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 2wmi_1_B DATA FIRST_RESID 422 DATA SEQUENCE VDKRREINNE HPLLMMPLYA NGEEFNQGKY TFWGGDTLTG KWENIPDDLK DATA SEQUENCE PYTVIQLHPD DLPKRDGAAR DFYEHMLEEA AKYVNPKTGK NEPIPVILTV DATA SEQUENCE YTAGNMPYYT SAHWLSTSWI DKMYQKYPNL HGIFSTENYW IWANDIENKA DATA SEQUENCE ADYLKVSAKN GGYFIWAEQN NGSAIEKAFG KNGKIAFQKS VDKYWKNLIF DATA SEQUENCE MFKNTPAAEG NDSTTESYMK GLWLSNHTYQ WGGLMDTWKW YETGKWKLFA DATA SEQUENCE SGNIGKSQGD RQWLTEPESM LGEEALGVYL NGGVVYNFEH PAYTYGVNNK DATA SEQUENCE ESLLFSEVIK EFFRYVIAHP APSKSKVLED TKVFIHGDYS NKGNGKFFVN DATA SEQUENCE VNTDREQTPL YMTGRYNVIP AIPGVLKTXX XXXXXXXXXX XIQIKEITSP DATA SEQUENCE EFSSTQARKE YLNKLYPMNY EGDIFAQKLD NRWFVYNYKV NENVKQTGKL DATA SEQUENCE KFNSLEMNVE FEPHTYGIFE RISNGLKVNL NNFRTNKDSL WSNAQDANQA DATA SEQUENCE KKLPQLTKKG AIKWIEEHYI KDTQFGEKRV TKIVLRGIDK LPTIHSLSGT DATA SEQUENCE NNSYDQPSLN FDQKNHMVTI TINSNGNLEF ELHF 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 422 V HA 0.000 nan 4.120 nan 0.000 0.244 422 V C 0.000 176.002 176.094 -0.153 0.000 1.182 422 V CA 0.000 62.220 62.300 -0.133 0.000 1.235 422 V CB 0.000 31.725 31.823 -0.163 0.000 1.184 423 D N 3.685 124.007 120.400 -0.131 0.000 2.455 423 D HA 0.181 4.822 4.640 0.001 0.000 0.241 423 D C 0.169 176.366 176.300 -0.171 0.000 1.138 423 D CA -0.041 53.880 54.000 -0.131 0.000 0.877 423 D CB 0.849 41.592 40.800 -0.096 0.000 1.187 423 D HN 0.282 nan 8.370 nan 0.000 0.451 424 K N 2.217 122.503 120.400 -0.191 0.000 2.436 424 K HA 0.054 4.374 4.320 0.001 0.000 0.275 424 K C 1.330 177.828 176.600 -0.171 0.000 0.999 424 K CA 0.019 56.167 56.287 -0.231 0.000 0.980 424 K CB 0.880 33.256 32.500 -0.207 0.000 0.919 424 K HN 0.348 nan 8.250 nan 0.000 0.484 425 R N 1.272 121.652 120.500 -0.200 0.000 2.193 425 R HA -0.079 4.261 4.340 0.001 0.000 0.213 425 R C 0.703 176.784 176.300 -0.365 0.000 1.055 425 R CA 0.965 56.901 56.100 -0.272 0.000 0.995 425 R CB 0.069 30.178 30.300 -0.317 0.000 0.893 425 R HN 0.630 nan 8.270 nan 0.000 0.459 426 R N -0.188 120.223 120.500 -0.150 0.000 2.734 426 R HA 0.343 4.684 4.340 0.001 0.000 0.271 426 R C -1.595 174.780 176.300 0.126 0.000 1.021 426 R CA -0.957 55.118 56.100 -0.041 0.000 0.893 426 R CB 1.120 31.405 30.300 -0.026 0.000 1.244 426 R HN -0.275 nan 8.270 nan 0.000 0.464 427 E N 1.345 121.575 120.200 0.050 0.000 2.231 427 E HA 0.497 4.847 4.350 0.001 0.000 0.277 427 E C -1.140 175.543 176.600 0.138 0.000 0.999 427 E CA -0.703 55.743 56.400 0.077 0.000 0.827 427 E CB 1.293 30.855 29.700 -0.231 0.000 1.101 427 E HN 0.552 nan 8.360 nan 0.000 0.393 428 I N 4.908 125.602 120.570 0.206 0.000 2.468 428 I HA 0.437 4.607 4.170 0.001 0.000 0.284 428 I C -0.751 175.474 176.117 0.180 0.000 1.038 428 I CA -0.691 60.689 61.300 0.133 0.000 1.083 428 I CB 1.058 38.984 38.000 -0.124 0.000 1.223 428 I HN 0.596 nan 8.210 nan 0.000 0.443 429 N N 3.522 122.328 118.700 0.177 0.000 3.387 429 N HA 0.124 4.864 4.740 0.001 0.000 0.294 429 N C 0.145 175.724 175.510 0.116 0.000 1.519 429 N CA -0.801 52.315 53.050 0.110 0.000 0.875 429 N CB -0.062 38.521 38.487 0.160 0.000 1.657 429 N HN 0.323 nan 8.380 nan 0.000 0.527 430 N N -0.025 118.730 118.700 0.092 0.000 2.149 430 N HA -0.210 4.530 4.740 0.001 0.000 0.188 430 N C 0.462 175.996 175.510 0.040 0.000 1.019 430 N CA 1.823 54.906 53.050 0.055 0.000 0.857 430 N CB -0.484 38.042 38.487 0.064 0.000 0.997 430 N HN 0.773 nan 8.380 nan 0.000 0.426 431 E N -0.904 119.341 120.200 0.075 0.000 2.371 431 E HA -0.034 4.317 4.350 0.001 0.000 0.194 431 E C -0.081 176.376 176.600 -0.239 0.000 1.012 431 E CA 0.463 56.822 56.400 -0.069 0.000 0.860 431 E CB -0.085 29.601 29.700 -0.023 0.000 0.811 431 E HN 0.648 nan 8.360 nan 0.000 0.502 432 H N 0.247 119.409 119.070 0.154 0.000 2.336 432 H HA 0.190 4.746 4.556 0.001 0.000 0.230 432 H C -2.370 173.126 175.328 0.281 0.000 1.426 432 H CA -1.929 54.299 56.048 0.301 0.000 1.359 432 H CB 0.332 30.249 29.762 0.258 0.000 1.555 432 H HN 0.097 nan 8.280 nan 0.000 0.512 433 P HA 0.110 nan 4.420 nan 0.000 0.275 433 P C -0.534 177.093 177.300 0.545 0.000 1.266 433 P CA -0.629 62.655 63.100 0.307 0.000 0.793 433 P CB 1.705 33.520 31.700 0.192 0.000 1.074 434 L N 0.635 122.187 121.223 0.549 0.000 2.439 434 L HA 0.495 4.836 4.340 0.001 0.000 0.270 434 L C -1.501 175.558 176.870 0.314 0.000 0.972 434 L CA -0.865 54.230 54.840 0.425 0.000 0.836 434 L CB 1.419 43.582 42.059 0.174 0.000 1.255 434 L HN 0.107 nan 8.230 nan 0.000 0.404 435 L N 5.686 126.936 121.223 0.045 0.000 2.277 435 L HA 0.576 4.917 4.340 0.001 0.000 0.284 435 L C -0.468 176.413 176.870 0.019 0.000 1.028 435 L CA -0.135 54.581 54.840 -0.207 0.000 0.835 435 L CB 1.053 42.598 42.059 -0.856 0.000 1.215 435 L HN 0.704 nan 8.230 nan 0.000 0.425 436 M N 6.001 125.624 119.600 0.038 0.000 2.228 436 M HA 0.278 4.758 4.480 0.001 0.000 0.351 436 M C -0.381 175.919 176.300 -0.000 0.000 1.233 436 M CA 0.664 55.954 55.300 -0.016 0.000 1.129 436 M CB 0.678 33.195 32.600 -0.138 0.000 1.604 436 M HN 0.448 nan 8.290 nan 0.000 0.457 437 M N 5.524 125.049 119.600 -0.125 0.000 2.016 437 M HA 0.360 4.841 4.480 0.001 0.000 0.315 437 M C -2.436 173.639 176.300 -0.376 0.000 0.930 437 M CA -2.175 52.915 55.300 -0.350 0.000 0.899 437 M CB 0.474 32.981 32.600 -0.155 0.000 1.401 437 M HN 0.239 nan 8.290 nan 0.000 0.386 438 P HA 0.373 nan 4.420 nan 0.000 0.275 438 P C -0.971 176.266 177.300 -0.105 0.000 1.227 438 P CA -0.211 62.814 63.100 -0.124 0.000 0.781 438 P CB 1.313 33.074 31.700 0.101 0.000 0.906 439 L N 3.385 124.600 121.223 -0.013 0.000 2.441 439 L HA 0.352 4.692 4.340 0.001 0.000 0.270 439 L C -0.711 176.319 176.870 0.267 0.000 0.973 439 L CA -0.871 53.876 54.840 -0.155 0.000 0.842 439 L CB 1.452 42.971 42.059 -0.900 0.000 1.239 439 L HN 0.304 nan 8.230 nan 0.000 0.406 440 Y N 2.043 122.488 120.300 0.240 0.000 2.341 440 Y HA 0.459 5.009 4.550 0.001 0.000 0.340 440 Y C 0.846 177.067 175.900 0.535 0.000 0.997 440 Y CA -0.809 57.509 58.100 0.363 0.000 1.149 440 Y CB 1.619 40.200 38.460 0.202 0.000 1.171 440 Y HN 0.613 nan 8.280 nan 0.000 0.494 441 A N 3.816 126.824 122.820 0.314 0.000 2.566 441 A HA -0.037 4.284 4.320 0.001 0.000 0.245 441 A C 0.541 178.047 177.584 -0.130 0.000 1.056 441 A CA -0.171 51.682 52.037 -0.306 0.000 0.757 441 A CB -0.184 18.085 19.000 -1.217 0.000 0.979 441 A HN 0.739 nan 8.150 nan 0.000 0.508 442 N N 2.656 121.141 118.700 -0.358 0.000 2.439 442 N HA 0.179 4.920 4.740 0.001 0.000 0.243 442 N C 1.205 176.535 175.510 -0.301 0.000 1.088 442 N CA 0.636 53.275 53.050 -0.684 0.000 0.940 442 N CB 0.985 38.891 38.487 -0.969 0.000 1.180 442 N HN 0.619 nan 8.380 nan 0.000 0.505 443 G N 2.796 111.559 108.800 -0.061 0.000 2.421 443 G HA2 -0.151 3.810 3.960 0.001 0.000 0.217 443 G HA3 -0.151 3.810 3.960 0.001 0.000 0.217 443 G C 1.133 176.074 174.900 0.067 0.000 1.143 443 G CA 0.327 45.427 45.100 -0.001 0.000 0.784 443 G HN 0.625 nan 8.290 nan 0.000 0.541 444 E N 0.550 120.790 120.200 0.066 0.000 2.077 444 E HA -0.110 4.240 4.350 0.001 0.000 0.193 444 E C 2.311 178.889 176.600 -0.037 0.000 0.989 444 E CA 1.017 57.447 56.400 0.050 0.000 0.800 444 E CB -0.089 29.681 29.700 0.117 0.000 0.746 444 E HN 0.536 nan 8.360 nan 0.000 0.452 445 E N 0.103 120.225 120.200 -0.130 0.000 2.208 445 E HA -0.131 4.219 4.350 0.001 0.000 0.193 445 E C 1.767 178.298 176.600 -0.115 0.000 0.988 445 E CA 0.294 56.612 56.400 -0.138 0.000 0.828 445 E CB -0.106 29.477 29.700 -0.196 0.000 0.763 445 E HN 0.171 nan 8.360 nan 0.000 0.478 446 F N 2.660 122.466 119.950 -0.241 0.000 2.161 446 F HA -0.185 4.342 4.527 0.001 0.000 0.300 446 F C 1.731 177.393 175.800 -0.231 0.000 1.089 446 F CA 1.243 59.073 58.000 -0.284 0.000 1.282 446 F CB -0.046 38.807 39.000 -0.245 0.000 1.010 446 F HN -0.068 nan 8.300 nan 0.000 0.485 447 N N 0.392 119.046 118.700 -0.078 0.000 2.364 447 N HA -0.165 4.576 4.740 0.001 0.000 0.183 447 N C 1.396 176.793 175.510 -0.188 0.000 1.022 447 N CA 1.160 54.130 53.050 -0.133 0.000 0.883 447 N CB -0.385 38.086 38.487 -0.028 0.000 0.965 447 N HN 0.554 nan 8.380 nan 0.000 0.438 448 Q N -0.961 118.729 119.800 -0.183 0.000 2.360 448 Q HA 0.227 4.567 4.340 0.001 0.000 0.202 448 Q C 0.594 176.469 176.000 -0.209 0.000 0.915 448 Q CA 0.250 55.957 55.803 -0.159 0.000 0.943 448 Q CB 0.570 29.241 28.738 -0.112 0.000 1.064 448 Q HN 0.373 nan 8.270 nan 0.000 0.511 449 G N 1.371 109.964 108.800 -0.344 0.000 2.141 449 G HA2 -0.258 3.703 3.960 0.001 0.000 0.242 449 G HA3 -0.258 3.703 3.960 0.001 0.000 0.242 449 G C -0.152 174.542 174.900 -0.342 0.000 0.982 449 G CA -0.067 44.805 45.100 -0.380 0.000 0.662 449 G HN 0.193 nan 8.290 nan 0.000 0.527 450 K N -0.814 119.385 120.400 -0.335 0.000 2.166 450 K HA 0.653 4.974 4.320 0.001 0.000 0.245 450 K C -0.963 175.440 176.600 -0.327 0.000 0.967 450 K CA -0.894 55.267 56.287 -0.210 0.000 0.863 450 K CB 1.302 33.730 32.500 -0.119 0.000 1.107 450 K HN 0.134 nan 8.250 nan 0.000 0.436 451 Y N 1.127 121.304 120.300 -0.204 0.000 2.686 451 Y HA 0.199 4.749 4.550 0.001 0.000 0.331 451 Y C 0.061 175.776 175.900 -0.308 0.000 0.996 451 Y CA -0.592 57.318 58.100 -0.317 0.000 1.293 451 Y CB 1.248 39.176 38.460 -0.887 0.000 1.092 451 Y HN 0.598 nan 8.280 nan 0.000 0.524 452 T N -1.793 112.691 114.554 -0.116 0.000 2.838 452 T HA 0.748 5.099 4.350 0.001 0.000 0.292 452 T C -1.057 173.419 174.700 -0.373 0.000 1.113 452 T CA -0.882 61.083 62.100 -0.225 0.000 1.008 452 T CB 1.748 70.543 68.868 -0.121 0.000 1.259 452 T HN 0.048 nan 8.240 nan 0.000 0.520 453 F N -0.445 119.575 119.950 0.117 0.000 2.532 453 F HA 0.563 5.091 4.527 0.001 0.000 0.321 453 F C -0.355 175.473 175.800 0.046 0.000 1.089 453 F CA -1.428 56.648 58.000 0.126 0.000 0.926 453 F CB 1.218 40.352 39.000 0.223 0.000 1.168 453 F HN 0.648 nan 8.300 nan 0.000 0.459 454 W N 2.044 123.543 121.300 0.332 0.000 2.343 454 W HA 0.345 5.005 4.660 0.001 0.000 0.337 454 W C 1.230 177.883 176.519 0.223 0.000 1.320 454 W CA 1.575 59.058 57.345 0.230 0.000 1.290 454 W CB 0.049 29.622 29.460 0.188 0.000 1.206 454 W HN 0.889 nan 8.180 nan 0.000 0.565 455 G N 1.154 110.227 108.800 0.455 0.000 2.213 455 G HA2 -0.093 3.867 3.960 0.001 0.000 0.236 455 G HA3 -0.093 3.867 3.960 0.001 0.000 0.236 455 G C 0.987 176.032 174.900 0.242 0.000 0.991 455 G CA 0.247 45.544 45.100 0.328 0.000 0.629 455 G HN 1.822 nan 8.290 nan 0.000 0.517 456 G N -0.534 108.407 108.800 0.235 0.000 2.179 456 G HA2 -0.236 3.725 3.960 0.001 0.000 0.260 456 G HA3 -0.236 3.725 3.960 0.001 0.000 0.260 456 G C 0.084 175.101 174.900 0.195 0.000 0.977 456 G CA 0.841 46.052 45.100 0.186 0.000 0.641 456 G HN 0.958 nan 8.290 nan 0.000 0.533 457 D N 1.316 121.844 120.400 0.213 0.000 2.400 457 D HA 0.463 5.104 4.640 0.001 0.000 0.238 457 D C 1.176 177.649 176.300 0.288 0.000 1.157 457 D CA 1.372 55.474 54.000 0.171 0.000 0.889 457 D CB 0.964 41.805 40.800 0.068 0.000 1.199 457 D HN 0.533 nan 8.370 nan 0.000 0.436 458 T N -1.476 113.215 114.554 0.229 0.000 2.912 458 T HA 0.338 4.689 4.350 0.001 0.000 0.288 458 T C 1.283 176.112 174.700 0.215 0.000 1.030 458 T CA -0.948 61.337 62.100 0.309 0.000 1.020 458 T CB 1.319 70.317 68.868 0.216 0.000 1.056 458 T HN 0.295 nan 8.240 nan 0.000 0.480 459 L N 1.139 122.537 121.223 0.290 0.000 2.012 459 L HA -0.093 4.248 4.340 0.001 0.000 0.210 459 L C 2.618 179.539 176.870 0.085 0.000 1.073 459 L CA 1.855 56.769 54.840 0.124 0.000 0.748 459 L CB -0.690 41.474 42.059 0.175 0.000 0.891 459 L HN 0.911 nan 8.230 nan 0.000 0.431 460 T N -0.718 113.909 114.554 0.123 0.000 2.737 460 T HA -0.092 4.258 4.350 0.001 0.000 0.265 460 T C 1.588 176.386 174.700 0.163 0.000 1.038 460 T CA 1.163 63.347 62.100 0.141 0.000 1.144 460 T CB -0.573 68.426 68.868 0.218 0.000 0.866 460 T HN 0.623 nan 8.240 nan 0.000 0.434 461 G N 1.560 110.447 108.800 0.146 0.000 2.421 461 G HA2 -0.248 3.713 3.960 0.001 0.000 0.216 461 G HA3 -0.248 3.713 3.960 0.001 0.000 0.216 461 G C 1.621 176.569 174.900 0.081 0.000 1.171 461 G CA 1.321 46.492 45.100 0.118 0.000 0.775 461 G HN 0.357 nan 8.290 nan 0.000 0.543 462 K N 0.197 120.639 120.400 0.070 0.000 2.009 462 K HA -0.128 4.193 4.320 0.001 0.000 0.210 462 K C 2.092 178.713 176.600 0.035 0.000 1.049 462 K CA 1.419 57.721 56.287 0.024 0.000 0.929 462 K CB -0.782 31.710 32.500 -0.014 0.000 0.714 462 K HN 0.489 nan 8.250 nan 0.000 0.440 463 W N 1.670 122.890 121.300 -0.133 0.000 2.318 463 W HA -0.251 4.410 4.660 0.001 0.000 0.313 463 W C 1.528 177.976 176.519 -0.118 0.000 1.221 463 W CA 2.072 59.310 57.345 -0.178 0.000 1.266 463 W CB -0.149 29.107 29.460 -0.339 0.000 1.150 463 W HN 0.285 nan 8.180 nan 0.000 0.496 464 E N -0.097 120.080 120.200 -0.038 0.000 2.118 464 E HA -0.247 4.104 4.350 0.001 0.000 0.195 464 E C 1.590 178.130 176.600 -0.100 0.000 0.992 464 E CA 1.368 57.749 56.400 -0.032 0.000 0.804 464 E CB -0.311 29.473 29.700 0.139 0.000 0.741 464 E HN 0.210 nan 8.360 nan 0.000 0.458 465 N N 0.308 118.962 118.700 -0.077 0.000 2.494 465 N HA 0.014 4.755 4.740 0.001 0.000 0.182 465 N C 0.210 175.656 175.510 -0.106 0.000 1.076 465 N CA 0.358 53.369 53.050 -0.065 0.000 0.908 465 N CB 0.088 38.559 38.487 -0.027 0.000 0.967 465 N HN 0.146 nan 8.380 nan 0.000 0.449 466 I N 2.594 123.037 120.570 -0.211 0.000 2.598 466 I HA 0.025 4.196 4.170 0.001 0.000 0.284 466 I C -1.954 174.058 176.117 -0.175 0.000 1.140 466 I CA -1.445 59.728 61.300 -0.212 0.000 1.420 466 I CB 0.313 38.080 38.000 -0.387 0.000 1.387 466 I HN -0.241 nan 8.210 nan 0.000 0.553 467 P HA -0.067 nan 4.420 nan 0.000 0.264 467 P C 0.090 177.360 177.300 -0.049 0.000 1.179 467 P CA 0.158 63.249 63.100 -0.015 0.000 0.763 467 P CB 0.488 32.220 31.700 0.053 0.000 0.806 468 D N 1.842 122.217 120.400 -0.041 0.000 2.149 468 D HA -0.182 4.459 4.640 0.001 0.000 0.198 468 D C 1.377 177.686 176.300 0.015 0.000 0.990 468 D CA 1.363 55.342 54.000 -0.036 0.000 0.839 468 D CB -0.385 40.409 40.800 -0.010 0.000 0.948 468 D HN 0.559 nan 8.370 nan 0.000 0.460 469 D N 0.316 120.744 120.400 0.047 0.000 2.263 469 D HA -0.151 4.490 4.640 0.001 0.000 0.208 469 D C 2.020 178.441 176.300 0.202 0.000 0.971 469 D CA 0.484 54.543 54.000 0.099 0.000 0.867 469 D CB -0.431 40.409 40.800 0.067 0.000 0.929 469 D HN 0.296 nan 8.370 nan 0.000 0.492 470 L N -0.325 121.005 121.223 0.178 0.000 2.416 470 L HA 0.092 4.432 4.340 0.001 0.000 0.216 470 L C 2.488 179.505 176.870 0.246 0.000 1.098 470 L CA 0.030 55.059 54.840 0.315 0.000 0.840 470 L CB -0.070 42.159 42.059 0.284 0.000 0.981 470 L HN -0.129 nan 8.230 nan 0.000 0.462 471 K N 0.784 121.195 120.400 0.019 0.000 2.113 471 K HA -0.188 4.132 4.320 0.001 0.000 0.208 471 K C -0.613 176.054 176.600 0.111 0.000 1.047 471 K CA 1.521 57.749 56.287 -0.098 0.000 0.928 471 K CB -0.976 31.376 32.500 -0.247 0.000 0.716 471 K HN 0.298 nan 8.250 nan 0.000 0.446 472 P HA -0.092 nan 4.420 nan 0.000 0.237 472 P C 0.089 177.161 177.300 -0.380 0.000 1.178 472 P CA 1.033 63.975 63.100 -0.264 0.000 0.766 472 P CB 0.115 31.465 31.700 -0.584 0.000 0.876 473 Y N -1.609 118.866 120.300 0.291 0.000 2.500 473 Y HA 0.224 4.774 4.550 0.001 0.000 0.246 473 Y C 0.925 177.060 175.900 0.392 0.000 1.146 473 Y CA -0.318 58.007 58.100 0.375 0.000 1.230 473 Y CB -0.249 38.479 38.460 0.446 0.000 1.214 473 Y HN -0.143 nan 8.280 nan 0.000 0.526 474 T N -1.529 113.271 114.554 0.410 0.000 2.863 474 T HA 0.795 5.146 4.350 0.001 0.000 0.285 474 T C -0.922 173.981 174.700 0.337 0.000 1.009 474 T CA -0.783 61.508 62.100 0.318 0.000 0.989 474 T CB 2.189 71.217 68.868 0.267 0.000 1.004 474 T HN -0.216 nan 8.240 nan 0.000 0.455 475 V N 3.748 123.781 119.914 0.198 0.000 2.686 475 V HA 0.383 4.503 4.120 0.001 0.000 0.306 475 V C -0.189 175.911 176.094 0.010 0.000 1.065 475 V CA -1.177 61.175 62.300 0.086 0.000 0.894 475 V CB 1.921 33.764 31.823 0.034 0.000 1.004 475 V HN 0.885 nan 8.190 nan 0.000 0.424 476 I N 4.217 124.752 120.570 -0.058 0.000 2.587 476 I HA 0.107 4.278 4.170 0.001 0.000 0.284 476 I C 0.491 176.529 176.117 -0.131 0.000 1.134 476 I CA 0.725 61.960 61.300 -0.107 0.000 1.410 476 I CB 0.501 38.404 38.000 -0.162 0.000 1.392 476 I HN 0.768 nan 8.210 nan 0.000 0.545 477 Q N 7.832 127.559 119.800 -0.122 0.000 2.400 477 Q HA 0.389 4.730 4.340 0.001 0.000 0.255 477 Q C -1.234 174.751 176.000 -0.025 0.000 1.008 477 Q CA -0.654 55.092 55.803 -0.094 0.000 0.841 477 Q CB 1.079 29.744 28.738 -0.123 0.000 1.220 477 Q HN 0.575 nan 8.270 nan 0.000 0.474 478 L N 3.668 124.886 121.223 -0.009 0.000 2.397 478 L HA 0.332 4.673 4.340 0.001 0.000 0.271 478 L C 0.217 177.221 176.870 0.222 0.000 1.148 478 L CA -0.288 54.645 54.840 0.155 0.000 0.825 478 L CB 0.582 42.749 42.059 0.179 0.000 1.117 478 L HN 0.544 nan 8.230 nan 0.000 0.456 479 H N 5.032 124.175 119.070 0.122 0.000 2.667 479 H HA 0.293 4.850 4.556 0.001 0.000 0.353 479 H C -2.305 172.944 175.328 -0.132 0.000 1.072 479 H CA -1.847 54.121 56.048 -0.133 0.000 1.214 479 H CB 3.021 32.294 29.762 -0.815 0.000 1.600 479 H HN 0.297 nan 8.280 nan 0.000 0.527 480 P HA -0.005 nan 4.420 nan 0.000 0.245 480 P C 0.591 177.812 177.300 -0.132 0.000 1.206 480 P CA 0.394 63.319 63.100 -0.292 0.000 0.781 480 P CB 0.954 32.401 31.700 -0.422 0.000 0.994 481 D N 2.012 122.532 120.400 0.200 0.000 4.078 481 D HA -0.239 4.402 4.640 0.001 0.000 0.196 481 D C 0.346 176.710 176.300 0.107 0.000 0.717 481 D CA 2.529 56.661 54.000 0.221 0.000 0.950 481 D CB -1.370 39.631 40.800 0.335 0.000 0.423 481 D HN 0.268 nan 8.370 nan 0.000 0.373 482 D N 0.703 121.190 120.400 0.145 0.000 2.615 482 D HA 0.131 4.772 4.640 0.001 0.000 0.236 482 D C 0.543 176.855 176.300 0.021 0.000 1.233 482 D CA -0.334 53.734 54.000 0.113 0.000 0.829 482 D CB -1.049 39.870 40.800 0.198 0.000 1.024 482 D HN 0.417 nan 8.370 nan 0.000 0.490 483 L N 0.947 122.087 121.223 -0.138 0.000 2.529 483 L HA 0.090 4.431 4.340 0.001 0.000 0.287 483 L C -1.639 175.139 176.870 -0.153 0.000 1.241 483 L CA -1.104 53.564 54.840 -0.287 0.000 0.857 483 L CB -0.197 41.526 42.059 -0.560 0.000 1.113 483 L HN -0.085 nan 8.230 nan 0.000 0.504 484 P HA -0.036 nan 4.420 nan 0.000 0.265 484 P C -1.117 176.112 177.300 -0.119 0.000 1.187 484 P CA 0.178 63.237 63.100 -0.069 0.000 0.766 484 P CB 0.247 31.931 31.700 -0.027 0.000 0.820 485 K N 4.207 124.559 120.400 -0.080 0.000 2.222 485 K HA 0.236 4.556 4.320 0.001 0.000 0.243 485 K C 0.696 177.021 176.600 -0.457 0.000 1.160 485 K CA -0.298 55.973 56.287 -0.027 0.000 1.090 485 K CB 0.017 32.606 32.500 0.149 0.000 1.694 485 K HN 0.509 nan 8.250 nan 0.000 0.361 486 R N -0.789 119.164 120.500 -0.912 0.000 2.733 486 R HA 0.251 4.592 4.340 0.001 0.000 0.272 486 R C -1.626 173.809 176.300 -1.442 0.000 1.029 486 R CA -1.076 54.219 56.100 -1.342 0.000 0.888 486 R CB 0.555 30.495 30.300 -0.600 0.000 1.251 486 R HN 0.117 nan 8.270 nan 0.000 0.464 487 D N -0.666 118.885 120.400 -1.414 0.000 2.443 487 D HA 0.356 4.997 4.640 0.001 0.000 0.239 487 D C 1.187 177.268 176.300 -0.365 0.000 1.136 487 D CA 2.240 55.745 54.000 -0.827 0.000 0.879 487 D CB 0.789 41.320 40.800 -0.448 0.000 1.195 487 D HN 0.787 nan 8.370 nan 0.000 0.443 488 G N 2.029 110.709 108.800 -0.200 0.000 2.284 488 G HA2 -0.327 3.634 3.960 0.001 0.000 0.230 488 G HA3 -0.327 3.634 3.960 0.001 0.000 0.230 488 G C 1.211 176.059 174.900 -0.087 0.000 1.021 488 G CA 0.506 45.537 45.100 -0.116 0.000 0.619 488 G HN 0.866 nan 8.290 nan 0.000 0.510 489 A N 0.889 123.625 122.820 -0.141 0.000 1.855 489 A HA 0.447 4.768 4.320 0.001 0.000 0.215 489 A C 2.874 180.246 177.584 -0.353 0.000 1.191 489 A CA 3.253 55.183 52.037 -0.179 0.000 0.613 489 A CB -1.037 17.806 19.000 -0.261 0.000 0.829 489 A HN 1.817 nan 8.150 nan 0.000 0.442 490 A N -0.354 122.241 122.820 -0.374 0.000 1.902 490 A HA -0.153 4.167 4.320 0.001 0.000 0.217 490 A C 2.240 179.551 177.584 -0.455 0.000 1.181 490 A CA 1.493 53.210 52.037 -0.533 0.000 0.623 490 A CB -0.496 18.174 19.000 -0.550 0.000 0.818 490 A HN 0.538 nan 8.150 nan 0.000 0.443 491 R N -0.553 119.703 120.500 -0.406 0.000 2.091 491 R HA -0.171 4.170 4.340 0.001 