175 114.353 114.554 -0.044 0.000 2.684 361 T HA -0.235 4.117 4.350 0.003 0.000 0.267 361 T C 1.914 176.535 174.700 -0.131 0.000 1.036 361 T CA 2.077 64.129 62.100 -0.080 0.000 1.148 361 T CB -0.248 68.600 68.868 -0.033 0.000 0.863 361 T HN 0.368 nan 8.240 nan 0.000 0.436 362 K N 0.419 120.768 120.400 -0.085 0.000 2.057 362 K HA 0.019 4.341 4.320 0.003 0.000 0.207 362 K C 2.009 178.541 176.600 -0.112 0.000 1.049 362 K CA 0.749 56.981 56.287 -0.091 0.000 0.931 362 K CB -0.486 31.983 32.500 -0.052 0.000 0.714 362 K HN 0.090 nan 8.250 nan 0.000 0.440 363 L N 0.569 121.740 121.223 -0.087 0.000 2.017 363 L HA -0.094 4.248 4.340 0.003 0.000 0.208 363 L C 2.009 178.836 176.870 -0.072 0.000 1.073 363 L CA 1.616 56.415 54.840 -0.068 0.000 0.745 363 L CB -0.633 41.343 42.059 -0.138 0.000 0.894 363 L HN 0.202 nan 8.230 nan 0.000 0.432 364 I N -0.928 119.563 120.570 -0.132 0.000 2.315 364 I HA -0.263 3.909 4.170 0.003 0.000 0.248 364 I C 2.533 178.511 176.117 -0.232 0.000 1.117 364 I CA 0.978 62.191 61.300 -0.146 0.000 1.404 364 I CB -0.189 37.716 38.000 -0.158 0.000 1.071 364 I HN 0.381 nan 8.210 nan 0.000 0.419 365 E N 0.654 120.640 120.200 -0.356 0.000 2.051 365 E HA -0.330 4.022 4.350 0.003 0.000 0.192 365 E C 2.153 178.583 176.600 -0.283 0.000 0.991 365 E CA 1.552 57.709 56.400 -0.405 0.000 0.799 365 E CB 0.035 29.509 29.700 -0.378 0.000 0.748 365 E HN 0.331 nan 8.360 nan 0.000 0.449 366 Q N 0.640 120.246 119.800 -0.323 0.000 2.061 366 Q HA -0.144 4.198 4.340 0.003 0.000 0.204 366 Q C 1.883 177.466 176.000 -0.695 0.000 0.984 366 Q CA 2.194 57.634 55.803 -0.605 0.000 0.846 366 Q CB -0.555 27.782 28.738 -0.667 0.000 0.902 366 Q HN 0.322 nan 8.270 nan 0.000 0.421 367 A N 0.324 122.953 122.820 -0.317 0.000 1.908 367 A HA -0.243 4.079 4.320 0.003 0.000 0.218 367 A C 2.052 179.535 177.584 -0.169 0.000 1.181 367 A CA 2.062 53.949 52.037 -0.250 0.000 0.627 367 A CB -0.696 18.353 19.000 0.082 0.000 0.818 367 A HN 0.330 nan 8.150 nan 0.000 0.445 368 K N 0.318 120.652 120.400 -0.111 0.000 2.032 368 K HA -0.118 4.204 4.320 0.003 0.000 0.209 368 K C 1.903 178.488 176.600 -0.026 0.000 1.048 368 K CA 2.071 58.345 56.287 -0.023 0.000 0.927 368 K CB -0.376 32.136 32.500 0.021 0.000 0.712 368 K HN 0.481 nan 8.250 nan 0.000 0.441 369 K N -1.102 119.224 120.400 -0.123 0.000 2.103 369 K HA -0.146 4.175 4.320 0.003 0.000 0.207 369 K C 1.788 178.415 176.600 0.045 0.000 1.048 369 K CA 1.354 57.587 56.287 -0.092 0.000 0.930 369 K CB -0.195 32.172 32.500 -0.222 0.000 0.716 369 K HN 0.260 nan 8.250 nan 0.000 0.444 370 W N 0.038 121.256 121.300 -0.136 0.000 2.678 370 W HA 0.108 4.770 4.660 0.003 0.000 0.256 370 W C 1.113 177.658 176.519 0.042 0.000 1.280 370 W CA 1.166 58.439 57.345 -0.120 0.000 1.345 370 W CB -0.467 28.773 29.460 -0.367 0.000 1.118 370 W HN 0.354 nan 8.180 nan 0.000 0.629 371 G N -0.023 108.923 108.800 0.243 0.000 2.132 371 G HA2 -0.261 3.701 3.960 0.003 0.000 0.228 371 G HA3 -0.261 3.701 3.960 0.003 0.000 0.228 371 G C 0.063 175.137 174.900 0.291 0.000 1.000 371 G CA -0.241 44.986 45.100 0.212 0.000 0.693 371 G HN 0.464 nan 8.290 nan 0.000 0.515 372 H N 0.535 119.679 119.070 0.123 0.000 2.803 372 H HA 0.169 4.727 4.556 0.003 0.000 0.330 372 H C -1.048 174.322 175.328 0.069 0.000 1.057 372 H CA -1.031 55.079 56.048 0.105 0.000 1.458 372 H CB 1.416 31.276 29.762 0.163 0.000 1.470 372 H HN 0.136 nan 8.280 nan 0.000 0.560 373 P HA 0.025 nan 4.420 nan 0.000 0.229 373 P C -0.165 177.175 177.300 0.066 0.000 1.160 373 P CA 0.708 63.853 63.100 0.075 0.000 0.777 373 P CB 0.730 32.447 31.700 0.028 0.000 0.814 374 A N -1.140 121.736 122.820 0.092 0.000 2.540 374 A HA 0.719 5.041 4.320 0.003 0.000 0.291 374 A C -1.904 175.735 177.584 0.091 0.000 1.083 374 A CA -0.561 51.507 52.037 0.052 0.000 0.650 374 A CB 0.705 19.703 19.000 -0.003 0.000 1.292 374 A HN 0.020 nan 8.150 nan 0.000 0.435 375 I N -0.520 120.062 120.570 0.020 0.000 2.775 375 I HA 0.696 4.868 4.170 0.003 0.000 0.295 375 I C -0.527 175.532 176.117 -0.098 0.000 1.287 375 I CA -0.700 60.611 61.300 0.018 0.000 1.029 375 I CB 1.975 39.996 38.000 0.036 0.000 1.282 375 I HN 1.252 nan 8.210 nan 0.000 0.426 376 A N 6.256 129.016 122.820 -0.100 0.000 2.324 376 A HA 0.772 5.094 4.320 0.003 0.000 0.330 376 A C -1.343 176.156 177.584 -0.142 0.000 1.165 376 A CA -0.486 51.470 52.037 -0.135 0.000 0.813 376 A CB 1.629 20.577 19.000 -0.086 0.000 1.197 376 A HN 0.421 nan 8.150 nan 0.000 0.484 377 V N 2.506 122.341 119.914 -0.132 0.000 2.334 377 V HA 0.498 4.619 4.120 0.003 0.000 0.281 377 V C 0.319 176.424 176.094 0.018 0.000 1.016 377 V CA 0.190 62.460 62.300 -0.049 0.000 0.832 377 V CB 1.089 32.938 31.823 0.043 0.000 0.999 377 V HN 1.033 nan 8.190 nan 0.000 0.439 378 T N -0.317 114.166 114.554 -0.118 0.000 3.401 378 T HA 0.346 4.698 4.350 0.003 0.000 0.341 378 T C -0.348 174.108 174.700 -0.408 0.000 1.674 378 T CA -0.743 61.241 62.100 -0.193 0.000 1.600 378 T CB 0.037 68.740 68.868 -0.275 0.000 0.974 378 T HN 0.417 nan 8.240 nan 0.000 0.672 379 D N 1.965 122.253 120.400 -0.188 0.000 2.357 379 D HA 0.087 4.729 4.640 0.003 0.000 0.242 379 D C 0.473 176.728 176.300 -0.074 0.000 1.153 379 D CA -0.077 53.848 54.000 -0.125 0.000 0.918 379 D CB 0.582 41.424 40.800 0.070 0.000 1.181 379 D HN 0.518 nan 8.370 nan 0.000 0.435 380 H N 0.720 119.903 119.070 0.187 0.000 3.082 380 H HA 0.199 4.756 4.556 0.003 0.000 0.275 380 H C 1.168 176.556 175.328 0.101 0.000 1.032 380 H CA 0.530 56.663 56.048 0.141 0.000 1.477 380 H CB 0.606 30.465 29.762 0.161 0.000 1.520 380 H HN 0.557 nan 8.280 nan 0.000 0.521 381 A N 2.598 125.505 122.820 0.146 0.000 3.721 381 A HA -0.255 4.067 4.320 0.003 0.000 0.270 381 A C 0.713 178.434 177.584 0.229 0.000 1.036 381 A CA 1.410 53.532 52.037 0.142 0.000 1.102 381 A CB -2.014 17.065 19.000 0.132 0.000 1.100 381 A HN 0.671 nan 8.150 nan 0.000 0.887 382 V N -4.188 115.840 119.914 0.189 0.000 3.130 382 V HA 0.845 4.967 4.120 0.003 0.000 0.310 382 V C 0.575 176.706 176.094 0.062 0.000 1.158 382 V CA -0.048 62.378 62.300 0.210 0.000 1.029 382 V CB 2.064 34.080 31.823 0.321 0.000 1.057 382 V HN 1.530 nan 8.190 nan 0.000 0.436 383 V N -1.287 118.637 119.914 0.016 0.000 2.915 383 V HA 0.390 4.512 4.120 0.003 0.000 0.364 383 V C 1.133 177.139 176.094 -0.148 0.000 1.354 383 V CA 0.311 62.360 62.300 -0.419 0.000 1.213 383 V CB -0.547 30.577 31.823 -1.165 0.000 1.268 383 V HN 0.935 nan 8.190 nan 0.000 0.557 384 Q N 0.352 120.188 119.800 0.059 0.000 2.541 384 Q HA 0.037 4.379 4.340 0.003 0.000 0.215 384 Q C 1.980 178.052 176.000 0.120 0.000 0.977 384 Q CA 1.254 57.106 55.803 0.081 0.000 0.934 384 Q CB 0.084 28.777 28.738 -0.074 0.000 0.988 384 Q HN 0.682 nan 8.270 nan 0.000 0.521 385 S N -0.652 115.164 115.700 0.192 0.000 2.548 385 S HA 0.052 4.524 4.470 0.003 0.000 0.215 385 S C 0.864 175.701 174.600 0.395 0.000 0.976 385 S CA -0.203 58.141 58.200 0.240 0.000 0.908 385 S CB 0.099 63.432 63.200 0.222 0.000 0.781 385 S HN 0.310 nan 8.310 nan 0.000 0.519 386 F N 2.463 122.515 119.950 0.170 0.000 2.063 386 F HA -0.063 4.466 4.527 0.003 0.000 0.298 386 F C -0.520 175.321 175.800 0.069 0.000 1.109 386 F CA 0.822 58.939 58.000 0.196 0.000 1.212 386 F CB -2.369 36.758 39.000 0.212 0.000 0.973 386 F HN 0.197 nan 8.300 nan 0.000 0.480 387 P HA -0.208 nan 4.420 nan 0.000 0.216 387 P C 1.663 179.031 177.300 0.114 0.000 1.153 387 P CA 2.082 65.168 63.100 -0.024 0.000 0.858 387 P CB -0.118 31.447 31.700 -0.225 0.000 0.789 388 E N -0.665 119.599 120.200 0.107 0.000 2.112 388 E HA -0.105 4.247 4.350 0.003 0.000 0.190 388 E C 1.953 178.632 176.600 0.132 0.000 0.979 388 E CA 0.797 57.256 56.400 0.098 0.000 0.814 388 E CB -0.416 29.323 29.700 0.067 0.000 0.762 388 E HN 0.021 nan 8.360 nan 0.000 0.460 389 A N 0.933 123.867 122.820 0.190 0.000 1.883 389 A HA -0.234 4.088 4.320 0.003 0.000 0.217 389 A C 2.079 179.822 177.584 0.265 0.000 1.186 389 A CA 1.593 53.741 52.037 0.183 0.000 0.624 389 A CB -1.009 18.110 19.000 0.197 0.000 0.822 389 A HN 0.535 nan 8.150 nan 0.000 0.444 390 Y N 1.428 121.846 120.300 0.197 0.000 2.097 390 Y HA -0.214 4.338 4.550 0.003 0.000 0.282 390 Y C 2.827 178.786 175.900 0.099 0.000 1.152 390 Y CA 1.358 59.562 58.100 0.173 0.000 1.136 390 Y CB -0.972 37.542 38.460 0.089 0.000 0.975 390 Y HN 0.325 nan 8.280 nan 0.000 0.498 391 S N 0.245 115.967 115.700 0.037 0.000 2.372 391 S HA -0.294 4.177 4.470 0.003 0.000 0.227 391 S C 2.284 176.879 174.600 -0.010 0.000 1.044 391 S CA 1.617 59.770 58.200 -0.078 0.000 1.050 391 S CB -0.943 62.252 63.200 -0.008 0.000 0.901 391 S HN 0.634 nan 8.310 nan 0.000 0.447 392 A N 1.355 124.209 122.820 0.056 0.000 1.898 392 A HA 0.205 4.527 4.320 0.003 0.000 0.216 392 A C 2.369 180.013 177.584 0.101 0.000 1.181 392 A CA 1.617 53.708 52.037 0.090 0.000 0.620 392 A CB -1.146 17.861 19.000 0.011 0.000 0.819 392 A HN 0.518 nan 8.150 nan 0.000 0.442 393 A N 0.161 123.031 122.820 0.082 0.000 1.884 393 A HA -0.273 4.049 4.320 0.003 0.000 0.219 393 A C 2.139 179.767 177.584 0.074 0.000 1.197 393 A CA 2.200 54.293 52.037 0.093 0.000 0.637 393 A CB -0.527 18.577 19.000 0.173 0.000 0.827 393 A HN 0.564 nan 8.150 nan 0.000 0.450 394 K N -0.813 119.586 120.400 -0.000 0.000 2.031 394 K HA -0.131 4.191 4.320 0.003 0.000 0.205 394 K C 2.239 178.826 176.600 -0.021 0.000 1.049 394 K CA 1.519 57.778 56.287 -0.047 0.000 0.939 394 K CB -0.153 32.235 32.500 -0.188 0.000 0.717 394 K HN 0.422 nan 8.250 nan 0.000 0.438 395 K N 0.817 121.212 120.400 -0.008 0.000 2.044 395 K HA -0.178 4.144 4.320 0.003 0.000 0.210 395 K C 1.555 178.104 176.600 -0.085 0.000 1.049 395 K CA 1.664 57.928 56.287 -0.038 0.000 0.927 395 K CB -0.102 32.400 32.500 0.003 0.000 0.713 395 K HN 0.313 nan 8.250 nan 0.000 0.443 396 H N -1.401 117.655 119.070 -0.023 0.000 2.539 396 H HA 0.172 4.730 4.556 0.003 0.000 0.269 396 H C 0.510 175.833 175.328 -0.008 0.000 0.980 396 H CA 0.471 56.509 56.048 -0.016 0.000 1.152 396 H CB 0.417 30.168 29.762 -0.018 0.000 1.407 396 H HN 0.515 nan 8.280 nan 0.000 0.564 397 G N 2.138 110.988 108.800 0.084 0.000 2.323 397 G HA2 -0.309 3.653 3.960 0.003 0.000 0.292 397 G HA3 -0.309 3.653 3.960 0.003 0.000 0.292 397 G C 0.063 175.004 174.900 0.069 0.000 1.040 397 G CA 0.646 45.782 45.100 0.059 0.000 0.942 397 G HN 0.254 nan 8.290 nan 0.000 0.506 398 M N -0.052 119.595 119.600 0.078 0.000 2.404 398 M HA 0.600 5.081 4.480 0.003 0.000 0.338 398 M C 0.219 176.539 176.300 0.034 0.000 1.150 398 M CA -1.268 54.064 55.300 0.053 0.000 1.016 398 M CB 1.160 33.781 32.600 0.036 0.000 1.672 398 M HN 0.142 nan 8.290 nan 0.000 0.448 399 K N 4.093 124.505 120.400 0.020 0.000 2.285 399 K HA 0.472 4.794 4.320 0.003 0.000 0.286 399 K C -1.671 174.883 176.600 -0.076 0.000 1.072 399 K CA -0.448 55.836 56.287 -0.006 0.000 0.913 399 K CB 0.534 33.034 32.500 0.000 0.000 1.067 399 K HN 0.662 nan 8.250 nan 0.000 0.479 400 V N 6.539 126.354 119.914 -0.164 0.000 2.481 400 V HA 0.316 4.438 4.120 0.003 0.000 0.286 400 V C 0.157 175.926 176.094 -0.542 0.000 1.042 400 V CA -0.758 61.305 62.300 -0.394 0.000 0.928 400 V CB 1.417 32.879 31.823 -0.602 0.000 0.986 400 V HN 0.677 nan 8.190 nan 0.000 0.462 401 I N 4.922 125.222 120.570 -0.449 0.000 2.312 401 I HA 0.320 4.492 4.170 0.003 0.000 0.290 401 I C -0.872 174.971 176.117 -0.456 0.000 1.008 401 I CA -0.434 60.653 61.300 -0.355 0.000 1.226 401 I CB 0.624 38.523 38.000 -0.170 0.000 1.371 401 I HN 0.512 nan 8.210 nan 0.000 0.468 402 Y N 5.242 125.401 120.300 -0.234 0.000 2.486 402 Y HA 0.490 5.042 4.550 0.003 0.000 0.348 402 Y C 1.002 176.910 175.900 0.014 0.000 1.000 402 Y CA -0.146 57.706 58.100 -0.414 0.000 1.253 402 Y CB 0.844 38.783 38.460 -0.868 0.000 1.140 402 Y HN 0.651 nan 8.280 nan 0.000 0.526 403 G N 2.800 111.788 108.800 0.313 0.000 3.140 403 G HA2 0.758 4.719 3.960 0.003 0.000 0.271 403 G HA3 0.758 4.719 3.960 0.003 0.000 0.271 403 G C -1.920 173.154 174.900 0.291 0.000 1.370 403 G CA -0.876 44.388 45.100 0.273 0.000 1.014 403 G HN 0.482 nan 8.290 nan 0.000 0.541 404 L N 0.034 121.325 121.223 0.112 0.000 2.526 404 L HA 0.426 4.768 4.340 0.003 0.000 0.263 404 L C -1.084 175.745 176.870 -0.068 0.000 0.943 404 L CA -0.581 54.278 54.840 0.032 0.000 0.859 404 L CB 2.435 44.523 42.059 0.049 0.000 1.313 404 L HN 0.720 nan 8.230 nan 0.000 0.406 405 E N 3.032 123.141 120.200 -0.151 0.000 2.152 405 E HA 0.567 4.919 4.350 0.003 0.000 0.285 405 E C -0.733 175.807 176.600 -0.100 0.000 1.043 405 E CA -0.249 56.040 56.400 -0.185 0.000 0.839 405 E CB 1.332 30.844 29.700 -0.313 0.000 1.069 405 E HN 0.606 nan 8.360 nan 0.000 0.399 406 A N 4.759 127.534 122.820 -0.076 0.000 2.340 406 A HA 0.434 4.756 4.320 0.003 0.000 0.331 406 A C -0.717 176.804 177.584 -0.105 0.000 1.140 406 A CA -0.977 51.021 52.037 -0.066 0.000 0.801 406 A CB 0.937 19.913 19.000 -0.042 0.000 1.234 406 A HN 0.716 nan 8.150 nan 0.000 0.469 407 N N 2.268 120.898 118.700 -0.117 0.000 2.469 407 N HA 0.289 5.031 4.740 0.003 0.000 0.239 407 N C -0.734 174.632 175.510 -0.239 0.000 1.053 407 N CA -0.091 52.871 53.050 -0.145 0.000 0.937 407 N CB 0.823 39.244 38.487 -0.110 0.000 1.163 407 N HN 0.432 nan 8.380 nan 0.000 0.509 408 I N 2.065 122.366 120.570 -0.448 0.000 2.385 408 I HA 0.323 4.495 4.170 0.003 0.000 0.294 408 I C 0.599 176.291 176.117 -0.708 0.000 0.988 408 I CA -1.012 59.919 61.300 -0.615 0.000 1.265 408 I CB 1.168 38.649 38.000 -0.866 0.000 1.388 408 I HN 0.100 nan 8.210 nan 0.000 0.480 409 V N 2.087 121.776 119.914 -0.375 0.000 2.735 409 V HA 0.549 4.671 4.120 0.003 0.000 0.310 409 V C -0.281 175.761 176.094 -0.086 0.000 1.061 409 V CA -0.858 61.329 62.300 -0.189 0.000 0.913 409 V CB 2.391 34.140 31.823 -0.123 0.000 1.005 409 V HN 0.640 nan 8.190 nan 0.000 0.428 410 D N 3.520 123.942 120.400 0.038 0.000 2.350 410 D HA 0.322 4.964 4.640 0.003 0.000 0.249 410 D C -0.842 175.450 176.300 -0.014 0.000 1.119 410 D CA 0.475 54.495 54.000 0.034 0.000 0.886 410 D CB 1.547 42.392 40.800 0.075 0.000 1.195 410 D HN 0.976 nan 8.370 nan 0.000 0.437 619 F N -1.281 118.732 119.950 0.105 0.000 2.611 619 F HA 0.680 5.208 4.527 0.003 0.000 0.324 619 F C -0.156 175.817 175.800 0.288 0.000 1.061 619 F CA -1.020 57.077 58.000 0.161 0.000 0.954 619 F CB 1.492 40.556 39.000 0.105 0.000 1.301 619 F HN 0.060 nan 8.300 nan 0.000 0.482 620 H N 0.582 119.835 119.070 0.306 0.000 2.467 620 H HA 0.675 5.233 4.556 0.003 0.000 0.331 620 H C -0.493 174.992 175.328 0.262 0.000 1.120 620 H CA -1.022 55.150 56.048 0.207 0.000 1.270 620 H CB 2.145 32.044 29.762 0.230 0.000 1.466 620 H HN 0.699 nan 8.280 nan 0.000 0.504 621 V N -0.008 120.043 119.914 0.229 0.000 3.159 621 V HA 0.487 4.609 4.120 0.003 0.000 0.308 621 V C -0.248 175.866 176.094 0.033 0.000 1.190 621 V CA -0.883 61.529 62.300 0.187 0.000 1.037 621 V CB 2.060 34.075 31.823 0.320 0.000 1.060 621 V HN 0.708 nan 8.190 nan 0.000 0.437 622 T N 3.960 118.496 114.554 -0.029 0.000 2.767 622 T HA 0.710 5.062 4.350 0.003 0.000 0.284 622 T C -0.404 174.304 174.700 0.013 0.000 0.973 622 T CA -0.209 61.849 62.100 -0.070 0.000 0.996 622 T CB 0.832 69.668 68.868 -0.054 0.000 0.927 622 T HN 0.646 nan 8.240 nan 0.000 0.456 623 L N 4.225 125.469 121.223 0.034 0.000 2.305 623 L HA 0.574 4.916 4.340 0.003 0.000 0.284 623 L C -0.611 176.327 176.870 0.113 0.000 1.013 623 L CA -0.819 54.066 54.840 0.076 0.000 0.819 623 L CB 1.214 43.310 42.059 0.063 0.000 1.227 623 L HN 0.379 nan 8.230 nan 0.000 0.417 624 L N 3.303 124.613 121.223 0.145 0.000 2.333 624 L HA 0.639 4.981 4.340 0.003 0.000 0.280 624 L C 0.223 177.152 176.870 0.099 0.000 1.004 624 L CA -0.615 54.300 54.840 0.125 0.000 0.820 624 L CB 1.973 44.112 42.059 0.133 0.000 1.247 624 L HN 0.677 nan 8.230 nan 0.000 0.416 625 A N 2.879 125.757 122.820 0.096 0.000 2.354 625 A HA 0.333 4.655 4.320 0.003 0.000 0.281 625 A C 0.697 178.304 177.584 0.039 0.000 1.174 625 A CA -0.293 51.786 52.037 0.069 0.000 0.828 625 A CB 0.543 19.594 19.000 0.084 0.000 1.099 625 A HN 0.906 nan 8.150 nan 0.000 0.516 626 Q N 1.332 121.144 119.800 0.021 0.000 2.354 626 Q HA 0.039 4.381 4.340 0.003 0.000 0.203 626 Q C -0.011 175.986 176.000 -0.004 0.000 0.933 626 Q CA 1.069 56.877 55.803 0.007 0.000 0.901 626 Q CB -0.001 28.739 28.738 0.004 0.000 1.007 626 Q HN 0.958 nan 8.270 nan 0.000 0.495 627 N N -1.538 117.153 118.700 -0.016 0.000 3.277 627 N HA 0.021 4.763 4.740 0.003 0.000 0.278 627 N C -0.449 175.020 175.510 -0.067 0.000 1.544 627 N CA -0.620 52.409 53.050 -0.034 0.000 0.869 627 N CB 0.397 38.865 38.487 -0.030 0.000 1.584 627 N HN -0.177 nan 8.380 nan 0.000 0.564 628 E N -0.909 119.239 120.200 -0.086 0.000 2.153 628 E HA -0.110 4.242 4.350 0.003 0.000 0.194 628 E C 0.921 177.441 176.600 -0.135 0.000 0.988 628 E CA 1.931 58.251 56.400 -0.134 0.000 0.811 628 E CB -0.592 29.030 29.700 -0.130 0.000 0.746 628 E HN 0.638 nan 8.360 nan 0.000 0.466 629 T N 0.656 115.156 114.554 -0.090 0.000 2.652 629 T HA -0.154 4.197 4.350 0.003 0.000 0.267 629 T C 2.032 176.685 174.700 -0.078 0.000 1.039 629 T CA 1.610 63.664 62.100 -0.077 0.000 1.153 629 T CB -0.926 67.911 68.868 -0.051 0.000 0.863 629 T HN 0.483 nan 8.240 nan 0.000 0.428 630 G N 1.323 110.088 108.800 -0.058 0.000 2.469 630 G HA2 -0.194 3.768 3.960 0.003 0.000 0.219 630 G HA3 -0.194 3.768 3.960 0.003 0.000 0.219 630 G C 1.554 176.416 174.900 -0.064 0.000 1.150 630 G CA 1.080 46.158 45.100 -0.036 0.000 0.763 630 G HN 0.430 nan 8.290 nan 0.000 0.561 631 L N 0.664 121.807 121.223 -0.132 0.000 2.005 631 L HA 0.094 4.436 4.340 0.003 0.000 0.207 631 L C 2.698 179.308 176.870 -0.433 0.000 1.072 631 L CA 2.674 57.367 54.840 -0.245 0.000 0.744 631 L CB -0.553 41.296 42.059 -0.351 0.000 0.895 631 L HN 0.260 nan 8.230 nan 0.000 0.433 632 K N -0.403 119.765 120.400 -0.387 0.000 2.063 632 K HA -0.233 4.089 4.320 0.003 0.000 0.208 632 K C 1.922 178.427 176.600 -0.159 0.000 1.048 632 K CA 2.143 58.239 56.287 -0.318 0.000 0.928 632 K CB -0.288 32.094 32.500 -0.197 0.000 0.713 632 K HN 0.543 nan 8.250 nan 0.000 0.442 633 N N 0.388 119.031 118.700 -0.094 0.000 2.104 633 N HA -0.165 4.577 4.740 0.003 0.000 0.190 633 N C 1.815 177.304 175.510 -0.034 0.000 1.024 633 N CA 1.216 54.252 53.050 -0.022 0.000 0.853 633 N CB -0.066 38.445 38.487 0.039 0.000 1.008 633 N HN 0.130 nan 8.380 nan 0.000 0.424 634 L N 0.142 121.365 121.223 0.000 0.000 2.012 634 L HA -0.216 4.125 4.340 0.003 0.000 0.210 634 L C 1.975 178.928 176.870 0.137 0.000 1.073 634 L CA 1.481 56.370 54.840 0.081 0.000 0.748 634 L CB -0.593 41.581 42.059 0.192 0.000 0.891 634 L HN 0.305 nan 8.230 nan 0.000 0.431 635 F N 0.082 119.962 119.950 -0.116 0.000 2.171 635 F HA -0.251 4.278 4.527 0.003 0.000 0.300 635 F C 2.647 178.312 175.800 -0.225 0.000 1.090 635 F CA 0.758 58.657 58.000 -0.169 0.000 1.293 635 F CB -0.095 38.855 39.000 -0.083 0.000 1.013 635 F HN 0.071 nan 8.300 nan 0.000 0.486 636 K N 0.075 120.406 120.400 -0.115 0.000 1.984 636 K HA -0.182 4.140 4.320 0.003 0.000 0.209 636 K C 1.848 178.245 176.600 -0.338 0.000 1.046 636 K CA 0.971 57.009 56.287 -0.415 0.000 0.934 636 K CB -0.397 31.787 32.500 -0.527 0.000 0.717 636 K HN 0.055 nan 8.250 nan 0.000 0.438 637 L N 0.894 121.942 121.223 -0.291 0.000 2.043 637 L HA -0.185 4.157 4.340 0.003 0.000 0.212 637 L C 2.407 179.218 176.870 -0.098 0.000 1.075 637 L CA 1.447 56.170 54.840 -0.195 0.000 0.752 637 L CB -1.042 40.950 42.059 -0.113 0.000 0.891 637 L HN 0.135 nan 8.230 nan 0.000 0.432 638 V N -2.384 117.468 119.914 -0.104 0.000 2.515 638 V HA -0.202 3.920 4.120 0.003 0.000 0.250 638 V C 2.380 178.440 176.094 -0.057 0.000 1.058 638 V CA 1.911 64.157 62.300 -0.091 0.000 1.064 638 V CB -0.153 31.495 31.823 -0.290 0.000 0.675 638 V HN 0.458 nan 8.190 nan 0.000 0.461 639 S N 0.954 116.570 115.700 -0.140 0.000 2.351 639 S HA -0.115 4.357 4.470 0.003 0.000 0.220 639 S C 1.823 176.406 174.600 -0.029 0.000 1.035 639 S CA 2.170 60.317 58.200 -0.088 0.000 1.031 639 S CB -0.600 62.599 63.200 -0.002 0.000 0.928 639 S HN 0.628 nan 8.310 nan 0.000 0.433 640 L N 1.864 123.055 121.223 -0.053 0.000 2.079 640 L HA -0.139 4.203 4.340 0.003 0.000 0.210 640 L C 2.737 179.671 176.870 0.107 0.000 1.081 640 L CA 1.430 56.267 54.840 -0.005 0.000 0.752 640 L CB -0.826 41.248 42.059 0.024 0.000 0.896 640 L HN 0.442 nan 8.230 nan 0.000 0.433 641 S N -1.745 114.029 115.700 0.123 0.000 2.406 641 S HA -0.181 4.291 4.470 0.003 0.000 0.228 641 S C 1.691 176.368 174.600 0.129 0.000 1.020 641 S CA 0.875 59.153 58.200 0.130 0.000 0.965 641 S CB -0.492 62.728 63.200 0.034 0.000 0.798 641 S HN 0.479 nan 8.310 nan 0.000 0.488 642 H N 0.282 119.418 119.070 0.110 0.000 2.544 642 H HA 0.436 4.994 4.556 0.003 0.000 0.269 642 H C 1.537 176.909 175.328 0.074 0.000 0.970 642 H CA 1.110 57.257 56.048 0.166 0.000 1.219 642 H CB 0.114 29.894 29.762 0.030 0.000 1.421 642 H HN 0.412 nan 8.280 nan 0.000 0.555 643 I N -1.247 119.369 120.570 0.076 0.000 3.523 643 I HA -0.036 4.136 4.170 0.003 0.000 0.244 643 I C 1.464 177.583 176.117 0.003 0.000 1.110 643 I CA 0.213 61.475 61.300 -0.062 0.000 1.517 643 I CB 0.045 37.884 38.000 -0.268 0.000 1.505 643 I HN -0.035 nan 8.210 nan 0.000 0.460 644 Q N 0.318 120.022 119.800 -0.159 0.000 2.172 644 Q HA -0.070 4.272 4.340 0.003 0.000 0.200 644 Q C 0.323 176.064 176.000 -0.431 0.000 0.964 644 Q CA 1.500 57.068 55.803 -0.392 0.000 0.855 644 Q CB 0.123 28.425 28.738 -0.726 0.000 0.918 644 Q HN 0.525 nan 8.270 nan 0.000 0.444 645 Y N -1.729 118.621 120.300 0.084 0.000 2.713 645 Y HA 0.273 4.825 4.550 0.003 0.000 0.269 645 Y C -0.626 175.327 175.900 0.088 0.000 1.106 645 Y CA -1.385 56.755 58.100 0.066 0.000 1.174 645 Y CB -0.047 38.425 38.460 0.021 0.000 1.186 645 Y HN -0.057 nan 8.280 nan 0.000 0.555 646 F N 1.360 121.367 119.950 0.094 0.000 2.467 646 F HA 0.189 4.718 4.527 0.003 0.000 0.362 646 F C 1.239 177.087 175.800 0.081 0.000 1.090 646 F CA 0.405 58.446 58.000 0.068 0.000 1.202 646 F CB 0.562 39.600 39.000 0.064 0.000 1.113 646 F HN 0.213 nan 8.300 nan 0.000 0.541 647 H N 5.139 123.965 119.070 -0.407 0.000 2.398 647 H HA 0.330 4.888 4.556 0.003 0.000 0.279 647 H C 1.582 176.765 175.328 -0.242 0.000 1.114 647 H CA 1.596 57.530 56.048 -0.190 0.000 1.609 647 H CB 0.385 30.068 29.762 -0.132 0.000 1.460 647 H HN 0.524 nan 8.280 nan 0.000 0.608 648 R N 0.472 120.880 120.500 -0.154 0.000 2.535 648 R HA 0.576 4.918 4.340 0.003 0.000 0.323 648 R C -0.362 175.701 176.300 -0.395 0.000 0.979 648 R CA 0.449 56.486 56.100 -0.105 0.000 1.120 648 R CB 0.015 30.316 30.300 0.001 0.000 1.306 648 R HN 0.143 nan 8.270 nan 0.000 0.540 649 V N 0.654 119.968 119.914 -1.001 0.000 3.036 649 V HA 0.376 4.498 4.120 0.003 0.000 0.280 649 V C -3.049 172.506 176.094 -0.899 0.000 1.497 649 V CA -1.895 59.975 62.300 -0.717 0.000 0.982 649 V CB 3.035 34.687 31.823 -0.285 0.000 1.171 649 V HN 0.208 nan 8.190 nan 0.000 0.444 650 P HA 0.341 nan 4.420 nan 0.000 0.267 650 P C -1.198 175.967 177.300 -0.224 0.000 1.209 650 P CA 0.002 62.890 63.100 -0.354 0.000 0.763 650 P CB 0.208 31.612 31.700 -0.492 0.000 0.816 651 R N 2.730 123.155 120.500 -0.125 0.000 2.867 651 R HA 0.786 5.128 4.340 0.003 0.000 0.268 651 R C -1.185 175.074 176.300 -0.068 0.000 1.014 651 R CA -1.060 54.979 56.100 -0.102 0.000 0.946 651 R CB 1.503 31.732 30.300 -0.119 0.000 1.208 651 R HN 0.238 nan 8.270 nan 0.000 0.477 652 I N 1.408 121.892 120.570 -0.144 0.000 2.439 652 I HA 0.335 4.506 4.170 0.003 0.000 0.283 652 I C -2.431 173.529 176.117 -0.262 0.000 1.023 652 I CA -2.811 58.379 61.300 -0.184 0.000 1.100 652 I CB 2.302 40.235 38.000 -0.112 0.000 1.238 652 I HN 0.326 nan 8.210 nan 0.000 0.445 653 P HA 0.049 nan 4.420 nan 0.000 0.266 653 P C 0.664 177.853 177.300 -0.184 0.000 1.195 653 P CA -0.179 62.734 63.100 -0.313 0.000 0.768 653 P CB 0.693 32.132 31.700 -0.435 0.000 0.838 654 R N 3.087 123.514 120.500 -0.121 0.000 2.103 654 R HA -0.206 4.136 4.340 0.003 0.000 0.242 654 R C 1.857 178.146 176.300 -0.018 0.000 1.142 654 R CA 2.686 58.754 56.100 -0.053 0.000 0.960 654 R CB -0.909 29.349 30.300 -0.070 0.000 0.858 654 R HN 0.536 nan 8.270 nan 0.000 0.439 655 S N -0.113 115.562 115.700 -0.042 0.000 2.382 655 S HA -0.095 4.376 4.470 0.003 0.000 0.228 655 S C 2.053 176.663 174.600 0.017 0.000 1.027 655 S CA 1.352 59.545 58.200 -0.011 0.000 0.991 655 S CB -0.488 62.700 63.200 -0.020 0.000 0.823 655 S HN 0.203 nan 8.310 nan 0.000 0.469 656 V N 1.944 121.857 119.914 -0.003 0.000 2.427 656 V HA -0.060 4.062 4.120 0.003 0.000 0.248 656 V C 2.495 178.686 176.094 0.162 0.000 1.051 656 V CA 1.586 63.940 62.300 0.091 0.000 1.048 656 V CB -0.852 30.980 31.823 0.016 0.000 0.666 656 V HN 0.492 nan 8.190 nan 0.000 0.456 657 L N -0.186 121.083 121.223 0.078 0.000 1.989 657 L HA -0.186 4.156 4.340 0.003 0.000 0.211 657 L C 2.515 179.454 176.870 0.115 0.000 1.071 657 L CA 1.849 56.752 54.840 0.104 0.000 0.749 657 L CB -0.252 41.871 42.059 0.106 0.000 0.890 657 L HN 0.191 nan 8.230 nan 0.000 0.431 658 V N 0.122 120.100 119.914 0.108 0.000 2.282 658 V HA -0.369 3.753 4.120 0.003 0.000 0.249 658 V C 2.606 178.704 176.094 0.007 0.000 1.057 658 V CA 2.007 64.352 62.300 0.074 0.000 1.032 658 V CB -0.643 31.231 31.823 0.084 0.000 0.645 658 V HN 0.457 nan 8.190 nan 0.000 0.447 659 K N -0.617 119.775 120.400 -0.014 0.000 2.074 659 K HA -0.201 4.121 4.320 0.003 0.000 0.209 659 K C 1.391 177.806 176.600 -0.308 0.000 1.048 659 K CA 1.904 58.090 56.287 -0.169 0.000 0.926 659 K CB -0.149 32.232 32.500 -0.198 0.000 0.713 659 K HN 0.626 nan 8.250 nan 0.000 0.444 660 H N -1.188 117.871 119.070 -0.018 0.000 2.488 660 H HA 0.157 4.715 4.556 0.003 0.000 0.294 660 H C 1.022 176.333 175.328 -0.029 0.000 1.088 660 H CA -0.160 55.869 56.048 -0.032 0.000 1.086 660 H CB 0.613 30.351 29.762 -0.040 0.000 1.569 660 H HN 0.088 nan 8.280 nan 0.000 0.548 661 R N 0.534 121.052 120.500 0.029 0.000 2.200 661 R HA -0.050 4.292 4.340 0.003 0.000 0.208 661 R C 0.028 176.320 176.300 -0.014 0.000 1.033 661 R CA 0.185 56.287 56.100 0.003 0.000 1.000 661 R CB 0.188 30.469 30.300 -0.032 0.000 0.906 661 R HN 0.200 nan 8.270 nan 0.000 0.462 662 D N 0.006 120.392 120.400 -0.024 0.000 2.487 662 D HA 0.022 4.664 4.640 0.003 0.000 0.243 662 D C 0.614 176.902 176.300 -0.020 0.000 1.154 662 D CA 1.805 55.787 54.000 -0.029 0.000 0.876 662 D CB 0.604 41.381 40.800 -0.039 0.000 1.161 662 D HN 0.438 nan 8.370 nan 0.000 0.478 663 G N 2.842 111.631 108.800 -0.018 0.000 2.157 663 G HA2 -0.205 3.757 3.960 0.003 0.000 0.248 663 G HA3 -0.205 3.757 3.960 0.003 0.000 0.248 663 G C 0.127 175.029 174.900 0.004 0.000 0.979 663 G CA 0.292 45.385 45.100 -0.012 0.000 0.650 663 G HN 0.516 nan 8.290 nan 0.000 0.529 664 L N 0.380 121.607 121.223 0.006 0.000 2.346 664 L HA 0.688 5.030 4.340 0.003 0.000 0.276 664 L C 0.425 177.314 176.870 0.032 0.000 1.006 664 L CA -1.118 53.738 54.840 0.027 0.000 0.817 664 L CB 1.805 43.879 42.059 0.025 0.000 1.272 664 L HN -0.018 nan 8.230 nan 0.000 0.421 665 L N 3.543 124.819 121.223 0.088 0.000 2.275 665 L HA 0.489 4.831 4.340 0.003 0.000 0.288 665 L C -0.479 176.485 176.870 0.156 0.000 1.046 665 L CA -0.781 54.150 54.840 0.151 0.000 0.805 665 L CB 1.737 43.950 42.059 0.255 0.000 1.193 665 L HN 0.269 nan 8.230 nan 0.000 0.426 666 V N 2.307 122.214 119.914 -0.012 0.000 2.370 666 V HA 0.547 4.669 4.120 0.003 0.000 0.279 666 V C 0.684 176.535 176.094 -0.405 0.000 1.029 666 V CA -0.484 61.745 62.300 -0.118 0.000 0.870 666 V CB 1.319 33.032 31.823 -0.184 0.000 0.984 666 V HN 0.871 nan 8.190 nan 0.000 0.451 667 G N 2.199 110.573 108.800 -0.710 0.000 2.389 667 G HA2 0.439 4.400 3.960 0.003 0.000 0.328 667 G HA3 0.439 4.400 3.960 0.003 0.000 0.328 667 G C 0.838 175.402 174.900 -0.560 0.000 1.133 667 G CA 0.166 44.516 45.100 -1.249 0.000 0.891 667 G HN 0.843 nan 8.290 nan 0.000 0.485 668 S N 0.930 116.104 115.700 -0.876 0.000 2.555 668 S HA 0.233 4.705 4.470 0.003 0.000 0.230 668 S C 1.835 176.222 174.600 -0.355 0.000 0.978 668 S CA 0.677 58.200 58.200 -1.130 0.000 0.934 668 S CB -0.661 61.919 63.200 -1.033 0.000 0.766 668 S HN 2.110 nan 8.310 nan 0.000 0.533 669 G N 1.149 109.850 108.800 -0.165 0.000 2.627 669 G HA2 -0.395 3.566 3.960 0.003 0.000 0.312 669 G HA3 -0.395 3.566 3.960 0.003 0.000 0.312 669 G C 0.681 175.669 174.900 0.148 0.000 1.299 669 G CA -0.026 45.132 45.100 0.096 0.000 0.989 669 G HN 0.805 nan 8.290 nan 0.000 0.547 670 C N 0.542 120.039 119.300 0.327 0.000 2.935 670 C HA 0.265 4.726 4.460 0.003 0.000 0.316 670 C C 2.507 177.539 174.990 0.071 0.000 1.364 670 C CA 1.815 61.028 59.018 0.324 0.000 1.917 670 C CB -0.540 27.415 27.740 0.357 0.000 2.288 670 C HN 1.017 nan 8.230 nan 0.000 0.720 671 D N -0.510 119.860 120.400 -0.050 0.000 2.323 671 D HA -0.040 4.602 4.640 0.003 0.000 0.209 671 D C 1.252 177.519 176.300 -0.056 0.000 0.973 671 D CA 1.037 54.824 54.000 -0.355 0.000 0.874 671 D CB -0.156 40.431 40.800 -0.353 0.000 0.930 671 D HN 0.529 nan 8.370 nan 0.000 0.521 672 K N 0.244 120.608 120.400 -0.060 0.000 2.437 672 K HA 0.254 4.576 4.320 0.003 0.000 0.198 672 K C 0.946 177.564 176.600 0.029 0.000 1.024 672 K CA -0.128 56.079 56.287 -0.133 0.000 1.148 672 K CB 0.829 32.997 32.500 -0.553 0.000 0.860 672 K HN 0.195 nan 8.250 nan 0.000 0.515 673 G N 0.728 109.610 108.800 0.136 0.000 2.636 673 G HA2 -0.094 3.868 3.960 0.003 0.000 0.246 673 G HA3 -0.094 3.868 3.960 0.003 0.000 0.246 673 G C 0.444 175.404 174.900 0.100 0.000 1.216 673 G CA -0.349 44.871 45.100 0.201 0.000 0.854 673 G HN 0.253 nan 8.290 nan 0.000 0.572 674 E N 0.021 120.180 120.200 -0.068 0.000 2.038 674 E HA -0.197 4.155 4.350 0.003 0.000 0.195 674 E C 2.414 178.910 176.600 -0.175 0.000 1.000 674 E CA 1.507 57.645 56.400 -0.435 0.000 0.803 674 E CB -0.113 29.087 29.700 -0.832 0.000 0.750 674 E HN 0.524 nan 8.360 nan 0.000 0.448 675 L N -1.095 120.076 121.223 -0.087 0.000 2.127 675 L HA 0.031 4.373 4.340 0.003 0.000 0.203 675 L C 2.413 179.272 176.870 -0.017 0.000 1.080 675 L CA 0.987 55.797 54.840 -0.050 0.000 0.768 675 L CB -0.631 41.408 42.059 -0.034 0.000 0.924 675 L HN 0.095 nan 8.230 nan 0.000 0.444 676 F N 2.132 122.033 119.950 -0.083 0.000 2.184 676 F HA -0.270 4.258 4.527 0.003 0.000 0.301 676 F C 1.340 177.105 175.800 -0.059 0.000 1.076 676 F CA 1.802 59.764 58.000 -0.064 0.000 1.295 676 F CB -0.460 38.529 39.000 -0.019 0.000 1.026 676 F HN 0.292 nan 