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 3l1c_1_A DATA FIRST_RESID 292 DATA SEQUENCE MHAALSTEVV HLRQRTEELL RCNEQQAAEL ETCKEQLFQS NMERKELHNT DATA SEQUENCE VMDLRGNIRV FCRIRPPLES EENRMCCTWT YHDESTVELQ SIDAXXXXXX DATA SEQUENCE GQQIFSFDQV FHPLSSQSDI FEMVSPLIQS ALDGYNICIF AYGQSGSGKT DATA SEQUENCE YTMDGVPESV GVIPRTVDLL FDSIRGYRNL GWEYEIKATF LEIYNEVLYD DATA SEQUENCE LLSNEQKDME IRMAKNNKND IYVSNITEET VLDPNHLRHL MHTAKMNXXX DATA SEQUENCE XXXXXXXXXS RSHAVTKLEL IGRHAEKQEI SVGSINLVDL AGSESPKTSX DATA SEQUENCE XXXXXXNINR SLSELTNVIL ALLQKQDHIP YRNSKLTHLL MPSLGGNSKT DATA SEQUENCE LMFINVSPFQ DCFQESVKSL RFAASVNSCK 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 292 M HA 0.000 nan 4.480 nan 0.000 0.227 292 M C 0.000 176.288 176.300 -0.019 0.000 1.140 292 M CA 0.000 55.296 55.300 -0.006 0.000 0.988 292 M CB 0.000 32.613 32.600 0.022 0.000 1.302 293 H N 2.747 121.817 119.070 0.000 0.000 2.353 293 H HA 0.011 4.567 4.556 -0.000 0.000 0.300 293 H C 1.556 176.885 175.328 0.002 0.000 1.090 293 H CA 1.966 58.015 56.048 0.001 0.000 1.327 293 H CB 0.005 29.768 29.762 0.002 0.000 1.383 293 H HN 0.846 nan 8.280 nan 0.000 0.508 294 A N 1.630 124.536 122.820 0.143 0.000 1.883 294 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 294 A C 2.737 180.348 177.584 0.045 0.000 1.186 294 A CA 1.739 53.820 52.037 0.074 0.000 0.624 294 A CB -0.906 18.126 19.000 0.053 0.000 0.822 294 A HN 0.443 nan 8.150 nan 0.000 0.444 295 A N -0.288 122.551 122.820 0.031 0.000 1.883 295 A HA -0.111 4.208 4.320 -0.000 0.000 0.217 295 A C 2.185 179.774 177.584 0.008 0.000 1.186 295 A CA 1.697 53.739 52.037 0.010 0.000 0.624 295 A CB -0.690 18.308 19.000 -0.003 0.000 0.822 295 A HN 0.490 nan 8.150 nan 0.000 0.444 296 L N -0.968 120.259 121.223 0.006 0.000 2.141 296 L HA -0.119 4.220 4.340 -0.000 0.000 0.209 296 L C 2.853 179.737 176.870 0.024 0.000 1.094 296 L CA 1.289 56.131 54.840 0.005 0.000 0.763 296 L CB -0.403 41.648 42.059 -0.014 0.000 0.908 296 L HN 0.458 nan 8.230 nan 0.000 0.437 297 S N -0.774 114.949 115.700 0.038 0.000 2.368 297 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 297 S C 1.992 176.615 174.600 0.038 0.000 1.030 297 S CA 2.016 60.242 58.200 0.043 0.000 0.999 297 S CB -0.139 63.093 63.200 0.054 0.000 0.844 297 S HN 0.432 nan 8.310 nan 0.000 0.459 298 T N 1.162 115.736 114.554 0.034 0.000 2.904 298 T HA 0.022 4.371 4.350 -0.000 0.000 0.267 298 T C 1.712 176.443 174.700 0.052 0.000 1.059 298 T CA 0.913 63.035 62.100 0.036 0.000 1.137 298 T CB -0.209 68.671 68.868 0.020 0.000 0.879 298 T HN 0.471 nan 8.240 nan 0.000 0.467 299 E N 0.503 120.726 120.200 0.039 0.000 2.150 299 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 299 E C 2.154 178.804 176.600 0.083 0.000 0.985 299 E CA 0.616 57.050 56.400 0.056 0.000 0.814 299 E CB 0.058 29.774 29.700 0.027 0.000 0.752 299 E HN 0.252 nan 8.360 nan 0.000 0.466 300 V N 0.446 120.393 119.914 0.056 0.000 2.343 300 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 300 V C 2.356 178.479 176.094 0.048 0.000 1.051 300 V CA 1.208 63.535 62.300 0.046 0.000 1.036 300 V CB -0.229 31.614 31.823 0.033 0.000 0.654 300 V HN 0.162 nan 8.190 nan 0.000 0.451 301 V N -0.154 119.794 119.914 0.057 0.000 2.358 301 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 301 V C 2.459 178.589 176.094 0.059 0.000 1.047 301 V CA 2.318 64.648 62.300 0.049 0.000 1.035 301 V CB -0.903 30.950 31.823 0.050 0.000 0.658 301 V HN 0.690 nan 8.190 nan 0.000 0.452 302 H N -0.656 118.416 119.070 0.004 0.000 2.423 302 H HA -0.083 4.473 4.556 -0.000 0.000 0.297 302 H C 2.125 177.454 175.328 0.002 0.000 1.075 302 H CA 1.368 57.418 56.048 0.003 0.000 1.342 302 H CB 0.217 29.981 29.762 0.003 0.000 1.395 302 H HN 0.281 nan 8.280 nan 0.000 0.530 303 L N 1.018 122.274 121.223 0.056 0.000 2.156 303 L HA -0.045 4.294 4.340 -0.000 0.000 0.208 303 L C 2.774 179.615 176.870 -0.048 0.000 1.095 303 L CA 1.183 56.028 54.840 0.009 0.000 0.770 303 L CB -0.513 41.576 42.059 0.050 0.000 0.914 303 L HN 0.127 nan 8.230 nan 0.000 0.439 304 R N -1.267 119.212 120.500 -0.035 0.000 2.073 304 R HA -0.126 4.214 4.340 -0.000 0.000 0.229 304 R C 2.190 178.450 176.300 -0.067 0.000 1.120 304 R CA 1.216 57.294 56.100 -0.036 0.000 0.967 304 R CB -0.186 30.104 30.300 -0.016 0.000 0.862 304 R HN 0.490 nan 8.270 nan 0.000 0.436 305 Q N -0.177 119.561 119.800 -0.103 0.000 2.050 305 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 305 Q C 2.135 178.043 176.000 -0.154 0.000 0.980 305 Q CA 1.360 57.088 55.803 -0.125 0.000 0.840 305 Q CB -0.162 28.482 28.738 -0.158 0.000 0.898 305 Q HN 0.051 nan 8.270 nan 0.000 0.424 306 R N 0.758 121.118 120.500 -0.234 0.000 2.073 306 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 306 R C 2.118 178.363 176.300 -0.091 0.000 1.134 306 R CA 2.213 58.202 56.100 -0.186 0.000 0.952 306 R CB -0.917 29.255 30.300 -0.214 0.000 0.850 306 R HN 0.192 nan 8.270 nan 0.000 0.433 307 T N 0.610 115.121 114.554 -0.071 0.000 2.708 307 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 307 T C 1.521 176.199 174.700 -0.036 0.000 1.037 307 T CA 1.597 63.673 62.100 -0.040 0.000 1.146 307 T CB -0.324 68.526 68.868 -0.029 0.000 0.865 307 T HN 0.234 nan 8.240 nan 0.000 0.435 308 E N 1.283 121.458 120.200 -0.041 0.000 2.038 308 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 308 E C 2.231 178.812 176.600 -0.032 0.000 1.000 308 E CA 1.279 57.659 56.400 -0.033 0.000 0.803 308 E CB -0.204 29.476 29.700 -0.034 0.000 0.750 308 E HN 0.554 nan 8.360 nan 0.000 0.448 309 E N -0.640 119.535 120.200 -0.042 0.000 2.265 309 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 309 E C 1.806 178.390 176.600 -0.027 0.000 0.996 309 E CA 0.427 56.805 56.400 -0.036 0.000 0.832 309 E CB 0.007 29.678 29.700 -0.047 0.000 0.756 309 E HN 0.120 nan 8.360 nan 0.000 0.491 310 L N 0.276 121.481 121.223 -0.029 0.000 2.102 310 L HA -0.058 4.281 4.340 -0.000 0.000 0.202 310 L C 2.075 178.936 176.870 -0.015 0.000 1.076 310 L CA 1.059 55.887 54.840 -0.020 0.000 0.761 310 L CB -0.250 41.796 42.059 -0.021 0.000 0.921 310 L HN 0.127 nan 8.230 nan 0.000 0.444 311 L N -0.833 120.380 121.223 -0.017 0.000 2.013 311 L HA -0.289 4.050 4.340 -0.000 0.000 0.212 311 L C 2.775 179.638 176.870 -0.011 0.000 1.073 311 L CA 1.491 56.323 54.840 -0.013 0.000 0.753 311 L CB -0.237 41.813 42.059 -0.014 0.000 0.890 311 L HN 0.232 nan 8.230 nan 0.000 0.432 312 R N -1.571 118.922 120.500 -0.012 0.000 2.092 312 R HA -0.160 4.180 4.340 -0.000 0.000 0.231 312 R C 2.335 178.631 176.300 -0.007 0.000 1.119 312 R CA 1.571 57.665 56.100 -0.009 0.000 0.970 312 R CB -0.644 29.650 30.300 -0.010 0.000 0.864 312 R HN 0.464 nan 8.270 nan 0.000 0.440 313 C N 0.827 120.123 119.300 -0.008 0.000 2.432 313 C HA -0.070 4.389 4.460 -0.000 0.000 0.277 313 C C 2.234 177.222 174.990 -0.003 0.000 1.249 313 C CA 0.799 59.814 59.018 -0.005 0.000 1.725 313 C CB -1.071 26.666 27.740 -0.005 0.000 2.028 313 C HN 0.517 nan 8.230 nan 0.000 0.477 314 N N 0.641 119.339 118.700 -0.004 0.000 2.120 314 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 314 N C 1.716 177.224 175.510 -0.003 0.000 1.024 314 N CA 1.129 54.178 53.050 -0.003 0.000 0.852 314 N CB -0.484 38.000 38.487 -0.004 0.000 1.003 314 N HN 0.627 nan 8.380 nan 0.000 0.424 315 E N 0.195 120.392 120.200 -0.004 0.000 2.077 315 E HA -0.217 4.132 4.350 -0.000 0.000 0.193 315 E C 1.736 178.334 176.600 -0.002 0.000 0.989 315 E CA 0.854 57.252 56.400 -0.004 0.000 0.800 315 E CB 0.090 29.787 29.700 -0.005 0.000 0.746 315 E HN 0.238 nan 8.360 nan 0.000 0.452 316 Q N 0.463 120.262 119.800 -0.001 0.000 2.119 316 Q HA -0.178 4.162 4.340 -0.000 0.000 0.201 316 Q C 1.942 177.944 176.000 0.003 0.000 0.972 316 Q CA 1.437 57.240 55.803 0.000 0.000 0.847 316 Q CB 0.043 28.782 28.738 0.000 0.000 0.903 316 Q HN 0.465 nan 8.270 nan 0.000 0.433 317 Q N -0.764 119.037 119.800 0.003 0.000 2.167 317 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 317 Q C 1.960 177.963 176.000 0.005 0.000 0.970 317 Q CA 1.063 56.869 55.803 0.005 0.000 0.855 317 Q CB -0.043 28.698 28.738 0.005 0.000 0.911 317 Q HN 0.373 nan 8.270 nan 0.000 0.438 318 A N 1.338 124.160 122.820 0.002 0.000 1.877 318 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 318 A C 2.331 179.916 177.584 0.002 0.000 1.186 318 A CA 1.636 53.674 52.037 0.001 0.000 0.620 318 A CB -0.809 18.190 19.000 -0.003 0.000 0.822 318 A HN 0.390 nan 8.150 nan 0.000 0.443 319 A N -0.500 122.321 122.820 0.002 0.000 1.940 319 A HA -0.175 4.144 4.320 -0.000 0.000 0.219 319 A C 1.972 179.560 177.584 0.007 0.000 1.176 319 A CA 2.214 54.253 52.037 0.003 0.000 0.631 319 A CB -0.490 18.511 19.000 0.002 0.000 0.814 319 A HN 0.579 nan 8.150 nan 0.000 0.446 320 E N -0.094 120.111 120.200 0.009 0.000 2.015 320 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 320 E C 1.900 178.511 176.600 0.017 0.000 0.991 320 E CA 1.163 57.571 56.400 0.013 0.000 0.802 320 E CB -0.386 29.322 29.700 0.013 0.000 0.759 320 E HN 0.522 nan 8.360 nan 0.000 0.447 321 L N 0.748 121.981 121.223 0.016 0.000 1.990 321 L HA -0.264 4.076 4.340 -0.000 0.000 0.213 321 L C 2.672 179.555 176.870 0.022 0.000 1.072 321 L CA 1.990 56.842 54.840 0.021 0.000 0.755 321 L CB -0.401 41.668 42.059 0.016 0.000 0.889 321 L HN 0.358 nan 8.230 nan 0.000 0.432 322 E N -0.891 119.316 120.200 0.013 0.000 2.058 322 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 322 E C 1.935 178.544 176.600 0.014 0.000 0.997 322 E CA 2.042 58.447 56.400 0.007 0.000 0.801 322 E CB 0.034 29.733 29.700 -0.003 0.000 0.746 322 E HN 0.483 nan 8.360 nan 0.000 0.450 323 T N 0.313 114.877 114.554 0.017 0.000 2.708 323 T HA -0.203 4.147 4.350 -0.000 0.000 0.266 323 T C 1.982 176.703 174.700 0.036 0.000 1.037 323 T CA 1.250 63.364 62.100 0.022 0.000 1.146 323 T CB -0.613 68.266 68.868 0.020 0.000 0.865 323 T HN 0.331 nan 8.240 nan 0.000 0.435 324 C N 1.399 120.722 119.300 0.038 0.000 2.425 324 C HA 0.001 4.461 4.460 -0.000 0.000 0.277 324 C C 2.667 177.699 174.990 0.071 0.000 1.280 324 C CA 0.702 59.750 59.018 0.050 0.000 1.744 324 C CB -0.926 26.842 27.740 0.046 0.000 1.989 324 C HN 0.522 nan 8.230 nan 0.000 0.491 325 K N 0.154 120.594 120.400 0.067 0.000 2.057 325 K HA -0.154 4.165 4.320 -0.000 0.000 0.206 325 K C 2.066 178.726 176.600 0.100 0.000 1.050 325 K CA 1.553 57.895 56.287 0.091 0.000 0.935 325 K CB -0.264 32.274 32.500 0.064 0.000 0.715 325 K HN 0.574 nan 8.250 nan 0.000 0.439 326 E N 0.850 121.086 120.200 0.061 0.000 2.077 326 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 326 E C 2.091 178.758 176.600 0.112 0.000 0.989 326 E CA 1.288 57.724 56.400 0.060 0.000 0.800 326 E CB 0.168 29.884 29.700 0.027 0.000 0.746 326 E HN 0.245 nan 8.360 nan 0.000 0.452 327 Q N -0.173 119.683 119.800 0.094 0.000 2.123 327 Q HA -0.134 4.206 4.340 -0.000 0.000 0.199 327 Q C 2.145 178.216 176.000 0.119 0.000 0.966 327 Q CA 0.673 56.532 55.803 0.094 0.000 0.845 327 Q CB 0.029 28.807 28.738 0.067 0.000 0.907 327 Q HN 0.202 nan 8.270 nan 0.000 0.439 328 L N -0.319 120.987 121.223 0.140 0.000 2.083 328 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 328 L C 1.838 178.831 176.870 0.204 0.000 1.083 328 L CA 1.625 56.560 54.840 0.158 0.000 0.752 328 L CB -0.539 41.625 42.059 0.174 0.000 0.899 328 L HN 0.181 nan 8.230 nan 0.000 0.433 329 F N -0.041 119.959 119.950 0.083 0.000 2.113 329 F HA -0.233 4.294 4.527 -0.000 0.000 0.297 329 F C 2.644 178.494 175.800 0.082 0.000 1.103 329 F CA 1.932 59.981 58.000 0.083 0.000 1.248 329 F CB -0.272 38.715 39.000 -0.021 0.000 0.999 329 F HN 0.260 nan 8.300 nan 0.000 0.475 330 Q N 0.008 119.940 119.800 0.221 0.000 2.084 330 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 330 Q C 2.401 178.428 176.000 0.045 0.000 0.978 330 Q CA 2.147 58.022 55.803 0.121 0.000 0.844 330 Q CB -0.802 28.011 28.738 0.125 0.000 0.898 330 Q HN 0.341 nan 8.270 nan 0.000 0.426 331 S N -0.365 115.370 115.700 0.057 0.000 2.382 331 S HA -0.162 4.308 4.470 -0.000 0.000 0.228 331 S C 1.755 176.362 174.600 0.013 0.000 1.027 331 S CA 1.498 59.721 58.200 0.038 0.000 0.991 331 S CB -0.443 62.787 63.200 0.051 0.000 0.823 331 S HN 0.625 nan 8.310 nan 0.000 0.469 332 N N 0.427 119.123 118.700 -0.006 0.000 2.300 332 N HA 0.113 4.853 4.740 -0.000 0.000 0.179 332 N C 1.780 177.242 175.510 -0.081 0.000 1.016 332 N CA 1.234 54.265 53.050 -0.031 0.000 0.876 332 N CB -0.259 38.223 38.487 -0.008 0.000 0.979 332 N HN 0.412 nan 8.380 nan 0.000 0.432 333 M N -0.048 