0.000 0.238 491 R C 2.008 178.357 176.300 0.081 0.000 1.136 491 R CA 1.540 57.419 56.100 -0.369 0.000 0.959 491 R CB -0.413 29.573 30.300 -0.525 0.000 0.856 491 R HN 0.661 nan 8.270 nan 0.000 0.437 492 D N 0.317 120.787 120.400 0.116 0.000 2.084 492 D HA -0.192 4.448 4.640 0.001 0.000 0.196 492 D C 1.672 178.238 176.300 0.442 0.000 0.985 492 D CA 1.152 55.337 54.000 0.309 0.000 0.826 492 D CB -0.195 40.833 40.800 0.379 0.000 0.978 492 D HN 0.116 nan 8.370 nan 0.000 0.456 493 F N -0.072 119.998 119.950 0.200 0.000 2.102 493 F HA -0.245 4.282 4.527 0.001 0.000 0.298 493 F C 2.105 178.098 175.800 0.321 0.000 1.105 493 F CA 1.431 59.568 58.000 0.230 0.000 1.239 493 F CB -0.327 38.536 39.000 -0.227 0.000 0.991 493 F HN -0.035 nan 8.300 nan 0.000 0.474 494 Y N 1.071 121.596 120.300 0.375 0.000 2.181 494 Y HA -0.173 4.377 4.550 0.001 0.000 0.288 494 Y C 2.466 178.497 175.900 0.218 0.000 1.146 494 Y CA 1.443 59.735 58.100 0.320 0.000 1.164 494 Y CB -1.247 37.457 38.460 0.406 0.000 0.982 494 Y HN 0.247 nan 8.280 nan 0.000 0.515 495 E N -1.255 119.218 120.200 0.456 0.000 2.110 495 E HA -0.246 4.105 4.350 0.001 0.000 0.193 495 E C 2.195 178.860 176.600 0.109 0.000 0.988 495 E CA 1.010 57.586 56.400 0.294 0.000 0.804 495 E CB -0.338 29.581 29.700 0.367 0.000 0.745 495 E HN 0.477 nan 8.360 nan 0.000 0.458 496 H N 0.489 119.537 119.070 -0.038 0.000 2.319 496 H HA -0.144 4.412 4.556 0.001 0.000 0.297 496 H C 1.906 177.085 175.328 -0.248 0.000 1.097 496 H CA 1.531 57.416 56.048 -0.271 0.000 1.285 496 H CB 0.176 29.544 29.762 -0.656 0.000 1.368 496 H HN 0.127 nan 8.280 nan 0.000 0.495 497 M N 0.102 119.680 119.600 -0.036 0.000 2.288 497 M HA -0.061 4.420 4.480 0.001 0.000 0.266 497 M C 2.775 178.986 176.300 -0.148 0.000 1.072 497 M CA 0.570 55.847 55.300 -0.039 0.000 1.132 497 M CB -0.746 31.904 32.600 0.083 0.000 1.386 497 M HN 0.231 nan 8.290 nan 0.000 0.432 498 L N -0.184 120.891 121.223 -0.247 0.000 2.093 498 L HA -0.178 4.163 4.340 0.001 0.000 0.208 498 L C 2.602 179.169 176.870 -0.505 0.000 1.085 498 L CA 0.939 55.437 54.840 -0.570 0.000 0.755 498 L CB -0.480 40.948 42.059 -1.052 0.000 0.904 498 L HN 0.255 nan 8.230 nan 0.000 0.435 499 E N 0.033 120.070 120.200 -0.272 0.000 2.058 499 E HA -0.291 4.060 4.350 0.001 0.000 0.194 499 E C 1.977 178.498 176.600 -0.131 0.000 0.997 499 E CA 1.390 57.729 56.400 -0.101 0.000 0.801 499 E CB -0.128 29.508 29.700 -0.107 0.000 0.746 499 E HN 0.512 nan 8.360 nan 0.000 0.450 500 E N 0.551 120.636 120.200 -0.193 0.000 2.038 500 E HA -0.212 4.139 4.350 0.001 0.000 0.195 500 E C 2.039 178.597 176.600 -0.070 0.000 1.000 500 E CA 1.238 57.563 56.400 -0.124 0.000 0.803 500 E CB -0.075 29.563 29.700 -0.102 0.000 0.750 500 E HN 0.169 nan 8.360 nan 0.000 0.448 501 A N 1.267 124.009 122.820 -0.130 0.000 1.892 501 A HA -0.195 4.126 4.320 0.001 0.000 0.218 501 A C 2.432 179.950 177.584 -0.111 0.000 1.188 501 A CA 2.312 54.242 52.037 -0.179 0.000 0.631 501 A CB -0.970 17.863 19.000 -0.279 0.000 0.822 501 A HN 0.454 nan 8.150 nan 0.000 0.447 502 A N -1.019 121.755 122.820 -0.076 0.000 1.933 502 A HA -0.097 4.224 4.320 0.001 0.000 0.218 502 A C 1.991 179.598 177.584 0.039 0.000 1.175 502 A CA 2.074 54.123 52.037 0.020 0.000 0.628 502 A CB -0.277 18.820 19.000 0.161 0.000 0.814 502 A HN 0.397 nan 8.150 nan 0.000 0.444 503 K N -1.524 118.895 120.400 0.031 0.000 2.444 503 K HA 0.133 4.454 4.320 0.001 0.000 0.193 503 K C 0.121 176.753 176.600 0.052 0.000 1.024 503 K CA -0.313 55.990 56.287 0.027 0.000 1.077 503 K CB -0.318 32.182 32.500 -0.000 0.000 0.833 503 K HN 0.554 nan 8.250 nan 0.000 0.517 504 Y N 0.654 120.928 120.300 -0.044 0.000 2.810 504 Y HA 0.026 4.576 4.550 0.001 0.000 0.332 504 Y C -0.447 175.460 175.900 0.012 0.000 1.243 504 Y CA -0.068 58.022 58.100 -0.017 0.000 1.537 504 Y CB 0.418 38.854 38.460 -0.040 0.000 1.265 504 Y HN -0.287 nan 8.280 nan 0.000 0.572 505 V N 7.288 126.799 119.914 -0.673 0.000 2.384 505 V HA 0.110 4.230 4.120 0.001 0.000 0.287 505 V C -0.189 175.373 176.094 -0.886 0.000 1.020 505 V CA -1.316 60.638 62.300 -0.577 0.000 0.850 505 V CB 1.262 32.926 31.823 -0.266 0.000 0.987 505 V HN 0.806 nan 8.190 nan 0.000 0.436 506 N N 8.273 126.629 118.700 -0.574 0.000 2.411 506 N HA 0.067 4.807 4.740 0.001 0.000 0.282 506 N C -1.183 174.249 175.510 -0.130 0.000 1.322 506 N CA -1.499 51.415 53.050 -0.227 0.000 0.943 506 N CB 1.183 39.691 38.487 0.035 0.000 1.266 506 N HN 0.359 nan 8.380 nan 0.000 0.486 507 P HA -0.112 nan 4.420 nan 0.000 0.230 507 P C 0.920 178.214 177.300 -0.012 0.000 1.158 507 P CA 0.827 63.898 63.100 -0.048 0.000 0.769 507 P CB 0.417 32.111 31.700 -0.009 0.000 0.807 508 K N 0.663 121.069 120.400 0.009 0.000 2.116 508 K HA -0.042 4.278 4.320 0.001 0.000 0.203 508 K C 1.647 178.252 176.600 0.009 0.000 1.052 508 K CA 1.864 58.161 56.287 0.016 0.000 0.952 508 K CB -0.045 32.475 32.500 0.033 0.000 0.729 508 K HN 0.171 nan 8.250 nan 0.000 0.446 509 T N -4.252 110.305 114.554 0.005 0.000 3.010 509 T HA 0.204 4.554 4.350 0.001 0.000 0.257 509 T C 1.276 175.968 174.700 -0.012 0.000 1.020 509 T CA 0.574 62.677 62.100 0.004 0.000 0.938 509 T CB 0.597 69.477 68.868 0.020 0.000 1.049 509 T HN 0.317 nan 8.240 nan 0.000 0.522 510 G N 1.812 110.592 108.800 -0.033 0.000 2.205 510 G HA2 -0.316 3.644 3.960 0.001 0.000 0.269 510 G HA3 -0.316 3.644 3.960 0.001 0.000 0.269 510 G C 0.077 174.948 174.900 -0.048 0.000 0.977 510 G CA 0.648 45.720 45.100 -0.046 0.000 0.652 510 G HN 0.680 nan 8.290 nan 0.000 0.539 511 K N 0.320 120.697 120.400 -0.037 0.000 2.270 511 K HA 0.226 4.547 4.320 0.001 0.000 0.276 511 K C 0.300 176.873 176.600 -0.045 0.000 1.023 511 K CA -0.540 55.733 56.287 -0.022 0.000 0.955 511 K CB 0.395 32.900 32.500 0.009 0.000 0.975 511 K HN 0.183 nan 8.250 nan 0.000 0.471 512 N N 2.752 121.436 118.700 -0.027 0.000 2.416 512 N HA -0.049 4.692 4.740 0.001 0.000 0.265 512 N C -1.245 174.288 175.510 0.038 0.000 1.195 512 N CA 0.397 53.437 53.050 -0.017 0.000 0.943 512 N CB 0.417 38.901 38.487 -0.005 0.000 1.115 512 N HN 0.384 nan 8.380 nan 0.000 0.481 513 E N 4.249 124.506 120.200 0.095 0.000 2.346 513 E HA 0.263 4.613 4.350 0.001 0.000 0.239 513 E C -2.369 174.359 176.600 0.213 0.000 0.943 513 E CA -1.938 54.570 56.400 0.179 0.000 0.751 513 E CB 1.075 30.931 29.700 0.261 0.000 1.241 513 E HN 0.523 nan 8.360 nan 0.000 0.423 514 P HA -0.070 nan 4.420 nan 0.000 0.263 514 P C -0.377 176.799 177.300 -0.206 0.000 1.175 514 P CA 0.540 63.628 63.100 -0.019 0.000 0.761 514 P CB 0.482 32.173 31.700 -0.014 0.000 0.794 515 I N 6.035 126.351 120.570 -0.424 0.000 2.416 515 I HA 0.172 4.342 4.170 0.001 0.000 0.288 515 I C -1.737 173.952 176.117 -0.713 0.000 1.051 515 I CA -2.291 58.457 61.300 -0.920 0.000 1.375 515 I CB 0.882 38.209 38.000 -1.122 0.000 1.407 515 I HN 0.173 nan 8.210 nan 0.000 0.516 516 P HA 0.165 nan 4.420 nan 0.000 0.276 516 P C -0.768 176.223 177.300 -0.515 0.000 1.230 516 P CA -0.043 62.654 63.100 -0.670 0.000 0.776 516 P CB 1.440 32.796 31.700 -0.573 0.000 0.888 517 V N 4.787 124.442 119.914 -0.433 0.000 2.789 517 V HA 0.448 4.568 4.120 0.001 0.000 0.311 517 V C 0.309 176.282 176.094 -0.202 0.000 1.073 517 V CA -0.700 61.422 62.300 -0.298 0.000 0.921 517 V CB 2.210 33.847 31.823 -0.310 0.000 1.009 517 V HN 0.403 nan 8.190 nan 0.000 0.426 518 I N 4.147 124.622 120.570 -0.157 0.000 2.474 518 I HA 0.485 4.656 4.170 0.001 0.000 0.294 518 I C -0.789 175.236 176.117 -0.153 0.000 1.005 518 I CA -0.469 60.766 61.300 -0.107 0.000 1.113 518 I CB 1.905 39.858 38.000 -0.078 0.000 1.289 518 I HN 0.333 nan 8.210 nan 0.000 0.436 519 L N 5.041 126.160 121.223 -0.173 0.000 2.295 519 L HA 0.419 4.759 4.340 0.001 0.000 0.285 519 L C -0.076 176.771 176.870 -0.040 0.000 1.035 519 L CA -0.613 54.060 54.840 -0.278 0.000 0.806 519 L CB 1.470 43.282 42.059 -0.411 0.000 1.214 519 L HN 0.538 nan 8.230 nan 0.000 0.426 520 T N 2.510 117.089 114.554 0.041 0.000 2.738 520 T HA 0.121 4.472 4.350 0.001 0.000 0.293 520 T C 1.070 175.787 174.700 0.028 0.000 0.913 520 T CA -0.398 61.742 62.100 0.067 0.000 1.103 520 T CB 0.867 69.687 68.868 -0.080 0.000 0.880 520 T HN 0.560 nan 8.240 nan 0.000 0.526 521 V N 0.918 120.786 119.914 -0.077 0.000 3.645 521 V HA 0.471 4.591 4.120 0.001 0.000 0.275 521 V C -0.157 175.833 176.094 -0.173 0.000 1.356 521 V CA -0.012 62.219 62.300 -0.114 0.000 1.051 521 V CB -0.579 31.094 31.823 -0.250 0.000 0.828 521 V HN 0.726 nan 8.190 nan 0.000 0.441 522 Y N 0.021 120.089 120.300 -0.388 0.000 2.401 522 Y HA 0.665 5.216 4.550 0.001 0.000 0.330 522 Y C -0.637 175.047 175.900 -0.360 0.000 1.071 522 Y CA 0.061 57.940 58.100 -0.368 0.000 1.049 522 Y CB 2.012 40.217 38.460 -0.425 0.000 1.239 522 Y HN 0.101 nan 8.280 nan 0.000 0.437 523 T N 3.774 117.987 114.554 -0.569 0.000 2.886 523 T HA 0.538 4.888 4.350 0.001 0.000 0.330 523 T C -0.679 173.736 174.700 -0.475 0.000 1.488 523 T CA 0.133 61.995 62.100 -0.396 0.000 1.054 523 T CB 0.980 69.690 68.868 -0.264 0.000 1.348 523 T HN 1.732 nan 8.240 nan 0.000 0.489 524 A N 1.460 124.030 122.820 -0.416 0.000 2.745 524 A HA 0.133 4.454 4.320 0.001 0.000 0.296 524 A C 1.759 178.986 177.584 -0.595 0.000 1.500 524 A CA 1.877 53.565 52.037 -0.582 0.000 0.766 524 A CB -2.233 16.579 19.000 -0.314 0.000 1.030 524 A HN 2.771 nan 8.150 nan 0.000 0.489 525 G N -0.751 107.665 108.800 -0.640 0.000 2.212 525 G HA2 -0.363 3.598 3.960 0.001 0.000 0.267 525 G HA3 -0.363 3.598 3.960 0.001 0.000 0.267 525 G C 0.492 174.910 174.900 -0.802 0.000 1.002 525 G CA 0.925 45.667 45.100 -0.597 0.000 0.729 525 G HN 2.103 nan 8.290 nan 0.000 0.517 526 N N -1.556 116.539 118.700 -1.007 0.000 2.696 526 N HA -0.179 4.561 4.740 0.001 0.000 0.249 526 N C 0.649 175.893 175.510 -0.443 0.000 1.090 526 N CA 0.741 53.356 53.050 -0.725 0.000 0.716 526 N CB -0.337 37.680 38.487 -0.782 0.000 1.020 526 N HN 0.444 nan 8.380 nan 0.000 0.548 527 M N 0.481 119.784 119.600 -0.495 0.000 2.252 527 M HA 0.020 4.501 4.480 0.001 0.000 0.348 527 M C -1.012 174.864 176.300 -0.706 0.000 1.334 527 M CA -1.462 53.415 55.300 -0.705 0.000 1.071 527 M CB -0.322 31.538 32.600 -1.233 0.000 1.763 527 M HN -0.009 nan 8.290 nan 0.000 0.452 528 P HA -0.130 nan 4.420 nan 0.000 0.230 528 P C 0.758 177.995 177.300 -0.104 0.000 1.158 528 P CA 1.448 64.220 63.100 -0.545 0.000 0.769 528 P CB -0.353 30.982 31.700 -0.608 0.000 0.807 529 Y N -4.350 115.808 120.300 -0.236 0.000 2.546 529 Y HA 0.147 4.698 4.550 0.001 0.000 0.287 529 Y C 1.536 177.330 175.900 -0.178 0.000 1.158 529 Y CA 0.063 58.021 58.100 -0.236 0.000 1.307 529 Y CB -1.076 37.165 38.460 -0.366 0.000 1.036 529 Y HN -0.182 nan 8.280 nan 0.000 0.532 530 Y N 0.036 120.230 120.300 -0.177 0.000 2.535 530 Y HA 0.316 4.866 4.550 0.001 0.000 0.264 530 Y C 0.557 176.425 175.900 -0.054 0.000 1.087 530 Y CA -0.330 57.728 58.100 -0.070 0.000 1.285 530 Y CB 0.683 39.062 38.460 -0.135 0.000 1.200 530 Y HN 0.025 nan 8.280 nan 0.000 0.514 531 T N -1.063 113.522 114.554 0.052 0.000 2.982 531 T HA 0.273 4.623 4.350 0.001 0.000 0.321 531 T C 0.742 175.496 174.700 0.091 0.000 1.229 531 T CA 0.051 62.161 62.100 0.018 0.000 1.044 531 T CB 1.011 69.821 68.868 -0.096 0.000 1.184 531 T HN 0.077 nan 8.240 nan 0.000 0.477 532 S N 2.638 118.393 115.700 0.092 0.000 2.469 532 S HA 0.001 4.472 4.470 0.001 0.000 0.238 532 S C 2.231 176.902 174.600 0.117 0.000 0.998 532 S CA 0.905 59.212 58.200 0.179 0.000 0.957 532 S CB -0.443 62.706 63.200 -0.084 0.000 0.764 532 S HN 0.900 nan 8.310 nan 0.000 0.514 533 A N 1.704 124.479 122.820 -0.075 0.000 2.121 533 A HA -0.109 4.211 4.320 0.001 0.000 0.218 533 A C 1.999 179.476 177.584 -0.177 0.000 1.154 533 A CA 1.197 53.142 52.037 -0.153 0.000 0.679 533 A CB -1.183 17.685 19.000 -0.219 0.000 0.795 533 A HN 0.763 nan 8.150 nan 0.000 0.458 534 H N -0.800 118.047 119.070 -0.371 0.000 2.394 534 H HA -0.176 4.381 4.556 0.001 0.000 0.297 534 H C 0.255 175.211 175.328 -0.619 0.000 1.113 534 H CA 1.541 57.176 56.048 -0.689 0.000 1.277 534 H CB -0.101 28.855 29.762 -1.342 0.000 1.370 534 H HN 0.686 nan 8.280 nan 0.000 0.506 535 W N 1.113 122.367 121.300 -0.076 0.000 2.676 535 W HA 0.295 4.955 4.660 0.001 0.000 0.430 535 W C -0.580 175.800 176.519 -0.232 0.000 0.690 535 W CA -0.240 57.036 57.345 -0.115 0.000 2.297 535 W CB -0.354 29.064 29.460 -0.071 0.000 1.361 535 W HN 0.050 nan 8.180 nan 0.000 0.800 536 L N 2.227 123.383 121.223 -0.111 0.000 2.401 536 L HA 0.178 4.518 4.340 0.001 0.000 0.263 536 L C 0.893 177.792 176.870 0.048 0.000 1.004 536 L CA -0.339 54.437 54.840 -0.108 0.000 0.881 536 L CB 0.990 43.014 42.059 -0.058 0.000 1.219 536 L HN -0.146 nan 8.230 nan 0.000 0.441 537 S N 0.086 115.842 115.700 0.094 0.000 2.585 537 S HA 0.149 4.620 4.470 0.001 0.000 0.273 537 S C 1.162 175.887 174.600 0.209 0.000 1.339 537 S CA -0.344 57.923 58.200 0.111 0.000 1.028 537 S CB 1.391 64.651 63.200 0.100 0.000 0.906 537 S HN 0.549 nan 8.310 nan 0.000 0.528 538 T N 2.017 116.631 114.554 0.100 0.000 2.759 538 T HA -0.151 4.200 4.350 0.001 0.000 0.269 538 T C 2.122 176.884 174.700 0.105 0.000 1.042 538 T CA 1.826 63.977 62.100 0.084 0.000 1.140 538 T CB -0.669 68.166 68.868 -0.056 0.000 0.864 538 T HN 0.812 nan 8.240 nan 0.000 0.455 539 S N -0.154 115.606 115.700 0.100 0.000 2.368 539 S HA -0.154 4.317 4.470 0.001 0.000 0.225 539 S C 1.792 176.482 174.600 0.151 0.000 1.030 539 S CA 1.328 59.587 58.200 0.098 0.000 0.999 539 S CB -0.624 62.625 63.200 0.081 0.000 0.844 539 S HN 0.722 nan 8.310 nan 0.000 0.459 540 W N 1.774 123.099 121.300 0.041 0.000 2.358 540 W HA -0.010 4.650 4.660 0.001 0.000 0.303 540 W C 1.750 178.304 176.519 0.058 0.000 1.208 540 W CA 1.562 58.941 57.345 0.058 0.000 1.274 540 W CB -0.358 29.145 29.460 0.072 0.000 1.138 540 W HN 0.320 nan 8.180 nan 0.000 0.515 541 I N 0.275 120.930 120.570 0.142 0.000 2.252 541 I HA -0.276 3.894 4.170 0.001 0.000 0.245 541 I C 2.209 178.252 176.117 -0.123 0.000 1.102 541 I CA 1.860 63.100 61.300 -0.100 0.000 1.385 541 I CB -0.722 37.348 38.000 0.116 0.000 1.064 541 I HN -0.062 nan 8.210 nan 0.000 0.414 542 D N 1.278 121.691 120.400 0.022 0.000 2.117 542 D HA -0.238 4.403 4.640 0.001 0.000 0.197 542 D C 2.146 178.435 176.300 -0.018 0.000 0.987 542 D CA 1.348 55.389 54.000 0.067 0.000 0.829 542 D CB -0.041 40.782 40.800 0.038 0.000 0.961 542 D HN 0.130 nan 8.370 nan 0.000 0.460 543 K N -0.642 119.695 120.400 -0.104 0.000 2.103 543 K HA -0.138 4.183 4.320 0.001 0.000 0.207 543 K C 2.001 178.463 176.600 -0.230 0.000 1.048 543 K CA 0.963 57.160 56.287 -0.150 0.000 0.930 543 K CB 0.005 32.419 32.500 -0.143 0.000 0.716 543 K HN 0.105 nan 8.250 nan 0.000 0.444 544 M N -0.362 119.001 119.600 -0.395 0.000 2.156 544 M HA -0.126 4.355 4.480 0.001 0.000 0.264 544 M C 1.969 178.217 176.300 -0.087 0.000 1.067 544 M CA 1.511 56.618 55.300 -0.321 0.000 1.131 544 M CB -1.094 31.075 32.600 -0.718 0.000 1.368 544 M HN 0.189 nan 8.290 nan 0.000 0.416 545 Y N 0.999 121.219 120.300 -0.133 0.000 2.165 545 Y HA -0.282 4.268 4.550 0.001 0.000 0.286 545 Y C 2.658 178.512 175.900 -0.077 0.000 1.155 545 Y CA 1.191 59.250 58.100 -0.069 0.000 1.164 545 Y CB -0.135 38.280 38.460 -0.075 0.000 0.978 545 Y HN 0.387 nan 8.280 nan 0.000 0.513 546 Q N -0.176 119.655 119.800 0.052 0.000 2.172 546 Q HA -0.194 4.147 4.340 0.001 0.000 0.200 546 Q C 2.101 178.031 176.000 -0.117 0.000 0.964 546 Q CA 1.214 56.995 55.803 -0.037 0.000 0.855 546 Q CB -0.063 28.643 28.738 -0.053 0.000 0.918 546 Q HN 0.363 nan 8.270 nan 0.000 0.444 547 K N -0.215 120.053 120.400 -0.220 0.000 2.167 547 K HA -0.054 4.267 4.320 0.001 0.000 0.203 547 K C -0.389 175.859 176.600 -0.586 0.000 1.052 547 K CA 0.658 56.660 56.287 -0.475 0.000 0.956 547 K CB 0.423 32.482 32.500 -0.734 0.000 0.735 547 K HN 0.045 nan 8.250 nan 0.000 0.451 548 Y N 0.163 120.429 120.300 -0.056 0.000 2.555 548 Y HA 0.275 4.826 4.550 0.001 0.000 0.326 548 Y C -2.136 173.764 175.900 -0.001 0.000 0.984 548 Y CA -2.731 55.337 58.100 -0.052 0.000 1.298 548 Y CB 1.674 40.073 38.460 -0.102 0.000 1.094 548 Y HN 0.071 nan 8.280 nan 0.000 0.500 549 P HA -0.131 nan 4.420 nan 0.000 0.225 549 P C 1.008 178.429 177.300 0.201 0.000 1.148 549 P CA 1.244 64.425 63.100 0.136 0.000 0.779 549 P CB 0.346 32.094 31.700 0.080 0.000 0.780 550 N N -0.229 118.540 118.700 0.115 0.000 2.515 550 N HA -0.070 4.671 4.740 0.001 0.000 0.185 550 N C 0.450 175.836 175.510 -0.207 0.000 1.109 550 N CA 0.223 53.223 53.050 -0.084 0.000 0.903 550 N CB -0.679 37.715 38.487 -0.155 0.000 0.969 550 N HN 0.142 nan 8.380 nan 0.000 0.450 551 L N 2.449 123.680 121.223 0.013 0.000 2.433 551 L HA 0.105 4.446 4.340 0.001 0.000 0.284 551 L C 0.386 177.431 176.870 0.293 0.000 1.120 551 L CA 0.115 54.956 54.840 0.002 0.000 0.879 551 L CB 0.058 42.078 42.059 -0.065 0.000 1.232 551 L HN 0.018 nan 8.230 nan 0.000 0.454 552 H N 3.456 122.594 119.070 0.113 0.000 2.592 552 H HA 0.552 5.108 4.556 0.001 0.000 0.265 552 H C 0.822 176.352 175.328 0.337 0.000 0.955 552 H CA 0.086 56.264 56.048 0.217 0.000 1.175 552 H CB 0.576 30.435 29.762 0.162 0.000 1.433 552 H HN 0.661 nan 8.280 nan 0.000 0.537 553 G N -0.145 108.882 108.800 0.379 0.000 2.441 553 G HA2 0.458 4.419 3.960 0.001 0.000 0.294 553 G HA3 0.458 4.419 3.960 0.001 0.000 0.294 553 G C -1.486 173.519 174.900 0.175 0.000 1.393 553 G CA -0.467 44.862 45.100 0.381 0.000 0.796 553 G HN 0.177 nan 8.290 nan 0.000 0.494 554 I N -2.930 117.791 120.570 0.252 0.000 2.894 554 I HA 0.895 5.066 4.170 0.001 0.000 0.302 554 I C -1.941 174.373 176.117 0.330 0.000 1.188 554 I CA -1.244 60.157 61.300 0.169 0.000 1.014 554 I CB 2.705 40.741 38.000 0.060 0.000 1.242 554 I HN 0.463 nan 8.210 nan 0.000 0.430 555 F N 3.259 123.220 119.950 0.017 0.000 2.529 555 F HA 0.700 5.228 4.527 0.001 0.000 0.320 555 F C -0.581 175.195 175.800 -0.040 0.000 1.118 555 F CA -0.705 57.295 58.000 -0.001 0.000 0.915 555 F CB 2.090 41.086 39.000 -0.006 0.000 1.161 555 F HN 0.632 nan 8.300 nan 0.000 0.445 556 S N 3.970 119.482 115.700 -0.313 0.000 2.454 556 S HA 0.717 5.188 4.470 0.001 0.000 0.306 556 S C -0.894 173.305 174.600 -0.668 0.000 1.100 556 S CA -0.217 57.699 58.200 -0.474 0.000 1.087 556 S CB 1.094 63.979 63.200 -0.526 0.000 1.019 556 S HN 0.899 nan 8.310 nan 0.000 0.480 557 T N 3.196 117.441 114.554 -0.515 0.000 3.071 557 T HA 0.421 4.772 4.350 0.001 0.000 0.311 557 T C -1.252 173.429 174.700 -0.030 0.000 1.042 557 T CA -0.238 61.657 62.100 -0.341 0.000 1.028 557 T CB 0.747 69.236 68.868 -0.630 0.000 1.068 557 T HN 0.910 nan 8.240 nan 0.000 0.451 558 E N 3.412 123.708 120.200 0.160 0.000 2.807 558 E HA -0.142 4.208 4.350 0.001 0.000 0.169 558 E C -0.420 176.099 176.600 -0.136 0.000 1.548 558 E CA 0.291 56.744 56.400 0.088 0.000 0.697 558 E CB -0.803 28.973 29.700 0.126 0.000 1.106 558 E HN 0.725 nan 8.360 nan 0.000 0.382 559 N N 1.170 119.856 118.700 -0.023 0.000 2.159 559 N HA 0.006 4.746 4.740 0.001 0.000 0.217 559 N C 1.034 176.581 175.510 0.062 0.000 1.223 559 N CA 0.584 53.564 53.050 -0.117 0.000 0.896 559 N CB 0.140 38.706 38.487 0.131 0.000 1.064 559 N HN 0.498 nan 8.380 nan 0.000 0.518 560 Y N 0.540 121.057 120.300 0.360 0.000 2.315 560 Y HA -0.080 4.471 4.550 0.001 0.000 0.288 560 Y C 2.043 178.118 175.900 0.292 0.000 1.154 560 Y CA 0.585 58.900 58.100 0.359 0.000 1.229 560 Y CB -1.098 37.522 38.460 0.268 0.000 0.980 560 Y HN 0.163 nan 8.280 nan 0.000 0.540 561 W N 0.068 121.410 121.300 0.070 0.000 3.290 561 W HA 0.427 5.087 4.660 0.001 0.000 0.287 561 W C -0.292 176.316 176.519 0.149 0.000 1.288 561 W CA -0.341 57.092 57.345 0.146 0.000 1.725 561 W CB -0.127 29.362 29.460 0.047 0.000 1.103 561 W HN 0.186 nan 8.180 nan 0.000 0.670 562 I N 0.561 120.953 120.570 -0.297 0.000 2.878 562 I HA 0.245 4.416 4.170 0.001 0.000 0.286 562 I C -1.238 174.831 176.117 -0.080 0.000 1.593 562 I CA -1.728 59.405 61.300 -0.279 0.000 0.806 562 I CB -0.160 37.368 38.000 -0.786 0.000 1.811 562 I HN 0.136 nan 8.210 nan 0.000 0.593 563 W N 7.031 128.293 121.300 -0.063 0.000 2.081 563 W