8.300 nan 0.000 0.494 677 D N 0.969 121.467 120.400 0.164 0.000 2.826 677 D HA 0.045 4.687 4.640 0.003 0.000 0.247 677 D C -0.564 175.719 176.300 -0.028 0.000 1.238 677 D CA 0.206 54.260 54.000 0.089 0.000 0.894 677 D CB -0.513 40.324 40.800 0.062 0.000 1.100 677 D HN 0.264 nan 8.370 nan 0.000 0.453 688 E N -1.240 118.951 120.200 -0.014 0.000 2.608 688 E HA 0.060 4.412 4.350 0.003 0.000 0.204 688 E C 1.007 177.617 176.600 0.017 0.000 0.884 688 E CA 0.487 56.888 56.400 0.002 0.000 1.533 688 E CB 0.620 30.319 29.700 -0.001 0.000 1.559 688 E HN 0.482 nan 8.360 nan 0.000 0.864 689 D N 1.234 121.637 120.400 0.005 0.000 2.117 689 D HA -0.112 4.530 4.640 0.003 0.000 0.197 689 D C 1.926 178.240 176.300 0.024 0.000 0.987 689 D CA 0.906 54.912 54.000 0.010 0.000 0.829 689 D CB 0.022 40.815 40.800 -0.012 0.000 0.961 689 D HN 0.266 nan 8.370 nan 0.000 0.460 690 I N 1.356 121.931 120.570 0.007 0.000 2.143 690 I HA -0.360 3.812 4.170 0.003 0.000 0.245 690 I C 2.457 178.682 176.117 0.180 0.000 1.068 690 I CA 1.583 62.899 61.300 0.028 0.000 1.326 690 I CB -0.193 37.808 38.000 0.003 0.000 1.028 690 I HN -0.044 nan 8.210 nan 0.000 0.412 691 A N 0.039 122.966 122.820 0.178 0.000 1.929 691 A HA -0.134 4.188 4.320 0.003 0.000 0.216 691 A C 2.297 180.031 177.584 0.251 0.000 1.176 691 A CA 0.985 53.185 52.037 0.272 0.000 0.628 691 A CB -0.485 18.599 19.000 0.140 0.000 0.816 691 A HN 0.298 nan 8.150 nan 0.000 0.444 692 R N -1.781 118.804 120.500 0.142 0.000 2.377 692 R HA -0.080 4.262 4.340 0.003 0.000 0.207 692 R C 1.333 177.680 176.300 0.077 0.000 1.075 692 R CA 0.857 57.013 56.100 0.093 0.000 1.035 692 R CB -0.357 29.979 30.300 0.060 0.000 0.857 692 R HN 0.645 nan 8.270 nan 0.000 0.475 693 F N -0.272 119.599 119.950 -0.132 0.000 2.569 693 F HA 0.055 4.584 4.527 0.003 0.000 0.295 693 F C -0.186 175.331 175.800 -0.472 0.000 1.115 693 F CA 0.103 57.897 58.000 -0.344 0.000 1.450 693 F CB 0.305 38.999 39.000 -0.510 0.000 1.107 693 F HN -0.199 nan 8.300 nan 0.000 0.563 694 Y N 1.043 121.284 120.300 -0.099 0.000 2.334 694 Y HA 0.210 4.762 4.550 0.003 0.000 0.328 694 Y C 1.354 177.162 175.900 -0.153 0.000 1.130 694 Y CA -0.887 57.084 58.100 -0.215 0.000 1.163 694 Y CB 0.597 38.966 38.460 -0.151 0.000 1.207 694 Y HN -0.043 nan 8.280 nan 0.000 0.471 695 D N 2.159 122.548 120.400 -0.018 0.000 2.317 695 D HA -0.028 4.613 4.640 0.003 0.000 0.211 695 D C -0.278 176.180 176.300 0.263 0.000 0.966 695 D CA 1.089 55.145 54.000 0.095 0.000 0.876 695 D CB 0.172 41.044 40.800 0.120 0.000 0.927 695 D HN 0.384 nan 8.370 nan 0.000 0.519 696 F N -0.878 119.123 119.950 0.086 0.000 2.631 696 F HA 0.528 5.057 4.527 0.003 0.000 0.308 696 F C -1.691 174.136 175.800 0.045 0.000 1.097 696 F CA -1.562 56.471 58.000 0.054 0.000 0.952 696 F CB 0.871 39.884 39.000 0.023 0.000 1.307 696 F HN -0.428 nan 8.300 nan 0.000 0.450 697 L N 2.773 124.105 121.223 0.181 0.000 2.287 697 L HA 0.454 4.796 4.340 0.003 0.000 0.287 697 L C -0.220 176.715 176.870 0.109 0.000 1.022 697 L CA -0.611 54.256 54.840 0.046 0.000 0.814 697 L CB 1.249 43.335 42.059 0.045 0.000 1.217 697 L HN 0.708 nan 8.230 nan 0.000 0.420 698 E N 1.985 122.214 120.200 0.048 0.000 2.277 698 E HA 0.637 4.989 4.350 0.003 0.000 0.274 698 E C -1.142 175.479 176.600 0.034 0.000 1.022 698 E CA -0.600 55.849 56.400 0.082 0.000 0.853 698 E CB 2.474 32.229 29.700 0.092 0.000 1.086 698 E HN 0.231 nan 8.360 nan 0.000 0.397 699 V N 3.619 123.558 119.914 0.042 0.000 2.668 699 V HA 0.165 4.287 4.120 0.003 0.000 0.304 699 V C -0.921 175.331 176.094 0.264 0.000 1.071 699 V CA -0.804 61.603 62.300 0.179 0.000 0.894 699 V CB 1.669 33.603 31.823 0.184 0.000 1.008 699 V HN 0.661 nan 8.190 nan 0.000 0.425 700 H N 4.082 123.473 119.070 0.535 0.000 2.508 700 H HA 0.473 5.031 4.556 0.003 0.000 0.344 700 H C -2.448 173.146 175.328 0.442 0.000 1.192 700 H CA -2.367 53.837 56.048 0.260 0.000 1.290 700 H CB 1.282 30.815 29.762 -0.382 0.000 1.571 700 H HN 0.328 nan 8.280 nan 0.000 0.555 701 P HA -0.068 nan 4.420 nan 0.000 0.264 701 P C -1.669 175.660 177.300 0.049 0.000 1.183 701 P CA -0.698 62.370 63.100 -0.054 0.000 0.763 701 P CB 0.233 31.875 31.700 -0.097 0.000 0.807 702 P HA -0.271 nan 4.420 nan 0.000 0.218 702 P C 0.987 178.353 177.300 0.111 0.000 1.154 702 P CA 1.655 64.835 63.100 0.133 0.000 0.872 702 P CB -0.033 31.638 31.700 -0.048 0.000 0.790 703 D N -0.474 119.928 120.400 0.003 0.000 2.106 703 D HA -0.123 4.519 4.640 0.003 0.000 0.191 703 D C 2.090 178.372 176.300 -0.030 0.000 0.997 703 D CA 0.983 54.979 54.000 -0.006 0.000 0.834 703 D CB -0.995 39.794 40.800 -0.018 0.000 0.956 703 D HN -0.050 nan 8.370 nan 0.000 0.448 704 V N 0.364 120.204 119.914 -0.124 0.000 2.527 704 V HA -0.273 3.849 4.120 0.003 0.000 0.255 704 V C 1.740 177.668 176.094 -0.277 0.000 1.081 704 V CA 1.511 63.650 62.300 -0.269 0.000 1.092 704 V CB -0.736 30.811 31.823 -0.461 0.000 0.673 704 V HN 0.316 nan 8.190 nan 0.000 0.470 705 Y N 0.181 120.473 120.300 -0.013 0.000 2.511 705 Y HA 0.099 4.651 4.550 0.003 0.000 0.279 705 Y C 2.271 178.170 175.900 -0.002 0.000 1.157 705 Y CA 0.653 58.745 58.100 -0.015 0.000 1.300 705 Y CB -0.668 37.814 38.460 0.037 0.000 1.052 705 Y HN 0.257 nan 8.280 nan 0.000 0.529 706 K N 0.783 121.246 120.400 0.105 0.000 2.228 706 K HA -0.135 4.187 4.320 0.003 0.000 0.205 706 K C -1.295 175.339 176.600 0.056 0.000 1.045 706 K CA 0.983 57.312 56.287 0.070 0.000 0.931 706 K CB -2.544 29.978 32.500 0.036 0.000 0.727 706 K HN 0.251 nan 8.250 nan 0.000 0.458 707 P HA 0.493 nan 4.420 nan 0.000 0.270 707 P C -0.237 177.097 177.300 0.057 0.000 1.242 707 P CA 0.775 63.898 63.100 0.038 0.000 0.768 707 P CB 0.129 31.841 31.700 0.020 0.000 0.820 715 K N 0.626 121.024 120.400 -0.003 0.000 2.063 715 K HA 0.556 4.878 4.320 0.003 0.000 0.204 715 K C 0.540 177.137 176.600 -0.005 0.000 1.039 715 K CA 2.477 58.761 56.287 -0.006 0.000 0.957 715 K CB -0.098 32.394 32.500 -0.015 0.000 0.764 715 K HN 2.051 nan 8.250 nan 0.000 0.447 716 D N -3.057 117.337 120.400 -0.011 0.000 2.665 716 D HA 0.031 4.673 4.640 0.003 0.000 0.287 716 D C 0.421 176.708 176.300 -0.022 0.000 1.266 716 D CA -0.141 53.851 54.000 -0.014 0.000 0.830 716 D CB 0.564 41.352 40.800 -0.020 0.000 1.356 716 D HN 0.127 nan 8.370 nan 0.000 0.437 717 E N -0.372 119.811 120.200 -0.028 0.000 2.209 717 E HA -0.281 4.071 4.350 0.003 0.000 0.196 717 E C 1.108 177.652 176.600 -0.094 0.000 0.993 717 E CA 1.409 57.781 56.400 -0.047 0.000 0.819 717 E CB 0.175 29.844 29.700 -0.051 0.000 0.745 717 E HN 0.409 nan 8.360 nan 0.000 0.477 718 E N 0.537 120.684 120.200 -0.089 0.000 2.106 718 E HA -0.172 4.180 4.350 0.003 0.000 0.192 718 E C 2.018 178.557 176.600 -0.103 0.000 0.984 718 E CA 1.310 57.643 56.400 -0.111 0.000 0.806 718 E CB -0.216 29.436 29.700 -0.079 0.000 0.750 718 E HN 0.412 nan 8.360 nan 0.000 0.458 719 M N -0.430 119.124 119.600 -0.076 0.000 2.077 719 M HA -0.114 4.368 4.480 0.003 0.000 0.261 719 M C 1.927 178.172 176.300 -0.091 0.000 1.070 719 M CA 1.487 56.742 55.300 -0.075 0.000 1.125 719 M CB -0.166 32.399 32.600 -0.057 0.000 1.339 719 M HN 0.151 nan 8.290 nan 0.000 0.409 720 I N 0.902 121.430 120.570 -0.070 0.000 2.113 720 I HA -0.400 3.771 4.170 0.003 0.000 0.242 720 I C 2.369 178.429 176.117 -0.094 0.000 1.064 720 I CA 1.863 63.121 61.300 -0.071 0.000 1.320 720 I CB -0.551 37.445 38.000 -0.006 0.000 1.028 720 I HN 0.349 nan 8.210 nan 0.000 0.406 721 K N 0.381 120.697 120.400 -0.139 0.000 2.074 721 K HA -0.226 4.096 4.320 0.003 0.000 0.209 721 K C 1.886 178.438 176.600 -0.081 0.000 1.048 721 K CA 1.796 57.938 56.287 -0.241 0.000 0.926 721 K CB -0.344 31.856 32.500 -0.500 0.000 0.713 721 K HN 0.355 nan 8.250 nan 0.000 0.444 722 N N 1.004 119.656 118.700 -0.079 0.000 2.084 722 N HA -0.121 4.620 4.740 0.003 0.000 0.190 722 N C 1.883 177.362 175.510 -0.051 0.000 1.030 722 N CA 1.132 54.158 53.050 -0.040 0.000 0.849 722 N CB -0.291 38.160 38.487 -0.059 0.000 1.012 722 N HN 0.154 nan 8.380 nan 0.000 0.423 723 I N 1.078 121.574 120.570 -0.124 0.000 2.208 723 I HA -0.227 3.945 4.170 0.003 0.000 0.245 723 I C 2.028 178.060 176.117 -0.142 0.000 1.097 723 I CA 0.889 62.054 61.300 -0.226 0.000 1.363 723 I CB -0.176 37.548 38.000 -0.460 0.000 1.051 723 I HN 0.060 nan 8.210 nan 0.000 0.413 724 I N 0.092 120.649 120.570 -0.022 0.000 2.208 724 I HA -0.308 3.863 4.170 0.003 0.000 0.245 724 I C 2.676 178.878 176.117 0.143 0.000 1.097 724 I CA 1.389 62.769 61.300 0.133 0.000 1.363 724 I CB -0.373 37.831 38.000 0.340 0.000 1.051 724 I HN 0.148 nan 8.210 nan 0.000 0.413 725 R N 0.439 121.033 120.500 0.156 0.000 2.148 725 R HA -0.127 4.215 4.340 0.003 0.000 0.227 725 R C 2.511 178.839 176.300 0.045 0.000 1.103 725 R CA 1.690 57.867 56.100 0.128 0.000 0.983 725 R CB -0.145 30.247 30.300 0.155 0.000 0.874 725 R HN 0.478 nan 8.270 nan 0.000 0.451 726 S N 0.110 115.811 115.700 0.001 0.000 2.414 726 S HA -0.038 4.434 4.470 0.003 0.000 0.227 726 S C 1.927 176.512 174.600 -0.025 0.000 1.022 726 S CA 0.561 58.745 58.200 -0.026 0.000 0.958 726 S CB -0.212 62.950 63.200 -0.064 0.000 0.797 726 S HN 0.184 nan 8.310 nan 0.000 0.493 727 I N 1.613 122.168 120.570 -0.025 0.000 2.315 727 I HA -0.119 4.053 4.170 0.003 0.000 0.248 727 I C 2.362 178.484 176.117 0.009 0.000 1.117 727 I CA 0.767 62.061 61.300 -0.010 0.000 1.404 727 I CB -0.378 37.626 38.000 0.006 0.000 1.071 727 I HN 0.175 nan 8.210 nan 0.000 0.419 728 V N 1.012 120.937 119.914 0.019 0.000 2.287 728 V HA -0.334 3.788 4.120 0.003 0.000 0.248 728 V C 2.728 178.824 176.094 0.004 0.000 1.053 728 V CA 2.048 64.353 62.300 0.008 0.000 1.027 728 V CB -1.156 30.673 31.823 0.010 0.000 0.646 728 V HN 0.507 nan 8.190 nan 0.000 0.447 729 A N -0.240 122.584 122.820 0.006 0.000 1.865 729 A HA -0.222 4.100 4.320 0.003 0.000 0.217 729 A C 2.172 179.756 177.584 0.001 0.000 1.191 729 A CA 2.104 54.142 52.037 0.002 0.000 0.623 729 A CB -0.703 18.297 19.000 -0.001 0.000 0.826 729 A HN 0.403 nan 8.150 nan 0.000 0.444 730 L N -0.052 121.171 121.223 -0.000 0.000 2.042 730 L HA -0.107 4.235 4.340 0.003 0.000 0.210 730 L C 2.588 179.466 176.870 0.014 0.000 1.076 730 L CA 2.111 56.954 54.840 0.005 0.000 0.749 730 L CB -1.277 40.783 42.059 0.002 0.000 0.893 730 L HN 0.395 nan 8.230 nan 0.000 0.432 731 G N -1.835 106.973 108.800 0.015 0.000 2.408 731 G HA2 -0.262 3.700 3.960 0.003 0.000 0.217 731 G HA3 -0.262 3.700 3.960 0.003 0.000 0.217 731 G C 1.554 176.463 174.900 0.015 0.000 1.150 731 G CA 0.667 45.780 45.100 0.022 0.000 0.776 731 G HN 0.474 nan 8.290 nan 0.000 0.542 732 E N -0.012 120.192 120.200 0.006 0.000 2.072 732 E HA -0.110 4.242 4.350 0.003 0.000 0.191 732 E C 2.412 179.015 176.600 0.004 0.000 0.985 732 E CA 0.750 57.151 56.400 0.001 0.000 0.801 732 E CB -0.046 29.652 29.700 -0.004 0.000 0.750 732 E HN 0.151 nan 8.360 nan 0.000 0.452 733 K N 0.726 121.129 120.400 0.005 0.000 2.032 733 K HA -0.132 4.190 4.320 0.003 0.000 0.209 733 K C 1.829 178.434 176.600 0.009 0.000 1.048 733 K CA 1.195 57.485 56.287 0.005 0.000 0.927 733 K CB -0.239 32.263 32.500 0.004 0.000 0.712 733 K HN 0.244 nan 8.250 nan 0.000 0.441 734 L N 0.992 122.224 121.223 0.015 0.000 2.629 734 L HA 0.039 4.380 4.340 0.003 0.000 0.230 734 L C 0.039 176.922 176.870 0.021 0.000 1.151 734 L CA -0.086 54.766 54.840 0.020 0.000 0.924 734 L CB -0.299 41.778 42.059 0.031 0.000 1.137 734 L HN 0.189 nan 8.230 nan 0.000 0.457 735 D N 1.540 121.950 120.400 0.016 0.000 2.701 735 D HA -0.228 4.414 4.640 0.003 0.000 0.235 735 D C -0.248 176.067 176.300 0.026 0.000 1.155 735 D CA 0.743 54.753 54.000 0.016 0.000 0.649 735 D CB -0.770 40.037 40.800 0.011 0.000 1.050 735 D HN 0.299 nan 8.370 nan 0.000 0.425 736 I N 0.338 120.930 120.570 0.035 0.000 2.362 736 I HA 0.315 4.487 4.170 0.003 0.000 0.289 736 I C -1.922 174.230 176.117 0.058 0.000 0.994 736 I CA -2.144 59.190 61.300 0.056 0.000 1.158 736 I CB 1.663 39.708 38.000 0.074 0.000 1.315 736 I HN -0.155 nan 8.210 nan 0.000 0.451 737 P HA 0.018 nan 4.420 nan 0.000 0.264 737 P C -0.503 176.843 177.300 0.078 0.000 1.193 737 P CA 0.023 63.153 63.100 0.051 0.000 0.763 737 P CB 0.492 32.218 31.700 0.044 0.000 0.810 738 V N 4.965 124.898 119.914 0.031 0.000 2.427 738 V HA 0.353 4.475 4.120 0.003 0.000 0.286 738 V C 0.395 176.481 176.094 -0.013 0.000 1.034 738 V CA -0.470 61.846 62.300 0.026 0.000 0.893 738 V CB 1.643 33.459 31.823 -0.011 0.000 0.982 738 V HN 0.385 nan 8.190 nan 0.000 0.452 739 V N 2.266 122.192 119.914 0.021 0.000 2.588 739 V HA 0.899 5.021 4.120 0.003 0.000 0.304 739 V C 0.157 176.220 176.094 -0.052 0.000 1.042 739 V CA -1.066 61.214 62.300 -0.034 0.000 0.877 739 V CB 1.526 33.331 31.823 -0.031 0.000 0.996 739 V HN 0.951 nan 8.190 nan 0.000 0.425 740 A N 3.826 126.546 122.820 -0.166 0.000 2.376 740 A HA 0.665 4.987 4.320 0.003 0.000 0.298 740 A C 0.686 178.293 177.584 0.038 0.000 1.271 740 A CA 0.406 52.332 52.037 -0.186 0.000 0.926 740 A CB -0.462 18.231 19.000 -0.512 0.000 1.141 740 A HN 1.484 nan 8.150 nan 0.000 0.539 741 T N -0.428 114.234 114.554 0.181 0.000 2.940 741 T HA 0.623 4.975 4.350 0.003 0.000 0.288 741 T C 0.989 175.845 174.700 0.260 0.000 1.033 741 T CA -0.001 62.240 62.100 0.236 0.000 1.033 741 T CB 1.807 70.865 68.868 0.317 0.000 1.079 741 T HN 0.599 nan 8.240 nan 0.000 0.496 742 G N 0.336 109.198 108.800 0.104 0.000 2.656 742 G HA2 0.081 4.043 3.960 0.003 0.000 0.211 742 G HA3 0.081 4.043 3.960 0.003 0.000 0.211 742 G C 0.758 175.472 174.900 -0.309 0.000 1.137 742 G CA 0.009 45.083 45.100 -0.044 0.000 0.802 742 G HN 0.939 nan 8.290 nan 0.000 0.527 743 N N -0.141 118.295 118.700 -0.440 0.000 2.725 743 N HA -0.162 4.580 4.740 0.003 0.000 0.251 743 N C 0.176 175.544 175.510 -0.236 0.000 1.031 743 N CA 0.445 53.117 53.050 -0.629 0.000 0.720 743 N CB -1.498 36.401 38.487 -0.980 0.000 0.930 743 N HN 0.098 nan 8.380 nan 0.000 0.543 744 V N 1.271 121.060 119.914 -0.209 0.000 2.540 744 V HA -0.084 4.038 4.120 0.003 0.000 0.297 744 V C 1.370 177.342 176.094 -0.203 0.000 1.024 744 V CA 0.632 62.803 62.300 -0.214 0.000 1.105 744 V CB 0.675 32.334 31.823 -0.274 0.000 0.938 744 V HN 0.390 nan 8.190 nan 0.000 0.482 745 H N 3.504 122.387 119.070 -0.311 0.000 2.923 745 H HA 0.405 4.963 4.556 0.003 0.000 0.268 745 H C -0.536 174.804 175.328 0.021 0.000 1.148 745 H CA -0.075 55.906 56.048 -0.113 0.000 1.146 745 H CB 0.411 30.131 29.762 -0.071 0.000 1.607 745 H HN 0.780 nan 8.280 nan 0.000 0.566 746 Y N -4.510 115.886 120.300 0.160 0.000 2.810 746 Y HA 0.122 4.674 4.550 0.003 0.000 0.355 746 Y C -0.270 175.734 175.900 0.172 0.000 1.211 746 Y CA -1.104 57.079 58.100 0.138 0.000 1.112 746 Y CB 0.306 38.855 38.460 0.147 0.000 1.383 746 Y HN -0.147 nan 8.280 nan 0.000 0.458 747 L N 0.893 122.325 121.223 0.349 0.000 1.961 747 L HA 0.040 4.382 4.340 0.003 0.000 0.209 747 L C 0.011 177.128 176.870 0.411 0.000 1.075 747 L CA 1.553 56.580 54.840 0.312 0.000 0.749 747 L CB -0.293 41.861 42.059 0.159 0.000 0.890 747 L HN 0.794 nan 8.230 nan 0.000 0.433 748 N N -1.091 117.794 118.700 0.308 0.000 2.384 748 N HA 0.227 4.969 4.740 0.003 0.000 0.301 748 N C -1.959 173.621 175.510 0.115 0.000 1.133 748 N CA -1.525 51.613 53.050 0.147 0.000 0.853 748 N CB 1.270 39.748 38.487 -0.014 0.000 1.241 748 N HN -0.123 nan 8.380 nan 0.000 0.502 749 P HA -0.195 nan 4.420 nan 0.000 0.218 749 P C 0.497 177.745 177.300 -0.086 0.000 1.154 749 P CA 1.804 64.777 63.100 -0.210 0.000 0.872 749 P CB 0.374 31.805 31.700 -0.449 0.000 0.790 750 E N -0.954 119.153 120.200 -0.156 0.000 2.208 750 E HA -0.130 4.222 4.350 0.003 0.000 0.193 750 E C 1.495 177.877 176.600 -0.365 0.000 0.988 750 E CA 0.859 57.130 56.400 -0.215 0.000 0.828 750 E CB -0.960 28.637 29.700 -0.172 0.000 0.763 750 E HN 0.294 nan 8.360 nan 0.000 0.478 751 D N 1.011 121.217 120.400 -0.322 0.000 2.389 751 D HA -0.160 4.482 4.640 0.003 0.000 0.221 751 D C 1.504 177.376 176.300 -0.713 0.000 0.974 751 D CA 0.639 54.445 54.000 -0.323 0.000 0.923 751 D CB -0.074 40.725 40.800 -0.001 0.000 0.892 751 D HN 0.220 nan 8.370 nan 0.000 0.518 752 K N 0.710 120.550 120.400 -0.933 0.000 2.063 752 K HA -0.193 4.129 4.320 0.003 0.000 0.208 752 K C 2.083 178.340 176.600 -0.572 0.000 1.048 752 K CA 0.739 56.428 56.287 -0.997 0.000 0.928 752 K CB -0.203 32.017 32.500 -0.467 0.000 0.713 752 K HN 0.057 nan 8.250 nan 0.000 0.442 753 I N 1.044 121.280 120.570 -0.556 0.000 2.335 753 I HA -0.289 3.882 4.170 0.003 0.000 0.251 753 I C 1.372 177.201 176.117 -0.481 0.000 1.129 753 I CA 1.480 62.474 61.300 -0.509 0.000 1.402 753 I CB -0.181 37.497 38.000 -0.536 0.000 1.069 753 I HN 0.204 nan 8.210 nan 0.000 0.424 754 Y N 0.338 120.466 120.300 -0.288 0.000 2.200 754 Y HA -0.168 4.383 4.550 0.003 0.000 0.290 754 Y C 2.750 178.538 175.900 -0.188 0.000 1.137 754 Y CA 1.699 59.663 58.100 -0.226 0.000 1.163 754 Y CB -1.065 37.289 38.460 -0.177 0.000 0.988 754 Y HN 0.165 nan 8.280 nan 0.000 0.518 755 R N 1.053 121.519 120.500 -0.057 0.000 2.081 755 R HA -0.160 4.182 4.340 0.003 0.000 0.235 755 R C 2.287 178.548 176.300 -0.065 0.000 1.131 755 R CA 1.676 57.767 56.100 -0.016 0.000 0.960 755 R CB -0.211 30.117 30.300 0.046 0.000 0.856 755 R HN 0.229 nan 8.270 nan 0.000 0.436 756 K N 0.352 120.666 120.400 -0.143 0.000 2.057 756 K HA -0.127 4.195 4.320 0.003 0.000 0.207 756 K C 1.993 178.490 176.600 -0.172 0.000 1.049 756 K CA 1.801 58.010 56.287 -0.130 0.000 0.931 756 K CB -0.096 32.301 32.500 -0.173 0.000 0.714 756 K HN 0.250 nan 8.250 nan 0.000 0.440 757 I N 1.011 121.374 120.570 -0.345 0.000 2.226 757 I HA -0.303 3.868 4.170 0.003 0.000 0.245 757 I C 2.275 178.312 176.117 -0.133 0.000 1.100 757 I CA 1.005 62.069 61.300 -0.394 0.000 1.374 757 I CB -0.214 37.549 38.000 -0.395 0.000 1.057 757 I HN 0.191 nan 8.210 nan 0.000 0.413 758 L N 0.480 121.648 121.223 -0.092 0.000 1.976 758 L HA -0.240 4.102 4.340 0.003 0.000 0.209 758 L C 2.574 179.359 176.870 -0.141 0.000 1.071 758 L CA 1.631 56.398 54.840 -0.122 0.000 0.746 758 L CB -0.425 41.627 42.059 -0.011 0.000 0.890 758 L HN 0.175 nan 8.230 nan 0.000 0.432 759 I N -0.720 119.817 120.570 -0.056 0.000 2.194 759 I HA -0.406 3.765 4.170 0.003 0.000 0.246 759 I C 2.537 178.640 176.117 -0.023 0.000 1.093 759 I CA 1.782 63.059 61.300 -0.038 0.000 1.355 759 I CB -0.425 37.567 38.000 -0.013 0.000 1.046 759 I HN 0.394 nan 8.210 nan 0.000 0.413 760 H N 0.403 119.442 119.070 -0.051 0.000 2.457 760 H HA -0.143 4.415 4.556 0.003 0.000 0.294 760 H C 2.357 177.655 175.328 -0.051 0.000 1.064 760 H CA 1.429 57.491 56.048 0.023 0.000 1.330 760 H CB 0.108 29.999 29.762 0.216 0.000 1.395 760 H HN 0.345 nan 8.280 nan 0.000 0.541 761 S N -0.330 115.320 115.700 -0.084 0.000 2.442 761 S HA -0.194 4.277 4.470 0.003 0.000 0.236 761 S C 1.854 176.309 174.600 -0.242 0.000 1.007 761 S CA 1.268 59.307 58.200 -0.269 0.000 0.965 761 S CB -0.142 62.460 63.200 -0.996 0.000 0.773 761 S HN 0.671 nan 8.310 nan 0.000 0.504 762 Q N 0.760 120.435 119.800 -0.209 0.000 2.245 762 Q HA 0.335 4.677 4.340 0.003 0.000 0.201 762 Q C 1.304 177.227 176.000 -0.128 0.000 0.955 762 Q CA 0.374 56.094 55.803 -0.138 0.000 0.870 762 Q CB -0.190 28.488 28.738 -0.100 0.000 0.945 762 Q HN 0.768 nan 8.270 nan 0.000 0.461 763 G N -0.492 108.191 108.800 -0.196 0.000 2.627 763 G HA2 -0.228 3.734 3.960 0.003 0.000 0.214 763 G HA3 -0.228 3.734 3.960 0.003 0.000 0.214 763 G C 0.398 175.221 174.900 -0.130 0.000 1.331 763 G CA -0.608 44.378 45.100 -0.191 0.000 0.891 763 G HN 0.305 nan 8.290 nan 0.000 0.539 764 G N -0.065 108.676 108.800 -0.098 0.000 2.653 764 G HA2 0.378 4.340 3.960 0.003 0.000 0.212 764 G HA3 0.378 4.340 3.960 0.003 0.000 0.212 764 G C 1.706 176.579 174.900 -0.045 0.000 1.138 764 G CA 2.247 47.310 45.100 -0.063 0.000 0.782 764 G HN 1.855 nan 8.290 nan 0.000 0.535 765 A N 0.956 123.747 122.820 -0.048 0.000 1.897 765 A HA -0.020 4.302 4.320 0.003 0.000 0.215 765 A C 2.032 179.599 177.584 -0.028 0.000 1.181 765 A CA 1.542 53.561 52.037 -0.030 0.000 0.620 765 A CB -0.416 18.569 19.000 -0.025 0.000 0.821 765 A HN 0.515 nan 8.150 nan 0.000 0.443 766 N N -0.577 118.099 118.700 -0.040 0.000 2.354 766 N HA -0.016 4.725 4.740 0.003 0.000 0.179 766 N C -1.720 173.771 175.510 -0.032 0.000 1.021 766 N CA -0.054 52.974 53.050 -0.036 0.000 0.887 766 N CB -0.373 38.086 38.487 -0.047 0.000 0.974 766 N HN 0.062 nan 8.380 nan 0.000 0.437 767 P HA -0.183 nan 4.420 nan 0.000 0.016 767 P C -0.393 176.894 177.300 -0.021 0.000 0.541 767 P CA 0.473 63.557 63.100 -0.026 0.000 1.033 767 P CB -0.526 31.162 31.700 -0.021 0.000 1.901 768 L N 0.245 121.454 121.223 -0.024 0.000 2.664 768 L HA 0.208 4.550 4.340 0.003 0.000 0.233 768 L C 1.599 178.464 176.870 -0.009 0.000 1.113 768 L CA 0.850 55.676 54.840 -0.022 0.000 0.896 768 L CB -0.175 41.862 42.059 -0.035 0.000 1.163 768 L HN -0.020 nan 8.230 nan 0.000 0.497 769 N N 0.288 118.984 118.700 -0.007 0.000 2.550 769 N HA -0.106 4.636 4.740 0.003 0.000 0.186 769 N C 1.931 177.453 175.510 0.020 0.000 1.110 769 N CA 0.861 53.921 53.050 0.017 0.000 0.912 769 N CB 0.012 38.498 38.487 -0.002 0.000 0.968 769 N HN 0.431 nan 8.380 nan 0.000 0.448 770 R N 0.711 121.214 120.500 0.005 0.000 2.092 770 R HA -0.058 4.284 4.340 0.003 0.000 0.231 770 R C 1.394 177.703 176.300 0.015 0.000 1.119 770 R CA 1.942 58.046 56.100 0.007 0.000 0.970 770 R CB -1.764 28.536 30.300 0.001 0.000 0.864 770 R HN 0.627 nan 8.270 nan 0.000 0.440 771 H N -0.618 118.460 119.070 0.014 0.000 2.771 771 H HA 0.716 5.274 4.556 0.003 0.000 0.367 771 H C -0.803 174.537 175.328 0.021 0.000 1.172 771 H CA -0.723 55.335 56.048 0.016 0.000 1.186 771 H CB 0.900 30.667 29.762 0.009 0.000 1.790 771 H HN 0.359 nan 8.280 nan 0.000 0.556 772 E N 0.682 120.895 120.200 0.021 0.000 2.383 772 E HA 0.198 4.550 4.350 0.003 0.000 0.264 772 E C -0.282 176.323 176.600 0.008 0.000 1.050 772 E CA -0.265 56.147 56.400 0.020 0.000 0.896 772 E CB 0.850 30.562 29.700 0.020 0.000 0.982 772 E HN 0.501 nan 8.360 nan 0.000 0.424 773 L N 4.856 126.083 121.223 0.006 0.000 2.326 773 L HA 0.265 4.606 4.340 0.003 0.000 0.278 773 L C -1.780 175.092 176.870 0.004 0.000 1.092 773 L CA -1.804 53.032 54.840 -0.006 0.000 0.810 773 L CB 0.595 42.652 42.059 -0.003 0.000 1.153 773 L HN 0.240 nan 8.230 nan 0.000 0.439 774 P HA 0.039 nan 4.420 nan 0.000 0.271 774 P C -1.172 176.147 177.300 0.032 0.000 1.218 774 P CA -0.449 62.634 63.100 -0.028 0.000 0.780 774 P CB 0.590 32.224 31.700 -0.110 0.000 0.901 775 D N 1.607 122.041 120.400 0.057 0.000 2.342 775 D HA 0.107 4.749 4.640 0.003 0.000 0.260 775 D C 0.409 176.681 176.300 -0.047 0.000 1.278 775 D CA 0.237 54.334 54.000 0.160 0.000 0.910 775 D CB 0.452 41.392 40.800 0.234 0.000 1.079 775 D HN 0.124 nan 8.370 nan 0.000 0.496 776 V N 1.199 121.043 119.914 -0.117 0.000 2.572 776 V HA 0.266 4.388 4.120 0.003 0.000 0.274 776 V C -0.364 175.331 176.094 -0.665 0.000 1.075 776 V CA -0.981 61.073 62.300 -0.410 0.000 1.237 776 V CB -1.320 30.307 31.823 -0.328 0.000 1.517 776 V HN 0.269 nan 8.190 nan 0.000 0.616 777 Y N -0.910 119.220 120.300 -0.283 0.000 2.480 777 Y HA 0.681 5.232 4.550 0.003 0.000 0.323 777 Y C 0.020 175.995 175.900 0.125 0.000 1.267 777 Y CA -2.403 55.625 58.100 -0.119 0.000 1.336 777 Y CB 0.829 39.407 38.460 0.196 0.000 1.361 777 Y HN 0.216 nan 8.280 nan 0.000 0.518 778 F N 3.459 123.580 119.950 0.284 0.000 2.487 778 F HA 0.311 4.840 4.527 0.003 0.000 0.364 778 F C 0.113 176.160 175.800 0.412 0.000 1.126 778 F CA -0.522 57.655 58.000 0.295 0.000 1.135 778 F CB 0.188 39.391 39.000 0.339 0.000 1.127 778 F HN 0.516 nan 8.300 nan 0.000 0.559 779 R N 3.919 124.654 120.500 0.391 0.000 2.357 779 R HA 0.176 4.518 4.340 0.003 0.000 0.296 779 R C 0.360 176.559 176.300 -0.168 0.000 1.052 779 R CA -0.431 55.722 56.100 0.088 0.000 0.988 779 R CB 1.568 31.854 30.300 -0.023 0.000 1.025 779 R HN 0.537 nan 8.270 nan 0.000 0.469 780 T N 0.061 114.347 114.554 -0.445 0.000 2.766 780 T HA -0.058 4.294 4.350 0.003 0.000 0.295 780 T C 1.671 176.178 174.700 -0.321 0.000 1.024 780 T CA 0.209 61.856 62.100 -0.755 0.000 1.018 780 T CB 1.142 69.492 68.868 -0.864 0.000 1.002 780 T HN 0.713 nan 8.240 nan 0.000 0.532 781 T N 1.224 115.614 114.554 -0.274 0.000 2.904 781 T HA -0.108 4.244 4.350 0.003 0.000 0.267 781 T C 1.722 176.346 174.700 -0.127 0.000 1.059 781 T CA 2.006 64.001 62.100 -0.174 0.000 1.137 781 T CB -0.518 68.231 68.868 -0.198 0.000 0.879 781 T HN 0.779 nan 8.240 nan 0.000 0.467 782 N N 1.572 120.183 118.700 -0.149 0.000 2.188 782 N HA -0.128 4.614 4.740 0.003 0.000 0.184 782 N C 1.861 177.331 175.510 -0.065 0.000 1.018 782 N CA 1.485 54.477 53.050 -0.096 0.000 0.858 782 N CB -0.495 37.935 38.487 -0.096 0.000 0.989 782 N HN 0.725 nan 8.380 nan 0.000 0.426 783 E N -0.426 119.722 120.200 -0.088 0.000 2.274 783 E HA -0.149 4.203 4.350 0.003 0.000 0.194 783 E C 1.759 178.369 176.600 0.016 0.000 0.996 783 E CA 0.685 57.068 56.400 -0.029 0.000 0.840 783 E CB -0.209 29.483 29.700 -0.012 0.000 0.772 783 E HN 0.307 nan 8.360 nan 0.000 0.491 784 M N 1.378 120.993 119.600 0.024 0.000 2.132 784 M HA 0.001 4.482 4.480 0.003 0.000 0.263 784 M C 2.025 178.452 176.300 0.212 0.000 1.065 784 M CA 1.328 56.706 55.300 0.129 0.000 1.122 784 M CB -0.154 32.509 32.600 0.106 0.000 1.365 784 M HN 0.125 nan 8.290 nan 0.000 0.411 785 L N -0.436 120.848 121.223 0.101 0.000 2.012 785 L HA -0.286 4.056 4.340 0.003 0.000 0.210 785 L C 2.038 178.965 176.870 0.094 0.000 1.073 785 L CA 1.403 56.296 54.840 0.089 0.000 0.748 785 L CB -1.159 40.911 42.059 0.018 0.000 0.891 785 L HN 0.258 nan 8.230 nan 0.000 0.431 786 D N -0.236 120.198 120.400 0.055 0.000 2.116 786 D HA -0.204 4.437 4.640 0.003 0.000 0.193 786 D C 2.237 178.567 176.300 0.049 0.000 0.998 786 D CA 1.627 55.653 54.000 0.044 0.000 0.836 786 D CB -0.542 40.273 40.800 0.025 0.000 0.951 786 D HN 0.394 nan 8.370 nan 0.000 0.449 787 C N -0.286 119.025 119.300 0.019 0.000 2.411 787 C HA -0.136 4.326 4.460 0.003 0.000 0.279 787 C C 2.062 176.933 174.990 -0.199 0.000 1.288 787 C CA 0.313 59.260 59.018 -0.119 0.000 1.764 787 C CB -1.293 26.296 27.740 -0.252 0.000 1.974 787 C HN 0.204 nan 8.230 nan 0.000 0.498 788 F N 1.192 121.186 119.950 0.073 0.000 2.654 788 F HA 0.091 4.620 4.527 0.003 0.000 0.303 788 F C 2.187 177.828 175.800 -0.266 0.000 1.099 788 F CA 0.432 58.356 58.000 -0.126 0.000 1.270 788 F CB -0.437 38.459 39.000 -0.175 0.000 1.024 788 F HN 0.155 nan 8.300 nan 0.000 0.548 789 S N 0.480 116.219 115.700 0.065 0.000 2.440 789 S HA -0.308 4.163 4.470 0.003 0.000 0.240 789 S C 1.889 176.507 174.600 0.031 0.000 1.014 789 S CA 1.434 59.657 58.200 0.039 0.000 0.980 789 S CB -1.411 61.830 63.200 0.068 0.000 0.775 789 S HN 0.572 nan 8.310 nan 0.000 0.499 790 F N 0.852 120.841 119.950 0.066 0.000 2.604 790 F HA 0.361 4.890 4.527 0.003 0.000 0.298 790 F C 1.436 177.275 175.800 0.066 0.000 1.131 790 F CA 0.114 58.145 58.000 0.052 0.000 1.457 790 F CB -0.481 38.541 39.000 0.035 0.000 1.095 790 F HN 0.118 nan 8.300 nan 0.000 0.574 791 L N 0.962 121.865 121.223 -0.534 0.000 2.592 791 L HA 0.420 4.762 4.340 0.003 0.000 0.227 791 L C 0.936 177.730 176.870 -0.126 0.000 1.127 791 L CA 0.310 54.952 54.840 -0.330 0.000 0.884 791 L CB -0.734 41.063 42.059 -0.435 0.000 1.065 791 L HN 0.474 nan 8.230 nan 0.000 0.457 792 G N 0.149 108.899 108.800 -0.082 0.000 2.692 792 G HA2 -0.144 3.817 3.960 0.003 0.000 0.686 792 G HA3 -0.144 3.817 3.960 0.003 0.000 0.686 792 G C -2.419 172.451 174.900 -0.050 0.000 1.243 792 G CA -0.689 44.387 45.100 -0.040 0.000 0.782 792 G HN -0.053 nan 8.290 nan 0.000 0.625 793 P HA 0.036 nan 4.420 nan 0.000 0.221 793 P C 1.432 178.708 177.300 -0.039 0.000 1.150 793 P CA 1.496 64.578 63.100 -0.030 0.000 0.800 793 P CB 0.225 31.914 31.700 -0.018 0.000 0.787 794 E N -0.284 119.892 120.200 -0.039 0.000 2.046 794 E HA -0.096 4.256 4.350 0.003 0.000 0.190 794 E C 2.025 178.590 176.600 -0.058 0.000 0.982 794 E CA 0.959 57.334 56.400 -0.042 0.000 0.800 794 E CB -0.511 29.169 29.700 -0.033 0.000 0.756 794 E HN 0.030 nan 8.360 nan 0.000 0.449 795 K N 0.414 120.772 120.400 -0.069 0.000 2.097 795 K HA 0.015 4.337 4.320 0.003 0.000 0.205 795 K C 1.973 178.499 176.600 -0.125 0.000 1.050 795 K CA 0.929 57.158 56.287 -0.096 0.000 0.938 795 K CB -0.303 32.135 32.500 -0.104 0.000 0.718 795 K HN 0.132 nan 8.250 nan 0.000 0.442 796 A N 1.837 124.592 122.820 -0.108 0.000 1.842 796 A HA -0.266 4.056 4.320 0.003 0.000 0.217 796 A C 2.204 179.730 177.584 -0.097 0.000 1.206 796 A CA 2.324 54.305 52.037 -0.094 0.000 0.630 796 A CB -0.673 18.300 19.000 -0.045 0.000 0.839 796 A HN 0.340 nan 8.150 nan 0.000 0.447 797 K N -0.341 120.015 120.400 -0.073 0.000 2.074 797 K HA -0.262 4.060 4.320 0.003 0.000 0.209 797 K C 2.119 178.667 176.600 -0.086 0.000 1.048 797 K CA 1.989 58.233 56.287 -0.071 0.000 0.926 797 K CB -0.222 32.245 32.500 -0.055 0.000 0.713 797 K HN 0.665 nan 8.250 nan 0.000 0.444 798 E N 0.662 120.808 120.200 -0.089 0.000 2.033 798 E HA -0.222 4.130 4.350 0.003 0.000 0.199 798 E C 2.024 178.556 176.600 -0.112 0.000 1.011 798 E CA 2.011 58.358 56.400 -0.089 0.000 0.815 798 E CB -0.243 29.410 29.700 -0.078 0.000 0.755 798 E HN 0.603 nan 8.360 nan 0.000 0.451 799 I N -2.034 118.443 120.570 -0.155 0.000 3.251 799 I HA -0.013 4.159 4.170 0.003 0.000 0.277 799 I C 1.668 177.656 176.117 -0.215 0.000 1.268 799 I CA 0.238 61.422 61.300 -0.193 0.000 1.449 799 I CB 0.413 38.255 38.000 -0.264 0.000 1.083 799 I HN -0.056 nan 8.210 nan 0.000 0.464 800 V N 0.536 120.333 119.914 -0.194 0.000 2.492 800 V HA -0.042 4.080 4.120 0.003 0.000 0.241 800 V C 2.221 178.243 176.094 -0.121 0.000 1.041 800 V CA 1.386 63.592 62.300 -0.157 0.000 1.057 800 V CB 0.670 32.426 31.823 -0.110 0.000 0.711 800 V HN 0.518 nan 8.190 nan 0.000 0.468 801 V N -1.178 118.669 119.914 -0.112 0.000 2.854 801 V HA 0.052 4.174 4.120 0.003 0.000 0.236 801 V C 1.918 177.956 176.094 -0.092 0.000 1.157 801 V CA 1.160 63.397 62.300 -0.104 0.000 1.187 801 V CB 0.071 31.835 31.823 -0.098 0.000 0.949 801 V HN 0.407 nan 8.190 nan 0.000 0.488 802 D N 1.237 121.588 120.400 -0.082 0.000 2.104 802 D HA -0.187 4.455 4.640 0.003 0.000 0.194 802 D C 1.979 178.235 176.300 -0.074 0.000 0.994 802 D CA 2.359 56.317 54.000 -0.070 0.000 0.830 802 D CB -0.493 40.271 40.800 -0.060 0.000 0.959 802 D HN 0.699 nan 8.370 nan 0.000 0.452 803 N N -0.482 