119.472 119.600 -0.133 0.000 2.229 333 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 333 M C 1.356 177.641 176.300 -0.024 0.000 1.063 333 M CA 1.354 56.589 55.300 -0.108 0.000 1.114 333 M CB -0.096 32.442 32.600 -0.103 0.000 1.387 333 M HN 0.256 nan 8.290 nan 0.000 0.420 334 E N -0.603 119.595 120.200 -0.005 0.000 2.170 334 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 334 E C 2.056 178.670 176.600 0.023 0.000 0.981 334 E CA 0.336 56.746 56.400 0.017 0.000 0.830 334 E CB -0.052 29.661 29.700 0.021 0.000 0.775 334 E HN 0.355 nan 8.360 nan 0.000 0.470 335 R N 1.988 122.498 120.500 0.016 0.000 2.092 335 R HA -0.143 4.197 4.340 -0.000 0.000 0.231 335 R C 2.196 178.525 176.300 0.049 0.000 1.119 335 R CA 1.437 57.553 56.100 0.026 0.000 0.970 335 R CB -0.025 30.279 30.300 0.007 0.000 0.864 335 R HN 0.014 nan 8.270 nan 0.000 0.440 336 K N 0.691 121.109 120.400 0.030 0.000 2.057 336 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 336 K C 1.907 178.574 176.600 0.111 0.000 1.050 336 K CA 1.815 58.137 56.287 0.058 0.000 0.935 336 K CB -0.139 32.377 32.500 0.026 0.000 0.715 336 K HN 0.186 nan 8.250 nan 0.000 0.439 337 E N 0.169 120.417 120.200 0.079 0.000 2.051 337 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 337 E C 1.984 178.619 176.600 0.057 0.000 0.991 337 E CA 1.004 57.450 56.400 0.076 0.000 0.799 337 E CB 0.026 29.758 29.700 0.054 0.000 0.748 337 E HN 0.203 nan 8.360 nan 0.000 0.449 338 L N 0.519 121.773 121.223 0.052 0.000 2.046 338 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 338 L C 2.331 179.217 176.870 0.027 0.000 1.077 338 L CA 2.177 57.036 54.840 0.032 0.000 0.747 338 L CB -1.268 40.811 42.059 0.032 0.000 0.896 338 L HN 0.348 nan 8.230 nan 0.000 0.432 339 H N -0.934 118.117 119.070 -0.033 0.000 2.353 339 H HA -0.180 4.376 4.556 -0.000 0.000 0.300 339 H C 2.179 177.447 175.328 -0.099 0.000 1.090 339 H CA 2.093 58.107 56.048 -0.057 0.000 1.327 339 H CB 0.109 29.842 29.762 -0.049 0.000 1.383 339 H HN 0.344 nan 8.280 nan 0.000 0.508 340 N N -1.006 117.690 118.700 -0.007 0.000 2.244 340 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 340 N C 1.657 177.076 175.510 -0.151 0.000 1.016 340 N CA 1.702 54.655 53.050 -0.162 0.000 0.866 340 N CB -0.166 38.233 38.487 -0.146 0.000 0.980 340 N HN 0.330 nan 8.380 nan 0.000 0.430 341 T N -0.531 113.973 114.554 -0.083 0.000 2.684 341 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 341 T C 1.907 176.546 174.700 -0.102 0.000 1.036 341 T CA 1.377 63.435 62.100 -0.069 0.000 1.148 341 T CB -0.428 68.419 68.868 -0.036 0.000 0.863 341 T HN 0.022 nan 8.240 nan 0.000 0.436 342 V N 1.899 121.729 119.914 -0.139 0.000 2.332 342 V HA -0.187 3.932 4.120 -0.000 0.000 0.248 342 V C 2.581 178.568 176.094 -0.178 0.000 1.055 342 V CA 1.397 63.603 62.300 -0.156 0.000 1.038 342 V CB -0.613 31.092 31.823 -0.197 0.000 0.651 342 V HN 0.467 nan 8.190 nan 0.000 0.450 343 M N -0.560 118.891 119.600 -0.248 0.000 2.175 343 M HA -0.128 4.352 4.480 -0.000 0.000 0.264 343 M C 1.971 178.191 176.300 -0.134 0.000 1.063 343 M CA 1.510 56.684 55.300 -0.210 0.000 1.119 343 M CB -1.251 31.190 32.600 -0.265 0.000 1.377 343 M HN 0.342 nan 8.290 nan 0.000 0.415 344 D N 0.690 121.016 120.400 -0.123 0.000 2.097 344 D HA -0.102 4.538 4.640 -0.000 0.000 0.195 344 D C 2.128 178.389 176.300 -0.065 0.000 0.989 344 D CA 1.083 55.035 54.000 -0.080 0.000 0.827 344 D CB -0.187 40.577 40.800 -0.062 0.000 0.966 344 D HN 0.167 nan 8.370 nan 0.000 0.456 345 L N 0.706 121.889 121.223 -0.067 0.000 2.083 345 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 345 L C 2.326 179.166 176.870 -0.050 0.000 1.083 345 L CA 1.396 56.204 54.840 -0.053 0.000 0.752 345 L CB -0.440 41.588 42.059 -0.051 0.000 0.899 345 L HN -0.030 nan 8.230 nan 0.000 0.433 346 R N -0.586 119.880 120.500 -0.057 0.000 2.236 346 R HA 0.249 4.589 4.340 -0.000 0.000 0.208 346 R C 0.363 176.637 176.300 -0.044 0.000 1.036 346 R CA 0.671 56.747 56.100 -0.040 0.000 1.001 346 R CB -0.102 30.179 30.300 -0.032 0.000 0.896 346 R HN 0.407 nan 8.270 nan 0.000 0.464 347 G N 0.837 109.605 108.800 -0.054 0.000 3.226 347 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.685 347 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.685 347 G C -0.343 174.526 174.900 -0.052 0.000 1.207 347 G CA -0.878 44.187 45.100 -0.058 0.000 0.877 347 G HN 0.046 nan 8.290 nan 0.000 0.585 348 N N -0.033 118.641 118.700 -0.042 0.000 2.512 348 N HA -0.003 4.737 4.740 -0.000 0.000 0.183 348 N C 0.796 176.302 175.510 -0.006 0.000 1.073 348 N CA 0.881 53.916 53.050 -0.025 0.000 0.911 348 N CB 0.425 38.906 38.487 -0.011 0.000 0.964 348 N HN 0.650 nan 8.380 nan 0.000 0.447 349 I N 1.367 121.921 120.570 -0.027 0.000 2.540 349 I HA 0.250 4.420 4.170 -0.000 0.000 0.280 349 I C -1.216 174.846 176.117 -0.093 0.000 1.083 349 I CA -0.377 60.909 61.300 -0.023 0.000 1.080 349 I CB 0.645 38.640 38.000 -0.008 0.000 1.205 349 I HN -0.164 nan 8.210 nan 0.000 0.459 350 R N 5.380 125.803 120.500 -0.128 0.000 2.664 350 R HA 0.803 5.143 4.340 -0.000 0.000 0.286 350 R C -1.101 174.926 176.300 -0.455 0.000 0.967 350 R CA -0.883 55.020 56.100 -0.329 0.000 0.933 350 R CB 2.750 32.828 30.300 -0.370 0.000 1.146 350 R HN 0.350 nan 8.270 nan 0.000 0.468 351 V N 3.336 122.895 119.914 -0.592 0.000 2.531 351 V HA 0.499 4.619 4.120 -0.000 0.000 0.301 351 V C -0.950 174.895 176.094 -0.415 0.000 1.034 351 V CA -0.715 61.366 62.300 -0.366 0.000 0.865 351 V CB 1.277 33.001 31.823 -0.165 0.000 0.995 351 V HN 0.523 nan 8.190 nan 0.000 0.424 352 F N 2.490 122.551 119.950 0.184 0.000 2.556 352 F HA 0.715 5.242 4.527 -0.001 0.000 0.327 352 F C 0.219 176.129 175.800 0.183 0.000 1.059 352 F CA -0.767 57.370 58.000 0.229 0.000 0.953 352 F CB 1.607 40.633 39.000 0.044 0.000 1.227 352 F HN 0.560 nan 8.300 nan 0.000 0.478 353 C N 2.762 122.054 119.300 -0.014 0.000 2.417 353 C HA 0.799 5.258 4.460 -0.000 0.000 0.324 353 C C -0.557 174.478 174.990 0.076 0.000 1.240 353 C CA -0.583 58.198 59.018 -0.396 0.000 1.632 353 C CB 0.743 27.654 27.740 -1.382 0.000 2.241 353 C HN 0.934 nan 8.230 nan 0.000 0.499 354 R N 5.979 126.537 120.500 0.098 0.000 2.507 354 R HA 0.552 4.892 4.340 -0.000 0.000 0.298 354 R C -1.393 174.886 176.300 -0.036 0.000 1.087 354 R CA -0.462 55.699 56.100 0.102 0.000 0.917 354 R CB 0.667 31.038 30.300 0.119 0.000 1.173 354 R HN 0.851 nan 8.270 nan 0.000 0.472 355 I N 5.832 126.323 120.570 -0.132 0.000 2.325 355 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 355 I C 0.768 176.751 176.117 -0.223 0.000 1.019 355 I CA -0.544 60.592 61.300 -0.273 0.000 1.302 355 I CB 0.994 38.682 38.000 -0.520 0.000 1.401 355 I HN 0.503 nan 8.210 nan 0.000 0.485 356 R N 8.095 128.467 120.500 -0.214 0.000 2.500 356 R HA 0.549 4.889 4.340 -0.000 0.000 0.275 356 R C -2.707 173.456 176.300 -0.228 0.000 1.051 356 R CA -1.605 54.372 56.100 -0.206 0.000 1.088 356 R CB 0.418 30.607 30.300 -0.185 0.000 1.063 356 R HN 0.249 nan 8.270 nan 0.000 0.511 357 P HA 0.148 nan 4.420 nan 0.000 0.274 357 P C -2.388 174.848 177.300 -0.107 0.000 1.237 357 P CA -1.466 61.550 63.100 -0.140 0.000 0.793 357 P CB 0.188 31.826 31.700 -0.104 0.000 0.977 358 P HA 0.051 nan 4.420 nan 0.000 0.268 358 P C 0.054 177.427 177.300 0.122 0.000 1.204 358 P CA 0.051 63.221 63.100 0.117 0.000 0.768 358 P CB 0.307 32.111 31.700 0.173 0.000 0.842 359 L N 1.783 123.124 121.223 0.197 0.000 2.461 359 L HA 0.198 4.538 4.340 -0.000 0.000 0.272 359 L C 0.964 177.875 176.870 0.068 0.000 1.197 359 L CA 0.076 54.976 54.840 0.099 0.000 0.836 359 L CB -0.971 41.150 42.059 0.104 0.000 1.105 359 L HN 0.314 nan 8.230 nan 0.000 0.477 360 E N 0.524 120.744 120.200 0.034 0.000 2.511 360 E HA -0.060 4.290 4.350 -0.000 0.000 0.196 360 E C 1.509 178.121 176.600 0.020 0.000 1.066 360 E CA 0.727 57.142 56.400 0.026 0.000 0.871 360 E CB 0.002 29.710 29.700 0.015 0.000 0.863 360 E HN 0.815 nan 8.360 nan 0.000 0.520 361 S N -0.059 115.652 115.700 0.019 0.000 2.597 361 S HA 0.181 4.651 4.470 -0.000 0.000 0.224 361 S C 0.327 174.924 174.600 -0.006 0.000 0.955 361 S CA -0.345 57.858 58.200 0.005 0.000 0.933 361 S CB 0.146 63.347 63.200 0.001 0.000 0.788 361 S HN 0.063 nan 8.310 nan 0.000 0.488 362 E N 1.437 121.640 120.200 0.005 0.000 2.647 362 E HA 0.108 4.458 4.350 -0.000 0.000 0.387 362 E C 0.241 176.855 176.600 0.024 0.000 0.996 362 E CA -0.154 56.239 56.400 -0.011 0.000 0.735 362 E CB 0.119 29.775 29.700 -0.073 0.000 1.559 362 E HN 0.353 nan 8.360 nan 0.000 0.385 363 E N 2.051 122.268 120.200 0.028 0.000 2.152 363 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 363 E C -0.117 176.516 176.600 0.055 0.000 0.983 363 E CA 0.775 57.203 56.400 0.047 0.000 0.818 363 E CB -0.021 29.700 29.700 0.034 0.000 0.758 363 E HN 0.215 nan 8.360 nan 0.000 0.467 364 N N 0.807 119.526 118.700 0.031 0.000 2.804 364 N HA 0.258 4.998 4.740 -0.000 0.000 0.251 364 N C -1.520 173.991 175.510 0.002 0.000 1.250 364 N CA -0.396 52.673 53.050 0.032 0.000 0.820 364 N CB 1.415 39.916 38.487 0.023 0.000 1.156 364 N HN 0.076 nan 8.380 nan 0.000 0.512 365 R N 1.180 121.678 120.500 -0.004 0.000 2.725 365 R HA 0.516 4.856 4.340 -0.000 0.000 0.277 365 R C -0.866 175.452 176.300 0.030 0.000 0.987 365 R CA -0.827 55.212 56.100 -0.102 0.000 0.901 365 R CB 1.501 31.589 30.300 -0.353 0.000 1.207 365 R HN 0.308 nan 8.270 nan 0.000 0.463 366 M N 2.650 122.292 119.600 0.069 0.000 2.241 366 M HA 0.302 4.781 4.480 -0.000 0.000 0.335 366 M C -1.335 175.219 176.300 0.423 0.000 1.122 366 M CA 0.387 55.803 55.300 0.194 0.000 1.164 366 M CB 0.868 33.535 32.600 0.112 0.000 1.459 366 M HN 0.610 nan 8.290 nan 0.000 0.461 367 C N 3.279 122.783 119.300 0.340 0.000 2.493 367 C HA 0.748 5.208 4.460 -0.000 0.000 0.326 367 C C -0.008 175.134 174.990 0.253 0.000 1.200 367 C CA -1.222 58.015 59.018 0.364 0.000 1.739 367 C CB 0.468 28.394 27.740 0.311 0.000 2.300 367 C HN 1.069 nan 8.230 nan 0.000 0.500 368 C N 0.539 119.977 119.300 0.230 0.000 2.396 368 C HA 0.642 5.102 4.460 -0.000 0.000 0.359 368 C C 0.625 175.572 174.990 -0.071 0.000 1.307 368 C CA -0.424 58.616 59.018 0.036 0.000 2.392 368 C CB -0.568 27.169 27.740 -0.006 0.000 2.245 368 C HN 0.830 nan 8.230 nan 0.000 0.615 369 T N 1.594 116.064 114.554 -0.139 0.000 2.775 369 T HA 0.156 4.506 4.350 -0.000 0.000 0.287 369 T C -0.460 174.102 174.700 -0.229 0.000 0.909 369 T CA 0.546 62.583 62.100 -0.104 0.000 1.081 369 T CB -0.457 68.374 68.868 -0.063 0.000 0.891 369 T HN 0.645 nan 8.240 nan 0.000 0.544 370 W N 1.712 122.981 121.300 -0.052 0.000 2.375 370 W HA 0.509 5.169 4.660 -0.001 0.000 0.336 370 W C 0.776 177.121 176.519 -0.290 0.000 1.160 370 W CA -0.546 56.696 57.345 -0.172 0.000 1.266 370 W CB 1.156 30.459 29.460 -0.261 0.000 1.195 370 W HN 0.375 nan 8.180 nan 0.000 0.599 371 T N 2.123 116.627 114.554 -0.084 0.000 3.755 371 T HA 0.224 4.573 4.350 -0.000 0.000 0.327 371 T C -1.586 173.136 174.700 0.036 0.000 0.801 371 T CA -0.773 61.260 62.100 -0.112 0.000 1.026 371 T CB -0.727 68.156 68.868 0.026 0.000 1.040 371 T HN 0.194 nan 8.240 nan 0.000 0.470 372 Y N 4.928 125.386 120.300 0.264 0.000 2.680 372 Y HA 0.245 4.794 4.550 -0.000 0.000 0.356 372 Y C 1.624 177.671 175.900 0.244 0.000 1.122 372 Y CA -0.501 57.741 58.100 0.236 0.000 1.509 372 Y CB -0.274 38.254 38.460 0.113 0.000 1.245 372 Y HN 0.669 nan 8.280 nan 0.000 0.513 373 H N 1.073 120.250 119.070 0.178 0.000 2.253 373 H HA -0.111 4.445 4.556 -0.000 0.000 0.296 373 H C 0.471 175.863 175.328 0.108 0.000 1.067 373 H CA 1.727 57.845 56.048 0.117 0.000 1.245 373 H CB -0.054 29.762 29.762 0.091 0.000 1.364 373 H HN 0.716 nan 8.280 nan 0.000 0.494 374 D N -1.432 119.126 120.400 0.265 0.000 2.712 374 D HA 0.129 4.769 4.640 -0.000 0.000 0.252 374 D C 0.243 176.624 176.300 0.136 0.000 1.123 374 D CA -0.573 53.520 54.000 0.155 0.000 1.109 374 D CB 0.162 41.031 40.800 0.116 0.000 1.313 374 D HN 0.449 nan 8.370 nan 0.000 0.629 375 E N -0.752 119.495 120.200 0.078 0.000 2.403 375 E HA 0.191 4.541 4.350 -0.000 0.000 0.187 375 E C 0.064 176.691 176.600 0.045 0.000 1.073 375 E CA -0.078 56.343 56.400 0.036 0.000 0.888 375 E CB 0.011 29.709 29.700 -0.004 0.000 1.035 375 E HN 0.196 nan 8.360 nan 0.000 0.471 376 S N -0.623 115.138 115.700 0.102 0.000 2.692 376 S HA 0.088 4.557 4.470 -0.000 0.000 0.269 376 S C 0.288 175.018 174.600 0.216 0.000 1.080 376 S CA -0.160 58.123 58.200 0.139 0.000 1.058 376 S CB 1.042 64.299 63.200 0.096 0.000 0.982 376 S HN 0.202 nan 8.310 nan 