HA 0.578 5.239 4.660 0.001 0.000 0.433 563 W C 0.337 176.871 176.519 0.024 0.000 0.876 563 W CA -0.452 56.902 57.345 0.014 0.000 1.631 563 W CB 0.625 30.131 29.460 0.076 0.000 1.757 563 W HN 0.609 nan 8.180 nan 0.000 0.298 564 A N 4.036 126.717 122.820 -0.231 0.000 2.561 564 A HA -0.137 4.184 4.320 0.001 0.000 0.234 564 A C 1.371 178.857 177.584 -0.164 0.000 1.055 564 A CA 0.307 52.245 52.037 -0.165 0.000 0.756 564 A CB 0.372 19.279 19.000 -0.155 0.000 0.986 564 A HN 0.714 nan 8.150 nan 0.000 0.505 565 N N 1.118 119.783 118.700 -0.059 0.000 2.184 565 N HA -0.163 4.577 4.740 0.001 0.000 0.190 565 N C 0.621 176.094 175.510 -0.061 0.000 1.011 565 N CA 1.846 54.881 53.050 -0.024 0.000 0.867 565 N CB -0.071 38.413 38.487 -0.004 0.000 0.993 565 N HN 0.835 nan 8.380 nan 0.000 0.433 566 D N -0.681 119.653 120.400 -0.110 0.000 2.501 566 D HA 0.064 4.704 4.640 0.001 0.000 0.226 566 D C 1.466 177.624 176.300 -0.236 0.000 1.198 566 D CA -0.314 53.604 54.000 -0.136 0.000 0.830 566 D CB -0.588 40.138 40.800 -0.124 0.000 1.014 566 D HN 0.240 nan 8.370 nan 0.000 0.496 567 I N 0.596 120.967 120.570 -0.331 0.000 2.163 567 I HA -0.330 3.841 4.170 0.001 0.000 0.243 567 I C 1.539 177.345 176.117 -0.519 0.000 1.085 567 I CA 1.643 62.615 61.300 -0.546 0.000 1.347 567 I CB 0.376 37.840 38.000 -0.894 0.000 1.044 567 I HN -0.167 nan 8.210 nan 0.000 0.408 568 E N 0.901 120.939 120.200 -0.270 0.000 2.072 568 E HA -0.190 4.160 4.350 0.001 0.000 0.191 568 E C 1.930 178.481 176.600 -0.082 0.000 0.985 568 E CA 1.299 57.652 56.400 -0.078 0.000 0.801 568 E CB -0.328 29.446 29.700 0.123 0.000 0.750 568 E HN 0.480 nan 8.360 nan 0.000 0.452 569 N N 0.608 119.241 118.700 -0.113 0.000 2.104 569 N HA -0.147 4.594 4.740 0.001 0.000 0.190 569 N C 1.436 176.783 175.510 -0.271 0.000 1.024 569 N CA 0.957 53.928 53.050 -0.131 0.000 0.853 569 N CB -0.060 38.354 38.487 -0.122 0.000 1.008 569 N HN 0.046 nan 8.380 nan 0.000 0.424 570 K N 0.949 121.097 120.400 -0.421 0.000 2.103 570 K HA 0.114 4.434 4.320 0.001 0.000 0.204 570 K C 1.950 178.010 176.600 -0.901 0.000 1.052 570 K CA 0.709 56.579 56.287 -0.696 0.000 0.945 570 K CB -0.408 31.664 32.500 -0.715 0.000 0.722 570 K HN 0.139 nan 8.250 nan 0.000 0.443 571 A N 1.567 123.972 122.820 -0.693 0.000 1.902 571 A HA -0.090 4.230 4.320 0.001 0.000 0.217 571 A C 2.419 179.888 177.584 -0.191 0.000 1.181 571 A CA 1.996 53.667 52.037 -0.611 0.000 0.623 571 A CB -0.592 17.895 19.000 -0.855 0.000 0.818 571 A HN 0.281 nan 8.150 nan 0.000 0.443 572 A N 0.254 123.100 122.820 0.042 0.000 1.883 572 A HA -0.237 4.083 4.320 0.001 0.000 0.217 572 A C 1.763 179.308 177.584 -0.065 0.000 1.186 572 A CA 2.076 54.206 52.037 0.155 0.000 0.624 572 A CB -0.667 18.406 19.000 0.121 0.000 0.822 572 A HN 0.466 nan 8.150 nan 0.000 0.444 573 D N -1.460 118.775 120.400 -0.274 0.000 2.144 573 D HA -0.109 4.532 4.640 0.001 0.000 0.200 573 D C 1.678 177.765 176.300 -0.356 0.000 0.978 573 D CA 1.178 54.984 54.000 -0.323 0.000 0.833 573 D CB -0.421 40.133 40.800 -0.411 0.000 0.961 573 D HN 0.577 nan 8.370 nan 0.000 0.470 574 Y N 0.538 120.570 120.300 -0.446 0.000 2.181 574 Y HA -0.090 4.461 4.550 0.001 0.000 0.288 574 Y C 2.229 177.839 175.900 -0.482 0.000 1.146 574 Y CA 0.282 58.011 58.100 -0.618 0.000 1.164 574 Y CB -0.864 36.813 38.460 -1.304 0.000 0.982 574 Y HN -0.028 nan 8.280 nan 0.000 0.515 575 L N 0.606 121.679 121.223 -0.250 0.000 2.056 575 L HA -0.148 4.193 4.340 0.001 0.000 0.207 575 L C 2.354 179.155 176.870 -0.116 0.000 1.078 575 L CA 1.870 56.759 54.840 0.083 0.000 0.749 575 L CB -0.759 41.534 42.059 0.390 0.000 0.901 575 L HN 0.121 nan 8.230 nan 0.000 0.433 576 K N -1.222 119.049 120.400 -0.214 0.000 2.032 576 K HA -0.186 4.135 4.320 0.001 0.000 0.209 576 K C 2.103 178.468 176.600 -0.392 0.000 1.048 576 K CA 1.860 57.842 56.287 -0.509 0.000 0.927 576 K CB -0.384 31.963 32.500 -0.255 0.000 0.712 576 K HN 0.270 nan 8.250 nan 0.000 0.441 577 V N 0.527 120.322 119.914 -0.199 0.000 2.515 577 V HA -0.207 3.914 4.120 0.001 0.000 0.250 577 V C 1.833 177.827 176.094 -0.166 0.000 1.058 577 V CA 2.156 64.387 62.300 -0.115 0.000 1.064 577 V CB -0.136 31.702 31.823 0.024 0.000 0.675 577 V HN 0.401 nan 8.190 nan 0.000 0.461 578 S N 0.387 116.021 115.700 -0.110 0.000 2.345 578 S HA -0.112 4.358 4.470 0.001 0.000 0.220 578 S C 2.178 176.540 174.600 -0.398 0.000 1.031 578 S CA 1.430 59.495 58.200 -0.225 0.000 0.996 578 S CB -0.603 62.653 63.200 0.094 0.000 0.882 578 S HN 0.793 nan 8.310 nan 0.000 0.445 579 A N 1.917 124.520 122.820 -0.362 0.000 1.940 579 A HA -0.193 4.128 4.320 0.001 0.000 0.219 579 A C 1.987 179.343 177.584 -0.380 0.000 1.176 579 A CA 2.069 53.864 52.037 -0.402 0.000 0.631 579 A CB -0.608 18.077 19.000 -0.525 0.000 0.814 579 A HN 0.559 nan 8.150 nan 0.000 0.446 580 K N -0.407 119.761 120.400 -0.388 0.000 2.209 580 K HA -0.123 4.197 4.320 0.001 0.000 0.204 580 K C 0.825 177.249 176.600 -0.292 0.000 1.048 580 K CA 1.874 57.989 56.287 -0.285 0.000 0.940 580 K CB -0.232 32.128 32.500 -0.233 0.000 0.729 580 K HN 0.535 nan 8.250 nan 0.000 0.451 581 N N -1.014 117.430 118.700 -0.427 0.000 2.184 581 N HA 0.161 4.901 4.740 0.001 0.000 0.206 581 N C 0.076 175.319 175.510 -0.445 0.000 1.151 581 N CA 0.413 53.181 53.050 -0.470 0.000 0.878 581 N CB 1.504 39.539 38.487 -0.753 0.000 1.014 581 N HN 0.361 nan 8.380 nan 0.000 0.512 582 G N -0.089 108.463 108.800 -0.413 0.000 2.155 582 G HA2 -0.240 3.720 3.960 0.001 0.000 0.257 582 G HA3 -0.240 3.720 3.960 0.001 0.000 0.257 582 G C 0.459 175.106 174.900 -0.422 0.000 0.983 582 G CA 0.168 45.042 45.100 -0.376 0.000 0.676 582 G HN 0.516 nan 8.290 nan 0.000 0.528 583 G N -1.412 107.098 108.800 -0.484 0.000 2.535 583 G HA2 0.610 4.571 3.960 0.001 0.000 0.303 583 G HA3 0.610 4.571 3.960 0.001 0.000 0.303 583 G C -0.643 174.113 174.900 -0.240 0.000 1.237 583 G CA -0.988 43.978 45.100 -0.224 0.000 0.986 583 G HN 0.264 nan 8.290 nan 0.000 0.494 584 Y N -1.076 119.325 120.300 0.168 0.000 2.387 584 Y HA 0.455 5.005 4.550 0.001 0.000 0.336 584 Y C -0.408 175.694 175.900 0.337 0.000 1.067 584 Y CA -0.655 57.568 58.100 0.205 0.000 1.114 584 Y CB 2.107 40.678 38.460 0.184 0.000 1.208 584 Y HN 0.401 nan 8.280 nan 0.000 0.458 585 F N 5.290 125.431 119.950 0.318 0.000 2.405 585 F HA 0.544 5.072 4.527 0.001 0.000 0.355 585 F C -1.114 174.880 175.800 0.323 0.000 1.121 585 F CA -1.716 56.452 58.000 0.280 0.000 1.112 585 F CB 0.297 39.448 39.000 0.253 0.000 1.126 585 F HN 0.207 nan 8.300 nan 0.000 0.481 586 I N 6.623 127.147 120.570 -0.075 0.000 2.362 586 I HA 0.159 4.330 4.170 0.001 0.000 0.289 586 I C -1.227 174.783 176.117 -0.179 0.000 0.994 586 I CA -0.588 60.690 61.300 -0.037 0.000 1.158 586 I CB 1.199 39.308 38.000 0.183 0.000 1.315 586 I HN 0.668 nan 8.210 nan 0.000 0.451 587 W N 7.085 128.053 121.300 -0.553 0.000 2.475 587 W HA 0.703 5.364 4.660 0.001 0.000 0.320 587 W C -1.026 175.441 176.519 -0.087 0.000 1.022 587 W CA -1.671 55.339 57.345 -0.559 0.000 1.240 587 W CB 1.805 30.618 29.460 -1.078 0.000 1.328 587 W HN 0.548 nan 8.180 nan 0.000 0.439 588 A N 4.692 127.780 122.820 0.447 0.000 2.249 588 A HA 0.655 4.975 4.320 0.001 0.000 0.314 588 A C -1.000 176.861 177.584 0.462 0.000 1.290 588 A CA -0.242 52.059 52.037 0.440 0.000 0.893 588 A CB 0.954 20.239 19.000 0.474 0.000 1.165 588 A HN 0.509 nan 8.150 nan 0.000 0.530 589 E N 1.028 121.489 120.200 0.436 0.000 2.390 589 E HA 0.550 4.900 4.350 0.001 0.000 0.277 589 E C -1.233 175.593 176.600 0.377 0.000 0.939 589 E CA -0.379 56.290 56.400 0.448 0.000 0.769 589 E CB 1.696 31.550 29.700 0.257 0.000 1.251 589 E HN 0.571 nan 8.360 nan 0.000 0.450 590 Q N 1.313 121.338 119.800 0.376 0.000 2.345 590 Q HA 0.465 4.806 4.340 0.001 0.000 0.268 590 Q C -0.647 175.370 176.000 0.028 0.000 1.054 590 Q CA -0.527 55.347 55.803 0.118 0.000 0.835 590 Q CB 1.426 30.099 28.738 -0.110 0.000 1.339 590 Q HN 0.442 nan 8.270 nan 0.000 0.447 591 N N 1.909 120.601 118.700 -0.012 0.000 2.530 591 N HA 0.023 4.764 4.740 0.001 0.000 0.216 591 N C -0.955 174.514 175.510 -0.069 0.000 1.315 591 N CA 0.102 53.145 53.050 -0.011 0.000 0.858 591 N CB -0.292 38.228 38.487 0.056 0.000 1.138 591 N HN 0.420 nan 8.380 nan 0.000 0.473 592 N N -0.075 118.546 118.700 -0.132 0.000 2.492 592 N HA 0.224 4.965 4.740 0.001 0.000 0.260 592 N C 0.916 176.421 175.510 -0.008 0.000 1.215 592 N CA 0.989 53.984 53.050 -0.092 0.000 0.923 592 N CB 0.531 38.928 38.487 -0.150 0.000 1.092 592 N HN 0.271 nan 8.380 nan 0.000 0.448 593 G N 1.325 110.123 108.800 -0.004 0.000 2.341 593 G HA2 -0.334 3.626 3.960 0.001 0.000 0.292 593 G HA3 -0.334 3.626 3.960 0.001 0.000 0.292 593 G C 0.255 175.084 174.900 -0.118 0.000 1.021 593 G CA 0.788 45.874 45.100 -0.023 0.000 0.905 593 G HN 0.797 nan 8.290 nan 0.000 0.508 594 S N -3.081 112.559 115.700 -0.100 0.000 3.476 594 S HA -0.267 4.204 4.470 0.001 0.000 0.309 594 S C 2.250 176.696 174.600 -0.257 0.000 1.222 594 S CA 1.507 59.633 58.200 -0.123 0.000 0.922 594 S CB -1.678 61.457 63.200 -0.108 0.000 1.023 594 S HN 2.275 nan 8.310 nan 0.000 0.591 595 A N 1.227 123.848 122.820 -0.332 0.000 1.917 595 A HA -0.131 4.189 4.320 0.001 0.000 0.219 595 A C 1.952 179.289 177.584 -0.410 0.000 1.182 595 A CA 1.858 53.495 52.037 -0.666 0.000 0.633 595 A CB -0.405 18.365 19.000 -0.383 0.000 0.819 595 A HN 0.585 nan 8.150 nan 0.000 0.448 596 I N -0.027 120.439 120.570 -0.173 0.000 2.353 596 I HA -0.179 3.991 4.170 0.001 0.000 0.248 596 I C 2.236 178.292 176.117 -0.101 0.000 1.119 596 I CA 1.403 62.617 61.300 -0.143 0.000 1.417 596 I CB -1.811 36.094 38.000 -0.159 0.000 1.078 596 I HN 0.472 nan 8.210 nan 0.000 0.421 597 E N 1.291 121.390 120.200 -0.168 0.000 2.051 597 E HA -0.216 4.134 4.350 0.001 0.000 0.192 597 E C 2.167 178.768 176.600 0.001 0.000 0.991 597 E CA 1.240 57.560 56.400 -0.132 0.000 0.799 597 E CB -0.145 29.479 29.700 -0.128 0.000 0.748 597 E HN 0.453 nan 8.360 nan 0.000 0.449 598 K N 0.608 120.974 120.400 -0.056 0.000 2.032 598 K HA -0.136 4.185 4.320 0.001 0.000 0.209 598 K C 2.293 179.062 176.600 0.282 0.000 1.048 598 K CA 1.086 57.403 56.287 0.050 0.000 0.927 598 K CB -0.243 32.146 32.500 -0.185 0.000 0.712 598 K HN 0.082 nan 8.250 nan 0.000 0.441 599 A N 0.677 123.691 122.820 0.324 0.000 1.986 599 A HA -0.166 4.154 4.320 0.001 0.000 0.220 599 A C 1.632 179.326 177.584 0.184 0.000 1.171 599 A CA 1.470 53.733 52.037 0.377 0.000 0.640 599 A CB -0.586 18.468 19.000 0.090 0.000 0.811 599 A HN 0.263 nan 8.150 nan 0.000 0.451 600 F N -1.349 118.775 119.950 0.289 0.000 2.693 600 F HA 0.391 4.918 4.527 0.001 0.000 0.303 600 F C 1.689 177.584 175.800 0.160 0.000 1.097 600 F CA 0.717 58.860 58.000 0.238 0.000 1.330 600 F CB 0.509 39.545 39.000 0.059 0.000 1.067 600 F HN 0.360 nan 8.300 nan 0.000 0.565 601 G N 0.119 109.080 108.800 0.267 0.000 2.175 601 G HA2 -0.273 3.687 3.960 0.001 0.000 0.182 601 G HA3 -0.273 3.687 3.960 0.001 0.000 0.182 601 G C 1.249 176.231 174.900 0.136 0.000 1.003 601 G CA 0.254 45.471 45.100 0.196 0.000 0.666 601 G HN 0.316 nan 8.290 nan 0.000 0.506 602 K N 0.345 120.811 120.400 0.110 0.000 2.059 602 K HA -0.154 4.167 4.320 0.001 0.000 0.212 602 K C 1.518 178.152 176.600 0.057 0.000 1.050 602 K CA 1.878 58.196 56.287 0.052 0.000 0.927 602 K CB -0.152 32.353 32.500 0.010 0.000 0.714 602 K HN 0.314 nan 8.250 nan 0.000 0.447 603 N N -0.654 118.094 118.700 0.080 0.000 2.276 603 N HA 0.101 4.842 4.740 0.001 0.000 0.212 603 N C 0.363 175.927 175.510 0.090 0.000 1.127 603 N CA 0.864 53.961 53.050 0.079 0.000 0.834 603 N CB 1.158 39.696 38.487 0.085 0.000 1.014 603 N HN 0.532 nan 8.380 nan 0.000 0.491 604 G N 0.375 109.232 108.800 0.094 0.000 2.176 604 G HA2 -0.269 3.692 3.960 0.001 0.000 0.232 604 G HA3 -0.269 3.692 3.960 0.001 0.000 0.232 604 G C 0.124 175.085 174.900 0.102 0.000 0.986 604 G CA -0.310 44.842 45.100 0.088 0.000 0.643 604 G HN 0.249 nan 8.290 nan 0.000 0.522 605 K N 1.254 121.733 120.400 0.131 0.000 2.206 605 K HA 0.571 4.892 4.320 0.001 0.000 0.268 605 K C 1.540 178.235 176.600 0.158 0.000 1.111 605 K CA -0.167 56.202 56.287 0.137 0.000 0.955 605 K CB 0.130 32.730 32.500 0.167 0.000 1.406 605 K HN 0.534 nan 8.250 nan 0.000 0.427 606 I N -0.837 119.813 120.570 0.133 0.000 3.928 606 I HA 0.227 4.397 4.170 0.001 0.000 0.335 606 I C 1.374 177.580 176.117 0.148 0.000 1.325 606 I CA -0.021 61.367 61.300 0.147 0.000 1.107 606 I CB 0.545 38.616 38.000 0.118 0.000 1.014 606 I HN 0.333 nan 8.210 nan 0.000 0.400 607 A N 1.952 124.854 122.820 0.137 0.000 1.917 607 A HA -0.243 4.078 4.320 0.001 0.000 0.219 607 A C 2.104 179.799 177.584 0.185 0.000 1.182 607 A CA 1.885 53.998 52.037 0.126 0.000 0.633 607 A CB -0.957 18.093 19.000 0.085 0.000 0.819 607 A HN 0.598 nan 8.150 nan 0.000 0.448 608 F N 0.322 120.316 119.950 0.074 0.000 2.163 608 F HA -0.111 4.417 4.527 0.001 0.000 0.297 608 F C 2.453 178.335 175.800 0.136 0.000 1.094 608 F CA 1.857 59.915 58.000 0.097 0.000 1.290 608 F CB -0.481 38.578 39.000 0.098 0.000 1.017 608 F HN 0.410 nan 8.300 nan 0.000 0.483 609 Q N 0.616 120.501 119.800 0.141 0.000 2.062 609 Q HA -0.308 4.033 4.340 0.001 0.000 0.209 609 Q C 2.145 178.214 176.000 0.115 0.000 0.996 609 Q CA 2.436 58.355 55.803 0.193 0.000 0.859 609 Q CB -0.164 28.732 28.738 0.264 0.000 0.920 609 Q HN 0.404 nan 8.270 nan 0.000 0.415 610 K N -0.243 120.210 120.400 0.088 0.000 2.097 610 K HA -0.109 4.211 4.320 0.001 0.000 0.206 610 K C 2.312 178.918 176.600 0.010 0.000 1.049 610 K CA 1.326 57.643 56.287 0.051 0.000 0.933 610 K CB -0.239 32.291 32.500 0.051 0.000 0.717 610 K HN 0.071 nan 8.250 nan 0.000 0.442 611 S N 0.329 116.041 115.700 0.019 0.000 2.368 611 S HA -0.111 4.359 4.470 0.001 0.000 0.225 611 S C 1.958 176.577 174.600 0.032 0.000 1.030 611 S CA 1.043 59.281 58.200 0.063 0.000 0.999 611 S CB -0.158 63.131 63.200 0.148 0.000 0.844 611 S HN 0.081 nan 8.310 nan 0.000 0.459 612 V N 2.421 122.294 119.914 -0.068 0.000 2.343 612 V HA -0.161 3.960 4.120 0.001 0.000 0.247 612 V C 2.193 178.411 176.094 0.206 0.000 1.051 612 V CA 2.082 64.442 62.300 0.100 0.000 1.036 612 V CB -0.809 31.096 31.823 0.137 0.000 0.654 612 V HN 0.467 nan 8.190 nan 0.000 0.451 613 D N 0.050 120.518 120.400 0.112 0.000 2.172 613 D HA -0.192 4.448 4.640 0.001 0.000 0.196 613 D C 2.223 178.566 176.300 0.072 0.000 0.999 613 D CA 1.487 55.531 54.000 0.073 0.000 0.856 613 D CB -0.111 40.705 40.800 0.026 0.000 0.934 613 D HN 0.481 nan 8.370 nan 0.000 0.453 614 K N -0.838 119.500 120.400 -0.104 0.000 2.099 614 K HA -0.013 4.308 4.320 0.001 0.000 0.203 614 K C 0.934 177.371 176.600 -0.272 0.000 1.047 614 K CA 0.549 56.617 56.287 -0.366 0.000 0.963 614 K CB 0.200 32.094 32.500 -1.010 0.000 0.759 614 K HN 0.185 nan 8.250 nan 0.000 0.451 615 Y N 0.277 120.651 120.300 0.123 0.000 2.696 615 Y HA 0.057 4.608 4.550 0.001 0.000 0.260 615 Y C 1.272 177.226 175.900 0.091 0.000 1.165 615 Y CA -1.425 56.699 58.100 0.040 0.000 1.189 615 Y CB -0.468 38.015 38.460 0.038 0.000 1.180 615 Y HN 0.259 nan 8.280 nan 0.000 0.538 616 W N 0.741 122.163 121.300 0.202 0.000 2.364 616 W HA -0.145 4.515 4.660 0.001 0.000 0.281 616 W C 0.750 177.455 176.519 0.310 0.000 1.219 616 W CA 0.932 58.434 57.345 0.262 0.000 1.220 616 W CB -0.590 29.000 29.460 0.216 0.000 1.127 616 W HN 0.101 nan 8.180 nan 0.000 0.556 617 K N 0.786 120.854 120.400 -0.553 0.000 2.442 617 K HA -0.088 4.232 4.320 0.001 0.000 0.198 617 K C 1.137 177.524 176.600 -0.355 0.000 1.044 617 K CA 1.037 56.952 56.287 -0.619 0.000 0.948 617 K CB -0.256 31.714 32.500 -0.884 0.000 0.762 617 K HN 0.310 nan 8.250 nan 0.000 0.472 618 N N 0.614 119.255 118.700 -0.099 0.000 2.187 618 N HA 0.019 4.759 4.740 0.001 0.000 0.212 618 N C -0.633 175.055 175.510 0.297 0.000 1.152 618 N CA -0.087 52.897 53.050 -0.110 0.000 0.872 618 N CB 0.588 38.952 38.487 -0.204 0.000 1.025 618 N HN 0.011 nan 8.380 nan 0.000 0.514 619 L N 2.091 123.591 121.223 0.462 0.000 2.289 619 L HA 0.452 4.792 4.340 0.001 0.000 0.285 619 L C -0.797 176.419 176.870 0.577 0.000 1.049 619 L CA -0.339 54.831 54.840 0.551 0.000 0.804 619 L CB 0.807 43.238 42.059 0.620 0.000 1.195 619 L HN -0.100 nan 8.230 nan 0.000 0.428 620 I N 5.801 126.622 120.570 0.418 0.000 2.389 620 I HA 0.298 4.468 4.170 0.001 0.000 0.288 620 I C -0.729 175.563 176.117 0.293 0.000 0.999 620 I CA -0.266 61.245 61.300 0.351 0.000 1.129 620 I CB 1.188 39.312 38.000 0.206 0.000 1.288 620 I HN 0.531 nan 8.210 nan 0.000 0.444 621 F N 6.452 126.603 119.950 0.335 0.000 2.469 621 F HA 0.616 5.144 4.527 0.001 0.000 0.332 621 F C -0.133 175.825 175.800 0.264 0.000 1.103 621 F CA -0.600 57.582 58.000 0.304 0.000 0.979 621 F CB 1.749 40.964 39.000 0.357 0.000 1.137 621 F HN 0.288 nan 8.300 nan 0.000 0.463 622 M N 5.570 125.524 119.600 0.591 0.000 2.518 622 M HA 0.345 4.825 4.480 0.001 0.000 0.300 622 M C -0.904 175.608 176.300 0.353 0.000 1.175 622 M CA -1.039 54.449 55.300 0.313 0.000 0.890 622 M CB 2.216 34.906 32.600 0.151 0.000 1.710 622 M HN 0.457 nan 8.290 nan 0.000 0.453 623 F N 0.263 120.398 119.950 0.308 0.000 2.435 623 F HA 0.597 5.125 4.527 0.001 0.000 0.316 623 F C -0.305 175.638 175.800 0.239 0.000 1.220 623 F CA -0.687 57.450 58.000 0.228 0.000 1.241 623 F CB 0.352 39.450 39.000 0.163 0.000 1.234 623 F HN 0.482 nan 8.300 nan 0.000 0.569 624 K N 1.677 122.435 120.400 0.598 0.000 2.690 624 K HA 0.210 4.530 4.320 0.001 0.000 0.243 624 K C -0.449 176.421 176.600 0.449 0.000 0.982 624 K CA -0.593 55.993 56.287 0.499 0.000 0.955 624 K CB 0.389 33.165 32.500 0.460 0.000 1.185 624 K HN 0.817 nan 8.250 nan 0.000 0.467 625 N N 2.286 121.263 118.700 0.462 0.000 2.383 625 N HA -0.062 4.679 4.740 0.001 0.000 0.192 625 N C 0.438 176.082 175.510 0.224 0.000 1.141 625 N CA 0.248 53.449 53.050 0.252 0.000 0.851 625 N CB 0.204 38.777 38.487 0.144 0.000 0.976 625 N HN 0.413 nan 8.380 nan 0.000 0.465 626 T N 1.227 115.961 114.554 0.299 0.000 2.624 626 T HA -0.126 4.224 4.350 0.001 0.000 0.266 626 T C -1.467 173.380 174.700 0.245 0.000 1.050 626 T CA 1.646 63.937 62.100 0.318 0.000 1.163 626 T CB -1.324 67.763 68.868 0.364 0.000 0.861 626 T HN 0.459 nan 8.240 nan 0.000 0.443 627 P HA 0.471 nan 4.420 nan 0.000 0.214 627 P C 0.237 177.545 177.300 0.014 0.000 1.826 627 P CA 0.043 63.187 63.100 0.074 0.000 0.977 627 P CB -0.052 31.585 31.700 -0.104 0.000 1.930 628 A N 2.044 124.900 122.820 0.060 0.000 2.070 628 A HA -0.024 4.297 4.320 0.001 0.000 0.220 628 A C 2.195 179.769 177.584 -0.017 0.000 1.159 628 A CA 1.533 53.582 52.037 0.021 0.000 0.656 628 A CB -0.927 18.109 19.000 0.060 0.000 0.800 628 A HN 0.376 nan 8.150 nan 0.000 0.453 629 A N -0.203 122.609 122.820 -0.014 0.000 2.019 629 A HA -0.080 4.241 4.320 0.001 0.000 0.219 629 A C 1.718 179.279 177.584 -0.038 0.000 1.164 629 A CA 1.714 53.731 52.037 -0.034 0.000 0.644 629 A CB -0.291 18.686 19.000 -0.039 0.000 0.805 629 A HN 0.469 nan 8.150 nan 0.000 0.449 630 E N -1.066 119.109 120.200 -0.042 0.000 2.502 630 E HA 0.278 4.629 4.350 0.001 0.000 0.194 630 E C 1.219 177.778 176.600 -0.068 0.000 1.062 630 E CA 0.624 56.993 56.400 -0.051 0.000 0.867 630 E CB -0.265 29.401 29.700 -0.056 0.000 0.888 630 E HN 0.666 nan 8.360 nan 0.000 0.510 631 G N 1.311 110.067 108.800 -0.074 0.000 2.225 631 G HA2 -0.396 3.564 3.960 0.001 0.000 0.267 631 G HA3 -0.396 3.564 3.960 0.001 0.000 0.267 631 G C 0.334 175.164 174.900 -0.116 0.000 1.024 631 G CA 0.655 45.703 45.100 -0.087 0.000 0.784 631 G HN 0.399 nan 8.290 nan 0.000 0.507 632 N N -0.103 118.516 118.700 -0.135 0.000 2.314 632 N HA 0.256 4.997 4.740 0.001 0.000 0.200 632 N C 1.337 176.726 175.510 -0.202 0.000 1.135 632 N CA 0.295 53.245 53.050 -0.166 0.000 0.835 632 N CB 0.147 38.544 38.487 -0.151 0.000 0.989 632 N HN 0.451 nan 8.380 nan 0.000 0.478 633 D N 0.144 120.415 120.400 -0.214 0.000 2.087 633 D HA -0.214 4.427 4.640 0.001 0.000 0.192 633 D C 2.089 178.192 176.300 -0.328 0.000 0.993 633 D CA 1.752 55.571 54.000 -0.301 0.000 0.828 633 D CB -0.178 40.436 40.800 -0.309 0.000 0.968 633 D HN 0.252 nan 