118.167 118.700 -0.085 0.000 2.250 803 N HA -0.073 4.669 4.740 0.003 0.000 0.181 803 N C 1.780 177.220 175.510 -0.116 0.000 1.017 803 N CA 0.797 53.795 53.050 -0.088 0.000 0.866 803 N CB 0.071 38.510 38.487 -0.081 0.000 0.985 803 N HN 0.004 nan 8.380 nan 0.000 0.429 804 T N 1.180 115.661 114.554 -0.123 0.000 2.652 804 T HA -0.176 4.176 4.350 0.003 0.000 0.267 804 T C 1.862 176.488 174.700 -0.123 0.000 1.039 804 T CA 1.380 63.398 62.100 -0.137 0.000 1.153 804 T CB -0.117 68.681 68.868 -0.116 0.000 0.863 804 T HN 0.226 nan 8.240 nan 0.000 0.428 805 Q N 0.006 119.747 119.800 -0.099 0.000 2.096 805 Q HA -0.166 4.175 4.340 0.003 0.000 0.204 805 Q C 2.332 178.287 176.000 -0.075 0.000 0.982 805 Q CA 1.674 57.430 55.803 -0.079 0.000 0.850 805 Q CB -0.124 28.574 28.738 -0.066 0.000 0.901 805 Q HN 0.297 nan 8.270 nan 0.000 0.422 806 K N 0.825 121.178 120.400 -0.078 0.000 2.057 806 K HA -0.146 4.176 4.320 0.003 0.000 0.207 806 K C 1.774 178.325 176.600 -0.082 0.000 1.049 806 K CA 1.236 57.483 56.287 -0.068 0.000 0.931 806 K CB -0.214 32.251 32.500 -0.059 0.000 0.714 806 K HN 0.077 nan 8.250 nan 0.000 0.440 807 I N 1.310 121.804 120.570 -0.127 0.000 2.226 807 I HA -0.195 3.976 4.170 0.003 0.000 0.245 807 I C 2.367 178.405 176.117 -0.131 0.000 1.100 807 I CA 1.607 62.805 61.300 -0.169 0.000 1.374 807 I CB -1.604 36.187 38.000 -0.348 0.000 1.057 807 I HN 0.317 nan 8.210 nan 0.000 0.413 808 A N 0.055 122.804 122.820 -0.119 0.000 1.978 808 A HA -0.193 4.129 4.320 0.003 0.000 0.220 808 A C 2.564 180.114 177.584 -0.057 0.000 1.170 808 A CA 2.053 54.039 52.037 -0.084 0.000 0.636 808 A CB -0.735 18.224 19.000 -0.068 0.000 0.810 808 A HN 0.404 nan 8.150 nan 0.000 0.448 809 S N -0.659 115.010 115.700 -0.052 0.000 2.447 809 S HA 0.037 4.508 4.470 0.003 0.000 0.233 809 S C 1.537 176.119 174.600 -0.030 0.000 1.006 809 S CA 0.821 59.000 58.200 -0.035 0.000 0.957 809 S CB -0.315 62.865 63.200 -0.033 0.000 0.773 809 S HN 0.541 nan 8.310 nan 0.000 0.507 810 L N 0.982 122.183 121.223 -0.036 0.000 2.554 810 L HA 0.134 4.476 4.340 0.003 0.000 0.226 810 L C -0.174 176.685 176.870 -0.019 0.000 1.137 810 L CA 0.220 55.046 54.840 -0.024 0.000 0.863 810 L CB -0.050 41.996 42.059 -0.022 0.000 0.985 810 L HN 0.218 nan 8.230 nan 0.000 0.451 811 I N 0.289 120.843 120.570 -0.026 0.000 2.331 811 I HA 0.256 4.428 4.170 0.003 0.000 0.292 811 I C 0.983 177.092 176.117 -0.012 0.000 0.998 811 I CA -0.014 61.275 61.300 -0.020 0.000 1.267 811 I CB 0.819 38.799 38.000 -0.034 0.000 1.386 811 I HN -0.111 nan 8.210 nan 0.000 0.476 812 G N 4.260 113.058 108.800 -0.005 0.000 2.510 812 G HA2 0.166 4.128 3.960 0.003 0.000 0.280 812 G HA3 0.166 4.128 3.960 0.003 0.000 0.280 812 G C -0.619 174.289 174.900 0.012 0.000 1.386 812 G CA -0.243 44.858 45.100 0.001 0.000 1.047 812 G HN 0.630 nan 8.290 nan 0.000 0.527 813 D N -0.709 119.702 120.400 0.019 0.000 2.479 813 D HA 0.285 4.927 4.640 0.003 0.000 0.218 813 D C 0.145 176.466 176.300 0.035 0.000 1.131 813 D CA -0.546 53.478 54.000 0.040 0.000 0.916 813 D CB 0.786 41.613 40.800 0.046 0.000 1.022 813 D HN 0.275 nan 8.370 nan 0.000 0.515 814 V N 2.658 122.601 119.914 0.049 0.000 2.509 814 V HA 0.452 4.573 4.120 0.003 0.000 0.284 814 V C -0.420 175.580 176.094 -0.158 0.000 1.047 814 V CA -0.552 61.725 62.300 -0.038 0.000 0.952 814 V CB 1.096 32.884 31.823 -0.059 0.000 0.988 814 V HN 0.367 nan 8.190 nan 0.000 0.469 815 K N 7.820 128.061 120.400 -0.265 0.000 2.300 815 K HA 0.414 4.736 4.320 0.003 0.000 0.264 815 K C -1.816 174.419 176.600 -0.609 0.000 1.083 815 K CA -1.577 54.403 56.287 -0.511 0.000 0.958 815 K CB 1.442 33.805 32.500 -0.229 0.000 1.318 815 K HN 0.647 nan 8.250 nan 0.000 0.448 816 P HA -0.063 nan 4.420 nan 0.000 0.225 816 P C 0.101 177.313 177.300 -0.148 0.000 1.156 816 P CA 0.813 63.601 63.100 -0.519 0.000 0.787 816 P CB 0.484 31.732 31.700 -0.754 0.000 0.802 817 I N 0.571 120.988 120.570 -0.255 0.000 2.433 817 I HA 0.251 4.423 4.170 0.003 0.000 0.292 817 I C 0.761 176.946 176.117 0.113 0.000 1.001 817 I CA -1.179 60.153 61.300 0.053 0.000 1.119 817 I CB 2.132 40.220 38.000 0.146 0.000 1.289 817 I HN -0.158 nan 8.210 nan 0.000 0.438 818 K N 4.356 124.867 120.400 0.185 0.000 2.138 818 K HA 0.160 4.482 4.320 0.003 0.000 0.251 818 K C 0.309 177.063 176.600 0.256 0.000 1.015 818 K CA -0.567 55.854 56.287 0.224 0.000 0.917 818 K CB 1.391 34.075 32.500 0.307 0.000 1.021 818 K HN 0.460 nan 8.250 nan 0.000 0.485 819 D N 0.871 121.411 120.400 0.234 0.000 2.262 819 D HA -0.072 4.570 4.640 0.003 0.000 0.212 819 D C 0.560 176.952 176.300 0.154 0.000 0.964 819 D CA 1.026 55.132 54.000 0.176 0.000 0.875 819 D CB 0.493 41.375 40.800 0.136 0.000 0.996 819 D HN 0.574 nan 8.370 nan 0.000 0.497 820 E N 0.694 120.995 120.200 0.169 0.000 2.284 820 E HA 0.407 4.759 4.350 0.003 0.000 0.255 820 E C -0.627 176.004 176.600 0.052 0.000 1.052 820 E CA -0.923 55.498 56.400 0.036 0.000 0.904 820 E CB 1.743 31.371 29.700 -0.119 0.000 1.217 820 E HN -0.121 nan 8.360 nan 0.000 0.438 821 L N 1.306 122.485 121.223 -0.074 0.000 2.275 821 L HA 0.321 4.663 4.340 0.003 0.000 0.288 821 L C -1.643 175.143 176.870 -0.139 0.000 1.046 821 L CA -0.486 54.350 54.840 -0.007 0.000 0.805 821 L CB 0.265 42.332 42.059 0.013 0.000 1.193 821 L HN 0.451 nan 8.230 nan 0.000 0.426 822 Y N 3.231 123.563 120.300 0.053 0.000 2.331 822 Y HA 0.524 5.076 4.550 0.003 0.000 0.338 822 Y C 0.544 176.447 175.900 0.005 0.000 0.992 822 Y CA -0.574 57.589 58.100 0.105 0.000 1.121 822 Y CB 1.843 40.400 38.460 0.162 0.000 1.184 822 Y HN 0.517 nan 8.280 nan 0.000 0.469 823 T N 6.163 120.846 114.554 0.215 0.000 2.797 823 T HA 0.385 4.737 4.350 0.003 0.000 0.279 823 T C -2.524 172.298 174.700 0.203 0.000 0.991 823 T CA -1.845 60.315 62.100 0.101 0.000 0.979 823 T CB 1.080 69.985 68.868 0.061 0.000 0.943 823 T HN 0.351 nan 8.240 nan 0.000 0.444 824 P HA 0.375 nan 4.420 nan 0.000 0.274 824 P C -0.885 176.554 177.300 0.232 0.000 1.237 824 P CA -0.676 62.540 63.100 0.193 0.000 0.793 824 P CB 0.788 32.590 31.700 0.169 0.000 0.977 825 R N 1.773 122.426 120.500 0.256 0.000 2.561 825 R HA 0.648 4.990 4.340 0.003 0.000 0.297 825 R C -0.530 175.864 176.300 0.157 0.000 0.969 825 R CA -0.708 55.504 56.100 0.186 0.000 0.879 825 R CB 1.667 32.065 30.300 0.164 0.000 1.178 825 R HN 0.551 nan 8.270 nan 0.000 0.445 826 I N 2.398 123.037 120.570 0.114 0.000 2.529 826 I HA 0.095 4.267 4.170 0.003 0.000 0.284 826 I C 0.267 176.417 176.117 0.055 0.000 1.088 826 I CA -0.885 60.461 61.300 0.076 0.000 1.062 826 I CB 2.376 40.403 38.000 0.044 0.000 1.218 826 I HN 0.585 nan 8.210 nan 0.000 0.442 827 E N 5.706 125.935 120.200 0.047 0.000 2.529 827 E HA 0.256 4.608 4.350 0.003 0.000 0.259 827 E C 1.015 177.634 176.600 0.031 0.000 0.966 827 E CA 0.791 57.214 56.400 0.038 0.000 0.937 827 E CB 0.501 30.220 29.700 0.033 0.000 0.923 827 E HN 0.884 nan 8.360 nan 0.000 0.468 828 G N 2.395 111.213 108.800 0.030 0.000 2.238 828 G HA2 -0.337 3.625 3.960 0.003 0.000 0.217 828 G HA3 -0.337 3.625 3.960 0.003 0.000 0.217 828 G C 0.988 175.906 174.900 0.030 0.000 0.996 828 G CA 0.190 45.306 45.100 0.026 0.000 0.632 828 G HN 0.978 nan 8.290 nan 0.000 0.503 829 A N 0.794 123.637 122.820 0.039 0.000 1.877 829 A HA 0.096 4.418 4.320 0.003 0.000 0.216 829 A C 1.977 179.587 177.584 0.042 0.000 1.186 829 A CA 2.434 54.499 52.037 0.047 0.000 0.620 829 A CB -0.485 18.555 19.000 0.067 0.000 0.822 829 A HN 0.378 nan 8.150 nan 0.000 0.443 830 D N -0.429 119.995 120.400 0.040 0.000 2.104 830 D HA -0.178 4.464 4.640 0.003 0.000 0.194 830 D C 1.903 178.215 176.300 0.020 0.000 0.994 830 D CA 1.799 55.816 54.000 0.029 0.000 0.830 830 D CB -0.512 40.304 40.800 0.026 0.000 0.959 830 D HN 0.720 nan 8.370 nan 0.000 0.452 831 E N 1.248 121.460 120.200 0.020 0.000 2.118 831 E HA -0.218 4.134 4.350 0.003 0.000 0.195 831 E C 1.896 178.507 176.600 0.019 0.000 0.992 831 E CA 1.544 57.954 56.400 0.016 0.000 0.804 831 E CB -0.191 29.516 29.700 0.013 0.000 0.741 831 E HN 0.354 nan 8.360 nan 0.000 0.458 832 E N -0.412 119.800 120.200 0.020 0.000 2.112 832 E HA -0.102 4.250 4.350 0.003 0.000 0.190 832 E C 1.882 178.484 176.600 0.004 0.000 0.979 832 E CA 0.976 57.385 56.400 0.015 0.000 0.814 832 E CB 0.014 29.726 29.700 0.020 0.000 0.762 832 E HN 0.342 nan 8.360 nan 0.000 0.460 833 I N 1.230 121.802 120.570 0.002 0.000 2.361 833 I HA -0.232 3.940 4.170 0.003 0.000 0.251 833 I C 2.560 178.669 176.117 -0.013 0.000 1.133 833 I CA 1.133 62.420 61.300 -0.021 0.000 1.413 833 I CB -1.087 36.892 38.000 -0.035 0.000 1.073 833 I HN 0.200 nan 8.210 nan 0.000 0.424 834 R N 1.452 121.969 120.500 0.029 0.000 2.070 834 R HA -0.230 4.112 4.340 0.003 0.000 0.232 834 R C 2.292 178.697 176.300 0.176 0.000 1.138 834 R CA 2.253 58.422 56.100 0.114 0.000 0.936 834 R CB -0.058 30.307 30.300 0.108 0.000 0.839 834 R HN 0.470 nan 8.270 nan 0.000 0.429 835 E N 0.277 120.535 120.200 0.097 0.000 2.106 835 E HA -0.175 4.177 4.350 0.003 0.000 0.192 835 E C 2.057 178.699 176.600 0.070 0.000 0.984 835 E CA 1.359 57.814 56.400 0.091 0.000 0.806 835 E CB -0.482 29.242 29.700 0.040 0.000 0.750 835 E HN 0.299 nan 8.360 nan 0.000 0.458 836 M N 1.134 120.743 119.600 0.016 0.000 2.082 836 M HA -0.198 4.283 4.480 0.003 0.000 0.258 836 M C 2.398 178.678 176.300 -0.034 0.000 1.069 836 M CA 2.483 57.762 55.300 -0.035 0.000 1.102 836 M CB -0.436 32.095 32.600 -0.116 0.000 1.336 836 M HN 0.439 nan 8.290 nan 0.000 0.404 837 S N -0.988 114.686 115.700 -0.043 0.000 2.377 837 S HA -0.110 4.362 4.470 0.003 0.000 0.223 837 S C 1.731 176.283 174.600 -0.079 0.000 1.030 837 S CA 0.658 58.793 58.200 -0.108 0.000 0.970 837 S CB -0.943 62.145 63.200 -0.187 0.000 0.830 837 S HN 0.436 nan 8.310 nan 0.000 0.473 838 Y N 2.447 122.741 120.300 -0.009 0.000 2.165 838 Y HA -0.045 4.506 4.550 0.003 0.000 0.286 838 Y C 2.918 178.835 175.900 0.029 0.000 1.155 838 Y CA 1.654 59.766 58.100 0.020 0.000 1.164 838 Y CB -0.366 38.098 38.460 0.007 0.000 0.978 838 Y HN 0.268 nan 8.280 nan 0.000 0.513 839 R N 0.521 121.117 120.500 0.160 0.000 2.073 839 R HA -0.217 4.125 4.340 0.003 0.000 0.234 839 R C 2.347 178.692 176.300 0.075 0.000 1.134 839 R CA 1.864 58.023 56.100 0.099 0.000 0.952 839 R CB -0.247 30.092 30.300 0.064 0.000 0.850 839 R HN 0.135 nan 8.270 nan 0.000 0.433 840 R N 0.310 120.836 120.500 0.043 0.000 2.092 840 R HA 0.004 4.346 4.340 0.003 0.000 0.231 840 R C 2.056 178.395 176.300 0.064 0.000 1.119 840 R CA 1.654 57.769 56.100 0.026 0.000 0.970 840 R CB -0.452 29.835 30.300 -0.021 0.000 0.864 840 R HN 0.390 nan 8.270 nan 0.000 0.440 841 A N 0.537 123.414 122.820 0.096 0.000 1.898 841 A HA -0.128 4.194 4.320 0.003 0.000 0.216 841 A C 1.953 179.699 177.584 0.270 0.000 1.181 841 A CA 1.549 53.734 52.037 0.246 0.000 0.620 841 A CB -0.350 18.786 19.000 0.227 0.000 0.819 841 A HN 0.345 nan 8.150 nan 0.000 0.442 842 K N 0.070 120.582 120.400 0.186 0.000 2.057 842 K HA -0.179 4.143 4.320 0.003 0.000 0.207 842 K C 1.960 178.630 176.600 0.118 0.000 1.049 842 K CA 1.608 57.992 56.287 0.162 0.000 0.931 842 K CB -0.188 32.393 32.500 0.135 0.000 0.714 842 K HN 0.830 nan 8.250 nan 0.000 0.440 843 E N 0.524 120.773 120.200 0.082 0.000 2.268 843 E HA -0.153 4.199 4.350 0.003 0.000 0.195 843 E C 1.766 178.371 176.600 0.008 0.000 0.995 843 E CA 0.938 57.364 56.400 0.044 0.000 0.836 843 E CB -0.148 29.571 29.700 0.031 0.000 0.763 843 E HN 0.343 nan 8.360 nan 0.000 0.491 844 I N -0.606 119.955 120.570 -0.015 0.000 2.628 844 I HA -0.112 4.060 4.170 0.003 0.000 0.255 844 I C 1.300 177.253 176.117 -0.272 0.000 1.119 844 I CA 0.687 61.873 61.300 -0.189 0.000 1.448 844 I CB 0.116 37.909 38.000 -0.345 0.000 1.133 844 I HN 0.000 nan 8.210 nan 0.000 0.438 845 Y N 0.873 121.240 120.300 0.113 0.000 2.444 845 Y HA 0.448 5.000 4.550 0.003 0.000 0.249 845 Y C 1.111 177.059 175.900 0.080 0.000 1.134 845 Y CA 0.160 58.325 58.100 0.108 0.000 1.261 845 Y CB 0.351 38.883 38.460 0.119 0.000 1.143 845 Y HN 0.162 nan 8.280 nan 0.000 0.523 846 G N 0.608 109.517 108.800 0.183 0.000 2.663 846 G HA2 -0.136 3.826 3.960 0.003 0.000 0.686 846 G HA3 -0.136 3.826 3.960 0.003 0.000 0.686 846 G C -1.675 173.294 174.900 0.114 0.000 1.288 846 G CA -0.702 44.474 45.100 0.127 0.000 0.836 846 G HN 0.054 nan 8.290 nan 0.000 0.584 847 D N 1.014 121.464 120.400 0.084 0.000 2.492 847 D HA 0.645 5.286 4.640 0.003 0.000 0.248 847 D C -0.974 175.357 176.300 0.051 0.000 1.101 847 D CA -0.741 53.301 54.000 0.069 0.000 0.840 847 D CB 1.503 42.338 40.800 0.059 0.000 1.209 847 D HN 0.482 nan 8.370 nan 0.000 0.524 848 P HA 0.316 nan 4.420 nan 0.000 0.275 848 P C -0.059 177.273 177.300 0.054 0.000 1.266 848 P CA -0.537 62.590 63.100 0.045 0.000 0.793 848 P CB 0.981 32.696 31.700 0.024 0.000 1.074 849 L N 0.611 121.870 121.223 0.059 0.000 2.464 849 L HA 0.267 4.609 4.340 0.003 0.000 0.264 849 L C -1.855 175.000 176.870 -0.025 0.000 1.199 849 L CA -1.910 52.957 54.840 0.044 0.000 0.818 849 L CB -0.498 41.586 42.059 0.042 0.000 1.102 849 L HN 0.291 nan 8.230 nan 0.000 0.473 850 P HA 0.023 nan 4.420 nan 0.000 0.269 850 P C 0.195 177.360 177.300 -0.226 0.000 1.215 850 P CA -0.279 62.728 63.100 -0.155 0.000 0.780 850 P CB 0.602 32.169 31.700 -0.222 0.000 0.898 851 K N 1.671 121.944 120.400 -0.212 0.000 2.044 851 K HA -0.174 4.147 4.320 0.003 0.000 0.210 851 K C 1.737 178.160 176.600 -0.294 0.000 1.049 851 K CA 1.278 57.443 56.287 -0.204 0.000 0.927 851 K CB -0.434 31.965 32.500 -0.169 0.000 0.713 851 K HN 0.309 nan 8.250 nan 0.000 0.443 852 L N 0.950 121.910 121.223 -0.439 0.000 1.997 852 L HA -0.232 4.109 4.340 0.003 0.000 0.216 852 L C 2.316 178.843 176.870 -0.572 0.000 1.074 852 L CA 1.707 56.202 54.840 -0.575 0.000 0.763 852 L CB -0.956 40.506 42.059 -0.995 0.000 0.890 852 L HN 0.116 nan 8.230 nan 0.000 0.434 853 V N -0.737 118.806 119.914 -0.618 0.000 2.323 853 V HA -0.219 3.903 4.120 0.003 0.000 0.244 853 V C 2.490 178.350 176.094 -0.389 0.000 1.041 853 V CA 1.510 63.426 62.300 -0.640 0.000 1.025 853 V CB -0.505 30.956 31.823 -0.603 0.000 0.656 853 V HN 0.398 nan 8.190 nan 0.000 0.451 854 E N 0.752 120.805 120.200 -0.245 0.000 2.086 854 E HA -0.284 4.068 4.350 0.003 0.000 0.200 854 E C 2.132 178.653 176.600 -0.132 0.000 1.012 854 E CA 2.121 58.456 56.400 -0.109 0.000 0.812 854 E CB -0.185 29.485 29.700 -0.050 0.000 0.743 854 E HN 0.677 nan 8.360 nan 0.000 0.453 855 E N -0.771 119.318 120.200 -0.185 0.000 2.152 855 E HA -0.162 4.190 4.350 0.003 0.000 0.192 855 E C 2.127 178.606 176.600 -0.200 0.000 0.983 855 E CA 0.661 56.964 56.400 -0.163 0.000 0.818 855 E CB -0.002 29.600 29.700 -0.164 0.000 0.758 855 E HN 0.011 nan 8.360 nan 0.000 0.467 856 R N 0.963 121.295 120.500 -0.280 0.000 2.092 856 R HA -0.065 4.277 4.340 0.003 0.000 0.231 856 R C 1.956 178.098 176.300 -0.264 0.000 1.119 856 R CA 1.089 57.005 56.100 -0.306 0.000 0.970 856 R CB -0.332 29.696 30.300 -0.453 0.000 0.864 856 R HN 0.143 nan 8.270 nan 0.000 0.440 857 L N -0.242 120.840 121.223 -0.235 0.000 2.044 857 L HA -0.051 4.290 4.340 0.003 0.000 0.205 857 L C 2.248 179.000 176.870 -0.197 0.000 1.075 857 L CA 1.508 56.199 54.840 -0.249 0.000 0.747 857 L CB -0.406 41.370 42.059 -0.472 0.000 0.903 857 L HN 0.255 nan 8.230 nan 0.000 0.435 858 E N 0.258 120.396 120.200 -0.103 0.000 2.058 858 E HA -0.300 4.052 4.350 0.003 0.000 0.194 858 E C 2.138 178.675 176.600 -0.104 0.000 0.997 858 E CA 1.585 57.964 56.400 -0.035 0.000 0.801 858 E CB -0.046 29.653 29.700 -0.002 0.000 0.746 858 E HN 0.320 nan 8.360 nan 0.000 0.450 859 K N 1.043 121.349 120.400 -0.157 0.000 2.155 859 K HA -0.184 4.138 4.320 0.003 0.000 0.203 859 K C 1.962 178.378 176.600 -0.306 0.000 1.052 859 K CA 1.358 57.539 56.287 -0.178 0.000 0.948 859 K CB 0.102 32.503 32.500 -0.165 0.000 0.728 859 K HN 0.012 nan 8.250 nan 0.000 0.448 860 E N 0.591 120.512 120.200 -0.464 0.000 2.046 860 E HA -0.098 4.254 4.350 0.003 0.000 0.190 860 E C 2.056 178.413 176.600 -0.405 0.000 0.982 860 E CA 0.829 56.746 56.400 -0.805 0.000 0.800 860 E CB 0.045 29.263 29.700 -0.804 0.000 0.756 860 E HN 0.297 nan 8.360 nan 0.000 0.449 861 L N 1.063 122.135 121.223 -0.251 0.000 2.056 861 L HA -0.188 4.154 4.340 0.003 0.000 0.207 861 L C 2.569 179.384 176.870 -0.093 0.000 1.078 861 L CA 1.604 56.354 54.840 -0.151 0.000 0.749 861 L CB -0.548 41.461 42.059 -0.083 0.000 0.901 861 L HN 0.137 nan 8.230 nan 0.000 0.433 862 K N -0.781 119.568 120.400 -0.086 0.000 2.147 862 K HA -0.154 4.168 4.320 0.003 0.000 0.205 862 K C 2.194 178.746 176.600 -0.079 0.000 1.049 862 K CA 1.685 57.932 56.287 -0.067 0.000 0.936 862 K CB -0.337 32.129 32.500 -0.057 0.000 0.722 862 K HN 0.045 nan 8.250 nan 0.000 0.446 863 S N 0.815 116.493 115.700 -0.037 0.000 2.345 863 S HA 0.013 4.484 4.470 0.003 0.000 0.219 863 S C 1.932 176.600 174.600 0.113 0.000 1.031 863 S CA 0.709 58.941 58.200 0.055 0.000 0.984 863 S CB -0.268 63.100 63.200 0.279 0.000 0.874 863 S HN 0.372 nan 8.310 nan 0.000 0.451 864 I N 1.251 121.895 120.570 0.122 0.000 2.179 864 I HA -0.187 3.985 4.170 0.003 0.000 0.242 864 I C 2.176 178.371 176.117 0.130 0.000 1.088 864 I CA 1.288 62.665 61.300 0.128 0.000 1.357 864 I CB -0.408 37.534 38.000 -0.097 0.000 1.051 864 I HN 0.320 nan 8.210 nan 0.000 0.409 865 I N 0.706 121.293 120.570 0.029 0.000 2.142 865 I HA -0.220 3.952 4.170 0.003 0.000 0.240 865 I C 2.713 178.851 176.117 0.036 0.000 1.078 865 I CA 1.824 63.145 61.300 0.035 0.000 1.343 865 I CB -0.926 37.072 38.000 -0.004 0.000 1.046 865 I HN 0.259 nan 8.210 nan 0.000 0.405 866 G N -0.135 108.628 108.800 -0.060 0.000 2.442 866 G HA2 -0.223 3.739 3.960 0.003 0.000 0.219 866 G HA3 -0.223 3.739 3.960 0.003 0.000 0.219 866 G C 1.345 176.175 174.900 -0.118 0.000 1.141 866 G CA 0.699 45.708 45.100 -0.151 0.000 0.763 866 G HN 0.429 nan 8.290 nan 0.000 0.554 867 H N 0.258 119.431 119.070 0.172 0.000 2.533 867 H HA 0.232 4.790 4.556 0.003 0.000 0.271 867 H C 1.999 177.562 175.328 0.391 0.000 1.000 867 H CA 0.249 56.449 56.048 0.253 0.000 1.149 867 H CB -0.021 29.875 29.762 0.224 0.000 1.375 867 H HN 0.424 nan 8.280 nan 0.000 0.582 868 G N 0.724 109.742 108.800 0.363 0.000 2.182 868 G HA2 -0.283 3.679 3.960 0.003 0.000 0.248 868 G HA3 -0.283 3.679 3.960 0.003 0.000 0.248 868 G C 0.425 175.452 174.900 0.211 0.000 1.042 868 G CA 0.056 45.299 45.100 0.238 0.000 0.775 868 G HN 0.448 nan 8.290 nan 0.000 0.501 869 F N 0.030 120.093 119.950 0.187 0.000 2.695 869 F HA 0.427 4.956 4.527 0.003 0.000 0.303 869 F C 2.517 178.474 175.800 0.262 0.000 1.091 869 F CA 0.681 58.841 58.000 0.267 0.000 1.300 869 F CB 0.293 39.523 39.000 0.383 0.000 1.071 869 F HN 0.302 nan 8.300 nan 0.000 0.578 870 A N 0.106 123.090 122.820 0.273 0.000 1.940 870 A HA -0.159 4.163 4.320 0.003 0.000 0.219 870 A C 2.269 179.988 177.584 0.225 0.000 1.176 870 A CA 1.961 54.096 52.037 0.164 0.000 0.631 870 A CB -1.045 18.002 19.000 0.079 0.000 0.814 870 A HN 0.169 nan 8.150 nan 0.000 0.446 871 V N 0.911 120.951 119.914 0.210 0.000 2.287 871 V HA -0.295 3.827 4.120 0.003 0.000 0.248 871 V C 2.494 178.743 176.094 0.258 0.000 1.053 871 V CA 2.132 64.553 62.300 0.202 0.000 1.027 871 V CB -0.845 31.102 31.823 0.208 0.000 0.646 871 V HN 0.790 nan 8.190 nan 0.000 0.447 872 I N -3.506 117.249 120.570 0.307 0.000 2.617 872 I HA -0.135 4.037 4.170 0.003 0.000 0.256 872 I C 2.449 178.758 176.117 0.321 0.000 1.167 872 I CA 1.414 62.900 61.300 0.309 0.000 1.469 872 I CB -0.676 37.469 38.000 0.242 0.000 1.098 872 I HN 0.159 nan 8.210 nan 0.000 0.436 873 Y N 1.281 121.712 120.300 0.217 0.000 2.097 873 Y HA -0.221 4.331 4.550 0.003 0.000 0.282 873 Y C 2.504 178.499 175.900 0.158 0.000 1.152 873 Y CA 2.107 60.313 58.100 0.178 0.000 1.136 873 Y CB -0.617 37.932 38.460 0.149 0.000 0.975 873 Y HN 0.158 nan 8.280 nan 0.000 0.498 874 L N -0.624 120.782 121.223 0.305 0.000 1.970 874 L HA -0.233 4.109 4.340 0.003 0.000 0.212 874 L C 2.121 179.110 176.870 0.198 0.000 1.071 874 L CA 1.543 56.514 54.840 0.219 0.000 0.751 874 L CB -0.874 41.270 42.059 0.141 0.000 0.889 874 L HN 0.119 nan 8.230 nan 0.000 0.432 875 I N -0.813 119.832 120.570 0.126 0.000 2.248 875 I HA -0.319 3.853 4.170 0.003 0.000 0.248 875 I C 2.596 178.797 176.117 0.140 0.000 1.107 875 I CA 1.393 62.721 61.300 0.047 0.000 1.373 875 I CB -0.918 37.079 38.000 -0.006 0.000 1.055 875 I HN 0.192 nan 8.210 nan 0.000 0.418 876 S N -1.005 114.807 115.700 0.187 0.000 2.382 876 S HA -0.280 4.192 4.470 0.003 0.000 0.228 876 S C 2.055 176.777 174.600 0.203 0.000 1.027 876 S CA 1.610 59.922 58.200 0.186 0.000 0.991 876 S CB -0.545 62.725 63.200 0.117 0.000 0.823 876 S HN 0.671 nan 8.310 nan 0.000 0.469 877 H N 1.471 120.610 119.070 0.114 0.000 2.357 877 H HA 0.059 4.617 4.556 0.003 0.000 0.301 877 H C 1.881 177.289 175.328 0.135 0.000 1.082 877 H CA 1.708 57.819 56.048 0.105 0.000 1.342 877 H CB -0.035 29.785 29.762 0.097 0.000 1.389 877 H HN 0.237 nan 8.280 nan 0.000 0.511 878 K N 0.043 120.480 120.400 0.061 0.000 2.097 878 K HA -0.064 4.258 4.320 0.003 0.000 0.205 878 K C 2.301 179.045 176.600 0.241 0.000 1.050 878 K CA 1.312 57.648 56.287 0.080 0.000 0.938 878 K CB -0.020 32.590 32.500 0.183 0.000 0.718 878 K HN 0.270 nan 8.250 nan 0.000 0.442 879 L N 0.558 121.957 121.223 0.293 0.000 2.017 879 L HA -0.204 4.138 4.340 0.003 0.000 0.208 879 L C 2.335 179.413 176.870 0.347 0.000 1.073 879 L CA 1.003 56.085 54.840 0.404 0.000 0.745 879 L CB -0.466 41.844 42.059 0.418 0.000 0.894 879 L HN -0.012 nan 8.230 nan 0.000 0.432 880 V N -0.174 119.869 119.914 0.214 0.000 2.358 880 V HA -0.294 3.828 4.120 0.003 0.000 0.246 880 V C 2.546 178.649 176.094 0.016 0.000 1.047 880 V CA 1.793 64.153 62.300 0.100 0.000 1.035 880 V CB -0.484 31.343 31.823 0.006 0.000 0.658 880 V HN 0.420 nan 8.190 nan 0.000 0.452 881 K N 0.373 120.728 120.400 -0.074 0.000 2.026 881 K HA -0.248 4.074 4.320 0.003 0.000 0.208 881 K C 2.349 178.919 176.600 -0.051 0.000 1.048 881 K CA 1.861 58.080 56.287 -0.113 0.000 0.929 881 K CB -0.197 32.156 32.500 -0.244 0.000 0.713 881 K HN 0.335 nan 8.250 nan 0.000 0.439 882 K N 0.250 120.635 120.400 -0.026 0.000 2.097 882 K HA -0.134 4.188 4.320 0.003 0.000 0.206 882 K C 2.203 178.789 176.600 -0.022 0.000 1.049 882 K CA 1.580 57.821 56.287 -0.077 0.000 0.933 882 K CB -0.194 32.132 32.500 -0.290 0.000 0.717 882 K HN 0.106 nan 8.250 nan 0.000 0.442 883 S N 0.957 116.660 115.700 0.006 0.000 2.359 883 S HA -0.133 4.339 4.470 0.003 0.000 0.224 883 S C 2.044 176.542 174.600 -0.170 0.000 1.035 883 S CA 1.162 59.216 58.200 -0.244 0.000 1.018 883 S CB -0.275 62.827 63.200 -0.163 0.000 0.876 883 S HN 0.361 nan 8.310 nan 0.000 0.448 884 L N 1.213 122.388 121.223 -0.081 0.000 2.013 884 L HA -0.159 4.183 4.340 0.003 0.000 0.212 884 L C 2.407 179.247 176.870 -0.051 0.000 1.073 884 L CA 1.786 56.588 54.840 -0.064 0.000 0.753 884 L CB -0.630 41.398 42.059 -0.051 0.000 0.890 884 L HN 0.312 nan 8.230 nan 0.000 0.432 885 D N -0.269 120.107 120.400 -0.040 0.000 2.178 885 D HA -0.160 4.482 4.640 0.003 0.000 0.201 885 D C 1.503 177.799 176.300 -0.008 0.000 0.980 885 D CA 1.064 55.048 54.000 -0.027 0.000 0.842 885 D CB -0.204 40.579 40.800 -0.029 0.000 0.948 885 D HN 0.358 nan 8.370 nan 0.000 0.472 886 D N -0.601 119.808 120.400 0.016 0.000 2.363 886 D HA 0.084 4.726 4.640 0.003 0.000 0.226 886 D C 1.505 177.854 176.300 0.082 0.000 1.020 886 D CA 0.755 54.814 54.000 0.099 0.000 0.892 886 D CB 0.540 41.497 40.800 0.261 0.000 0.900 886 D HN 0.304 nan 8.370 nan 0.000 0.531 887 G N 0.241 109.022 108.800 -0.032 0.000 2.159 887 G HA2 -0.258 3.704 3.960 0.003 0.000 0.227 887 G HA3 -0.258 3.704 3.960 0.003 0.000 0.227 887 G C -0.263 174.432 174.900 -0.340 0.000 0.986 887 G CA -0.496 44.502 45.100 -0.170 0.000 0.651 887 G HN 0.307 nan 8.290 nan 0.000 0.523 888 Y N 0.705 120.894 120.300 -0.184 0.000 2.345 888 Y HA 0.578 5.129 4.550 0.003 0.000 0.331 888 Y C 0.836 176.619 175.900 -0.195 0.000 0.959 888 Y CA -1.092 56.885 58.100 -0.206 0.000 1.204 888 Y CB 0.978 39.220 38.460 -0.363 0.000 1.135 888 Y HN 0.411 nan 8.280 nan 0.000 0.477 889 L N 1.731 122.942 121.223 -0.020 0.000 2.472 889 L HA 0.672 5.014 4.340 0.003 0.000 0.260 889 L C -0.549 176.278 176.870 -0.071 0.000 1.209 889 L CA -0.644 54.165 54.840 -0.052 0.000 0.817 889 L CB 0.168 42.194 42.059 -0.055 0.000 1.106 889 L HN 0.256 nan 8.230 nan 0.000 0.479 890 V N 0.226 120.060 119.914 -0.132 0.000 2.656 890 V HA 0.723 4.845 4.120 0.003 0.000 0.307 890 V C 0.579 176.542 176.094 -0.218 0.000 1.051 890 V CA -0.228 61.920 62.300 -0.253 0.000 0.893 890 V CB 1.438 33.013 31.823 -0.414 0.000 0.999 890 V HN 1.104 nan 8.190 nan 0.000 0.426 891 G N 2.193 110.850 108.800 -0.238 0.000 2.356 891 G HA2 0.478 4.440 3.960 0.003 0.000 0.298 891 G HA3 0.478 4.440 3.960 0.003 0.000 0.298 891 G C -0.035 174.751 174.900 -0.191 0.000 1.145 891 G CA -0.212 44.764 45.100 -0.206 0.000 0.850 891 G HN 0.650 nan 8.290 nan 0.000 0.487 892 S N 0.526 116.152 115.700 -0.124 0.000 2.585 892 S HA 0.504 4.976 4.470 0.003 0.000 0.273 892 S C 0.421 175.001 174.600 -0.033 0.000 1.339 892 S CA -0.142 58.011 58.200 -0.077 0.000 1.028 892 S CB 1.113 64.288 63.200 -0.042 0.000 0.906 892 S HN 0.730 nan 8.310 nan 0.000 0.528 893 R N -0.002 120.499 120.500 0.002 0.000 2.629 893 R HA 0.529 4.871 4.340 0.003 0.000 0.266 893 R C -0.055 176.311 176.300 0.110 0.000 1.051 893 R CA 0.347 56.502 56.100 0.091 0.000 0.895 893 R CB 1.008 31.401 30.300 0.156 0.000 1.246 893 R HN 0.998 nan 8.270 nan 0.000 0.459 894 G N 0.986 109.910 108.800 0.208 0.000 2.693 894 G HA2 -0.319 3.643 3.960 0.003 0.000 0.226 894 G HA3 -0.319 3.643 3.960 0.003 0.000 0.226 894 G C 0.390 175.340 174.900 0.083 0.000 1.354 894 G CA 0.097 45.253 45.100 0.094 0.000 0.873 894 G HN 1.013 nan 8.290 nan 0.000 0.562 895 S N -0.754 115.023 115.700 0.128 0.000 2.562 895 S HA 0.121 4.593 4.470 0.003 0.000 0.221 895 S C 2.410 177.092 174.600 0.137 0.000 0.975 895 S CA 1.924 60.228 58.200 0.173 0.000 0.918 895 S CB -0.078 63.274 63.200 0.254 0.000 0.772 895 S HN 1.994 nan 8.310 nan 0.000 0.531 896 V N -0.016 119.907 119.914 0.015 0.000 2.720 896 V HA 0.121 4.243 4.120 0.003 0.000 0.256 896 V C 2.373 178.339 176.094 -0.214 0.000 1.082 896 V CA 1.411 63.508 62.300 -0.338 0.000 1.101 896 V CB -1.846 29.771 31.823 -0.343 0.000 0.693 896 V HN 0.519 nan 8.190 nan 0.000 0.479 897 G N 0.370 109.131 108.800 -0.066 0.000 2.708 897 G HA2 -0.108 3.854 3.960 0.003 0.000 0.210 897 G HA3 -0.108 3.854 3.960 0.003 0.000 0.210 897 G C 1.404 176.331 174.900 0.045 0.000 1.141 897 G CA 0.811 45.909 45.100 -0.004 0.000 0.788 897 G HN 0.604 nan 8.290 nan 0.000 0.531 898 S N -0.418 115.301 115.700 0.031 0.000 2.561 898 S HA 0.136 4.607 4.470 0.003 0.000 0.225 898 S C 1.112 175.822 174.600 0.182 0.000 0.977 898 S CA 0.205 58.464 58.200 0.098 0.000 0.926 898 S CB 0.264 63.519 63.200 0.092 0.000 0.769 898 S HN 0.267 nan 8.310 nan 0.000 0.533 899 S N 0.807 116.582 115.700 0.125 0.000 2.498 899 S HA 0.412 4.883 4.470 0.003 0.000 0.324 899 S C 0.369 175.090 174.600 0.202 0.000 1.071 899 S CA -0.844 57.514 58.200 0.263 0.000 1.113 899 S CB 0.111 63.392 63.200 0.135 0.000 0.976 899 S HN 0.276 nan 8.310 nan 0.000 0.462 900 F N 5.480 125.458 119.950 0.047 0.000 2.216 900 F HA -0.043 4.485 4.527 0.003 0.000 0.300 900 F C 1.758 177.553 175.800 -0.010 0.000 1.085 900 F CA 1.599 59.598 58.000 -0.001 0.000 1.326 900 F CB -0.252 38.705 39.000 -0.071 0.000 1.027 900 F HN 0.517 nan 8.300 nan 0.000 0.497 901 V N 0.422 120.314 119.914 -0.036 0.000 2.392 901 V HA -0.328 3.794 4.120 0.003 0.000 0.249 901 V C 2.734 178.834 176.094 0.010 0.000 1.059 901 V CA 1.758 63.989 62.300 -0.115 0.000 1.051 901 V CB -1.542 30.212 31.823 -0.115 0.000 0.658 901 V HN 0.479 nan 8.190 nan 0.000 0.455 902 A N -0.196 122.722 122.820 0.164 0.000 1.933 902 A HA -0.201 4.121 4.320 0.003 0.000 0.218 902 A C 2.396 179.955 177.584 -0.041 0.000 1.175 902 A CA 2.350 54.443 52.037 0.093 0.000 0.628 902 A CB -0.857 18.100 19.000 -0.072 0.000 0.814 902 A HN 0.521 nan 8.150 nan 0.000 0.444 903 T N 0.141 114.628 114.554 -0.112 0.000 2.708 903 T HA -0.119 4.233 4.350 0.003 0.000 0.266 903 T C 1.819 176.384 174.700 -0.224 0.000 1.037 903 T CA 1.571 63.582 62.100 -0.147 0.000 1.146 903 T CB -0.241 68.540 68.868 -0.144 0.000 0.865 903 T HN 0.281 nan 8.240 nan 0.000 0.435 904 M N 2.019 121.374 119.600 -0.409 0.000 2.476 904 M HA 0.025 4.507 4.480 0.003 0.000 0.262 904 M C 2.100 178.306 176.300 -0.157 0.000 1.079 904 M CA 1.070 56.171 55.300 -0.330 0.000 1.104 904 M CB -1.446 30.876 32.600 -0.463 0.000 1.409 904 M HN 0.408 nan 8.290 nan 0.000 0.467 905 T N -3.171 111.325 114.554 -0.096 0.000 3.105 905 T HA 0.201 4.553 4.350 0.003 0.000 0.253 905 T C 0.319 175.075 174.700 0.093 0.000 1.047 905 T CA -0.215 61.851 62.100 -0.057 0.000 0.944 905 T CB -0.188 68.688 68.868 0.013 0.000 1.016 905 T HN 0.465 nan 8.240 nan 0.000 0.544 906 E N -0.184 120.050 120.200 0.057 0.000 2.320 906 E HA -0.166 4.186 4.350 0.003 0.000 0.234 906 E C -0.118 176.535 176.600 0.088 0.000 1.183 906 E CA 0.020 56.472 56.400 0.086 0.000 0.713 906 E CB -1.352 28.423 29.700 0.126 0.000 1.226 906 E HN 0.433 nan 8.360 nan 0.000 0.382 907 I N -0.493 120.099 120.570 0.037 0.000 4.139 907 I HA 0.080 4.252 4.170 0.003 0.000 0.335 907 I C 0.553 176.639 176.117 -0.053 0.000 1.327 907 I CA 0.754 62.050 61.300 -0.007 0.000 1.112 907 I CB 1.656 39.633 38.000 -0.037 0.000 1.058 907 I HN 0.156 nan 8.210 nan 0.000 0.396 908 T N -1.356 113.176 114.554 -0.036 0.000 2.942 908 T HA 0.263 4.615 4.350 0.003 0.000 0.327 908 T C 0.187 174.889 174.700 0.004 0.000 1.360 908 T CA -0.411 61.672 62.100 -0.030 0.000 1.055 908 T CB 1.173 70.022 68.868 -0.033 0.000 1.261 908 T HN 0.123 nan 8.240 nan 0.000 0.485 909 E N 1.416 121.628 120.200 0.021 0.000 2.489 909 E HA 0.170 4.522 4.350 0.003 0.000 0.193 909 E C 0.106 176.778 176.600 0.121 0.000 1.057 909 E CA 0.056 56.494 56.400 0.063 0.000 0.866 909 E CB 0.516 30.255 29.700 0.064 0.000 0.916 909 E HN 0.324 nan 8.360 nan 0.000 0.500 910 V N 2.032 122.009 119.914 0.105 0.000 2.461 910 V HA 0.074 4.196 4.120 0.003 0.000 0.275 910 V C -0.072 176.139 176.094 0.195 0.000 1.047 910 V CA -0.380 62.018 62.300 0.164 0.000 0.955 910 V CB 0.968 32.850 31.823 0.098 0.000 0.988 910 V HN 0.125 nan 8.190 nan 0.000 0.471 911 N N 6.670 125.521 118.700 