0.000 0.534 377 T N 1.814 116.480 114.554 0.188 0.000 2.895 377 T HA 0.737 5.087 4.350 -0.000 0.000 0.283 377 T C -1.008 173.824 174.700 0.221 0.000 1.014 377 T CA -0.393 61.815 62.100 0.180 0.000 1.037 377 T CB 2.122 71.030 68.868 0.067 0.000 1.006 377 T HN 0.057 nan 8.240 nan 0.000 0.468 378 V N 1.513 121.560 119.914 0.223 0.000 3.120 378 V HA 0.694 4.814 4.120 -0.000 0.000 0.303 378 V C -1.642 174.582 176.094 0.217 0.000 1.238 378 V CA -0.734 61.745 62.300 0.299 0.000 1.008 378 V CB 2.285 34.360 31.823 0.421 0.000 1.064 378 V HN 0.997 nan 8.190 nan 0.000 0.434 379 E N 4.283 124.610 120.200 0.211 0.000 2.317 379 E HA 0.796 5.146 4.350 -0.000 0.000 0.270 379 E C -1.689 174.933 176.600 0.036 0.000 0.885 379 E CA -0.811 55.654 56.400 0.109 0.000 0.760 379 E CB 2.241 31.996 29.700 0.093 0.000 1.227 379 E HN 0.820 nan 8.360 nan 0.000 0.434 380 L N -0.087 121.063 121.223 -0.121 0.000 2.393 380 L HA 0.692 5.031 4.340 -0.000 0.000 0.260 380 L C -1.261 175.557 176.870 -0.087 0.000 1.002 380 L CA -0.831 53.728 54.840 -0.469 0.000 0.818 380 L CB 2.217 43.679 42.059 -0.995 0.000 1.369 380 L HN 0.538 nan 8.230 nan 0.000 0.412 381 Q N 1.061 120.841 119.800 -0.034 0.000 2.340 381 Q HA 0.495 4.835 4.340 -0.000 0.000 0.276 381 Q C -1.131 174.831 176.000 -0.062 0.000 1.048 381 Q CA -0.799 55.060 55.803 0.095 0.000 0.832 381 Q CB 2.786 31.507 28.738 -0.028 0.000 1.373 381 Q HN 0.924 nan 8.270 nan 0.000 0.409 382 S N 1.023 116.398 115.700 -0.543 0.000 2.669 382 S HA 0.509 4.979 4.470 -0.000 0.000 0.270 382 S C 0.685 175.073 174.600 -0.354 0.000 1.225 382 S CA -0.577 57.151 58.200 -0.787 0.000 0.991 382 S CB 0.830 63.111 63.200 -1.532 0.000 0.987 382 S HN 0.647 nan 8.310 nan 0.000 0.552 383 I N -0.681 119.737 120.570 -0.252 0.000 3.812 383 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 383 I C -0.017 176.023 176.117 -0.129 0.000 1.206 383 I CA 0.255 61.471 61.300 -0.140 0.000 1.370 383 I CB 0.111 38.067 38.000 -0.073 0.000 1.328 383 I HN 0.540 nan 8.210 nan 0.000 0.453 384 D N 1.759 122.079 120.400 -0.134 0.000 2.440 384 D HA 0.536 5.176 4.640 -0.000 0.000 0.252 384 D C 0.230 176.455 176.300 -0.126 0.000 1.180 384 D CA -0.216 53.723 54.000 -0.101 0.000 0.894 384 D CB 1.260 42.026 40.800 -0.058 0.000 1.111 384 D HN 0.283 nan 8.370 nan 0.000 0.544 393 Q N -0.738 119.037 119.800 -0.041 0.000 2.426 393 Q HA 0.423 4.762 4.340 -0.000 0.000 0.278 393 Q C -1.632 174.287 176.000 -0.135 0.000 1.007 393 Q CA -0.676 55.092 55.803 -0.058 0.000 0.850 393 Q CB 2.110 30.809 28.738 -0.064 0.000 1.427 393 Q HN 0.348 nan 8.270 nan 0.000 0.391 394 Q N 3.003 122.727 119.800 -0.127 0.000 2.509 394 Q HA 0.445 4.785 4.340 -0.000 0.000 0.236 394 Q C -0.921 174.834 176.000 -0.407 0.000 1.073 394 Q CA 0.017 55.658 55.803 -0.271 0.000 0.867 394 Q CB 0.706 29.435 28.738 -0.014 0.000 1.181 394 Q HN 0.609 nan 8.270 nan 0.000 0.526 395 I N 2.137 122.268 120.570 -0.731 0.000 2.500 395 I HA 0.501 4.670 4.170 -0.000 0.000 0.286 395 I C -1.741 173.970 176.117 -0.676 0.000 1.063 395 I CA -0.886 60.090 61.300 -0.541 0.000 1.062 395 I CB 0.898 38.666 38.000 -0.387 0.000 1.223 395 I HN 0.197 nan 8.210 nan 0.000 0.435 396 F N 4.588 124.546 119.950 0.013 0.000 2.520 396 F HA 0.534 5.061 4.527 -0.000 0.000 0.322 396 F C 0.220 176.078 175.800 0.096 0.000 1.103 396 F CA -0.755 57.266 58.000 0.035 0.000 0.926 396 F CB 2.196 41.290 39.000 0.156 0.000 1.154 396 F HN 0.224 nan 8.300 nan 0.000 0.453 397 S N 2.526 118.274 115.700 0.081 0.000 2.451 397 S HA 0.751 5.220 4.470 -0.000 0.000 0.301 397 S C -1.044 173.480 174.600 -0.127 0.000 1.116 397 S CA -0.474 57.770 58.200 0.073 0.000 1.093 397 S CB 0.693 63.883 63.200 -0.017 0.000 1.017 397 S HN 0.357 nan 8.310 nan 0.000 0.482 398 F N 0.470 120.425 119.950 0.008 0.000 2.654 398 F HA 0.420 4.947 4.527 -0.001 0.000 0.334 398 F C 1.393 177.143 175.800 -0.083 0.000 1.078 398 F CA -1.156 56.813 58.000 -0.051 0.000 0.986 398 F CB 0.734 39.741 39.000 0.012 0.000 1.362 398 F HN 0.408 nan 8.300 nan 0.000 0.498 399 D N -0.307 120.098 120.400 0.008 0.000 2.269 399 D HA -0.068 4.572 4.640 -0.000 0.000 0.208 399 D C 0.054 176.450 176.300 0.159 0.000 0.963 399 D CA 1.340 55.313 54.000 -0.044 0.000 0.864 399 D CB 0.482 41.092 40.800 -0.318 0.000 0.936 399 D HN 0.438 nan 8.370 nan 0.000 0.505 400 Q N -0.475 119.492 119.800 0.278 0.000 2.574 400 Q HA 0.241 4.581 4.340 -0.000 0.000 0.265 400 Q C -2.153 173.839 176.000 -0.013 0.000 0.975 400 Q CA -0.390 55.493 55.803 0.133 0.000 0.923 400 Q CB 1.887 30.696 28.738 0.119 0.000 1.518 400 Q HN -0.226 nan 8.270 nan 0.000 0.401 401 V N 4.078 123.845 119.914 -0.245 0.000 2.384 401 V HA 0.539 4.659 4.120 -0.000 0.000 0.287 401 V C -0.975 174.857 176.094 -0.436 0.000 1.020 401 V CA -0.374 61.781 62.300 -0.242 0.000 0.850 401 V CB 0.975 32.766 31.823 -0.053 0.000 0.987 401 V HN 0.613 nan 8.190 nan 0.000 0.436 402 F N 5.224 125.135 119.950 -0.064 0.000 2.385 402 F HA 0.477 5.004 4.527 -0.000 0.000 0.360 402 F C 1.127 176.775 175.800 -0.253 0.000 1.122 402 F CA -0.646 57.237 58.000 -0.195 0.000 1.090 402 F CB 0.630 39.541 39.000 -0.148 0.000 1.150 402 F HN 0.627 nan 8.300 nan 0.000 0.472 403 H N 2.529 121.511 119.070 -0.147 0.000 2.309 403 H HA 0.252 4.808 4.556 -0.000 0.000 0.341 403 H C -2.193 173.041 175.328 -0.156 0.000 1.677 403 H CA -2.330 53.558 56.048 -0.267 0.000 1.440 403 H CB -0.481 28.950 29.762 -0.553 0.000 1.693 403 H HN 0.257 nan 8.280 nan 0.000 0.608 404 P HA -0.047 nan 4.420 nan 0.000 0.230 404 P C 1.248 178.518 177.300 -0.050 0.000 1.158 404 P CA 0.649 63.701 63.100 -0.080 0.000 0.769 404 P CB 0.296 31.948 31.700 -0.079 0.000 0.807 405 L N -2.181 119.060 121.223 0.029 0.000 2.554 405 L HA 0.150 4.489 4.340 -0.000 0.000 0.225 405 L C 0.699 177.504 176.870 -0.107 0.000 1.104 405 L CA 0.752 55.614 54.840 0.037 0.000 0.866 405 L CB -1.208 40.982 42.059 0.219 0.000 1.047 405 L HN -0.161 nan 8.230 nan 0.000 0.468 406 S N 1.336 116.837 115.700 -0.332 0.000 2.525 406 S HA 0.130 4.600 4.470 -0.000 0.000 0.285 406 S C 0.894 175.421 174.600 -0.122 0.000 1.283 406 S CA -0.184 57.866 58.200 -0.250 0.000 1.072 406 S CB 0.640 63.734 63.200 -0.177 0.000 0.867 406 S HN 0.454 nan 8.310 nan 0.000 0.492 407 S N 3.532 119.184 115.700 -0.079 0.000 2.669 407 S HA 0.264 4.733 4.470 -0.000 0.000 0.270 407 S C 1.069 175.609 174.600 -0.100 0.000 1.225 407 S CA -0.816 57.349 58.200 -0.057 0.000 0.991 407 S CB 0.571 63.752 63.200 -0.031 0.000 0.987 407 S HN 0.628 nan 8.310 nan 0.000 0.552 408 Q N 1.008 120.759 119.800 -0.081 0.000 2.135 408 Q HA -0.081 4.259 4.340 -0.000 0.000 0.204 408 Q C 2.359 178.283 176.000 -0.128 0.000 0.981 408 Q CA 1.791 57.507 55.803 -0.146 0.000 0.856 408 Q CB -0.945 27.693 28.738 -0.166 0.000 0.902 408 Q HN 0.789 nan 8.270 nan 0.000 0.425 409 S N 1.558 117.216 115.700 -0.071 0.000 2.368 409 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 409 S C 1.429 176.023 174.600 -0.009 0.000 1.030 409 S CA 1.312 59.508 58.200 -0.007 0.000 0.999 409 S CB -0.237 62.966 63.200 0.006 0.000 0.844 409 S HN 0.346 nan 8.310 nan 0.000 0.459 410 D N 1.299 121.667 120.400 -0.054 0.000 2.116 410 D HA -0.100 4.540 4.640 -0.000 0.000 0.193 410 D C 1.796 177.965 176.300 -0.218 0.000 0.998 410 D CA 0.899 54.880 54.000 -0.033 0.000 0.836 410 D CB -0.415 40.403 40.800 0.029 0.000 0.951 410 D HN 0.228 nan 8.370 nan 0.000 0.449 411 I N 0.205 120.487 120.570 -0.480 0.000 2.142 411 I HA -0.209 3.961 4.170 -0.000 0.000 0.240 411 I C 2.133 178.081 176.117 -0.281 0.000 1.078 411 I CA 0.692 61.572 61.300 -0.700 0.000 1.343 411 I CB -0.719 36.827 38.000 -0.757 0.000 1.046 411 I HN -0.060 nan 8.210 nan 0.000 0.405 412 F N 1.541 121.320 119.950 -0.286 0.000 2.307 412 F HA -0.186 4.341 4.527 -0.000 0.000 0.301 412 F C 2.339 178.085 175.800 -0.090 0.000 1.076 412 F CA 1.320 59.220 58.000 -0.165 0.000 1.383 412 F CB -0.435 38.483 39.000 -0.136 0.000 1.055 412 F HN 0.202 nan 8.300 nan 0.000 0.526 413 E N -0.918 119.220 120.200 -0.103 0.000 2.401 413 E HA -0.188 4.162 4.350 -0.000 0.000 0.199 413 E C 1.887 178.390 176.600 -0.163 0.000 1.023 413 E CA 0.623 56.945 56.400 -0.131 0.000 0.859 413 E CB -0.019 29.672 29.700 -0.016 0.000 0.780 413 E HN 0.343 nan 8.360 nan 0.000 0.523 414 M N -0.743 118.751 119.600 -0.176 0.000 2.486 414 M HA -0.008 4.472 4.480 -0.000 0.000 0.264 414 M C 1.959 178.176 176.300 -0.137 0.000 1.125 414 M CA 0.697 55.910 55.300 -0.146 0.000 1.144 414 M CB 0.201 32.611 32.600 -0.317 0.000 1.353 414 M HN 0.021 nan 8.290 nan 0.000 0.466 415 V N -0.619 119.126 119.914 -0.281 0.000 2.575 415 V HA -0.087 4.032 4.120 -0.000 0.000 0.242 415 V C 2.454 178.226 176.094 -0.536 0.000 1.045 415 V CA 1.403 63.513 62.300 -0.318 0.000 1.065 415 V CB -0.695 31.004 31.823 -0.207 0.000 0.717 415 V HN 0.517 nan 8.190 nan 0.000 0.467 416 S N 1.715 116.760 115.700 -1.092 0.000 2.408 416 S HA -0.257 4.213 4.470 -0.000 0.000 0.241 416 S C 0.120 174.561 174.600 -0.265 0.000 1.080 416 S CA 2.687 60.415 58.200 -0.788 0.000 1.109 416 S CB -1.625 61.200 63.200 -0.624 0.000 0.966 416 S HN 0.488 nan 8.310 nan 0.000 0.449 417 P HA 0.018 nan 4.420 nan 0.000 0.217 417 P C 1.480 178.824 177.300 0.074 0.000 1.150 417 P CA 1.003 64.114 63.100 0.018 0.000 0.832 417 P CB -0.221 31.467 31.700 -0.021 0.000 0.787 418 L N -1.969 119.248 121.223 -0.011 0.000 2.362 418 L HA -0.127 4.213 4.340 -0.000 0.000 0.219 418 L C 1.997 178.868 176.870 0.002 0.000 1.134 418 L CA 0.704 55.554 54.840 0.017 0.000 0.807 418 L CB -0.723 41.338 42.059 0.003 0.000 0.927 418 L HN -0.063 nan 8.230 nan 0.000 0.447 419 I N -0.116 120.436 120.570 -0.031 0.000 2.315 419 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 419 I C 2.638 178.720 176.117 -0.059 0.000 1.117 419 I CA 1.224 62.507 61.300 -0.028 0.000 1.404 419 I CB -0.349 37.655 38.000 0.007 0.000 1.071 419 I HN 0.254 nan 8.210 nan 0.000 0.419 420 Q N 0.158 119.910 119.800 -0.080 0.000 2.119 420 Q HA -0.136 4.204 4.340 -0.000 0.000 0.201 420 Q C 2.257 178.149 176.000 -0.179 0.000 0.972 420 Q CA 2.056 57.751 55.803 -0.182 0.000 0.847 420 Q CB -0.202 28.306 28.738 -0.383 0.000 0.903 420 Q HN 0.396 nan 8.270 nan 0.000 0.433 421 S N 0.071 115.736 115.700 -0.059 0.000 2.368 421 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 421 S C 1.916 176.602 174.600 0.144 0.000 1.030 421 S CA 0.988 59.227 58.200 0.066 0.000 0.999 421 S CB -0.544 62.692 63.200 0.060 0.000 0.844 421 S HN 0.617 nan 8.310 nan 0.000 0.459 422 A N 1.147 123.999 122.820 0.053 0.000 1.969 422 A HA 0.056 4.376 4.320 -0.000 0.000 0.218 422 A C 1.996 179.565 177.584 -0.024 0.000 1.169 422 A CA 1.009 53.064 52.037 0.031 0.000 0.635 422 A CB -0.585 18.406 19.000 -0.014 0.000 0.810 422 A HN 0.466 nan 8.150 nan 0.000 0.445 423 L N -0.531 120.634 121.223 -0.097 0.000 2.376 423 L HA -0.059 4.281 4.340 -0.000 0.000 0.219 423 L C 0.867 177.642 176.870 -0.159 0.000 1.133 423 L CA 0.699 55.419 54.840 -0.200 0.000 0.816 423 L CB -0.196 41.644 42.059 -0.366 0.000 0.933 423 L HN 0.238 nan 8.230 nan 0.000 0.449 424 D N 0.243 120.596 120.400 -0.077 0.000 2.325 424 D HA 0.125 4.764 4.640 -0.000 0.000 0.225 424 D C 1.323 177.568 176.300 -0.092 0.000 1.096 424 D CA 0.799 54.756 54.000 -0.071 0.000 0.844 424 D CB 0.665 41.508 40.800 0.072 0.000 0.925 424 D HN 0.321 nan 8.370 nan 0.000 0.513 425 G N 0.817 109.557 108.800 -0.100 0.000 2.142 425 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.225 425 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.225 425 G C -0.324 174.385 174.900 -0.320 0.000 1.015 425 G CA -0.360 44.623 45.100 -0.195 0.000 0.716 425 G HN 0.270 nan 8.290 nan 0.000 0.508 426 Y N -0.024 120.260 120.300 -0.026 0.000 2.487 426 Y HA 0.627 5.177 4.550 -0.000 0.000 0.337 426 Y C 0.419 176.310 175.900 -0.014 0.000 1.076 426 Y CA -1.188 56.906 58.100 -0.010 0.000 1.115 426 Y CB 1.448 39.911 38.460 0.005 0.000 1.235 426 Y HN 0.087 nan 8.280 nan 0.000 0.468 427 N N 2.259 121.043 118.700 0.140 0.000 2.419 427 N HA 0.402 5.142 4.740 -0.000 0.000 0.277 427 N C -1.317 174.238 175.510 0.075 0.000 1.006 427 N CA -0.332 52.759 53.050 0.068 0.000 0.923 427 N CB 1.310 39.815 38.487 0.030 0.000 1.140 427 N HN 0.416 nan 8.380 nan 0.000 0.488 428 I N 0.929 121.521 120.570 0.038 0.000 2.562 428 I HA 0.360 4.530 4.170 -0.000 0.000 0.301 428 I C -0.222 175.879 176.117 -0.027 0.000 1.003 428 I CA -0.569 60.745 61.300 0.025 0.000 1.127 428 I CB 1.478 39.492 38.000 0.022 0.000 1.304 428 I HN 0.377 nan 8.210 nan 0.000 