8.370 nan 0.000 0.448 634 S N -0.344 115.188 115.700 -0.279 0.000 2.383 634 S HA -0.174 4.297 4.470 0.001 0.000 0.227 634 S C 2.090 176.489 174.600 -0.336 0.000 1.026 634 S CA 1.744 59.797 58.200 -0.244 0.000 0.981 634 S CB -1.046 62.070 63.200 -0.140 0.000 0.818 634 S HN 0.425 nan 8.310 nan 0.000 0.472 635 T N -0.456 113.837 114.554 -0.436 0.000 2.851 635 T HA -0.032 4.319 4.350 0.001 0.000 0.262 635 T C 1.929 176.277 174.700 -0.587 0.000 1.043 635 T CA 1.503 63.096 62.100 -0.845 0.000 1.140 635 T CB -1.374 66.901 68.868 -0.987 0.000 0.872 635 T HN 0.408 nan 8.240 nan 0.000 0.446 636 T N 1.939 116.301 114.554 -0.319 0.000 2.746 636 T HA -0.083 4.267 4.350 0.001 0.000 0.267 636 T C 1.864 176.511 174.700 -0.088 0.000 1.039 636 T CA 1.641 63.671 62.100 -0.117 0.000 1.142 636 T CB -0.342 68.512 68.868 -0.022 0.000 0.866 636 T HN 0.640 nan 8.240 nan 0.000 0.444 637 E N 0.637 120.738 120.200 -0.165 0.000 2.106 637 E HA -0.118 4.233 4.350 0.001 0.000 0.192 637 E C 2.392 178.837 176.600 -0.258 0.000 0.984 637 E CA 1.037 57.373 56.400 -0.108 0.000 0.806 637 E CB -0.178 29.464 29.700 -0.098 0.000 0.750 637 E HN 0.372 nan 8.360 nan 0.000 0.458 638 S N -0.835 114.703 115.700 -0.271 0.000 2.359 638 S HA -0.200 4.271 4.470 0.001 0.000 0.224 638 S C 1.803 176.294 174.600 -0.182 0.000 1.035 638 S CA 1.298 59.345 58.200 -0.254 0.000 1.018 638 S CB -0.403 62.684 63.200 -0.187 0.000 0.876 638 S HN 0.418 nan 8.310 nan 0.000 0.448 639 Y N 1.413 121.623 120.300 -0.151 0.000 2.145 639 Y HA -0.011 4.539 4.550 0.001 0.000 0.286 639 Y C 2.639 178.362 175.900 -0.295 0.000 1.145 639 Y CA 0.931 58.906 58.100 -0.209 0.000 1.148 639 Y CB -0.834 37.515 38.460 -0.185 0.000 0.981 639 Y HN 0.269 nan 8.280 nan 0.000 0.507 640 M N 0.135 119.644 119.600 -0.151 0.000 2.082 640 M HA -0.259 4.221 4.480 0.001 0.000 0.258 640 M C 2.207 178.133 176.300 -0.622 0.000 1.069 640 M CA 1.617 56.748 55.300 -0.281 0.000 1.102 640 M CB -1.263 31.237 32.600 -0.166 0.000 1.336 640 M HN 0.198 nan 8.290 nan 0.000 0.404 641 K N -0.251 119.584 120.400 -0.941 0.000 2.026 641 K HA -0.123 4.198 4.320 0.001 0.000 0.208 641 K C 2.043 178.541 176.600 -0.169 0.000 1.048 641 K CA 1.659 57.483 56.287 -0.772 0.000 0.929 641 K CB -0.398 31.770 32.500 -0.553 0.000 0.713 641 K HN 0.407 nan 8.250 nan 0.000 0.439 642 G N 1.197 109.882 108.800 -0.192 0.000 2.408 642 G HA2 -0.200 3.760 3.960 0.001 0.000 0.217 642 G HA3 -0.200 3.760 3.960 0.001 0.000 0.217 642 G C 1.505 176.506 174.900 0.169 0.000 1.150 642 G CA 0.595 45.647 45.100 -0.081 0.000 0.776 642 G HN 0.203 nan 8.290 nan 0.000 0.542 643 L N -1.215 120.039 121.223 0.052 0.000 2.046 643 L HA -0.063 4.278 4.340 0.001 0.000 0.208 643 L C 2.604 179.650 176.870 0.293 0.000 1.077 643 L CA 1.358 56.260 54.840 0.104 0.000 0.747 643 L CB -0.400 41.663 42.059 0.006 0.000 0.896 643 L HN 0.446 nan 8.230 nan 0.000 0.432 644 W N 0.969 122.333 121.300 0.108 0.000 2.378 644 W HA -0.159 4.502 4.660 0.001 0.000 0.313 644 W C 2.220 178.836 176.519 0.162 0.000 1.197 644 W CA 1.210 58.682 57.345 0.213 0.000 1.304 644 W CB -0.383 29.265 29.460 0.314 0.000 1.148 644 W HN -0.072 nan 8.180 nan 0.000 0.494 645 L N 1.156 122.397 121.223 0.030 0.000 2.191 645 L HA -0.180 4.160 4.340 0.001 0.000 0.212 645 L C 2.225 179.015 176.870 -0.132 0.000 1.103 645 L CA 1.727 56.468 54.840 -0.165 0.000 0.769 645 L CB -0.988 41.141 42.059 0.116 0.000 0.908 645 L HN 0.171 nan 8.230 nan 0.000 0.438 646 S N -2.169 113.517 115.700 -0.023 0.000 2.582 646 S HA 0.106 4.576 4.470 0.001 0.000 0.234 646 S C 0.547 174.923 174.600 -0.372 0.000 0.961 646 S CA -0.427 57.694 58.200 -0.132 0.000 0.953 646 S CB -0.037 63.203 63.200 0.066 0.000 0.800 646 S HN 0.448 nan 8.310 nan 0.000 0.471 647 N N 1.838 120.273 118.700 -0.443 0.000 2.747 647 N HA -0.158 4.583 4.740 0.001 0.000 0.249 647 N C -0.093 174.841 175.510 -0.960 0.000 1.107 647 N CA 1.068 53.521 53.050 -0.995 0.000 0.707 647 N CB -2.153 35.452 38.487 -1.470 0.000 1.054 647 N HN 0.683 nan 8.380 nan 0.000 0.555 648 H N -1.729 117.233 119.070 -0.180 0.000 2.551 648 H HA 0.220 4.776 4.556 0.001 0.000 0.271 648 H C 0.603 176.200 175.328 0.448 0.000 0.984 648 H CA 0.992 57.081 56.048 0.069 0.000 1.164 648 H CB 1.108 30.833 29.762 -0.062 0.000 1.437 648 H HN 0.229 nan 8.280 nan 0.000 0.550 649 T N -1.057 113.888 114.554 0.652 0.000 2.932 649 T HA 0.086 4.436 4.350 0.001 0.000 0.318 649 T C 0.019 175.319 174.700 1.000 0.000 1.265 649 T CA -0.640 61.967 62.100 0.845 0.000 1.036 649 T CB 1.231 70.586 68.868 0.810 0.000 1.209 649 T HN 0.036 nan 8.240 nan 0.000 0.484 650 Y N 3.037 123.819 120.300 0.803 0.000 2.163 650 Y HA 0.259 4.810 4.550 0.001 0.000 0.288 650 Y C 0.962 177.308 175.900 0.744 0.000 1.136 650 Y CA 1.493 60.019 58.100 0.710 0.000 1.147 650 Y CB 0.340 39.076 38.460 0.460 0.000 0.987 650 Y HN 0.540 nan 8.280 nan 0.000 0.509 651 Q N -1.291 118.797 119.800 0.480 0.000 2.626 651 Q HA 0.240 4.581 4.340 0.001 0.000 0.300 651 Q C -1.162 174.955 176.000 0.196 0.000 0.988 651 Q CA -0.621 55.229 55.803 0.077 0.000 0.761 651 Q CB 1.973 30.637 28.738 -0.124 0.000 1.494 651 Q HN 0.439 nan 8.270 nan 0.000 0.439 652 W N -0.929 120.189 121.300 -0.302 0.000 3.032 652 W HA 0.859 5.519 4.660 0.001 0.000 0.341 652 W C -0.976 175.396 176.519 -0.243 0.000 1.202 652 W CA -0.540 56.729 57.345 -0.128 0.000 1.132 652 W CB 0.985 30.413 29.460 -0.054 0.000 1.465 652 W HN 0.775 nan 8.180 nan 0.000 0.576 653 G N -0.352 108.390 108.800 -0.097 0.000 2.510 653 G HA2 0.581 4.542 3.960 0.001 0.000 0.277 653 G HA3 0.581 4.542 3.960 0.001 0.000 0.277 653 G C -1.461 173.141 174.900 -0.496 0.000 1.223 653 G CA -0.055 44.705 45.100 -0.567 0.000 0.887 653 G HN 1.089 nan 8.290 nan 0.000 0.485 654 G N -1.002 107.276 108.800 -0.869 0.000 2.706 654 G HA2 0.626 4.587 3.960 0.001 0.000 0.297 654 G HA3 0.626 4.587 3.960 0.001 0.000 0.297 654 G C -1.758 172.625 174.900 -0.862 0.000 1.403 654 G CA -0.569 43.536 45.100 -1.658 0.000 0.954 654 G HN 0.967 nan 8.290 nan 0.000 0.500 655 L N 1.681 122.577 121.223 -0.545 0.000 2.280 655 L HA 0.729 5.069 4.340 0.001 0.000 0.287 655 L C -0.287 176.627 176.870 0.073 0.000 1.023 655 L CA -0.805 53.942 54.840 -0.155 0.000 0.819 655 L CB 1.009 43.139 42.059 0.118 0.000 1.212 655 L HN 0.493 nan 8.230 nan 0.000 0.420 656 M N 5.006 124.583 119.600 -0.038 0.000 2.180 656 M HA 0.342 4.823 4.480 0.001 0.000 0.350 656 M C -1.077 175.407 176.300 0.306 0.000 1.125 656 M CA -0.263 55.161 55.300 0.207 0.000 1.031 656 M CB 1.375 34.080 32.600 0.175 0.000 1.623 656 M HN 0.397 nan 8.290 nan 0.000 0.451 657 D N 1.270 121.878 120.400 0.348 0.000 2.593 657 D HA 0.212 4.852 4.640 0.001 0.000 0.251 657 D C 0.845 177.383 176.300 0.397 0.000 1.140 657 D CA -0.351 53.882 54.000 0.388 0.000 0.855 657 D CB 1.618 42.662 40.800 0.406 0.000 1.267 657 D HN 0.709 nan 8.370 nan 0.000 0.532 658 T N 0.296 115.072 114.554 0.370 0.000 3.051 658 T HA -0.104 4.246 4.350 0.001 0.000 0.269 658 T C 1.567 176.505 174.700 0.397 0.000 1.127 658 T CA 0.459 62.766 62.100 0.344 0.000 1.107 658 T CB -0.399 68.676 68.868 0.345 0.000 0.898 658 T HN 0.486 nan 8.240 nan 0.000 0.517 659 W N 2.808 124.329 121.300 0.368 0.000 2.538 659 W HA 0.069 4.729 4.660 0.001 0.000 0.254 659 W C 2.363 179.130 176.519 0.414 0.000 1.249 659 W CA 0.561 58.147 57.345 0.401 0.000 1.253 659 W CB -0.089 29.538 29.460 0.278 0.000 1.130 659 W HN 0.442 nan 8.180 nan 0.000 0.618 660 K N -0.393 120.331 120.400 0.541 0.000 2.218 660 K HA -0.258 4.062 4.320 0.001 0.000 0.205 660 K C 1.878 178.714 176.600 0.393 0.000 1.046 660 K CA 1.432 57.958 56.287 0.399 0.000 0.933 660 K CB -1.232 31.451 32.500 0.305 0.000 0.728 660 K HN 0.281 nan 8.250 nan 0.000 0.454 661 W N 1.124 122.570 121.300 0.242 0.000 2.402 661 W HA -0.201 4.460 4.660 0.001 0.000 0.286 661 W C 1.850 178.512 176.519 0.238 0.000 1.221 661 W CA 1.200 58.650 57.345 0.176 0.000 1.257 661 W CB -0.148 29.390 29.460 0.130 0.000 1.120 661 W HN 0.187 nan 8.180 nan 0.000 0.551 662 Y N 1.806 122.359 120.300 0.422 0.000 2.133 662 Y HA -0.205 4.345 4.550 0.001 0.000 0.287 662 Y C 2.364 178.408 175.900 0.240 0.000 1.134 662 Y CA 2.153 60.468 58.100 0.359 0.000 1.133 662 Y CB -0.781 38.015 38.460 0.560 0.000 0.987 662 Y HN -0.225 nan 8.280 nan 0.000 0.502 663 E N -0.296 120.015 120.200 0.186 0.000 2.209 663 E HA -0.163 4.187 4.350 0.001 0.000 0.196 663 E C 1.947 178.500 176.600 -0.078 0.000 0.993 663 E CA 1.824 58.213 56.400 -0.020 0.000 0.819 663 E CB -0.522 29.261 29.700 0.138 0.000 0.745 663 E HN 0.693 nan 8.360 nan 0.000 0.477 664 T N -3.549 110.975 114.554 -0.050 0.000 3.086 664 T HA 0.340 4.691 4.350 0.001 0.000 0.250 664 T C 1.348 175.955 174.700 -0.156 0.000 1.074 664 T CA 0.491 62.525 62.100 -0.111 0.000 0.988 664 T CB 0.484 69.270 68.868 -0.137 0.000 0.988 664 T HN 0.187 nan 8.240 nan 0.000 0.530 665 G N 1.816 110.532 108.800 -0.140 0.000 2.160 665 G HA2 -0.270 3.691 3.960 0.001 0.000 0.251 665 G HA3 -0.270 3.691 3.960 0.001 0.000 0.251 665 G C -0.048 174.776 174.900 -0.127 0.000 1.008 665 G CA 0.187 45.217 45.100 -0.115 0.000 0.724 665 G HN 0.657 nan 8.290 nan 0.000 0.514 666 K N -0.584 119.642 120.400 -0.289 0.000 2.168 666 K HA 0.521 4.841 4.320 0.001 0.000 0.258 666 K C 1.173 177.699 176.600 -0.122 0.000 1.010 666 K CA 0.090 56.109 56.287 -0.446 0.000 0.929 666 K CB 0.783 32.427 32.500 -1.427 0.000 0.998 666 K HN 0.519 nan 8.250 nan 0.000 0.479 667 W N 0.830 121.860 121.300 -0.450 0.000 4.392 667 W HA 0.317 4.978 4.660 0.001 0.000 0.628 667 W C -0.485 175.451 176.519 -0.970 0.000 3.369 667 W CA -0.410 56.350 57.345 -0.975 0.000 1.118 667 W CB -0.784 27.870 29.460 -1.343 0.000 2.216 667 W HN 0.318 nan 8.180 nan 0.000 0.389 668 K N 1.867 121.196 120.400 -1.786 0.000 2.524 668 K HA 0.099 4.420 4.320 0.001 0.000 0.279 668 K C -0.060 176.097 176.600 -0.738 0.000 0.993 668 K CA -0.278 55.261 56.287 -1.247 0.000 1.030 668 K CB 0.378 32.161 32.500 -1.196 0.000 0.891 668 K HN 0.311 nan 8.250 nan 0.000 0.488 669 L N 6.122 127.091 121.223 -0.423 0.000 2.540 669 L HA -0.014 4.327 4.340 0.001 0.000 0.276 669 L C -0.213 176.420 176.870 -0.394 0.000 1.212 669 L CA 0.985 55.572 54.840 -0.421 0.000 0.893 669 L CB -0.544 41.167 42.059 -0.579 0.000 1.138 669 L HN 0.914 nan 8.230 nan 0.000 0.491 670 F N 1.370 121.268 119.950 -0.088 0.000 2.825 670 F HA -0.280 4.248 4.527 0.001 0.000 0.358 670 F C 1.089 176.762 175.800 -0.211 0.000 0.639 670 F CA 0.634 58.570 58.000 -0.106 0.000 1.153 670 F CB -2.506 36.459 39.000 -0.058 0.000 1.610 670 F HN 0.690 nan 8.300 nan 0.000 0.305 671 A N 0.089 122.736 122.820 -0.288 0.000 2.346 671 A HA 0.561 4.881 4.320 0.001 0.000 0.252 671 A C 0.791 178.264 177.584 -0.185 0.000 1.089 671 A CA 0.610 52.393 52.037 -0.424 0.000 0.797 671 A CB 0.496 18.759 19.000 -1.229 0.000 1.047 671 A HN 0.420 nan 8.150 nan 0.000 0.494 672 S N -0.585 115.118 115.700 0.005 0.000 2.617 672 S HA 0.640 5.111 4.470 0.001 0.000 0.283 672 S C 0.252 175.021 174.600 0.281 0.000 1.189 672 S CA 0.628 58.893 58.200 0.108 0.000 1.036 672 S CB 0.382 63.635 63.200 0.089 0.000 1.014 672 S HN 2.622 nan 8.310 nan 0.000 0.522 673 G N 3.052 111.959 108.800 0.178 0.000 2.692 673 G HA2 -0.125 3.836 3.960 0.001 0.000 0.686 673 G HA3 -0.125 3.836 3.960 0.001 0.000 0.686 673 G C -1.011 173.974 174.900 0.142 0.000 1.243 673 G CA -0.665 44.519 45.100 0.140 0.000 0.782 673 G HN 0.845 nan 8.290 nan 0.000 0.625 674 N N 0.075 118.780 118.700 0.008 0.000 2.372 674 N HA 0.517 5.258 4.740 0.001 0.000 0.291 674 N C 1.348 176.793 175.510 -0.108 0.000 1.024 674 N CA -0.389 52.642 53.050 -0.031 0.000 0.873 674 N CB 1.407 39.864 38.487 -0.049 0.000 1.206 674 N HN 0.986 nan 8.380 nan 0.000 0.486 675 I N 0.462 120.954 120.570 -0.131 0.000 3.956 675 I HA 0.407 4.577 4.170 0.001 0.000 0.333 675 I C 1.037 177.100 176.117 -0.090 0.000 1.302 675 I CA -0.239 60.961 61.300 -0.167 0.000 1.122 675 I CB -0.156 37.703 38.000 -0.234 0.000 1.013 675 I HN 0.588 nan 8.210 nan 0.000 0.405 676 G N 2.592 111.339 108.800 -0.088 0.000 2.601 676 G HA2 -0.312 3.648 3.960 0.001 0.000 0.261 676 G HA3 -0.312 3.648 3.960 0.001 0.000 0.261 676 G C -0.129 174.695 174.900 -0.127 0.000 1.289 676 G CA 0.090 45.129 45.100 -0.102 0.000 0.920 676 G HN 0.496 nan 8.290 nan 0.000 0.571 677 K N 1.180 121.464 120.400 -0.192 0.000 2.518 677 K HA 0.393 4.714 4.320 0.001 0.000 0.244 677 K C 1.187 177.821 176.600 0.055 0.000 1.232 677 K CA 0.524 56.575 56.287 -0.394 0.000 1.189 677 K CB 0.153 32.304 32.500 -0.581 0.000 1.737 677 K HN 0.622 nan 8.250 nan 0.000 0.333 678 S N -0.525 115.282 115.700 0.178 0.000 2.589 678 S HA 0.075 4.545 4.470 0.001 0.000 0.235 678 S C 0.733 175.467 174.600 0.223 0.000 1.051 678 S CA -0.397 57.911 58.200 0.180 0.000 0.978 678 S CB 0.489 63.733 63.200 0.073 0.000 0.929 678 S HN 0.239 nan 8.310 nan 0.000 0.523 679 Q N 1.059 121.050 119.800 0.319 0.000 2.409 679 Q HA 0.364 4.704 4.340 0.001 0.000 0.345 679 Q C 1.143 177.256 176.000 0.187 0.000 0.847 679 Q CA 0.205 56.139 55.803 0.217 0.000 1.092 679 Q CB 0.605 29.509 28.738 0.277 0.000 1.377 679 Q HN 0.472 nan 8.270 nan 0.000 0.399 680 G N 1.466 110.398 108.800 0.220 0.000 2.574 680 G HA2 -0.293 3.668 3.960 0.001 0.000 0.220 680 G HA3 -0.293 3.668 3.960 0.001 0.000 0.220 680 G C 0.974 175.702 174.900 -0.287 0.000 1.173 680 G CA 1.138 46.247 45.100 0.015 0.000 0.772 680 G HN 0.345 nan 8.290 nan 0.000 0.585 681 D N 0.029 120.211 120.400 -0.364 0.000 2.277 681 D HA -0.003 4.637 4.640 0.001 0.000 0.208 681 D C 2.691 178.252 176.300 -1.232 0.000 0.962 681 D CA 0.356 53.841 54.000 -0.858 0.000 0.865 681 D CB -0.041 40.527 40.800 -0.387 0.000 0.939 681 D HN 0.336 nan 8.370 nan 0.000 0.510 682 R N 0.537 120.549 120.500 -0.812 0.000 2.093 682 R HA -0.010 4.331 4.340 0.001 0.000 0.224 682 R C 2.289 178.247 176.300 -0.570 0.000 1.101 682 R CA 0.712 56.264 56.100 -0.914 0.000 0.979 682 R CB -0.039 29.587 30.300 -1.122 0.000 0.877 682 R HN 0.230 nan 8.270 nan 0.000 0.441 683 Q N 0.006 119.696 119.800 -0.183 0.000 2.083 683 Q HA -0.123 4.218 4.340 0.001 0.000 0.198 683 Q C 1.900 177.889 176.000 -0.019 0.000 0.969 683 Q CA 1.292 57.241 55.803 0.243 0.000 0.838 683 Q CB -0.076 28.970 28.738 0.514 0.000 0.900 683 Q HN 0.603 nan 8.270 nan 0.000 0.436 684 W N 0.029 121.112 121.300 -0.362 0.000 2.825 684 W HA 0.015 4.676 4.660 0.002 0.000 0.243 684 W C 0.599 176.802 176.519 -0.526 0.000 1.293 684 W CA 0.214 57.251 57.345 -0.513 0.000 1.403 684 W CB -0.199 28.582 29.460 -1.131 0.000 1.134 684 W HN 0.089 nan 8.180 nan 0.000 0.666 685 L N 1.175 121.913 121.223 -0.809 0.000 2.529 685 L HA 0.021 4.361 4.340 0.001 0.000 0.223 685 L C 2.254 178.511 176.870 -1.023 0.000 1.113 685 L CA 0.868 55.029 54.840 -1.131 0.000 0.861 685 L CB -0.309 40.918 42.059 -1.387 0.000 1.012 685 L HN -0.152 nan 8.230 nan 0.000 0.461 686 T N -1.525 112.579 114.554 -0.750 0.000 3.035 686 T HA -0.079 4.271 4.350 0.001 0.000 0.259 686 T C 0.779 174.805 174.700 -1.122 0.000 1.078 686 T CA -0.002 61.602 62.100 -0.827 0.000 1.132 686 T CB -0.017 68.493 68.868 -0.595 0.000 0.900 686 T HN 0.255 nan 8.240 nan 0.000 0.480 687 E N 2.905 122.455 120.200 -1.084 0.000 2.480 687 E HA 0.007 4.358 4.350 0.001 0.000 0.258 687 E C -2.578 173.726 176.600 -0.494 0.000 0.984 687 E CA -1.678 54.153 56.400 -0.948 0.000 0.930 687 E CB 0.477 30.018 29.700 -0.266 0.000 0.936 687 E HN 0.078 nan 8.360 nan 0.000 0.466 688 P HA -0.079 nan 4.420 nan 0.000 0.264 688 P C -0.245 176.945 177.300 -0.183 0.000 1.183 688 P CA 0.256 63.095 63.100 -0.434 0.000 0.763 688 P CB 0.648 31.875 31.700 -0.790 0.000 0.807 689 E N 1.620 121.766 120.200 -0.090 0.000 2.049 689 E HA -0.219 4.132 4.350 0.001 0.000 0.198 689 E C 1.902 178.520 176.600 0.030 0.000 1.007 689 E CA 2.359 58.753 56.400 -0.011 0.000 0.809 689 E CB -0.584 29.187 29.700 0.119 0.000 0.749 689 E HN 0.536 nan 8.360 nan 0.000 0.450 690 S N 0.070 115.826 115.700 0.092 0.000 2.447 690 S HA -0.157 4.314 4.470 0.001 0.000 0.233 690 S C 1.965 176.691 174.600 0.209 0.000 1.006 690 S CA 1.063 59.389 58.200 0.210 0.000 0.957 690 S CB -0.232 63.082 63.200 0.191 0.000 0.773 690 S HN 0.241 nan 8.310 nan 0.000 0.507 691 M N 0.778 120.434 119.600 0.094 0.000 2.296 691 M HA 0.007 4.488 4.480 0.001 0.000 0.265 691 M C 1.410 177.713 176.300 0.005 0.000 1.064 691 M CA 1.141 56.485 55.300 0.073 0.000 1.109 691 M CB -0.226 32.425 32.600 0.085 0.000 1.396 691 M HN 0.274 nan 8.290 nan 0.000 0.430 692 L N -0.146 121.074 121.223 -0.004 0.000 2.131 692 L HA -0.106 4.235 4.340 0.001 0.000 0.210 692 L C 2.586 179.393 176.870 -0.104 0.000 1.092 692 L CA 1.996 56.838 54.840 0.003 0.000 0.759 692 L CB -2.332 39.682 42.059 -0.075 0.000 0.903 692 L HN 0.434 nan 8.230 nan 0.000 0.435 693 G N -0.552 108.144 108.800 -0.173 0.000 2.408 693 G HA2 -0.223 3.738 3.960 0.001 0.000 0.217 693 G HA3 -0.223 3.738 3.960 0.001 0.000 0.217 693 G C 1.508 175.983 174.900 -0.708 0.000 1.150 693 G CA 0.368 45.157 45.100 -0.518 0.000 0.776 693 G HN 0.422 nan 8.290 nan 0.000 0.542 694 E N 0.576 120.494 120.200 -0.471 0.000 2.077 694 E HA -0.130 4.221 4.350 0.001 0.000 0.193 694 E C 2.424 178.823 176.600 -0.335 0.000 0.989 694 E CA 1.173 57.255 56.400 -0.531 0.000 0.800 694 E CB -0.129 29.164 29.700 -0.678 0.000 0.746 694 E HN 0.588 nan 8.360 nan 0.000 0.452 695 E N 0.804 120.893 120.200 -0.184 0.000 2.058 695 E HA -0.210 4.141 4.350 0.001 0.000 0.194 695 E C 2.118 178.758 176.600 0.067 0.000 0.997 695 E CA 1.092 57.487 56.400 -0.009 0.000 0.801 695 E CB -0.196 29.555 29.700 0.087 0.000 0.746 695 E HN 0.237 nan 8.360 nan 0.000 0.450 696 A N 1.084 123.856 122.820 -0.079 0.000 2.015 696 A HA -0.112 4.209 4.320 0.001 0.000 0.219 696 A C 2.161 179.791 177.584 0.077 0.000 1.163 696 A CA 0.824 52.807 52.037 -0.090 0.000 0.646 696 A CB -0.499 18.100 19.000 -0.668 0.000 0.806 696 A HN 0.139 nan 8.150 nan 0.000 0.448 697 L N -0.814 120.413 121.223 0.007 0.000 2.141 697 L HA -0.117 4.223 4.340 0.001 0.000 0.209 697 L C 2.723 179.788 176.870 0.325 0.000 1.094 697 L CA 0.911 55.934 54.840 0.306 0.000 0.763 697 L CB -0.517 41.700 42.059 0.263 0.000 0.908 697 L HN 0.500 nan 8.230 nan 0.000 0.437 698 G N -0.767 108.202 108.800 0.281 0.000 2.432 698 G HA2 -0.170 3.791 3.960 0.001 0.000 0.219 698 G HA3 -0.170 3.791 3.960 0.001 0.000 0.219 698 G C 1.554 176.681 174.900 0.377 0.000 1.135 698 G CA 0.784 46.075 45.100 0.319 0.000 0.767 698 G HN 0.196 nan 8.290 nan 0.000 0.550 699 V N -0.075 120.053 119.914 0.357 0.000 2.270 699 V HA -0.189 3.931 4.120 0.001 0.000 0.245 699 V C 2.246 178.342 176.094 0.003 0.000 1.043 699 V CA 1.813 64.160 62.300 0.078 0.000 1.014 699 V CB -0.802 30.933 31.823 -0.148 0.000 0.645 699 V HN 0.469 nan 8.190 nan 0.000 0.447 700 Y N 0.751 121.149 120.300 0.163 0.000 2.097 700 Y HA -0.219 4.331 4.550 0.001 0.000 0.282 700 Y C 2.168 178.091 175.900 0.039 0.000 1.152 700 Y CA 1.737 59.932 58.100 0.157 0.000 1.136 700 Y CB -0.396 38.263 38.460 0.332 0.000 0.975 700 Y HN 0.137 nan 8.280 nan 0.000 0.498 701 L N 0.306 121.520 121.223 -0.015 0.000 2.456 701 L HA -0.171 4.169 4.340 0.001 0.000 0.224 701 L C 0.571 177.407 176.870 -0.056 0.000 1.148 701 L CA 1.405 56.144 54.840 -0.170 0.000 0.825 701 L CB -0.464 41.563 42.059 -0.053 0.000 0.937 701 L HN 0.334 nan 8.230 nan 0.000 0.450 702 N N -0.961 117.789 118.700 0.082 0.000 2.200 702 N HA 0.217 4.957 4.740 0.001 0.000 0.224 702 N C 0.898 176.658 175.510 0.416 0.000 1.179 702 N CA 0.585 53.803 53.050 0.280 0.000 0.877 702 N CB 1.392 40.116 38.487 0.396 0.000 1.072 702 N HN 0.165 nan 8.380 nan 0.000 0.519 703 G N -0.430 108.408 108.800 0.064 0.000 2.176 703 G HA2 -0.203 3.757 3.960 0.001 0.000 0.232 703 G HA3 -0.203 3.757 3.960 0.001 0.000 0.232 703 G C 0.427 174.857 174.900 -0.783 0.000 0.986 703 G CA -0.311 44.729 45.100 -0.099 0.000 0.643 703 G HN 0.501 nan 8.290 nan 0.000 0.522 704 G N -0.693 107.467 108.800 -1.068 0.000 2.467 704 G HA2 0.599 4.560 3.960 0.001 0.000 0.257 704 G HA3 0.599 4.560 3.960 0.001 0.000 0.257 704 G C 