0.252 0.000 2.457 911 N HA 0.379 5.121 4.740 0.003 0.000 0.250 911 N C -1.790 173.851 175.510 0.218 0.000 0.982 911 N CA -1.613 51.586 53.050 0.247 0.000 0.941 911 N CB 1.918 40.543 38.487 0.230 0.000 1.120 911 N HN 0.363 nan 8.380 nan 0.000 0.505 912 P HA 0.011 nan 4.420 nan 0.000 0.251 912 P C 0.129 177.497 177.300 0.113 0.000 1.223 912 P CA 0.177 63.387 63.100 0.184 0.000 0.796 912 P CB 0.467 32.283 31.700 0.193 0.000 1.068 913 L N 0.685 121.963 121.223 0.091 0.000 2.483 913 L HA 0.097 4.439 4.340 0.003 0.000 0.277 913 L C -1.820 175.106 176.870 0.093 0.000 1.248 913 L CA -1.613 53.224 54.840 -0.005 0.000 0.825 913 L CB -0.987 41.015 42.059 -0.094 0.000 1.096 913 L HN -0.154 nan 8.230 nan 0.000 0.512 914 P HA 0.083 nan 4.420 nan 0.000 0.271 914 P C -2.492 174.954 177.300 0.244 0.000 1.244 914 P CA -0.917 62.276 63.100 0.155 0.000 0.793 914 P CB -0.182 31.614 31.700 0.159 0.000 0.984 915 P HA 0.063 nan 4.420 nan 0.000 0.269 915 P C -0.727 176.575 177.300 0.003 0.000 1.209 915 P CA 0.965 64.071 63.100 0.010 0.000 0.776 915 P CB 0.146 31.868 31.700 0.036 0.000 0.876 916 H N -0.412 118.421 119.070 -0.394 0.000 3.024 916 H HA 0.295 4.853 4.556 0.003 0.000 0.324 916 H C -1.564 173.386 175.328 -0.629 0.000 1.347 916 H CA -0.683 54.953 56.048 -0.687 0.000 1.182 916 H CB -0.065 28.895 29.762 -1.337 0.000 1.889 916 H HN 0.291 nan 8.280 nan 0.000 0.528 917 Y N 0.857 120.875 120.300 -0.471 0.000 2.323 917 Y HA 0.468 5.019 4.550 0.003 0.000 0.331 917 Y C 0.513 176.160 175.900 -0.421 0.000 1.092 917 Y CA -0.691 57.020 58.100 -0.648 0.000 1.150 917 Y CB 1.994 39.616 38.460 -1.396 0.000 1.200 917 Y HN 0.506 nan 8.280 nan 0.000 0.472 918 V N 0.429 120.353 119.914 0.018 0.000 2.789 918 V HA 0.386 4.507 4.120 0.003 0.000 0.311 918 V C -0.570 175.730 176.094 0.342 0.000 1.073 918 V CA -1.420 60.988 62.300 0.180 0.000 0.921 918 V CB 1.238 33.087 31.823 0.044 0.000 1.009 918 V HN 0.917 nan 8.190 nan 0.000 0.426 919 C N 6.866 126.379 119.300 0.355 0.000 2.394 919 C HA 0.540 5.002 4.460 0.003 0.000 0.362 919 C C -0.581 174.455 174.990 0.077 0.000 1.268 919 C CA -1.134 58.003 59.018 0.199 0.000 1.828 919 C CB 0.764 28.558 27.740 0.090 0.000 2.442 919 C HN 0.893 nan 8.230 nan 0.000 0.549 920 P HA -0.030 nan 4.420 nan 0.000 0.242 920 P C 0.477 177.777 177.300 -0.000 0.000 1.197 920 P CA 1.126 64.229 63.100 0.005 0.000 0.765 920 P CB -0.119 31.580 31.700 -0.001 0.000 0.936 921 N N -0.711 117.992 118.700 0.005 0.000 3.046 921 N HA -0.043 4.699 4.740 0.003 0.000 0.240 921 N C 1.492 177.008 175.510 0.010 0.000 1.017 921 N CA 0.339 53.388 53.050 -0.002 0.000 1.126 921 N CB -0.184 38.291 38.487 -0.020 0.000 1.642 921 N HN 0.063 nan 8.380 nan 0.000 0.548 922 C N 1.601 120.910 119.300 0.013 0.000 2.500 922 C HA 0.355 4.817 4.460 0.003 0.000 0.273 922 C C 1.299 176.339 174.990 0.083 0.000 1.428 922 C CA 0.589 59.628 59.018 0.036 0.000 1.766 922 C CB -1.166 26.583 27.740 0.014 0.000 1.817 922 C HN 0.658 nan 8.230 nan 0.000 0.543 923 K N -0.998 119.457 120.400 0.091 0.000 3.547 923 K HA -0.267 4.055 4.320 0.003 0.000 0.309 923 K C 0.249 176.954 176.600 0.175 0.000 1.324 923 K CA 1.378 57.728 56.287 0.106 0.000 0.988 923 K CB -2.615 29.936 32.500 0.084 0.000 1.261 923 K HN 0.932 nan 8.250 nan 0.000 0.444 924 H N 0.244 119.390 119.070 0.127 0.000 2.948 924 H HA 0.307 4.865 4.556 0.003 0.000 0.351 924 H C -0.366 175.107 175.328 0.242 0.000 1.079 924 H CA 1.239 57.387 56.048 0.167 0.000 1.407 924 H CB 0.595 30.440 29.762 0.138 0.000 1.373 924 H HN 0.173 nan 8.280 nan 0.000 0.605 925 S N 3.425 118.952 115.700 -0.289 0.000 2.568 925 S HA 0.425 4.896 4.470 0.003 0.000 0.293 925 S C -1.038 173.453 174.600 -0.181 0.000 1.089 925 S CA -1.153 56.996 58.200 -0.085 0.000 0.945 925 S CB 1.989 65.281 63.200 0.154 0.000 1.077 925 S HN 0.721 nan 8.310 nan 0.000 0.485 926 E N 0.912 120.980 120.200 -0.220 0.000 2.283 926 E HA 0.410 4.761 4.350 0.003 0.000 0.258 926 E C -1.604 174.619 176.600 -0.630 0.000 0.893 926 E CA -0.291 55.937 56.400 -0.287 0.000 0.798 926 E CB 1.333 30.928 29.700 -0.174 0.000 1.242 926 E HN 0.429 nan 8.360 nan 0.000 0.414 927 F N 1.547 121.165 119.950 -0.552 0.000 2.470 927 F HA 0.524 5.052 4.527 0.003 0.000 0.329 927 F C -0.156 175.205 175.800 -0.732 0.000 1.072 927 F CA -0.697 56.988 58.000 -0.525 0.000 0.989 927 F CB 1.049 39.856 39.000 -0.320 0.000 1.193 927 F HN 0.332 nan 8.300 nan 0.000 0.481 928 F N 1.117 121.151 119.950 0.141 0.000 2.496 928 F HA 0.359 4.888 4.527 0.003 0.000 0.341 928 F C 0.284 176.121 175.800 0.063 0.000 1.134 928 F CA -0.589 57.454 58.000 0.071 0.000 0.968 928 F CB 1.124 40.131 39.000 0.011 0.000 1.205 928 F HN 0.389 nan 8.300 nan 0.000 0.436 929 N N 1.061 119.883 118.700 0.204 0.000 2.205 929 N HA -0.041 4.701 4.740 0.003 0.000 0.201 929 N C 0.944 176.517 175.510 0.104 0.000 1.128 929 N CA -0.025 53.097 53.050 0.120 0.000 0.867 929 N CB 0.156 38.678 38.487 0.058 0.000 0.996 929 N HN 0.491 nan 8.380 nan 0.000 0.503 930 D N 0.359 120.837 120.400 0.130 0.000 2.315 930 D HA -0.160 4.482 4.640 0.003 0.000 0.211 930 D C 1.608 177.941 176.300 0.054 0.000 0.977 930 D CA 1.234 55.284 54.000 0.084 0.000 0.894 930 D CB -0.236 40.610 40.800 0.076 0.000 0.910 930 D HN 0.354 nan 8.370 nan 0.000 0.490 931 G N 0.901 109.738 108.800 0.062 0.000 2.228 931 G HA2 -0.432 3.530 3.960 0.003 0.000 0.270 931 G HA3 -0.432 3.530 3.960 0.003 0.000 0.270 931 G C 1.294 176.206 174.900 0.019 0.000 0.976 931 G CA 1.250 46.373 45.100 0.037 0.000 0.636 931 G HN 0.556 nan 8.290 nan 0.000 0.542 932 S N -1.274 114.432 115.700 0.011 0.000 2.474 932 S HA 0.328 4.799 4.470 0.003 0.000 0.235 932 S C 0.845 175.428 174.600 -0.029 0.000 0.997 932 S CA 1.111 59.303 58.200 -0.013 0.000 0.949 932 S CB 0.344 63.530 63.200 -0.024 0.000 0.766 932 S HN 0.950 nan 8.310 nan 0.000 0.517 933 V N 1.535 121.431 119.914 -0.030 0.000 2.448 933 V HA 0.617 4.739 4.120 0.003 0.000 0.295 933 V C 1.453 177.547 176.094 -0.001 0.000 1.025 933 V CA -0.283 61.989 62.300 -0.047 0.000 0.859 933 V CB 1.191 32.938 31.823 -0.127 0.000 0.988 933 V HN 0.347 nan 8.190 nan 0.000 0.431 934 G N 3.061 111.869 108.800 0.014 0.000 2.394 934 G HA2 0.025 3.987 3.960 0.003 0.000 0.215 934 G HA3 0.025 3.987 3.960 0.003 0.000 0.215 934 G C 0.618 175.556 174.900 0.063 0.000 1.165 934 G CA 1.000 46.128 45.100 0.048 0.000 0.784 934 G HN 0.723 nan 8.290 nan 0.000 0.535 935 S N -1.892 113.834 115.700 0.044 0.000 2.546 935 S HA 0.504 4.976 4.470 0.003 0.000 0.272 935 S C 1.164 175.691 174.600 -0.122 0.000 1.140 935 S CA 0.427 58.624 58.200 -0.006 0.000 0.920 935 S CB 1.285 64.575 63.200 0.150 0.000 1.083 935 S HN 0.407 nan 8.310 nan 0.000 0.476 936 G N 2.428 111.054 108.800 -0.289 0.000 2.485 936 G HA2 -0.142 3.820 3.960 0.003 0.000 0.221 936 G HA3 -0.142 3.820 3.960 0.003 0.000 0.221 936 G C 1.041 175.883 174.900 -0.097 0.000 1.115 936 G CA 0.732 45.657 45.100 -0.292 0.000 0.751 936 G HN 0.784 nan 8.290 nan 0.000 0.567 937 F N 0.616 120.385 119.950 -0.303 0.000 2.546 937 F HA -0.021 4.507 4.527 0.003 0.000 0.298 937 F C 1.858 177.583 175.800 -0.124 0.000 1.120 937 F CA 0.068 57.898 58.000 -0.284 0.000 1.456 937 F CB 0.189 38.851 39.000 -0.564 0.000 1.088 937 F HN 0.125 nan 8.300 nan 0.000 0.572 938 D N 0.543 120.997 120.400 0.090 0.000 2.333 938 D HA 0.083 4.724 4.640 0.003 0.000 0.208 938 D C 0.908 177.218 176.300 0.018 0.000 0.984 938 D CA 0.349 54.393 54.000 0.074 0.000 0.873 938 D CB 0.172 41.010 40.800 0.062 0.000 0.935 938 D HN 0.182 nan 8.370 nan 0.000 0.521 939 L N 2.717 123.918 121.223 -0.038 0.000 2.483 939 L HA 0.108 4.450 4.340 0.003 0.000 0.276 939 L C -1.917 174.996 176.870 0.070 0.000 1.213 939 L CA -1.286 53.524 54.840 -0.049 0.000 0.843 939 L CB -0.058 41.836 42.059 -0.275 0.000 1.107 939 L HN -0.170 nan 8.230 nan 0.000 0.487 940 P HA 0.097 nan 4.420 nan 0.000 0.275 940 P C -1.100 176.328 177.300 0.214 0.000 1.227 940 P CA -0.536 62.645 63.100 0.135 0.000 0.781 940 P CB 0.456 32.219 31.700 0.105 0.000 0.906 941 D N 1.387 121.875 120.400 0.146 0.000 2.601 941 D HA 0.056 4.698 4.640 0.003 0.000 0.229 941 D C 0.476 176.845 176.300 0.114 0.000 1.140 941 D CA 1.209 55.293 54.000 0.140 0.000 0.862 941 D CB 0.321 41.164 40.800 0.072 0.000 1.192 941 D HN 0.286 nan 8.370 nan 0.000 0.480 942 K N 0.843 121.297 120.400 0.089 0.000 2.568 942 K HA 0.294 4.616 4.320 0.003 0.000 0.273 942 K C -1.584 175.005 176.600 -0.018 0.000 0.951 942 K CA -0.755 55.520 56.287 -0.019 0.000 0.854 942 K CB 1.357 33.696 32.500 -0.269 0.000 1.424 942 K HN 0.458 nan 8.250 nan 0.000 0.427 943 N N 0.753 119.374 118.700 -0.133 0.000 2.443 943 N HA 0.236 4.978 4.740 0.003 0.000 0.295 943 N C -0.900 174.221 175.510 -0.648 0.000 1.076 943 N CA -0.728 52.137 53.050 -0.309 0.000 0.919 943 N CB 1.733 40.105 38.487 -0.192 0.000 1.176 943 N HN 0.432 nan 8.380 nan 0.000 0.487 944 C N 4.344 123.064 119.300 -0.965 0.000 2.638 944 C HA 0.083 4.545 4.460 0.003 0.000 0.400 944 C C -0.858 173.876 174.990 -0.428 0.000 1.421 944 C CA -1.474 56.968 59.018 -0.962 0.000 1.492 944 C CB -0.603 26.757 27.740 -0.635 0.000 2.372 944 C HN 0.670 nan 8.230 nan 0.000 0.618 945 P HA -0.083 nan 4.420 nan 0.000 0.242 945 P C 0.930 178.119 177.300 -0.186 0.000 1.198 945 P CA 1.097 64.091 63.100 -0.177 0.000 0.756 945 P CB -0.138 31.501 31.700 -0.100 0.000 0.911 946 R N -0.624 119.740 120.500 -0.226 0.000 2.350 946 R HA 0.088 4.430 4.340 0.003 0.000 0.199 946 R C 1.774 177.995 176.300 -0.133 0.000 0.876 946 R CA 0.885 56.872 56.100 -0.189 0.000 1.062 946 R CB 0.194 30.345 30.300 -0.248 0.000 1.263 946 R HN 0.276 nan 8.270 nan 0.000 0.641 947 C N -2.880 116.334 119.300 -0.143 0.000 3.403 947 C HA 0.569 5.031 4.460 0.003 0.000 0.317 947 C C 1.438 176.360 174.990 -0.114 0.000 1.346 947 C CA 0.223 59.178 59.018 -0.104 0.000 1.743 947 C CB 0.665 28.355 27.740 -0.084 0.000 2.308 947 C HN 0.607 nan 8.230 nan 0.000 0.675 948 G N 1.547 110.254 108.800 -0.154 0.000 2.253 948 G HA2 -0.228 3.734 3.960 0.003 0.000 0.251 948 G HA3 -0.228 3.734 3.960 0.003 0.000 0.251 948 G C 0.193 174.998 174.900 -0.157 0.000 0.998 948 G CA 0.582 45.595 45.100 -0.145 0.000 0.621 948 G HN 0.910 nan 8.290 nan 0.000 0.524 949 T N 0.182 114.641 114.554 -0.159 0.000 2.906 949 T HA 0.356 4.708 4.350 0.003 0.000 0.320 949 T C 0.455 175.044 174.700 -0.185 0.000 1.088 949 T CA 0.669 62.685 62.100 -0.140 0.000 1.120 949 T CB 1.542 70.343 68.868 -0.112 0.000 1.000 949 T HN 0.723 nan 8.240 nan 0.000 0.550 950 K N 1.417 121.750 120.400 -0.112 0.000 2.322 950 K HA 0.124 4.446 4.320 0.003 0.000 0.283 950 K C -0.823 175.769 176.600 -0.014 0.000 1.042 950 K CA -0.523 55.716 56.287 -0.079 0.000 0.958 950 K CB 0.153 32.635 32.500 -0.031 0.000 0.984 950 K HN 0.486 nan 8.250 nan 0.000 0.473 951 Y N 3.259 123.543 120.300 -0.027 0.000 2.497 951 Y HA 0.100 4.651 4.550 0.003 0.000 0.334 951 Y C 0.457 176.395 175.900 0.062 0.000 1.199 951 Y CA 0.150 58.264 58.100 0.023 0.000 1.425 951 Y CB 0.785 39.248 38.460 0.005 0.000 1.291 951 Y HN 0.541 nan 8.280 nan 0.000 0.562 952 K N 2.914 123.481 120.400 0.279 0.000 2.098 952 K HA 0.398 4.720 4.320 0.003 0.000 0.261 952 K C -0.949 175.689 176.600 0.064 0.000 0.987 952 K CA -0.573 55.780 56.287 0.111 0.000 0.916 952 K CB 0.723 33.248 32.500 0.042 0.000 1.039 952 K HN 0.473 nan 8.250 nan 0.000 0.455 953 K N 1.548 121.925 120.400 -0.038 0.000 2.375 953 K HA 0.533 4.855 4.320 0.003 0.000 0.249 953 K C -1.090 175.425 176.600 -0.141 0.000 0.942 953 K CA -1.027 55.160 56.287 -0.167 0.000 0.806 953 K CB 1.947 34.381 32.500 -0.110 0.000 1.227 953 K HN 0.479 nan 8.250 nan 0.000 0.430 954 D N -0.595 119.549 120.400 -0.427 0.000 2.769 954 D HA 0.460 5.102 4.640 0.003 0.000 0.309 954 D C -1.432 174.399 176.300 -0.781 0.000 1.315 954 D CA 0.485 54.227 54.000 -0.430 0.000 0.780 954 D CB 1.973 42.630 40.800 -0.239 0.000 1.312 954 D HN 0.666 nan 8.370 nan 0.000 0.437 955 G N 0.765 109.155 108.800 -0.682 0.000 3.445 955 G HA2 -0.026 3.936 3.960 0.003 0.000 0.686 955 G HA3 -0.026 3.936 3.960 0.003 0.000 0.686 955 G C -0.261 174.289 174.900 -0.583 0.000 1.113 955 G CA -0.326 44.557 45.100 -0.363 0.000 0.974 955 G HN 0.462 nan 8.290 nan 0.000 0.492 956 H N 1.432 120.448 119.070 -0.092 0.000 2.672 956 H HA 0.208 4.766 4.556 0.003 0.000 0.277 956 H C 0.881 176.210 175.328 0.003 0.000 1.074 956 H CA 0.368 56.364 56.048 -0.088 0.000 1.173 956 H CB 0.832 30.535 29.762 -0.098 0.000 1.558 956 H HN 0.747 nan 8.280 nan 0.000 0.539 957 D N 1.229 121.685 120.400 0.092 0.000 2.828 957 D HA -0.168 4.474 4.640 0.003 0.000 0.241 957 D C -0.660 175.702 176.300 0.104 0.000 1.142 957 D CA 0.344 54.398 54.000 0.089 0.000 0.755 957 D CB -1.537 39.311 40.800 0.080 0.000 1.014 957 D HN 0.428 nan 8.370 nan 0.000 0.420 958 I N 1.432 122.070 120.570 0.114 0.000 2.433 958 I HA 0.401 4.573 4.170 0.003 0.000 0.292 958 I C -1.929 174.260 176.117 0.119 0.000 1.001 958 I CA -2.006 59.365 61.300 0.118 0.000 1.119 958 I CB 2.104 40.181 38.000 0.129 0.000 1.289 958 I HN -0.081 nan 8.210 nan 0.000 0.438 959 P HA 0.044 nan 4.420 nan 0.000 0.276 959 P C 0.451 177.837 177.300 0.142 0.000 1.230 959 P CA -0.214 62.959 63.100 0.123 0.000 0.776 959 P CB 0.706 32.477 31.700 0.118 0.000 0.888 960 F N 3.296 123.245 119.950 -0.001 0.000 2.250 960 F HA -0.175 4.354 4.527 0.003 0.000 0.301 960 F C 1.520 177.313 175.800 -0.013 0.000 1.077 960 F CA 1.682 59.684 58.000 0.002 0.000 1.348 960 F CB -0.266 38.716 39.000 -0.031 0.000 1.040 960 F HN 0.265 nan 8.300 nan 0.000 0.509 961 E N -0.567 119.510 120.200 -0.205 0.000 2.347 961 E HA -0.097 4.254 4.350 0.003 0.000 0.196 961 E C 2.086 178.569 176.600 -0.195 0.000 1.008 961 E CA 1.253 57.377 56.400 -0.460 0.000 0.852 961 E CB -0.463 28.802 29.700 -0.726 0.000 0.783 961 E HN 0.298 nan 8.360 nan 0.000 0.505 962 T N 0.251 114.806 114.554 0.003 0.000 2.849 962 T HA -0.143 4.208 4.350 0.003 0.000 0.270 962 T C 1.317 176.095 174.700 0.130 0.000 1.066 962 T CA 0.939 63.124 62.100 0.143 0.000 1.130 962 T CB -0.226 68.713 68.868 0.118 0.000 0.864 962 T HN 0.246 nan 8.240 nan 0.000 0.481 963 F N 0.428 120.255 119.950 -0.206 0.000 2.104 963 F HA 0.275 4.804 4.527 0.003 0.000 0.288 963 F C 1.710 177.325 175.800 -0.309 0.000 1.107 963 F CA 0.865 58.721 58.000 -0.241 0.000 1.208 963 F CB 0.077 38.875 39.000 -0.337 0.000 1.033 963 F HN -0.064 nan 8.300 nan 0.000 0.478 964 L N 0.067 120.922 121.223 -0.614 0.000 2.616 964 L HA 0.312 4.654 4.340 0.003 0.000 0.229 964 L C 0.970 177.448 176.870 -0.653 0.000 1.110 964 L CA 0.367 54.779 54.840 -0.713 0.000 0.884 964 L CB -0.252 41.436 42.059 -0.619 0.000 1.115 964 L HN 0.575 nan 8.230 nan 0.000 0.481 965 G N -0.043 108.252 108.800 -0.841 0.000 2.598 965 G HA2 -0.353 3.609 3.960 0.003 0.000 0.244 965 G HA3 -0.353 3.609 3.960 0.003 0.000 0.244 965 G C 0.032 174.333 174.900 -0.999 0.000 1.302 965 G CA 0.382 44.560 45.100 -1.538 0.000 0.903 965 G HN 0.077 nan 8.290 nan 0.000 0.575 966 F N 0.225 119.772 119.950 -0.672 0.000 2.619 966 F HA 0.279 4.808 4.527 0.003 0.000 0.281 966 F C 2.601 178.297 175.800 -0.174 0.000 1.065 966 F CA 0.854 58.679 58.000 -0.291 0.000 1.304 966 F CB 0.069 38.947 39.000 -0.204 0.000 1.059 966 F HN 0.262 nan 8.300 nan 0.000 0.648 967 K N 0.362 120.749 120.400 -0.022 0.000 2.217 967 K HA 0.111 4.433 4.320 0.003 0.000 0.202 967 K C 1.413 177.913 176.600 -0.166 0.000 1.051 967 K CA 1.045 57.319 56.287 -0.021 0.000 0.952 967 K CB -0.779 31.716 32.500 -0.009 0.000 0.736 967 K HN 0.324 nan 8.250 nan 0.000 0.453 968 G N 1.606 110.181 108.800 -0.375 0.000 2.323 968 G HA2 -0.349 3.613 3.960 0.003 0.000 0.292 968 G HA3 -0.349 3.613 3.960 0.003 0.000 0.292 968 G C 0.478 175.135 174.900 -0.406 0.000 1.040 968 G CA 0.995 45.650 45.100 -0.742 0.000 0.942 968 G HN 0.539 nan 8.290 nan 0.000 0.506 969 D N -0.556 119.735 120.400 -0.182 0.000 2.348 969 D HA 0.283 4.925 4.640 0.003 0.000 0.211 969 D C 1.097 177.391 176.300 -0.010 0.000 0.998 969 D CA 1.230 55.199 54.000 -0.053 0.000 0.873 969 D CB 0.093 40.901 40.800 0.013 0.000 0.925 969 D HN 0.725 nan 8.370 nan 0.000 0.524 970 K N 0.492 120.865 120.400 -0.044 0.000 2.143 970 K HA 0.436 4.758 4.320 0.003 0.000 0.272 970 K C -0.803 175.797 176.600 -0.000 0.000 1.001 970 K CA -0.364 55.936 56.287 0.023 0.000 0.915 970 K CB 1.989 34.535 32.500 0.077 0.000 1.047 970 K HN 0.108 nan 8.250 nan 0.000 0.458 971 V N 6.522 126.503 119.914 0.112 0.000 2.275 971 V HA 0.457 4.579 4.120 0.003 0.000 0.272 971 V C -2.388 173.787 176.094 0.136 0.000 1.028 971 V CA -1.872 60.537 62.300 0.182 0.000 0.810 971 V CB 0.943 32.874 31.823 0.179 0.000 1.043 971 V HN 0.807 nan 8.190 nan 0.000 0.453 972 P HA 0.546 nan 4.420 nan 0.000 0.297 972 P C -1.317 176.071 177.300 0.146 0.000 1.307 972 P CA -0.112 62.955 63.100 -0.056 0.000 0.773 972 P CB 1.343 32.686 31.700 -0.596 0.000 1.265 973 D N -1.605 118.893 120.400 0.164 0.000 2.585 973 D HA 0.471 5.113 4.640 0.003 0.000 0.254 973 D C -0.661 175.810 176.300 0.285 0.000 1.067 973 D CA -0.793 53.323 54.000 0.193 0.000 1.090 973 D CB 0.590 41.426 40.800 0.061 0.000 1.408 973 D HN 0.198 nan 8.370 nan 0.000 0.554 974 I N 0.330 121.021 120.570 0.203 0.000 2.378 974 I HA 0.238 4.409 4.170 0.003 0.000 0.291 974 I C -0.698 175.479 176.117 0.100 0.000 0.992 974 I CA -0.759 60.631 61.300 0.149 0.000 1.154 974 I CB 1.397 39.443 38.000 0.077 0.000 1.315 974 I HN 0.127 nan 8.210 nan 0.000 0.448 975 D N 7.626 128.079 120.400 0.088 0.000 2.217 975 D HA 0.481 5.123 4.640 0.003 0.000 0.243 975 D C -0.793 175.535 176.300 0.047 0.000 1.054 975 D CA -0.421 53.629 54.000 0.083 0.000 0.838 975 D CB 2.746 43.602 40.800 0.093 0.000 1.162 975 D HN 0.044 nan 8.370 nan 0.000 0.472 976 L N 2.434 123.691 121.223 0.056 0.000 2.408 976 L HA 0.273 4.615 4.340 0.003 0.000 0.268 976 L C -0.197 176.618 176.870 -0.091 0.000 0.986 976 L CA -0.734 54.055 54.840 -0.084 0.000 0.820 976 L CB 1.621 43.595 42.059 -0.142 0.000 1.303 976 L HN 0.193 nan 8.230 nan 0.000 0.411 977 N N 2.819 121.396 118.700 -0.206 0.000 2.500 977 N HA 0.376 5.118 4.740 0.003 0.000 0.236 977 N C -0.722 174.649 175.510 -0.232 0.000 1.022 977 N CA 0.011 52.987 53.050 -0.123 0.000 0.935 977 N CB 0.237 38.609 38.487 -0.191 0.000 1.147 977 N HN 0.237 nan 8.380 nan 0.000 0.512 978 F N -0.049 119.925 119.950 0.039 0.000 2.378 978 F HA 0.287 4.816 4.527 0.003 0.000 0.325 978 F C 1.529 177.361 175.800 0.055 0.000 1.097 978 F CA -0.828 57.195 58.000 0.039 0.000 1.079 978 F CB 0.800 39.840 39.000 0.066 0.000 1.240 978 F HN 0.178 nan 8.300 nan 0.000 0.519 979 S N 1.091 116.937 115.700 0.244 0.000 2.560 979 S HA 0.145 4.617 4.470 0.003 0.000 0.284 979 S C 1.399 176.075 174.600 0.127 0.000 1.327 979 S CA -0.171 58.137 58.200 0.181 0.000 1.055 979 S CB 0.873 64.220 63.200 0.246 0.000 0.868 979 S HN 0.876 nan 8.310 nan 0.000 0.506 980 G N 2.983 111.838 108.800 0.092 0.000 2.469 980 G HA2 -0.217 3.745 3.960 0.003 0.000 0.220 980 G HA3 -0.217 3.745 3.960 0.003 0.000 0.220 980 G C 1.154 176.059 174.900 0.007 0.000 1.136 980 G CA 1.066 46.192 45.100 0.044 0.000 0.759 980 G HN 0.909 nan 8.290 nan 0.000 0.562 981 E N -1.101 119.111 120.200 0.020 0.000 2.153 981 E HA -0.125 4.227 4.350 0.003 0.000 0.194 981 E C 2.006 178.510 176.600 -0.160 0.000 0.988 981 E CA 0.899 57.288 56.400 -0.020 0.000 0.811 981 E CB -0.151 29.606 29.700 0.096 0.000 0.746 981 E HN 0.660 nan 8.360 nan 0.000 0.466 982 Y N 1.134 121.191 120.300 -0.405 0.000 2.479 982 Y HA -0.024 4.528 4.550 0.003 0.000 0.283 982 Y C 2.435 178.130 175.900 -0.341 0.000 1.109 982 Y CA 0.677 58.461 58.100 -0.526 0.000 1.239 982 Y CB 0.283 38.261 38.460 -0.803 0.000 1.108 982 Y HN -0.094 nan 8.280 nan 0.000 0.548 983 Q N 0.629 120.315 119.800 -0.191 0.000 2.124 983 Q HA -0.267 4.075 4.340 0.003 0.000 0.215 983 Q C -0.847 174.838 176.000 -0.525 0.000 1.015 983 Q CA 2.926 58.512 55.803 -0.362 0.000 0.890 983 Q CB -1.035 27.561 28.738 -0.237 0.000 0.966 983 Q HN 0.331 nan 8.270 nan 0.000 0.412 984 P HA -0.169 nan 4.420 nan 0.000 0.216 984 P C 0.645 177.810 177.300 -0.224 0.000 1.153 984 P CA 1.673 64.671 63.100 -0.170 0.000 0.858 984 P CB -0.163 31.485 31.700 -0.086 0.000 0.789 985 R N -0.422 119.788 120.500 -0.484 0.000 2.081 985 R HA -0.033 4.309 4.340 0.003 0.000 0.235 985 R C 2.369 178.400 176.300 -0.448 0.000 1.131 985 R CA 1.489 57.264 56.100 -0.543 0.000 0.960 985 R CB -1.143 28.606 30.300 -0.918 0.000 0.856 985 R HN 0.140 nan 8.270 nan 0.000 0.436 986 A N 0.598 123.038 122.820 -0.633 0.000 1.902 986 A HA -0.210 4.112 4.320 0.003 0.000 0.217 986 A C 1.717 179.232 177.584 -0.116 0.000 1.181 986 A CA 1.488 53.301 52.037 -0.373 0.000 0.623 986 A CB -0.802 17.643 19.000 -0.925 0.000 0.818 986 A HN 0.419 nan 8.150 nan 0.000 0.443 987 H N -0.487 118.488 119.070 -0.159 0.000 2.289 987 H HA -0.147 4.410 4.556 0.003 0.000 0.296 987 H C 2.100 177.596 175.328 0.280 0.000 1.091 987 H CA 1.214 57.264 56.048 0.002 0.000 1.274 987 H CB 0.013 29.731 29.762 -0.074 0.000 1.364 987 H HN 0.416 nan 8.280 nan 0.000 0.490 988 N N 0.281 119.204 118.700 0.371 0.000 2.149 988 N HA -0.193 4.549 4.740 0.003 0.000 0.188 988 N C 1.683 177.330 175.510 0.228 0.000 1.019 988 N CA 0.929 54.138 53.050 0.265 0.000 0.857 988 N CB -0.513 38.038 38.487 0.107 0.000 0.997 988 N HN 0.385 nan 8.380 nan 0.000 0.426 989 Y N 1.991 122.323 120.300 0.054 0.000 2.333 989 Y HA -0.162 4.390 4.550 0.003 0.000 0.290 989 Y C 2.427 178.376 175.900 0.082 0.000 1.144 989 Y CA 1.561 59.685 58.100 0.040 0.000 1.228 989 Y CB -0.783 37.690 38.460 0.021 0.000 0.985 989 Y HN 0.187 nan 8.280 nan 0.000 0.542 990 T N -2.940 111.686 114.554 0.121 0.000 2.951 990 T HA -0.119 4.232 4.350 0.003 0.000 0.268 990 T C 1.886 176.685 174.700 0.164 0.000 1.073 990 T CA 1.231 63.407 62.100 0.126 0.000 1.134 990 T CB -0.238 68.797 68.868 0.279 0.000 0.884 990 T HN 0.268 nan 8.240 nan 0.000 0.479 991 K N 0.613 121.097 120.400 0.140 0.000 2.057 991 K HA -0.014 4.308 4.320 0.003 0.000 0.207 991 K C 2.332 178.925 176.600 -0.011 0.000 1.049 991 K CA 1.360 57.656 56.287 0.015 0.000 0.931 991 K CB -0.466 31.951 32.500 -0.139 0.000 0.714 991 K HN 0.228 nan 8.250 nan 0.000 0.440 992 V N 1.862 121.766 119.914 -0.015 0.000 2.295 992 V HA -0.237 3.885 4.120 0.003 0.000 0.246 992 V C 2.231 178.255 176.094 -0.116 0.000 1.049 992 V CA 1.585 63.867 62.300 -0.030 0.000 1.024 992 V CB -0.404 31.461 31.823 0.070 0.000 0.648 992 V HN 0.284 nan 8.190 nan 0.000 0.447 993 L N -1.676 119.386 121.223 -0.269 0.000 2.056 993 L HA -0.100 4.242 4.340 0.003 0.000 0.207 993 L C 2.248 178.902 176.870 -0.361 0.000 1.078 993 L CA 1.688 56.284 54.840 -0.406 0.000 0.749 993 L CB -0.386 41.274 42.059 -0.665 0.000 0.901 993 L HN 0.288 nan 8.230 nan 0.000 0.433 994 F N -0.545 119.350 119.950 -0.091 0.000 2.717 994 F HA 0.344 4.873 4.527 0.003 0.000 0.295 994 F C 1.262 177.031 175.800 -0.052 0.000 1.117 994 F CA 0.376 58.343 58.000 -0.055 0.000 1.361 994 F CB 0.215 39.186 39.000 -0.048 0.000 1.112 994 F HN 0.073 nan 8.300 nan 0.000 0.594 995 G N 0.683 109.538 108.800 0.092 0.000 2.788 995 G HA2 -0.203 3.759 3.960 0.003 0.000 0.686 995 G HA3 -0.203 3.759 3.960 0.003 0.000 0.686 995 G C 0.286 175.169 174.900 -0.028 0.000 1.147 995 G CA -0.297 44.819 45.100 0.026 0.000 0.755 995 G HN 0.210 nan 8.290 nan 0.000 0.634 996 E N -0.090 120.060 120.200 -0.083 0.000 2.130 996 E HA -0.155 4.197 4.350 0.003 0.000 0.196 996 E C 1.494 177.955 176.600 -0.232 0.000 0.998 996 E CA 1.756 58.051 56.400 -0.175 0.000 0.806 996 E CB 0.103 29.712 29.700 -0.152 0.000 0.738 996 E HN 0.492 nan 8.360 nan 0.000 0.459 997 D N -0.799 119.520 120.400 -0.136 0.000 2.340 997 D HA 0.043 4.685 4.640 0.003 0.000 0.217 997 D C 0.381 176.647 176.300 -0.057 0.000 1.081 997 D CA 0.176 54.114 54.000 -0.104 0.000 0.842 997 D CB 0.170 40.977 40.800 0.012 0.000 0.934 997 D HN 0.134 nan 8.370 nan 0.000 0.511 998 N N 0.341 118.984 118.700 -0.096 0.000 2.187 998 N HA 0.054 4.796 4.740 0.003 0.000 0.212 998 N C 0.035 175.461 175.510 -0.140 0.000 1.152 998 N CA 0.126 53.154 53.050 -0.038 0.000 0.872 998 N CB 2.206 40.700 38.487 0.012 0.000 1.025 998 N HN 0.051 nan 8.380 nan 0.000 0.514 999 V N -1.921 117.812 119.914 -0.302 0.000 2.925 999 V HA 0.667 4.789 4.120 0.003 0.000 0.311 999 V C -1.543 174.253 176.094 -0.497 0.000 1.104 999 V CA -0.881 61.281 62.300 -0.230 0.000 0.954 999 V CB 1.721 33.521 31.823 -0.038 0.000 1.022 999 V HN -0.067 nan 8.190 nan 0.000 0.427 1000 Y N 0.787 121.121 120.300 0.055 0.000 2.504 1000 Y HA 0.744 5.296 4.550 0.003 0.000 0.344 1000 Y C 0.031 175.866 175.900 -0.108 0.000 1.023 1000 Y CA -0.846 57.308 58.100 0.090 0.000 1.020 1000 Y CB 2.059 40.507 38.460 -0.021 0.000 1.282 1000 Y HN 0.862 nan 8.280 nan 0.000 0.454 1001 R N 2.050 122.528 120.500 -0.037 0.000 2.442 1001 R HA 0.605 4.947 4.340 0.003 0.000 0.291 1001 R C -0.341 175.887 176.300 -0.120 0.000 1.069 1001 R CA -0.007 55.890 56.100 -0.337 0.000 1.022 1001 R CB 0.331 30.374 30.300 -0.428 0.000 0.976 1001 R HN 0.791 nan 8.270 nan 0.000 0.443 1002 A N 3.538 126.247 122.820 -0.185 0.000 2.546 1002 A HA 0.383 4.705 4.320 0.003 0.000 0.243 1002 A C 0.466 178.071 177.584 0.034 0.000 1.063 1002 A CA 0.444 52.440 52.037 -0.068 0.000 0.757 1002 A CB -0.046 18.832 19.000 -0.203 0.000 0.991 1002 A HN 0.854 nan 8.150 nan 0.000 0.503 1003 G N 0.958 109.794 108.800 0.060 0.000 2.437 1003 G HA2 0.582 4.543 3.960 0.003 0.000 0.319 1003 G HA3 0.582 4.543 3.960 0.003 0.000 0.319 1003 G C 0.067 175.018 174.900 0.086 0.000 1.158 1003 G CA 0.304 45.440 45.100 0.058 0.000 0.899 1003 G HN 1.249 nan 8.290 nan 0.000 0.502 1004 T N -1.900 112.691 114.554 0.062 0.000 2.924 1004 T HA 0.674 5.026 4.350 0.003 0.000 0.291 1004 T C -0.571 174.143 174.700 0.024 0.000 1.045 1004 T CA -0.712 61.422 62.100 0.057 0.000 1.015 1004 T CB 1.728 70.624 68.868 0.047 0.000 1.103 1004 T HN 0.247 nan 8.240 nan 0.000 0.496 1005 I N 1.704 122.286 120.570 0.020 0.000 2.355 1005 I HA 0.500 4.672 4.170 0.003 0.000 0.288 1005 I C 0.891 177.020 176.117 0.019 0.000 0.999 1005 I CA -0.460 60.846 61.300 0.010 0.000 1.163 1005 I CB 1.443 39.441 38.000 -0.003 0.000 1.316 1005 I HN 0.970 nan 8.210 nan 0.000 0.454 1006 G N 4.497 113.314 108.800 0.027 0.000 2.356 1006 G HA2 0.483 4.445 3.960 0.003 0.000 0.300 1006 G HA3 0.483 4.445 3.960 0.003 0.000 0.300 1006 G C 0.094 175.017 174.900 0.038 0.000 1.107 1006 G CA -0.239 44.879 45.100 0.030 0.000 0.960 1006 G HN 0.559 nan 8.290 nan 0.000 0.418 1007 T N -0.987 113.583 114.554 0.027 0.000 2.948 1007 T HA 0.521 4.873 4.350 0.003 0.000 0.285 1007 T C 0.025 174.740 174.700 0.025 0.000 1.019 1007 T CA -0.805 61.314 62.100 0.032 0.000 1.013 1007 T CB 1.754 70.633 68.868 0.018 0.000 1.117 1007 T HN 0.231 nan 8.240 nan 0.000 0.533 1008 V N 2.111 122.046 119.914 0.034 0.000 2.415 1008 V HA 0.516 4.638 4.120 0.003 0.000 0.267 1008 V C 0.894 176.972 176.094 -0.027 0.000 1.042 1008 V CA -0.215 62.087 62.300 0.002 0.000 1.000 1008 V CB -0.663 31.189 31.823 0.048 0.000 1.015 1008 V HN 1.191 nan 8.190 nan 0.000 0.478 1009 A N 3.807 126.601 122.820 -0.043 0.000 2.261 1009 A HA 0.503 4.825 4.320 0.003 0.000 0.323 1009 A C 1.119 178.687 177.584 -0.027 0.000 1.107 1009 A CA -0.497 51.522 52.037 -0.030 0.000 0.883 1009 A CB 0.355 19.343 19.000 -0.020 0.000 1.251 1009 A HN 0.700 nan 8.150 nan 0.000 0.502 1010 D N 0.202 120.614 120.400 0.021 0.000 2.204 1010 D HA -0.201 4.441 4.640 0.003 0.000 0.189 1010 D C 1.654 178.048 176.300 0.157 0.000 1.006 1010 D CA 2.167 56.237 54.000 0.116 0.000 0.855 1010 D CB -0.095 40.796 40.800 0.152 0.000 0.946 1010 D HN 0.610 nan 8.370 nan 0.000 0.448 1011 K N -0.365 120.067 120.400 0.053 0.000 2.103 1011 K HA -0.083 4.239 4.320 0.003 0.000 0.207 1011 K C 2.202 178.779 176.600 -0.038 0.000 1.048 1011 K CA 1.273 57.573 56.287 0.022 0.000 0.930 1011 K CB -0.247 32.237 32.500 -0.027 0.000 0.716 1011 K HN 0.124 nan 8.250 nan 0.000 0.444 1012 T N 0.887 115.349 114.554 -0.153 0.000 2.896 1012 T HA -0.030 4.322 4.350 0.003 0.000 0.263 1012 T C 1.963 176.304 174.700 -0.597 0.000 1.050 1012 T CA 1.057 62.913 62.100 -0.406 0.000 1.140 1012 T CB -0.103 68.497 68.868 -0.447 0.000 0.877 1012 T HN 0.309 nan 8.240 nan 0.000 0.457 1013 A N 0.620 123.250 122.820 -0.317 0.000 1.858 1013 A HA -0.107 4.215 4.320 0.003 0.000 0.216 1013 A C 1.996 179.499 177.584 -0.135 0.000 1.190 1013 A CA 1.522 53.429 52.037 -0.215 0.000 0.617 1013 A CB -1.211 17.696 19.000 -0.156 0.000 0.827 1013 A HN 0.539 nan 8.150 nan 0.000 0.443 1014 Y N 0.221 120.471 120.300 -0.084 0.000 2.151 1014 Y HA -0.194 4.357 4.550 0.003 0.000 0.284 1014 Y C 2.809 178.706 175.900 -0.006 0.000 1.166 1014 Y CA 1.343 59.427 58.100 -0.027 0.000 1.163 1014 Y CB -0.852 37.592 38.460 -0.026 0.000 0.974 1014 Y HN 0.351 nan 8.280 nan 0.000 0.511 1015 G N -0.512 108.330 108.800 0.071 0.000 2.446 1015 G HA2 -0.265 3.697 3.960 0.003 0.000 0.217 1015 G HA3 -0.265 3.697 3.960 0.003 0.000 0.217 1015 G C 1.429 176.460 174.900 0.219 0.000 1.168 1015 G CA 1.084 46.226 45.100 0.070 0.000 0.771 1015 G HN 0.268 nan 8.290 nan 0.000 0.551 1016 F N 0.799 120.802 119.950 0.088 0.000 2.134 1016 F HA -0.041 4.487 4.527 0.002 0.000 0.299 1016 F C 2.915 178.776 175.800 0.101 0.000 1.097 1016 F CA 0.165 58.221 58.000 0.094 0.000 1.264 1016 F CB -1.095 37.941 39.000 0.060 0.000 1.001 1016 F HN -0.008 nan 8.300 nan 0.000 0.479 1017 V N -0.046 120.020 119.914 0.253 0.000 2.358 1017 V HA -0.265 3.857 4.120 0.003 0.000 0.246 1017 V C 2.320 178.527 176.094 0.189 0.000 1.047 1017 V CA 1.680 64.074 62.300 0.158 0.000 1.035 1017 V CB -0.664 31.180 31.823 0.035 0.000 0.658 1017 V HN 0.248 nan 8.190 nan 0.000 0.452 1018 K N 0.397 120.904 120.400 0.178 0.000 2.002 1018 K HA -0.154 4.168 4.320 0.003 0.000 0.209 1018 K C 2.370 179.065 176.600 0.158 0.000 1.048 1018 K CA 1.570 57.951 56.287 0.156 0.000 0.930 1018 K CB -0.527 32.058 32.500 0.142 0.000 0.714 1018 K HN 0.451 nan 8.250 nan 0.000 0.438 1019 A N 0.900 123.836 122.820 0.193 0.000 1.892 1019 A HA -0.249 4.073 4.320 0.003 0.000 0.218 1019 A C 2.114 179.794 177.584 0.160 0.000 1.188 1019 A CA 1.705 53.853 52.037 0.185 0.000 0.631 1019 A CB -0.974 18.172 19.000 0.243 0.000 0.822 1019 A HN 0.480 nan 8.150 nan 0.000 0.447 1020 Y N 0.556 120.878 120.300 0.037 0.000 2.181 1020 Y HA -0.104 4.448 4.550 0.004 0.000 0.288 1020 