0.446 429 C N 6.174 125.455 119.300 -0.032 0.000 2.344 429 C HA 0.529 4.989 4.460 -0.000 0.000 0.326 429 C C -0.467 174.415 174.990 -0.179 0.000 1.201 429 C CA -0.686 58.221 59.018 -0.185 0.000 1.410 429 C CB 0.020 27.669 27.740 -0.152 0.000 2.070 429 C HN 0.362 nan 8.230 nan 0.000 0.445 430 I N 4.334 124.776 120.570 -0.213 0.000 2.307 430 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 430 I C -0.240 175.808 176.117 -0.114 0.000 1.021 430 I CA -0.156 61.132 61.300 -0.021 0.000 1.224 430 I CB 0.035 38.083 38.000 0.080 0.000 1.376 430 I HN 0.400 nan 8.210 nan 0.000 0.470 431 F N 4.000 124.064 119.950 0.189 0.000 2.425 431 F HA 0.665 5.192 4.527 -0.000 0.000 0.331 431 F C 0.565 176.525 175.800 0.266 0.000 1.085 431 F CA -0.719 57.385 58.000 0.173 0.000 1.028 431 F CB 1.892 40.966 39.000 0.124 0.000 1.177 431 F HN 0.495 nan 8.300 nan 0.000 0.487 432 A N 3.490 126.571 122.820 0.435 0.000 2.483 432 A HA 0.491 4.811 4.320 -0.000 0.000 0.308 432 A C -1.817 175.946 177.584 0.298 0.000 1.291 432 A CA -0.455 51.790 52.037 0.347 0.000 0.774 432 A CB -0.154 18.972 19.000 0.211 0.000 1.134 432 A HN 0.678 nan 8.150 nan 0.000 0.471 433 Y N 1.883 122.285 120.300 0.169 0.000 2.387 433 Y HA 0.679 5.228 4.550 -0.000 0.000 0.330 433 Y C 0.531 176.482 175.900 0.085 0.000 1.133 433 Y CA 0.607 58.749 58.100 0.070 0.000 1.152 433 Y CB 1.736 40.170 38.460 -0.043 0.000 1.215 433 Y HN 1.191 nan 8.280 nan 0.000 0.466 434 G N 3.904 112.530 108.800 -0.290 0.000 2.350 434 G HA2 0.200 4.160 3.960 -0.000 0.000 0.304 434 G HA3 0.200 4.160 3.960 -0.000 0.000 0.304 434 G C -1.990 172.818 174.900 -0.153 0.000 1.421 434 G CA -0.847 44.207 45.100 -0.078 0.000 0.934 434 G HN 0.865 nan 8.290 nan 0.000 0.632 435 Q N -0.222 119.554 119.800 -0.040 0.000 2.317 435 Q HA 0.656 4.996 4.340 -0.000 0.000 0.229 435 Q C 0.069 176.072 176.000 0.005 0.000 0.984 435 Q CA -0.275 55.515 55.803 -0.022 0.000 0.911 435 Q CB 0.931 29.687 28.738 0.030 0.000 1.217 435 Q HN 0.401 nan 8.270 nan 0.000 0.501 436 S N 0.488 116.194 115.700 0.011 0.000 2.546 436 S HA 0.314 4.784 4.470 -0.000 0.000 0.290 436 S C 0.904 175.531 174.600 0.046 0.000 1.262 436 S CA 0.628 58.842 58.200 0.023 0.000 1.083 436 S CB -0.097 63.116 63.200 0.021 0.000 0.859 436 S HN 0.958 nan 8.310 nan 0.000 0.495 437 G N 2.552 111.382 108.800 0.049 0.000 2.238 437 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.217 437 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.217 437 G C 1.205 176.148 174.900 0.072 0.000 0.996 437 G CA 0.568 45.709 45.100 0.069 0.000 0.632 437 G HN 0.992 nan 8.290 nan 0.000 0.503 438 S N 0.086 115.824 115.700 0.064 0.000 2.400 438 S HA 0.321 4.790 4.470 -0.000 0.000 0.232 438 S C 2.203 176.821 174.600 0.031 0.000 1.025 438 S CA 2.106 60.339 58.200 0.054 0.000 0.993 438 S CB -0.134 63.104 63.200 0.064 0.000 0.808 438 S HN 2.473 nan 8.310 nan 0.000 0.478 439 G N 0.458 109.283 108.800 0.042 0.000 2.174 439 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.140 439 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.140 439 G C 0.578 175.526 174.900 0.080 0.000 1.031 439 G CA 0.116 45.245 45.100 0.048 0.000 0.728 439 G HN 0.433 nan 8.290 nan 0.000 0.496 440 K N -0.024 120.419 120.400 0.071 0.000 2.032 440 K HA -0.082 4.238 4.320 -0.000 0.000 0.209 440 K C 2.533 179.166 176.600 0.056 0.000 1.048 440 K CA 2.001 58.331 56.287 0.072 0.000 0.927 440 K CB -0.258 32.283 32.500 0.069 0.000 0.712 440 K HN 0.307 nan 8.250 nan 0.000 0.441 441 T N 0.316 114.905 114.554 0.058 0.000 2.737 441 T HA -0.174 4.176 4.350 -0.000 0.000 0.265 441 T C 1.599 176.313 174.700 0.023 0.000 1.038 441 T CA 1.157 63.278 62.100 0.035 0.000 1.144 441 T CB -0.410 68.479 68.868 0.034 0.000 0.866 441 T HN 0.264 nan 8.240 nan 0.000 0.434 442 Y N 1.996 122.266 120.300 -0.049 0.000 2.333 442 Y HA -0.179 4.371 4.550 -0.000 0.000 0.290 442 Y C 2.426 178.261 175.900 -0.108 0.000 1.144 442 Y CA 1.255 59.313 58.100 -0.070 0.000 1.228 442 Y CB -0.553 37.869 38.460 -0.062 0.000 0.985 442 Y HN 0.136 nan 8.280 nan 0.000 0.542 443 T N 0.232 114.789 114.554 0.006 0.000 2.735 443 T HA -0.125 4.225 4.350 -0.000 0.000 0.256 443 T C 1.874 176.445 174.700 -0.215 0.000 1.042 443 T CA 1.527 63.544 62.100 -0.139 0.000 1.147 443 T CB -0.140 68.646 68.868 -0.136 0.000 0.865 443 T HN 0.185 nan 8.240 nan 0.000 0.421 444 M N 1.535 121.059 119.600 -0.126 0.000 2.064 444 M HA -0.007 4.472 4.480 -0.000 0.000 0.260 444 M C 1.840 178.067 176.300 -0.121 0.000 1.073 444 M CA 1.587 56.828 55.300 -0.098 0.000 1.124 444 M CB -1.005 31.577 32.600 -0.030 0.000 1.326 444 M HN 0.166 nan 8.290 nan 0.000 0.410 445 D N -1.042 119.286 120.400 -0.120 0.000 2.259 445 D HA 0.208 4.848 4.640 -0.000 0.000 0.216 445 D C 1.351 177.521 176.300 -0.217 0.000 0.961 445 D CA 1.231 55.154 54.000 -0.129 0.000 0.878 445 D CB 0.650 41.400 40.800 -0.083 0.000 1.009 445 D HN 0.401 nan 8.370 nan 0.000 0.490 446 G N 0.520 109.138 108.800 -0.303 0.000 2.512 446 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.240 446 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.240 446 G C -0.591 174.077 174.900 -0.386 0.000 1.246 446 G CA -0.111 44.645 45.100 -0.574 0.000 0.919 446 G HN 0.357 nan 8.290 nan 0.000 0.577 447 V N 2.370 122.058 119.914 -0.376 0.000 3.114 447 V HA 0.697 4.817 4.120 -0.000 0.000 0.308 447 V C -1.274 174.749 176.094 -0.117 0.000 1.168 447 V CA -0.569 61.640 62.300 -0.153 0.000 1.015 447 V CB 2.335 34.147 31.823 -0.018 0.000 1.050 447 V HN 0.721 nan 8.190 nan 0.000 0.433 448 P HA -0.154 nan 4.420 nan 0.000 0.219 448 P C 0.677 177.950 177.300 -0.044 0.000 1.146 448 P CA 1.407 64.478 63.100 -0.048 0.000 0.808 448 P CB 0.464 32.151 31.700 -0.021 0.000 0.779 449 E N -0.652 119.533 120.200 -0.026 0.000 2.285 449 E HA 0.058 4.408 4.350 -0.000 0.000 0.194 449 E C 0.713 177.296 176.600 -0.027 0.000 0.997 449 E CA 0.493 56.885 56.400 -0.013 0.000 0.845 449 E CB -0.051 29.659 29.700 0.016 0.000 0.782 449 E HN 0.022 nan 8.360 nan 0.000 0.491 450 S N 0.672 116.332 115.700 -0.065 0.000 2.413 450 S HA 0.202 4.672 4.470 -0.000 0.000 0.170 450 S C -0.495 173.958 174.600 -0.245 0.000 1.294 450 S CA -0.705 57.428 58.200 -0.111 0.000 1.201 450 S CB 0.118 63.306 63.200 -0.020 0.000 1.328 450 S HN 0.187 nan 8.310 nan 0.000 0.418 451 V N 2.286 122.076 119.914 -0.207 0.000 3.061 451 V HA 0.631 4.751 4.120 -0.000 0.000 0.306 451 V C 1.107 177.012 176.094 -0.316 0.000 1.118 451 V CA 0.608 62.762 62.300 -0.243 0.000 1.231 451 V CB -0.109 31.598 31.823 -0.194 0.000 0.956 451 V HN 0.646 nan 8.190 nan 0.000 0.499 452 G N 1.674 110.278 108.800 -0.326 0.000 2.606 452 G HA2 0.445 4.405 3.960 -0.000 0.000 0.262 452 G HA3 0.445 4.405 3.960 -0.000 0.000 0.262 452 G C 0.755 175.490 174.900 -0.275 0.000 1.394 452 G CA -0.215 44.686 45.100 -0.333 0.000 1.044 452 G HN 0.876 nan 8.290 nan 0.000 0.553 453 V N 0.293 120.076 119.914 -0.219 0.000 2.231 453 V HA -0.260 3.859 4.120 -0.000 0.000 0.250 453 V C 2.825 178.851 176.094 -0.113 0.000 1.058 453 V CA 2.169 64.402 62.300 -0.112 0.000 1.022 453 V CB -0.975 30.816 31.823 -0.054 0.000 0.640 453 V HN 0.573 nan 8.190 nan 0.000 0.445 454 I N 0.104 120.616 120.570 -0.097 0.000 2.069 454 I HA -0.202 3.968 4.170 -0.000 0.000 0.237 454 I C 0.028 176.084 176.117 -0.103 0.000 1.053 454 I CA 2.065 63.321 61.300 -0.073 0.000 1.311 454 I CB -1.737 36.235 38.000 -0.048 0.000 1.030 454 I HN 0.334 nan 8.210 nan 0.000 0.398 455 P HA -0.159 nan 4.420 nan 0.000 0.216 455 P C 1.488 178.661 177.300 -0.212 0.000 1.153 455 P CA 1.634 64.657 63.100 -0.129 0.000 0.858 455 P CB -0.068 31.549 31.700 -0.138 0.000 0.789 456 R N -1.227 119.037 120.500 -0.394 0.000 2.075 456 R HA -0.058 4.281 4.340 -0.000 0.000 0.232 456 R C 2.269 178.223 176.300 -0.576 0.000 1.126 456 R CA 1.827 57.501 56.100 -0.709 0.000 0.963 456 R CB -1.415 28.043 30.300 -1.403 0.000 0.858 456 R HN 0.177 nan 8.270 nan 0.000 0.435 457 T N 0.856 115.219 114.554 -0.319 0.000 2.665 457 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 457 T C 1.989 176.688 174.700 -0.001 0.000 1.035 457 T CA 1.708 63.843 62.100 0.059 0.000 1.151 457 T CB -0.283 68.646 68.868 0.102 0.000 0.862 457 T HN 0.006 nan 8.240 nan 0.000 0.438 458 V N 1.925 121.817 119.914 -0.036 0.000 2.295 458 V HA -0.181 3.938 4.120 -0.000 0.000 0.246 458 V C 2.394 178.544 176.094 0.092 0.000 1.049 458 V CA 1.865 64.171 62.300 0.009 0.000 1.024 458 V CB -0.687 31.189 31.823 0.088 0.000 0.648 458 V HN 0.385 nan 8.190 nan 0.000 0.447 459 D N -0.037 120.394 120.400 0.051 0.000 2.123 459 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 459 D C 1.928 178.274 176.300 0.077 0.000 0.992 459 D CA 1.257 55.302 54.000 0.075 0.000 0.833 459 D CB -0.361 40.420 40.800 -0.031 0.000 0.954 459 D HN 0.344 nan 8.370 nan 0.000 0.455 460 L N 0.253 121.501 121.223 0.042 0.000 2.056 460 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 460 L C 2.041 178.933 176.870 0.037 0.000 1.078 460 L CA 1.164 56.054 54.840 0.084 0.000 0.749 460 L CB -0.711 41.471 42.059 0.205 0.000 0.901 460 L HN -0.018 nan 8.230 nan 0.000 0.433 461 L N -1.005 120.206 121.223 -0.020 0.000 1.990 461 L HA -0.255 4.085 4.340 -0.000 0.000 0.213 461 L C 2.338 179.092 176.870 -0.194 0.000 1.072 461 L CA 2.025 56.771 54.840 -0.157 0.000 0.755 461 L CB -0.974 40.927 42.059 -0.263 0.000 0.889 461 L HN 0.231 nan 8.230 nan 0.000 0.432 462 F N -0.291 119.652 119.950 -0.012 0.000 2.146 462 F HA -0.192 4.334 4.527 -0.000 0.000 0.298 462 F C 2.462 178.269 175.800 0.010 0.000 1.096 462 F CA 1.515 59.517 58.000 0.004 0.000 1.275 462 F CB -0.664 38.343 39.000 0.011 0.000 1.008 462 F HN 0.179 nan 8.300 nan 0.000 0.480 463 D N -0.417 120.091 120.400 0.179 0.000 2.117 463 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 463 D C 2.365 178.703 176.300 0.062 0.000 0.987 463 D CA 1.584 55.648 54.000 0.106 0.000 0.829 463 D CB -0.322 40.521 40.800 0.071 0.000 0.961 463 D HN 0.158 nan 8.370 nan 0.000 0.460 464 S N 0.479 116.195 115.700 0.026 0.000 2.383 464 S HA -0.053 4.417 4.470 -0.000 0.000 0.227 464 S C 2.218 176.863 174.600 0.075 0.000 1.026 464 S CA 0.348 58.546 58.200 -0.003 0.000 0.981 464 S CB -0.012 63.173 63.200 -0.026 0.000 0.818 464 S HN 0.275 nan 8.310 nan 0.000 0.472 465 I N 1.142 121.733 120.570 0.035 0.000 2.315 465 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 465 I C 2.789 179.033 176.117 0.211 0.000 1.117 465 I CA 0.978 62.320 61.300 0.071 0.000 1.404 465 I CB -0.225 37.758 38.000 -0.028 0.000 1.071 465 I HN 0.235 nan 8.210 nan 0.000 0.419 466 R N 0.965 121.566 120.500 0.169 0.000 2.070 466 R HA -0.145 4.194 4.340 -0.000 0.000 0.232 466 R C 2.357 178.746 176.300 0.147 0.000 1.138 466 R CA 1.782 57.979 56.100 0.161 0.000 0.936 466 R CB -0.692 29.684 30.300 0.127 0.000 0.839 466 R HN 0.382 nan 8.270 nan 0.000 0.429 467 G N -0.063 108.791 108.800 0.091 0.000 2.513 467 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.219 467 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.219 467 G C 1.127 176.081 174.900 0.089 0.000 1.160 467 G CA 1.072 46.192 45.100 0.034 0.000 0.767 467 G HN 0.400 nan 8.290 nan 0.000 0.571 468 Y N 1.150 121.528 120.300 0.129 0.000 2.365 468 Y HA -0.127 4.423 4.550 -0.000 0.000 0.287 468 Y C 2.988 179.073 175.900 0.308 0.000 1.162 468 Y CA 1.304 59.546 58.100 0.238 0.000 1.260 468 Y CB -0.126 38.521 38.460 0.313 0.000 0.976 468 Y HN 0.151 nan 8.280 nan 0.000 0.548 469 R N -0.253 120.473 120.500 0.377 0.000 2.152 469 R HA -0.144 4.195 4.340 -0.000 0.000 0.232 469 R C 1.393 177.816 176.300 0.205 0.000 1.117 469 R CA 1.157 57.416 56.100 0.264 0.000 0.981 469 R CB -0.258 30.153 30.300 0.184 0.000 0.870 469 R HN 0.357 nan 8.270 nan 0.000 0.451 470 N N 0.341 119.157 118.700 0.193 0.000 2.521 470 N HA -0.057 4.682 4.740 -0.000 0.000 0.188 470 N C 0.602 176.228 175.510 0.192 0.000 1.146 470 N CA 0.820 53.958 53.050 0.147 0.000 0.893 470 N CB 0.318 38.865 38.487 0.100 0.000 0.975 470 N HN 0.142 nan 8.380 nan 0.000 0.451 471 L N -1.255 120.155 121.223 0.311 0.000 2.766 471 L HA 0.343 4.683 4.340 -0.000 0.000 0.242 471 L C 1.362 178.497 176.870 0.441 0.000 1.136 471 L CA 0.131 55.235 54.840 0.440 0.000 0.933 471 L CB 0.250 42.702 42.059 0.654 0.000 1.241 471 L HN 0.129 nan 8.230 nan 0.000 0.522 472 G N -1.881 107.019 108.800 0.168 0.000 2.157 472 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.239 472 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.239 472 G C -0.213 174.326 174.900 -0.602 0.000 