1.035 175.351 174.900 -0.974 0.000 1.227 704 G CA 0.708 44.649 45.100 -1.932 0.000 0.835 704 G HN 1.511 nan 8.290 nan 0.000 0.556 705 V N -0.674 118.720 119.914 -0.867 0.000 3.382 705 V HA 0.395 4.516 4.120 0.001 0.000 0.296 705 V C -0.122 175.789 176.094 -0.306 0.000 1.529 705 V CA -0.226 61.842 62.300 -0.387 0.000 1.048 705 V CB 0.075 31.773 31.823 -0.208 0.000 0.878 705 V HN 0.385 nan 8.190 nan 0.000 0.442 706 V N 1.510 121.051 119.914 -0.620 0.000 2.540 706 V HA 0.660 4.780 4.120 0.001 0.000 0.302 706 V C -1.114 174.602 176.094 -0.631 0.000 1.035 706 V CA -0.581 61.496 62.300 -0.371 0.000 0.873 706 V CB 1.534 33.213 31.823 -0.240 0.000 0.992 706 V HN 0.405 nan 8.190 nan 0.000 0.428 707 Y N 3.035 123.271 120.300 -0.107 0.000 2.425 707 Y HA 0.710 5.261 4.550 0.001 0.000 0.344 707 Y C 0.147 175.909 175.900 -0.229 0.000 0.969 707 Y CA -0.652 57.322 58.100 -0.210 0.000 1.052 707 Y CB 2.219 40.659 38.460 -0.035 0.000 1.215 707 Y HN 0.646 nan 8.280 nan 0.000 0.451 708 N N 1.408 119.925 118.700 -0.304 0.000 2.591 708 N HA 0.570 5.311 4.740 0.001 0.000 0.263 708 N C -2.111 173.177 175.510 -0.370 0.000 1.308 708 N CA -0.922 52.072 53.050 -0.093 0.000 0.837 708 N CB 1.573 40.035 38.487 -0.042 0.000 1.548 708 N HN 0.450 nan 8.380 nan 0.000 0.493 709 F N 0.056 120.219 119.950 0.355 0.000 2.599 709 F HA 0.519 5.047 4.527 0.001 0.000 0.311 709 F C 0.212 176.207 175.800 0.326 0.000 1.076 709 F CA -0.560 57.602 58.000 0.271 0.000 0.937 709 F CB 2.166 41.195 39.000 0.048 0.000 1.282 709 F HN 0.250 nan 8.300 nan 0.000 0.460 710 E N -0.388 120.069 120.200 0.428 0.000 2.392 710 E HA 0.200 4.551 4.350 0.001 0.000 0.269 710 E C -1.444 175.330 176.600 0.290 0.000 0.924 710 E CA -1.075 55.503 56.400 0.296 0.000 0.784 710 E CB 2.144 32.012 29.700 0.281 0.000 1.292 710 E HN 0.489 nan 8.360 nan 0.000 0.447 711 H N 2.255 121.322 119.070 -0.004 0.000 2.764 711 H HA 0.098 4.654 4.556 0.001 0.000 0.341 711 H C -1.949 173.301 175.328 -0.130 0.000 1.072 711 H CA -1.729 54.140 56.048 -0.299 0.000 1.444 711 H CB 1.257 30.287 29.762 -1.219 0.000 1.458 711 H HN 0.224 nan 8.280 nan 0.000 0.572 712 P HA -0.113 nan 4.420 nan 0.000 0.218 712 P C 1.056 178.545 177.300 0.315 0.000 1.148 712 P CA 1.931 65.161 63.100 0.218 0.000 0.822 712 P CB 0.109 31.758 31.700 -0.086 0.000 0.784 713 A N -1.559 121.495 122.820 0.390 0.000 1.930 713 A HA -0.223 4.098 4.320 0.001 0.000 0.217 713 A C 2.248 180.050 177.584 0.363 0.000 1.175 713 A CA 1.392 53.623 52.037 0.324 0.000 0.627 713 A CB -1.691 17.485 19.000 0.294 0.000 0.815 713 A HN 0.152 nan 8.150 nan 0.000 0.443 714 Y N 1.499 121.919 120.300 0.200 0.000 2.231 714 Y HA -0.085 4.466 4.550 0.001 0.000 0.294 714 Y C 2.790 178.754 175.900 0.107 0.000 1.120 714 Y CA 1.985 60.166 58.100 0.135 0.000 1.141 714 Y CB -0.897 37.654 38.460 0.151 0.000 1.022 714 Y HN 0.400 nan 8.280 nan 0.000 0.523 715 T N -2.336 112.204 114.554 -0.024 0.000 2.951 715 T HA -0.105 4.246 4.350 0.001 0.000 0.268 715 T C 1.323 175.839 174.700 -0.306 0.000 1.073 715 T CA 1.609 63.519 62.100 -0.317 0.000 1.134 715 T CB -0.572 68.115 68.868 -0.302 0.000 0.884 715 T HN 0.399 nan 8.240 nan 0.000 0.479 716 Y N 1.192 121.529 120.300 0.062 0.000 2.678 716 Y HA 0.569 5.119 4.550 0.001 0.000 0.274 716 Y C 1.649 177.503 175.900 -0.077 0.000 1.114 716 Y CA 0.161 58.215 58.100 -0.076 0.000 1.274 716 Y CB 0.505 38.870 38.460 -0.159 0.000 1.438 716 Y HN 0.592 nan 8.280 nan 0.000 0.493 717 G N -0.137 108.785 108.800 0.203 0.000 2.340 717 G HA2 0.334 4.295 3.960 0.001 0.000 0.282 717 G HA3 0.334 4.295 3.960 0.001 0.000 0.282 717 G C -1.823 173.179 174.900 0.171 0.000 1.312 717 G CA -0.494 44.712 45.100 0.178 0.000 0.942 717 G HN 0.533 nan 8.290 nan 0.000 0.495 718 V N -3.711 116.293 119.914 0.150 0.000 3.078 718 V HA 0.850 4.971 4.120 0.001 0.000 0.311 718 V C 0.405 176.566 176.094 0.112 0.000 1.138 718 V CA -0.211 62.179 62.300 0.151 0.000 1.007 718 V CB 1.712 33.641 31.823 0.176 0.000 1.045 718 V HN 1.649 nan 8.190 nan 0.000 0.432 719 N N 2.225 120.995 118.700 0.117 0.000 2.735 719 N HA -0.215 4.526 4.740 0.001 0.000 0.248 719 N C 0.428 175.983 175.510 0.076 0.000 1.083 719 N CA 1.198 54.305 53.050 0.096 0.000 0.703 719 N CB -1.342 37.194 38.487 0.082 0.000 1.005 719 N HN 1.058 nan 8.380 nan 0.000 0.550 720 N N -2.034 116.708 118.700 0.069 0.000 2.708 720 N HA -0.205 4.535 4.740 0.001 0.000 0.251 720 N C -0.508 175.018 175.510 0.025 0.000 1.123 720 N CA 1.388 54.463 53.050 0.042 0.000 0.739 720 N CB -0.733 37.786 38.487 0.054 0.000 1.113 720 N HN 0.639 nan 8.380 nan 0.000 0.561 721 K N 0.838 121.258 120.400 0.035 0.000 2.203 721 K HA 0.337 4.657 4.320 0.001 0.000 0.251 721 K C 0.036 176.655 176.600 0.030 0.000 0.944 721 K CA -0.574 55.733 56.287 0.033 0.000 0.829 721 K CB 1.658 34.185 32.500 0.045 0.000 1.125 721 K HN 0.075 nan 8.250 nan 0.000 0.430 722 E N 1.461 121.682 120.200 0.035 0.000 2.316 722 E HA 0.035 4.386 4.350 0.001 0.000 0.275 722 E C -0.159 176.523 176.600 0.137 0.000 1.029 722 E CA -0.342 56.096 56.400 0.063 0.000 0.871 722 E CB 0.988 30.784 29.700 0.159 0.000 1.022 722 E HN 0.552 nan 8.360 nan 0.000 0.418 723 S N 2.594 118.415 115.700 0.201 0.000 2.584 723 S HA 0.068 4.539 4.470 0.001 0.000 0.270 723 S C 1.134 175.886 174.600 0.254 0.000 1.346 723 S CA -0.562 57.815 58.200 0.296 0.000 1.018 723 S CB 0.650 64.118 63.200 0.448 0.000 0.899 723 S HN 0.534 nan 8.310 nan 0.000 0.542 724 L N 1.123 122.461 121.223 0.192 0.000 2.131 724 L HA -0.053 4.287 4.340 0.001 0.000 0.210 724 L C 2.552 179.591 176.870 0.282 0.000 1.092 724 L CA 0.926 55.859 54.840 0.155 0.000 0.759 724 L CB -0.577 41.565 42.059 0.139 0.000 0.903 724 L HN 0.745 nan 8.230 nan 0.000 0.435 725 L N -0.999 120.483 121.223 0.432 0.000 1.990 725 L HA -0.316 4.024 4.340 0.001 0.000 0.213 725 L C 2.555 179.407 176.870 -0.030 0.000 1.072 725 L CA 1.746 56.679 54.840 0.155 0.000 0.755 725 L CB -0.284 41.645 42.059 -0.215 0.000 0.889 725 L HN 0.179 nan 8.230 nan 0.000 0.432 726 F N 0.301 120.175 119.950 -0.127 0.000 2.075 726 F HA -0.282 4.246 4.527 0.001 0.000 0.297 726 F C 2.875 178.611 175.800 -0.106 0.000 1.113 726 F CA 1.946 59.835 58.000 -0.186 0.000 1.218 726 F CB -0.344 38.578 39.000 -0.130 0.000 0.984 726 F HN 0.282 nan 8.300 nan 0.000 0.472 727 S N -0.825 114.924 115.700 0.082 0.000 2.387 727 S HA -0.107 4.364 4.470 0.001 0.000 0.226 727 S C 1.620 176.129 174.600 -0.151 0.000 1.026 727 S CA 1.166 59.366 58.200 0.000 0.000 0.972 727 S CB -0.396 62.838 63.200 0.058 0.000 0.814 727 S HN 0.435 nan 8.310 nan 0.000 0.477 728 E N 0.422 120.492 120.200 -0.217 0.000 2.415 728 E HA 0.291 4.642 4.350 0.001 0.000 0.197 728 E C 1.701 178.181 176.600 -0.201 0.000 1.007 728 E CA 0.292 56.496 56.400 -0.327 0.000 0.890 728 E CB 0.335 29.546 29.700 -0.815 0.000 0.891 728 E HN 0.511 nan 8.360 nan 0.000 0.496 729 V N 0.149 119.976 119.914 -0.144 0.000 3.264 729 V HA 0.109 4.229 4.120 0.001 0.000 0.217 729 V C 2.092 178.102 176.094 -0.140 0.000 1.236 729 V CA 0.075 62.343 62.300 -0.053 0.000 1.287 729 V CB -0.117 31.712 31.823 0.011 0.000 1.241 729 V HN 0.013 nan 8.190 nan 0.000 0.518 730 I N 0.733 121.079 120.570 -0.373 0.000 2.286 730 I HA -0.189 3.982 4.170 0.001 0.000 0.245 730 I C 2.482 178.323 176.117 -0.460 0.000 1.104 730 I CA 1.732 62.732 61.300 -0.501 0.000 1.397 730 I CB -0.209 37.259 38.000 -0.887 0.000 1.072 730 I HN 0.299 nan 8.210 nan 0.000 0.417 731 K N 0.896 120.858 120.400 -0.731 0.000 2.057 731 K HA -0.192 4.129 4.320 0.001 0.000 0.207 731 K C 2.006 178.518 176.600 -0.147 0.000 1.049 731 K CA 1.336 57.323 56.287 -0.500 0.000 0.931 731 K CB 0.110 32.318 32.500 -0.485 0.000 0.714 731 K HN 0.142 nan 8.250 nan 0.000 0.440 732 E N 0.191 120.321 120.200 -0.116 0.000 2.107 732 E HA -0.169 4.182 4.350 0.001 0.000 0.191 732 E C 1.771 178.387 176.600 0.028 0.000 0.982 732 E CA 0.823 57.203 56.400 -0.034 0.000 0.809 732 E CB -0.351 29.325 29.700 -0.041 0.000 0.756 732 E HN 0.349 nan 8.360 nan 0.000 0.459 733 F N 0.737 120.651 119.950 -0.060 0.000 2.095 733 F HA -0.245 4.283 4.527 0.001 0.000 0.298 733 F C 2.182 177.945 175.800 -0.062 0.000 1.104 733 F CA 1.271 59.239 58.000 -0.054 0.000 1.232 733 F CB -0.288 38.654 39.000 -0.097 0.000 0.987 733 F HN -0.028 nan 8.300 nan 0.000 0.475 734 F N 1.295 121.166 119.950 -0.132 0.000 2.186 734 F HA -0.067 4.461 4.527 0.001 0.000 0.299 734 F C 2.472 178.124 175.800 -0.246 0.000 1.090 734 F CA 1.486 59.347 58.000 -0.231 0.000 1.307 734 F CB -0.581 38.344 39.000 -0.125 0.000 1.019 734 F HN -0.157 nan 8.300 nan 0.000 0.489 735 R N -1.433 118.968 120.500 -0.165 0.000 2.081 735 R HA -0.242 4.099 4.340 0.001 0.000 0.235 735 R C 2.183 178.315 176.300 -0.281 0.000 1.131 735 R CA 1.858 57.821 56.100 -0.228 0.000 0.960 735 R CB -1.029 29.211 30.300 -0.100 0.000 0.856 735 R HN 0.398 nan 8.270 nan 0.000 0.436 736 Y N 1.299 121.394 120.300 -0.343 0.000 2.165 736 Y HA -0.253 4.297 4.550 0.001 0.000 0.286 736 Y C 2.182 177.855 175.900 -0.377 0.000 1.155 736 Y CA 1.794 59.707 58.100 -0.311 0.000 1.164 736 Y CB -0.069 38.146 38.460 -0.409 0.000 0.978 736 Y HN -0.056 nan 8.280 nan 0.000 0.513 737 V N -1.858 117.759 119.914 -0.495 0.000 3.041 737 V HA -0.124 3.997 4.120 0.001 0.000 0.260 737 V C 1.861 177.721 176.094 -0.389 0.000 1.105 737 V CA 1.482 63.535 62.300 -0.413 0.000 1.125 737 V CB -0.742 30.867 31.823 -0.356 0.000 0.730 737 V HN 0.451 nan 8.190 nan 0.000 0.479 738 I N 1.207 121.413 120.570 -0.607 0.000 2.277 738 I HA 0.003 4.174 4.170 0.001 0.000 0.243 738 I C 2.897 178.727 176.117 -0.479 0.000 1.094 738 I CA 1.417 62.322 61.300 -0.659 0.000 1.393 738 I CB -0.537 36.939 38.000 -0.873 0.000 1.078 738 I HN 0.345 nan 8.210 nan 0.000 0.417 739 A N -0.174 122.357 122.820 -0.482 0.000 1.969 739 A HA -0.134 4.187 4.320 0.001 0.000 0.218 739 A C 0.564 177.703 177.584 -0.741 0.000 1.169 739 A CA 1.301 53.001 52.037 -0.562 0.000 0.635 739 A CB -0.679 17.971 19.000 -0.584 0.000 0.810 739 A HN 0.513 nan 8.150 nan 0.000 0.445 740 H N -0.726 118.075 119.070 -0.447 0.000 2.530 740 H HA 0.377 4.934 4.556 0.001 0.000 0.246 740 H C -2.855 172.458 175.328 -0.026 0.000 1.346 740 H CA -2.189 53.693 56.048 -0.277 0.000 1.424 740 H CB 0.174 29.661 29.762 -0.459 0.000 1.445 740 H HN 0.173 nan 8.280 nan 0.000 0.511 741 P HA -0.022 nan 4.420 nan 0.000 0.264 741 P C 0.175 177.552 177.300 0.129 0.000 1.183 741 P CA 0.076 63.215 63.100 0.065 0.000 0.763 741 P CB 0.626 32.325 31.700 -0.002 0.000 0.807 742 A N 6.356 129.227 122.820 0.084 0.000 2.536 742 A HA 0.221 4.542 4.320 0.001 0.000 0.234 742 A C -1.843 175.660 177.584 -0.135 0.000 1.076 742 A CA -0.722 51.147 52.037 -0.279 0.000 0.769 742 A CB -1.399 17.443 19.000 -0.263 0.000 1.020 742 A HN 0.445 nan 8.150 nan 0.000 0.508 743 P HA 0.103 nan 4.420 nan 0.000 0.268 743 P C 0.203 177.593 177.300 0.150 0.000 1.204 743 P CA 0.143 63.248 63.100 0.008 0.000 0.768 743 P CB 0.497 32.202 31.700 0.009 0.000 0.842 744 S N 2.268 118.063 115.700 0.159 0.000 2.580 744 S HA 0.040 4.511 4.470 0.001 0.000 0.266 744 S C 1.434 176.194 174.600 0.268 0.000 1.354 744 S CA -0.304 58.033 58.200 0.228 0.000 1.008 744 S CB 0.624 63.908 63.200 0.139 0.000 0.898 744 S HN 0.493 nan 8.310 nan 0.000 0.555 745 K N 0.664 121.184 120.400 0.199 0.000 2.044 745 K HA -0.181 4.140 4.320 0.001 0.000 0.210 745 K C 2.466 178.984 176.600 -0.136 0.000 1.049 745 K CA 1.780 57.894 56.287 -0.287 0.000 0.927 745 K CB -0.716 31.477 32.500 -0.512 0.000 0.713 745 K HN 0.703 nan 8.250 nan 0.000 0.443 746 S N 0.683 116.362 115.700 -0.035 0.000 2.353 746 S HA -0.233 4.238 4.470 0.001 0.000 0.222 746 S C 1.976 176.583 174.600 0.012 0.000 1.035 746 S CA 2.045 60.236 58.200 -0.014 0.000 1.025 746 S CB -0.317 62.891 63.200 0.013 0.000 0.902 746 S HN 0.333 nan 8.310 nan 0.000 0.440 747 K N 0.759 121.186 120.400 0.045 0.000 2.032 747 K HA -0.001 4.320 4.320 0.001 0.000 0.209 747 K C 1.932 178.574 176.600 0.070 0.000 1.048 747 K CA 1.942 58.263 56.287 0.057 0.000 0.927 747 K CB -0.966 31.577 32.500 0.071 0.000 0.712 747 K HN 0.308 nan 8.250 nan 0.000 0.441 748 V N 1.045 121.019 119.914 0.100 0.000 2.343 748 V HA -0.236 3.885 4.120 0.001 0.000 0.247 748 V C 2.346 178.496 176.094 0.093 0.000 1.051 748 V CA 1.790 64.172 62.300 0.137 0.000 1.036 748 V CB -0.423 31.565 31.823 0.275 0.000 0.654 748 V HN 0.293 nan 8.190 nan 0.000 0.451 749 L N -0.346 120.894 121.223 0.029 0.000 1.970 749 L HA -0.253 4.088 4.340 0.001 0.000 0.212 749 L C 2.628 179.522 176.870 0.040 0.000 1.071 749 L CA 2.018 56.872 54.840 0.024 0.000 0.751 749 L CB -0.658 41.380 42.059 -0.036 0.000 0.889 749 L HN 0.352 nan 8.230 nan 0.000 0.432 750 E N -0.140 120.075 120.200 0.026 0.000 2.114 750 E HA -0.280 4.071 4.350 0.001 0.000 0.199 750 E C 1.571 178.193 176.600 0.036 0.000 1.008 750 E CA 1.751 58.166 56.400 0.025 0.000 0.810 750 E CB -0.094 29.619 29.700 0.021 0.000 0.739 750 E HN 0.490 nan 8.360 nan 0.000 0.456 751 D N -0.298 120.138 120.400 0.060 0.000 2.323 751 D HA -0.015 4.626 4.640 0.001 0.000 0.209 751 D C 0.085 176.460 176.300 0.124 0.000 0.973 751 D CA 0.535 54.583 54.000 0.079 0.000 0.874 751 D CB 0.049 40.905 40.800 0.094 0.000 0.930 751 D HN -0.011 nan 8.370 nan 0.000 0.521 752 T N 1.491 116.129 114.554 0.140 0.000 2.814 752 T HA 0.100 4.451 4.350 0.001 0.000 0.297 752 T C 1.291 176.077 174.700 0.143 0.000 0.956 752 T CA -0.235 61.991 62.100 0.211 0.000 1.123 752 T CB 1.495 70.498 68.868 0.226 0.000 0.902 752 T HN -0.160 nan 8.240 nan 0.000 0.528 753 K N 1.907 122.382 120.400 0.124 0.000 2.308 753 K HA 0.253 4.573 4.320 0.001 0.000 0.197 753 K C 0.338 177.016 176.600 0.131 0.000 1.049 753 K CA 0.381 56.624 56.287 -0.073 0.000 0.991 753 K CB 0.569 32.686 32.500 -0.638 0.000 0.836 753 K HN 0.379 nan 8.250 nan 0.000 0.500 754 V N 1.166 121.285 119.914 0.342 0.000 2.760 754 V HA 0.428 4.548 4.120 0.001 0.000 0.309 754 V C -1.453 174.892 176.094 0.417 0.000 1.077 754 V CA -1.011 61.550 62.300 0.434 0.000 0.910 754 V CB 2.273 34.449 31.823 0.589 0.000 1.008 754 V HN 0.054 nan 8.190 nan 0.000 0.424 755 F N 4.655 124.746 119.950 0.236 0.000 2.536 755 F HA 0.668 5.195 4.527 0.001 0.000 0.322 755 F C -0.384 175.496 175.800 0.134 0.000 1.144 755 F CA -0.523 57.567 58.000 0.151 0.000 0.924 755 F CB 1.260 40.318 39.000 0.096 0.000 1.181 755 F HN 0.350 nan 8.300 nan 0.000 0.438 756 I N 5.137 125.728 120.570 0.035 0.000 2.365 756 I HA 0.164 4.334 4.170 0.001 0.000 0.291 756 I C -0.802 175.360 176.117 0.074 0.000 1.004 756 I CA -0.527 60.749 61.300 -0.039 0.000 1.311 756 I CB 1.152 38.912 38.000 -0.400 0.000 1.401 756 I HN 0.574 nan 8.210 nan 0.000 0.491 757 H N 4.950 124.023 119.070 0.005 0.000 2.638 757 H HA 0.725 5.281 4.556 0.001 0.000 0.317 757 H C -0.313 174.940 175.328 -0.125 0.000 1.006 757 H CA -0.034 56.006 56.048 -0.013 0.000 1.222 757 H CB 0.929 30.715 29.762 0.041 0.000 1.419 757 H HN 0.784 nan 8.280 nan 0.000 0.489 758 G N 3.319 111.742 108.800 -0.628 0.000 2.356 758 G HA2 0.062 4.022 3.960 0.001 0.000 0.300 758 G HA3 0.062 4.022 3.960 0.001 0.000 0.300 758 G C -1.744 172.882 174.900 -0.456 0.000 1.331 758 G CA -1.010 43.760 45.100 -0.549 0.000 0.905 758 G HN 0.505 nan 8.290 nan 0.000 0.587 759 D N 0.296 120.494 120.400 -0.337 0.000 2.347 759 D HA 0.385 5.026 4.640 0.001 0.000 0.235 759 D C 0.664 176.815 176.300 -0.247 0.000 1.149 759 D CA -0.273 53.605 54.000 -0.204 0.000 0.850 759 D CB 0.999 41.725 40.800 -0.123 0.000 1.061 759 D HN 0.318 nan 8.370 nan 0.000 0.487 760 Y N 1.187 121.380 120.300 -0.178 0.000 2.315 760 Y HA -0.237 4.313 4.550 0.001 0.000 0.288 760 Y C 2.567 178.364 175.900 -0.170 0.000 1.154 760 Y CA 1.090 58.997 58.100 -0.322 0.000 1.229 760 Y CB -0.483 37.704 38.460 -0.454 0.000 0.980 760 Y HN 0.358 nan 8.280 nan 0.000 0.540 761 S N -0.556 115.171 115.700 0.046 0.000 2.442 761 S HA -0.201 4.269 4.470 0.001 0.000 0.236 761 S C 1.615 176.214 174.600 -0.002 0.000 1.007 761 S CA 1.417 59.627 58.200 0.015 0.000 0.965 761 S CB -0.466 62.736 63.200 0.004 0.000 0.773 761 S HN 0.482 nan 8.310 nan 0.000 0.504 762 N N 0.793 119.481 118.700 -0.020 0.000 2.236 762 N HA 0.165 4.906 4.740 0.001 0.000 0.196 762 N C 0.264 175.775 175.510 0.002 0.000 1.114 762 N CA 0.134 53.173 53.050 -0.018 0.000 0.859 762 N CB 0.179 38.643 38.487 -0.039 0.000 0.982 762 N HN 0.100 nan 8.380 nan 0.000 0.493 763 K N -0.638 119.776 120.400 0.023 0.000 2.734 763 K HA 0.346 4.667 4.320 0.001 0.000 0.200 763 K C 0.224 176.902 176.600 0.131 0.000 1.120 763 K CA 0.107 56.452 56.287 0.097 0.000 1.067 763 K CB 0.520 33.115 32.500 0.159 0.000 0.771 763 K HN 0.108 nan 8.250 nan 0.000 0.481 764 G N 1.707 110.544 108.800 0.062 0.000 2.141 764 G HA2 -0.324 3.636 3.960 0.001 0.000 0.231 764 G HA3 -0.324 3.636 3.960 0.001 0.000 0.231 764 G C 0.374 175.285 174.900 0.018 0.000 0.984 764 G CA 0.180 45.303 45.100 0.038 0.000 0.660 764 G HN 0.294 nan 8.290 nan 0.000 0.525 765 N N -1.063 117.642 118.700 0.009 0.000 1.188 765 N HA -0.301 4.440 4.740 0.001 0.000 0.128 765 N C 1.883 177.337 175.510 -0.093 0.000 0.759 765 N CA 2.597 55.614 53.050 -0.054 0.000 0.905 765 N CB -1.387 37.070 38.487 -0.049 0.000 1.156 765 N HN 1.305 nan 8.380 nan 0.000 0.553 766 G N 0.647 109.393 108.800 -0.091 0.000 2.462 766 G HA2 -0.259 3.701 3.960 0.001 0.000 0.220 766 G HA3 -0.259 3.701 3.960 0.001 0.000 0.220 766 G C 1.462 176.357 174.900 -0.008 0.000 1.121 766 G CA 1.623 46.685 45.100 -0.063 0.000 0.758 766 G HN 0.582 nan 8.290 nan 0.000 0.559 767 K N -0.594 119.800 120.400 -0.010 0.000 2.211 767 K HA -0.091 4.230 4.320 0.001 0.000 0.204 767 K C 1.981 178.567 176.600 -0.024 0.000 1.047 767 K CA 0.851 57.132 56.287 -0.009 0.000 0.935 767 K CB -0.283 32.209 32.500 -0.013 0.000 0.728 767 K HN 0.397 nan 8.250 nan 0.000 0.452 768 F N 0.255 120.076 119.950 -0.215 0.000 2.161 768 F HA -0.207 4.320 4.527 0.001 0.000 0.300 768 F C 1.313 176.813 175.800 -0.498 0.000 1.089 768 F CA 1.461 59.232 58.000 -0.383 0.000 1.282 768 F CB 0.074 38.754 39.000 -0.534 0.000 1.010 768 F HN -0.092 nan 8.300 nan 0.000 0.485 769 F N -0.618 119.388 119.950 0.092 0.000 2.749 769 F HA 0.211 4.739 4.527 0.001 0.000 0.300 769 F C 0.632 176.426 175.800 -0.010 0.000 1.103 769 F CA -0.338 57.682 58.000 0.033 0.000 1.342 769 F CB -0.677 38.363 39.000 0.067 0.000 1.098 769 F HN -0.422 nan 8.300 nan 0.000 0.586 770 V N 1.493 121.463 119.914 0.093 0.000 2.585 770 V HA -0.020 4.101 4.120 0.001 0.000 0.296 770 V C 0.692 176.805 176.094 0.032 0.000 1.035 770 V CA 0.223 62.553 62.300 0.051 0.000 1.084 770 V CB -0.068 31.763 31.823 0.014 0.000 0.953 770 V HN 0.604 nan 8.190 nan 0.000 0.483 771 N N 1.410 120.134 118.700 0.040 0.000 2.863 771 N HA -0.190 4.550 4.740 0.001 0.000 0.245 771 N C 0.495 176.042 175.510 0.062 0.000 1.001 771 N CA 0.708 53.780 53.050 0.037 0.000 0.901 771 N CB -0.750 37.745 38.487 0.015 0.000 1.124 771 N HN 0.479 nan 8.380 nan 0.000 0.582 772 V N 0.148 120.127 119.914 0.108 0.000 2.635 772 V HA 0.093 4.213 4.120 0.001 0.000 0.233 772 V C 1.365 177.634 176.094 0.293 0.000 1.097 772 V CA 1.782 64.185 62.300 0.172 0.000 1.134 772 V CB 0.021 31.936 31.823 0.152 0.000 0.841 772 V HN 0.569 nan 8.190 nan 0.000 0.496 773 N N 0.151 119.033 118.700 0.303 0.000 2.167 773 N HA 0.065 4.806 4.740 0.001 0.000 0.234 773 N C -0.071 175.578 175.510 0.233 0.000 1.312 773 N CA 0.453 53.675 53.050 0.287 0.000 0.861 773 N CB 0.198 38.890 38.487 0.342 0.000 1.217 773 N HN 0.551 nan 8.380 nan 0.000 0.504 774 T N -2.398 112.235 114.554 0.133 0.000 2.908 774 T HA 0.377 4.728 4.350 0.001 0.000 0.290 774 T C 0.116 174.798 174.700 -0.029 0.000 1.034 774 T CA -0.601 61.498 62.100 -0.002 0.000 1.010 774 T CB 2.071 70.912 68.868 -0.046 0.000 1.068 774 T HN 0.037 nan 8.240 nan 0.000 0.481 775 D N 0.424 120.784 120.400 -0.066 0.000 2.339 775 D HA 0.059 4.700 4.640 0.001 0.000 0.217 775 D C 0.661 176.981 176.300 0.033 0.000 1.050 775 D CA -0.154 53.840 54.000 -0.010 0.000 0.856 775 D CB 0.259 41.094 40.800 0.060 0.000 0.922 775 D HN 0.874 nan 8.370 nan 