Y C 2.626 178.527 175.900 0.001 0.000 1.146 1020 Y CA 1.307 59.340 58.100 -0.111 0.000 1.164 1020 Y CB -0.463 37.917 38.460 -0.132 0.000 0.982 1020 Y HN 0.335 nan 8.280 nan 0.000 0.515 1021 A N -0.796 122.112 122.820 0.147 0.000 1.865 1021 A HA -0.234 4.088 4.320 0.003 0.000 0.217 1021 A C 2.491 180.067 177.584 -0.013 0.000 1.191 1021 A CA 2.096 54.170 52.037 0.063 0.000 0.623 1021 A CB -1.512 17.549 19.000 0.102 0.000 0.826 1021 A HN 0.492 nan 8.150 nan 0.000 0.444 1022 S N -0.299 115.406 115.700 0.009 0.000 2.359 1022 S HA -0.197 4.275 4.470 0.003 0.000 0.222 1022 S C 1.693 176.251 174.600 -0.069 0.000 1.038 1022 S CA 1.717 59.912 58.200 -0.009 0.000 1.051 1022 S CB -0.567 62.648 63.200 0.024 0.000 0.944 1022 S HN 0.603 nan 8.310 nan 0.000 0.433 1023 D N 0.033 120.364 120.400 -0.115 0.000 2.221 1023 D HA -0.080 4.562 4.640 0.003 0.000 0.204 1023 D C 1.188 177.238 176.300 -0.417 0.000 0.982 1023 D CA 1.005 54.870 54.000 -0.224 0.000 0.857 1023 D CB -0.301 40.381 40.800 -0.197 0.000 0.934 1023 D HN 0.552 nan 8.370 nan 0.000 0.475 1024 H N -0.470 118.424 119.070 -0.294 0.000 2.549 1024 H HA 0.111 4.668 4.556 0.003 0.000 0.279 1024 H C 0.179 175.407 175.328 -0.166 0.000 1.018 1024 H CA -0.138 55.733 56.048 -0.294 0.000 1.175 1024 H CB 0.180 29.626 29.762 -0.528 0.000 1.485 1024 H HN 0.012 nan 8.280 nan 0.000 0.543 1025 N N 0.703 119.372 118.700 -0.051 0.000 2.727 1025 N HA -0.186 4.556 4.740 0.003 0.000 0.249 1025 N C -1.254 174.253 175.510 -0.006 0.000 1.048 1025 N CA 0.024 53.059 53.050 -0.024 0.000 0.714 1025 N CB -0.885 37.589 38.487 -0.023 0.000 0.959 1025 N HN 0.065 nan 8.380 nan 0.000 0.544 1026 L N 0.947 122.169 121.223 -0.001 0.000 2.307 1026 L HA 0.340 4.682 4.340 0.003 0.000 0.282 1026 L C 0.476 177.357 176.870 0.019 0.000 1.051 1026 L CA -0.188 54.658 54.840 0.011 0.000 0.804 1026 L CB 1.337 43.407 42.059 0.019 0.000 1.197 1026 L HN 0.117 nan 8.230 nan 0.000 0.431 1027 E N 5.407 125.618 120.200 0.018 0.000 2.046 1027 E HA 0.389 4.741 4.350 0.003 0.000 0.279 1027 E C -0.909 175.707 176.600 0.027 0.000 0.989 1027 E CA -0.289 56.124 56.400 0.021 0.000 0.798 1027 E CB 1.334 31.043 29.700 0.016 0.000 1.086 1027 E HN 0.430 nan 8.360 nan 0.000 0.399 1028 L N 2.329 123.573 121.223 0.035 0.000 2.330 1028 L HA 0.508 4.850 4.340 0.003 0.000 0.271 1028 L C 0.660 177.554 176.870 0.040 0.000 1.013 1028 L CA -1.088 53.776 54.840 0.039 0.000 0.816 1028 L CB 1.617 43.706 42.059 0.050 0.000 1.287 1028 L HN 0.250 nan 8.230 nan 0.000 0.435 1029 R N 0.339 120.863 120.500 0.040 0.000 2.539 1029 R HA 0.169 4.511 4.340 0.003 0.000 0.275 1029 R C 1.219 177.554 176.300 0.058 0.000 1.077 1029 R CA 0.244 56.369 56.100 0.040 0.000 1.097 1029 R CB 0.695 31.018 30.300 0.038 0.000 1.018 1029 R HN 0.895 nan 8.270 nan 0.000 0.483 1030 G N 1.645 110.477 108.800 0.053 0.000 2.599 1030 G HA2 -0.413 3.549 3.960 0.003 0.000 0.219 1030 G HA3 -0.413 3.549 3.960 0.003 0.000 0.219 1030 G C 1.427 176.398 174.900 0.119 0.000 1.193 1030 G CA 1.268 46.414 45.100 0.078 0.000 0.778 1030 G HN 0.710 nan 8.290 nan 0.000 0.589 1031 A N 0.780 123.665 122.820 0.107 0.000 1.903 1031 A HA -0.174 4.147 4.320 0.003 0.000 0.219 1031 A C 2.234 179.955 177.584 0.228 0.000 1.191 1031 A CA 2.576 54.718 52.037 0.176 0.000 0.638 1031 A CB -0.515 18.553 19.000 0.114 0.000 0.823 1031 A HN 0.515 nan 8.150 nan 0.000 0.451 1032 E N -0.115 120.162 120.200 0.128 0.000 2.158 1032 E HA -0.043 4.309 4.350 0.003 0.000 0.191 1032 E C 1.667 178.288 176.600 0.034 0.000 0.982 1032 E CA 1.066 57.509 56.400 0.072 0.000 0.823 1032 E CB -0.394 29.333 29.700 0.046 0.000 0.766 1032 E HN 0.633 nan 8.360 nan 0.000 0.468 1033 I N 1.011 121.617 120.570 0.060 0.000 2.226 1033 I HA -0.249 3.923 4.170 0.003 0.000 0.245 1033 I C 1.744 177.839 176.117 -0.037 0.000 1.100 1033 I CA 1.323 62.646 61.300 0.038 0.000 1.374 1033 I CB -0.301 37.767 38.000 0.113 0.000 1.057 1033 I HN 0.122 nan 8.210 nan 0.000 0.413 1034 D N 0.850 121.297 120.400 0.079 0.000 2.116 1034 D HA -0.225 4.417 4.640 0.003 0.000 0.193 1034 D C 2.225 178.447 176.300 -0.130 0.000 0.998 1034 D CA 1.577 55.626 54.000 0.082 0.000 0.836 1034 D CB -0.218 40.777 40.800 0.325 0.000 0.951 1034 D HN 0.361 nan 8.370 nan 0.000 0.449 1035 R N 0.831 121.210 120.500 -0.202 0.000 2.119 1035 R HA 0.045 4.387 4.340 0.003 0.000 0.222 1035 R C 2.268 178.433 176.300 -0.226 0.000 1.088 1035 R CA 0.775 56.548 56.100 -0.544 0.000 0.984 1035 R CB -1.062 28.617 30.300 -1.035 0.000 0.884 1035 R HN 0.177 nan 8.270 nan 0.000 0.447 1036 L N 0.555 121.722 121.223 -0.093 0.000 2.046 1036 L HA -0.009 4.333 4.340 0.003 0.000 0.208 1036 L C 2.696 179.512 176.870 -0.090 0.000 1.077 1036 L CA 1.354 56.215 54.840 0.034 0.000 0.747 1036 L CB -0.823 41.225 42.059 -0.018 0.000 0.896 1036 L HN 0.422 nan 8.230 nan 0.000 0.432 1037 A N 0.478 123.129 122.820 -0.281 0.000 1.859 1037 A HA -0.286 4.036 4.320 0.003 0.000 0.217 1037 A C 2.567 179.964 177.584 -0.311 0.000 1.198 1037 A CA 2.233 54.007 52.037 -0.438 0.000 0.629 1037 A CB -1.043 17.301 19.000 -1.093 0.000 0.830 1037 A HN 0.406 nan 8.150 nan 0.000 0.446 1038 A N -0.805 121.838 122.820 -0.295 0.000 1.948 1038 A HA 0.008 4.330 4.320 0.003 0.000 0.220 1038 A C 2.350 179.737 177.584 -0.329 0.000 1.177 1038 A CA 2.148 54.043 52.037 -0.237 0.000 0.636 1038 A CB -1.426 17.452 19.000 -0.202 0.000 0.815 1038 A HN 0.980 nan 8.150 nan 0.000 0.449 1039 G N -2.099 106.387 108.800 -0.524 0.000 2.598 1039 G HA2 -0.052 3.910 3.960 0.003 0.000 0.215 1039 G HA3 -0.052 3.910 3.960 0.003 0.000 0.215 1039 G C 1.189 175.706 174.900 -0.638 0.000 1.131 1039 G CA 1.167 45.627 45.100 -1.066 0.000 0.785 1039 G HN 0.548 nan 8.290 nan 0.000 0.539 1040 C N 0.557 119.683 119.300 -0.289 0.000 2.674 1040 C HA 0.216 4.678 4.460 0.003 0.000 0.276 1040 C C 1.823 176.776 174.990 -0.063 0.000 1.300 1040 C CA 0.194 59.154 59.018 -0.096 0.000 1.732 1040 C CB -0.566 27.184 27.740 0.017 0.000 2.076 1040 C HN 0.493 nan 8.230 nan 0.000 0.548 1041 T N -1.137 113.356 114.554 -0.102 0.000 2.900 1041 T HA 0.443 4.795 4.350 0.003 0.000 0.307 1041 T C 1.228 175.901 174.700 -0.045 0.000 1.065 1041 T CA 0.835 62.899 62.100 -0.060 0.000 1.105 1041 T CB 0.954 69.785 68.868 -0.062 0.000 0.979 1041 T HN 1.015 nan 8.240 nan 0.000 0.544 1042 G N 0.727 109.517 108.800 -0.018 0.000 2.232 1042 G HA2 -0.219 3.743 3.960 0.003 0.000 0.226 1042 G HA3 -0.219 3.743 3.960 0.003 0.000 0.226 1042 G C 0.072 174.983 174.900 0.017 0.000 0.996 1042 G CA -0.181 44.914 45.100 -0.008 0.000 0.626 1042 G HN 1.068 nan 8.290 nan 0.000 0.509 1043 V N 2.506 122.440 119.914 0.034 0.000 2.555 1043 V HA 0.357 4.479 4.120 0.003 0.000 0.286 1043 V C 1.079 177.218 176.094 0.076 0.000 1.044 1043 V CA 0.026 62.364 62.300 0.065 0.000 1.026 1043 V CB 1.552 33.426 31.823 0.086 0.000 0.981 1043 V HN 0.485 nan 8.190 nan 0.000 0.480 1044 K N 4.532 124.980 120.400 0.079 0.000 2.416 1044 K HA 0.102 4.424 4.320 0.003 0.000 0.283 1044 K C 0.913 177.571 176.600 0.097 0.000 1.037 1044 K CA -0.024 56.310 56.287 0.079 0.000 0.995 1044 K CB 0.470 33.018 32.500 0.079 0.000 0.938 1044 K HN 0.715 nan 8.250 nan 0.000 0.475 1045 R N 2.288 122.845 120.500 0.096 0.000 2.191 1045 R HA 0.065 4.407 4.340 0.003 0.000 0.196 1045 R C -0.026 176.334 176.300 0.100 0.000 0.991 1045 R CA 1.039 57.207 56.100 0.113 0.000 1.075 1045 R CB 0.415 30.798 30.300 0.139 0.000 1.040 1045 R HN 0.833 nan 8.270 nan 0.000 0.526 1046 T N -2.688 111.916 114.554 0.083 0.000 2.645 1046 T HA 0.442 4.794 4.350 0.003 0.000 0.300 1046 T C -0.546 174.191 174.700 0.062 0.000 1.210 1046 T CA -0.302 61.845 62.100 0.079 0.000 1.034 1046 T CB 1.449 70.360 68.868 0.072 0.000 1.537 1046 T HN 0.173 nan 8.240 nan 0.000 0.492 1047 T N -2.506 112.083 114.554 0.059 0.000 2.907 1047 T HA 0.915 5.266 4.350 0.003 0.000 0.290 1047 T C 0.248 174.972 174.700 0.040 0.000 1.066 1047 T CA -0.218 61.906 62.100 0.040 0.000 1.012 1047 T CB 1.513 70.403 68.868 0.036 0.000 1.184 1047 T HN 1.522 nan 8.240 nan 0.000 0.522 1048 G N -0.370 108.450 108.800 0.035 0.000 2.753 1048 G HA2 0.594 4.556 3.960 0.003 0.000 0.303 1048 G HA3 0.594 4.556 3.960 0.003 0.000 0.303 1048 G C -1.973 172.950 174.900 0.039 0.000 1.242 1048 G CA -0.846 44.274 45.100 0.035 0.000 0.810 1048 G HN 0.804 nan 8.290 nan 0.000 0.515 1049 Q N 0.128 119.948 119.800 0.033 0.000 2.304 1049 Q HA 0.269 4.610 4.340 0.003 0.000 0.270 1049 Q C -0.919 175.109 176.000 0.048 0.000 1.035 1049 Q CA -0.859 54.965 55.803 0.035 0.000 0.781 1049 Q CB 2.275 31.021 28.738 0.014 0.000 1.261 1049 Q HN 0.672 nan 8.270 nan 0.000 0.444 1050 H N 3.713 122.761 119.070 -0.037 0.000 3.092 1050 H HA -0.035 4.523 4.556 0.003 0.000 0.332 1050 H C -1.749 173.552 175.328 -0.044 0.000 1.029 1050 H CA -0.369 55.657 56.048 -0.036 0.000 1.376 1050 H CB 0.976 30.695 29.762 -0.071 0.000 1.329 1050 H HN 0.422 nan 8.280 nan 0.000 0.598 1051 P HA 0.015 nan 4.420 nan 0.000 0.231 1051 P C 0.526 177.911 177.300 0.142 0.000 1.158 1051 P CA 1.608 64.708 63.100 0.001 0.000 0.763 1051 P CB 0.474 32.135 31.700 -0.064 0.000 0.805 1052 G N -2.906 106.084 108.800 0.316 0.000 4.469 1052 G HA2 0.097 4.059 3.960 0.003 0.000 0.183 1052 G HA3 0.097 4.059 3.960 0.003 0.000 0.183 1052 G C 0.419 175.381 174.900 0.104 0.000 0.797 1052 G CA 0.040 45.303 45.100 0.272 0.000 0.770 1052 G HN 0.381 nan 8.290 nan 0.000 0.484 1053 G N 1.102 109.832 108.800 -0.117 0.000 2.380 1053 G HA2 0.499 4.461 3.960 0.003 0.000 0.262 1053 G HA3 0.499 4.461 3.960 0.003 0.000 0.262 1053 G C -0.255 174.336 174.900 -0.515 0.000 1.243 1053 G CA -0.072 44.714 45.100 -0.523 0.000 0.865 1053 G HN 0.146 nan 8.290 nan 0.000 0.513 1054 I N 3.337 123.669 120.570 -0.397 0.000 2.404 1054 I HA 0.295 4.467 4.170 0.003 0.000 0.293 1054 I C -0.222 175.721 176.117 -0.289 0.000 0.992 1054 I CA -0.897 60.172 61.300 -0.384 0.000 1.149 1054 I CB 1.710 39.516 38.000 -0.323 0.000 1.315 1054 I HN 0.198 nan 8.210 nan 0.000 0.446 1055 I N 6.667 127.099 120.570 -0.229 0.000 2.331 1055 I HA 0.246 4.418 4.170 0.003 0.000 0.292 1055 I C 0.209 176.203 176.117 -0.205 0.000 0.998 1055 I CA -0.713 60.477 61.300 -0.183 0.000 1.267 1055 I CB 1.586 39.531 38.000 -0.092 0.000 1.386 1055 I HN 0.257 nan 8.210 nan 0.000 0.476 1056 V N 7.316 127.046 119.914 -0.307 0.000 2.394 1056 V HA 0.513 4.635 4.120 0.003 0.000 0.282 1056 V C -0.291 175.592 176.094 -0.353 0.000 1.031 1056 V CA -0.405 61.611 62.300 -0.474 0.000 0.881 1056 V CB 1.691 33.018 31.823 -0.827 0.000 0.982 1056 V HN 0.391 nan 8.190 nan 0.000 0.451 1057 V N 8.615 128.371 119.914 -0.264 0.000 2.385 1057 V HA 0.382 4.503 4.120 0.003 0.000 0.269 1057 V C -1.963 174.027 176.094 -0.172 0.000 1.043 1057 V CA -1.593 60.596 62.300 -0.186 0.000 0.906 1057 V CB 1.070 32.867 31.823 -0.043 0.000 0.995 1057 V HN 0.883 nan 8.190 nan 0.000 0.467 1058 P HA 0.038 nan 4.420 nan 0.000 0.266 1058 P C 0.348 177.527 177.300 -0.200 0.000 1.195 1058 P CA -0.057 62.912 63.100 -0.218 0.000 0.768 1058 P CB 0.496 31.886 31.700 -0.516 0.000 0.838 1059 D N 1.367 121.759 120.400 -0.012 0.000 2.350 1059 D HA -0.197 4.445 4.640 0.003 0.000 0.216 1059 D C 1.014 177.362 176.300 0.080 0.000 0.968 1059 D CA 1.358 55.393 54.000 0.059 0.000 0.894 1059 D CB -0.955 39.926 40.800 0.135 0.000 0.909 1059 D HN 0.580 nan 8.370 nan 0.000 0.520 1060 Y N -1.704 118.654 120.300 0.097 0.000 2.457 1060 Y HA 0.417 4.969 4.550 0.003 0.000 0.263 1060 Y C 0.766 176.718 175.900 0.088 0.000 1.164 1060 Y CA -0.841 57.313 58.100 0.091 0.000 1.274 1060 Y CB -0.137 38.383 38.460 0.099 0.000 1.097 1060 Y HN -0.199 nan 8.280 nan 0.000 0.523 1061 M N 1.185 120.629 119.600 -0.261 0.000 2.739 1061 M HA 0.436 4.918 4.480 0.003 0.000 0.284 1061 M C -0.604 175.661 176.300 -0.059 0.000 1.103 1061 M CA -0.763 54.452 55.300 -0.143 0.000 0.809 1061 M CB 1.772 34.269 32.600 -0.172 0.000 1.708 1061 M HN 0.297 nan 8.290 nan 0.000 0.481 1062 E N -0.604 119.572 120.200 -0.040 0.000 2.413 1062 E HA 0.381 4.733 4.350 0.003 0.000 0.277 1062 E C 0.104 176.669 176.600 -0.059 0.000 0.958 1062 E CA -0.756 55.624 56.400 -0.033 0.000 0.779 1062 E CB 1.931 31.640 29.700 0.015 0.000 1.278 1062 E HN 0.354 nan 8.360 nan 0.000 0.456 1063 I N 0.889 121.323 120.570 -0.227 0.000 2.248 1063 I HA -0.273 3.899 4.170 0.003 0.000 0.248 1063 I C 1.223 177.161 176.117 -0.299 0.000 1.107 1063 I CA 1.602 62.698 61.300 -0.339 0.000 1.373 1063 I CB -0.454 37.049 38.000 -0.829 0.000 1.055 1063 I HN 0.596 nan 8.210 nan 0.000 0.418 1064 Y N 0.131 120.411 120.300 -0.034 0.000 2.639 1064 Y HA -0.095 4.457 4.550 0.003 0.000 0.297 1064 Y C 2.101 177.972 175.900 -0.049 0.000 1.151 1064 Y CA 0.587 58.696 58.100 0.015 0.000 1.335 1064 Y CB -1.057 37.399 38.460 -0.007 0.000 0.994 1064 Y HN 0.240 nan 8.280 nan 0.000 0.548 1065 D N -0.946 119.333 120.400 -0.203 0.000 2.347 1065 D HA -0.054 4.588 4.640 0.003 0.000 0.215 1065 D C 0.964 176.818 176.300 -0.743 0.000 0.976 1065 D CA 1.114 54.745 54.000 -0.615 0.000 0.884 1065 D CB 0.009 40.171 40.800 -1.063 0.000 0.915 1065 D HN 0.372 nan 8.370 nan 0.000 0.526 1066 F N -0.760 119.251 119.950 0.101 0.000 2.581 1066 F HA 0.173 4.701 4.527 0.003 0.000 0.278 1066 F C 1.017 176.951 175.800 0.224 0.000 1.000 1066 F CA -0.088 58.000 58.000 0.147 0.000 1.230 1066 F CB 0.657 39.654 39.000 -0.003 0.000 1.008 1066 F HN -0.306 nan 8.300 nan 0.000 0.695 1067 T N -0.063 114.537 114.554 0.078 0.000 2.886 1067 T HA 0.439 4.791 4.350 0.003 0.000 0.330 1067 T C -3.061 171.229 174.700 -0.684 0.000 1.488 1067 T CA -1.773 59.917 62.100 -0.683 0.000 1.054 1067 T CB 1.673 70.257 68.868 -0.473 0.000 1.348 1067 T HN -0.363 nan 8.240 nan 0.000 0.489 1068 P HA 0.531 nan 4.420 nan 0.000 0.275 1068 P C -0.659 176.378 177.300 -0.438 0.000 1.266 1068 P CA -0.493 62.277 63.100 -0.551 0.000 0.793 1068 P CB 0.331 31.559 31.700 -0.786 0.000 1.074 1069 I N -2.643 117.746 120.570 -0.302 0.000 3.108 1069 I HA 0.752 4.924 4.170 0.003 0.000 0.312 1069 I C -0.489 175.493 176.117 -0.226 0.000 1.095 1069 I CA -1.101 60.037 61.300 -0.270 0.000 1.000 1069 I CB 2.175 39.995 38.000 -0.299 0.000 1.229 1069 I HN 0.490 nan 8.210 nan 0.000 0.454 1070 Q N 0.975 120.663 119.800 -0.187 0.000 2.765 1070 Q HA 0.450 4.792 4.340 0.003 0.000 0.343 1070 Q C -2.063 173.820 176.000 -0.194 0.000 0.744 1070 Q CA -0.953 54.733 55.803 -0.195 0.000 0.882 1070 Q CB 1.129 29.773 28.738 -0.157 0.000 1.276 1070 Q HN 0.615 nan 8.270 nan 0.000 0.508 1071 Y N 0.621 120.932 120.300 0.017 0.000 2.446 1071 Y HA 0.549 5.101 4.550 0.003 0.000 0.338 1071 Y C -2.327 173.568 175.900 -0.008 0.000 1.055 1071 Y CA -2.570 55.531 58.100 0.000 0.000 1.101 1071 Y CB 1.417 39.845 38.460 -0.053 0.000 1.221 1071 Y HN 0.403 nan 8.280 nan 0.000 0.460 1072 P HA 0.103 nan 4.420 nan 0.000 0.271 1072 P C 0.119 177.458 177.300 0.064 0.000 1.220 1072 P CA 0.822 63.983 63.100 0.100 0.000 0.768 1072 P CB 1.066 32.818 31.700 0.087 0.000 0.848 1073 A N 3.560 126.410 122.820 0.049 0.000 2.869 1073 A HA -0.260 4.062 4.320 0.003 0.000 0.272 1073 A C 0.811 178.377 177.584 -0.029 0.000 1.332 1073 A CA 1.500 53.553 52.037 0.028 0.000 0.939 1073 A CB -2.549 16.465 19.000 0.023 0.000 1.018 1073 A HN 0.593 nan 8.150 nan 0.000 0.696 1074 D N -1.560 118.812 120.400 -0.048 0.000 2.981 1074 D HA -0.162 4.480 4.640 0.003 0.000 0.223 1074 D C -0.295 175.838 176.300 -0.279 0.000 1.151 1074 D CA 1.721 55.558 54.000 -0.271 0.000 0.827 1074 D CB -1.404 39.030 40.800 -0.610 0.000 1.101 1074 D HN 0.923 nan 8.370 nan 0.000 0.426 1075 D N 0.704 121.009 120.400 -0.158 0.000 2.336 1075 D HA 0.124 4.766 4.640 0.003 0.000 0.249 1075 D C 1.471 177.457 176.300 -0.523 0.000 1.213 1075 D CA 0.422 54.283 54.000 -0.233 0.000 0.870 1075 D CB 0.770 41.478 40.800 -0.152 0.000 1.076 1075 D HN 0.160 nan 8.370 nan 0.000 0.483 1076 T N -0.207 114.049 114.554 -0.496 0.000 3.072 1076 T HA -0.121 4.231 4.350 0.003 0.000 0.266 1076 T C 1.571 175.849 174.700 -0.704 0.000 1.127 1076 T CA 0.856 62.505 62.100 -0.752 0.000 1.107 1076 T CB -0.123 68.620 68.868 -0.209 0.000 0.910 1076 T HN 0.279 nan 8.240 nan 0.000 0.513 1077 S N 0.617 116.053 115.700 -0.439 0.000 2.575 1077 S HA 0.226 4.697 4.470 0.003 0.000 0.215 1077 S C 0.947 175.390 174.600 -0.262 0.000 0.966 1077 S CA -0.261 57.771 58.200 -0.279 0.000 0.911 1077 S CB -0.395 62.709 63.200 -0.160 0.000 0.780 1077 S HN 0.453 nan 8.310 nan 0.000 0.514 1078 S N 1.039 116.519 115.700 -0.367 0.000 2.558 1078 S HA 0.068 4.540 4.470 0.003 0.000 0.288 1078 S C 0.990 175.545 174.600 -0.076 0.000 1.318 1078 S CA -0.127 57.972 58.200 -0.168 0.000 1.056 1078 S CB 0.721 63.860 63.200 -0.101 0.000 0.853 1078 S HN 0.623 nan 8.310 nan 0.000 0.505 1079 E N 2.496 122.703 120.200 0.012 0.000 2.216 1079 E HA 0.032 4.384 4.350 0.003 0.000 0.192 1079 E C -0.607 175.907 176.600 -0.145 0.000 0.988 1079 E CA 0.507 56.874 56.400 -0.055 0.000 0.834 1079 E CB 0.239 29.934 29.700 -0.007 0.000 0.772 1079 E HN 0.728 nan 8.360 nan 0.000 0.479 1080 W N 0.442 121.762 121.300 0.032 0.000 2.606 1080 W HA 0.395 5.057 4.660 0.003 0.000 0.332 1080 W C -0.226 176.381 176.519 0.146 0.000 1.052 1080 W CA -0.787 56.581 57.345 0.039 0.000 1.223 1080 W CB 1.133 30.580 29.460 -0.021 0.000 1.383 1080 W HN -0.266 nan 8.180 nan 0.000 0.524 1081 R N 1.192 121.912 120.500 0.367 0.000 2.410 1081 R HA 0.500 4.842 4.340 0.003 0.000 0.288 1081 R C 0.243 176.739 176.300 0.328 0.000 1.051 1081 R CA -0.350 55.922 56.100 0.287 0.000 1.021 1081 R CB 0.876 31.288 30.300 0.187 0.000 1.032 1081 R HN 0.460 nan 8.270 nan 0.000 0.481 1082 T N -1.798 112.868 114.554 0.185 0.000 2.940 1082 T HA 0.319 4.671 4.350 0.003 0.000 0.288 1082 T C 0.326 175.039 174.700 0.021 0.000 1.033 1082 T CA -1.046 61.127 62.100 0.121 0.000 1.033 1082 T CB 1.608 70.523 68.868 0.079 0.000 1.079 1082 T HN 0.607 nan 8.240 nan 0.000 0.496 1083 T N -0.998 113.550 114.554 -0.010 0.000 2.919 1083 T HA 0.166 4.518 4.350 0.003 0.000 0.302 1083 T C 0.886 175.528 174.700 -0.096 0.000 1.031 1083 T CA -0.180 61.856 62.100 -0.106 0.000 1.127 1083 T CB 0.651 69.478 68.868 -0.068 0.000 0.952 1083 T HN 0.822 nan 8.240 nan 0.000 0.540 1084 H N 1.908 120.777 119.070 -0.334 0.000 2.363 1084 H HA 0.250 4.808 4.556 0.003 0.000 0.301 1084 H C 0.126 175.342 175.328 -0.188 0.000 1.074 1084 H CA 0.509 56.334 56.048 -0.372 0.000 1.354 1084 H CB -0.097 29.288 29.762 -0.628 0.000 1.397 1084 H HN 0.655 nan 8.280 nan 0.000 0.516 1085 F N 1.644 121.493 119.950 -0.170 0.000 2.389 1085 F HA 0.125 4.654 4.527 0.003 0.000 0.337 1085 F C 0.772 176.537 175.800 -0.058 0.000 1.112 1085 F CA -1.096 56.822 58.000 -0.137 0.000 1.192 1085 F CB 0.634 39.583 39.000 -0.085 0.000 1.185 1085 F HN 0.320 nan 8.300 nan 0.000 0.552 1086 D N 1.289 121.803 120.400 0.190 0.000 2.398 1086 D HA -0.048 4.594 4.640 0.003 0.000 0.247 1086 D C 0.736 177.182 176.300 0.244 0.000 1.227 1086 D CA -0.416 53.699 54.000 0.191 0.000 0.980 1086 D CB 0.281 41.185 40.800 0.173 0.000 1.106 1086 D HN 0.439 nan 8.370 nan 0.000 0.493 1087 F N -0.186 119.848 119.950 0.140 0.000 2.134 1087 F HA -0.226 4.303 4.527 0.003 0.000 0.299 1087 F C 2.174 178.071 175.800 0.161 0.000 1.097 1087 F CA 1.740 59.804 58.000 0.107 0.000 1.264 1087 F CB -0.463 38.593 39.000 0.093 0.000 1.001 1087 F HN 0.559 nan 8.300 nan 0.000 0.479 1088 H N -0.160 118.901 119.070 -0.016 0.000 2.353 1088 H HA -0.138 4.420 4.556 0.003 0.000 0.298 1088 H C 2.058 177.294 175.328 -0.153 0.000 1.103 1088 H CA 1.876 57.839 56.048 -0.141 0.000 1.293 1088 H CB -0.266 29.492 29.762 -0.006 0.000 1.372 1088 H HN 0.308 nan 8.280 nan 0.000 0.501 1089 S N 0.469 116.184 115.700 0.026 0.000 2.447 1089 S HA -0.059 4.413 4.470 0.003 0.000 0.233 1089 S C 1.901 176.444 174.600 -0.095 0.000 1.006 1089 S CA 1.178 59.349 58.200 -0.049 0.000 0.957 1089 S CB -0.066 63.049 63.200 -0.141 0.000 0.773 1089 S HN 0.675 nan 8.310 nan 0.000 0.507 1090 I N -2.567 117.937 120.570 -0.109 0.000 4.050 1090 I HA 0.344 4.515 4.170 0.003 0.000 0.327 1090 I C 1.496 177.496 176.117 -0.195 0.000 1.473 1090 I CA -0.347 60.920 61.300 -0.055 0.000 1.124 1090 I CB -0.354 37.690 38.000 0.073 0.000 1.129 1090 I HN 0.063 nan 8.210 nan 0.000 0.428 1091 H N 2.818 121.539 119.070 -0.581 0.000 2.368 1091 H HA -0.246 4.311 4.556 0.003 0.000 0.292 1091 H C 0.687 175.850 175.328 -0.275 0.000 1.117 1091 H CA 2.550 58.143 56.048 -0.758 0.000 1.231 1091 H CB 0.207 29.514 29.762 -0.759 0.000 1.359 1091 H HN 0.451 nan 8.280 nan 0.000 0.490 1092 D N -0.606 119.788 120.400 -0.009 0.000 2.339 1092 D HA 0.004 4.646 4.640 0.003 0.000 0.217 1092 D C 1.113 177.451 176.300 0.065 0.000 1.050 1092 D CA 0.081 54.121 54.000 0.066 0.000 0.856 1092 D CB 0.074 40.920 40.800 0.077 0.000 0.922 1092 D HN 0.463 nan 8.370 nan 0.000 0.518 1093 N N -0.414 118.304 118.700 0.030 0.000 2.397 1093 N HA 0.141 4.883 4.740 0.003 0.000 0.190 1093 N C 0.218 175.665 175.510 -0.105 0.000 1.099 1093 N CA 0.200 53.300 53.050 0.082 0.000 0.876 1093 N CB 1.808 40.380 38.487 0.142 0.000 1.143 1093 N HN 0.120 nan 8.380 nan 0.000 0.468 1094 L N 1.134 122.250 121.223 -0.180 0.000 2.445 1094 L HA 0.448 4.790 4.340 0.003 0.000 0.262 1094 L C -0.639 176.147 176.870 -0.141 0.000 0.974 1094 L CA -0.645 54.047 54.840 -0.247 0.000 0.822 1094 L CB 2.839 44.660 42.059 -0.397 0.000 1.339 1094 L HN -0.198 nan 8.230 nan 0.000 0.409 1095 L N 2.298 123.414 121.223 -0.179 0.000 2.439 1095 L HA 0.357 4.699 4.340 0.003 0.000 0.269 1095 L C 0.058 176.844 176.870 -0.141 0.000 1.179 1095 L CA 0.008 54.751 54.840 -0.162 0.000 0.828 1095 L CB 0.810 42.725 42.059 -0.240 0.000 1.106 1095 L HN 0.530 nan 8.230 nan 0.000 0.467 1096 K N 3.008 123.334 120.400 -0.124 0.000 2.324 1096 K HA 0.535 4.856 4.320 0.003 0.000 0.253 1096 K C -1.414 175.095 176.600 -0.151 0.000 0.932 1096 K CA -0.675 55.475 56.287 -0.228 0.000 0.799 1096 K CB 1.424 33.616 32.500 -0.513 0.000 1.154 1096 K HN 0.480 nan 8.250 nan 0.000 0.425 1097 L N 3.733 124.874 121.223 -0.137 0.000 2.262 1097 L HA 0.232 4.574 4.340 0.003 0.000 0.288 1097 L C -0.458 176.382 176.870 -0.050 0.000 1.035 1097 L CA -0.715 54.108 54.840 -0.029 0.000 0.820 1097 L CB 1.251 43.337 42.059 0.044 0.000 1.204 1097 L HN 0.556 nan 8.230 nan 0.000 0.424 1098 D N 4.728 125.123 120.400 -0.008 0.000 2.508 1098 D HA 0.217 4.858 4.640 0.003 0.000 0.224 1098 D C 0.252 176.640 176.300 0.147 0.000 1.171 1098 D CA 0.152 54.171 54.000 0.032 0.000 1.006 1098 D CB 0.366 41.195 40.800 0.048 0.000 1.073 1098 D HN 0.319 nan 8.370 nan 0.000 0.513 1099 I N 4.066 124.748 120.570 0.187 0.000 2.293 1099 I HA 0.077 4.248 4.170 0.003 0.000 0.299 1099 I C 0.469 176.724 176.117 0.230 0.000 1.153 1099 I CA -0.119 61.343 61.300 0.271 0.000 1.302 1099 I CB 0.102 38.203 38.000 0.168 0.000 1.460 1099 I HN 0.033 nan 8.210 nan 0.000 0.552 1100 L N 4.445 125.841 121.223 0.288 0.000 2.387 1100 L HA 0.693 5.035 4.340 0.003 0.000 0.266 1100 L C 0.776 177.775 176.870 0.215 0.000 1.059 1100 L CA -0.738 54.230 54.840 0.213 0.000 0.801 1100 L CB 1.328 43.504 42.059 0.195 0.000 1.223 1100 L HN 0.467 nan 8.230 nan 0.000 0.456 1101 G N -1.101 107.795 108.800 0.160 0.000 2.388 1101 G HA2 0.563 4.525 3.960 0.003 0.000 0.330 1101 G HA3 0.563 4.525 3.960 0.003 0.000 0.330 1101 G C -1.767 173.249 174.900 0.192 0.000 1.142 1101 G CA -0.062 45.127 45.100 0.148 0.000 0.908 1101 G HN 0.707 nan 8.290 nan 0.000 0.473 1102 H N 0.050 119.153 119.070 0.055 0.000 3.064 1102 H HA 0.298 4.856 4.556 0.003 0.000 0.352 1102 H C -0.204 175.126 175.328 0.003 0.000 1.260 1102 H CA -0.588 55.475 56.048 0.024 0.000 1.160 1102 H CB 2.216 31.983 29.762 0.009 0.000 1.879 1102 H HN 0.368 nan 8.280 nan 0.000 0.544 1103 D N 1.594 121.874 120.400 -0.200 0.000 2.249 1103 D HA -0.070 4.571 4.640 0.003 0.000 0.205 1103 D C 0.905 177.238 176.300 0.055 0.000 0.962 1103 D CA 0.610 54.564 54.000 -0.076 0.000 0.860 1103 D CB 0.217 40.910 40.800 -0.178 0.000 0.955 1103 D HN 0.545 nan 8.370 nan 0.000 0.505 1104 D N 0.423 120.993 120.400 0.283 0.000 2.116 1104 D HA -0.120 4.522 4.640 0.003 0.000 0.193 1104 D C -0.790 175.543 176.300 0.057 0.000 0.998 1104 D CA 1.125 55.219 54.000 0.155 0.000 0.836 1104 D CB -1.226 39.621 40.800 0.077 0.000 0.951 1104 D HN 0.235 nan 8.370 nan 0.000 0.449 1105 P HA -0.056 nan 4.420 nan 0.000 0.216 1105 P C 1.356 178.681 177.300 0.042 0.000 1.153 1105 P CA 1.682 64.797 63.100 0.026 0.000 0.848 1105 P CB -0.045 31.675 31.700 0.035 0.000 0.787 1106 T N -0.583 114.016 114.554 0.075 0.000 2.684 1106 T HA -0.127 4.225 4.350 0.003 0.000 0.267 1106 T C 1.874 176.570 174.700 -0.006 0.000 1.036 1106 T CA 1.351 63.493 62.100 0.070 0.000 1.148 1106 T CB -1.203 67.712 68.868 0.079 0.000 0.863 1106 T HN -0.128 nan 8.240 nan 0.000 0.436 1107 V N 2.007 121.903 119.914 -0.031 0.000 2.255 1107 V HA -0.155 3.967 4.120 0.003 0.000 0.247 1107 V C 2.421 178.438 176.094 -0.127 0.000 1.051 1107 V CA 1.984 64.234 62.300 -0.083 0.000 1.018 1107 V CB -0.651 31.125 31.823 -0.078 0.000 0.641 1107 V HN 0.610 nan 8.190 nan 0.000 0.445 1108 I N -0.251 120.260 120.570 -0.098 0.000 2.546 1108 I HA -0.193 3.979 4.170 0.003 0.000 0.255 1108 I C 2.534 178.558 176.117 -0.155 0.000 1.163 1108 I CA 1.730 62.938 61.300 -0.152 0.000 1.457 1108 I CB -0.348 37.616 38.000 -0.059 0.000 1.092 1108 I HN 0.187 nan 8.210 nan 0.000 0.434 1109 R N 0.955 121.394 120.500 -0.102 0.000 2.091 1109 R HA -0.232 4.110 4.340 0.003 0.000 0.238 1109 R C 2.403 178.623 176.300 -0.133 0.000 1.136 1109 R CA 2.424 58.458 56.100 -0.111 0.000 0.959 1109 R CB -0.434 29.804 30.300 -0.103 0.000 0.856 1109 R HN 0.551 nan 8.270 nan 0.000 0.437 1110 M N 0.047 119.570 119.600 -0.129 0.000 2.132 1110 M HA -0.132 4.350 4.480 0.003 0.000 0.263 1110 M C 1.530 177.723 176.300 -0.179 0.000 1.065 1110 M CA 1.258 56.484 55.300 -0.122 0.000 1.122 1110 M CB 0.032 32.580 32.600 -0.088 0.000 1.365 1110 M HN 0.217 nan 8.290 nan 0.000 0.411 1111 L N 0.877 121.914 121.223 -0.310 0.000 2.013 1111 L HA -0.270 4.071 4.340 0.003 0.000 0.212 1111 L C 2.535 179.197 176.870 -0.346 0.000 1.073 1111 L CA 2.142 56.640 54.840 -0.570 0.000 0.753 1111 L CB -1.748 39.520 42.059 -1.319 0.000 0.890 1111 L HN 0.574 nan 8.230 nan 0.000 0.432 1112 Q N -0.487 119.183 119.800 -0.217 0.000 2.050 1112 Q HA -0.204 4.138 4.340 0.003 0.000 0.202 1112 Q C 1.372 177.346 176.000 -0.043 0.000 0.980 1112 Q CA 1.753 57.528 55.803 -0.047 0.000 0.840 1112 Q CB 0.089 28.808 28.738 -0.032 0.000 0.898 1112 Q HN 0.439 nan 8.270 nan 0.000 0.424 1113 D N 0.113 120.468 120.400 -0.075 0.000 2.378 1113 D HA -0.060 4.582 4.640 0.003 0.000 0.222 1113 D C 1.446 177.723 176.300 -0.039 0.000 0.980 1113 D CA 0.644 54.609 54.000 -0.059 0.000 0.907 1113 D CB 0.219 40.974 40.800 -0.075 0.000 0.899 1113 D HN 0.355 nan 8.370 nan 0.000 0.527 1114 L N -0.088 121.112 121.223 -0.040 0.000 2.470 1114 L HA 0.025 4.367 4.340 0.003 0.000 0.219 1114 L C 2.006 178.873 176.870 -0.005 0.000 1.071 1114 L CA 0.486 55.314 54.840 -0.020 0.000 0.850 1114 L CB 0.207 42.253 42.059 -0.023 0.000 1.040 1114 L HN -0.005 nan 8.230 nan 0.000 0.475 1115 S N -1.676 114.027 115.700 0.005 0.000 2.505 1115 S HA 0.177 4.649 4.470 0.003 0.000 0.216 1115 S C 1.516 176.115 174.600 -0.002 0.000 1.018 1115 S CA 0.502 58.696 58.200 -0.009 0.000 0.911 1115 S CB 0.905 64.119 63.200 0.023 0.000 0.818 1115 S HN 0.388 nan 8.310 nan 0.000 0.497 1116 G N 1.366 110.173 108.800 0.013 0.000 2.148 1116 G HA2 -0.232 3.730 3.960 0.003 0.000 0.254 1116 G HA3 -0.232 3.730 3.960 0.003 0.000 0.254 1116 G C -0.045 174.866 174.900 0.018 0.000 0.981 1116 G CA 0.427 45.532 45.100 0.008 0.000 0.670 1116 G HN 0.602 nan 8.290 nan 0.000 0.528 1117 I N 0.931 121.534 120.570 0.054 0.000 2.353 1117 I HA 0.266 4.438 4.170 0.003 0.000 0.293 1117 I C -0.082 176.071 176.117 0.060 0.000 0.992 1117 I CA -0.782 60.550 61.300 0.053 0.000 1.268 1117 I CB 1.376 39.410 38.000 0.057 0.000 1.387 1117 I HN 0.033 nan 8.210 nan 0.000 0.478 1118 D N 8.991 129.393 120.400 0.003 0.000 2.352 1118 D HA 0.161 4.803 4.640 0.003 0.000 0.245 1118 D C -1.756 174.528 176.300 -0.027 0.000 1.224 1118 D CA -2.210 51.785 54.000 -0.009 0.000 0.879 1118 D CB 1.499 42.281 40.800 -0.029 0.000 1.057 1118 D HN 0.164 nan 8.370 nan 0.000 0.491 1119 P HA -0.156 nan 4.420 nan 0.000 0.217 1119 P C 0.870 178.138 177.300 -0.054 0.000 1.148 1119 P CA 1.332 64.443 63.100 0.019 0.000 0.828 1119 P CB 0.211 31.952 31.700 0.070 0.000 0.783 1120 K N -1.036 119.334 120.400 -0.051 0.000 2.360 1120 K HA -0.069 4.253 4.320 0.003 0.000 0.201 1120 K C 1.685 178.219 176.600 -0.111 0.000 1.046 1120 K CA 1.702 57.947 56.287 -0.070 0.000 0.945 1120 K CB -0.711 31.760 32.500 -0.049 0.000 0.750 1120 K HN 0.340 nan 8.250 nan 0.000 0.464 1121 T N -1.395 113.083 114.554 -0.127 0.000 3.107 1121 T HA 0.164 4.516 4.350 0.003 0.000 0.249 1121 T C 0.782 175.348 174.700 -0.224 0.000 1.096 1121 T CA -0.229 61.781 62.100 -0.150 0.000 1.012 1121 T CB -0.214 68.580 68.868 -0.123 0.000 0.977 1121 T HN -0.039 nan 8.240 nan 0.000 0.527 1122 I N 3.330 123.727 120.570 -0.290 0.000 2.556 1122 I HA 0.251 4.423 4.170 0.003 0.000 0.284 1122 I C -2.073 173.880 176.117 -0.274 0.000 1.114 1122 I CA -2.287 58.756 61.300 -0.429 0.000 1.418 1122 I CB 0.687 38.373 38.000 -0.523 0.000 1.394 1122 I HN 0.078 nan 8.210 nan 0.000 0.552 1123 P HA 0.107 nan 4.420 nan 0.000 0.275 1123 P C 0.337 177.587 177.300 -0.083 0.000 1.228 1123 P CA -0.332 62.689 63.100 -0.131 0.000 0.786 1123 P CB 0.592 32.266 31.700 -0.044 0.000 0.927 1124 T N -3.009 111.462 114.554 -0.138 0.000 3.186 1124 T HA 0.114 4.466 4.350 0.003 0.000 0.257 1124 T C 0.217 174.962 174.700 0.075 0.000 1.029 1124 T CA -0.071 62.011 62.100 -0.029 0.000 0.916 1124 T CB -0.625 68.101 68.868 -0.236 0.000 1.041 1124 T HN 0.438 nan 8.240 nan 0.000 0.562 1125 D N -0.944 119.485 120.400 0.048 0.000 2.712 1125 D HA 0.079 4.720 4.640 0.003 0.000 0.300 1125 D C -0.494 175.849 176.300 0.072 0.000 1.521 1125 D CA -0.527 53.517 54.000 0.073 0.000 0.790 1125 D CB -0.481 40.355 40.800 0.059 0.000 1.155 1125 D HN 0.198 nan 8.370 nan 0.000 0.456 1126 D N 2.613 123.069 120.400 0.093 0.000 2.363 1126 D HA 0.022 4.664 4.640 0.003 0.000 0.263 1126 D C -1.042 175.312 176.300 0.090 0.000 1.258 1126 D CA -1.439 52.628 54.000 0.111 0.000 0.907 1126 D CB 1.780 42.694 40.800 0.191 0.000 1.107 1126 D HN 0.010 nan 8.370 nan 0.000 