0.982 472 G CA -0.407 44.506 45.100 -0.311 0.000 0.650 472 G HN 0.192 nan 8.290 nan 0.000 0.527 473 W N 0.994 122.285 121.300 -0.015 0.000 2.365 473 W HA 0.696 5.356 4.660 -0.000 0.000 0.316 473 W C 0.188 176.694 176.519 -0.022 0.000 1.164 473 W CA -0.604 56.729 57.345 -0.021 0.000 1.204 473 W CB 1.062 30.584 29.460 0.103 0.000 1.213 473 W HN -0.089 nan 8.180 nan 0.000 0.539 474 E N 2.881 123.134 120.200 0.089 0.000 2.176 474 E HA 0.280 4.630 4.350 -0.000 0.000 0.267 474 E C -1.511 175.105 176.600 0.025 0.000 0.893 474 E CA -1.082 55.373 56.400 0.091 0.000 0.761 474 E CB 1.797 31.506 29.700 0.015 0.000 1.133 474 E HN 0.351 nan 8.360 nan 0.000 0.409 475 Y N 0.564 120.930 120.300 0.111 0.000 2.468 475 Y HA 0.357 4.906 4.550 -0.000 0.000 0.342 475 Y C 0.499 176.426 175.900 0.046 0.000 1.021 475 Y CA -0.599 57.538 58.100 0.060 0.000 1.079 475 Y CB 2.052 40.515 38.460 0.005 0.000 1.226 475 Y HN 0.392 nan 8.280 nan 0.000 0.460 476 E N 2.679 123.007 120.200 0.213 0.000 2.288 476 E HA 0.614 4.964 4.350 -0.000 0.000 0.268 476 E C -1.655 175.004 176.600 0.097 0.000 0.885 476 E CA -0.662 55.819 56.400 0.134 0.000 0.767 476 E CB 1.637 31.394 29.700 0.096 0.000 1.220 476 E HN 0.574 nan 8.360 nan 0.000 0.427 477 I N 3.233 123.839 120.570 0.061 0.000 2.418 477 I HA 0.309 4.479 4.170 -0.000 0.000 0.287 477 I C -0.747 175.387 176.117 0.028 0.000 1.008 477 I CA -0.937 60.367 61.300 0.006 0.000 1.104 477 I CB 1.640 39.595 38.000 -0.074 0.000 1.264 477 I HN 0.183 nan 8.210 nan 0.000 0.438 478 K N 5.152 125.557 120.400 0.009 0.000 2.253 478 K HA 0.660 4.980 4.320 -0.000 0.000 0.277 478 K C -0.560 176.024 176.600 -0.028 0.000 1.053 478 K CA -0.184 56.112 56.287 0.015 0.000 0.892 478 K CB 1.623 34.132 32.500 0.014 0.000 1.102 478 K HN 0.658 nan 8.250 nan 0.000 0.469 479 A N 2.449 125.267 122.820 -0.003 0.000 2.330 479 A HA 0.750 5.070 4.320 -0.000 0.000 0.327 479 A C -0.644 176.915 177.584 -0.041 0.000 1.155 479 A CA -0.574 51.418 52.037 -0.076 0.000 0.803 479 A CB 0.728 19.755 19.000 0.046 0.000 1.208 479 A HN 0.708 nan 8.150 nan 0.000 0.477 480 T N -0.904 113.484 114.554 -0.276 0.000 2.993 480 T HA 0.706 5.056 4.350 -0.000 0.000 0.312 480 T C -1.135 173.361 174.700 -0.341 0.000 1.115 480 T CA -0.419 61.622 62.100 -0.099 0.000 1.027 480 T CB 0.754 69.581 68.868 -0.068 0.000 1.116 480 T HN 0.337 nan 8.240 nan 0.000 0.464 481 F N 2.945 122.882 119.950 -0.021 0.000 2.518 481 F HA 0.797 5.324 4.527 -0.000 0.000 0.323 481 F C -0.476 175.325 175.800 0.001 0.000 1.129 481 F CA -1.285 56.706 58.000 -0.016 0.000 0.920 481 F CB 1.809 40.793 39.000 -0.026 0.000 1.160 481 F HN 0.810 nan 8.300 nan 0.000 0.440 482 L N -0.375 120.939 121.223 0.151 0.000 2.409 482 L HA 0.819 5.159 4.340 -0.000 0.000 0.255 482 L C -1.214 175.740 176.870 0.140 0.000 1.027 482 L CA -0.916 54.004 54.840 0.133 0.000 0.834 482 L CB 2.306 44.416 42.059 0.085 0.000 1.426 482 L HN 0.570 nan 8.230 nan 0.000 0.411 483 E N 0.954 121.260 120.200 0.176 0.000 2.248 483 E HA 0.633 4.983 4.350 -0.000 0.000 0.267 483 E C -1.645 175.118 176.600 0.273 0.000 0.877 483 E CA -0.713 55.798 56.400 0.186 0.000 0.759 483 E CB 2.031 31.801 29.700 0.117 0.000 1.182 483 E HN 0.744 nan 8.360 nan 0.000 0.418 484 I N 4.819 125.536 120.570 0.245 0.000 2.359 484 I HA 0.227 4.397 4.170 -0.000 0.000 0.284 484 I C -1.257 174.994 176.117 0.222 0.000 1.018 484 I CA -0.805 60.647 61.300 0.253 0.000 1.173 484 I CB 0.730 38.878 38.000 0.247 0.000 1.326 484 I HN 0.489 nan 8.210 nan 0.000 0.462 485 Y N 6.472 126.870 120.300 0.164 0.000 2.338 485 Y HA 0.319 4.869 4.550 -0.000 0.000 0.328 485 Y C 0.178 176.145 175.900 0.113 0.000 0.965 485 Y CA -1.367 56.772 58.100 0.067 0.000 1.208 485 Y CB 0.846 39.306 38.460 -0.001 0.000 1.132 485 Y HN 0.657 nan 8.280 nan 0.000 0.469 486 N N 4.721 123.239 118.700 -0.304 0.000 2.708 486 N HA -0.195 4.545 4.740 -0.000 0.000 0.255 486 N C -0.611 174.860 175.510 -0.065 0.000 1.046 486 N CA 0.969 53.865 53.050 -0.256 0.000 0.715 486 N CB -0.490 37.772 38.487 -0.376 0.000 0.895 486 N HN 0.663 nan 8.380 nan 0.000 0.545 487 E N -3.329 116.865 120.200 -0.009 0.000 2.660 487 E HA -0.233 4.116 4.350 -0.000 0.000 0.260 487 E C -0.731 175.894 176.600 0.040 0.000 1.122 487 E CA 1.070 57.493 56.400 0.038 0.000 0.755 487 E CB -1.268 28.447 29.700 0.026 0.000 1.345 487 E HN 0.415 nan 8.360 nan 0.000 0.421 488 V N 1.239 121.193 119.914 0.066 0.000 2.483 488 V HA 0.336 4.456 4.120 -0.000 0.000 0.297 488 V C 0.650 176.737 176.094 -0.012 0.000 1.027 488 V CA -0.677 61.616 62.300 -0.011 0.000 0.855 488 V CB 1.706 33.505 31.823 -0.040 0.000 0.995 488 V HN 0.088 nan 8.190 nan 0.000 0.424 489 L N 5.151 126.310 121.223 -0.106 0.000 2.417 489 L HA 0.483 4.823 4.340 -0.000 0.000 0.268 489 L C -1.014 175.712 176.870 -0.240 0.000 1.158 489 L CA -0.141 54.674 54.840 -0.041 0.000 0.819 489 L CB 0.359 42.397 42.059 -0.035 0.000 1.112 489 L HN 0.516 nan 8.230 nan 0.000 0.458 490 Y N -0.151 120.177 120.300 0.046 0.000 2.457 490 Y HA 0.240 4.789 4.550 -0.000 0.000 0.343 490 Y C -0.270 175.649 175.900 0.031 0.000 0.994 490 Y CA -1.119 57.002 58.100 0.035 0.000 1.031 490 Y CB 1.653 40.134 38.460 0.035 0.000 1.246 490 Y HN 0.448 nan 8.280 nan 0.000 0.449 491 D N 3.063 123.553 120.400 0.150 0.000 2.317 491 D HA 0.190 4.830 4.640 -0.000 0.000 0.252 491 D C 0.286 176.647 176.300 0.103 0.000 1.174 491 D CA 0.175 54.238 54.000 0.104 0.000 0.866 491 D CB 1.250 42.087 40.800 0.061 0.000 1.127 491 D HN 0.697 nan 8.370 nan 0.000 0.467 492 L N 3.693 124.975 121.223 0.098 0.000 2.591 492 L HA 0.117 4.456 4.340 -0.000 0.000 0.228 492 L C 1.762 178.612 176.870 -0.034 0.000 1.133 492 L CA 0.074 54.937 54.840 0.039 0.000 0.880 492 L CB 0.231 42.325 42.059 0.058 0.000 1.033 492 L HN 0.385 nan 8.230 nan 0.000 0.450 493 L N -1.002 120.218 121.223 -0.005 0.000 2.640 493 L HA 0.166 4.506 4.340 -0.000 0.000 0.230 493 L C 0.744 177.606 176.870 -0.013 0.000 1.123 493 L CA 0.001 54.812 54.840 -0.049 0.000 0.900 493 L CB 0.375 42.429 42.059 -0.007 0.000 1.146 493 L HN 0.273 nan 8.230 nan 0.000 0.484 494 S N -2.677 113.028 115.700 0.008 0.000 2.632 494 S HA 0.272 4.742 4.470 -0.000 0.000 0.289 494 S C 0.214 174.825 174.600 0.019 0.000 1.115 494 S CA -0.743 57.467 58.200 0.017 0.000 0.889 494 S CB 1.930 65.147 63.200 0.028 0.000 1.116 494 S HN 0.088 nan 8.310 nan 0.000 0.486 495 N N 0.447 119.159 118.700 0.019 0.000 2.407 495 N HA -0.020 4.720 4.740 -0.000 0.000 0.182 495 N C 0.102 175.630 175.510 0.030 0.000 1.079 495 N CA 0.067 53.128 53.050 0.019 0.000 0.882 495 N CB 0.120 38.613 38.487 0.011 0.000 1.106 495 N HN 0.878 nan 8.380 nan 0.000 0.461 496 E N 2.235 122.452 120.200 0.028 0.000 2.498 496 E HA -0.114 4.235 4.350 -0.000 0.000 0.252 496 E C -0.219 176.404 176.600 0.038 0.000 1.025 496 E CA -0.117 56.300 56.400 0.029 0.000 0.938 496 E CB 0.383 30.097 29.700 0.023 0.000 0.947 496 E HN 0.223 nan 8.360 nan 0.000 0.478 497 Q N 5.046 124.872 119.800 0.043 0.000 2.289 497 Q HA 0.023 4.362 4.340 -0.000 0.000 0.273 497 Q C -0.750 175.265 176.000 0.025 0.000 1.029 497 Q CA 0.667 56.502 55.803 0.053 0.000 0.896 497 Q CB 0.606 29.380 28.738 0.060 0.000 1.182 497 Q HN 0.704 nan 8.270 nan 0.000 0.385 498 K N 2.495 122.898 120.400 0.004 0.000 2.308 498 K HA 0.548 4.867 4.320 -0.000 0.000 0.268 498 K C -1.302 175.261 176.600 -0.062 0.000 0.992 498 K CA -0.967 55.308 56.287 -0.020 0.000 0.836 498 K CB 0.832 33.325 32.500 -0.012 0.000 1.507 498 K HN 0.284 nan 8.250 nan 0.000 0.394 499 D N 0.644 121.009 120.400 -0.057 0.000 2.649 499 D HA 0.413 5.053 4.640 -0.000 0.000 0.249 499 D C -1.016 175.243 176.300 -0.069 0.000 1.112 499 D CA -0.309 53.644 54.000 -0.078 0.000 0.850 499 D CB 1.841 42.609 40.800 -0.053 0.000 1.399 499 D HN 0.397 nan 8.370 nan 0.000 0.503 500 M N 1.998 121.544 119.600 -0.089 0.000 2.142 500 M HA 0.277 4.757 4.480 -0.000 0.000 0.299 500 M C -0.452 175.805 176.300 -0.071 0.000 0.960 500 M CA -0.830 54.421 55.300 -0.083 0.000 0.920 500 M CB 2.414 34.960 32.600 -0.091 0.000 1.541 500 M HN -0.034 nan 8.290 nan 0.000 0.429 501 E N 3.248 123.416 120.200 -0.053 0.000 2.212 501 E HA 0.525 4.874 4.350 -0.000 0.000 0.270 501 E C -0.583 175.992 176.600 -0.041 0.000 0.956 501 E CA -0.621 55.765 56.400 -0.023 0.000 0.825 501 E CB 2.298 32.006 29.700 0.013 0.000 1.167 501 E HN 0.661 nan 8.360 nan 0.000 0.400 502 I N 3.083 123.631 120.570 -0.038 0.000 2.294 502 I HA 0.181 4.351 4.170 -0.000 0.000 0.295 502 I C 0.637 176.738 176.117 -0.026 0.000 1.098 502 I CA -0.036 61.183 61.300 -0.135 0.000 1.277 502 I CB 0.142 37.914 38.000 -0.379 0.000 1.434 502 I HN 0.084 nan 8.210 nan 0.000 0.498 503 R N 5.047 125.583 120.500 0.061 0.000 2.782 503 R HA 0.669 5.009 4.340 -0.000 0.000 0.258 503 R C -0.429 175.961 176.300 0.150 0.000 1.055 503 R CA -1.038 55.154 56.100 0.154 0.000 1.065 503 R CB 1.337 31.779 30.300 0.237 0.000 1.172 503 R HN 0.423 nan 8.270 nan 0.000 0.510 504 M N 1.311 120.980 119.600 0.116 0.000 2.243 504 M HA 0.203 4.683 4.480 -0.000 0.000 0.341 504 M C 0.545 176.860 176.300 0.024 0.000 1.130 504 M CA -0.084 55.261 55.300 0.073 0.000 1.162 504 M CB 1.010 33.638 32.600 0.048 0.000 1.497 504 M HN 0.718 nan 8.290 nan 0.000 0.456 505 A N 2.373 125.201 122.820 0.013 0.000 2.364 505 A HA 0.075 4.395 4.320 -0.000 0.000 0.258 505 A C 1.142 178.642 177.584 -0.139 0.000 1.131 505 A CA 0.111 52.118 52.037 -0.049 0.000 0.800 505 A CB 0.215 19.212 19.000 -0.005 0.000 1.086 505 A HN 1.000 nan 8.150 nan 0.000 0.508 506 K N -0.895 119.396 120.400 -0.182 0.000 2.099 506 K HA -0.020 4.299 4.320 -0.000 0.000 0.203 506 K C 0.669 177.217 176.600 -0.088 0.000 1.047 506 K CA 1.383 57.572 56.287 -0.164 0.000 0.963 506 K CB -0.123 32.267 32.500 -0.183 0.000 0.759 506 K HN 0.676 nan 8.250 nan 0.000 0.451 507 N N 1.048 119.710 118.700 -0.063 0.000 2.313 507 N HA 0.064 4.804 4.740 -0.000 0.000 0.207 507 N C -1.317 174.174 175.510 -0.031 0.000 1.141 507 N CA 0.055 53.080 53.050 -0.041 0.000 0.830 507 N CB 0.420 38.889 38.487 -0.030 0.000 1.008 507 N HN 0.251 nan 8.380 nan 0.000 0.481 508 N N -0.343 118.337 118.700 -0.033 0.000 3.270 508 N HA -0.032 4.707 4.740 -0.000 0.000 0.227 508 N C -0.210 175.290 175.510 -0.017 0.000 1.071 508 N CA -0.267 52.770 53.050 -0.022 0.000 1.073 508 N CB 0.670 39.145 38.487 -0.020 0.000 1.633 508 N HN -0.008 nan 8.380 nan 0.000 0.664 509 K N 1.729 122.123 120.400 -0.011 0.000 2.574 509 K HA 0.025 4.345 4.320 -0.000 0.000 0.193 509 K C 0.333 176.937 176.600 0.006 0.000 1.035 509 K CA 0.973 57.260 56.287 0.001 0.000 0.982 509 K CB -0.085 32.417 32.500 0.003 0.000 0.795 509 K HN 0.461 nan 8.250 nan 0.000 0.491 510 N N 0.283 118.980 118.700 -0.006 0.000 2.454 510 N HA -0.007 4.733 4.740 -0.000 0.000 0.177 510 N C -0.448 175.047 175.510 -0.025 0.000 1.049 510 N CA -0.260 52.779 53.050 -0.019 0.000 0.887 510 N CB 0.327 38.797 38.487 -0.029 0.000 1.095 510 N HN 0.151 nan 8.380 nan 0.000 0.446 511 D N 0.759 121.149 120.400 -0.016 0.000 2.360 511 D HA 0.172 4.811 4.640 -0.000 0.000 0.242 511 D C -0.224 176.080 176.300 0.007 0.000 1.184 511 D CA 0.018 54.011 54.000 -0.012 0.000 0.930 511 D CB 1.117 41.914 40.800 -0.005 0.000 1.161 511 D HN -0.083 nan 8.370 nan 0.000 0.447 512 I N 0.112 120.685 120.570 0.006 0.000 2.793 512 I HA 0.417 4.587 4.170 -0.000 0.000 0.313 512 I C -1.156 175.022 176.117 0.101 0.000 0.998 512 I CA -0.769 60.536 61.300 0.008 0.000 1.140 512 I CB 1.166 39.125 38.000 -0.069 0.000 1.327 512 I HN 0.293 nan 8.210 nan 0.000 0.491 513 Y N 3.776 124.027 120.300 -0.082 0.000 2.358 513 Y HA 0.551 5.101 4.550 -0.000 0.000 0.324 513 Y C -1.640 174.222 175.900 -0.064 0.000 1.123 513 Y CA -0.821 57.246 58.100 -0.055 0.000 1.067 513 Y CB 1.490 39.930 38.460 -0.033 0.000 1.230 513 Y HN 0.187 nan 8.280 nan 0.000 0.429 514 V N 6.355 125.977 119.914 -0.486 0.000 2.294 514 V HA 0.267 4.387 4.120 -0.000 0.000 0.272 514 V C -0.084 175.654 176.094 -0.593 0.000 1.027 514 V CA -0.476 61.584 62.300 -0.400 0.000 0.823 514 V CB 0.877 32.560 31.823 -0.234 0.000 1.030 514 V HN 0.824 nan 8.190 nan 0.000 0.457 515 S N 3.592 119.014 115.700 -0.464 0.000 2.562 515 S HA 0.207 4.676 4.470 -0.000 0.000 0.281 515 S C 0.631 175.126 174.600 -0.175 0.000 1.333 515 S CA 0.097 58.109 58.200 -0.315 0.000 1.052 515 S CB -0.208 62.956 63.200 -0.060 0.000 0.884 515 S HN 0.920 nan 8.310 nan 0.000 0.506 516 N N -0.971 117.658 118.700 -0.118 0.000 2.782 516 N HA -0.186 4.554 4.740 -0.000 0.000 0.251 516 N C -0.718 