0.000 0.518 776 R N -1.746 118.761 120.500 0.012 0.000 2.728 776 R HA 0.237 4.578 4.340 0.001 0.000 0.274 776 R C -0.085 176.206 176.300 -0.015 0.000 1.032 776 R CA -0.762 55.342 56.100 0.007 0.000 0.866 776 R CB 0.374 30.684 30.300 0.017 0.000 1.263 776 R HN -0.181 nan 8.270 nan 0.000 0.475 777 E N 0.416 120.604 120.200 -0.020 0.000 2.152 777 E HA -0.070 4.281 4.350 0.001 0.000 0.192 777 E C -0.097 176.472 176.600 -0.051 0.000 0.983 777 E CA 0.985 57.365 56.400 -0.033 0.000 0.818 777 E CB 0.320 30.002 29.700 -0.030 0.000 0.758 777 E HN 0.493 nan 8.360 nan 0.000 0.467 778 Q N 0.763 120.535 119.800 -0.047 0.000 2.771 778 Q HA 0.186 4.526 4.340 0.001 0.000 0.239 778 Q C -1.069 174.900 176.000 -0.053 0.000 1.231 778 Q CA -0.118 55.652 55.803 -0.055 0.000 1.056 778 Q CB 1.467 30.172 28.738 -0.056 0.000 1.284 778 Q HN -0.076 nan 8.270 nan 0.000 0.558 779 T N 0.113 114.622 114.554 -0.075 0.000 3.012 779 T HA 0.384 4.734 4.350 0.001 0.000 0.330 779 T C -2.535 172.075 174.700 -0.149 0.000 1.321 779 T CA -1.463 60.592 62.100 -0.075 0.000 1.067 779 T CB 1.575 70.414 68.868 -0.048 0.000 1.235 779 T HN 0.118 nan 8.240 nan 0.000 0.479 780 P HA 0.354 nan 4.420 nan 0.000 0.268 780 P C -0.189 176.948 177.300 -0.271 0.000 1.329 780 P CA -0.101 62.879 63.100 -0.201 0.000 0.899 780 P CB 0.244 31.898 31.700 -0.076 0.000 1.378 781 L N -0.757 120.313 121.223 -0.256 0.000 2.304 781 L HA 0.500 4.841 4.340 0.001 0.000 0.268 781 L C -0.080 176.546 176.870 -0.407 0.000 1.010 781 L CA -1.360 53.369 54.840 -0.185 0.000 0.813 781 L CB 0.913 43.007 42.059 0.057 0.000 1.315 781 L HN -0.186 nan 8.230 nan 0.000 0.445 782 Y N -0.123 120.227 120.300 0.083 0.000 2.549 782 Y HA 0.327 4.878 4.550 0.001 0.000 0.339 782 Y C 0.858 176.796 175.900 0.063 0.000 1.053 782 Y CA -0.858 57.254 58.100 0.018 0.000 1.105 782 Y CB 1.889 40.352 38.460 0.006 0.000 1.258 782 Y HN 0.535 nan 8.280 nan 0.000 0.478 783 M N -0.799 118.821 119.600 0.033 0.000 2.414 783 M HA 0.332 4.813 4.480 0.001 0.000 0.251 783 M C -0.222 176.100 176.300 0.036 0.000 1.116 783 M CA 0.567 55.578 55.300 -0.481 0.000 1.056 783 M CB 0.988 33.011 32.600 -0.961 0.000 1.388 783 M HN 0.530 nan 8.290 nan 0.000 0.487 784 T N -0.324 114.373 114.554 0.240 0.000 2.923 784 T HA 0.597 4.948 4.350 0.001 0.000 0.311 784 T C 0.286 175.046 174.700 0.099 0.000 1.183 784 T CA -0.221 61.968 62.100 0.149 0.000 1.020 784 T CB 1.907 70.758 68.868 -0.029 0.000 1.165 784 T HN 0.268 nan 8.240 nan 0.000 0.482 785 G N 1.950 110.608 108.800 -0.237 0.000 3.189 785 G HA2 0.095 4.056 3.960 0.001 0.000 0.225 785 G HA3 0.095 4.056 3.960 0.001 0.000 0.225 785 G C 1.204 176.001 174.900 -0.171 0.000 1.159 785 G CA 0.004 44.954 45.100 -0.249 0.000 0.763 785 G HN 0.760 nan 8.290 nan 0.000 0.549 786 R N -0.286 120.050 120.500 -0.274 0.000 2.103 786 R HA -0.165 4.176 4.340 0.001 0.000 0.242 786 R C 0.997 176.976 176.300 -0.536 0.000 1.142 786 R CA 1.549 57.380 56.100 -0.449 0.000 0.960 786 R CB -0.184 29.646 30.300 -0.783 0.000 0.858 786 R HN 0.469 nan 8.270 nan 0.000 0.439 787 Y N 1.242 121.377 120.300 -0.274 0.000 2.485 787 Y HA 0.158 4.709 4.550 0.001 0.000 0.260 787 Y C 0.774 176.392 175.900 -0.470 0.000 1.173 787 Y CA -0.284 57.394 58.100 -0.704 0.000 1.252 787 Y CB -0.807 37.289 38.460 -0.605 0.000 1.123 787 Y HN 0.254 nan 8.280 nan 0.000 0.524 788 N N -0.275 118.320 118.700 -0.176 0.000 1.099 788 N HA -0.301 4.440 4.740 0.001 0.000 0.125 788 N C -0.384 174.966 175.510 -0.267 0.000 0.649 788 N CA 1.252 54.219 53.050 -0.138 0.000 0.865 788 N CB -1.046 37.413 38.487 -0.046 0.000 1.240 788 N HN 0.034 nan 8.380 nan 0.000 0.580 789 V N 1.041 120.808 119.914 -0.245 0.000 2.347 789 V HA 0.413 4.533 4.120 0.001 0.000 0.280 789 V C 0.454 176.423 176.094 -0.209 0.000 1.021 789 V CA -0.549 61.550 62.300 -0.335 0.000 0.847 789 V CB 0.804 32.458 31.823 -0.282 0.000 0.990 789 V HN 0.359 nan 8.190 nan 0.000 0.444 790 I N 9.223 129.655 120.570 -0.230 0.000 2.505 790 I HA 0.177 4.348 4.170 0.001 0.000 0.287 790 I C -1.774 174.256 176.117 -0.144 0.000 1.104 790 I CA -1.214 60.035 61.300 -0.085 0.000 1.387 790 I CB 0.931 38.976 38.000 0.076 0.000 1.404 790 I HN 0.437 nan 8.210 nan 0.000 0.528 791 P HA 0.338 nan 4.420 nan 0.000 0.275 791 P C -1.003 175.868 177.300 -0.714 0.000 1.228 791 P CA -0.260 62.560 63.100 -0.467 0.000 0.786 791 P CB 1.579 32.955 31.700 -0.541 0.000 0.927 792 A N 2.737 125.213 122.820 -0.573 0.000 2.594 792 A HA 0.819 5.140 4.320 0.001 0.000 0.291 792 A C -0.679 176.835 177.584 -0.115 0.000 1.105 792 A CA -0.809 50.972 52.037 -0.427 0.000 0.694 792 A CB 1.235 20.066 19.000 -0.281 0.000 1.291 792 A HN 0.593 nan 8.150 nan 0.000 0.410 793 I N -1.827 118.756 120.570 0.022 0.000 2.828 793 I HA 0.712 4.883 4.170 0.001 0.000 0.302 793 I C -2.968 173.001 176.117 -0.248 0.000 1.101 793 I CA -2.994 58.252 61.300 -0.090 0.000 1.031 793 I CB 2.254 40.217 38.000 -0.063 0.000 1.231 793 I HN 0.238 nan 8.210 nan 0.000 0.427 794 P HA 0.057 nan 4.420 nan 0.000 0.266 794 P C 1.006 178.054 177.300 -0.422 0.000 1.193 794 P CA 0.207 62.986 63.100 -0.535 0.000 0.770 794 P CB 0.721 32.071 31.700 -0.584 0.000 0.836 795 G N 1.561 110.089 108.800 -0.452 0.000 2.485 795 G HA2 -0.263 3.697 3.960 0.001 0.000 0.221 795 G HA3 -0.263 3.697 3.960 0.001 0.000 0.221 795 G C 1.454 176.273 174.900 -0.136 0.000 1.115 795 G CA 0.638 45.446 45.100 -0.488 0.000 0.751 795 G HN 0.495 nan 8.290 nan 0.000 0.567 796 V N 0.201 120.060 119.914 -0.092 0.000 2.809 796 V HA 0.232 4.353 4.120 0.001 0.000 0.256 796 V C 1.352 177.468 176.094 0.037 0.000 1.080 796 V CA 0.490 62.792 62.300 0.004 0.000 1.102 796 V CB -0.204 31.638 31.823 0.031 0.000 0.705 796 V HN 0.239 nan 8.190 nan 0.000 0.475 797 L N 0.447 121.668 121.223 -0.003 0.000 2.421 797 L HA 0.367 4.708 4.340 0.001 0.000 0.263 797 L C 0.261 177.187 176.870 0.093 0.000 1.122 797 L CA -0.229 54.595 54.840 -0.027 0.000 0.804 797 L CB 0.755 42.617 42.059 -0.328 0.000 1.150 797 L HN 0.004 nan 8.230 nan 0.000 0.457 798 K N 0.376 120.782 120.400 0.011 0.000 2.110 798 K HA 0.602 4.923 4.320 0.001 0.000 0.263 798 K C -0.471 176.063 176.600 -0.110 0.000 0.975 798 K CA -0.358 55.884 56.287 -0.074 0.000 0.895 798 K CB 1.853 34.328 32.500 -0.042 0.000 1.060 798 K HN 0.551 nan 8.250 nan 0.000 0.448 814 Q N 5.688 125.565 119.800 0.128 0.000 2.296 814 Q HA 0.499 4.840 4.340 0.001 0.000 0.263 814 Q C -0.608 175.528 176.000 0.226 0.000 1.026 814 Q CA -0.106 55.797 55.803 0.168 0.000 0.912 814 Q CB 1.494 30.370 28.738 0.230 0.000 1.198 814 Q HN 0.445 nan 8.270 nan 0.000 0.407 815 I N 3.955 124.618 120.570 0.155 0.000 2.352 815 I HA 0.211 4.382 4.170 0.001 0.000 0.290 815 I C 0.008 176.242 176.117 0.195 0.000 1.036 815 I CA -0.294 61.114 61.300 0.181 0.000 1.336 815 I CB 0.454 38.476 38.000 0.036 0.000 1.407 815 I HN 0.262 nan 8.210 nan 0.000 0.497 816 K N 6.000 126.576 120.400 0.292 0.000 2.443 816 K HA 0.372 4.692 4.320 0.001 0.000 0.252 816 K C -0.670 176.122 176.600 0.320 0.000 0.933 816 K CA -0.884 55.582 56.287 0.299 0.000 0.792 816 K CB 2.110 34.879 32.500 0.449 0.000 1.185 816 K HN 0.386 nan 8.250 nan 0.000 0.425 817 E N 2.459 122.798 120.200 0.230 0.000 2.384 817 E HA -0.007 4.344 4.350 0.001 0.000 0.266 817 E C 1.111 177.844 176.600 0.221 0.000 1.012 817 E CA 0.025 56.536 56.400 0.186 0.000 0.901 817 E CB 1.028 30.806 29.700 0.129 0.000 0.967 817 E HN 0.573 nan 8.360 nan 0.000 0.435 818 I N 2.397 122.985 120.570 0.028 0.000 2.567 818 I HA -0.260 3.911 4.170 0.001 0.000 0.257 818 I C 1.738 177.937 176.117 0.136 0.000 1.184 818 I CA 1.435 62.707 61.300 -0.047 0.000 1.451 818 I CB 0.152 37.933 38.000 -0.366 0.000 1.089 818 I HN 0.484 nan 8.210 nan 0.000 0.441 819 T N -2.025 112.581 114.554 0.087 0.000 3.148 819 T HA 0.095 4.446 4.350 0.001 0.000 0.253 819 T C 0.931 175.676 174.700 0.074 0.000 1.134 819 T CA 0.224 62.367 62.100 0.070 0.000 1.051 819 T CB -0.668 68.215 68.868 0.026 0.000 0.959 819 T HN 0.418 nan 8.240 nan 0.000 0.525 820 S N 1.725 117.488 115.700 0.105 0.000 2.593 820 S HA 0.277 4.747 4.470 0.001 0.000 0.269 820 S C -1.683 172.881 174.600 -0.061 0.000 1.334 820 S CA -1.131 57.069 58.200 -0.001 0.000 1.015 820 S CB 1.021 64.183 63.200 -0.064 0.000 0.912 820 S HN -0.036 nan 8.310 nan 0.000 0.541 821 P HA -0.120 nan 4.420 nan 0.000 0.216 821 P C 0.929 178.107 177.300 -0.204 0.000 1.150 821 P CA 1.363 64.391 63.100 -0.121 0.000 0.843 821 P CB -0.043 31.589 31.700 -0.113 0.000 0.787 822 E N -1.935 118.022 120.200 -0.405 0.000 2.204 822 E HA -0.097 4.253 4.350 0.001 0.000 0.194 822 E C 0.870 177.119 176.600 -0.585 0.000 0.989 822 E CA 0.931 56.952 56.400 -0.630 0.000 0.824 822 E CB -0.596 28.340 29.700 -1.273 0.000 0.756 822 E HN 0.339 nan 8.360 nan 0.000 0.477 823 F N -0.425 119.446 119.950 -0.132 0.000 2.639 823 F HA 0.190 4.717 4.527 0.001 0.000 0.302 823 F C 1.744 177.479 175.800 -0.109 0.000 1.097 823 F CA -0.117 57.829 58.000 -0.090 0.000 1.294 823 F CB -0.079 38.979 39.000 0.096 0.000 1.027 823 F HN -0.051 nan 8.300 nan 0.000 0.550 824 S N -1.095 114.617 115.700 0.020 0.000 2.428 824 S HA 0.029 4.500 4.470 0.001 0.000 0.230 824 S C 0.865 175.443 174.600 -0.037 0.000 1.014 824 S CA 0.600 58.803 58.200 0.005 0.000 0.957 824 S CB -0.377 62.812 63.200 -0.019 0.000 0.784 824 S HN 0.246 nan 8.310 nan 0.000 0.499 825 S N -1.214 114.439 115.700 -0.079 0.000 2.638 825 S HA 0.494 4.965 4.470 0.001 0.000 0.274 825 S C 0.598 175.105 174.600 -0.155 0.000 1.157 825 S CA -0.188 57.950 58.200 -0.104 0.000 0.826 825 S CB 0.858 64.018 63.200 -0.067 0.000 1.139 825 S HN 0.028 nan 8.310 nan 0.000 0.474 826 T N 1.587 116.048 114.554 -0.156 0.000 2.624 826 T HA -0.208 4.143 4.350 0.001 0.000 0.268 826 T C 1.775 176.418 174.700 -0.094 0.000 1.041 826 T CA 2.216 64.227 62.100 -0.149 0.000 1.159 826 T CB -0.653 68.155 68.868 -0.100 0.000 0.863 826 T HN 0.652 nan 8.240 nan 0.000 0.434 827 Q N 0.269 120.031 119.800 -0.063 0.000 2.030 827 Q HA -0.105 4.236 4.340 0.001 0.000 0.204 827 Q C 2.797 178.777 176.000 -0.033 0.000 0.986 827 Q CA 1.556 57.338 55.803 -0.036 0.000 0.843 827 Q CB -0.373 28.349 28.738 -0.028 0.000 0.904 827 Q HN 0.592 nan 8.270 nan 0.000 0.420 828 A N 1.097 123.888 122.820 -0.047 0.000 1.908 828 A HA -0.225 4.096 4.320 0.001 0.000 0.218 828 A C 1.999 179.566 177.584 -0.029 0.000 1.181 828 A CA 1.453 53.464 52.037 -0.045 0.000 0.627 828 A CB -0.458 18.499 19.000 -0.072 0.000 0.818 828 A HN 0.252 nan 8.150 nan 0.000 0.445 829 R N -0.333 120.139 120.500 -0.047 0.000 2.083 829 R HA -0.133 4.207 4.340 0.001 0.000 0.237 829 R C 2.301 178.613 176.300 0.021 0.000 1.137 829 R CA 1.806 57.910 56.100 0.008 0.000 0.951 829 R CB -0.304 29.922 30.300 -0.123 0.000 0.851 829 R HN 0.491 nan 8.270 nan 0.000 0.434 830 K N 0.628 121.017 120.400 -0.019 0.000 2.026 830 K HA -0.174 4.147 4.320 0.001 0.000 0.208 830 K C 2.059 178.686 176.600 0.044 0.000 1.048 830 K CA 1.552 57.842 56.287 0.005 0.000 0.929 830 K CB -0.032 32.489 32.500 0.035 0.000 0.713 830 K HN 0.285 nan 8.250 nan 0.000 0.439 831 E N -0.282 119.943 120.200 0.043 0.000 2.077 831 E HA -0.228 4.123 4.350 0.001 0.000 0.193 831 E C 1.906 178.548 176.600 0.070 0.000 0.989 831 E CA 1.253 57.683 56.400 0.050 0.000 0.800 831 E CB -0.185 29.535 29.700 0.034 0.000 0.746 831 E HN 0.309 nan 8.360 nan 0.000 0.452 832 Y N 1.477 121.750 120.300 -0.046 0.000 2.114 832 Y HA -0.198 4.353 4.550 0.001 0.000 0.284 832 Y C 1.955 177.871 175.900 0.027 0.000 1.143 832 Y CA 1.465 59.532 58.100 -0.055 0.000 1.135 832 Y CB -0.314 38.045 38.460 -0.168 0.000 0.980 832 Y HN -0.075 nan 8.280 nan 0.000 0.499 833 L N 0.182 121.369 121.223 -0.059 0.000 2.083 833 L HA -0.244 4.096 4.340 0.001 0.000 0.209 833 L C 2.088 179.054 176.870 0.159 0.000 1.083 833 L CA 1.378 56.203 54.840 -0.025 0.000 0.752 833 L CB -0.701 41.221 42.059 -0.228 0.000 0.899 833 L HN 0.234 nan 8.230 nan 0.000 0.433 834 N N 0.389 119.181 118.700 0.153 0.000 2.289 834 N HA -0.159 4.582 4.740 0.001 0.000 0.184 834 N C 1.642 177.205 175.510 0.088 0.000 1.016 834 N CA 1.100 54.267 53.050 0.195 0.000 0.872 834 N CB -0.095 38.477 38.487 0.141 0.000 0.973 834 N HN 0.358 nan 8.380 nan 0.000 0.433 835 K N -0.040 120.359 120.400 -0.003 0.000 2.288 835 K HA 0.084 4.405 4.320 0.001 0.000 0.201 835 K C 1.503 178.051 176.600 -0.086 0.000 1.048 835 K CA 0.555 56.814 56.287 -0.047 0.000 0.956 835 K CB 0.191 32.647 32.500 -0.073 0.000 0.746 835 K HN 0.188 nan 8.250 nan 0.000 0.461 836 L N -0.890 120.261 121.223 -0.120 0.000 2.470 836 L HA 0.096 4.437 4.340 0.001 0.000 0.219 836 L C -0.026 176.673 176.870 -0.285 0.000 1.071 836 L CA 0.093 54.794 54.840 -0.233 0.000 0.850 836 L CB 0.368 42.209 42.059 -0.362 0.000 1.040 836 L HN 0.027 nan 8.230 nan 0.000 0.475 837 Y N 1.210 121.542 120.300 0.053 0.000 2.447 837 Y HA 0.349 4.900 4.550 0.001 0.000 0.325 837 Y C -2.206 173.723 175.900 0.047 0.000 0.976 837 Y CA -2.978 55.175 58.100 0.088 0.000 1.280 837 Y CB 0.728 39.325 38.460 0.229 0.000 1.104 837 Y HN -0.133 nan 8.280 nan 0.000 0.486 838 P HA 0.025 nan 4.420 nan 0.000 0.272 838 P C -0.114 177.211 177.300 0.042 0.000 1.223 838 P CA -0.383 62.755 63.100 0.064 0.000 0.784 838 P CB 1.002 32.723 31.700 0.036 0.000 0.923 839 M N 3.588 123.187 119.600 -0.001 0.000 2.268 839 M HA -0.020 4.461 4.480 0.001 0.000 0.349 839 M C 0.818 177.111 176.300 -0.011 0.000 1.485 839 M CA 0.332 55.594 55.300 -0.063 0.000 1.094 839 M CB 0.019 32.562 32.600 -0.095 0.000 1.843 839 M HN 0.309 nan 8.290 nan 0.000 0.460 840 N N 4.776 123.503 118.700 0.044 0.000 2.197 840 N HA 0.098 4.839 4.740 0.001 0.000 0.228 840 N C -1.209 174.503 175.510 0.336 0.000 1.212 840 N CA -0.151 53.018 53.050 0.199 0.000 0.883 840 N CB 0.209 38.846 38.487 0.250 0.000 1.107 840 N HN 0.715 nan 8.380 nan 0.000 0.519 841 Y N -2.084 118.196 120.300 -0.034 0.000 2.713 841 Y HA 0.650 5.200 4.550 0.001 0.000 0.335 841 Y C -1.570 174.222 175.900 -0.181 0.000 1.222 841 Y CA -1.241 56.736 58.100 -0.206 0.000 1.061 841 Y CB 0.696 38.867 38.460 -0.482 0.000 1.314 841 Y HN -0.149 nan 8.280 nan 0.000 0.453 842 E N 0.592 120.717 120.200 -0.124 0.000 2.244 842 E HA 0.689 5.040 4.350 0.001 0.000 0.266 842 E C -0.843 175.705 176.600 -0.087 0.000 0.914 842 E CA -0.889 55.400 56.400 -0.185 0.000 0.794 842 E CB 2.205 31.832 29.700 -0.121 0.000 1.210 842 E HN 1.240 nan 8.360 nan 0.000 0.414 843 G N 1.755 110.491 108.800 -0.107 0.000 2.640 843 G HA2 -0.115 3.846 3.960 0.001 0.000 0.686 843 G HA3 -0.115 3.846 3.960 0.001 0.000 0.686 843 G C -1.361 173.560 174.900 0.035 0.000 1.229 843 G CA -0.960 44.127 45.100 -0.022 0.000 0.796 843 G HN 0.574 nan 8.290 nan 0.000 0.654 844 D N 0.619 121.056 120.400 0.062 0.000 2.483 844 D HA 0.594 5.235 4.640 0.001 0.000 0.220 844 D C 0.336 176.773 176.300 0.229 0.000 1.173 844 D CA 0.207 54.300 54.000 0.156 0.000 0.964 844 D CB -0.213 40.661 40.800 0.124 0.000 1.046 844 D HN 0.763 nan 8.370 nan 0.000 0.517 845 I N 2.137 122.916 120.570 0.349 0.000 2.842 845 I HA 0.257 4.427 4.170 0.001 0.000 0.296 845 I C -1.589 174.771 176.117 0.406 0.000 1.538 845 I CA -1.159 60.339 61.300 0.331 0.000 0.994 845 I CB 1.310 39.353 38.000 0.071 0.000 1.372 845 I HN 0.026 nan 8.210 nan 0.000 0.478 846 F N 6.499 126.606 119.950 0.261 0.000 2.467 846 F HA 0.730 5.258 4.527 0.001 0.000 0.362 846 F C -0.104 175.569 175.800 -0.212 0.000 1.090 846 F CA 0.175 58.167 58.000 -0.014 0.000 1.202 846 F CB 0.744 39.486 39.000 -0.430 0.000 1.113 846 F HN 0.450 nan 8.300 nan 0.000 0.541 847 A N 6.127 128.189 122.820 -1.262 0.000 2.549 847 A HA 0.626 4.947 4.320 0.001 0.000 0.297 847 A C -1.518 175.507 177.584 -0.931 0.000 1.061 847 A CA -0.691 50.668 52.037 -1.131 0.000 0.690 847 A CB 1.755 19.925 19.000 -1.384 0.000 1.287 847 A HN 0.758 nan 8.150 nan 0.000 0.402 848 Q N 0.819 120.446 119.800 -0.289 0.000 2.315 848 Q HA 0.491 4.831 4.340 0.001 0.000 0.273 848 Q C -1.467 174.499 176.000 -0.056 0.000 1.053 848 Q CA -0.576 55.161 55.803 -0.109 0.000 0.817 848 Q CB 2.011 30.706 28.738 -0.071 0.000 1.326 848 Q HN 0.710 nan 8.270 nan 0.000 0.423 849 K N 3.778 123.883 120.400 -0.492 0.000 2.159 849 K HA 0.561 4.881 4.320 0.001 0.000 0.266 849 K C -1.383 175.064 176.600 -0.255 0.000 0.975 849 K CA -0.449 55.388 56.287 -0.750 0.000 0.865 849 K CB 0.889 32.507 32.500 -1.470 0.000 1.087 849 K HN 0.598 nan 8.250 nan 0.000 0.446 850 L N 5.468 126.667 121.223 -0.040 0.000 2.406 850 L HA 0.203 4.544 4.340 0.001 0.000 0.272 850 L C 0.190 177.101 176.870 0.069 0.000 0.980 850 L CA -0.469 54.403 54.840 0.053 0.000 0.831 850 L CB 1.564 43.728 42.059 0.175 0.000 1.253 850 L HN 1.079 nan 8.230 nan 0.000 0.406 851 D N 2.497 122.913 120.400 0.027 0.000 3.740 851 D HA -0.382 4.259 4.640 0.001 0.000 0.147 851 D C 0.240 176.567 176.300 0.045 0.000 0.885 851 D CA 1.951 55.979 54.000 0.046 0.000 1.051 851 D CB -0.261 40.588 40.800 0.082 0.000 0.480 851 D HN 0.694 nan 8.370 nan 0.000 0.469 852 N N 0.626 119.388 118.700 0.104 0.000 2.295 852 N HA 0.192 4.933 4.740 0.001 0.000 0.221 852 N C -0.346 175.325 175.510 0.268 0.000 1.129 852 N CA -0.100 53.057 53.050 0.178 0.000 0.836 852 N CB 0.319 38.894 38.487 0.146 0.000 1.040 852 N HN 0.184 nan 8.380 nan 0.000 0.494 853 R N -0.092 120.507 120.500 0.164 0.000 2.437 853 R HA 0.282 4.623 4.340 0.001 0.000 0.310 853 R C -1.332 174.990 176.300 0.036 0.000 0.955 853 R CA -0.625 55.567 56.100 0.154 0.000 0.851 853 R CB 1.372 31.704 30.300 0.054 0.000 1.161 853 R HN 0.166 nan 8.270 nan 0.000 0.446 854 W N 3.334 124.728 121.300 0.156 0.000 2.361 854 W HA 0.349 5.009 4.660 0.001 0.000 0.309 854 W C -0.568 175.988 176.519 0.062 0.000 1.122 854 W CA -0.329 57.065 57.345 0.081 0.000 1.208 854 W CB 0.841 30.261 29.460 -0.066 0.000 1.246 854 W HN 0.419 nan 8.180 nan 0.000 0.490 855 F N 3.670 123.868 119.950 0.413 0.000 2.427 855 F HA 0.584 5.112 4.527 0.001 0.000 0.346 855 F C 0.004 176.031 175.800 0.379 0.000 1.120 855 F CA -0.953 57.278 58.000 0.385 0.000 1.033 855 F CB 0.951 40.162 39.000 0.352 0.000 1.126 855 F HN -0.186 nan 8.300 nan 0.000 0.462 856 V N 3.969 124.252 119.914 0.614 0.000 2.760 856 V HA 0.538 4.658 4.120 0.001 0.000 0.309 856 V C -1.218 175.334 176.094 0.764 0.000 1.077 856 V CA -0.995 61.567 62.300 0.436 0.000 0.910 856 V CB 1.954 33.868 31.823 0.151 0.000 1.008 856 V HN 0.612 nan 8.190 nan 0.000 0.424 857 Y N 1.493 122.201 120.300 0.679 0.000 2.597 857 Y HA 0.613 5.164 4.550 0.001 0.000 0.340 857 Y C -0.775 175.452 175.900 0.545 0.000 1.097 857 Y CA -1.781 56.737 58.100 0.696 0.000 1.037 857 Y CB 1.334 40.142 38.460 0.581 0.000 1.305 857 Y HN 0.550 nan 8.280 nan 0.000 0.463 858 N N 1.776 120.955 118.700 0.798 0.000 2.458 858 N HA 0.018 4.759 4.740 0.001 0.000 0.270 858 N C -0.161 175.639 175.510 0.483 0.000 1.102 858 N CA -0.200 53.122 53.050 0.452 0.000 0.967 858 N CB 0.515 39.183 38.487 0.301 0.000 1.078 858 N HN 0.892 nan 8.380 nan 0.000 0.471 859 Y N 2.009 122.575 120.300 0.445 0.000 2.466 859 Y HA 0.386 4.937 4.550 0.001 0.000 0.272 859 Y C 0.219 176.248 175.900 0.216 0.000 1.169 859 Y CA -0.627 57.718 58.100 0.409 0.000 1.285 859 Y CB 0.014 38.727 38.460 0.423 0.000 1.078 859 Y HN 0.097 nan 8.280 nan 0.000 0.523 860 K N 1.241 121.633 120.400 -0.014 0.000 2.382 860 K HA 0.111 4.431 4.320 0.001 0.000 0.275 860 K C 0.753 177.430 176.600 0.128 0.000 1.009 860 K CA 0.158 56.469 56.287 0.039 0.000 0.970 860 K CB 2.365 34.837 32.500 -0.047 0.000 0.934 860 K HN 0.195 nan 8.250 nan 0.000 0.479 861 V N 1.663 121.697 119.914 0.201 0.000 2.490 861 V HA -0.046 4.074 4.120 0.001 0.000 0.238 861 V C 1.215 177.555 176.094 0.409 0.000 1.056 861 V CA 1.097 63.569 62.300 0.287 0.000 1.075 861 V CB -0.183 31.741 31.823 0.168 0.000 0.746 861 V HN 0.846 nan 8.190 nan 0.000 0.479 862 N N 0.312 119.176 118.700 0.273 0.000 2.536 862 N HA 0.182 4.923 4.740 0.001 0.000 0.286 862 N C -1.013 174.745 175.510 0.413 0.000 1.577 862 N CA 0.001 53.218 53.050 0.279 0.000 0.883 862 N CB 0.524 39.010 38.487 -0.002 0.000 1.390 862 N HN 0.363 nan 8.380 nan 0.000 