0.495 1127 P HA -0.139 nan 4.420 nan 0.000 0.216 1127 P C 0.818 178.133 177.300 0.026 0.000 1.150 1127 P CA 0.860 63.986 63.100 0.045 0.000 0.837 1127 P CB 0.509 32.228 31.700 0.032 0.000 0.786 1128 D N -0.490 119.917 120.400 0.012 0.000 2.144 1128 D HA -0.072 4.569 4.640 0.003 0.000 0.200 1128 D C 2.118 178.364 176.300 -0.090 0.000 0.978 1128 D CA 0.874 54.842 54.000 -0.053 0.000 0.833 1128 D CB -0.272 40.474 40.800 -0.090 0.000 0.961 1128 D HN -0.002 nan 8.370 nan 0.000 0.470 1129 V N 1.565 121.455 119.914 -0.041 0.000 2.270 1129 V HA -0.230 3.892 4.120 0.003 0.000 0.245 1129 V C 2.491 178.619 176.094 0.057 0.000 1.043 1129 V CA 1.186 63.469 62.300 -0.027 0.000 1.014 1129 V CB -0.359 31.522 31.823 0.095 0.000 0.645 1129 V HN 0.199 nan 8.190 nan 0.000 0.447 1130 M N 0.673 120.348 119.600 0.125 0.000 2.358 1130 M HA -0.034 4.448 4.480 0.003 0.000 0.264 1130 M C 2.296 178.698 176.300 0.170 0.000 1.064 1130 M CA 1.710 57.138 55.300 0.213 0.000 1.093 1130 M CB -1.843 30.831 32.600 0.123 0.000 1.401 1130 M HN 0.462 nan 8.290 nan 0.000 0.440 1131 G N 1.616 110.446 108.800 0.050 0.000 2.462 1131 G HA2 -0.183 3.779 3.960 0.003 0.000 0.220 1131 G HA3 -0.183 3.779 3.960 0.003 0.000 0.220 1131 G C 1.495 176.366 174.900 -0.048 0.000 1.121 1131 G CA 0.848 45.950 45.100 0.003 0.000 0.758 1131 G HN 0.661 nan 8.290 nan 0.000 0.559 1132 I N -3.255 117.229 120.570 -0.142 0.000 2.916 1132 I HA 0.139 4.310 4.170 0.003 0.000 0.267 1132 I C 1.660 177.557 176.117 -0.367 0.000 1.263 1132 I CA 0.667 61.792 61.300 -0.291 0.000 1.471 1132 I CB -0.272 37.467 38.000 -0.435 0.000 1.089 1132 I HN -0.007 nan 8.210 nan 0.000 0.468 1133 F N 1.774 121.641 119.950 -0.139 0.000 2.811 1133 F HA 0.077 4.606 4.527 0.003 0.000 0.301 1133 F C 1.861 177.597 175.800 -0.107 0.000 1.151 1133 F CA 0.658 58.557 58.000 -0.168 0.000 1.412 1133 F CB 0.016 38.860 39.000 -0.261 0.000 1.113 1133 F HN 0.355 nan 8.300 nan 0.000 0.579 1134 S N -2.967 112.747 115.700 0.024 0.000 2.998 1134 S HA 0.346 4.818 4.470 0.003 0.000 0.256 1134 S C 0.083 174.675 174.600 -0.014 0.000 0.970 1134 S CA 0.031 58.239 58.200 0.014 0.000 1.238 1134 S CB 0.120 63.337 63.200 0.028 0.000 1.170 1134 S HN 0.050 nan 8.310 nan 0.000 0.663 1135 S N 0.614 116.289 115.700 -0.043 0.000 2.586 1135 S HA 0.446 4.918 4.470 0.003 0.000 0.277 1135 S C 0.381 174.939 174.600 -0.070 0.000 1.131 1135 S CA 0.231 58.405 58.200 -0.045 0.000 0.848 1135 S CB 0.926 64.105 63.200 -0.034 0.000 1.091 1135 S HN 0.638 nan 8.310 nan 0.000 0.453 1136 T N 0.226 114.746 114.554 -0.057 0.000 3.065 1136 T HA 0.210 4.562 4.350 0.003 0.000 0.252 1136 T C 1.275 175.937 174.700 -0.063 0.000 1.099 1136 T CA 1.068 63.130 62.100 -0.063 0.000 1.063 1136 T CB -0.264 68.579 68.868 -0.042 0.000 0.948 1136 T HN 0.563 nan 8.240 nan 0.000 0.506 1137 E N 2.685 122.852 120.200 -0.055 0.000 2.132 1137 E HA -0.132 4.220 4.350 0.003 0.000 0.218 1137 E C -0.710 175.848 176.600 -0.070 0.000 1.058 1137 E CA 2.223 58.591 56.400 -0.053 0.000 0.882 1137 E CB -1.359 28.315 29.700 -0.044 0.000 0.774 1137 E HN 0.466 nan 8.360 nan 0.000 0.467 1138 P HA -0.111 nan 4.420 nan 0.000 0.226 1138 P C 0.572 177.791 177.300 -0.136 0.000 1.146 1138 P CA 0.808 63.833 63.100 -0.125 0.000 0.773 1138 P CB 0.160 31.765 31.700 -0.158 0.000 0.772 1139 L N -2.411 118.748 121.223 -0.108 0.000 2.554 1139 L HA 0.353 4.695 4.340 0.003 0.000 0.225 1139 L C 1.527 178.368 176.870 -0.049 0.000 1.104 1139 L CA 0.852 55.642 54.840 -0.084 0.000 0.866 1139 L CB -1.460 40.559 42.059 -0.067 0.000 1.047 1139 L HN 0.087 nan 8.230 nan 0.000 0.468 1140 G N 0.454 109.222 108.800 -0.053 0.000 2.198 1140 G HA2 -0.170 3.792 3.960 0.003 0.000 0.257 1140 G HA3 -0.170 3.792 3.960 0.003 0.000 0.257 1140 G C 0.194 175.072 174.900 -0.035 0.000 1.042 1140 G CA 0.505 45.579 45.100 -0.043 0.000 0.791 1140 G HN 0.463 nan 8.290 nan 0.000 0.502 1141 V N -4.401 115.495 119.914 -0.031 0.000 3.130 1141 V HA 0.923 5.045 4.120 0.003 0.000 0.310 1141 V C 0.355 176.436 176.094 -0.022 0.000 1.158 1141 V CA -0.436 61.851 62.300 -0.023 0.000 1.029 1141 V CB 1.757 33.574 31.823 -0.010 0.000 1.057 1141 V HN 0.345 nan 8.190 nan 0.000 0.436 1142 T N 3.355 117.899 114.554 -0.017 0.000 2.910 1142 T HA 0.386 4.737 4.350 0.003 0.000 0.293 1142 T C -1.815 172.879 174.700 -0.010 0.000 1.015 1142 T CA -0.645 61.447 62.100 -0.014 0.000 1.094 1142 T CB 1.567 70.428 68.868 -0.011 0.000 0.968 1142 T HN 0.751 nan 8.240 nan 0.000 0.521 1143 P HA -0.116 nan 4.420 nan 0.000 0.216 1143 P C 1.381 178.681 177.300 -0.000 0.000 1.153 1143 P CA 0.896 63.993 63.100 -0.005 0.000 0.858 1143 P CB 0.277 31.975 31.700 -0.005 0.000 0.789 1144 E N -0.220 119.980 120.200 -0.001 0.000 2.077 1144 E HA -0.223 4.129 4.350 0.003 0.000 0.193 1144 E C 2.148 178.750 176.600 0.003 0.000 0.989 1144 E CA 1.377 57.778 56.400 0.002 0.000 0.800 1144 E CB -0.608 29.092 29.700 0.000 0.000 0.746 1144 E HN 0.230 nan 8.360 nan 0.000 0.452 1145 Q N -0.396 119.404 119.800 -0.000 0.000 2.096 1145 Q HA -0.150 4.192 4.340 0.003 0.000 0.204 1145 Q C 2.056 178.061 176.000 0.008 0.000 0.982 1145 Q CA 1.871 57.675 55.803 0.001 0.000 0.850 1145 Q CB -0.218 28.517 28.738 -0.004 0.000 0.901 1145 Q HN 0.601 nan 8.270 nan 0.000 0.422 1146 I N -4.444 116.132 120.570 0.009 0.000 4.025 1146 I HA 0.251 4.423 4.170 0.003 0.000 0.336 1146 I C -0.078 176.049 176.117 0.017 0.000 1.390 1146 I CA -0.308 61.002 61.300 0.017 0.000 1.099 1146 I CB 0.359 38.370 38.000 0.020 0.000 1.049 1146 I HN 0.067 nan 8.210 nan 0.000 0.394 1147 M N 0.836 120.444 119.600 0.013 0.000 2.427 1147 M HA -0.213 4.269 4.480 0.003 0.000 0.204 1147 M C -0.481 175.828 176.300 0.015 0.000 0.413 1147 M CA 0.391 55.700 55.300 0.015 0.000 0.507 1147 M CB -1.720 30.891 32.600 0.019 0.000 1.823 1147 M HN 0.709 nan 8.290 nan 0.000 0.859 1148 C N -0.367 118.939 119.300 0.009 0.000 3.247 1148 C HA 0.448 4.909 4.460 0.003 0.000 0.375 1148 C C 0.609 175.597 174.990 -0.002 0.000 1.102 1148 C CA -0.671 58.350 59.018 0.006 0.000 1.227 1148 C CB 1.620 29.362 27.740 0.005 0.000 1.586 1148 C HN 0.577 nan 8.230 nan 0.000 0.544 1149 N N 1.247 119.945 118.700 -0.003 0.000 2.325 1149 N HA 0.106 4.848 4.740 0.003 0.000 0.182 1149 N C 0.257 175.756 175.510 -0.019 0.000 1.088 1149 N CA 1.108 54.153 53.050 -0.007 0.000 0.879 1149 N CB 0.758 39.245 38.487 0.000 0.000 0.983 1149 N HN 0.800 nan 8.380 nan 0.000 0.471 1150 V N -3.796 116.101 119.914 -0.027 0.000 3.113 1150 V HA 0.829 4.951 4.120 0.003 0.000 0.316 1150 V C 1.003 177.048 176.094 -0.082 0.000 1.125 1150 V CA -0.851 61.419 62.300 -0.051 0.000 1.026 1150 V CB 1.346 33.145 31.823 -0.039 0.000 1.080 1150 V HN -0.097 nan 8.190 nan 0.000 0.444 1151 G N -0.056 108.658 108.800 -0.144 0.000 3.314 1151 G HA2 0.167 4.129 3.960 0.003 0.000 0.238 1151 G HA3 0.167 4.129 3.960 0.003 0.000 0.238 1151 G C 0.777 175.529 174.900 -0.247 0.000 1.184 1151 G CA 0.672 45.661 45.100 -0.184 0.000 0.806 1151 G HN 1.227 nan 8.290 nan 0.000 0.536 1152 T N -1.083 113.341 114.554 -0.217 0.000 3.235 1152 T HA 0.338 4.690 4.350 0.003 0.000 0.251 1152 T C 0.846 175.511 174.700 -0.059 0.000 1.060 1152 T CA -0.521 61.450 62.100 -0.214 0.000 0.949 1152 T CB -0.341 68.444 68.868 -0.139 0.000 1.020 1152 T HN 0.124 nan 8.240 nan 0.000 0.564 1153 I N 2.046 122.589 120.570 -0.045 0.000 2.741 1153 I HA 0.288 4.460 4.170 0.003 0.000 0.288 1153 I C 1.667 177.798 176.117 0.022 0.000 1.192 1153 I CA 1.310 62.611 61.300 0.001 0.000 1.426 1153 I CB 0.102 38.108 38.000 0.010 0.000 1.367 1153 I HN 0.574 nan 8.210 nan 0.000 0.563 1154 G N 6.101 114.909 108.800 0.013 0.000 2.253 1154 G HA2 -0.230 3.732 3.960 0.003 0.000 0.251 1154 G HA3 -0.230 3.732 3.960 0.003 0.000 0.251 1154 G C 0.375 175.418 174.900 0.238 0.000 0.998 1154 G CA -0.557 44.544 45.100 0.001 0.000 0.621 1154 G HN 0.456 nan 8.290 nan 0.000 0.524 1155 I N 3.887 124.584 120.570 0.212 0.000 2.517 1155 I HA 0.195 4.367 4.170 0.003 0.000 0.285 1155 I C -1.324 174.977 176.117 0.306 0.000 1.106 1155 I CA -2.369 59.086 61.300 0.258 0.000 1.402 1155 I CB 0.006 38.112 38.000 0.177 0.000 1.399 1155 I HN 0.057 nan 8.210 nan 0.000 0.535 1156 P HA -0.046 nan 4.420 nan 0.000 0.263 1156 P C 0.392 177.868 177.300 0.293 0.000 1.175 1156 P CA 0.464 63.715 63.100 0.251 0.000 0.761 1156 P CB 0.658 32.479 31.700 0.202 0.000 0.794 1157 E N 0.865 121.199 120.200 0.223 0.000 5.052 1157 E HA -0.281 4.071 4.350 0.003 0.000 0.167 1157 E C 1.037 177.614 176.600 -0.037 0.000 1.146 1157 E CA 1.915 58.392 56.400 0.129 0.000 2.262 1157 E CB -2.211 27.580 29.700 0.152 0.000 1.785 1157 E HN 0.535 nan 8.360 nan 0.000 0.455 1158 F N 0.709 120.776 119.950 0.195 0.000 2.797 1158 F HA 0.249 4.778 4.527 0.003 0.000 0.302 1158 F C 2.286 178.128 175.800 0.071 0.000 1.130 1158 F CA 0.784 58.872 58.000 0.146 0.000 1.387 1158 F CB 0.478 39.639 39.000 0.268 0.000 1.107 1158 F HN 0.206 nan 8.300 nan 0.000 0.577 1159 G N -1.045 107.879 108.800 0.207 0.000 2.921 1159 G HA2 -0.020 3.942 3.960 0.003 0.000 0.213 1159 G HA3 -0.020 3.942 3.960 0.003 0.000 0.213 1159 G C 0.797 175.751 174.900 0.089 0.000 1.143 1159 G CA 0.039 45.218 45.100 0.131 0.000 0.764 1159 G HN 0.075 nan 8.290 nan 0.000 0.542 1160 T N 0.570 115.174 114.554 0.083 0.000 2.908 1160 T HA 0.057 4.408 4.350 0.003 0.000 0.325 1160 T C 1.740 176.481 174.700 0.068 0.000 1.092 1160 T CA 0.090 62.233 62.100 0.071 0.000 1.125 1160 T CB 0.961 69.867 68.868 0.064 0.000 1.016 1160 T HN 0.207 nan 8.240 nan 0.000 0.550 1161 R N 1.047 121.597 120.500 0.083 0.000 2.081 1161 R HA -0.069 4.273 4.340 0.003 0.000 0.235 1161 R C 2.133 178.504 176.300 0.118 0.000 1.131 1161 R CA 1.290 57.442 56.100 0.085 0.000 0.960 1161 R CB -0.358 29.991 30.300 0.081 0.000 0.856 1161 R HN 0.638 nan 8.270 nan 0.000 0.436 1162 F N 1.121 121.058 119.950 -0.022 0.000 2.095 1162 F HA -0.217 4.311 4.527 0.003 0.000 0.298 1162 F C 1.902 177.658 175.800 -0.073 0.000 1.104 1162 F CA 1.404 59.381 58.000 -0.039 0.000 1.232 1162 F CB -0.466 38.499 39.000 -0.060 0.000 0.987 1162 F HN -0.264 nan 8.300 nan 0.000 0.475 1163 V N 0.849 120.615 119.914 -0.247 0.000 2.453 1163 V HA -0.211 3.911 4.120 0.003 0.000 0.247 1163 V C 2.516 178.496 176.094 -0.190 0.000 1.048 1163 V CA 1.837 63.909 62.300 -0.380 0.000 1.049 1163 V CB -0.717 30.966 31.823 -0.233 0.000 0.672 1163 V HN 0.248 nan 8.190 nan 0.000 0.457 1164 R N 0.029 120.492 120.500 -0.062 0.000 2.103 1164 R HA -0.272 4.069 4.340 0.003 0.000 0.242 1164 R C 2.429 178.696 176.300 -0.054 0.000 1.142 1164 R CA 2.087 58.175 56.100 -0.019 0.000 0.960 1164 R CB -0.368 29.938 30.300 0.010 0.000 0.858 1164 R HN 0.500 nan 8.270 nan 0.000 0.439 1165 Q N 0.811 120.567 119.800 -0.072 0.000 2.050 1165 Q HA -0.115 4.227 4.340 0.003 0.000 0.202 1165 Q C 2.010 177.943 176.000 -0.112 0.000 0.980 1165 Q CA 1.750 57.526 55.803 -0.046 0.000 0.840 1165 Q CB -0.126 28.630 28.738 0.029 0.000 0.898 1165 Q HN 0.273 nan 8.270 nan 0.000 0.424 1166 M N -0.670 118.735 119.600 -0.326 0.000 2.106 1166 M HA -0.206 4.275 4.480 0.003 0.000 0.259 1166 M C 1.674 177.819 176.300 -0.258 0.000 1.068 1166 M CA 1.129 56.142 55.300 -0.477 0.000 1.100 1166 M CB -0.319 31.699 32.600 -0.970 0.000 1.351 1166 M HN 0.266 nan 8.290 nan 0.000 0.404 1167 L N 0.213 121.343 121.223 -0.155 0.000 2.083 1167 L HA -0.165 4.177 4.340 0.003 0.000 0.209 1167 L C 2.334 179.193 176.870 -0.019 0.000 1.083 1167 L CA 1.804 56.618 54.840 -0.044 0.000 0.752 1167 L CB -1.086 40.995 42.059 0.038 0.000 0.899 1167 L HN 0.358 nan 8.230 nan 0.000 0.433 1168 E N -0.251 119.938 120.200 -0.018 0.000 2.118 1168 E HA -0.268 4.084 4.350 0.003 0.000 0.195 1168 E C 1.944 178.557 176.600 0.023 0.000 0.992 1168 E CA 1.424 57.827 56.400 0.006 0.000 0.804 1168 E CB 0.098 29.805 29.700 0.011 0.000 0.741 1168 E HN 0.678 nan 8.360 nan 0.000 0.458 1169 E N -0.655 119.566 120.200 0.034 0.000 2.400 1169 E HA -0.053 4.299 4.350 0.003 0.000 0.195 1169 E C 1.468 178.118 176.600 0.084 0.000 1.012 1169 E CA 1.174 57.622 56.400 0.080 0.000 0.875 1169 E CB 0.262 30.052 29.700 0.150 0.000 0.859 1169 E HN 0.243 nan 8.360 nan 0.000 0.498 1170 T N -1.836 112.742 114.554 0.040 0.000 2.990 1170 T HA 0.193 4.545 4.350 0.003 0.000 0.250 1170 T C 0.673 175.386 174.700 0.022 0.000 1.041 1170 T CA -0.380 61.743 62.100 0.040 0.000 1.010 1170 T CB -0.165 68.696 68.868 -0.011 0.000 1.003 1170 T HN 0.080 nan 8.240 nan 0.000 0.499 1171 R N 1.796 122.305 120.500 0.015 0.000 3.109 1171 R HA -0.097 4.245 4.340 0.003 0.000 0.241 1171 R C -2.414 173.893 176.300 0.012 0.000 0.882 1171 R CA 0.297 56.407 56.100 0.018 0.000 0.604 1171 R CB -1.898 28.414 30.300 0.019 0.000 1.040 1171 R HN 0.492 nan 8.270 nan 0.000 0.480 1172 P HA 0.064 nan 4.420 nan 0.000 0.271 1172 P C -0.054 177.230 177.300 -0.026 0.000 1.216 1172 P CA 0.071 63.153 63.100 -0.031 0.000 0.776 1172 P CB 0.896 32.545 31.700 -0.085 0.000 0.881 1173 K N -0.120 120.268 120.400 -0.021 0.000 2.511 1173 K HA 0.159 4.480 4.320 0.003 0.000 0.206 1173 K C 0.710 177.307 176.600 -0.005 0.000 1.333 1173 K CA 0.417 56.703 56.287 -0.001 0.000 0.957 1173 K CB 0.192 32.703 32.500 0.019 0.000 1.172 1173 K HN 0.352 nan 8.250 nan 0.000 0.547 1174 T N 0.598 115.151 114.554 -0.003 0.000 2.904 1174 T HA 0.107 4.459 4.350 0.003 0.000 0.290 1174 T C 0.482 175.207 174.700 0.043 0.000 1.018 1174 T CA -0.351 61.776 62.100 0.045 0.000 1.075 1174 T CB 0.484 69.381 68.868 0.048 0.000 0.986 1174 T HN 0.057 nan 8.240 nan 0.000 0.523 1175 F N 2.632 122.579 119.950 -0.004 0.000 2.065 1175 F HA -0.184 4.344 4.527 0.003 0.000 0.298 1175 F C 2.678 178.470 175.800 -0.013 0.000 1.112 1175 F CA 2.258 60.263 58.000 0.007 0.000 1.212 1175 F CB -0.414 38.679 39.000 0.155 0.000 0.975 1175 F HN 0.627 nan 8.300 nan 0.000 0.476 1176 S N -0.688 115.154 115.700 0.236 0.000 2.447 1176 S HA -0.177 4.294 4.470 0.003 0.000 0.233 1176 S C 1.760 176.362 174.600 0.003 0.000 1.006 1176 S CA 1.305 59.578 58.200 0.123 0.000 0.957 1176 S CB -0.682 62.610 63.200 0.153 0.000 0.773 1176 S HN 0.654 nan 8.310 nan 0.000 0.507 1177 E N 0.437 120.625 120.200 -0.021 0.000 2.072 1177 E HA -0.025 4.327 4.350 0.003 0.000 0.190 1177 E C 1.894 178.438 176.600 -0.094 0.000 0.982 1177 E CA 0.975 57.350 56.400 -0.041 0.000 0.803 1177 E CB -0.207 29.474 29.700 -0.033 0.000 0.755 1177 E HN 0.324 nan 8.360 nan 0.000 0.453 1178 L N 0.597 121.693 121.223 -0.212 0.000 2.012 1178 L HA -0.183 4.159 4.340 0.003 0.000 0.210 1178 L C 2.348 179.141 176.870 -0.129 0.000 1.073 1178 L CA 1.334 56.004 54.840 -0.284 0.000 0.748 1178 L CB -0.945 40.726 42.059 -0.647 0.000 0.891 1178 L HN 0.054 nan 8.230 nan 0.000 0.431 1179 V N -0.759 119.014 119.914 -0.235 0.000 2.332 1179 V HA -0.349 3.773 4.120 0.003 0.000 0.248 1179 V C 2.606 178.706 176.094 0.010 0.000 1.055 1179 V CA 1.814 64.041 62.300 -0.121 0.000 1.038 1179 V CB -0.553 31.185 31.823 -0.142 0.000 0.651 1179 V HN 0.501 nan 8.190 nan 0.000 0.450 1180 Q N -0.019 119.787 119.800 0.011 0.000 2.061 1180 Q HA -0.207 4.135 4.340 0.003 0.000 0.204 1180 Q C 1.967 177.990 176.000 0.039 0.000 0.984 1180 Q CA 2.123 57.951 55.803 0.042 0.000 0.846 1180 Q CB -0.323 28.438 28.738 0.040 0.000 0.902 1180 Q HN 0.489 nan 8.270 nan 0.000 0.421 1181 I N 0.213 120.795 120.570 0.019 0.000 2.286 1181 I HA -0.205 3.967 4.170 0.003 0.000 0.248 1181 I C 2.371 178.493 176.117 0.009 0.000 1.115 1181 I CA 1.533 62.824 61.300 -0.016 0.000 1.392 1181 I CB -1.695 36.327 38.000 0.037 0.000 1.065 1181 I HN 0.305 nan 8.210 nan 0.000 0.418 1182 S N 0.984 116.751 115.700 0.111 0.000 2.359 1182 S HA -0.159 4.312 4.470 0.003 0.000 0.224 1182 S C 2.237 176.992 174.600 0.258 0.000 1.035 1182 S CA 1.782 60.087 58.200 0.176 0.000 1.018 1182 S CB -0.714 62.629 63.200 0.238 0.000 0.876 1182 S HN 0.518 nan 8.310 nan 0.000 0.448 1183 G N 1.521 110.451 108.800 0.217 0.000 2.459 1183 G HA2 -0.149 3.813 3.960 0.003 0.000 0.217 1183 G HA3 -0.149 3.813 3.960 0.003 0.000 0.217 1183 G C 1.411 176.303 174.900 -0.014 0.000 1.183 1183 G CA 1.065 46.239 45.100 0.123 0.000 0.776 1183 G HN 0.542 nan 8.290 nan 0.000 0.552 1184 L N 1.523 122.753 121.223 0.011 0.000 2.201 1184 L HA -0.019 4.322 4.340 0.003 0.000 0.212 1184 L C 2.763 179.612 176.870 -0.036 0.000 1.105 1184 L CA 1.277 56.133 54.840 0.028 0.000 0.775 1184 L CB -0.170 41.916 42.059 0.045 0.000 0.913 1184 L HN 0.403 nan 8.230 nan 0.000 0.440 1185 S N -2.663 112.947 115.700 -0.149 0.000 2.605 1185 S HA 0.039 4.511 4.470 0.003 0.000 0.217 1185 S C 0.170 174.575 174.600 -0.326 0.000 0.958 1185 S CA -0.337 57.715 58.200 -0.246 0.000 0.919 1185 S CB -0.355 62.577 63.200 -0.446 0.000 0.780 1185 S HN 0.396 nan 8.310 nan 0.000 0.507 1186 H N 0.744 119.683 119.070 -0.220 0.000 2.887 1186 H HA 0.648 5.206 4.556 0.003 0.000 0.300 1186 H C 0.275 175.528 175.328 -0.125 0.000 1.038 1186 H CA 0.449 56.319 56.048 -0.297 0.000 1.352 1186 H CB 1.092 30.338 29.762 -0.860 0.000 1.473 1186 H HN 0.498 nan 8.280 nan 0.000 0.503 1187 G N 1.723 110.563 108.800 0.068 0.000 2.653 1187 G HA2 -0.068 3.894 3.960 0.003 0.000 0.656 1187 G HA3 -0.068 3.894 3.960 0.003 0.000 0.656 1187 G C -0.547 174.399 174.900 0.078 0.000 1.419 1187 G CA -1.120 44.068 45.100 0.147 0.000 0.862 1187 G HN 0.461 nan 8.290 nan 0.000 0.639 1188 T N 2.278 116.865 114.554 0.055 0.000 2.870 1188 T HA 0.449 4.801 4.350 0.003 0.000 0.300 1188 T C 0.696 175.420 174.700 0.040 0.000 0.989 1188 T CA 1.107 63.220 62.100 0.020 0.000 1.139 1188 T CB 0.706 69.574 68.868 -0.001 0.000 0.920 1188 T HN 0.867 nan 8.240 nan 0.000 0.537 1189 D N 1.103 121.526 120.400 0.039 0.000 3.041 1189 D HA -0.144 4.498 4.640 0.003 0.000 0.220 1189 D C 1.081 177.419 176.300 0.063 0.000 1.157 1189 D CA 0.373 54.396 54.000 0.040 0.000 0.876 1189 D CB -1.418 39.392 40.800 0.017 0.000 1.107 1189 D HN 0.392 nan 8.370 nan 0.000 0.422 1190 V N -0.873 119.108 119.914 0.112 0.000 2.426 1190 V HA -0.041 4.081 4.120 0.003 0.000 0.242 1190 V C 1.979 178.206 176.094 0.221 0.000 1.036 1190 V CA 1.758 64.138 62.300 0.133 0.000 1.044 1190 V CB 0.047 31.947 31.823 0.129 0.000 0.688 1190 V HN 0.482 nan 8.190 nan 0.000 0.462 1191 W N -0.273 121.069 121.300 0.071 0.000 3.096 1191 W HA 0.267 4.929 4.660 0.003 0.000 0.271 1191 W C 0.083 176.654 176.519 0.086 0.000 0.983 1191 W CA -0.104 57.295 57.345 0.090 0.000 1.978 1191 W CB 0.015 29.574 29.460 0.165 0.000 1.175 1191 W HN 0.034 nan 8.180 nan 0.000 0.559 1192 L N 2.363 123.727 121.223 0.235 0.000 2.640 1192 L HA 0.075 4.417 4.340 0.003 0.000 0.280 1192 L C 1.613 178.460 176.870 -0.039 0.000 1.229 1192 L CA 2.097 56.963 54.840 0.044 0.000 0.919 1192 L CB -0.646 41.485 42.059 0.121 0.000 1.168 1192 L HN 0.603 nan 8.230 nan 0.000 0.496 1193 G N 2.095 110.833 108.800 -0.104 0.000 2.189 1193 G HA2 -0.382 3.579 3.960 0.003 0.000 0.267 1193 G HA3 -0.382 3.579 3.960 0.003 0.000 0.267 1193 G C 0.874 175.727 174.900 -0.077 0.000 0.975 1193 G CA 0.770 45.823 45.100 -0.078 0.000 0.644 1193 G HN 0.651 nan 8.290 nan 0.000 0.537 1194 N N -0.989 117.647 118.700 -0.106 0.000 2.504 1194 N HA 0.536 5.278 4.740 0.003 0.000 0.115 1194 N C 2.307 177.733 175.510 -0.140 0.000 1.699 1194 N CA 1.482 54.488 53.050 -0.073 0.000 1.209 1194 N CB -0.646 37.834 38.487 -0.013 0.000 0.989 1194 N HN 0.554 nan 8.380 nan 0.000 0.366 1195 A N 1.026 123.780 122.820 -0.111 0.000 1.927 1195 A HA -0.241 4.081 4.320 0.003 0.000 0.220 1195 A C 2.046 179.356 177.584 -0.456 0.000 1.185 1195 A CA 2.336 54.284 52.037 -0.149 0.000 0.639 1195 A CB -1.118 17.921 19.000 0.064 0.000 0.820 1195 A HN 0.704 nan 8.150 nan 0.000 0.451 1196 Q N -0.614 118.645 119.800 -0.901 0.000 2.061 1196 Q HA -0.262 4.079 4.340 0.003 0.000 0.204 1196 Q C 1.987 177.639 176.000 -0.580 0.000 0.984 1196 Q CA 2.052 57.096 55.803 -1.265 0.000 0.846 1196 Q CB -0.185 27.554 28.738 -1.664 0.000 0.902 1196 Q HN 0.786 nan 8.270 nan 0.000 0.421 1197 E N 0.048 120.010 120.200 -0.397 0.000 2.106 1197 E HA -0.154 4.197 4.350 0.003 0.000 0.192 1197 E C 2.091 178.560 176.600 -0.219 0.000 0.984 1197 E CA 1.104 57.356 56.400 -0.246 0.000 0.806 1197 E CB -0.026 29.573 29.700 -0.169 0.000 0.750 1197 E HN 0.391 nan 8.360 nan 0.000 0.458 1198 L N 0.508 121.592 121.223 -0.231 0.000 2.083 1198 L HA -0.202 4.140 4.340 0.003 0.000 0.209 1198 L C 2.308 179.021 176.870 -0.262 0.000 1.083 1198 L CA 0.938 55.622 54.840 -0.259 0.000 0.752 1198 L CB -0.378 41.517 42.059 -0.273 0.000 0.899 1198 L HN 0.211 nan 8.230 nan 0.000 0.433 1199 I N -0.845 119.586 120.570 -0.233 0.000 2.286 1199 I HA -0.251 3.921 4.170 0.003 0.000 0.245 1199 I C 2.551 178.581 176.117 -0.145 0.000 1.104 1199 I CA 1.179 62.377 61.300 -0.171 0.000 1.397 1199 I CB -0.285 37.637 38.000 -0.130 0.000 1.072 1199 I HN 0.309 nan 8.210 nan 0.000 0.417 1200 Q N 0.528 120.231 119.800 -0.160 0.000 2.172 1200 Q HA -0.127 4.215 4.340 0.003 0.000 0.200 1200 Q C 1.730 177.667 176.000 -0.105 0.000 0.964 1200 Q CA 1.000 56.732 55.803 -0.117 0.000 0.855 1200 Q CB -0.113 28.553 28.738 -0.121 0.000 0.918 1200 Q HN 0.468 nan 8.270 nan 0.000 0.444 1201 N N -0.164 118.459 118.700 -0.128 0.000 2.453 1201 N HA -0.055 4.687 4.740 0.003 0.000 0.183 1201 N C 1.027 176.467 175.510 -0.118 0.000 1.041 1201 N CA 1.143 54.124 53.050 -0.115 0.000 0.900 1201 N CB 0.060 38.465 38.487 -0.137 0.000 0.961 1201 N HN 0.420 nan 8.380 nan 0.000 0.443 1202 G N -0.185 108.535 108.800 -0.133 0.000 2.155 1202 G HA2 -0.345 3.617 3.960 0.003 0.000 0.257 1202 G HA3 -0.345 3.617 3.960 0.003 0.000 0.257 1202 G C 1.075 175.864 174.900 -0.185 0.000 0.983 1202 G CA 1.282 46.303 45.100 -0.131 0.000 0.676 1202 G HN 0.478 nan 8.290 nan 0.000 0.528 1203 T N -1.607 112.787 114.554 -0.266 0.000 2.962 1203 T HA 0.202 4.553 4.350 0.003 0.000 0.270 1203 T C 1.364 175.713 174.700 -0.584 0.000 1.088 1203 T CA 2.374 64.228 62.100 -0.410 0.000 1.127 1203 T CB -0.451 68.138 68.868 -0.464 0.000 0.883 1203 T HN 1.850 nan 8.240 nan 0.000 0.493 1204 C N 0.020 119.030 119.300 -0.483 0.000 3.295 1204 C HA 0.786 5.247 4.460 0.003 0.000 0.341 1204 C C 0.239 175.109 174.990 -0.200 0.000 1.418 1204 C CA -0.389 58.409 59.018 -0.366 0.000 1.240 1204 C CB 1.033 28.450 27.740 -0.539 0.000 1.562 1204 C HN 0.506 nan 8.230 nan 0.000 0.457 1205 T N -0.412 114.078 114.554 -0.106 0.000 2.847 1205 T HA 0.425 4.777 4.350 0.003 0.000 0.279 1205 T C 0.892 175.583 174.700 -0.016 0.000 0.984 1205 T CA 0.045 62.115 62.100 -0.050 0.000 0.988 1205 T CB 0.811 69.668 68.868 -0.018 0.000 1.040 1205 T HN 1.463 nan 8.240 nan 0.000 0.528 1206 L N 1.540 122.774 121.223 0.018 0.000 2.013 1206 L HA -0.062 4.280 4.340 0.003 0.000 0.212 1206 L C 2.685 179.595 176.870 0.066 0.000 1.073 1206 L CA 2.772 57.652 54.840 0.065 0.000 0.753 1206 L CB -1.493 40.614 42.059 0.079 0.000 0.890 1206 L HN 0.973 nan 8.230 nan 0.000 0.432 1207 S N -1.909 113.818 115.700 0.045 0.000 2.453 1207 S HA -0.094 4.378 4.470 0.003 0.000 0.231 1207 S C 1.637 176.267 174.600 0.049 0.000 1.005 1207 S CA 0.868 59.096 58.200 0.046 0.000 0.949 1207 S CB -0.548 62.671 63.200 0.032 0.000 0.774 1207 S HN 0.670 nan 8.310 nan 0.000 0.510 1208 E N 0.455 120.683 120.200 0.046 0.000 2.442 1208 E HA 0.216 4.568 4.350 0.003 0.000 0.195 1208 E C 0.069 176.746 176.600 0.127 0.000 1.030 1208 E CA -0.128 56.311 56.400 0.066 0.000 0.869 1208 E CB 0.334 30.066 29.700 0.054 0.000 0.857 1208 E HN 0.291 nan 8.360 nan 0.000 0.505 1209 V N 1.721 121.698 119.914 0.105 0.000 2.924 1209 V HA 0.029 4.151 4.120 0.003 0.000 0.305 1209 V C 0.297 176.475 176.094 0.140 0.000 1.073 1209 V CA -0.085 62.295 62.300 0.135 0.000 1.098 1209 V CB 0.922 32.805 31.823 0.099 0.000 1.000 1209 V HN 0.100 nan 8.190 nan 0.000 0.484 1210 I N 4.507 125.152 120.570 0.125 0.000 2.406 1210 I HA 0.220 4.391 4.170 0.003 0.000 0.293 1210 I C 1.266 177.431 176.117 0.080 0.000 1.101 1210 I CA 0.680 62.030 61.300 0.084 0.000 1.334 1210 I CB 0.661 38.654 38.000 -0.012 0.000 1.421 1210 I HN 0.763 nan 8.210 nan 0.000 0.513 1211 G N 5.546 114.398 108.800 0.087 0.000 3.228 1211 G HA2 0.272 4.234 3.960 0.003 0.000 0.245 1211 G HA3 0.272 4.234 3.960 0.003 0.000 0.245 1211 G C 0.024 174.976 174.900 0.086 0.000 1.051 1211 G CA 0.116 45.268 45.100 0.088 0.000 0.809 1211 G HN 0.713 nan 8.290 nan 0.000 0.531 1212 C N -1.511 117.836 119.300 0.079 0.000 3.284 1212 C HA 0.597 5.059 4.460 0.003 0.000 0.338 1212 C C 1.492 176.516 174.990 0.056 0.000 1.237 1212 C CA -0.957 58.111 59.018 0.083 0.000 1.276 1212 C CB 1.469 29.272 27.740 0.105 0.000 1.601 1212 C HN 0.512 nan 8.230 nan 0.000 0.494 1213 R N 0.905 121.422 120.500 0.029 0.000 2.127 1213 R HA -0.139 4.203 4.340 0.003 0.000 0.238 1213 R C 0.736 177.066 176.300 0.049 0.000 1.134 1213 R CA 2.626 58.729 56.100 0.006 0.000 0.975 1213 R CB -0.621 29.656 30.300 -0.038 0.000 0.865 1213 R HN 0.831 nan 8.270 nan 0.000 0.447 1214 D N 1.330 121.775 120.400 0.074 0.000 2.117 1214 D HA -0.150 4.491 4.640 0.003 0.000 0.197 1214 D C 1.298 177.670 176.300 0.119 0.000 0.987 1214 D CA 1.539 55.599 54.000 0.100 0.000 0.829 1214 D CB -0.307 40.554 40.800 0.102 0.000 0.961 1214 D HN 0.283 nan 8.370 nan 0.000 0.460 1215 D N 0.050 120.521 120.400 0.118 0.000 2.265 1215 D HA -0.090 4.551 4.640 0.003 0.000 0.208 1215 D C 2.072 178.494 176.300 0.203 0.000 0.977 1215 D CA 0.420 54.506 54.000 0.143 0.000 0.871 1215 D CB -0.095 40.779 40.800 0.124 0.000 0.925 1215 D HN 0.327 nan 8.370 nan 0.000 0.485 1216 I N 0.301 120.984 120.570 0.188 0.000 2.202 1216 I HA -0.221 3.951 4.170 0.003 0.000 0.242 1216 I C 2.525 178.763 176.117 0.202 0.000 1.091 1216 I CA 0.668 62.119 61.300 0.251 0.000 1.368 1216 I CB -0.188 37.899 38.000 0.146 0.000 1.058 1216 I HN -0.007 nan 8.210 nan 0.000 0.410 1217 M N 0.713 120.398 119.600 0.143 0.000 2.059 1217 M HA -0.183 4.299 4.480 0.003 0.000 0.259 1217 M C 2.352 178.737 176.300 0.142 0.000 1.072 1217 M CA 1.915 57.295 55.300 0.133 0.000 1.117 1217 M CB -0.045 32.663 32.600 0.180 0.000 1.320 1217 M HN -0.003 nan 8.290 nan 0.000 0.408 1218 V N 0.081 120.094 119.914 0.166 0.000 2.469 1218 V HA -0.291 3.831 4.120 0.003 0.000 0.251 1218 V C 2.211 178.419 176.094 0.190 0.000 1.064 1218 V CA 2.036 64.434 62.300 0.162 0.000 1.066 1218 V CB -1.221 30.690 31.823 0.146 0.000 0.667 1218 V HN 0.659 nan 8.190 nan 0.000 0.461 1219 Y N 0.008 120.345 120.300 0.062 0.000 2.365 1219 Y HA 0.002 4.554 4.550 0.003 0.000 0.293 1219 Y C 2.063 177.973 175.900 0.016 0.000 1.119 1219 Y CA 1.179 59.303 58.100 0.041 0.000 1.203 1219 Y CB -0.112 38.327 38.460 -0.034 0.000 1.026 1219 Y HN 0.147 nan 8.280 nan 0.000 0.549 1220 L N -0.428 120.716 121.223 -0.131 0.000 2.156 1220 L HA -0.158 4.184 4.340 0.003 0.000 0.208 1220 L C 2.244 178.954 176.870 -0.267 0.000 1.095 1220 L CA 1.067 55.726 54.840 -0.302 0.000 0.770 1220 L CB -0.422 41.540 42.059 -0.163 0.000 0.914 1220 L HN 0.249 nan 8.230 nan 0.000 0.439 1221 I N -1.290 119.208 120.570 -0.120 0.000 2.202 1221 I HA -0.334 3.838 4.170 0.003 0.000 0.242 1221 I C 2.564 178.613 176.117 -0.113 0.000 1.091 1221 I CA 1.295 62.530 61.300 -0.108 0.000 1.368 1221 I CB -0.408 37.589 38.000 -0.004 0.000 1.058 1221 I HN 0.141 nan 8.210 nan 0.000 0.410 1222 Y N 1.967 122.179 120.300 -0.147 0.000 2.102 1222 Y HA -0.293 4.259 4.550 0.003 0.000 0.280 1222 Y C 2.398 178.173 175.900 -0.209 0.000 1.178 1222 Y CA 1.673 59.696 58.100 -0.130 0.000 1.146 1222 Y CB -0.204 38.222 38.460 -0.057 0.000 0.968 1222 Y HN -0.042 nan 8.280 nan 0.000 0.504 1223 R N 0.422 120.663 120.500 -0.432 0.000 2.357 1223 R HA 0.064 4.406 4.340 0.003 0.000 0.202 1223 R C 1.676 177.727 176.300 -0.415 0.000 1.047 1223 R CA 0.661 56.459 56.100 -0.504 0.000 1.034 1223 R CB -0.945 28.977 30.300 -0.630 0.000 0.875 1223 R HN 0.733 nan 8.270 nan 0.000 0.473 1224 G N -1.002 107.541 108.800 -0.429 0.000 2.307 1224 G HA2 -0.243 3.719 3.960 0.003 0.000 0.210 1224 G HA3 -0.243 3.719 3.960 0.003 0.000 0.210 1224 G C -0.061 174.469 174.900 -0.616 0.000 1.005 1224 G CA -0.200 44.645 45.100 -0.426 0.000 0.634 1224 G HN 0.172 nan 8.290 nan 0.000 0.496 1225 L N 1.507 122.280 121.223 -0.750 0.000 2.483 1225 L HA 0.506 4.848 4.340 0.003 0.000 0.277 1225 L C 0.918 177.596 176.870 -0.320 0.000 1.248 1225 L CA 0.167 54.667 54.840 -0.567 0.000 0.825 1225 L CB 0.373 42.184 42.059 -0.413 0.000 1.096 1225 L HN 0.390 nan 8.230 nan 0.000 0.512 1226 E N 2.501 122.558 120.200 -0.239 0.000 2.324 1226 E HA 0.107 4.459 4.350 0.003 0.000 0.271 1226 E C -1.941 174.487 176.600 -0.286 0.000 1.028 1226 E CA -1.231 55.039 56.400 -0.216 0.000 0.890 1226 E CB 0.933 30.536 29.700 -0.162 0.000 1.004 1226 E HN 0.269 nan 8.360 nan 0.000 0.431 1227 P HA -0.250 nan 4.420 nan 0.000 0.215 1227 P C 1.125 177.979 177.300 -0.744 0.000 1.157 1227 P CA 2.080 64.838 63.100 -0.570 0.000 0.874 1227 P CB -0.025 31.167 31.700 -0.846 0.000 0.790 1228 S N -0.736 114.454 115.700 -0.850 0.000 2.383 1228 S HA -0.189 4.283 4.470 0.003 0.000 0.229 1228 S C 1.907 176.453 174.600 -0.091 0.000 1.030 1228 S CA 1.375 59.314 58.200 -0.434 0.000 1.002 1228 S CB -1.637 61.417 63.200 -0.243 0.000 0.829 1228 S HN 0.041 nan 8.310 nan 0.000 0.467 1229 L N 1.829 122.961 121.223 -0.152 0.000 2.109 1229 L HA 0.296 4.638 4.340 0.003 0.000 0.207 1229 L C 2.617 179.371 176.870 -0.195 0.000 1.086 1229 L CA 1.510 56.269 54.840 -0.135 0.000 0.760 1229 L CB -1.133 40.848 42.059 -0.129 0.000 0.910 1229 L HN 0.338 nan 8.230 nan 0.000 0.437 1230 A N -0.817 121.909 122.820 -0.156 0.000 1.930 1230 A HA -0.220 4.102 4.320 0.003 0.000 0.217 1230 A C 2.237 179.805 177.584 -0.026 0.000 1.175 1230 A CA 1.615 53.581 52.037 -0.118 0.000 0.627 1230 A CB -1.129 17.826 19.000 -0.076 0.000 0.815 1230 A HN 0.555 nan 8.150 nan 0.000 0.443 1231 F N 1.461 121.387 119.950 -0.039 0.000 2.069 1231 F HA -0.153 4.376 4.527 0.003 0.000 0.298 1231 F C 2.624 178.404 175.800 -0.032 0.000 1.113 1231 F CA 2.850 60.888 58.000 0.063 0.000 1.214 1231 F CB -0.562 38.596 39.000 0.265 0.000 0.978 1231 F HN 0.254 nan 8.300 nan 0.000 0.474 1232 K N 0.790 121.133 120.400 -0.095 0.000 2.152 1232 K HA -0.120 4.202 4.320 0.003 0.000 0.206 1232 K C 2.044 178.409 176.600 -0.392 0.000 1.048 1232 K CA 2.128 58.283 56.287 -0.220 0.000 0.933 1232 K CB -1.545 30.934 32.500 -0.034 0.000 0.721 1232 K HN 0.614 nan 8.250 nan 0.000 0.447 1233 I N -0.128 120.127 120.570 -0.525 0.000 2.333 1233 I HA -0.144 4.028 4.170 0.003 0.000 0.246 