174.754 175.510 -0.064 0.000 1.101 516 N CA 0.592 53.604 53.050 -0.062 0.000 0.764 516 N CB -1.299 37.162 38.487 -0.042 0.000 1.122 516 N HN 0.679 nan 8.380 nan 0.000 0.561 517 I N 0.684 121.195 120.570 -0.099 0.000 2.566 517 I HA 0.201 4.371 4.170 -0.000 0.000 0.303 517 I C 0.316 176.421 176.117 -0.022 0.000 0.983 517 I CA 0.023 61.285 61.300 -0.064 0.000 1.235 517 I CB 1.421 39.358 38.000 -0.105 0.000 1.386 517 I HN -0.059 nan 8.210 nan 0.000 0.494 518 T N 6.093 120.660 114.554 0.022 0.000 2.747 518 T HA 0.208 4.558 4.350 -0.000 0.000 0.301 518 T C -0.286 174.457 174.700 0.071 0.000 0.952 518 T CA -0.238 61.892 62.100 0.051 0.000 0.983 518 T CB -0.186 68.723 68.868 0.068 0.000 0.930 518 T HN 0.545 nan 8.240 nan 0.000 0.494 519 E N 3.879 124.115 120.200 0.059 0.000 2.070 519 E HA 0.135 4.484 4.350 -0.000 0.000 0.261 519 E C -0.303 176.354 176.600 0.096 0.000 0.926 519 E CA -0.616 55.823 56.400 0.065 0.000 0.760 519 E CB 0.476 30.199 29.700 0.039 0.000 1.133 519 E HN 0.429 nan 8.360 nan 0.000 0.420 520 E N 2.512 122.787 120.200 0.126 0.000 2.331 520 E HA 0.151 4.500 4.350 -0.000 0.000 0.272 520 E C -0.587 176.104 176.600 0.150 0.000 1.036 520 E CA -0.126 56.371 56.400 0.162 0.000 0.864 520 E CB 1.698 31.494 29.700 0.160 0.000 1.035 520 E HN 0.361 nan 8.360 nan 0.000 0.408 521 T N 1.838 116.514 114.554 0.204 0.000 3.029 521 T HA 0.184 4.534 4.350 -0.000 0.000 0.346 521 T C 0.151 175.015 174.700 0.274 0.000 1.211 521 T CA -0.559 61.648 62.100 0.178 0.000 1.009 521 T CB 0.177 69.129 68.868 0.139 0.000 1.084 521 T HN 0.145 nan 8.240 nan 0.000 0.536 522 V N 5.182 125.234 119.914 0.230 0.000 2.703 522 V HA -0.084 4.036 4.120 -0.000 0.000 0.300 522 V C 1.460 177.793 176.094 0.398 0.000 1.063 522 V CA 0.220 62.715 62.300 0.326 0.000 1.240 522 V CB -0.214 31.743 31.823 0.224 0.000 0.845 522 V HN 0.733 nan 8.190 nan 0.000 0.476 523 L N 3.655 125.177 121.223 0.499 0.000 2.162 523 L HA 0.170 4.510 4.340 -0.000 0.000 0.205 523 L C 0.744 177.744 176.870 0.216 0.000 1.086 523 L CA 1.600 56.584 54.840 0.239 0.000 0.778 523 L CB -0.647 41.457 42.059 0.076 0.000 0.928 523 L HN 1.104 nan 8.230 nan 0.000 0.446 524 D N -4.198 116.342 120.400 0.234 0.000 2.725 524 D HA 0.170 4.809 4.640 -0.000 0.000 0.292 524 D C -2.382 173.822 176.300 -0.159 0.000 1.288 524 D CA -1.008 53.020 54.000 0.046 0.000 0.784 524 D CB 0.179 40.956 40.800 -0.038 0.000 1.308 524 D HN -0.314 nan 8.370 nan 0.000 0.429 525 P HA -0.164 nan 4.420 nan 0.000 0.219 525 P C 0.647 177.825 177.300 -0.203 0.000 1.146 525 P CA 0.988 63.613 63.100 -0.792 0.000 0.808 525 P CB 0.196 31.293 31.700 -1.005 0.000 0.779 526 N N -0.687 117.942 118.700 -0.118 0.000 2.142 526 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 526 N C 1.963 177.542 175.510 0.116 0.000 1.023 526 N CA 0.999 54.043 53.050 -0.010 0.000 0.852 526 N CB -1.126 37.348 38.487 -0.022 0.000 0.998 526 N HN 0.408 nan 8.380 nan 0.000 0.424 527 H N 0.670 119.758 119.070 0.030 0.000 2.290 527 H HA -0.044 4.512 4.556 -0.000 0.000 0.298 527 H C 2.332 177.759 175.328 0.165 0.000 1.087 527 H CA 1.086 57.195 56.048 0.102 0.000 1.291 527 H CB -0.113 29.710 29.762 0.102 0.000 1.369 527 H HN 0.091 nan 8.280 nan 0.000 0.492 528 L N 0.582 121.865 121.223 0.101 0.000 2.012 528 L HA -0.224 4.115 4.340 -0.000 0.000 0.210 528 L C 2.995 179.919 176.870 0.090 0.000 1.073 528 L CA 1.447 56.332 54.840 0.075 0.000 0.748 528 L CB -0.339 41.882 42.059 0.271 0.000 0.891 528 L HN 0.318 nan 8.230 nan 0.000 0.431 529 R N -1.156 119.403 120.500 0.098 0.000 2.083 529 R HA -0.296 4.044 4.340 -0.000 0.000 0.237 529 R C 2.384 178.730 176.300 0.076 0.000 1.137 529 R CA 2.107 58.250 56.100 0.073 0.000 0.951 529 R CB -0.420 29.905 30.300 0.041 0.000 0.851 529 R HN 0.451 nan 8.270 nan 0.000 0.434 530 H N 0.428 119.512 119.070 0.022 0.000 2.265 530 H HA -0.152 4.404 4.556 -0.000 0.000 0.295 530 H C 1.947 177.272 175.328 -0.005 0.000 1.084 530 H CA 2.500 58.559 56.048 0.019 0.000 1.261 530 H CB -0.484 29.319 29.762 0.068 0.000 1.360 530 H HN 0.187 nan 8.280 nan 0.000 0.487 531 L N -0.566 120.539 121.223 -0.197 0.000 1.990 531 L HA -0.270 4.070 4.340 -0.000 0.000 0.213 531 L C 2.895 179.446 176.870 -0.532 0.000 1.072 531 L CA 2.010 56.614 54.840 -0.392 0.000 0.755 531 L CB -0.582 41.302 42.059 -0.292 0.000 0.889 531 L HN 0.373 nan 8.230 nan 0.000 0.432 532 M N -1.314 118.116 119.600 -0.283 0.000 2.106 532 M HA -0.269 4.210 4.480 -0.000 0.000 0.259 532 M C 2.469 178.652 176.300 -0.195 0.000 1.068 532 M CA 1.709 56.898 55.300 -0.185 0.000 1.100 532 M CB -0.611 32.023 32.600 0.058 0.000 1.351 532 M HN 0.325 nan 8.290 nan 0.000 0.404 533 H N -0.486 118.451 119.070 -0.222 0.000 2.357 533 H HA -0.094 4.462 4.556 -0.000 0.000 0.301 533 H C 1.692 176.874 175.328 -0.244 0.000 1.082 533 H CA 1.936 57.871 56.048 -0.188 0.000 1.342 533 H CB -0.011 29.666 29.762 -0.141 0.000 1.389 533 H HN 0.279 nan 8.280 nan 0.000 0.511 534 T N 0.787 115.201 114.554 -0.233 0.000 2.759 534 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 534 T C 2.178 176.695 174.700 -0.305 0.000 1.042 534 T CA 1.315 63.251 62.100 -0.273 0.000 1.140 534 T CB -0.427 68.203 68.868 -0.397 0.000 0.864 534 T HN 0.493 nan 8.240 nan 0.000 0.455 535 A N 1.347 123.919 122.820 -0.414 0.000 1.897 535 A HA 0.017 4.337 4.320 -0.000 0.000 0.215 535 A C 2.187 179.642 177.584 -0.215 0.000 1.181 535 A CA 1.735 53.557 52.037 -0.358 0.000 0.620 535 A CB -0.459 18.177 19.000 -0.607 0.000 0.821 535 A HN 0.379 nan 8.150 nan 0.000 0.443 536 K N -0.278 119.987 120.400 -0.225 0.000 2.103 536 K HA -0.046 4.273 4.320 -0.000 0.000 0.207 536 K C 1.925 178.405 176.600 -0.200 0.000 1.048 536 K CA 1.770 57.949 56.287 -0.181 0.000 0.930 536 K CB -0.388 31.991 32.500 -0.201 0.000 0.716 536 K HN 0.475 nan 8.250 nan 0.000 0.444 537 M N 0.437 119.875 119.600 -0.269 0.000 2.202 537 M HA -0.151 4.328 4.480 -0.000 0.000 0.262 537 M C 0.360 176.574 176.300 -0.143 0.000 1.063 537 M CA 1.012 56.183 55.300 -0.215 0.000 1.097 537 M CB -0.394 32.075 32.600 -0.218 0.000 1.382 537 M HN 0.125 nan 8.290 nan 0.000 0.413 552 R N 2.304 122.812 120.500 0.013 0.000 2.577 552 R HA 0.583 4.923 4.340 -0.000 0.000 0.344 552 R C 0.052 176.440 176.300 0.147 0.000 1.037 552 R CA 0.528 56.695 56.100 0.112 0.000 1.102 552 R CB 1.086 31.525 30.300 0.233 0.000 1.313 552 R HN 0.703 nan 8.270 nan 0.000 0.561 553 S N -1.658 114.089 115.700 0.079 0.000 2.715 553 S HA 0.494 4.964 4.470 -0.000 0.000 0.307 553 S C -0.539 174.060 174.600 -0.001 0.000 1.119 553 S CA -0.938 57.279 58.200 0.029 0.000 0.937 553 S CB 1.247 64.522 63.200 0.124 0.000 1.150 553 S HN 0.271 nan 8.310 nan 0.000 0.521 554 H N -0.233 118.913 119.070 0.127 0.000 2.473 554 H HA 0.672 5.228 4.556 -0.000 0.000 0.327 554 H C -0.144 175.240 175.328 0.093 0.000 1.105 554 H CA -0.634 55.478 56.048 0.107 0.000 1.280 554 H CB 1.407 31.243 29.762 0.125 0.000 1.450 554 H HN 0.881 nan 8.280 nan 0.000 0.492 555 A N 3.270 126.211 122.820 0.201 0.000 2.288 555 A HA 0.551 4.871 4.320 -0.000 0.000 0.320 555 A C -0.814 176.827 177.584 0.094 0.000 1.217 555 A CA -0.621 51.491 52.037 0.125 0.000 0.840 555 A CB 0.664 19.715 19.000 0.084 0.000 1.179 555 A HN 0.487 nan 8.150 nan 0.000 0.504 556 V N 2.531 122.486 119.914 0.069 0.000 2.443 556 V HA 0.458 4.578 4.120 -0.000 0.000 0.293 556 V C -0.181 175.876 176.094 -0.061 0.000 1.021 556 V CA -0.360 61.941 62.300 0.002 0.000 0.848 556 V CB 1.815 33.642 31.823 0.007 0.000 0.998 556 V HN 0.888 nan 8.190 nan 0.000 0.424 557 T N 5.342 119.816 114.554 -0.132 0.000 2.788 557 T HA 0.375 4.725 4.350 -0.000 0.000 0.296 557 T C -0.299 174.212 174.700 -0.316 0.000 1.009 557 T CA -0.413 61.499 62.100 -0.314 0.000 0.949 557 T CB 0.839 69.546 68.868 -0.269 0.000 0.946 557 T HN 0.626 nan 8.240 nan 0.000 0.453 558 K N 4.271 124.453 120.400 -0.364 0.000 2.182 558 K HA 0.602 4.922 4.320 -0.000 0.000 0.262 558 K C -1.166 175.274 176.600 -0.267 0.000 0.957 558 K CA -0.751 55.384 56.287 -0.253 0.000 0.842 558 K CB 0.797 33.190 32.500 -0.179 0.000 1.099 558 K HN 0.500 nan 8.250 nan 0.000 0.438 559 L N 3.786 124.897 121.223 -0.188 0.000 2.349 559 L HA 0.370 4.709 4.340 -0.000 0.000 0.278 559 L C -0.568 176.240 176.870 -0.103 0.000 0.996 559 L CA -0.650 54.097 54.840 -0.156 0.000 0.825 559 L CB 1.838 43.808 42.059 -0.149 0.000 1.243 559 L HN 0.717 nan 8.230 nan 0.000 0.412 560 E N 4.816 124.971 120.200 -0.076 0.000 2.113 560 E HA 0.421 4.771 4.350 -0.000 0.000 0.273 560 E C -1.283 175.307 176.600 -0.016 0.000 0.924 560 E CA -0.634 55.742 56.400 -0.040 0.000 0.764 560 E CB 1.134 30.819 29.700 -0.024 0.000 1.104 560 E HN 0.533 nan 8.360 nan 0.000 0.406 561 L N 6.729 127.949 121.223 -0.005 0.000 2.268 561 L HA 0.411 4.751 4.340 -0.000 0.000 0.289 561 L C -0.274 176.672 176.870 0.126 0.000 1.064 561 L CA -0.464 54.408 54.840 0.053 0.000 0.824 561 L CB 0.440 42.493 42.059 -0.010 0.000 1.202 561 L HN 0.550 nan 8.230 nan 0.000 0.433 562 I N 3.100 123.761 120.570 0.151 0.000 2.359 562 I HA 0.369 4.538 4.170 -0.000 0.000 0.284 562 I C 0.693 176.799 176.117 -0.018 0.000 1.018 562 I CA -0.229 61.114 61.300 0.073 0.000 1.173 562 I CB 1.530 39.557 38.000 0.045 0.000 1.326 562 I HN 0.574 nan 8.210 nan 0.000 0.462 563 G N 6.046 114.702 108.800 -0.240 0.000 2.356 563 G HA2 0.689 4.649 3.960 -0.000 0.000 0.322 563 G HA3 0.689 4.649 3.960 -0.000 0.000 0.322 563 G C -0.520 174.363 174.900 -0.028 0.000 1.125 563 G CA -0.601 44.070 45.100 -0.715 0.000 0.885 563 G HN 0.529 nan 8.290 nan 0.000 0.467 564 R N 0.745 121.225 120.500 -0.034 0.000 2.621 564 R HA 0.334 4.673 4.340 -0.000 0.000 0.292 564 R C -1.311 174.818 176.300 -0.284 0.000 0.969 564 R CA -0.915 55.145 56.100 -0.068 0.000 0.887 564 R CB 2.255 32.510 30.300 -0.076 0.000 1.180 564 R HN 0.571 nan 8.270 nan 0.000 0.450 565 H N 2.079 120.788 119.070 -0.602 0.000 2.786 565 H HA 0.267 4.823 4.556 -0.000 0.000 0.284 565 H C 0.318 175.391 175.328 -0.426 0.000 1.104 565 H CA -0.091 55.490 56.048 -0.778 0.000 1.339 565 H CB 1.543 30.487 29.762 -1.362 0.000 1.427 565 H HN 0.872 nan 8.280 nan 0.000 0.497 566 A N 4.182 126.813 122.820 -0.316 0.000 1.851 566 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 566 A C 2.172 179.683 177.584 -0.121 0.000 1.195 566 A CA 1.745 53.673 52.037 -0.183 0.000 0.622 566 A CB -0.324 18.573 19.000 -0.173 0.000 0.831 566 A HN 0.802 nan 8.150 nan 0.000 0.444 567 E N -0.679 119.455 120.200 -0.109 0.000 2.065 567 E HA -0.212 4.138 4.350 -0.000 0.000 0.201 567 E C 1.795 178.339 176.600 -0.094 0.000 1.016 567 E CA 1.469 57.836 56.400 -0.054 0.000 0.818 567 E CB -0.092 29.603 29.700 -0.009 0.000 0.749 567 E HN 0.312 nan 8.360 nan 0.000 0.453 568 K N 0.122 120.451 120.400 -0.118 0.000 2.459 568 K HA -0.008 4.311 4.320 -0.000 0.000 0.193 568 K C 0.080 176.516 176.600 -0.274 0.000 1.030 568 K CA 0.221 56.256 56.287 -0.420 0.000 1.026 568 K CB 0.452 32.288 32.500 -1.107 0.000 0.809 568 K HN 0.107 nan 8.250 nan 0.000 0.504 569 Q N 1.143 120.844 119.800 -0.165 0.000 2.451 569 Q HA -0.175 4.165 4.340 -0.000 0.000 0.305 569 Q C -0.773 175.169 176.000 -0.096 0.000 1.345 569 Q CA 1.065 56.798 55.803 -0.116 0.000 0.854 569 Q CB -1.283 27.398 28.738 -0.094 0.000 1.162 569 Q HN 0.359 nan 8.270 nan 0.000 0.440 570 E N 0.186 120.319 120.200 -0.112 0.000 2.277 570 E HA 0.740 5.090 4.350 -0.000 0.000 0.266 570 E C 0.656 177.283 176.600 0.045 0.000 0.901 570 E CA -0.849 55.556 56.400 0.009 0.000 0.782 570 E CB 1.807 31.595 29.700 0.147 0.000 1.228 570 E HN 0.355 nan 8.360 nan 0.000 0.424 571 I N -2.375 118.296 120.570 0.167 0.000 2.892 571 I HA 0.648 4.818 4.170 -0.000 0.000 0.306 571 I C -0.345 175.941 176.117 0.281 0.000 1.078 571 I CA -0.844 60.586 61.300 0.216 0.000 1.032 571 I CB 2.370 40.422 38.000 0.086 0.000 1.229 571 I HN 0.218 nan 8.210 nan 0.000 0.435 572 S N 3.122 118.945 115.700 0.204 0.000 2.746 572 S HA 0.576 5.046 4.470 -0.000 0.000 0.273 572 S C -1.135 173.450 174.600 -0.024 0.000 1.172 572 S CA -0.411 57.792 58.200 0.005 0.000 1.116 572 S CB 1.008 64.040 63.200 -0.280 0.000 1.057 572 S HN 0.497 nan 8.310 nan 0.000 0.483 573 V N 4.783 124.682 119.914 -0.024 0.000 2.370 573 V HA 0.843 4.962 4.120 -0.000 0.000 0.283 573 V C 0.864 176.937 176.094 -0.036 0.000 1.023 573 V CA 0.071 62.362 62.300 -0.015 0.000 0.857 573 V CB 1.155 32.972 31.823 -0.011 0.000 0.985 573 V HN 0.906 nan 8.190 nan 0.000 0.443 574 G N 3.193 111.985 108.800 -0.014 0.000 2.798 574 G HA2 0.826 4.786 3.960 -0.000 0.000 