0.491 863 E N 0.240 120.706 120.200 0.443 0.000 2.275 863 E HA 0.201 4.551 4.350 0.001 0.000 0.270 863 E C -1.108 175.477 176.600 -0.025 0.000 0.882 863 E CA -0.707 55.819 56.400 0.209 0.000 0.758 863 E CB 1.187 30.932 29.700 0.075 0.000 1.195 863 E HN 0.034 nan 8.360 nan 0.000 0.419 864 N N 2.430 120.814 118.700 -0.526 0.000 2.968 864 N HA 0.199 4.939 4.740 0.001 0.000 0.271 864 N C -1.614 173.664 175.510 -0.386 0.000 1.174 864 N CA -0.055 52.453 53.050 -0.904 0.000 1.096 864 N CB 0.176 37.782 38.487 -1.468 0.000 1.403 864 N HN 0.211 nan 8.380 nan 0.000 0.522 865 V N 2.914 122.695 119.914 -0.221 0.000 2.525 865 V HA 0.307 4.427 4.120 0.001 0.000 0.299 865 V C 0.173 176.210 176.094 -0.096 0.000 1.034 865 V CA -1.035 61.183 62.300 -0.137 0.000 0.863 865 V CB 1.860 33.619 31.823 -0.107 0.000 0.999 865 V HN 0.317 nan 8.190 nan 0.000 0.423 866 K N 3.374 123.736 120.400 -0.064 0.000 2.295 866 K HA 0.503 4.824 4.320 0.001 0.000 0.270 866 K C -0.445 176.142 176.600 -0.020 0.000 1.011 866 K CA -0.311 55.967 56.287 -0.015 0.000 0.953 866 K CB 0.785 33.286 32.500 0.002 0.000 0.956 866 K HN 0.627 nan 8.250 nan 0.000 0.477 867 Q N 0.477 120.285 119.800 0.013 0.000 2.397 867 Q HA 0.345 4.686 4.340 0.001 0.000 0.275 867 Q C -1.012 174.978 176.000 -0.016 0.000 1.090 867 Q CA -0.858 54.936 55.803 -0.015 0.000 0.809 867 Q CB 2.578 31.291 28.738 -0.043 0.000 1.362 867 Q HN 0.748 nan 8.270 nan 0.000 0.431 868 T N -2.121 112.408 114.554 -0.043 0.000 2.900 868 T HA 0.891 5.242 4.350 0.001 0.000 0.295 868 T C -0.323 174.319 174.700 -0.097 0.000 1.044 868 T CA -0.786 61.266 62.100 -0.080 0.000 0.995 868 T CB 1.970 70.805 68.868 -0.055 0.000 1.072 868 T HN 0.700 nan 8.240 nan 0.000 0.473 869 G N 0.824 109.525 108.800 -0.165 0.000 2.718 869 G HA2 0.599 4.559 3.960 0.001 0.000 0.295 869 G HA3 0.599 4.559 3.960 0.001 0.000 0.295 869 G C -1.868 172.893 174.900 -0.230 0.000 1.421 869 G CA -0.973 44.026 45.100 -0.169 0.000 0.902 869 G HN 0.815 nan 8.290 nan 0.000 0.501 870 K N 1.491 121.768 120.400 -0.206 0.000 2.358 870 K HA 0.591 4.912 4.320 0.001 0.000 0.260 870 K C -1.069 175.310 176.600 -0.369 0.000 0.956 870 K CA -0.716 55.423 56.287 -0.247 0.000 0.834 870 K CB 1.039 33.447 32.500 -0.154 0.000 1.102 870 K HN 0.230 nan 8.250 nan 0.000 0.431 871 L N 3.121 124.012 121.223 -0.554 0.000 2.354 871 L HA 0.565 4.906 4.340 0.001 0.000 0.269 871 L C -0.402 176.132 176.870 -0.561 0.000 1.005 871 L CA -0.816 53.452 54.840 -0.954 0.000 0.819 871 L CB 1.524 42.581 42.059 -1.670 0.000 1.311 871 L HN 0.662 nan 8.230 nan 0.000 0.423 872 K N 1.692 121.877 120.400 -0.358 0.000 2.371 872 K HA 0.609 4.930 4.320 0.001 0.000 0.251 872 K C -1.479 175.131 176.600 0.016 0.000 0.934 872 K CA -0.358 55.896 56.287 -0.055 0.000 0.798 872 K CB 2.230 34.754 32.500 0.041 0.000 1.204 872 K HN 0.240 nan 8.250 nan 0.000 0.427 873 F N 2.928 123.021 119.950 0.239 0.000 2.363 873 F HA 0.230 4.758 4.527 0.001 0.000 0.366 873 F C 0.479 176.366 175.800 0.145 0.000 1.083 873 F CA -0.710 57.423 58.000 0.222 0.000 1.176 873 F CB 0.078 39.205 39.000 0.212 0.000 1.432 873 F HN 0.694 nan 8.300 nan 0.000 0.482 874 N N 0.498 119.346 118.700 0.247 0.000 1.099 874 N HA -0.383 4.358 4.740 0.001 0.000 0.125 874 N C 1.424 177.039 175.510 0.175 0.000 0.649 874 N CA 2.380 55.529 53.050 0.166 0.000 0.865 874 N CB -0.844 37.731 38.487 0.146 0.000 1.240 874 N HN 0.500 nan 8.380 nan 0.000 0.580 875 S N -1.116 114.677 115.700 0.154 0.000 2.503 875 S HA 0.225 4.695 4.470 0.001 0.000 0.217 875 S C 0.469 175.142 174.600 0.121 0.000 0.999 875 S CA -0.208 58.056 58.200 0.106 0.000 0.914 875 S CB 0.095 63.342 63.200 0.079 0.000 0.782 875 S HN 0.448 nan 8.310 nan 0.000 0.520 876 L N 3.103 124.436 121.223 0.183 0.000 2.462 876 L HA 0.369 4.709 4.340 0.001 0.000 0.272 876 L C 0.023 177.026 176.870 0.221 0.000 1.166 876 L CA 0.355 55.318 54.840 0.205 0.000 0.880 876 L CB 0.427 42.648 42.059 0.272 0.000 1.142 876 L HN 0.318 nan 8.230 nan 0.000 0.473 877 E N 6.167 126.439 120.200 0.120 0.000 2.171 877 E HA 0.379 4.730 4.350 0.001 0.000 0.271 877 E C -1.266 175.348 176.600 0.024 0.000 0.916 877 E CA -0.711 55.720 56.400 0.051 0.000 0.774 877 E CB 1.368 31.072 29.700 0.007 0.000 1.128 877 E HN 0.733 nan 8.360 nan 0.000 0.403 878 M N 5.376 124.949 119.600 -0.044 0.000 2.134 878 M HA 0.384 4.864 4.480 0.001 0.000 0.310 878 M C -1.651 174.516 176.300 -0.223 0.000 0.966 878 M CA -0.545 54.694 55.300 -0.102 0.000 0.922 878 M CB 1.031 33.597 32.600 -0.056 0.000 1.537 878 M HN 0.398 nan 8.290 nan 0.000 0.424 879 N N 4.377 122.974 118.700 -0.172 0.000 2.430 879 N HA 0.579 5.320 4.740 0.001 0.000 0.292 879 N C -0.974 174.422 175.510 -0.190 0.000 1.051 879 N CA -0.337 52.603 53.050 -0.183 0.000 0.917 879 N CB 2.442 40.861 38.487 -0.112 0.000 1.164 879 N HN 0.560 nan 8.380 nan 0.000 0.484 880 V N -0.924 118.845 119.914 -0.241 0.000 3.001 880 V HA 0.626 4.747 4.120 0.001 0.000 0.314 880 V C -0.508 175.514 176.094 -0.121 0.000 1.099 880 V CA -0.872 61.310 62.300 -0.198 0.000 0.989 880 V CB 2.266 33.834 31.823 -0.426 0.000 1.040 880 V HN 0.712 nan 8.190 nan 0.000 0.434 881 E N 2.118 122.354 120.200 0.059 0.000 2.244 881 E HA 0.583 4.934 4.350 0.001 0.000 0.260 881 E C -2.195 174.636 176.600 0.385 0.000 0.884 881 E CA -0.556 55.915 56.400 0.118 0.000 0.777 881 E CB 1.514 31.263 29.700 0.082 0.000 1.197 881 E HN 0.633 nan 8.360 nan 0.000 0.416 882 F N 2.173 122.152 119.950 0.047 0.000 2.495 882 F HA 0.381 4.909 4.527 0.001 0.000 0.327 882 F C 0.682 176.508 175.800 0.043 0.000 1.103 882 F CA -1.136 56.909 58.000 0.075 0.000 0.949 882 F CB 1.693 40.765 39.000 0.120 0.000 1.142 882 F HN 0.443 nan 8.300 nan 0.000 0.457 883 E N 3.492 123.800 120.200 0.180 0.000 2.369 883 E HA 0.239 4.590 4.350 0.001 0.000 0.255 883 E C -2.287 174.361 176.600 0.081 0.000 1.172 883 E CA -1.605 54.850 56.400 0.091 0.000 0.932 883 E CB 0.342 30.079 29.700 0.063 0.000 1.040 883 E HN 0.205 nan 8.360 nan 0.000 0.454 884 P HA -0.071 nan 4.420 nan 0.000 0.269 884 P C -1.217 175.997 177.300 -0.144 0.000 1.211 884 P CA 0.619 63.613 63.100 -0.176 0.000 0.781 884 P CB 0.136 31.662 31.700 -0.290 0.000 0.877 885 H N -2.168 117.006 119.070 0.174 0.000 2.819 885 H HA -0.105 4.452 4.556 0.001 0.000 0.315 885 H C -0.716 174.667 175.328 0.092 0.000 1.242 885 H CA 0.443 56.566 56.048 0.125 0.000 1.157 885 H CB -2.643 27.169 29.762 0.083 0.000 1.451 885 H HN 0.261 nan 8.280 nan 0.000 0.430 886 T N 0.915 115.566 114.554 0.162 0.000 2.991 886 T HA 0.494 4.845 4.350 0.001 0.000 0.303 886 T C -0.583 174.223 174.700 0.177 0.000 1.015 886 T CA -0.928 61.157 62.100 -0.026 0.000 1.007 886 T CB 1.242 69.937 68.868 -0.288 0.000 1.034 886 T HN 0.390 nan 8.240 nan 0.000 0.446 887 Y N 0.083 120.429 120.300 0.076 0.000 2.536 887 Y HA 0.936 5.487 4.550 0.001 0.000 0.347 887 Y C -0.059 175.949 175.900 0.181 0.000 1.000 887 Y CA -1.402 56.897 58.100 0.331 0.000 1.051 887 Y CB 1.544 40.221 38.460 0.361 0.000 1.259 887 Y HN 0.823 nan 8.280 nan 0.000 0.468 888 G N 1.752 110.882 108.800 0.551 0.000 2.612 888 G HA2 0.687 4.647 3.960 0.001 0.000 0.298 888 G HA3 0.687 4.647 3.960 0.001 0.000 0.298 888 G C -2.002 172.801 174.900 -0.162 0.000 1.336 888 G CA -1.164 43.971 45.100 0.058 0.000 0.953 888 G HN 0.745 nan 8.290 nan 0.000 0.482 889 I N 0.516 120.655 120.570 -0.719 0.000 2.468 889 I HA 0.388 4.559 4.170 0.001 0.000 0.285 889 I C -1.351 174.274 176.117 -0.820 0.000 1.039 889 I CA -0.513 60.348 61.300 -0.731 0.000 1.074 889 I CB 1.977 39.477 38.000 -0.833 0.000 1.228 889 I HN 0.237 nan 8.210 nan 0.000 0.436 890 F N 4.355 124.259 119.950 -0.077 0.000 2.427 890 F HA 0.433 4.961 4.527 0.001 0.000 0.348 890 F C 0.250 176.145 175.800 0.159 0.000 1.125 890 F CA -0.597 57.460 58.000 0.096 0.000 0.989 890 F CB 1.504 40.691 39.000 0.312 0.000 1.165 890 F HN 0.411 nan 8.300 nan 0.000 0.442 891 E N 3.141 123.417 120.200 0.127 0.000 2.155 891 E HA 0.395 4.745 4.350 0.001 0.000 0.264 891 E C -0.621 175.930 176.600 -0.081 0.000 0.886 891 E CA -1.208 55.232 56.400 0.067 0.000 0.752 891 E CB 1.012 30.713 29.700 0.003 0.000 1.133 891 E HN 0.474 nan 8.360 nan 0.000 0.414 892 R N 4.799 125.184 120.500 -0.193 0.000 2.404 892 R HA 0.210 4.551 4.340 0.001 0.000 0.315 892 R C -0.338 175.884 176.300 -0.131 0.000 1.032 892 R CA 0.220 56.132 56.100 -0.314 0.000 0.992 892 R CB -0.182 29.904 30.300 -0.357 0.000 0.959 892 R HN 0.544 nan 8.270 nan 0.000 0.428 893 I N 0.694 121.167 120.570 -0.161 0.000 3.023 893 I HA 0.444 4.615 4.170 0.001 0.000 0.312 893 I C 1.064 177.075 176.117 -0.176 0.000 1.056 893 I CA -0.754 60.466 61.300 -0.133 0.000 1.033 893 I CB 2.233 40.161 38.000 -0.120 0.000 1.233 893 I HN 0.625 nan 8.210 nan 0.000 0.462 894 S N 1.374 116.982 115.700 -0.153 0.000 2.382 894 S HA -0.195 4.276 4.470 0.001 0.000 0.228 894 S C 1.135 175.597 174.600 -0.230 0.000 1.027 894 S CA 1.410 59.517 58.200 -0.155 0.000 0.991 894 S CB -0.857 62.270 63.200 -0.122 0.000 0.823 894 S HN 0.904 nan 8.310 nan 0.000 0.469 895 N N 1.672 120.186 118.700 -0.310 0.000 2.276 895 N HA 0.429 5.169 4.740 0.001 0.000 0.212 895 N C 0.775 175.945 175.510 -0.566 0.000 1.127 895 N CA 0.447 53.248 53.050 -0.415 0.000 0.834 895 N CB 0.327 38.495 38.487 -0.532 0.000 1.014 895 N HN 0.615 nan 8.380 nan 0.000 0.491 896 G N -0.287 108.104 108.800 -0.680 0.000 2.272 896 G HA2 0.177 4.138 3.960 0.001 0.000 0.068 896 G HA3 0.177 4.138 3.960 0.001 0.000 0.068 896 G C -2.109 172.442 174.900 -0.580 0.000 1.073 896 G CA -0.370 43.973 45.100 -1.263 0.000 1.154 896 G HN 0.314 nan 8.290 nan 0.000 0.429 897 L N 0.335 121.444 121.223 -0.189 0.000 2.470 897 L HA 0.833 5.173 4.340 0.001 0.000 0.268 897 L C -0.708 176.174 176.870 0.021 0.000 0.964 897 L CA -0.701 54.138 54.840 -0.001 0.000 0.839 897 L CB 2.050 44.245 42.059 0.228 0.000 1.276 897 L HN 0.756 nan 8.230 nan 0.000 0.403 898 K N 3.321 123.698 120.400 -0.039 0.000 2.172 898 K HA 0.761 5.081 4.320 0.001 0.000 0.276 898 K C -1.635 174.852 176.600 -0.189 0.000 1.013 898 K CA -0.320 55.912 56.287 -0.092 0.000 0.913 898 K CB 1.470 33.935 32.500 -0.059 0.000 1.055 898 K HN 0.380 nan 8.250 nan 0.000 0.461 899 V N 5.125 124.790 119.914 -0.415 0.000 2.531 899 V HA 0.446 4.567 4.120 0.001 0.000 0.301 899 V C -0.754 174.971 176.094 -0.615 0.000 1.034 899 V CA -0.959 60.963 62.300 -0.631 0.000 0.865 899 V CB 1.834 33.058 31.823 -0.998 0.000 0.995 899 V HN 0.844 nan 8.190 nan 0.000 0.424 900 N N 3.772 122.127 118.700 -0.575 0.000 2.314 900 N HA 0.704 5.445 4.740 0.001 0.000 0.294 900 N C -1.560 173.673 175.510 -0.462 0.000 1.029 900 N CA -0.488 52.305 53.050 -0.428 0.000 0.845 900 N CB 3.016 41.295 38.487 -0.345 0.000 1.321 900 N HN 0.489 nan 8.380 nan 0.000 0.481 901 L N 2.510 123.521 121.223 -0.354 0.000 2.436 901 L HA 0.493 4.834 4.340 0.001 0.000 0.268 901 L C -1.344 175.291 176.870 -0.391 0.000 0.974 901 L CA -0.489 54.140 54.840 -0.352 0.000 0.826 901 L CB 1.798 43.727 42.059 -0.216 0.000 1.291 901 L HN 0.455 nan 8.230 nan 0.000 0.406 902 N N 3.092 121.413 118.700 -0.633 0.000 2.410 902 N HA 0.399 5.140 4.740 0.001 0.000 0.287 902 N C -1.129 174.092 175.510 -0.482 0.000 1.044 902 N CA -0.262 52.430 53.050 -0.596 0.000 0.881 902 N CB 1.517 39.498 38.487 -0.844 0.000 1.405 902 N HN 0.763 nan 8.380 nan 0.000 0.490 903 N N 3.297 121.888 118.700 -0.181 0.000 2.377 903 N HA 0.061 4.802 4.740 0.001 0.000 0.259 903 N C -0.679 174.886 175.510 0.092 0.000 1.332 903 N CA -0.449 52.568 53.050 -0.054 0.000 0.877 903 N CB -0.586 37.858 38.487 -0.073 0.000 1.299 903 N HN 0.232 nan 8.380 nan 0.000 0.501 904 F N 2.546 122.475 119.950 -0.035 0.000 2.571 904 F HA 0.296 4.824 4.527 0.001 0.000 0.384 904 F C 0.463 176.301 175.800 0.062 0.000 1.058 904 F CA -0.228 57.790 58.000 0.031 0.000 1.200 904 F CB 0.390 39.408 39.000 0.030 0.000 1.077 904 F HN 0.171 nan 8.300 nan 0.000 0.558 905 R N 4.722 124.960 120.500 -0.436 0.000 2.549 905 R HA 0.251 4.591 4.340 0.001 0.000 0.291 905 R C -0.911 175.161 176.300 -0.380 0.000 1.164 905 R CA -0.371 55.505 56.100 -0.373 0.000 0.973 905 R CB 0.941 31.163 30.300 -0.130 0.000 1.210 905 R HN 0.786 nan 8.270 nan 0.000 0.422 906 T N 0.354 114.659 114.554 -0.415 0.000 2.824 906 T HA 0.266 4.616 4.350 0.001 0.000 0.277 906 T C 0.199 174.836 174.700 -0.105 0.000 0.975 906 T CA -0.748 61.225 62.100 -0.211 0.000 0.966 906 T CB 1.091 69.879 68.868 -0.134 0.000 1.054 906 T HN 0.436 nan 8.240 nan 0.000 0.533 907 N N 0.747 119.424 118.700 -0.039 0.000 2.414 907 N HA 0.220 4.961 4.740 0.001 0.000 0.256 907 N C 0.301 175.802 175.510 -0.017 0.000 1.029 907 N CA -0.575 52.460 53.050 -0.024 0.000 0.948 907 N CB 0.799 39.294 38.487 0.013 0.000 1.102 907 N HN 0.476 nan 8.380 nan 0.000 0.496 908 K N 2.182 122.538 120.400 -0.073 0.000 2.387 908 K HA 0.081 4.402 4.320 0.001 0.000 0.198 908 K C 0.062 176.640 176.600 -0.036 0.000 1.022 908 K CA -0.082 56.136 56.287 -0.115 0.000 1.128 908 K CB 0.537 32.892 32.500 -0.242 0.000 0.853 908 K HN 0.501 nan 8.250 nan 0.000 0.523 909 D N 1.158 121.566 120.400 0.014 0.000 2.182 909 D HA -0.145 4.496 4.640 0.001 0.000 0.201 909 D C 1.802 178.127 176.300 0.040 0.000 0.986 909 D CA 1.452 55.495 54.000 0.071 0.000 0.847 909 D CB -0.002 40.823 40.800 0.042 0.000 0.942 909 D HN 0.207 nan 8.370 nan 0.000 0.467 910 S N 0.138 115.828 115.700 -0.016 0.000 2.419 910 S HA -0.123 4.347 4.470 0.001 0.000 0.235 910 S C 2.143 176.634 174.600 -0.182 0.000 1.019 910 S CA 0.535 58.704 58.200 -0.052 0.000 0.982 910 S CB -0.648 62.544 63.200 -0.013 0.000 0.789 910 S HN 0.277 nan 8.310 nan 0.000 0.490 911 L N -1.363 119.628 121.223 -0.387 0.000 2.201 911 L HA 0.049 4.390 4.340 0.001 0.000 0.212 911 L C 1.731 178.116 176.870 -0.808 0.000 1.105 911 L CA 1.023 55.385 54.840 -0.797 0.000 0.775 911 L CB -0.395 40.926 42.059 -1.228 0.000 0.913 911 L HN 0.435 nan 8.230 nan 0.000 0.440 912 W N -1.183 120.054 121.300 -0.105 0.000 3.123 912 W HA 0.226 4.886 4.660 0.001 0.000 0.383 912 W C 1.116 177.670 176.519 0.059 0.000 1.102 912 W CA -0.576 56.789 57.345 0.033 0.000 1.865 912 W CB 0.042 29.573 29.460 0.119 0.000 1.111 912 W HN -0.197 nan 8.180 nan 0.000 0.621 913 S N 2.263 118.027 115.700 0.106 0.000 2.554 913 S HA -0.118 4.353 4.470 0.001 0.000 0.290 913 S C 0.898 175.550 174.600 0.086 0.000 1.309 913 S CA 0.556 58.802 58.200 0.077 0.000 1.047 913 S CB 0.087 63.289 63.200 0.004 0.000 0.828 913 S HN 0.468 nan 8.310 nan 0.000 0.509 914 N N -1.128 117.624 118.700 0.086 0.000 2.979 914 N HA -0.172 4.569 4.740 0.001 0.000 0.234 914 N C -0.521 175.039 175.510 0.083 0.000 0.938 914 N CA 1.177 54.265 53.050 0.063 0.000 0.961 914 N CB -1.412 37.092 38.487 0.028 0.000 1.089 914 N HN 0.719 nan 8.380 nan 0.000 0.576 915 A N 0.487 123.399 122.820 0.153 0.000 2.410 915 A HA 0.558 4.878 4.320 0.001 0.000 0.289 915 A C 0.911 178.635 177.584 0.233 0.000 1.200 915 A CA -0.238 51.886 52.037 0.145 0.000 0.751 915 A CB 1.252 20.350 19.000 0.163 0.000 1.161 915 A HN 0.160 nan 8.150 nan 0.000 0.459 916 Q N 1.651 121.542 119.800 0.152 0.000 2.424 916 Q HA 0.079 4.419 4.340 0.001 0.000 0.204 916 Q C 0.098 176.247 176.000 0.250 0.000 0.933 916 Q CA 1.579 57.498 55.803 0.192 0.000 0.929 916 Q CB 0.254 29.057 28.738 0.110 0.000 1.037 916 Q HN 0.824 nan 8.270 nan 0.000 0.511 917 D N -2.831 117.636 120.400 0.113 0.000 2.664 917 D HA 0.346 4.987 4.640 0.001 0.000 0.292 917 D C 0.100 176.115 176.300 -0.475 0.000 1.214 917 D CA -0.188 53.833 54.000 0.035 0.000 0.932 917 D CB 0.166 40.981 40.800 0.025 0.000 1.420 917 D HN -0.075 nan 8.370 nan 0.000 0.471 918 A N 0.119 122.660 122.820 -0.465 0.000 1.933 918 A HA -0.223 4.098 4.320 0.001 0.000 0.218 918 A C 1.812 179.083 177.584 -0.522 0.000 1.175 918 A CA 1.768 53.318 52.037 -0.812 0.000 0.628 918 A CB -1.083 17.674 19.000 -0.405 0.000 0.814 918 A HN 0.703 nan 8.150 nan 0.000 0.444 919 N N -0.469 118.058 118.700 -0.288 0.000 2.069 919 N HA -0.229 4.511 4.740 0.001 0.000 0.191 919 N C 1.940 177.338 175.510 -0.186 0.000 1.031 919 N CA 1.858 54.794 53.050 -0.189 0.000 0.852 919 N CB -0.151 38.267 38.487 -0.114 0.000 1.018 919 N HN 0.691 nan 8.380 nan 0.000 0.423 920 Q N 0.087 119.771 119.800 -0.193 0.000 2.119 920 Q HA -0.027 4.314 4.340 0.001 0.000 0.201 920 Q C 2.195 178.099 176.000 -0.159 0.000 0.972 920 Q CA 1.365 57.084 55.803 -0.138 0.000 0.847 920 Q CB -0.107 28.580 28.738 -0.084 0.000 0.903 920 Q HN 0.425 nan 8.270 nan 0.000 0.433 921 A N 1.709 124.329 122.820 -0.333 0.000 1.902 921 A HA -0.223 4.097 4.320 0.001 0.000 0.217 921 A C 2.015 179.541 177.584 -0.096 0.000 1.181 921 A CA 1.544 53.434 52.037 -0.244 0.000 0.623 921 A CB -0.464 18.041 19.000 -0.825 0.000 0.818 921 A HN 0.204 nan 8.150 nan 0.000 0.443 922 K N -0.194 120.089 120.400 -0.195 0.000 2.211 922 K HA -0.151 4.169 4.320 0.001 0.000 0.204 922 K C 1.361 177.938 176.600 -0.038 0.000 1.047 922 K CA 1.660 57.894 56.287 -0.089 0.000 0.935 922 K CB -0.108 32.318 32.500 -0.124 0.000 0.728 922 K HN 0.456 nan 8.250 nan 0.000 0.452 923 K N 0.273 120.642 120.400 -0.051 0.000 2.358 923 K HA 0.173 4.493 4.320 0.001 0.000 0.197 923 K C 0.101 176.687 176.600 -0.023 0.000 1.025 923 K CA -0.298 55.969 56.287 -0.033 0.000 1.104 923 K CB 0.314 32.789 32.500 -0.041 0.000 0.855 923 K HN 0.067 nan 8.250 nan 0.000 0.531 924 L N 3.314 124.527 121.223 -0.016 0.000 2.516 924 L HA 0.002 4.343 4.340 0.001 0.000 0.288 924 L C -1.885 174.962 176.870 -0.038 0.000 1.246 924 L CA -1.425 53.400 54.840 -0.025 0.000 0.844 924 L CB -0.252 41.791 42.059 -0.027 0.000 1.106 924 L HN -0.035 nan 8.230 nan 0.000 0.509 925 P HA -0.013 nan 4.420 nan 0.000 0.268 925 P C -1.008 176.248 177.300 -0.073 0.000 1.205 925 P CA -0.321 62.749 63.100 -0.049 0.000 0.771 925 P CB 0.403 32.074 31.700 -0.047 0.000 0.858 926 Q N 1.674 121.442 119.800 -0.054 0.000 2.315 926 Q HA -0.019 4.322 4.340 0.001 0.000 0.289 926 Q C 1.062 176.997 176.000 -0.109 0.000 1.044 926 Q CA -0.059 55.703 55.803 -0.070 0.000 0.920 926 Q CB 0.558 29.279 28.738 -0.029 0.000 1.214 926 Q HN 0.418 nan 8.270 nan 0.000 0.392 927 L N 3.128 124.243 121.223 -0.180 0.000 2.156 927 L HA -0.129 4.212 4.340 0.001 0.000 0.208 927 L C 0.444 177.236 176.870 -0.130 0.000 1.095 927 L CA 2.134 56.847 54.840 -0.212 0.000 0.770 927 L CB -0.491 41.339 42.059 -0.381 0.000 0.914 927 L HN 1.094 nan 8.230 nan 0.000 0.439 928 T N -4.474 110.021 114.554 -0.098 0.000 0.541 928 T HA -0.302 4.049 4.350 0.001 0.000 0.774 928 T C 0.750 175.448 174.700 -0.004 0.000 0.992 928 T CA 0.873 62.956 62.100 -0.029 0.000 4.077 928 T CB -1.048 67.819 68.868 -0.002 0.000 2.303 928 T HN 0.555 nan 8.240 nan 0.000 0.398 929 K N 1.318 121.740 120.400 0.037 0.000 2.001 929 K HA -0.032 4.288 4.320 0.001 0.000 0.208 929 K C 2.373 179.022 176.600 0.081 0.000 1.048 929 K CA 1.607 57.939 56.287 0.075 0.000 0.932 929 K CB -0.286 32.174 32.500 -0.066 0.000 0.715 929 K HN 0.664 nan 8.250 nan 0.000 0.437 930 K N -0.267 120.177 120.400 0.072 0.000 2.097 930 K HA -0.097 4.224 4.320 0.001 0.000 0.206 930 K C 2.170 178.842 176.600 0.121 0.000 1.049 930 K CA 1.333 57.710 56.287 0.151 0.000 0.933 930 K CB -0.247 32.357 32.500 0.173 0.000 0.717 930 K HN 0.392 nan 8.250 nan 0.000 0.442 931 G N 1.056 109.895 108.800 0.064 0.000 2.408 931 G HA2 -0.240 3.721 3.960 0.001 0.000 0.217 931 G HA3 -0.240 3.721 3.960 0.001 0.000 0.217 931 G C 1.597 176.516 174.900 0.032 0.000 1.150 931 G CA 0.889 46.011 45.100 0.037 0.000 0.776 931 G HN 0.351 nan 8.290 nan 0.000 0.542 932 A N 0.619 123.418 122.820 -0.035 0.000 1.929 932 A HA 0.154 4.474 4.320 0.001 0.000 0.216 932 A C 2.365 180.009 177.584 0.100 0.000 1.176 932 A CA 0.975 52.934 52.037 -0.130 0.000 0.628 932 A CB -0.293 18.427 19.000 -0.466 0.000 0.816 932 A HN 0.355 nan 8.150 nan 0.000 0.444 933 I N -0.343 120.339 120.570 0.187 0.000 2.208 933 I HA -0.285 3.886 4.170 0.001 0.000 0.245 933 I C 2.545 178.775 176.117 0.188 0.000 1.097 933 I CA 1.889 63.330 61.300 0.235 0.000 1.363 933 I CB -0.186 37.981 38.000 0.279 0.000 1.051 933 I HN 0.364 nan 