1233 I C 2.831 178.784 176.117 -0.273 0.000 1.106 1233 I CA 1.317 62.268 61.300 -0.581 0.000 1.411 1233 I CB -0.072 37.575 38.000 -0.590 0.000 1.082 1233 I HN 0.454 nan 8.210 nan 0.000 0.420 1234 M N 0.702 120.159 119.600 -0.239 0.000 2.080 1234 M HA -0.247 4.235 4.480 0.003 0.000 0.260 1234 M C 2.137 178.299 176.300 -0.230 0.000 1.068 1234 M CA 1.916 57.110 55.300 -0.176 0.000 1.109 1234 M CB -0.185 32.337 32.600 -0.131 0.000 1.342 1234 M HN 0.095 nan 8.290 nan 0.000 0.405 1235 E N 0.039 120.006 120.200 -0.388 0.000 2.110 1235 E HA -0.174 4.178 4.350 0.003 0.000 0.193 1235 E C 2.092 178.592 176.600 -0.166 0.000 0.988 1235 E CA 1.520 57.713 56.400 -0.345 0.000 0.804 1235 E CB -0.491 28.895 29.700 -0.523 0.000 0.745 1235 E HN 0.580 nan 8.360 nan 0.000 0.458 1236 S N 0.372 116.008 115.700 -0.107 0.000 2.355 1236 S HA -0.113 4.359 4.470 0.003 0.000 0.222 1236 S C 2.133 176.730 174.600 -0.005 0.000 1.031 1236 S CA 1.358 59.564 58.200 0.011 0.000 0.993 1236 S CB -0.187 63.124 63.200 0.184 0.000 0.859 1236 S HN 0.213 nan 8.310 nan 0.000 0.453 1237 V N 2.887 122.783 119.914 -0.030 0.000 2.548 1237 V HA -0.031 4.091 4.120 0.003 0.000 0.249 1237 V C 2.258 178.312 176.094 -0.066 0.000 1.055 1237 V CA 2.081 64.361 62.300 -0.033 0.000 1.065 1237 V CB -0.877 30.923 31.823 -0.039 0.000 0.681 1237 V HN 0.698 nan 8.190 nan 0.000 0.462 1238 R N 0.854 121.292 120.500 -0.105 0.000 2.280 1238 R HA 0.075 4.417 4.340 0.003 0.000 0.207 1238 R C 1.782 177.994 176.300 -0.147 0.000 1.043 1238 R CA 1.336 57.331 56.100 -0.174 0.000 1.006 1238 R CB -0.851 29.332 30.300 -0.195 0.000 0.885 1238 R HN 0.484 nan 8.270 nan 0.000 0.467 1239 K N 0.336 120.703 120.400 -0.054 0.000 2.387 1239 K HA 0.228 4.550 4.320 0.003 0.000 0.198 1239 K C 0.302 176.928 176.600 0.043 0.000 1.022 1239 K CA 0.398 56.697 56.287 0.021 0.000 1.128 1239 K CB 0.718 33.228 32.500 0.018 0.000 0.853 1239 K HN 0.405 nan 8.250 nan 0.000 0.523 1240 G N 2.378 111.190 108.800 0.019 0.000 2.273 1240 G HA2 -0.318 3.644 3.960 0.003 0.000 0.280 1240 G HA3 -0.318 3.644 3.960 0.003 0.000 0.280 1240 G C 0.372 175.287 174.900 0.025 0.000 1.047 1240 G CA 0.505 45.622 45.100 0.029 0.000 0.869 1240 G HN 0.357 nan 8.290 nan 0.000 0.502 1241 K N -0.288 120.125 120.400 0.022 0.000 2.358 1241 K HA 0.425 4.747 4.320 0.003 0.000 0.197 1241 K C 1.826 178.445 176.600 0.031 0.000 1.025 1241 K CA 0.336 56.637 56.287 0.024 0.000 1.104 1241 K CB 0.479 32.995 32.500 0.027 0.000 0.855 1241 K HN 1.315 nan 8.250 nan 0.000 0.531 1242 G N 1.556 110.377 108.800 0.035 0.000 2.569 1242 G HA2 -0.270 3.692 3.960 0.003 0.000 0.259 1242 G HA3 -0.270 3.692 3.960 0.003 0.000 0.259 1242 G C -1.071 173.889 174.900 0.101 0.000 1.263 1242 G CA -0.658 44.469 45.100 0.044 0.000 0.928 1242 G HN 0.042 nan 8.290 nan 0.000 0.572 1243 L N 1.232 122.512 121.223 0.094 0.000 2.365 1243 L HA 0.695 5.037 4.340 0.003 0.000 0.273 1243 L C 1.257 178.126 176.870 -0.002 0.000 1.000 1243 L CA 0.086 55.028 54.840 0.171 0.000 0.819 1243 L CB 1.281 43.437 42.059 0.162 0.000 1.284 1243 L HN 1.255 nan 8.230 nan 0.000 0.418 1244 T N 0.077 114.495 114.554 -0.227 0.000 2.874 1244 T HA 0.414 4.765 4.350 0.003 0.000 0.281 1244 T C -1.939 172.651 174.700 -0.184 0.000 0.994 1244 T CA -1.598 60.305 62.100 -0.328 0.000 1.015 1244 T CB 1.136 69.620 68.868 -0.640 0.000 1.028 1244 T HN 0.393 nan 8.240 nan 0.000 0.523 1245 P HA -0.116 nan 4.420 nan 0.000 0.216 1245 P C 1.310 178.592 177.300 -0.030 0.000 1.157 1245 P CA 1.199 64.262 63.100 -0.061 0.000 0.880 1245 P CB 0.011 31.673 31.700 -0.062 0.000 0.791 1246 E N -1.575 118.578 120.200 -0.077 0.000 2.085 1246 E HA -0.178 4.174 4.350 0.003 0.000 0.194 1246 E C 1.807 178.517 176.600 0.184 0.000 0.994 1246 E CA 1.166 57.570 56.400 0.007 0.000 0.801 1246 E CB -0.950 28.726 29.700 -0.041 0.000 0.743 1246 E HN 0.224 nan 8.360 nan 0.000 0.453 1247 F N 1.342 121.291 119.950 -0.002 0.000 2.102 1247 F HA -0.096 4.432 4.527 0.003 0.000 0.298 1247 F C 2.068 177.873 175.800 0.008 0.000 1.105 1247 F CA 1.107 59.108 58.000 0.001 0.000 1.239 1247 F CB -1.071 37.928 39.000 -0.002 0.000 0.991 1247 F HN 0.109 nan 8.300 nan 0.000 0.474 1248 E N 0.283 120.604 120.200 0.201 0.000 2.058 1248 E HA -0.213 4.139 4.350 0.003 0.000 0.194 1248 E C 2.425 179.076 176.600 0.086 0.000 0.997 1248 E CA 1.280 57.748 56.400 0.114 0.000 0.801 1248 E CB -0.452 29.289 29.700 0.069 0.000 0.746 1248 E HN 0.308 nan 8.360 nan 0.000 0.450 1249 A N 1.853 124.719 122.820 0.076 0.000 1.908 1249 A HA -0.237 4.085 4.320 0.003 0.000 0.218 1249 A C 2.049 179.672 177.584 0.065 0.000 1.181 1249 A CA 1.442 53.511 52.037 0.053 0.000 0.627 1249 A CB -0.343 18.680 19.000 0.038 0.000 0.818 1249 A HN 0.115 nan 8.150 nan 0.000 0.445 1250 E N -0.687 119.575 120.200 0.103 0.000 2.107 1250 E HA -0.134 4.218 4.350 0.003 0.000 0.191 1250 E C 2.076 178.754 176.600 0.131 0.000 0.982 1250 E CA 1.219 57.693 56.400 0.123 0.000 0.809 1250 E CB -0.327 29.440 29.700 0.112 0.000 0.756 1250 E HN 0.738 nan 8.360 nan 0.000 0.459 1251 M N 0.047 119.697 119.600 0.082 0.000 2.099 1251 M HA -0.126 4.356 4.480 0.003 0.000 0.262 1251 M C 2.374 178.699 176.300 0.041 0.000 1.067 1251 M CA 1.468 56.796 55.300 0.045 0.000 1.124 1251 M CB -0.157 32.473 32.600 0.050 0.000 1.353 1251 M HN -0.067 nan 8.290 nan 0.000 0.410 1252 R N 0.498 121.019 120.500 0.036 0.000 2.081 1252 R HA -0.169 4.173 4.340 0.003 0.000 0.235 1252 R C 2.155 178.447 176.300 -0.014 0.000 1.131 1252 R CA 1.649 57.755 56.100 0.010 0.000 0.960 1252 R CB -0.441 29.864 30.300 0.010 0.000 0.856 1252 R HN 0.257 nan 8.270 nan 0.000 0.436 1253 K N 0.211 120.597 120.400 -0.024 0.000 2.281 1253 K HA -0.179 4.143 4.320 0.003 0.000 0.203 1253 K C 0.598 177.047 176.600 -0.252 0.000 1.046 1253 K CA 1.757 57.973 56.287 -0.119 0.000 0.938 1253 K CB -0.130 32.301 32.500 -0.115 0.000 0.737 1253 K HN 0.327 nan 8.250 nan 0.000 0.458 1254 H N 0.439 119.462 119.070 -0.078 0.000 2.487 1254 H HA 0.191 4.749 4.556 0.003 0.000 0.290 1254 H C -0.567 174.689 175.328 -0.120 0.000 1.081 1254 H CA 0.308 56.289 56.048 -0.112 0.000 1.116 1254 H CB 0.542 30.213 29.762 -0.152 0.000 1.560 1254 H HN 0.325 nan 8.280 nan 0.000 0.548 1255 D N -0.890 119.503 120.400 -0.013 0.000 3.070 1255 D HA -0.159 4.483 4.640 0.003 0.000 0.210 1255 D C -0.296 175.989 176.300 -0.024 0.000 1.103 1255 D CA 0.401 54.391 54.000 -0.017 0.000 0.980 1255 D CB -1.482 39.309 40.800 -0.014 0.000 1.100 1255 D HN 0.156 nan 8.370 nan 0.000 0.423 1256 V N 1.988 121.871 119.914 -0.052 0.000 2.493 1256 V HA 0.090 4.212 4.120 0.003 0.000 0.292 1256 V C -1.544 174.506 176.094 -0.074 0.000 1.016 1256 V CA -0.378 61.870 62.300 -0.087 0.000 1.097 1256 V CB 0.458 32.225 31.823 -0.094 0.000 0.947 1256 V HN -0.043 nan 8.190 nan 0.000 0.479 1257 P HA 0.130 nan 4.420 nan 0.000 0.269 1257 P C 0.672 177.852 177.300 -0.201 0.000 1.215 1257 P CA -0.247 62.759 63.100 -0.156 0.000 0.780 1257 P CB 0.860 32.402 31.700 -0.264 0.000 0.898 1258 E N 1.830 122.002 120.200 -0.045 0.000 2.110 1258 E HA -0.158 4.194 4.350 0.003 0.000 0.193 1258 E C 1.503 178.121 176.600 0.030 0.000 0.988 1258 E CA 1.432 57.838 56.400 0.010 0.000 0.804 1258 E CB -0.504 29.238 29.700 0.070 0.000 0.745 1258 E HN 0.633 nan 8.360 nan 0.000 0.458 1259 W N -0.563 120.797 121.300 0.100 0.000 2.402 1259 W HA -0.182 4.480 4.660 0.003 0.000 0.286 1259 W C 1.573 178.145 176.519 0.088 0.000 1.221 1259 W CA 0.594 57.982 57.345 0.071 0.000 1.257 1259 W CB -1.139 28.355 29.460 0.056 0.000 1.120 1259 W HN 0.117 nan 8.180 nan 0.000 0.551 1260 Y N 1.746 121.450 120.300 -0.992 0.000 2.220 1260 Y HA -0.118 4.433 4.550 0.003 0.000 0.291 1260 Y C 2.627 178.348 175.900 -0.298 0.000 1.129 1260 Y CA 2.425 59.963 58.100 -0.936 0.000 1.161 1260 Y CB -0.618 37.110 38.460 -1.220 0.000 0.997 1260 Y HN -0.212 nan 8.280 nan 0.000 0.522 1261 I N 0.071 120.611 120.570 -0.051 0.000 2.226 1261 I HA -0.283 3.889 4.170 0.003 0.000 0.245 1261 I C 2.012 178.111 176.117 -0.029 0.000 1.100 1261 I CA 1.992 63.297 61.300 0.009 0.000 1.374 1261 I CB -0.346 37.674 38.000 0.034 0.000 1.057 1261 I HN 0.253 nan 8.210 nan 0.000 0.413 1262 D N -0.162 120.234 120.400 -0.007 0.000 2.183 1262 D HA -0.187 4.455 4.640 0.003 0.000 0.203 1262 D C 2.242 178.541 176.300 -0.002 0.000 0.969 1262 D CA 1.237 55.247 54.000 0.018 0.000 0.842 1262 D CB 0.111 40.948 40.800 0.062 0.000 0.957 1262 D HN 0.122 nan 8.370 nan 0.000 0.484 1263 S N -1.348 114.334 115.700 -0.029 0.000 2.387 1263 S HA -0.121 4.350 4.470 0.003 0.000 0.226 1263 S C 2.133 176.657 174.600 -0.125 0.000 1.026 1263 S CA 1.117 59.285 58.200 -0.055 0.000 0.972 1263 S CB -0.712 62.474 63.200 -0.024 0.000 0.814 1263 S HN 0.509 nan 8.310 nan 0.000 0.477 1264 C N 1.593 120.775 119.300 -0.195 0.000 2.425 1264 C HA 0.050 4.512 4.460 0.003 0.000 0.277 1264 C C 2.504 177.462 174.990 -0.054 0.000 1.280 1264 C CA 0.875 59.809 59.018 -0.140 0.000 1.744 1264 C CB -1.134 26.540 27.740 -0.111 0.000 1.989 1264 C HN 0.633 nan 8.230 nan 0.000 0.491 1265 K N 0.574 120.956 120.400 -0.030 0.000 2.365 1265 K HA -0.062 4.260 4.320 0.003 0.000 0.199 1265 K C 1.906 178.503 176.600 -0.006 0.000 1.045 1265 K CA 0.839 57.124 56.287 -0.004 0.000 0.962 1265 K CB -0.006 32.497 32.500 0.005 0.000 0.759 1265 K HN 0.539 nan 8.250 nan 0.000 0.469 1266 K N 0.645 121.037 120.400 -0.013 0.000 2.166 1266 K HA 0.106 4.428 4.320 0.003 0.000 0.201 1266 K C 0.472 177.072 176.600 -0.001 0.000 1.052 1266 K CA 0.200 56.484 56.287 -0.005 0.000 0.969 1266 K CB 0.139 32.636 32.500 -0.004 0.000 0.761 1266 K HN 0.027 nan 8.250 nan 0.000 0.459 1267 I N 2.914 123.477 120.570 -0.011 0.000 2.828 1267 I HA -0.153 4.019 4.170 0.003 0.000 0.292 1267 I C 1.210 177.334 176.117 0.012 0.000 1.206 1267 I CA 0.212 61.509 61.300 -0.004 0.000 1.420 1267 I CB 0.440 38.419 38.000 -0.034 0.000 1.368 1267 I HN 0.049 nan 8.210 nan 0.000 0.556 1268 K N 5.727 126.152 120.400 0.041 0.000 2.284 1268 K HA 0.096 4.418 4.320 0.003 0.000 0.198 1268 K C -0.270 176.412 176.600 0.138 0.000 1.048 1268 K CA 0.751 57.079 56.287 0.068 0.000 0.987 1268 K CB 0.227 32.765 32.500 0.063 0.000 0.800 1268 K HN 0.602 nan 8.250 nan 0.000 0.486 1269 Y N -0.671 119.621 120.300 -0.014 0.000 2.624 1269 Y HA 0.512 5.064 4.550 0.003 0.000 0.334 1269 Y C -1.847 174.035 175.900 -0.029 0.000 1.155 1269 Y CA -1.401 56.690 58.100 -0.015 0.000 1.046 1269 Y CB 1.594 40.044 38.460 -0.017 0.000 1.316 1269 Y HN -0.100 nan 8.280 nan 0.000 0.457 1270 M N 5.105 123.911 119.600 -1.323 0.000 2.307 1270 M HA 0.420 4.902 4.480 0.003 0.000 0.279 1270 M C -2.060 173.909 176.300 -0.552 0.000 1.080 1270 M CA -0.339 54.538 55.300 -0.704 0.000 0.964 1270 M CB 0.861 33.286 32.600 -0.292 0.000 1.825 1270 M HN 0.504 nan 8.290 nan 0.000 0.489 1271 F N 4.842 124.607 119.950 -0.307 0.000 2.626 1271 F HA 0.306 4.835 4.527 0.003 0.000 0.354 1271 F C -1.895 173.832 175.800 -0.121 0.000 1.168 1271 F CA -1.134 56.771 58.000 -0.158 0.000 1.368 1271 F CB -0.275 38.706 39.000 -0.032 0.000 1.092 1271 F HN 0.343 nan 8.300 nan 0.000 0.612 1272 P HA 0.134 nan 4.420 nan 0.000 0.288 1272 P C 0.375 177.719 177.300 0.073 0.000 1.267 1272 P CA -0.559 62.582 63.100 0.069 0.000 0.815 1272 P CB 1.200 32.931 31.700 0.051 0.000 0.989 1273 K N 2.459 122.906 120.400 0.078 0.000 2.127 1273 K HA -0.233 4.089 4.320 0.003 0.000 0.208 1273 K C 1.793 178.401 176.600 0.014 0.000 1.047 1273 K CA 2.104 58.429 56.287 0.063 0.000 0.927 1273 K CB -0.533 32.012 32.500 0.075 0.000 0.716 1273 K HN 0.528 nan 8.250 nan 0.000 0.450 1274 A N 0.035 122.868 122.820 0.022 0.000 1.933 1274 A HA -0.217 4.105 4.320 0.003 0.000 0.218 1274 A C 1.872 179.417 177.584 -0.066 0.000 1.175 1274 A CA 1.906 53.940 52.037 -0.004 0.000 0.628 1274 A CB -0.732 18.286 19.000 0.030 0.000 0.814 1274 A HN 0.560 nan 8.150 nan 0.000 0.444 1275 H N -0.127 118.813 119.070 -0.216 0.000 2.321 1275 H HA 0.049 4.606 4.556 0.003 0.000 0.300 1275 H C 2.189 177.213 175.328 -0.507 0.000 1.087 1275 H CA 1.960 57.751 56.048 -0.429 0.000 1.319 1275 H CB -0.231 29.128 29.762 -0.671 0.000 1.379 1275 H HN 0.380 nan 8.280 nan 0.000 0.501 1276 A N 0.902 123.511 122.820 -0.352 0.000 1.908 1276 A HA -0.161 4.160 4.320 0.003 0.000 0.218 1276 A C 2.593 180.087 177.584 -0.150 0.000 1.181 1276 A CA 1.966 53.879 52.037 -0.206 0.000 0.627 1276 A CB -1.417 17.623 19.000 0.067 0.000 0.818 1276 A HN 0.648 nan 8.150 nan 0.000 0.445 1277 A N -0.271 122.469 122.820 -0.133 0.000 1.873 1277 A HA 0.202 4.524 4.320 0.003 0.000 0.215 1277 A C 2.545 180.129 177.584 -0.000 0.000 1.186 1277 A CA 2.075 54.050 52.037 -0.104 0.000 0.616 1277 A CB -1.139 17.687 19.000 -0.289 0.000 0.823 1277 A HN 1.105 nan 8.150 nan 0.000 0.442 1278 A N -1.153 121.632 122.820 -0.059 0.000 1.873 1278 A HA -0.165 4.157 4.320 0.003 0.000 0.218 1278 A C 2.134 179.755 177.584 0.062 0.000 1.193 1278 A CA 1.890 53.925 52.037 -0.003 0.000 0.629 1278 A CB -0.907 18.056 19.000 -0.062 0.000 0.826 1278 A HN 0.556 nan 8.150 nan 0.000 0.447 1279 Y N -0.237 119.874 120.300 -0.316 0.000 2.200 1279 Y HA -0.111 4.441 4.550 0.003 0.000 0.290 1279 Y C 2.716 178.607 175.900 -0.015 0.000 1.137 1279 Y CA 0.734 58.700 58.100 -0.222 0.000 1.163 1279 Y CB -0.861 37.400 38.460 -0.332 0.000 0.988 1279 Y HN 0.088 nan 8.280 nan 0.000 0.518 1280 V N -0.143 119.845 119.914 0.123 0.000 2.343 1280 V HA -0.280 3.842 4.120 0.003 0.000 0.247 1280 V C 2.401 178.560 176.094 0.108 0.000 1.051 1280 V CA 1.608 63.935 62.300 0.045 0.000 1.036 1280 V CB -0.990 30.634 31.823 -0.330 0.000 0.654 1280 V HN 0.339 nan 8.190 nan 0.000 0.451 1281 L N -0.732 120.656 121.223 0.275 0.000 2.079 1281 L HA -0.189 4.153 4.340 0.003 0.000 0.210 1281 L C 2.212 179.216 176.870 0.223 0.000 1.081 1281 L CA 2.210 57.296 54.840 0.410 0.000 0.752 1281 L CB -0.585 41.717 42.059 0.405 0.000 0.896 1281 L HN 0.249 nan 8.230 nan 0.000 0.433 1282 M N -0.577 119.104 119.600 0.135 0.000 2.156 1282 M HA 0.005 4.487 4.480 0.003 0.000 0.264 1282 M C 2.218 178.603 176.300 0.143 0.000 1.067 1282 M CA 1.828 57.173 55.300 0.076 0.000 1.131 1282 M CB -0.708 31.851 32.600 -0.068 0.000 1.368 1282 M HN 0.350 nan 8.290 nan 0.000 0.416 1283 A N -1.362 121.574 122.820 0.194 0.000 1.969 1283 A HA -0.064 4.258 4.320 0.003 0.000 0.218 1283 A C 2.197 179.961 177.584 0.300 0.000 1.169 1283 A CA 1.607 53.818 52.037 0.290 0.000 0.635 1283 A CB -0.918 18.354 19.000 0.454 0.000 0.810 1283 A HN 0.320 nan 8.150 nan 0.000 0.445 1284 V N -0.462 119.605 119.914 0.254 0.000 2.488 1284 V HA -0.167 3.955 4.120 0.003 0.000 0.246 1284 V C 2.560 178.808 176.094 0.257 0.000 1.046 1284 V CA 1.825 64.285 62.300 0.267 0.000 1.053 1284 V CB -0.685 31.278 31.823 0.234 0.000 0.679 1284 V HN 0.515 nan 8.190 nan 0.000 0.458 1285 R N -0.121 120.517 120.500 0.230 0.000 2.083 1285 R HA -0.121 4.221 4.340 0.003 0.000 0.237 1285 R C 2.241 178.793 176.300 0.420 0.000 1.137 1285 R CA 1.834 58.083 56.100 0.248 0.000 0.951 1285 R CB -0.420 29.994 30.300 0.190 0.000 0.851 1285 R HN 0.418 nan 8.270 nan 0.000 0.434 1286 I N 0.448 121.230 120.570 0.353 0.000 2.208 1286 I HA -0.280 3.891 4.170 0.003 0.000 0.245 1286 I C 2.560 178.878 176.117 0.336 0.000 1.097 1286 I CA 1.230 62.761 61.300 0.386 0.000 1.363 1286 I CB -0.428 37.742 38.000 0.284 0.000 1.051 1286 I HN 0.237 nan 8.210 nan 0.000 0.413 1287 A N 0.214 123.163 122.820 0.215 0.000 1.940 1287 A HA -0.300 4.022 4.320 0.003 0.000 0.219 1287 A C 2.295 179.899 177.584 0.034 0.000 1.176 1287 A CA 1.610 53.661 52.037 0.024 0.000 0.631 1287 A CB -1.101 17.931 19.000 0.053 0.000 0.814 1287 A HN 0.572 nan 8.150 nan 0.000 0.446 1288 Y N -0.645 119.686 120.300 0.052 0.000 2.256 1288 Y HA -0.224 4.328 4.550 0.003 0.000 0.288 1288 Y C 1.761 177.623 175.900 -0.064 0.000 1.155 1288 Y CA 2.005 60.099 58.100 -0.011 0.000 1.203 1288 Y CB -0.290 38.145 38.460 -0.041 0.000 0.980 1288 Y HN 0.305 nan 8.280 nan 0.000 0.530 1289 F N 0.145 120.219 119.950 0.207 0.000 2.234 1289 F HA -0.016 4.513 4.527 0.003 0.000 0.296 1289 F C 2.474 178.196 175.800 -0.129 0.000 1.089 1289 F CA 1.277 59.364 58.000 0.146 0.000 1.343 1289 F CB -0.491 38.650 39.000 0.235 0.000 1.040 1289 F HN -0.163 nan 8.300 nan 0.000 0.498 1290 K N 0.614 120.871 120.400 -0.238 0.000 2.113 1290 K HA -0.183 4.139 4.320 0.003 0.000 0.208 1290 K C 1.777 178.089 176.600 -0.479 0.000 1.047 1290 K CA 1.757 57.529 56.287 -0.858 0.000 0.928 1290 K CB -0.190 31.556 32.500 -1.257 0.000 0.716 1290 K HN 0.161 nan 8.250 nan 0.000 0.446 1291 V N -0.317 119.340 119.914 -0.428 0.000 2.500 1291 V HA -0.091 4.031 4.120 0.003 0.000 0.243 1291 V C 1.904 177.675 176.094 -0.538 0.000 1.039 1291 V CA 1.202 63.202 62.300 -0.499 0.000 1.053 1291 V CB -0.271 31.162 31.823 -0.651 0.000 0.695 1291 V HN 0.374 nan 8.190 nan 0.000 0.463 1292 H N -1.192 117.605 119.070 -0.454 0.000 2.595 1292 H HA 0.255 4.813 4.556 0.003 0.000 0.265 1292 H C 0.252 175.123 175.328 -0.762 0.000 0.953 1292 H CA 0.633 56.292 56.048 -0.648 0.000 1.197 1292 H CB 0.483 29.654 29.762 -0.986 0.000 1.438 1292 H HN 0.468 nan 8.280 nan 0.000 0.531 1293 H N 0.071 119.125 119.070 -0.026 0.000 2.597 1293 H HA 0.135 4.693 4.556 0.003 0.000 0.225 1293 H C -1.902 173.452 175.328 0.044 0.000 1.422 1293 H CA -1.426 54.656 56.048 0.058 0.000 1.335 1293 H CB 1.425 31.287 29.762 0.167 0.000 1.783 1293 H HN 0.184 nan 8.280 nan 0.000 0.513 1294 P HA -0.164 nan 4.420 nan 0.000 0.216 1294 P C 1.800 179.029 177.300 -0.119 0.000 1.153 1294 P CA 0.742 63.818 63.100 -0.042 0.000 0.858 1294 P CB 0.762 32.544 31.700 0.137 0.000 0.789 1295 L N -1.741 119.330 121.223 -0.253 0.000 2.141 1295 L HA -0.154 4.188 4.340 0.003 0.000 0.209 1295 L C 2.491 179.347 176.870 -0.022 0.000 1.094 1295 L CA 0.993 55.687 54.840 -0.243 0.000 0.763 1295 L CB -0.717 41.140 42.059 -0.336 0.000 0.908 1295 L HN -0.067 nan 8.230 nan 0.000 0.437 1296 L N -1.430 119.820 121.223 0.045 0.000 2.056 1296 L HA -0.257 4.085 4.340 0.003 0.000 0.207 1296 L C 2.329 179.221 176.870 0.037 0.000 1.078 1296 L CA 1.680 56.562 54.840 0.069 0.000 0.749 1296 L CB -1.113 41.034 42.059 0.147 0.000 0.901 1296 L HN 0.182 nan 8.230 nan 0.000 0.433 1297 Y N -0.743 119.506 120.300 -0.085 0.000 2.128 1297 Y HA -0.334 4.217 4.550 0.003 0.000 0.284 1297 Y C 2.420 178.179 175.900 -0.235 0.000 1.154 1297 Y CA 1.684 59.663 58.100 -0.201 0.000 1.149 1297 Y CB -0.544 37.716 38.460 -0.334 0.000 0.976 1297 Y HN 0.189 nan 8.280 nan 0.000 0.505 1298 Y N -0.654 119.608 120.300 -0.064 0.000 2.263 1298 Y HA -0.067 4.485 4.550 0.003 0.000 0.292 1298 Y C 2.656 178.578 175.900 0.037 0.000 1.130 1298 Y CA 0.689 58.732 58.100 -0.096 0.000 1.179 1298 Y CB -0.754 37.799 38.460 0.155 0.000 0.998 1298 Y HN 0.207 nan 8.280 nan 0.000 0.532 1299 A N 0.287 123.207 122.820 0.167 0.000 1.883 1299 A HA -0.251 4.071 4.320 0.003 0.000 0.217 1299 A C 2.422 180.060 177.584 0.089 0.000 1.186 1299 A CA 2.222 54.365 52.037 0.178 0.000 0.624 1299 A CB -1.179 17.903 19.000 0.135 0.000 0.822 1299 A HN 0.501 nan 8.150 nan 0.000 0.444 1300 S N -1.776 113.904 115.700 -0.032 0.000 2.383 1300 S HA -0.223 4.249 4.470 0.003 0.000 0.227 1300 S C 1.935 176.435 174.600 -0.167 0.000 1.026 1300 S CA 1.422 59.565 58.200 -0.096 0.000 0.981 1300 S CB -0.814 62.292 63.200 -0.157 0.000 0.818 1300 S HN 0.616 nan 8.310 nan 0.000 0.472 1301 Y N 1.744 121.792 120.300 -0.420 0.000 2.114 1301 Y HA -0.041 4.511 4.550 0.003 0.000 0.284 1301 Y C 1.773 177.413 175.900 -0.434 0.000 1.143 1301 Y CA 1.733 59.500 58.100 -0.555 0.000 1.135 1301 Y CB -0.555 37.352 38.460 -0.922 0.000 0.980 1301 Y HN 0.257 nan 8.280 nan 0.000 0.499 1302 F N -0.756 119.146 119.950 -0.080 0.000 2.407 1302 F HA -0.105 4.424 4.527 0.003 0.000 0.299 1302 F C 2.356 178.101 175.800 -0.091 0.000 1.097 1302 F CA 1.442 59.286 58.000 -0.260 0.000 1.422 1302 F CB -0.998 37.388 39.000 -1.023 0.000 1.067 1302 F HN -0.033 nan 8.300 nan 0.000 0.539 1303 T N -0.650 113.998 114.554 0.158 0.000 2.770 1303 T HA -0.065 4.287 4.350 0.003 0.000 0.258 1303 T C 2.207 176.992 174.700 0.143 0.000 1.039 1303 T CA 1.409 63.694 62.100 0.307 0.000 1.143 1303 T CB -0.399 68.613 68.868 0.239 0.000 0.866 1303 T HN 0.022 nan 8.240 nan 0.000 0.428 1304 V N 1.040 120.944 119.914 -0.018 0.000 2.500 1304 V HA 0.063 4.184 4.120 0.003 0.000 0.243 1304 V C 2.398 178.402 176.094 -0.150 0.000 1.039 1304 V CA 1.261 63.521 62.300 -0.067 0.000 1.053 1304 V CB -0.333 31.430 31.823 -0.099 0.000 0.695 1304 V HN 0.322 nan 8.190 nan 0.000 0.463 1305 R N 0.416 120.710 120.500 -0.343 0.000 2.146 1305 R HA 0.382 4.724 4.340 0.003 0.000 0.206 1305 R C 1.070 177.152 176.300 -0.364 0.000 1.049 1305 R CA 0.662 56.492 56.100 -0.450 0.000 1.029 1305 R CB -0.016 29.791 30.300 -0.822 0.000 0.949 1305 R HN 0.392 nan 8.270 nan 0.000 0.471 1306 A N 1.925 124.541 122.820 -0.339 0.000 2.388 1306 A HA 0.138 4.459 4.320 0.003 0.000 0.257 1306 A C 0.111 177.592 177.584 -0.171 0.000 1.095 1306 A CA -0.146 51.752 52.037 -0.232 0.000 0.791 1306 A CB 0.361 19.311 19.000 -0.085 0.000 1.029 1306 A HN 0.326 nan 8.150 nan 0.000 0.489 1307 E N 0.660 120.673 120.200 -0.311 0.000 2.702 1307 E HA 0.107 4.459 4.350 0.003 0.000 0.225 1307 E C -1.263 175.167 176.600 -0.283 0.000 0.942 1307 E CA 0.035 56.336 56.400 -0.166 0.000 1.210 1307 E CB 0.673 30.340 29.700 -0.055 0.000 1.143 1307 E HN 0.799 nan 8.360 nan 0.000 0.544 1308 D N 0.314 120.354 120.400 -0.600 0.000 2.696 1308 D HA 0.412 5.054 4.640 0.003 0.000 0.251 1308 D C -1.063 174.874 176.300 -0.604 0.000 1.188 1308 D CA -0.295 53.472 54.000 -0.388 0.000 0.876 1308 D CB 1.113 41.800 40.800 -0.188 0.000 1.334 1308 D HN -0.125 nan 8.370 nan 0.000 0.540 1309 F N 0.585 120.569 119.950 0.057 0.000 2.603 1309 F HA 0.418 4.946 4.527 0.003 0.000 0.317 1309 F C -0.179 175.628 175.800 0.011 0.000 1.066 1309 F CA -1.072 56.948 58.000 0.033 0.000 0.941 1309 F CB 1.679 40.700 39.000 0.035 0.000 1.291 1309 F HN 0.083 nan 8.300 nan 0.000 0.472 1310 D N 2.047 122.557 120.400 0.182 0.000 2.432 1310 D HA 0.290 4.932 4.640 0.003 0.000 0.265 1310 D C 0.555 176.885 176.300 0.050 0.000 1.160 1310 D CA -0.039 54.022 54.000 0.101 0.000 0.911 1310 D CB 0.737 41.570 40.800 0.054 0.000 1.052 1310 D HN 0.514 nan 8.370 nan 0.000 0.508 1311 L N 1.670 122.930 121.223 0.061 0.000 2.046 1311 L HA -0.146 4.195 4.340 0.003 0.000 0.208 1311 L C 1.581 178.428 176.870 -0.037 0.000 1.077 1311 L CA 0.987 55.809 54.840 -0.029 0.000 0.747 1311 L CB -0.027 42.039 42.059 0.011 0.000 0.896 1311 L HN 0.290 nan 8.230 nan 0.000 0.432 1312 D N 0.225 120.628 120.400 0.005 0.000 2.123 1312 D HA -0.188 4.454 4.640 0.003 0.000 0.196 1312 D C 2.198 178.487 176.300 -0.018 0.000 0.992 1312 D CA 1.532 55.523 54.000 -0.014 0.000 0.833 1312 D CB -0.138 40.654 40.800 -0.012 0.000 0.954 1312 D HN 0.349 nan 8.370 nan 0.000 0.455 1313 A N 1.002 123.813 122.820 -0.016 0.000 1.851 1313 A HA -0.202 4.120 4.320 0.003 0.000 0.216 1313 A C 2.333 179.894 177.584 -0.039 0.000 1.195 1313 A CA 1.843 53.870 52.037 -0.016 0.000 0.622 1313 A CB -0.733 18.263 19.000 -0.006 0.000 0.831 1313 A HN 0.143 nan 8.150 nan 0.000 0.444 1314 M N -0.718 118.811 119.600 -0.118 0.000 2.106 1314 M HA -0.169 4.313 4.480 0.003 0.000 0.259 1314 M C 2.103 178.361 176.300 -0.069 0.000 1.068 1314 M CA 1.785 56.931 55.300 -0.257 0.000 1.100 1314 M CB -0.636 31.512 32.600 -0.753 0.000 1.351 1314 M HN 0.414 nan 8.290 nan 0.000 0.404 1315 I N -0.169 120.375 120.570 -0.042 0.000 2.202 1315 I HA -0.273 3.899 4.170 0.003 0.000 0.242 1315 I C 2.409 178.567 176.117 0.068 0.000 1.091 1315 I CA 1.326 62.666 61.300 0.066 0.000 1.368 1315 I CB -0.436 37.583 38.000 0.031 0.000 1.058 1315 I HN 0.228 nan 8.210 nan 0.000 0.410 1316 K N 0.833 121.252 120.400 0.031 0.000 2.113 1316 K HA -0.044 4.277 4.320 0.003 0.000 0.208 1316 K C 1.058 177.685 176.600 0.045 0.000 1.047 1316 K CA 0.983 57.287 56.287 0.029 0.000 0.928 1316 K CB -0.306 32.203 32.500 0.014 0.000 0.716 1316 K HN 0.558 nan 8.250 nan 0.000 0.446 1317 G N -0.631 108.207 108.800 0.064 0.000 2.526 1317 G HA2 -0.237 3.725 3.960 0.003 0.000 0.250 1317 G HA3 -0.237 3.725 3.960 0.003 0.000 0.250 1317 G C 0.526 175.462 174.900 0.060 0.000 1.289 1317 G CA -0.173 44.976 45.100 0.083 0.000 0.947 1317 G HN 0.031 nan 8.290 nan 0.000 0.517 1318 S N -0.160 115.573 115.700 0.054 0.000 2.422 1318 S HA -0.241 4.231 4.470 0.003 0.000 0.248 1318 S C 2.989 177.607 174.600 0.030 0.000 1.069 1318 S CA 3.749 61.973 58.200 0.040 0.000 1.214 1318 S CB -0.956 62.259 63.200 0.025 0.000 1.122 1318 S HN 1.990 nan 8.310 nan 0.000 0.432 1319 A N 1.143 123.976 122.820 0.022 0.000 1.892 1319 A HA -0.028 4.294 4.320 0.003 0.000 0.218 1319 A C 2.374 179.969 177.584 0.018 0.000 1.188 1319 A CA 2.303 54.351 52.037 0.017 0.000 0.631 1319 A CB -1.296 17.712 19.000 0.013 0.000 0.822 1319 A HN 0.667 nan 8.150 nan 0.000 0.447 1320 A N -0.084 122.748 122.820 0.019 0.000 1.883 1320 A HA -0.119 4.202 4.320 0.003 0.000 0.217 1320 A C 2.142 179.736 177.584 0.017 0.000 1.186 1320 A CA 1.636 53.683 52.037 0.016 0.000 0.624 1320 A CB -0.690 18.319 19.000 0.014 0.000 0.822 1320 A HN 0.519 nan 8.150 nan 0.000 0.444 1321 I N -1.116 119.467 120.570 0.023 0.000 2.127 1321 I HA -0.300 3.871 4.170 0.003 0.000 0.241 1321 I C 2.698 178.831 176.117 0.026 0.000 1.075 1321 I CA 1.862 63.177 61.300 0.024 0.000 1.334 1321 I CB -0.413 37.609 38.000 0.038 0.000 1.040 1321 I HN 0.349 nan 8.210 nan 0.000 0.405 1322 R N 1.208 121.724 120.500 0.027 0.000 2.113 1322 R HA -0.281 4.061 4.340 0.003 0.000 0.244 1322 R C 2.379 178.690 176.300 0.020 0.000 1.142 1322 R CA 2.102 58.216 56.100 0.023 0.000 0.953 1322 R CB -0.238 30.074 30.300 0.021 0.000 0.860 1322 R HN 0.266 nan 8.270 nan 0.000 0.438 1323 K N -0.321 120.089 120.400 0.017 0.000 2.057 1323 K HA -0.170 4.152 4.320 0.003 0.000 0.207 1323 K C 2.191 178.800 176.600 0.016 0.000 1.049 1323 K CA 1.151 57.447 56.287 0.015 0.000 0.931 1323 K CB 0.026 32.534 32.500 0.013 0.000 0.714 1323 K HN 0.016 nan 8.250 nan 0.000 0.440 1324 R N 0.985 121.496 120.500 0.018 0.000 2.070 1324 R HA -0.043 4.299 4.340 0.003 0.000 0.233 1324 R C 2.256 178.568 176.300 0.020 0.000 1.137 1324 R CA 1.206 57.317 56.100 0.019 0.000 0.945 1324 R CB -0.896 29.416 30.300 0.020 0.000 0.845 1324 R HN 0.323 nan 8.270 nan 0.000 0.430 1325 I N 0.909 121.492 120.570 0.022 0.000 2.145 1325 I HA -0.319 3.853 4.170 0.003 0.000 0.244 1325 I C 2.067 178.196 176.117 0.020 0.000 1.075 1325 I CA 1.633 62.947 61.300 0.024 0.000 1.332 1325 I CB -0.329 37.687 38.000 0.027 0.000 1.033 1325 I HN 0.282 nan 8.210 nan 0.000 0.410 1326 E N 0.396 120.608 120.200 0.019 0.000 2.106 1326 E HA -0.229 4.123 4.350 0.003 0.000 0.192 1326 E C 2.080 178.690 176.600 0.015 0.000 0.984 1326 E CA 0.997 57.407 56.400 0.017 0.000 0.806 1326 E CB -0.066 29.643 29.700 0.015 0.000 0.750 1326 E HN 0.509 nan 8.360 nan 0.000 0.458 1327 E N 0.487 120.696 120.200 0.015 0.000 2.085 1327 E HA -0.197 4.155 4.350 0.003 0.000 0.194 1327 E C 2.032 178.641 176.600 0.014 0.000 0.994 1327 E CA 0.987 57.395 56.400 0.014 0.000 0.801 1327 E CB -0.032 29.677 29.700 0.014 0.000 0.743 1327 E HN 0.299 nan 8.360 nan 0.000 0.453 1328 I N 0.784 121.363 120.570 0.015 0.000 2.406 1328 I HA -0.191 3.981 4.170 0.003 0.000 0.249 1328 I C 1.875 178.001 176.117 0.014 0.000 1.122 1328 I CA 0.653 61.961 61.300 0.014 0.000 1.431 1328 I CB -0.288 37.721 38.000 0.015 0.000 1.087 1328 I HN 0.119 nan 8.210 nan 0.000 0.424 1329 N N 1.233 119.943 118.700 0.016 0.000 2.069 1329 N HA -0.206 4.536 4.740 0.003 0.000 0.191 1329 N C 2.001 177.520 175.510 0.015 0.000 1.031 1329 N CA 1.262 54.322 53.050 0.017 0.000 0.852 1329 N CB -0.191 38.307 38.487 0.018 0.000 1.018 1329 N HN 0.318 nan 8.380 nan 0.000 0.423 1330 A N 1.526 124.354 122.820 0.014 0.000 2.032 1330 A HA -0.173 4.149 4.320 0.003 0.000 0.221 1330 A C 1.854 179.445 177.584 0.011 0.000 1.165 1330 A CA 1.357 53.401 52.037 0.012 0.000 0.645 1330 A CB -0.236 18.771 19.000 0.012 0.000 0.807 1330 A HN 0.248 nan 8.150 nan 0.000 0.453 1331 K N -0.834 119.573 120.400 0.010 0.000 2.486 1331 K HA 0.180 4.502 4.320 0.003 0.000 0.194 1331 K C 1.461 178.065 176.600 0.007 0.000 1.033 1331 K CA 0.334 56.626 56.287 0.008 0.000 1.004 1331 K CB -0.345 32.159 32.500 0.007 0.000 0.798 1331 K HN 0.578 nan 8.250 nan 0.000 0.495 1332 G N 2.563 111.369 108.800 0.009 0.000 2.627 1332 G HA2 -0.353 3.608 3.960 0.003 0.000 0.312 1332 G HA3 -0.353 3.608 3.960 0.003 0.000 0.312 1332 G C 0.780 175.682 174.900 0.005 0.000 1.299 1332 G CA 0.554 45.659 45.100 0.009 0.000 0.989 1332 G HN 0.448 nan 8.290 nan 0.000 0.547 1333 I N -1.303 119.268 120.570 0.001 0.000 3.444 1333 I HA 0.207 4.379 4.170 0.003 0.000 0.287 1333 I C 1.633 177.745 176.117 -0.009 0.000 1.302 1333 I CA 1.407 62.704 61.300 -0.006 0.000 1.368 1333 I CB -0.163 37.831 38.000 -0.010 0.000 1.048 1333 I HN 0.444 nan 8.210 nan 0.000 0.487 1334 Q N 1.916 121.714 119.800 -0.005 0.000 2.228 1334 Q HA 0.395 4.737 4.340 0.003 0.000 0.211 1334 Q C 0.507 176.504 176.000 -0.005 0.000 0.890 1334 Q CA -0.250 55.549 55.803 -0.007 0.000 0.953 1334 Q CB 0.534 29.270 28.738 -0.003 0.000 1.053 1334 Q HN 0.686 nan 8.270 nan 0.000 0.471 1335 A N 1.229 124.047 122.820 -0.004 0.000 2.327 1335 A HA 0.351 4.673 4.320 0.003 0.000 0.283 1335 A C 0.475 178.056 177.584 -0.006 0.000 1.127 1335 A CA -0.466 51.570 52.037 -0.002 0.000 0.810 1335 A CB 0.493 19.494 19.000 0.001 0.000 1.066 1335 A HN 0.255 nan 8.150 nan 0.000 0.492 1336 T N -0.103 114.449 114.554 -0.005 0.000 2.907 1336 T HA 0.426 4.778 4.350 0.003 0.000 0.298 1336 T C 1.370 176.065 174.700 -0.008 0.000 1.017 1336 T CA 0.050 62.146 62.100 -0.007 0.000 1.118 1336 T CB 1.082 69.948 68.868 -0.004 0.000 0.948 1336 T HN 1.500 nan 8.240 nan 0.000 0.531 1337 A N 3.035 125.848 122.820 -0.011 0.000 2.001 1337 A HA -0.228 4.094 4.320 0.003 0.000 0.224 1337 A C 2.260 179.837 177.584 -0.011 0.000 1.203 1337 A CA 1.799 53.829 52.037 -0.012 0.000 0.667 1337 A CB -0.655 18.337 19.000 -0.014 0.000 0.823 1337 A HN 0.801 nan 8.150 nan 0.000 0.473 1338 K N -0.655 119.740 120.400 -0.009 0.000 2.137 1338 K HA 0.023 4.345 4.320 0.003 0.000 0.202 1338 K C 1.739 178.333 176.600 -0.010 0.000 1.052 1338 K CA 1.309 57.589 56.287 -0.011 0.000 0.961 1338 K CB -0.443 32.053 32.500 -0.006 0.000 0.741 1338 K HN 0.715 nan 8.250 nan 0.000 0.452 