0.286 574 G HA3 0.826 4.786 3.960 -0.000 0.000 0.286 574 G C -0.917 173.974 174.900 -0.014 0.000 1.389 574 G CA -0.217 44.872 45.100 -0.019 0.000 0.894 574 G HN 0.972 nan 8.290 nan 0.000 0.488 575 S N -1.186 114.506 115.700 -0.013 0.000 2.535 575 S HA 0.640 5.110 4.470 -0.000 0.000 0.272 575 S C -1.244 173.335 174.600 -0.034 0.000 1.149 575 S CA -0.767 57.414 58.200 -0.032 0.000 0.888 575 S CB 1.344 64.522 63.200 -0.037 0.000 1.110 575 S HN 0.668 nan 8.310 nan 0.000 0.463 576 I N 2.861 123.395 120.570 -0.059 0.000 2.354 576 I HA 0.425 4.595 4.170 -0.000 0.000 0.292 576 I C -0.375 175.683 176.117 -0.099 0.000 0.989 576 I CA -0.736 60.526 61.300 -0.064 0.000 1.188 576 I CB 1.530 39.495 38.000 -0.059 0.000 1.342 576 I HN 0.626 nan 8.210 nan 0.000 0.457 577 N N 7.765 126.396 118.700 -0.116 0.000 2.626 577 N HA 0.368 5.108 4.740 -0.000 0.000 0.249 577 N C -1.087 174.299 175.510 -0.207 0.000 1.021 577 N CA -0.461 52.490 53.050 -0.164 0.000 0.886 577 N CB 1.880 40.261 38.487 -0.176 0.000 1.149 577 N HN 0.400 nan 8.380 nan 0.000 0.517 578 L N 2.455 123.579 121.223 -0.164 0.000 2.268 578 L HA 0.382 4.722 4.340 -0.000 0.000 0.289 578 L C 0.004 176.793 176.870 -0.134 0.000 1.064 578 L CA -0.572 54.190 54.840 -0.131 0.000 0.824 578 L CB 0.753 42.761 42.059 -0.085 0.000 1.202 578 L HN 0.021 nan 8.230 nan 0.000 0.433 579 V N 1.463 121.269 119.914 -0.179 0.000 2.483 579 V HA 0.304 4.424 4.120 -0.000 0.000 0.295 579 V C -0.206 175.919 176.094 0.051 0.000 1.035 579 V CA -0.557 61.691 62.300 -0.087 0.000 0.896 579 V CB 2.014 33.730 31.823 -0.178 0.000 0.986 579 V HN 0.590 nan 8.190 nan 0.000 0.447 580 D N 4.352 124.804 120.400 0.086 0.000 2.483 580 D HA 0.322 4.962 4.640 -0.000 0.000 0.281 580 D C 0.066 176.457 176.300 0.152 0.000 1.174 580 D CA -0.318 53.747 54.000 0.109 0.000 0.938 580 D CB 0.432 41.276 40.800 0.075 0.000 1.002 580 D HN 0.425 nan 8.370 nan 0.000 0.501 581 L N 1.300 122.626 121.223 0.170 0.000 2.529 581 L HA 0.125 4.465 4.340 -0.000 0.000 0.287 581 L C 1.313 178.307 176.870 0.207 0.000 1.241 581 L CA -0.213 54.730 54.840 0.172 0.000 0.857 581 L CB 0.212 42.310 42.059 0.066 0.000 1.113 581 L HN 0.263 nan 8.230 nan 0.000 0.504 582 A N 2.090 125.151 122.820 0.401 0.000 2.313 582 A HA 0.505 4.825 4.320 -0.000 0.000 0.261 582 A C 0.687 178.284 177.584 0.021 0.000 1.090 582 A CA 0.071 52.202 52.037 0.158 0.000 0.807 582 A CB 0.102 19.143 19.000 0.069 0.000 1.055 582 A HN 0.827 nan 8.150 nan 0.000 0.492 583 G N -0.413 108.377 108.800 -0.016 0.000 2.391 583 G HA2 0.309 4.269 3.960 -0.000 0.000 0.234 583 G HA3 0.309 4.269 3.960 -0.000 0.000 0.234 583 G C 0.907 175.736 174.900 -0.118 0.000 1.284 583 G CA 0.430 45.487 45.100 -0.072 0.000 0.873 583 G HN 1.499 nan 8.290 nan 0.000 0.549 584 S N 0.269 115.843 115.700 -0.211 0.000 2.540 584 S HA 0.093 4.563 4.470 -0.000 0.000 0.218 584 S C 0.929 175.500 174.600 -0.048 0.000 0.977 584 S CA 0.135 58.219 58.200 -0.193 0.000 0.918 584 S CB -0.111 62.833 63.200 -0.427 0.000 0.806 584 S HN 0.824 nan 8.310 nan 0.000 0.496 585 E N 1.791 121.974 120.200 -0.027 0.000 2.494 585 E HA 0.081 4.431 4.350 -0.000 0.000 0.262 585 E C -0.808 175.806 176.600 0.023 0.000 1.294 585 E CA 0.010 56.419 56.400 0.014 0.000 1.062 585 E CB 0.041 29.754 29.700 0.021 0.000 0.982 585 E HN 0.108 nan 8.360 nan 0.000 0.495 586 S N 1.849 117.569 115.700 0.033 0.000 2.422 586 S HA 0.357 4.827 4.470 -0.000 0.000 0.308 586 S C -2.096 172.520 174.600 0.028 0.000 1.097 586 S CA -1.016 57.204 58.200 0.032 0.000 1.099 586 S CB 1.117 64.340 63.200 0.039 0.000 0.976 586 S HN 0.350 nan 8.310 nan 0.000 0.471 587 P HA 0.316 nan 4.420 nan 0.000 0.272 587 P C 0.448 177.760 177.300 0.020 0.000 1.254 587 P CA -0.331 62.781 63.100 0.019 0.000 0.795 587 P CB 0.684 32.392 31.700 0.014 0.000 1.022 588 K N -0.725 119.686 120.400 0.018 0.000 3.334 588 K HA 0.321 4.641 4.320 -0.000 0.000 0.249 588 K C 1.124 177.733 176.600 0.014 0.000 1.231 588 K CA 0.857 57.154 56.287 0.017 0.000 1.266 588 K CB -0.397 32.114 32.500 0.018 0.000 2.012 588 K HN 0.428 nan 8.250 nan 0.000 0.440 589 T N -1.115 113.447 114.554 0.013 0.000 3.431 589 T HA 0.240 4.590 4.350 -0.000 0.000 0.207 589 T C -0.098 174.608 174.700 0.011 0.000 0.979 589 T CA 0.106 62.213 62.100 0.011 0.000 1.141 589 T CB 0.143 69.018 68.868 0.011 0.000 1.278 589 T HN 0.399 nan 8.240 nan 0.000 0.334 599 I N 0.049 120.580 120.570 -0.064 0.000 2.335 599 I HA -0.166 4.004 4.170 -0.000 0.000 0.251 599 I C 1.262 177.394 176.117 0.024 0.000 1.129 599 I CA 1.794 63.060 61.300 -0.057 0.000 1.402 599 I CB -1.596 36.342 38.000 -0.104 0.000 1.069 599 I HN 0.553 nan 8.210 nan 0.000 0.424 600 N N 1.801 120.514 118.700 0.021 0.000 2.635 600 N HA -0.218 4.522 4.740 -0.000 0.000 0.191 600 N C 1.899 177.440 175.510 0.052 0.000 1.155 600 N CA 0.570 53.646 53.050 0.043 0.000 0.927 600 N CB -0.240 38.266 38.487 0.031 0.000 0.976 600 N HN 0.585 nan 8.380 nan 0.000 0.448 601 R N 0.970 121.499 120.500 0.048 0.000 2.062 601 R HA 0.050 4.390 4.340 -0.000 0.000 0.218 601 R C 2.123 178.466 176.300 0.073 0.000 1.161 601 R CA 0.692 56.821 56.100 0.048 0.000 0.994 601 R CB -0.353 29.966 30.300 0.032 0.000 0.888 601 R HN 0.064 nan 8.270 nan 0.000 0.442 602 S N 0.430 116.195 115.700 0.109 0.000 2.493 602 S HA -0.080 4.390 4.470 -0.000 0.000 0.243 602 S C 1.605 176.306 174.600 0.168 0.000 0.991 602 S CA 0.667 58.968 58.200 0.169 0.000 0.957 602 S CB -0.095 63.270 63.200 0.274 0.000 0.756 602 S HN 0.292 nan 8.310 nan 0.000 0.521 603 L N 1.351 122.665 121.223 0.152 0.000 2.130 603 L HA 0.163 4.503 4.340 -0.000 0.000 0.200 603 L C 2.629 179.527 176.870 0.046 0.000 1.075 603 L CA 1.960 56.863 54.840 0.106 0.000 0.768 603 L CB -0.936 41.208 42.059 0.142 0.000 0.933 603 L HN 0.449 nan 8.230 nan 0.000 0.451 604 S N -1.583 114.149 115.700 0.053 0.000 2.402 604 S HA -0.135 4.334 4.470 -0.000 0.000 0.229 604 S C 1.764 176.368 174.600 0.007 0.000 1.021 604 S CA 0.840 59.057 58.200 0.028 0.000 0.974 604 S CB -0.475 62.748 63.200 0.038 0.000 0.800 604 S HN 0.408 nan 8.310 nan 0.000 0.484 605 E N 1.154 121.365 120.200 0.018 0.000 2.150 605 E HA -0.001 4.349 4.350 -0.000 0.000 0.193 605 E C 2.024 178.618 176.600 -0.010 0.000 0.985 605 E CA 0.540 56.947 56.400 0.012 0.000 0.814 605 E CB -0.401 29.321 29.700 0.038 0.000 0.752 605 E HN 0.450 nan 8.360 nan 0.000 0.466 606 L N 1.453 122.655 121.223 -0.034 0.000 2.023 606 L HA -0.132 4.207 4.340 -0.000 0.000 0.205 606 L C 2.415 179.189 176.870 -0.160 0.000 1.073 606 L CA 2.384 57.162 54.840 -0.102 0.000 0.745 606 L CB -1.239 40.710 42.059 -0.183 0.000 0.900 606 L HN 0.198 nan 8.230 nan 0.000 0.435 607 T N -2.981 111.455 114.554 -0.197 0.000 2.788 607 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 607 T C 1.674 176.400 174.700 0.044 0.000 1.044 607 T CA 1.768 63.761 62.100 -0.177 0.000 1.139 607 T CB -0.776 67.916 68.868 -0.292 0.000 0.867 607 T HN 0.447 nan 8.240 nan 0.000 0.454 608 N N 0.725 119.427 118.700 0.003 0.000 2.142 608 N HA -0.044 4.695 4.740 -0.000 0.000 0.186 608 N C 1.832 177.328 175.510 -0.024 0.000 1.023 608 N CA 1.107 54.158 53.050 0.003 0.000 0.852 608 N CB -0.236 38.243 38.487 -0.013 0.000 0.998 608 N HN 0.193 nan 8.380 nan 0.000 0.424 609 V N 1.525 121.412 119.914 -0.045 0.000 2.594 609 V HA -0.183 3.937 4.120 -0.000 0.000 0.253 609 V C 1.960 178.040 176.094 -0.023 0.000 1.069 609 V CA 1.311 63.566 62.300 -0.076 0.000 1.082 609 V CB -0.353 31.439 31.823 -0.052 0.000 0.680 609 V HN 0.320 nan 8.190 nan 0.000 0.469 610 I N -0.916 119.657 120.570 0.006 0.000 2.406 610 I HA -0.144 4.026 4.170 -0.000 0.000 0.249 610 I C 2.173 178.303 176.117 0.022 0.000 1.122 610 I CA 1.165 62.489 61.300 0.040 0.000 1.431 610 I CB -0.109 37.935 38.000 0.074 0.000 1.087 610 I HN 0.243 nan 8.210 nan 0.000 0.424 611 L N 0.417 121.653 121.223 0.022 0.000 2.109 611 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 611 L C 2.833 179.680 176.870 -0.038 0.000 1.086 611 L CA 1.126 55.948 54.840 -0.029 0.000 0.760 611 L CB -0.653 41.393 42.059 -0.021 0.000 0.910 611 L HN 0.211 nan 8.230 nan 0.000 0.437 612 A N 0.219 123.017 122.820 -0.036 0.000 1.902 612 A HA -0.155 4.164 4.320 -0.000 0.000 0.217 612 A C 2.242 179.806 177.584 -0.034 0.000 1.181 612 A CA 1.298 53.307 52.037 -0.047 0.000 0.623 612 A CB -0.614 18.339 19.000 -0.079 0.000 0.818 612 A HN 0.331 nan 8.150 nan 0.000 0.443 613 L N -0.753 120.457 121.223 -0.021 0.000 2.046 613 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 613 L C 2.582 179.452 176.870 -0.001 0.000 1.077 613 L CA 0.954 55.800 54.840 0.010 0.000 0.747 613 L CB -0.425 41.664 42.059 0.050 0.000 0.896 613 L HN 0.384 nan 8.230 nan 0.000 0.432 614 L N -0.694 120.516 121.223 -0.020 0.000 2.017 614 L HA -0.257 4.082 4.340 -0.000 0.000 0.208 614 L C 2.299 179.146 176.870 -0.038 0.000 1.073 614 L CA 1.403 56.220 54.840 -0.039 0.000 0.745 614 L CB -0.342 41.673 42.059 -0.073 0.000 0.894 614 L HN 0.345 nan 8.230 nan 0.000 0.432 615 Q N 0.267 120.044 119.800 -0.039 0.000 2.515 615 Q HA -0.052 4.288 4.340 -0.000 0.000 0.214 615 Q C -0.409 175.580 176.000 -0.019 0.000 0.971 615 Q CA 0.077 55.860 55.803 -0.034 0.000 0.952 615 Q CB -0.045 28.672 28.738 -0.036 0.000 0.999 615 Q HN 0.247 nan 8.270 nan 0.000 0.524 616 K N 1.698 122.091 120.400 -0.011 0.000 4.856 616 K HA -0.233 4.087 4.320 -0.000 0.000 0.306 616 K C -0.587 176.017 176.600 0.006 0.000 0.895 616 K CA 0.403 56.691 56.287 0.001 0.000 0.963 616 K CB -0.900 31.601 32.500 0.001 0.000 1.737 616 K HN 0.404 nan 8.250 nan 0.000 0.424 617 Q N 0.237 120.041 119.800 0.007 0.000 2.166 617 Q HA 0.234 4.574 4.340 -0.000 0.000 0.226 617 Q C 0.661 176.679 176.000 0.030 0.000 0.989 617 Q CA -0.872 54.942 55.803 0.018 0.000 0.966 617 Q CB 1.010 29.751 28.738 0.005 0.000 1.173 617 Q HN 0.285 nan 8.270 nan 0.000 0.509 618 D N -0.691 119.749 120.400 0.067 0.000 2.840 618 D HA 0.018 4.658 4.640 -0.000 0.000 0.277 618 D C -0.066 176.199 176.300 -0.057 0.000 1.066 618 D CA 0.805 54.816 54.000 0.019 0.000 0.979 618 D CB 0.262 41.096 40.800 0.057 0.000 1.157 618 D HN 0.416 nan 8.370 nan 0.000 0.466 619 H N 0.907 119.967 119.070 -0.016 0.000 2.914 619 H HA 0.366 4.922 4.556 -0.000 0.000 0.264 619 H C -0.125 175.161 175.328 -0.069 0.000 1.433 619 H CA -0.058 55.976 56.048 -0.023 0.000 1.342 619 H CB -0.090 29.661 29.762 -0.019 0.000 1.582 619 H HN 0.008 nan 8.280 nan 0.000 0.525 620 I N 4.991 125.534 120.570 -0.045 0.000 2.315 620 I HA 0.165 4.335 4.170 -0.000 0.000 0.291 620 I C -1.652 174.307 176.117 -0.262 0.000 1.006 620 I CA -1.989 59.156 61.300 -0.259 0.000 1.265 620 I CB 1.594 39.238 38.000 -0.594 0.000 1.387 620 I HN 0.362 nan 8.210 nan 0.000 0.475 621 P HA 0.081 nan 4.420 nan 0.000 0.230 621 P C 0.173 177.426 177.300 -0.078 0.000 1.791 621 P CA -0.057 62.988 63.100 -0.092 0.000 1.020 621 P CB -0.132 31.535 31.700 -0.056 0.000 1.977 622 Y N 1.343 121.648 120.300 0.009 0.000 2.181 622 Y HA -0.134 4.416 4.550 -0.000 0.000 0.288 622 Y C 2.397 178.290 175.900 -0.012 0.000 1.146 622 Y CA 1.063 59.180 58.100 0.028 0.000 1.164 622 Y CB -0.457 38.040 38.460 0.062 0.000 0.982 622 Y HN 0.098 nan 8.280 nan 0.000 0.515 623 R N 0.967 121.487 120.500 0.032 0.000 2.369 623 R HA -0.099 4.241 4.340 -0.000 0.000 0.200 623 R C 1.067 177.329 176.300 -0.063 0.000 1.046 623 R CA 0.591 56.559 56.100 -0.220 0.000 1.057 623 R CB -0.777 29.316 30.300 -0.345 0.000 0.888 623 R HN 0.647 nan 8.270 nan 0.000 0.474 624 N N 0.762 119.469 118.700 0.012 0.000 2.080 624 N HA -0.098 4.642 4.740 -0.000 0.000 0.189 624 N C 0.544 176.086 175.510 0.053 0.000 1.036 624 N CA 1.208 54.271 53.050 0.022 0.000 0.846 624 N CB 0.168 38.665 38.487 0.016 0.000 1.015 624 N HN 0.154 nan 8.380 nan 0.000 0.423 625 S N -0.256 115.499 115.700 0.091 0.000 2.638 625 S HA 0.384 4.854 4.470 -0.000 0.000 0.298 625 S C 0.505 175.206 174.600 0.168 0.000 1.111 625 S CA -0.818 57.452 58.200 0.117 0.000 1.027 625 S CB 2.452 65.725 63.200 0.122 0.000 1.064 625 S HN -0.115 nan 8.310 nan 0.000 0.525 626 K N 0.002 120.501 120.400 0.165 0.000 2.147 626 K HA 0.076 4.395 4.320 -0.000 0.000 0.205 626 K C 1.663 178.378 176.600 0.191 0.000 1.049 626 K CA 1.069 57.463 56.287 0.180 0.000 0.936 626 K CB -0.677 31.906 32.500 0.140 0.000 0.722 626 K HN 0.616 nan 8.250 nan 0.000 0.446 627 L N 0.204 121.549 121.223 0.203 0.000 2.023 627 L HA -0.120 4.219 4.340 -0.000 0.000 0.205 627 L C 1.988 178.975 176.870 0.196 0.000 1.073 627 L CA 2.164 57.118 54.840 0.190 