1339 E N 1.031 121.229 120.200 -0.004 0.000 2.150 1339 E HA -0.096 4.256 4.350 0.003 0.000 0.193 1339 E C 1.812 178.412 176.600 0.001 0.000 0.985 1339 E CA 1.034 57.434 56.400 0.001 0.000 0.814 1339 E CB 0.109 29.811 29.700 0.004 0.000 0.752 1339 E HN 0.204 nan 8.360 nan 0.000 0.466 1340 K N -0.051 120.348 120.400 -0.001 0.000 2.097 1340 K HA -0.037 4.285 4.320 0.003 0.000 0.205 1340 K C 2.269 178.870 176.600 0.001 0.000 1.050 1340 K CA 1.020 57.309 56.287 0.003 0.000 0.938 1340 K CB 0.056 32.556 32.500 0.001 0.000 0.718 1340 K HN -0.049 nan 8.250 nan 0.000 0.442 1341 S N 1.340 117.034 115.700 -0.011 0.000 2.387 1341 S HA -0.102 4.370 4.470 0.003 0.000 0.226 1341 S C 1.759 176.341 174.600 -0.031 0.000 1.026 1341 S CA 0.771 58.957 58.200 -0.023 0.000 0.972 1341 S CB -0.123 63.053 63.200 -0.040 0.000 0.814 1341 S HN 0.192 nan 8.310 nan 0.000 0.477 1342 L N 1.618 122.822 121.223 -0.031 0.000 2.093 1342 L HA 0.079 4.421 4.340 0.003 0.000 0.208 1342 L C 1.970 178.841 176.870 0.003 0.000 1.085 1342 L CA 1.316 56.137 54.840 -0.032 0.000 0.755 1342 L CB -0.641 41.407 42.059 -0.018 0.000 0.904 1342 L HN 0.278 nan 8.230 nan 0.000 0.435 1343 L N -0.929 120.302 121.223 0.012 0.000 2.046 1343 L HA -0.153 4.189 4.340 0.003 0.000 0.208 1343 L C 2.284 179.176 176.870 0.037 0.000 1.077 1343 L CA 2.402 57.258 54.840 0.025 0.000 0.747 1343 L CB -1.108 40.964 42.059 0.023 0.000 0.896 1343 L HN 0.310 nan 8.230 nan 0.000 0.432 1344 T N -0.760 113.817 114.554 0.038 0.000 2.635 1344 T HA -0.245 4.106 4.350 0.003 0.000 0.267 1344 T C 1.947 176.695 174.700 0.080 0.000 1.040 1344 T CA 2.239 64.374 62.100 0.058 0.000 1.156 1344 T CB -0.689 68.221 68.868 0.069 0.000 0.863 1344 T HN 0.399 nan 8.240 nan 0.000 0.430 1345 V N 1.187 121.156 119.914 0.092 0.000 2.427 1345 V HA -0.042 4.080 4.120 0.003 0.000 0.248 1345 V C 2.205 178.417 176.094 0.195 0.000 1.051 1345 V CA 1.473 63.880 62.300 0.179 0.000 1.048 1345 V CB -0.813 31.102 31.823 0.153 0.000 0.666 1345 V HN 0.532 nan 8.190 nan 0.000 0.456 1346 L N -0.007 121.284 121.223 0.114 0.000 2.083 1346 L HA -0.158 4.184 4.340 0.003 0.000 0.209 1346 L C 2.790 179.719 176.870 0.097 0.000 1.083 1346 L CA 2.206 57.107 54.840 0.101 0.000 0.752 1346 L CB -0.789 41.304 42.059 0.057 0.000 0.899 1346 L HN 0.409 nan 8.230 nan 0.000 0.433 1347 E N -0.186 120.057 120.200 0.071 0.000 2.085 1347 E HA -0.251 4.101 4.350 0.003 0.000 0.194 1347 E C 2.250 178.886 176.600 0.060 0.000 0.994 1347 E CA 1.720 58.152 56.400 0.054 0.000 0.801 1347 E CB -0.173 29.549 29.700 0.036 0.000 0.743 1347 E HN 0.412 nan 8.360 nan 0.000 0.453 1348 V N -0.059 119.880 119.914 0.041 0.000 2.667 1348 V HA -0.053 4.069 4.120 0.003 0.000 0.252 1348 V C 1.998 178.207 176.094 0.192 0.000 1.065 1348 V CA 1.679 63.996 62.300 0.028 0.000 1.083 1348 V CB -0.052 31.558 31.823 -0.355 0.000 0.692 1348 V HN 0.245 nan 8.190 nan 0.000 0.468 1349 A N 0.397 123.413 122.820 0.326 0.000 1.930 1349 A HA -0.093 4.229 4.320 0.003 0.000 0.217 1349 A C 2.131 179.832 177.584 0.195 0.000 1.175 1349 A CA 2.047 54.300 52.037 0.360 0.000 0.627 1349 A CB -0.631 18.493 19.000 0.207 0.000 0.815 1349 A HN 0.702 nan 8.150 nan 0.000 0.443 1350 L N -0.175 121.121 121.223 0.122 0.000 2.072 1350 L HA -0.074 4.268 4.340 0.003 0.000 0.205 1350 L C 2.265 179.169 176.870 0.055 0.000 1.079 1350 L CA 2.511 57.400 54.840 0.081 0.000 0.752 1350 L CB -0.467 41.628 42.059 0.060 0.000 0.906 1350 L HN 0.564 nan 8.230 nan 0.000 0.436 1351 E N -0.403 119.830 120.200 0.055 0.000 2.058 1351 E HA -0.320 4.032 4.350 0.003 0.000 0.194 1351 E C 2.249 178.859 176.600 0.017 0.000 0.997 1351 E CA 1.954 58.391 56.400 0.061 0.000 0.801 1351 E CB -0.281 29.489 29.700 0.116 0.000 0.746 1351 E HN 0.614 nan 8.360 nan 0.000 0.450 1352 M N 0.240 119.726 119.600 -0.190 0.000 2.082 1352 M HA -0.228 4.254 4.480 0.003 0.000 0.258 1352 M C 2.345 178.611 176.300 -0.056 0.000 1.069 1352 M CA 1.869 56.885 55.300 -0.473 0.000 1.102 1352 M CB -0.200 31.924 32.600 -0.794 0.000 1.336 1352 M HN 0.334 nan 8.290 nan 0.000 0.404 1353 C N 0.624 119.916 119.300 -0.015 0.000 2.440 1353 C HA -0.068 4.393 4.460 0.003 0.000 0.278 1353 C C 2.483 177.462 174.990 -0.019 0.000 1.295 1353 C CA 0.669 59.693 59.018 0.011 0.000 1.738 1353 C CB -1.099 26.680 27.740 0.066 0.000 1.987 1353 C HN 0.560 nan 8.230 nan 0.000 0.492 1354 E N 0.638 120.836 120.200 -0.004 0.000 2.268 1354 E HA -0.085 4.267 4.350 0.003 0.000 0.195 1354 E C 2.091 178.660 176.600 -0.051 0.000 0.995 1354 E CA 0.662 57.050 56.400 -0.020 0.000 0.836 1354 E CB -0.346 29.356 29.700 0.002 0.000 0.763 1354 E HN 0.625 nan 8.360 nan 0.000 0.491 1355 R N -0.430 120.052 120.500 -0.029 0.000 2.313 1355 R HA 0.033 4.375 4.340 0.003 0.000 0.199 1355 R C 1.054 177.109 176.300 -0.408 0.000 0.958 1355 R CA 0.693 56.751 56.100 -0.070 0.000 1.047 1355 R CB 0.422 30.834 30.300 0.188 0.000 0.955 1355 R HN 0.249 nan 8.270 nan 0.000 0.481 1356 G N -0.029 108.523 108.800 -0.412 0.000 2.192 1356 G HA2 -0.218 3.743 3.960 0.003 0.000 0.193 1356 G HA3 -0.218 3.743 3.960 0.003 0.000 0.193 1356 G C 0.073 174.620 174.900 -0.588 0.000 0.999 1356 G CA -0.550 44.231 45.100 -0.531 0.000 0.659 1356 G HN 0.193 nan 8.290 nan 0.000 0.503 1357 F N 1.352 121.268 119.950 -0.058 0.000 2.452 1357 F HA 0.831 5.360 4.527 0.003 0.000 0.353 1357 F C 1.010 176.712 175.800 -0.163 0.000 1.089 1357 F CA -0.047 57.892 58.000 -0.101 0.000 1.080 1357 F CB 1.656 40.591 39.000 -0.108 0.000 1.399 1357 F HN 0.469 nan 8.300 nan 0.000 0.492 1358 S N -0.807 114.873 115.700 -0.034 0.000 2.661 1358 S HA 0.675 5.146 4.470 0.003 0.000 0.268 1358 S C -1.711 172.689 174.600 -0.333 0.000 1.162 1358 S CA -1.026 57.087 58.200 -0.145 0.000 0.817 1358 S CB 1.139 64.339 63.200 -0.000 0.000 1.141 1358 S HN 0.307 nan 8.310 nan 0.000 0.477 1359 F N 1.438 121.392 119.950 0.007 0.000 2.458 1359 F HA 0.618 5.148 4.527 0.004 0.000 0.336 1359 F C 0.690 176.486 175.800 -0.007 0.000 1.114 1359 F CA -0.686 57.309 58.000 -0.008 0.000 0.987 1359 F CB 1.843 40.819 39.000 -0.041 0.000 1.130 1359 F HN 0.380 nan 8.300 nan 0.000 0.458 1360 K N 1.576 122.064 120.400 0.146 0.000 2.106 1360 K HA 0.342 4.663 4.320 0.003 0.000 0.246 1360 K C -0.532 176.101 176.600 0.055 0.000 0.987 1360 K CA -0.949 55.384 56.287 0.077 0.000 0.904 1360 K CB 1.078 33.602 32.500 0.039 0.000 1.071 1360 K HN 0.576 nan 8.250 nan 0.000 0.453 1361 N N 0.263 118.979 118.700 0.027 0.000 2.381 1361 N HA 0.003 4.745 4.740 0.003 0.000 0.241 1361 N C -0.026 175.469 175.510 -0.025 0.000 1.279 1361 N CA -0.158 52.894 53.050 0.004 0.000 0.896 1361 N CB 0.130 38.618 38.487 0.003 0.000 1.118 1361 N HN 0.321 nan 8.380 nan 0.000 0.438 1362 I N 0.993 121.543 120.570 -0.033 0.000 2.948 1362 I HA -0.169 4.003 4.170 0.003 0.000 0.303 1362 I C 0.328 176.415 176.117 -0.049 0.000 1.224 1362 I CA 1.190 62.440 61.300 -0.083 0.000 1.442 1362 I CB 0.059 38.061 38.000 0.003 0.000 1.328 1362 I HN 0.477 nan 8.210 nan 0.000 0.578 1363 D N 5.491 125.827 120.400 -0.107 0.000 2.593 1363 D HA 0.132 4.774 4.640 0.003 0.000 0.251 1363 D C 0.401 176.707 176.300 0.009 0.000 1.140 1363 D CA -0.604 53.381 54.000 -0.025 0.000 0.855 1363 D CB 1.517 42.309 40.800 -0.015 0.000 1.267 1363 D HN 0.326 nan 8.370 nan 0.000 0.532 1364 L N 4.561 125.817 121.223 0.055 0.000 2.127 1364 L HA -0.102 4.240 4.340 0.003 0.000 0.211 1364 L C 0.820 177.647 176.870 -0.072 0.000 1.089 1364 L CA 1.900 56.746 54.840 0.010 0.000 0.757 1364 L CB -0.531 41.407 42.059 -0.202 0.000 0.899 1364 L HN 0.524 nan 8.230 nan 0.000 0.434 1365 Y N -1.902 118.506 120.300 0.180 0.000 2.444 1365 Y HA 0.236 4.788 4.550 0.003 0.000 0.249 1365 Y C 2.200 178.147 175.900 0.077 0.000 1.134 1365 Y CA 0.035 58.220 58.100 0.141 0.000 1.261 1365 Y CB 0.189 38.707 38.460 0.098 0.000 1.143 1365 Y HN 0.046 nan 8.280 nan 0.000 0.523 1366 R N -1.209 119.371 120.500 0.132 0.000 2.394 1366 R HA 0.236 4.577 4.340 0.003 0.000 0.220 1366 R C 0.452 176.711 176.300 -0.068 0.000 0.887 1366 R CA 0.055 56.184 56.100 0.048 0.000 1.034 1366 R CB 0.519 30.843 30.300 0.041 0.000 1.179 1366 R HN -0.081 nan 8.270 nan 0.000 0.561 1367 S N 1.680 117.257 115.700 -0.205 0.000 2.562 1367 S HA 0.108 4.580 4.470 0.003 0.000 0.281 1367 S C 0.104 174.464 174.600 -0.400 0.000 1.333 1367 S CA -0.148 57.765 58.200 -0.478 0.000 1.052 1367 S CB 0.967 63.571 63.200 -0.993 0.000 0.884 1367 S HN 0.047 nan 8.310 nan 0.000 0.506 1368 Q N 0.749 120.357 119.800 -0.320 0.000 2.207 1368 Q HA 0.537 4.879 4.340 0.003 0.000 0.237 1368 Q C 1.289 177.242 176.000 -0.079 0.000 0.998 1368 Q CA -0.514 55.220 55.803 -0.114 0.000 0.951 1368 Q CB 0.732 29.436 28.738 -0.056 0.000 1.213 1368 Q HN 0.694 nan 8.270 nan 0.000 0.499 1369 A N 0.212 123.088 122.820 0.095 0.000 1.841 1369 A HA -0.147 4.175 4.320 0.003 0.000 0.214 1369 A C 1.580 179.198 177.584 0.056 0.000 1.195 1369 A CA 2.622 54.758 52.037 0.166 0.000 0.611 1369 A CB -0.581 18.499 19.000 0.133 0.000 0.835 1369 A HN 0.795 nan 8.150 nan 0.000 0.443 1370 T N -3.685 110.885 114.554 0.027 0.000 3.016 1370 T HA 0.275 4.627 4.350 0.003 0.000 0.271 1370 T C 0.228 174.952 174.700 0.039 0.000 0.968 1370 T CA 0.348 62.468 62.100 0.033 0.000 0.891 1370 T CB 0.002 68.913 68.868 0.071 0.000 1.149 1370 T HN 0.470 nan 8.240 nan 0.000 0.524 1371 E N 0.649 120.854 120.200 0.008 0.000 2.166 1371 E HA 0.476 4.828 4.350 0.003 0.000 0.275 1371 E C -1.329 175.279 176.600 0.013 0.000 0.941 1371 E CA -1.070 55.376 56.400 0.076 0.000 0.784 1371 E CB 0.874 30.614 29.700 0.068 0.000 1.115 1371 E HN 0.295 nan 8.360 nan 0.000 0.399 1372 F N 3.922 123.894 119.950 0.035 0.000 2.506 1372 F HA 0.109 4.638 4.527 0.003 0.000 0.371 1372 F C 0.472 176.287 175.800 0.025 0.000 1.078 1372 F CA -0.369 57.651 58.000 0.034 0.000 1.195 1372 F CB 0.852 39.927 39.000 0.125 0.000 1.099 1372 F HN 0.237 nan 8.300 nan 0.000 0.548 1373 V N 2.911 122.887 119.914 0.104 0.000 2.713 1373 V HA 0.570 4.692 4.120 0.003 0.000 0.307 1373 V C -0.163 175.974 176.094 0.073 0.000 1.052 1373 V CA -1.139 61.204 62.300 0.072 0.000 0.967 1373 V CB 1.773 33.605 31.823 0.015 0.000 1.019 1373 V HN 0.552 nan 8.190 nan 0.000 0.459 1374 I N 2.962 123.566 120.570 0.056 0.000 2.371 1374 I HA 0.450 4.622 4.170 0.003 0.000 0.290 1374 I C -0.496 175.641 176.117 0.033 0.000 1.028 1374 I CA 0.453 61.778 61.300 0.041 0.000 1.345 1374 I CB 1.065 39.086 38.000 0.035 0.000 1.407 1374 I HN 0.792 nan 8.210 nan 0.000 0.501 1375 D N 5.457 125.876 120.400 0.031 0.000 2.476 1375 D HA 0.443 5.085 4.640 0.003 0.000 0.251 1375 D C 0.439 176.765 176.300 0.043 0.000 1.291 1375 D CA 0.505 54.524 54.000 0.033 0.000 0.939 1375 D CB 1.187 42.002 40.800 0.026 0.000 1.221 1375 D HN 0.715 nan 8.370 nan 0.000 0.567 1376 G N 4.625 113.454 108.800 0.049 0.000 2.660 1376 G HA2 -0.379 3.583 3.960 0.003 0.000 0.321 1376 G HA3 -0.379 3.583 3.960 0.003 0.000 0.321 1376 G C 0.802 175.760 174.900 0.097 0.000 1.246 1376 G CA 0.333 45.472 45.100 0.065 0.000 1.000 1376 G HN 0.570 nan 8.290 nan 0.000 0.550 1377 N N 1.681 120.456 118.700 0.125 0.000 2.276 1377 N HA 0.309 5.050 4.740 0.003 0.000 0.212 1377 N C 0.172 175.793 175.510 0.184 0.000 1.127 1377 N CA 0.779 53.974 53.050 0.241 0.000 0.834 1377 N CB 0.575 39.205 38.487 0.238 0.000 1.014 1377 N HN 0.386 nan 8.380 nan 0.000 0.491 1378 S N -0.158 115.584 115.700 0.069 0.000 2.704 1378 S HA 0.588 5.060 4.470 0.003 0.000 0.305 1378 S C -0.123 174.453 174.600 -0.039 0.000 1.107 1378 S CA -0.631 57.565 58.200 -0.008 0.000 0.993 1378 S CB 1.905 65.106 63.200 0.002 0.000 1.110 1378 S HN 0.012 nan 8.310 nan 0.000 0.534 1379 L N 1.727 122.890 121.223 -0.101 0.000 2.322 1379 L HA 0.562 4.904 4.340 0.003 0.000 0.281 1379 L C -0.961 175.962 176.870 0.087 0.000 1.014 1379 L CA -0.535 54.321 54.840 0.027 0.000 0.815 1379 L CB 1.215 43.316 42.059 0.070 0.000 1.247 1379 L HN 0.499 nan 8.230 nan 0.000 0.421 1380 I N 5.274 125.876 120.570 0.054 0.000 2.304 1380 I HA 0.257 4.429 4.170 0.003 0.000 0.291 1380 I C -1.959 174.047 176.117 -0.185 0.000 1.018 1380 I CA -1.902 59.377 61.300 -0.035 0.000 1.260 1380 I CB 1.519 39.475 38.000 -0.074 0.000 1.390 1380 I HN 0.287 nan 8.210 nan 0.000 0.475 1381 P HA 0.165 nan 4.420 nan 0.000 0.271 1381 P C -2.604 174.248 177.300 -0.745 0.000 1.218 1381 P CA -1.347 61.303 63.100 -0.750 0.000 0.780 1381 P CB 0.019 31.433 31.700 -0.477 0.000 0.901 1382 P HA 0.157 nan 4.420 nan 0.000 0.278 1382 P C 0.686 177.698 177.300 -0.480 0.000 1.258 1382 P CA -0.400 62.322 63.100 -0.629 0.000 0.811 1382 P CB 0.565 31.995 31.700 -0.451 0.000 1.063 1383 F N 0.860 120.695 119.950 -0.191 0.000 2.154 1383 F HA -0.228 4.301 4.527 0.003 0.000 0.301 1383 F C 2.201 177.903 175.800 -0.163 0.000 1.087 1383 F CA 2.064 59.970 58.000 -0.158 0.000 1.274 1383 F CB -1.577 37.359 39.000 -0.107 0.000 1.009 1383 F HN 0.368 nan 8.300 nan 0.000 0.485 1384 N N 0.891 119.612 118.700 0.035 0.000 2.571 1384 N HA -0.030 4.712 4.740 0.003 0.000 0.189 1384 N C 1.405 176.906 175.510 -0.015 0.000 1.154 1384 N CA 1.018 54.080 53.050 0.020 0.000 0.907 1384 N CB -0.593 37.924 38.487 0.050 0.000 0.977 1384 N HN 0.257 nan 8.380 nan 0.000 0.449 1385 A N 0.533 123.268 122.820 -0.143 0.000 2.167 1385 A HA 0.208 4.530 4.320 0.003 0.000 0.214 1385 A C 1.102 178.608 177.584 -0.129 0.000 1.151 1385 A CA -0.192 51.712 52.037 -0.221 0.000 0.735 1385 A CB -0.305 18.295 19.000 -0.666 0.000 0.802 1385 A HN 0.302 nan 8.150 nan 0.000 0.467 1386 I N 1.565 122.036 120.570 -0.165 0.000 2.588 1386 I HA 0.135 4.307 4.170 0.003 0.000 0.283 1386 I C -2.225 173.749 176.117 -0.238 0.000 1.119 1386 I CA -1.962 59.152 61.300 -0.310 0.000 1.419 1386 I CB 0.972 38.677 38.000 -0.491 0.000 1.394 1386 I HN 0.046 nan 8.210 nan 0.000 0.562 1387 P HA 0.094 nan 4.420 nan 0.000 0.268 1387 P C 0.783 178.006 177.300 -0.128 0.000 1.204 1387 P CA 0.435 63.476 63.100 -0.098 0.000 0.768 1387 P CB 0.808 32.491 31.700 -0.028 0.000 0.842 1388 G N 2.555 111.318 108.800 -0.061 0.000 2.320 1388 G HA2 -0.287 3.675 3.960 0.003 0.000 0.242 1388 G HA3 -0.287 3.675 3.960 0.003 0.000 0.242 1388 G C 0.028 174.891 174.900 -0.061 0.000 1.033 1388 G CA -0.142 44.925 45.100 -0.054 0.000 0.620 1388 G HN 0.573 nan 8.290 nan 0.000 0.517 1389 L N 2.707 123.876 121.223 -0.090 0.000 2.385 1389 L HA 0.581 4.923 4.340 0.003 0.000 0.285 1389 L C 1.272 178.126 176.870 -0.026 0.000 1.125 1389 L CA 0.188 54.985 54.840 -0.072 0.000 0.890 1389 L CB -0.008 41.991 42.059 -0.100 0.000 1.251 1389 L HN 0.342 nan 8.230 nan 0.000 0.445 1390 G N 1.629 110.421 108.800 -0.014 0.000 2.535 1390 G HA2 0.201 4.163 3.960 0.003 0.000 0.303 1390 G HA3 0.201 4.163 3.960 0.003 0.000 0.303 1390 G C 0.774 175.683 174.900 0.016 0.000 1.237 1390 G CA -0.067 45.038 45.100 0.009 0.000 0.986 1390 G HN 0.550 nan 8.290 nan 0.000 0.494 1391 T N 0.779 115.350 114.554 0.028 0.000 2.685 1391 T HA -0.212 4.139 4.350 0.003 0.000 0.268 1391 T C 2.268 176.983 174.700 0.024 0.000 1.034 1391 T CA 1.701 63.821 62.100 0.034 0.000 1.149 1391 T CB -0.212 68.679 68.868 0.038 0.000 0.860 1391 T HN 0.463 nan 8.240 nan 0.000 0.449 1392 N N 0.626 119.333 118.700 0.012 0.000 2.120 1392 N HA -0.065 4.677 4.740 0.003 0.000 0.188 1392 N C 2.027 177.532 175.510 -0.008 0.000 1.024 1392 N CA 0.949 54.002 53.050 0.005 0.000 0.852 1392 N CB -0.498 37.989 38.487 0.001 0.000 1.003 1392 N HN 0.238 nan 8.380 nan 0.000 0.424 1393 V N 1.975 121.875 119.914 -0.023 0.000 2.270 1393 V HA -0.186 3.936 4.120 0.003 0.000 0.245 1393 V C 2.550 178.601 176.094 -0.071 0.000 1.043 1393 V CA 1.708 63.975 62.300 -0.055 0.000 1.014 1393 V CB -1.016 30.763 31.823 -0.073 0.000 0.645 1393 V HN 0.262 nan 8.190 nan 0.000 0.447 1394 A N -0.782 122.020 122.820 -0.030 0.000 1.940 1394 A HA -0.383 3.939 4.320 0.003 0.000 0.221 1394 A C 2.167 179.777 177.584 0.043 0.000 1.190 1394 A CA 2.580 54.635 52.037 0.031 0.000 0.647 1394 A CB -0.594 18.473 19.000 0.111 0.000 0.821 1394 A HN 0.656 nan 8.150 nan 0.000 0.457 1395 Q N -1.292 118.529 119.800 0.034 0.000 2.123 1395 Q HA 0.033 4.375 4.340 0.003 0.000 0.199 1395 Q C 2.464 178.478 176.000 0.023 0.000 0.966 1395 Q CA 1.040 56.869 55.803 0.043 0.000 0.845 1395 Q CB -0.319 28.442 28.738 0.038 0.000 0.907 1395 Q HN 0.709 nan 8.270 nan 0.000 0.439 1396 A N 0.948 123.766 122.820 -0.004 0.000 1.902 1396 A HA -0.187 4.135 4.320 0.003 0.000 0.217 1396 A C 2.004 179.584 177.584 -0.006 0.000 1.181 1396 A CA 1.170 53.203 52.037 -0.007 0.000 0.623 1396 A CB -0.649 18.338 19.000 -0.021 0.000 0.818 1396 A HN 0.316 nan 8.150 nan 0.000 0.443 1397 I N -0.446 120.077 120.570 -0.079 0.000 2.264 1397 I HA -0.225 3.947 4.170 0.003 0.000 0.248 1397 I C 2.299 178.448 176.117 0.053 0.000 1.111 1397 I CA 1.117 62.350 61.300 -0.111 0.000 1.382 1397 I CB -0.252 37.399 38.000 -0.582 0.000 1.060 1397 I HN 0.166 nan 8.210 nan 0.000 0.418 1398 V N 0.390 120.341 119.914 0.063 0.000 2.323 1398 V HA -0.238 3.883 4.120 0.003 0.000 0.244 1398 V C 2.588 178.721 176.094 0.065 0.000 1.041 1398 V CA 1.634 64.008 62.300 0.124 0.000 1.025 1398 V CB -0.724 31.190 31.823 0.153 0.000 0.656 1398 V HN 0.361 nan 8.190 nan 0.000 0.451 1399 R N 0.128 120.655 120.500 0.046 0.000 2.112 1399 R HA -0.255 4.087 4.340 0.003 0.000 0.242 1399 R C 2.332 178.635 176.300 0.005 0.000 1.137 1399 R CA 2.050 58.165 56.100 0.025 0.000 0.944 1399 R CB -0.551 29.762 30.300 0.023 0.000 0.857 1399 R HN 0.515 nan 8.270 nan 0.000 0.435 1400 A N 1.029 123.861 122.820 0.020 0.000 1.933 1400 A HA -0.201 4.121 4.320 0.003 0.000 0.218 1400 A C 2.136 179.618 177.584 -0.170 0.000 1.175 1400 A CA 1.601 53.635 52.037 -0.006 0.000 0.628 1400 A CB -0.557 18.518 19.000 0.125 0.000 0.814 1400 A HN 0.471 nan 8.150 nan 0.000 0.444 1401 R N 0.114 120.482 120.500 -0.220 0.000 2.115 1401 R HA -0.084 4.258 4.340 0.003 0.000 0.226 1401 R C 1.555 177.750 176.300 -0.175 0.000 1.100 1401 R CA 1.522 57.362 56.100 -0.432 0.000 0.980 1401 R CB -0.321 29.812 30.300 -0.279 0.000 0.875 1401 R HN 0.631 nan 8.270 nan 0.000 0.445 1402 E N 0.523 120.681 120.200 -0.071 0.000 2.152 1402 E HA -0.165 4.187 4.350 0.003 0.000 0.192 1402 E C 1.601 178.174 176.600 -0.044 0.000 0.983 1402 E CA 0.999 57.380 56.400 -0.032 0.000 0.818 1402 E CB 0.044 29.744 29.700 0.000 0.000 0.758 1402 E HN 0.481 nan 8.360 nan 0.000 0.467 1403 E N 0.271 120.437 120.200 -0.057 0.000 2.268 1403 E HA 0.001 4.353 4.350 0.003 0.000 0.195 1403 E C 0.312 176.875 176.600 -0.061 0.000 0.995 1403 E CA 0.768 57.141 56.400 -0.045 0.000 0.836 1403 E CB 0.428 30.108 29.700 -0.034 0.000 0.763 1403 E HN 0.231 nan 8.360 nan 0.000 0.491 1404 G N 0.794 109.528 108.800 -0.110 0.000 2.238 1404 G HA2 0.013 3.974 3.960 0.003 0.000 0.276 1404 G HA3 0.013 3.974 3.960 0.003 0.000 0.276 1404 G C -1.138 173.630 174.900 -0.220 0.000 1.744 1404 G CA -0.651 44.382 45.100 -0.112 0.000 0.912 1404 G HN 0.112 nan 8.290 nan 0.000 0.744 1405 E N 1.136 121.241 120.200 -0.159 0.000 2.428 1405 E HA 0.393 4.745 4.350 0.003 0.000 0.257 1405 E C -0.827 175.657 176.600 -0.193 0.000 1.197 1405 E CA -0.293 56.000 56.400 -0.178 0.000 0.974 1405 E CB 0.705 30.428 29.700 0.038 0.000 0.976 1405 E HN 0.258 nan 8.360 nan 0.000 0.463 1406 F N 0.912 120.973 119.950 0.185 0.000 2.420 1406 F HA 0.170 4.699 4.527 0.004 0.000 0.352 1406 F C 0.923 176.788 175.800 0.108 0.000 1.108 1406 F CA -0.677 57.379 58.000 0.094 0.000 1.162 1406 F CB 0.782 39.793 39.000 0.019 0.000 1.118 1406 F HN 0.302 nan 8.300 nan 0.000 0.510 1407 L N 1.999 123.372 121.223 0.249 0.000 2.554 1407 L HA 0.206 4.547 4.340 0.003 0.000 0.225 1407 L C 0.362 177.308 176.870 0.127 0.000 1.104 1407 L CA 0.030 54.962 54.840 0.153 0.000 0.866 1407 L CB -0.290 41.828 42.059 0.100 0.000 1.047 1407 L HN 0.695 nan 8.230 nan 0.000 0.468 1408 S N -2.475 113.308 115.700 0.138 0.000 2.615 1408 S HA 0.286 4.758 4.470 0.003 0.000 0.268 1408 S C 0.155 174.786 174.600 0.051 0.000 1.146 1408 S CA -0.987 57.262 58.200 0.083 0.000 0.818 1408 S CB 1.341 64.586 63.200 0.074 0.000 1.111 1408 S HN -0.075 nan 8.310 nan 0.000 0.465 1409 K N 1.111 121.524 120.400 0.022 0.000 2.032 1409 K HA -0.152 4.170 4.320 0.003 0.000 0.209 1409 K C 1.819 178.402 176.600 -0.029 0.000 1.048 1409 K CA 1.757 58.028 56.287 -0.027 0.000 0.927 1409 K CB -0.505 31.988 32.500 -0.011 0.000 0.712 1409 K HN 0.799 nan 8.250 nan 0.000 0.441 1410 E N 1.220 121.434 120.200 0.024 0.000 2.070 1410 E HA -0.248 4.103 4.350 0.003 0.000 0.197 1410 E C 1.856 178.469 176.600 0.021 0.000 1.004 1410 E CA 1.675 58.090 56.400 0.025 0.000 0.805 1410 E CB -0.045 29.694 29.700 0.064 0.000 0.744 1410 E HN 0.203 nan 8.360 nan 0.000 0.451 1411 D N -0.012 120.422 120.400 0.056 0.000 2.104 1411 D HA -0.197 4.445 4.640 0.003 0.000 0.194 1411 D C 2.060 178.415 176.300 0.092 0.000 0.994 1411 D CA 1.049 55.110 54.000 0.102 0.000 0.830 1411 D CB -0.232 40.667 40.800 0.165 0.000 0.959 1411 D HN 0.213 nan 8.370 nan 0.000 0.452 1412 L N 0.591 121.787 121.223 -0.046 0.000 2.079 1412 L HA -0.169 4.173 4.340 0.003 0.000 0.210 1412 L C 2.184 178.877 176.870 -0.295 0.000 1.081 1412 L CA 1.916 56.475 54.840 -0.469 0.000 0.752 1412 L CB -0.915 40.677 42.059 -0.779 0.000 0.896 1412 L HN 0.180 nan 8.230 nan 0.000 0.433 1413 Q N -1.550 118.154 119.800 -0.159 0.000 2.083 1413 Q HA -0.190 4.152 4.340 0.003 0.000 0.198 1413 Q C 2.094 178.056 176.000 -0.064 0.000 0.969 1413 Q CA 1.378 57.112 55.803 -0.115 0.000 0.838 1413 Q CB 0.027 28.720 28.738 -0.075 0.000 0.900 1413 Q HN 0.611 nan 8.270 nan 0.000 0.436 1414 Q N 0.302 120.089 119.800 -0.022 0.000 2.020 1414 Q HA -0.101 4.240 4.340 0.003 0.000 0.198 1414 Q C 2.016 178.026 176.000 0.018 0.000 0.974 1414 Q CA 1.367 57.173 55.803 0.004 0.000 0.829 1414 Q CB -0.309 28.445 28.738 0.026 0.000 0.894 1414 Q HN 0.374 nan 8.270 nan 0.000 0.433 1415 R N -0.239 120.295 120.500 0.057 0.000 2.148 1415 R HA 0.019 4.361 4.340 0.003 0.000 0.223 1415 R C 2.020 178.367 176.300 0.079 0.000 1.088 1415 R CA 1.033 57.190 56.100 0.096 0.000 0.985 1415 R CB -0.154 30.253 30.300 0.178 0.000 0.880 1415 R HN 0.284 nan 8.270 nan 0.000 0.451 1416 G N 0.291 109.102 108.800 0.018 0.000 3.042 1416 G HA2 -0.057 3.904 3.960 0.003 0.000 0.212 1416 G HA3 -0.057 3.904 3.960 0.003 0.000 0.212 1416 G C 0.026 174.875 174.900 -0.085 0.000 1.166 1416 G CA -0.355 44.710 45.100 -0.058 0.000 0.767 1416 G HN 0.009 nan 8.290 nan 0.000 0.546 1417 K N -1.016 119.349 120.400 -0.058 0.000 3.125 1417 K HA -0.121 4.201 4.320 0.003 0.000 0.268 1417 K C -0.180 176.377 176.600 -0.071 0.000 1.078 1417 K CA 0.216 56.472 56.287 -0.051 0.000 0.775 1417 K CB -2.130 30.347 32.500 -0.039 0.000 1.253 1417 K HN 0.388 nan 8.250 nan 0.000 0.486 1418 L N 0.949 122.119 121.223 -0.089 0.000 2.289 1418 L HA 0.341 4.683 4.340 0.003 0.000 0.285 1418 L C 1.129 177.960 176.870 -0.064 0.000 1.049 1418 L CA -0.577 54.206 54.840 -0.096 0.000 0.804 1418 L CB 1.524 43.502 42.059 -0.135 0.000 1.195 1418 L HN 0.374 nan 8.230 nan 0.000 0.428 1419 S N 2.659 118.328 115.700 -0.052 0.000 2.587 1419 S HA 0.056 4.528 4.470 0.003 0.000 0.260 1419 S C 1.048 175.630 174.600 -0.030 0.000 1.353 1419 S CA -0.267 57.913 58.200 -0.034 0.000 0.995 1419 S CB 1.015 64.199 63.200 -0.027 0.000 0.912 1419 S HN 0.726 nan 8.310 nan 0.000 0.568 1420 K N 0.466 120.855 120.400 -0.018 0.000 2.009 1420 K HA -0.132 4.190 4.320 0.003 0.000 0.210 1420 K C 2.195 178.796 176.600 0.001 0.000 1.049 1420 K CA 2.065 58.346 56.287 -0.011 0.000 0.929 1420 K CB -0.980 31.516 32.500 -0.007 0.000 0.714 1420 K HN 0.818 nan 8.250 nan 0.000 0.440 1421 T N 2.053 116.610 114.554 0.006 0.000 2.665 1421 T HA -0.172 4.180 4.350 0.003 0.000 0.268 1421 T C 1.852 176.581 174.700 0.047 0.000 1.035 1421 T CA 1.479 63.595 62.100 0.026 0.000 1.151 1421 T CB -0.205 68.676 68.868 0.022 0.000 0.862 1421 T HN 0.156 nan 8.240 nan 0.000 0.438 1422 L N 0.480 121.711 121.223 0.013 0.000 2.056 1422 L HA -0.020 4.322 4.340 0.003 0.000 0.207 1422 L C 2.619 179.512 176.870 0.039 0.000 1.078 1422 L CA 0.748 55.592 54.840 0.006 0.000 0.749 1422 L CB -0.626 41.397 42.059 -0.060 0.000 0.901 1422 L HN 0.233 nan 8.230 nan 0.000 0.433 1423 L N 0.039 121.260 121.223 -0.003 0.000 2.013 1423 L HA -0.242 4.099 4.340 0.003 0.000 0.212 1423 L C 2.682 179.565 176.870 0.022 0.000 1.073 1423 L CA 1.908 56.738 54.840 -0.017 0.000 0.753 1423 L CB -0.687 41.349 42.059 -0.038 0.000 0.890 1423 L HN 0.372 nan 8.230 nan 0.000 0.432 1424 E N -0.600 119.622 120.200 0.037 0.000 2.085 1424 E HA -0.289 4.063 4.350 0.003 0.000 0.194 1424 E C 2.008 178.641 176.600 0.055 0.000 0.994 1424 E CA 1.352 57.773 56.400 0.035 0.000 0.801 1424 E CB -0.525 29.197 29.700 0.036 0.000 0.743 1424 E HN 0.599 nan 8.360 nan 0.000 0.453 1425 Y N 1.008 121.294 120.300 -0.023 0.000 2.128 1425 Y HA -0.228 4.324 4.550 0.003 0.000 0.284 1425 Y C 2.255 178.144 175.900 -0.017 0.000 1.154 1425 Y CA 1.824 59.914 58.100 -0.017 0.000 1.149 1425 Y CB -0.330 38.122 38.460 -0.014 0.000 0.976 1425 Y HN -0.013 nan 8.280 nan 0.000 0.505 1426 L N -0.376 120.956 121.223 0.183 0.000 2.056 1426 L HA -0.173 4.169 4.340 0.003 0.000 0.207 1426 L C 2.592 179.457 176.870 -0.009 0.000 1.078 1426 L CA 1.372 56.266 54.840 0.089 0.000 0.749 1426 L CB -0.671 41.433 42.059 0.075 0.000 0.901 1426 L HN 0.222 nan 8.230 nan 0.000 0.433 1427 E N 0.556 120.748 120.200 -0.013 0.000 2.038 1427 E HA -0.228 4.124 4.350 0.003 0.000 0.195 1427 E C 2.353 178.925 176.600 -0.046 0.000 1.000 1427 E CA 1.977 58.362 56.400 -0.025 0.000 0.803 1427 E CB -0.114 29.576 29.700 -0.017 0.000 0.750 1427 E HN 0.523 nan 8.360 nan 0.000 0.448 1428 S N 0.160 115.816 115.700 -0.073 0.000 2.442 1428 S HA -0.100 4.372 4.470 0.003 0.000 0.236 1428 S C 1.761 176.292 174.600 -0.115 0.000 1.007 1428 S CA 0.804 58.949 58.200 -0.092 0.000 0.965 1428 S CB -0.175 62.955 63.200 -0.117 0.000 0.773 1428 S HN 0.128 nan 8.310 nan 0.000 0.504 1429 R N 0.364 120.781 120.500 -0.140 0.000 2.359 1429 R HA 0.325 4.667 4.340 0.003 0.000 0.231 1429 R C 1.457 177.719 176.300 -0.063 0.000 0.913 1429 R CA 0.410 56.433 56.100 -0.128 0.000 1.075 1429 R CB 0.062 30.247 30.300 -0.191 0.000 1.087 1429 R HN 0.565 nan 8.270 nan 0.000 0.515 1430 G N 0.044 108.817 108.800 -0.044 0.000 2.184 1430 G HA2 -0.348 3.614 3.960 0.003 0.000 0.264 1430 G HA3 -0.348 3.614 3.960 0.003 0.000 0.264 1430 G C 1.042 175.942 174.900 -0.001 0.000 0.975 1430 G CA 0.376 45.466 45.100 -0.018 0.000 0.642 1430 G HN 0.435 nan 8.290 nan 0.000 0.536 1431 C N -0.349 118.949 119.300 -0.002 0.000 2.411 1431 C HA 0.080 4.542 4.460 0.003 0.000 0.279 1431 C C 2.265 177.265 174.990 0.017 0.000 1.288 1431 C CA 1.290 60.318 59.018 0.017 0.000 1.764 1431 C CB -0.709 27.050 27.740 0.032 0.000 1.974 1431 C HN 0.449 nan 8.230 nan 0.000 0.498 1432 L N 0.219 121.445 121.223 0.004 0.000 2.693 1432 L HA 0.169 4.511 4.340 0.003 0.000 0.235 1432 L C 1.470 178.352 176.870 0.021 0.000 1.127 1432 L CA 0.950 55.791 54.840 0.002 0.000 0.914 1432 L CB -1.002 41.044 42.059 -0.022 0.000 1.193 1432 L HN 0.158 nan 8.230 nan 0.000 0.502 1433 D N -0.217 120.196 120.400 0.023 0.000 2.190 1433 D HA -0.190 4.452 4.640 0.003 0.000 0.200 1433 D C 2.211 178.532 176.300 0.035 0.000 0.992 1433 D CA 1.612 55.626 54.000 0.023 0.000 0.854 1433 D CB 0.174 40.986 40.800 0.019 0.000 0.936 1433 D HN 0.355 nan 8.370 nan 0.000 0.462 1434 S N -0.909 114.826 115.700 0.058 0.000 2.607 1434 S HA 0.029 4.501 4.470 0.003 0.000 0.224 1434 S C 0.756 175.400 174.600 0.073 0.000 0.969 1434 S CA -0.144 58.098 58.200 0.070 0.000 0.927 1434 S CB -0.146 63.115 63.200 0.102 0.000 0.772 1434 S HN 0.103 nan 8.310 nan 0.000 0.533 1435 L N 2.278 123.540 121.223 0.065 0.000 2.334 1435 L HA 0.553 4.895 4.340 0.003 0.000 0.275 1435 L C -2.390 174.495 176.870 0.025 0.000 1.036 1435 L CA -2.716 52.160 54.840 0.060 0.000 0.807 1435 L CB 1.395 43.495 42.059 0.068 0.000 1.231 1435 L HN 0.028 nan 8.230 nan 0.000 0.438 1436 P HA 0.107 nan 4.420 nan 0.000 0.278 1436 P C -0.251 177.037 177.300 -0.021 0.000 1.238 1436 P CA -0.396 62.684 63.100 -0.033 0.000 0.794 1436 P CB 1.041 32.697 31.700 -0.072 0.000 0.955 1437 D N 0.693 121.081 120.400 -0.020 0.000 2.126 1437 D HA -0.172 4.470 4.640 0.003 0.000 0.190 1437 D C 0.592 176.973 176.300 0.135 0.000 1.001 1437 D CA 2.089 56.133 54.000 0.073 0.000 0.841 1437 D CB -0.077 40.828 40.800 0.174 0.000 0.949 1437 D HN 0.726 nan 8.370 nan 0.000 0.446 1438 H N -2.525 116.552 119.070 0.012 0.000 2.985 1438 H HA 0.467 5.025 4.556 0.003 0.000 0.360 1438 H C -0.700 174.639 175.328 0.018 0.000 1.221 1438 H CA -1.085 54.971 56.048 0.014 0.000 1.121 1438 H CB 0.872 30.640 29.762 0.009 0.000 1.854 1438 H HN -0.293 nan 8.280 nan 0.000 0.551 1439 N N 1.048 119.803 118.700 0.093 0.000 2.456 1439 N HA 0.053 4.795 4.740 0.003 0.000 0.288 1439 N C 0.175 175.731 175.510 0.076 0.000 1.059 1439 N CA -0.515 52.556 53.050 0.035 0.000 0.946 1439 N CB 1.841 40.358 38.487 0.049 0.000 1.150 1439 N HN 0.626 nan 8.380 nan 0.000 0.479 1440 Q N 0.611 120.427 119.800 0.026 0.000 2.424 1440 Q HA 0.221 4.563 4.340 0.003 0.000 0.204 1440 Q C 0.319 176.338 176.000 0.031 0.000 0.933 1440 Q CA 0.544 56.376 55.803 0.049 0.000 0.929 1440 Q CB 0.261 29.009 28.738 0.016 0.000 1.037 1440 Q HN 0.556 nan 8.270 nan 0.000 0.511 1441 L N -0.978 120.255 121.223 0.017 0.000 2.301 1441 L HA 0.792 5.134 4.340 0.003 0.000 0.264 1441 L C -0.173 176.699 176.870 0.004 0.000 1.016 1441 L CA -1.076 53.764 54.840 0.001 0.000 0.821 1441 L CB 1.891 43.940 42.059 -0.017 0.000 1.346 1441 L HN -0.171 nan 8.230 nan 0.000 0.429 1442 S N 0.805 116.493 115.700 -0.020 0.000 2.533 1442 S HA 0.826 5.298 4.470 0.003 0.000 0.271 1442 S C -1.197 173.355 174.600 -0.080 0.000 1.143 1442 S CA -0.775 57.414 58.200 -0.017 0.000 0.891 1442 S CB 1.918 65.125 63.200 0.013 0.000 1.105 1442 S HN 0.640 nan 8.310 nan 0.000 0.468 1443 L N 1.785 122.966 121.223 -0.070 0.000 2.359 1443 L HA 0.648 4.989 4.340 0.003 0.000 0.256 1443 L C -0.255 176.602 176.870 -0.020 0.000 1.026 1443 L CA -1.173 53.572 54.840 -0.159 0.000 0.828 1443 L CB 1.413 43.410 42.059 -0.104 0.000 1.406 1443 L HN 0.731 nan 8.230 nan 0.000 0.413 1444 F N 0.000 119.956 119.950 0.010 0.000 2.286 1444 F HA 0.000 4.529 4.527 0.003 0.000 0.279 1444 F CA 0.000 58.005 58.000 0.009 0.000 1.383 1444 F CB 0.000 39.004 39.000 0.007 0.000 1.145 1444 F HN 0.000 nan 8.300 nan 0.000 0.574