0.000 0.745 627 L CB -0.983 41.178 42.059 0.170 0.000 0.900 627 L HN 0.391 nan 8.230 nan 0.000 0.435 628 T N -4.229 110.451 114.554 0.210 0.000 2.962 628 T HA -0.246 4.104 4.350 -0.000 0.000 0.270 628 T C 1.878 176.779 174.700 0.335 0.000 1.088 628 T CA 1.611 63.870 62.100 0.265 0.000 1.127 628 T CB -0.836 68.170 68.868 0.230 0.000 0.883 628 T HN 0.613 nan 8.240 nan 0.000 0.493 629 H N -0.163 119.002 119.070 0.160 0.000 2.372 629 H HA 0.151 4.707 4.556 -0.000 0.000 0.301 629 H C 2.196 177.561 175.328 0.062 0.000 1.065 629 H CA 0.624 56.743 56.048 0.119 0.000 1.364 629 H CB 0.001 29.823 29.762 0.100 0.000 1.406 629 H HN 0.264 nan 8.280 nan 0.000 0.521 630 L N 1.017 122.286 121.223 0.076 0.000 2.046 630 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 630 L C 1.784 178.654 176.870 0.000 0.000 1.077 630 L CA 1.448 56.268 54.840 -0.032 0.000 0.747 630 L CB -0.316 41.746 42.059 0.004 0.000 0.896 630 L HN 0.322 nan 8.230 nan 0.000 0.432 631 L N -1.123 120.140 121.223 0.066 0.000 2.592 631 L HA 0.006 4.346 4.340 -0.000 0.000 0.227 631 L C 2.257 179.142 176.870 0.025 0.000 1.127 631 L CA 0.073 54.949 54.840 0.060 0.000 0.884 631 L CB -0.402 41.741 42.059 0.139 0.000 1.065 631 L HN 0.412 nan 8.230 nan 0.000 0.457 632 M N 1.970 121.549 119.600 -0.034 0.000 2.103 632 M HA -0.181 4.299 4.480 -0.000 0.000 0.255 632 M C -0.733 175.359 176.300 -0.347 0.000 1.074 632 M CA 2.354 57.437 55.300 -0.362 0.000 1.090 632 M CB -0.852 31.514 32.600 -0.390 0.000 1.325 632 M HN 0.032 nan 8.290 nan 0.000 0.403 633 P HA 0.065 nan 4.420 nan 0.000 0.249 633 P C -0.020 177.247 177.300 -0.054 0.000 1.241 633 P CA 0.923 63.954 63.100 -0.114 0.000 0.781 633 P CB 0.096 31.752 31.700 -0.072 0.000 1.088 634 S N -0.966 114.716 115.700 -0.030 0.000 2.780 634 S HA 0.281 4.751 4.470 -0.000 0.000 0.248 634 S C 0.496 175.143 174.600 0.078 0.000 1.036 634 S CA -0.221 57.993 58.200 0.023 0.000 1.061 634 S CB 0.231 63.438 63.200 0.011 0.000 1.037 634 S HN 0.080 nan 8.310 nan 0.000 0.584 635 L N 2.379 123.656 121.223 0.089 0.000 2.679 635 L HA 0.676 5.015 4.340 -0.000 0.000 0.238 635 L C 0.305 177.298 176.870 0.206 0.000 1.330 635 L CA -0.308 54.648 54.840 0.192 0.000 0.935 635 L CB 0.903 43.150 42.059 0.313 0.000 1.243 635 L HN 0.305 nan 8.230 nan 0.000 0.484 636 G N -1.103 107.782 108.800 0.142 0.000 2.350 636 G HA2 0.428 4.388 3.960 -0.000 0.000 0.305 636 G HA3 0.428 4.388 3.960 -0.000 0.000 0.305 636 G C -0.180 174.777 174.900 0.095 0.000 1.479 636 G CA 0.086 45.269 45.100 0.139 0.000 0.949 636 G HN 0.650 nan 8.290 nan 0.000 0.651 637 G N 0.796 109.648 108.800 0.087 0.000 2.536 637 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.280 637 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.280 637 G C 1.132 176.090 174.900 0.097 0.000 1.152 637 G CA 0.934 46.080 45.100 0.076 0.000 0.970 637 G HN 1.447 nan 8.290 nan 0.000 0.549 638 N N 1.408 120.186 118.700 0.130 0.000 2.396 638 N HA 0.032 4.771 4.740 -0.000 0.000 0.180 638 N C 1.275 176.918 175.510 0.222 0.000 1.028 638 N CA 1.074 54.259 53.050 0.225 0.000 0.893 638 N CB -0.238 38.475 38.487 0.378 0.000 0.967 638 N HN 0.522 nan 8.380 nan 0.000 0.440 639 S N 1.292 117.096 115.700 0.174 0.000 2.561 639 S HA 0.001 4.471 4.470 -0.000 0.000 0.294 639 S C 0.396 175.055 174.600 0.098 0.000 1.294 639 S CA 0.530 58.815 58.200 0.142 0.000 1.055 639 S CB 0.379 63.645 63.200 0.110 0.000 0.819 639 S HN 0.176 nan 8.310 nan 0.000 0.503 640 K N 1.648 122.097 120.400 0.083 0.000 2.259 640 K HA 0.632 4.952 4.320 -0.000 0.000 0.252 640 K C -0.647 176.001 176.600 0.081 0.000 0.936 640 K CA -0.437 55.882 56.287 0.054 0.000 0.810 640 K CB 2.076 34.585 32.500 0.014 0.000 1.143 640 K HN 0.420 nan 8.250 nan 0.000 0.427 641 T N 2.204 116.816 114.554 0.096 0.000 2.921 641 T HA 0.486 4.836 4.350 -0.000 0.000 0.297 641 T C -1.192 173.595 174.700 0.146 0.000 1.013 641 T CA -0.733 61.462 62.100 0.158 0.000 0.990 641 T CB 0.659 69.675 68.868 0.247 0.000 1.023 641 T HN 0.259 nan 8.240 nan 0.000 0.447 642 L N 3.470 124.804 121.223 0.185 0.000 2.333 642 L HA 0.666 5.006 4.340 -0.000 0.000 0.280 642 L C -0.515 176.482 176.870 0.212 0.000 1.004 642 L CA -1.014 53.911 54.840 0.142 0.000 0.820 642 L CB 1.755 43.907 42.059 0.155 0.000 1.247 642 L HN 0.499 nan 8.230 nan 0.000 0.416 643 M N 4.496 124.161 119.600 0.108 0.000 2.036 643 M HA 0.426 4.906 4.480 -0.000 0.000 0.337 643 M C -1.540 174.865 176.300 0.175 0.000 1.012 643 M CA -0.137 55.287 55.300 0.207 0.000 0.962 643 M CB 0.300 33.004 32.600 0.172 0.000 1.423 643 M HN 0.184 nan 8.290 nan 0.000 0.405 644 F N 5.851 126.028 119.950 0.379 0.000 2.404 644 F HA 0.395 4.922 4.527 -0.000 0.000 0.359 644 F C 0.043 176.023 175.800 0.300 0.000 1.134 644 F CA -0.193 58.016 58.000 0.348 0.000 1.160 644 F CB 0.239 39.375 39.000 0.227 0.000 1.186 644 F HN 0.453 nan 8.300 nan 0.000 0.526 645 I N 4.674 125.516 120.570 0.454 0.000 2.294 645 I HA 0.100 4.269 4.170 -0.000 0.000 0.295 645 I C -0.222 176.063 176.117 0.280 0.000 1.098 645 I CA -0.315 61.219 61.300 0.391 0.000 1.277 645 I CB -0.085 38.177 38.000 0.437 0.000 1.434 645 I HN 0.489 nan 8.210 nan 0.000 0.498 646 N N 4.933 123.781 118.700 0.246 0.000 2.525 646 N HA 0.480 5.220 4.740 -0.000 0.000 0.271 646 N C -0.841 174.737 175.510 0.113 0.000 1.194 646 N CA -0.174 52.961 53.050 0.142 0.000 0.964 646 N CB 1.486 40.039 38.487 0.109 0.000 1.126 646 N HN 0.210 nan 8.380 nan 0.000 0.452 647 V N 0.224 120.170 119.914 0.054 0.000 2.971 647 V HA 0.391 4.511 4.120 -0.000 0.000 0.309 647 V C -0.701 175.405 176.094 0.019 0.000 1.130 647 V CA -0.963 61.380 62.300 0.072 0.000 0.964 647 V CB 2.194 34.085 31.823 0.114 0.000 1.029 647 V HN 0.672 nan 8.190 nan 0.000 0.427 648 S N 4.999 120.751 115.700 0.087 0.000 2.452 648 S HA 0.335 4.804 4.470 -0.000 0.000 0.284 648 S C -2.189 172.426 174.600 0.024 0.000 1.171 648 S CA -1.007 57.214 58.200 0.036 0.000 1.064 648 S CB 1.247 64.571 63.200 0.206 0.000 0.967 648 S HN 0.716 nan 8.310 nan 0.000 0.484 649 P HA 0.221 nan 4.420 nan 0.000 0.237 649 P C -1.024 176.151 177.300 -0.209 0.000 1.723 649 P CA 0.046 63.084 63.100 -0.103 0.000 0.882 649 P CB -0.649 30.783 31.700 -0.446 0.000 1.810 650 F N -0.627 119.536 119.950 0.355 0.000 2.593 650 F HA 0.359 4.885 4.527 -0.000 0.000 0.320 650 F C 1.778 177.714 175.800 0.227 0.000 1.060 650 F CA -0.991 57.155 58.000 0.243 0.000 0.940 650 F CB 1.092 40.190 39.000 0.162 0.000 1.268 650 F HN -0.191 nan 8.300 nan 0.000 0.475 651 Q N 1.261 121.292 119.800 0.386 0.000 2.119 651 Q HA -0.147 4.193 4.340 -0.000 0.000 0.201 651 Q C 1.273 177.415 176.000 0.237 0.000 0.972 651 Q CA 2.369 58.318 55.803 0.244 0.000 0.847 651 Q CB -0.347 28.466 28.738 0.125 0.000 0.903 651 Q HN 0.671 nan 8.270 nan 0.000 0.433 652 D N -1.551 118.976 120.400 0.211 0.000 2.348 652 D HA -0.086 4.553 4.640 -0.000 0.000 0.216 652 D C 0.620 177.039 176.300 0.198 0.000 0.970 652 D CA 0.571 54.666 54.000 0.158 0.000 0.889 652 D CB -0.578 40.273 40.800 0.085 0.000 0.912 652 D HN 0.259 nan 8.370 nan 0.000 0.524 653 C N -0.428 119.036 119.300 0.273 0.000 2.881 653 C HA 0.348 4.808 4.460 -0.000 0.000 0.290 653 C C 1.574 176.704 174.990 0.233 0.000 1.362 653 C CA -0.997 58.168 59.018 0.245 0.000 1.757 653 C CB -2.186 25.724 27.740 0.283 0.000 2.265 653 C HN 0.257 nan 8.230 nan 0.000 0.600 654 F N 2.128 122.143 119.950 0.108 0.000 2.069 654 F HA -0.216 4.310 4.527 -0.000 0.000 0.298 654 F C 2.503 178.345 175.800 0.070 0.000 1.113 654 F CA 1.830 59.869 58.000 0.065 0.000 1.214 654 F CB -0.031 38.987 39.000 0.030 0.000 0.978 654 F HN 0.157 nan 8.300 nan 0.000 0.474 655 Q N 0.425 120.361 119.800 0.227 0.000 2.030 655 Q HA -0.212 4.127 4.340 -0.000 0.000 0.204 655 Q C 2.211 178.234 176.000 0.037 0.000 0.986 655 Q CA 1.744 57.625 55.803 0.129 0.000 0.843 655 Q CB -0.699 28.133 28.738 0.156 0.000 0.904 655 Q HN 0.471 nan 8.270 nan 0.000 0.420 656 E N 0.327 120.565 120.200 0.064 0.000 2.028 656 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 656 E C 2.165 178.785 176.600 0.033 0.000 0.988 656 E CA 0.811 57.246 56.400 0.059 0.000 0.799 656 E CB -0.226 29.520 29.700 0.077 0.000 0.755 656 E HN 0.184 nan 8.360 nan 0.000 0.447 657 S N 0.506 116.218 115.700 0.020 0.000 2.387 657 S HA -0.135 4.335 4.470 -0.000 0.000 0.230 657 S C 2.163 176.696 174.600 -0.112 0.000 1.035 657 S CA 1.167 59.373 58.200 0.010 0.000 1.014 657 S CB -0.184 63.051 63.200 0.059 0.000 0.836 657 S HN 0.061 nan 8.310 nan 0.000 0.466 658 V N 1.349 121.137 119.914 -0.209 0.000 2.453 658 V HA -0.120 4.000 4.120 -0.000 0.000 0.247 658 V C 2.215 178.256 176.094 -0.089 0.000 1.048 658 V CA 1.430 63.613 62.300 -0.195 0.000 1.049 658 V CB -0.475 31.211 31.823 -0.229 0.000 0.672 658 V HN 0.397 nan 8.190 nan 0.000 0.457 659 K N 0.352 120.742 120.400 -0.017 0.000 2.002 659 K HA -0.132 4.188 4.320 -0.000 0.000 0.209 659 K C 2.462 179.106 176.600 0.073 0.000 1.048 659 K CA 1.806 58.124 56.287 0.051 0.000 0.930 659 K CB -0.384 32.166 32.500 0.083 0.000 0.714 659 K HN 0.394 nan 8.250 nan 0.000 0.438 660 S N 1.716 117.485 115.700 0.116 0.000 2.359 660 S HA -0.168 4.301 4.470 -0.000 0.000 0.223 660 S C 2.005 176.648 174.600 0.071 0.000 1.039 660 S CA 1.376 59.719 58.200 0.238 0.000 1.042 660 S CB -0.458 62.895 63.200 0.255 0.000 0.915 660 S HN 0.185 nan 8.310 nan 0.000 0.439 661 L N 0.827 121.966 121.223 -0.140 0.000 2.083 661 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 661 L C 2.689 179.228 176.870 -0.552 0.000 1.083 661 L CA 1.212 55.792 54.840 -0.433 0.000 0.752 661 L CB -0.461 40.896 42.059 -1.169 0.000 0.899 661 L HN 0.226 nan 8.230 nan 0.000 0.433 662 R N -0.140 120.146 120.500 -0.358 0.000 2.170 662 R HA -0.258 4.082 4.340 -0.000 0.000 0.242 662 R C 2.225 178.539 176.300 0.024 0.000 1.145 662 R CA 1.567 57.701 56.100 0.057 0.000 0.984 662 R CB -0.375 30.009 30.300 0.139 0.000 0.869 662 R HN 0.275 nan 8.270 nan 0.000 0.455 663 F N 0.517 120.364 119.950 -0.172 0.000 2.171 663 F HA -0.111 4.416 4.527 -0.000 0.000 0.300 663 F C 1.978 177.629 175.800 -0.247 0.000 1.090 663 F CA 1.294 59.157 58.000 -0.228 0.000 1.293 663 F CB -0.550 38.220 39.000 -0.383 0.000 1.013 663 F HN 0.077 nan 8.300 nan 0.000 0.486 664 A N 0.519 123.096 122.820 -0.405 0.000 1.940 664 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 664 A C 2.448 179.731 177.584 -0.501 0.000 1.176 664 A CA 1.765 53.400 52.037 -0.670 0.000 0.631 664 A CB -1.542 16.769 19.000 -1.149 0.000 0.814 664 A HN 0.522 nan 8.150 nan 0.000 0.446 665 A N -0.683 121.992 122.820 -0.242 0.000 1.902 665 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 665 A C 2.414 179.860 177.584 -0.229 0.000 1.181 665 A CA 2.010 53.959 52.037 -0.147 0.000 0.623 665 A CB -0.751 18.257 19.000 0.015 0.000 0.818 665 A HN 0.448 nan 8.150 nan 0.000 0.443 666 S N -0.557 114.964 115.700 -0.297 0.000 2.406 666 S HA -0.066 4.403 4.470 -0.000 0.000 0.228 666 S C 1.854 176.219 174.600 -0.391 0.000 1.020 666 S CA 1.182 59.204 58.200 -0.297 0.000 0.965 666 S CB -0.289 62.753 63.200 -0.263 0.000 0.798 666 S HN 0.362 nan 8.310 nan 0.000 0.488 667 V N 3.875 123.430 119.914 -0.598 0.000 2.244 667 V HA -0.216 3.904 4.120 -0.000 0.000 0.244 667 V C 2.019 177.911 176.094 -0.337 0.000 1.042 667 V CA 2.042 64.016 62.300 -0.543 0.000 1.006 667 V CB -1.018 30.389 31.823 -0.693 0.000 0.641 667 V HN 0.724 nan 8.190 nan 0.000 0.446 668 N N 1.085 119.594 118.700 -0.318 0.000 2.494 668 N HA -0.131 4.609 4.740 -0.000 0.000 0.182 668 N C 1.754 177.159 175.510 -0.175 0.000 1.076 668 N CA 1.000 53.915 53.050 -0.225 0.000 0.908 668 N CB -0.252 38.105 38.487 -0.217 0.000 0.967 668 N HN 0.549 nan 8.380 nan 0.000 0.449 669 S N 0.422 116.013 115.700 -0.182 0.000 2.419 669 S HA -0.091 4.379 4.470 -0.000 0.000 0.233 669 S C 0.996 175.527 174.600 -0.115 0.000 1.016 669 S CA 0.146 58.265 58.200 -0.136 0.000 0.974 669 S CB -0.823 62.298 63.200 -0.132 0.000 0.786 669 S HN 0.374 nan 8.310 nan 0.000 0.492 670 C N 5.695 124.919 119.300 -0.128 0.000 2.663 670 C HA 0.241 4.701 4.460 -0.000 0.000 0.379 670 C C 1.331 176.270 174.990 -0.085 0.000 1.255 670 C CA -1.303 57.654 59.018 -0.101 0.000 1.503 670 C CB -1.658 26.018 27.740 -0.106 0.000 2.187 670 C HN 0.582 nan 8.230 nan 0.000 0.580 671 K N 0.000 120.358 120.400 -0.070 0.000 2.780 671 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 671 K CA 0.000 56.252 56.287 -0.059 0.000 0.838 671 K CB 0.000 32.471 32.500 -0.048 0.000 1.064 671 K HN 0.000 nan 8.250 nan 0.000 0.543