8.210 nan 0.000 0.413 934 K N 0.165 120.661 120.400 0.161 0.000 2.097 934 K HA -0.253 4.068 4.320 0.001 0.000 0.205 934 K C 2.157 178.824 176.600 0.113 0.000 1.050 934 K CA 1.519 57.876 56.287 0.117 0.000 0.938 934 K CB -0.263 32.300 32.500 0.103 0.000 0.718 934 K HN 0.335 nan 8.250 nan 0.000 0.442 935 W N 1.546 122.842 121.300 -0.006 0.000 2.358 935 W HA -0.163 4.498 4.660 0.001 0.000 0.303 935 W C 1.519 178.056 176.519 0.029 0.000 1.208 935 W CA 1.554 58.911 57.345 0.020 0.000 1.274 935 W CB -0.151 29.238 29.460 -0.119 0.000 1.138 935 W HN -0.009 nan 8.180 nan 0.000 0.515 936 I N 0.605 121.302 120.570 0.211 0.000 2.127 936 I HA -0.342 3.828 4.170 0.001 0.000 0.241 936 I C 2.349 178.457 176.117 -0.014 0.000 1.075 936 I CA 2.006 63.381 61.300 0.125 0.000 1.334 936 I CB -0.723 37.428 38.000 0.253 0.000 1.040 936 I HN 0.036 nan 8.210 nan 0.000 0.405 937 E N 0.356 120.558 120.200 0.003 0.000 2.070 937 E HA -0.246 4.105 4.350 0.001 0.000 0.197 937 E C 1.971 178.469 176.600 -0.170 0.000 1.004 937 E CA 1.307 57.681 56.400 -0.042 0.000 0.805 937 E CB -0.024 29.672 29.700 -0.007 0.000 0.744 937 E HN 0.439 nan 8.360 nan 0.000 0.451 938 E N -0.833 119.183 120.200 -0.308 0.000 2.364 938 E HA 0.006 4.357 4.350 0.001 0.000 0.196 938 E C 1.223 177.334 176.600 -0.816 0.000 0.990 938 E CA 0.655 56.732 56.400 -0.538 0.000 0.886 938 E CB 0.469 29.783 29.700 -0.643 0.000 0.866 938 E HN 0.404 nan 8.360 nan 0.000 0.493 939 H N -2.464 116.261 119.070 -0.574 0.000 3.398 939 H HA 0.135 4.692 4.556 0.001 0.000 0.260 939 H C 0.482 175.328 175.328 -0.803 0.000 1.189 939 H CA -0.007 55.570 56.048 -0.786 0.000 1.145 939 H CB 0.747 29.757 29.762 -1.253 0.000 1.599 939 H HN 0.087 nan 8.280 nan 0.000 0.615 940 Y N 0.545 120.438 120.300 -0.678 0.000 2.769 940 Y HA 0.140 4.691 4.550 0.001 0.000 0.266 940 Y C 1.993 177.767 175.900 -0.210 0.000 1.091 940 Y CA 0.037 57.877 58.100 -0.433 0.000 1.272 940 Y CB 0.125 38.406 38.460 -0.299 0.000 1.469 940 Y HN -0.134 nan 8.280 nan 0.000 0.475 941 I N 1.975 122.488 120.570 -0.096 0.000 2.264 941 I HA -0.194 3.976 4.170 0.001 0.000 0.248 941 I C 0.595 176.627 176.117 -0.141 0.000 1.111 941 I CA 1.625 62.870 61.300 -0.093 0.000 1.382 941 I CB -1.283 36.710 38.000 -0.011 0.000 1.060 941 I HN 0.268 nan 8.210 nan 0.000 0.418 942 K N -0.393 119.902 120.400 -0.176 0.000 2.466 942 K HA 0.262 4.583 4.320 0.001 0.000 0.260 942 K C -0.702 175.782 176.600 -0.193 0.000 1.011 942 K CA -0.618 55.576 56.287 -0.154 0.000 0.871 942 K CB 2.006 34.436 32.500 -0.117 0.000 1.404 942 K HN -0.213 nan 8.250 nan 0.000 0.450 943 D N 0.452 120.776 120.400 -0.127 0.000 2.751 943 D HA -0.163 4.477 4.640 0.001 0.000 0.233 943 D C -0.378 175.833 176.300 -0.149 0.000 1.149 943 D CA 1.739 55.681 54.000 -0.097 0.000 0.682 943 D CB -1.440 39.311 40.800 -0.082 0.000 1.068 943 D HN 0.750 nan 8.370 nan 0.000 0.429 944 T N -0.287 114.103 114.554 -0.274 0.000 2.919 944 T HA 0.115 4.465 4.350 0.001 0.000 0.302 944 T C 0.446 174.895 174.700 -0.419 0.000 1.031 944 T CA -0.257 61.552 62.100 -0.485 0.000 1.127 944 T CB 0.853 69.207 68.868 -0.856 0.000 0.952 944 T HN -0.079 nan 8.240 nan 0.000 0.540 945 Q N 4.307 123.946 119.800 -0.268 0.000 2.566 945 Q HA 0.242 4.582 4.340 0.001 0.000 0.221 945 Q C -0.578 175.364 176.000 -0.097 0.000 1.195 945 Q CA -0.110 55.635 55.803 -0.096 0.000 0.967 945 Q CB -0.271 28.463 28.738 -0.006 0.000 1.337 945 Q HN 0.642 nan 8.270 nan 0.000 0.553 946 F N 0.297 120.259 119.950 0.021 0.000 2.496 946 F HA 0.231 4.759 4.527 0.001 0.000 0.344 946 F C 1.682 177.483 175.800 0.002 0.000 1.155 946 F CA 0.342 58.353 58.000 0.018 0.000 1.302 946 F CB 0.468 39.499 39.000 0.051 0.000 1.159 946 F HN 0.383 nan 8.300 nan 0.000 0.595 947 G N 1.064 109.970 108.800 0.177 0.000 2.651 947 G HA2 0.233 4.194 3.960 0.001 0.000 0.260 947 G HA3 0.233 4.194 3.960 0.001 0.000 0.260 947 G C -0.519 174.454 174.900 0.122 0.000 1.216 947 G CA -0.713 44.447 45.100 0.100 0.000 0.913 947 G HN 0.445 nan 8.290 nan 0.000 0.535 948 E N 0.256 120.508 120.200 0.087 0.000 2.366 948 E HA 0.136 4.487 4.350 0.001 0.000 0.266 948 E C 0.328 176.969 176.600 0.068 0.000 1.051 948 E CA -0.171 56.272 56.400 0.071 0.000 0.884 948 E CB 0.985 30.720 29.700 0.057 0.000 1.006 948 E HN 0.323 nan 8.360 nan 0.000 0.417 949 K N 2.537 122.968 120.400 0.052 0.000 2.527 949 K HA -0.027 4.294 4.320 0.001 0.000 0.278 949 K C 0.618 177.248 176.600 0.050 0.000 0.981 949 K CA 0.627 56.944 56.287 0.051 0.000 1.009 949 K CB 0.409 32.929 32.500 0.033 0.000 0.895 949 K HN 0.468 nan 8.250 nan 0.000 0.493 950 R N -0.005 120.526 120.500 0.053 0.000 2.808 950 R HA 0.476 4.816 4.340 0.001 0.000 0.272 950 R C -1.156 175.170 176.300 0.043 0.000 0.995 950 R CA -0.984 55.144 56.100 0.048 0.000 0.917 950 R CB 0.776 31.109 30.300 0.055 0.000 1.217 950 R HN 0.180 nan 8.270 nan 0.000 0.471 951 V N 1.302 121.241 119.914 0.043 0.000 2.465 951 V HA 0.348 4.468 4.120 0.001 0.000 0.279 951 V C -0.105 176.026 176.094 0.062 0.000 1.045 951 V CA -0.207 62.122 62.300 0.049 0.000 0.938 951 V CB 1.629 33.479 31.823 0.045 0.000 0.986 951 V HN 0.815 nan 8.190 nan 0.000 0.467 952 T N 5.510 120.110 114.554 0.076 0.000 2.829 952 T HA 0.496 4.847 4.350 0.001 0.000 0.280 952 T C -0.502 174.290 174.700 0.154 0.000 0.999 952 T CA -0.791 61.386 62.100 0.127 0.000 0.983 952 T CB 1.216 70.135 68.868 0.084 0.000 0.968 952 T HN 0.570 nan 8.240 nan 0.000 0.446 953 K N 2.767 123.275 120.400 0.181 0.000 2.270 953 K HA 0.669 4.990 4.320 0.001 0.000 0.255 953 K C -0.991 175.694 176.600 0.142 0.000 0.936 953 K CA -0.728 55.639 56.287 0.134 0.000 0.809 953 K CB 2.194 34.744 32.500 0.084 0.000 1.131 953 K HN 0.478 nan 8.250 nan 0.000 0.427 954 I N 2.331 122.973 120.570 0.119 0.000 2.478 954 I HA 0.261 4.431 4.170 0.001 0.000 0.287 954 I C -0.854 175.287 176.117 0.041 0.000 1.042 954 I CA -1.141 60.204 61.300 0.075 0.000 1.067 954 I CB 2.122 40.209 38.000 0.144 0.000 1.233 954 I HN 0.167 nan 8.210 nan 0.000 0.431 955 V N 7.192 127.102 119.914 -0.008 0.000 2.409 955 V HA 0.458 4.579 4.120 0.001 0.000 0.291 955 V C -0.120 175.959 176.094 -0.025 0.000 1.020 955 V CA -0.492 61.802 62.300 -0.009 0.000 0.848 955 V CB 1.808 33.619 31.823 -0.019 0.000 0.990 955 V HN 0.471 nan 8.190 nan 0.000 0.430 956 L N 5.958 127.169 121.223 -0.019 0.000 2.296 956 L HA 0.658 4.998 4.340 0.001 0.000 0.286 956 L C 0.122 176.975 176.870 -0.029 0.000 1.023 956 L CA -0.530 54.285 54.840 -0.040 0.000 0.812 956 L CB 1.565 43.558 42.059 -0.109 0.000 1.223 956 L HN 0.533 nan 8.230 nan 0.000 0.421 957 R N 1.357 121.850 120.500 -0.013 0.000 2.711 957 R HA 0.608 4.948 4.340 0.001 0.000 0.284 957 R C 0.319 176.634 176.300 0.025 0.000 0.968 957 R CA -0.400 55.707 56.100 0.012 0.000 0.924 957 R CB 1.891 32.197 30.300 0.009 0.000 1.162 957 R HN 0.857 nan 8.270 nan 0.000 0.465 958 G N 2.312 111.145 108.800 0.054 0.000 2.203 958 G HA2 -0.175 3.786 3.960 0.001 0.000 0.231 958 G HA3 -0.175 3.786 3.960 0.001 0.000 0.231 958 G C -0.251 174.683 174.900 0.057 0.000 1.058 958 G CA -0.542 44.588 45.100 0.050 0.000 0.781 958 G HN 0.350 nan 8.290 nan 0.000 0.496 959 I N 0.260 120.889 120.570 0.099 0.000 2.433 959 I HA 0.366 4.536 4.170 0.001 0.000 0.292 959 I C -0.049 176.242 176.117 0.290 0.000 1.001 959 I CA -0.570 60.779 61.300 0.082 0.000 1.119 959 I CB 1.767 39.747 38.000 -0.033 0.000 1.289 959 I HN -0.028 nan 8.210 nan 0.000 0.438 960 D N 3.925 124.468 120.400 0.238 0.000 2.388 960 D HA 0.062 4.702 4.640 0.001 0.000 0.208 960 D C 0.536 176.970 176.300 0.223 0.000 1.035 960 D CA 0.698 54.890 54.000 0.321 0.000 0.875 960 D CB 0.995 41.933 40.800 0.230 0.000 0.984 960 D HN 0.539 nan 8.370 nan 0.000 0.508 961 K N 0.373 120.731 120.400 -0.070 0.000 2.443 961 K HA 0.394 4.715 4.320 0.001 0.000 0.251 961 K C -0.608 175.399 176.600 -0.987 0.000 0.972 961 K CA -1.006 55.027 56.287 -0.423 0.000 0.833 961 K CB 2.289 34.707 32.500 -0.138 0.000 1.317 961 K HN -0.165 nan 8.250 nan 0.000 0.441 962 L N 2.851 123.290 121.223 -1.306 0.000 2.562 962 L HA 0.171 4.511 4.340 0.001 0.000 0.271 962 L C -2.379 174.321 176.870 -0.285 0.000 1.167 962 L CA -0.590 53.736 54.840 -0.856 0.000 0.917 962 L CB -0.236 41.535 42.059 -0.480 0.000 1.187 962 L HN 0.521 nan 8.230 nan 0.000 0.482 963 P HA 0.234 nan 4.420 nan 0.000 0.270 963 P C -1.044 176.302 177.300 0.078 0.000 1.223 963 P CA -0.342 62.822 63.100 0.105 0.000 0.785 963 P CB 0.495 32.331 31.700 0.226 0.000 0.923 964 T N -1.463 113.175 114.554 0.140 0.000 2.918 964 T HA 0.680 5.031 4.350 0.001 0.000 0.286 964 T C 0.021 174.729 174.700 0.013 0.000 1.026 964 T CA -0.829 61.304 62.100 0.055 0.000 1.031 964 T CB 0.610 69.551 68.868 0.122 0.000 1.046 964 T HN 0.130 nan 8.240 nan 0.000 0.479 965 I N 2.401 122.864 120.570 -0.177 0.000 2.353 965 I HA 0.429 4.599 4.170 0.001 0.000 0.293 965 I C -0.202 175.631 176.117 -0.475 0.000 0.992 965 I CA -0.669 60.519 61.300 -0.187 0.000 1.268 965 I CB 0.760 38.633 38.000 -0.212 0.000 1.387 965 I HN 0.705 nan 8.210 nan 0.000 0.478 966 H N 2.641 121.623 119.070 -0.145 0.000 2.821 966 H HA 0.355 4.911 4.556 0.001 0.000 0.373 966 H C -0.054 175.261 175.328 -0.021 0.000 1.165 966 H CA -0.750 55.211 56.048 -0.145 0.000 1.154 966 H CB 1.874 31.424 29.762 -0.354 0.000 1.765 966 H HN 0.549 nan 8.280 nan 0.000 0.549 967 S N 0.847 116.611 115.700 0.107 0.000 3.631 967 S HA -0.195 4.275 4.470 0.001 0.000 0.366 967 S C -0.176 174.473 174.600 0.081 0.000 0.993 967 S CA 0.101 58.353 58.200 0.088 0.000 1.167 967 S CB -1.129 62.128 63.200 0.096 0.000 0.909 967 S HN 0.450 nan 8.310 nan 0.000 0.478 968 L N 2.348 123.606 121.223 0.058 0.000 2.360 968 L HA 0.612 4.953 4.340 0.001 0.000 0.276 968 L C 0.390 177.265 176.870 0.008 0.000 1.121 968 L CA 1.007 55.870 54.840 0.038 0.000 0.845 968 L CB 0.792 42.848 42.059 -0.007 0.000 1.143 968 L HN 0.480 nan 8.230 nan 0.000 0.452 969 S N 2.843 118.497 115.700 -0.076 0.000 2.615 969 S HA 1.028 5.498 4.470 0.001 0.000 0.269 969 S C -0.504 173.939 174.600 -0.261 0.000 1.161 969 S CA -0.147 58.008 58.200 -0.074 0.000 0.817 969 S CB 1.511 64.706 63.200 -0.008 0.000 1.131 969 S HN 1.286 nan 8.310 nan 0.000 0.467 970 G N -0.051 108.676 108.800 -0.121 0.000 2.317 970 G HA2 0.438 4.399 3.960 0.001 0.000 0.293 970 G HA3 0.438 4.399 3.960 0.001 0.000 0.293 970 G C -0.962 173.987 174.900 0.081 0.000 1.287 970 G CA -0.299 44.718 45.100 -0.139 0.000 0.850 970 G HN 1.000 nan 8.290 nan 0.000 0.515 971 T N 2.252 116.827 114.554 0.035 0.000 2.866 971 T HA 0.140 4.491 4.350 0.001 0.000 0.293 971 T C 0.648 175.388 174.700 0.068 0.000 1.005 971 T CA 0.146 62.239 62.100 -0.011 0.000 1.162 971 T CB -0.068 68.724 68.868 -0.127 0.000 0.968 971 T HN 0.478 nan 8.240 nan 0.000 0.530 972 N N 3.646 122.335 118.700 -0.018 0.000 2.294 972 N HA -0.055 4.686 4.740 0.001 0.000 0.263 972 N C 0.814 176.228 175.510 -0.159 0.000 1.281 972 N CA 0.411 53.421 53.050 -0.066 0.000 0.846 972 N CB -0.398 38.042 38.487 -0.079 0.000 1.061 972 N HN 0.676 nan 8.380 nan 0.000 0.478 973 N N -1.287 117.275 118.700 -0.230 0.000 2.741 973 N HA -0.236 4.504 4.740 0.001 0.000 0.251 973 N C -0.180 175.169 175.510 -0.267 0.000 1.112 973 N CA 0.899 53.783 53.050 -0.277 0.000 0.750 973 N CB -1.075 37.267 38.487 -0.242 0.000 1.119 973 N HN 0.615 nan 8.380 nan 0.000 0.561 974 S N -1.299 114.278 115.700 -0.206 0.000 2.603 974 S HA 0.237 4.708 4.470 0.001 0.000 0.232 974 S C -0.124 174.517 174.600 0.068 0.000 1.016 974 S CA -0.408 57.762 58.200 -0.051 0.000 0.976 974 S CB 0.038 63.267 63.200 0.049 0.000 0.921 974 S HN 0.486 nan 8.310 nan 0.000 0.516 975 Y N -1.153 119.114 120.300 -0.056 0.000 2.552 975 Y HA 0.781 5.332 4.550 0.001 0.000 0.337 975 Y C -1.331 174.537 175.900 -0.052 0.000 1.094 975 Y CA -1.456 56.618 58.100 -0.043 0.000 1.028 975 Y CB 0.340 38.779 38.460 -0.034 0.000 1.321 975 Y HN -0.171 nan 8.280 nan 0.000 0.456 976 D N 1.447 121.879 120.400 0.054 0.000 2.348 976 D HA 0.125 4.765 4.640 0.001 0.000 0.249 976 D C -0.635 175.720 176.300 0.092 0.000 1.110 976 D CA -0.479 53.522 54.000 0.002 0.000 0.967 976 D CB 1.157 41.953 40.800 -0.008 0.000 1.139 976 D HN 0.694 nan 8.370 nan 0.000 0.466 977 Q N 1.052 120.864 119.800 0.019 0.000 2.263 977 Q HA 0.128 4.468 4.340 0.001 0.000 0.289 977 Q C -2.381 173.580 176.000 -0.065 0.000 1.061 977 Q CA -0.641 55.155 55.803 -0.012 0.000 0.927 977 Q CB 0.379 29.089 28.738 -0.046 0.000 1.154 977 Q HN 0.020 nan 8.270 nan 0.000 0.378 978 P HA 0.001 nan 4.420 nan 0.000 0.265 978 P C -1.146 176.080 177.300 -0.123 0.000 1.193 978 P CA 0.253 63.239 63.100 -0.189 0.000 0.765 978 P CB 0.813 32.236 31.700 -0.463 0.000 0.823 979 S N 2.811 118.475 115.700 -0.059 0.000 2.525 979 S HA 0.428 4.899 4.470 0.001 0.000 0.278 979 S C -0.275 174.319 174.600 -0.010 0.000 1.234 979 S CA -0.381 57.801 58.200 -0.030 0.000 1.058 979 S CB 0.196 63.390 63.200 -0.010 0.000 0.983 979 S HN 0.185 nan 8.310 nan 0.000 0.495 980 L N 3.678 124.901 121.223 0.000 0.000 2.333 980 L HA 0.485 4.825 4.340 0.001 0.000 0.280 980 L C -0.089 176.814 176.870 0.055 0.000 1.004 980 L CA -0.365 54.495 54.840 0.033 0.000 0.820 980 L CB 1.252 43.330 42.059 0.030 0.000 1.247 980 L HN 0.558 nan 8.230 nan 0.000 0.416 981 N N 3.337 122.079 118.700 0.069 0.000 2.706 981 N HA 0.177 4.918 4.740 0.001 0.000 0.240 981 N C -1.305 174.270 175.510 0.108 0.000 1.039 981 N CA -0.414 52.676 53.050 0.067 0.000 0.888 981 N CB 0.347 38.851 38.487 0.027 0.000 1.128 981 N HN 0.286 nan 8.380 nan 0.000 0.512 982 F N 2.732 122.670 119.950 -0.020 0.000 2.444 982 F HA 0.284 4.812 4.527 0.001 0.000 0.360 982 F C 0.144 175.922 175.800 -0.037 0.000 1.106 982 F CA -0.889 57.095 58.000 -0.027 0.000 1.170 982 F CB 0.553 39.542 39.000 -0.019 0.000 1.113 982 F HN 0.295 nan 8.300 nan 0.000 0.521 983 D N 5.409 125.429 120.400 -0.634 0.000 2.428 983 D HA 0.073 4.714 4.640 0.001 0.000 0.221 983 D C 0.908 176.585 176.300 -1.038 0.000 1.123 983 D CA -0.135 53.478 54.000 -0.645 0.000 0.869 983 D CB 1.254 41.863 40.800 -0.318 0.000 1.032 983 D HN 0.759 nan 8.370 nan 0.000 0.506 984 Q N 4.967 124.107 119.800 -1.100 0.000 2.030 984 Q HA -0.244 4.096 4.340 0.001 0.000 0.204 984 Q C 1.614 177.236 176.000 -0.631 0.000 0.986 984 Q CA 2.281 57.564 55.803 -0.868 0.000 0.843 984 Q CB -0.078 28.438 28.738 -0.370 0.000 0.904 984 Q HN 0.543 nan 8.270 nan 0.000 0.420 985 K N -0.898 119.242 120.400 -0.433 0.000 2.209 985 K HA -0.104 4.217 4.320 0.001 0.000 0.204 985 K C 1.003 177.410 176.600 -0.321 0.000 1.048 985 K CA 1.740 57.833 56.287 -0.322 0.000 0.940 985 K CB -0.232 32.162 32.500 -0.177 0.000 0.729 985 K HN 0.273 nan 8.250 nan 0.000 0.451 986 N N 0.125 118.641 118.700 -0.306 0.000 2.203 986 N HA 0.057 4.797 4.740 0.001 0.000 0.207 986 N C -0.934 174.557 175.510 -0.031 0.000 1.130 986 N CA -0.225 52.752 53.050 -0.121 0.000 0.861 986 N CB 0.313 38.739 38.487 -0.102 0.000 1.005 986 N HN 0.206 nan 8.380 nan 0.000 0.507 987 H N 0.294 119.304 119.070 -0.100 0.000 2.604 987 H HA -0.174 4.382 4.556 0.001 0.000 0.321 987 H C -0.395 174.942 175.328 0.014 0.000 1.132 987 H CA 1.024 57.069 56.048 -0.005 0.000 1.129 987 H CB -1.761 28.021 29.762 0.034 0.000 1.526 987 H HN 0.475 nan 8.280 nan 0.000 0.415 988 M N -2.339 117.260 119.600 -0.002 0.000 2.531 988 M HA 0.724 5.205 4.480 0.001 0.000 0.286 988 M C -1.482 174.854 176.300 0.060 0.000 1.232 988 M CA -1.122 54.191 55.300 0.022 0.000 0.877 988 M CB 3.427 36.015 32.600 -0.019 0.000 1.726 988 M HN -0.037 nan 8.290 nan 0.000 0.463 989 V N 1.314 121.281 119.914 0.089 0.000 2.709 989 V HA 0.655 4.775 4.120 0.001 0.000 0.308 989 V C -0.984 175.142 176.094 0.055 0.000 1.062 989 V CA -0.033 62.341 62.300 0.124 0.000 0.901 989 V CB 2.565 34.492 31.823 0.172 0.000 1.003 989 V HN 1.043 nan 8.190 nan 0.000 0.425 990 T N 8.068 122.652 114.554 0.049 0.000 2.749 990 T HA 0.608 4.959 4.350 0.001 0.000 0.287 990 T C -0.319 174.413 174.700 0.053 0.000 0.970 990 T CA 0.083 62.206 62.100 0.038 0.000 0.980 990 T CB 0.596 69.475 68.868 0.020 0.000 0.924 990 T HN 0.488 nan 8.240 nan 0.000 0.456 991 I N 3.119 123.730 120.570 0.067 0.000 2.362 991 I HA 0.317 4.487 4.170 0.001 0.000 0.289 991 I C 0.278 176.444 176.117 0.080 0.000 0.994 991 I CA -0.494 60.854 61.300 0.080 0.000 1.158 991 I CB 1.657 39.739 38.000 0.136 0.000 1.315 991 I HN 0.485 nan 8.210 nan 0.000 0.451 992 T N 7.115 121.701 114.554 0.053 0.000 2.770 992 T HA 0.623 4.974 4.350 0.001 0.000 0.283 992 T C -0.143 174.584 174.700 0.045 0.000 0.988 992 T CA -0.324 61.808 62.100 0.053 0.000 0.957 992 T CB 0.824 69.712 68.868 0.034 0.000 0.930 992 T HN 0.250 nan 8.240 nan 0.000 0.443 993 I N 3.386 123.999 120.570 0.071 0.000 2.493 993 I HA 0.436 4.607 4.170 0.001 0.000 0.298 993 I C 0.242 176.395 176.117 0.059 0.000 0.998 993 I CA -0.764 60.575 61.300 0.064 0.000 1.137 993 I CB 1.683 39.751 38.000 0.112 0.000 1.310 993 I HN 0.523 nan 8.210 nan 0.000 0.445 994 N N 4.606 123.340 118.700 0.056 0.000 2.540 994 N HA 0.470 5.211 4.740 0.001 0.000 0.275 994 N C -1.382 174.173 175.510 0.074 0.000 1.053 994 N CA -0.081 53.001 53.050 0.052 0.000 0.876 994 N CB 1.251 39.758 38.487 0.034 0.000 1.284 994 N HN 0.801 nan 8.380 nan 0.000 0.518 995 S N 2.252 117.997 115.700 0.075 0.000 2.588 995 S HA 0.427 4.897 4.470 0.001 0.000 0.269 995 S C -1.274 173.381 174.600 0.092 0.000 1.157 995 S CA -0.971 57.291 58.200 0.103 0.000 0.824 995 S CB 1.899 65.168 63.200 0.114 0.000 1.126 995 S HN 0.626 nan 8.310 nan 0.000 0.464 996 N N -0.264 118.512 118.700 0.127 0.000 2.701 996 N HA 0.570 5.310 4.740 0.001 0.000 0.258 996 N C -0.438 175.253 175.510 0.302 0.000 1.262 996 N CA 0.247 53.401 53.050 0.174 0.000 0.780 996 N CB 0.849 39.430 38.487 0.157 0.000 1.380 996 N HN 1.314 nan 8.380 nan 0.000 0.548 997 G N 1.345 110.308 108.800 0.273 0.000 2.351 997 G HA2 -0.017 3.944 3.960 0.001 0.000 0.279 997 G HA3 -0.017 3.944 3.960 0.001 0.000 0.279 997 G C -1.910 172.996 174.900 0.011 0.000 1.297 997 G CA -0.978 44.240 45.100 0.198 0.000 0.886 997 G HN 0.455 nan 8.290 nan 0.000 0.493 998 N N -0.535 118.101 118.700 -0.106 0.000 2.524 998 N HA 0.593 5.334 4.740 0.001 0.000 0.283 998 N C -1.344 174.075 175.510 -0.151 0.000 1.142 998 N CA -0.260 52.705 53.050 -0.142 0.000 0.984 998 N CB 1.494 39.893 38.487 -0.148 0.000 1.155 998 N HN 0.571 nan 8.380 nan 0.000 0.467 999 L N 1.729 122.843 121.223 -0.181 0.000 2.472 999 L HA 0.440 4.781 4.340 0.001 0.000 0.260 999 L C -1.587 175.180 176.870 -0.171 0.000 0.963 999 L CA -0.402 54.311 54.840 -0.211 0.000 0.829 999 L CB 1.910 43.875 42.059 -0.157 0.000 1.348 999 L HN 0.715 nan 8.230 nan 0.000 0.408 1000 E N 3.386 123.508 120.200 -0.130 0.000 2.343 1000 E HA 0.750 5.101 4.350 0.001 0.000 0.278 1000 E C -1.570 175.054 176.600 0.040 0.000 0.910 1000 E CA -0.735 55.587 56.400 -0.131 0.000 0.757 1000 E CB 2.262 31.892 29.700 -0.116 0.000 1.218 1000 E HN 0.445 nan 8.360 nan 0.000 0.435 1001 F N -1.504 118.393 119.950 -0.089 0.000 2.807 1001 F HA 0.566 5.093 4.527 0.001 0.000 0.316 1001 F C -1.603 174.195 175.800 -0.003 0.000 1.162 1001 F CA -1.094 56.875 58.000 -0.052 0.000 0.910 1001 F CB 1.301 40.262 39.000 -0.065 0.000 1.314 1001 F HN 0.361 nan 8.300 nan 0.000 0.454 1002 E N 1.641 121.977 120.200 0.227 0.000 2.238 1002 E HA 0.607 4.958 4.350 0.001 0.000 0.267 1002 E C -1.552 175.214 176.600 0.276 0.000 0.887 1002 E CA -0.973 55.525 56.400 0.164 0.000 0.769 1002 E CB 2.994 32.791 29.700 0.163 0.000 1.187 1002 E HN 0.564 nan 8.360 nan 0.000 0.416 1003 L N 3.077 124.485 121.223 0.309 0.000 2.282 1003 L HA 0.368 4.708 4.340 0.001 0.000 0.288 1003 L C -0.254 176.809 176.870 0.321 0.000 1.033 1003 L CA -0.425 54.632 54.840 0.362 0.000 0.807 1003 L CB 0.711 43.084 42.059 0.522 0.000 1.209 1003 L HN 0.442 nan 8.230 nan 0.000 0.423 1004 H N 4.355 123.531 119.070 0.176 0.000 2.476 1004 H HA 0.620 5.176 4.556 0.001 0.000 0.328 1004 H C -0.790 174.588 175.328 0.084 0.000 1.073 1004 H CA -0.644 55.379 56.048 -0.041 0.000 1.229 1004 H CB 1.273 30.988 29.762 -0.078 0.000 1.432 1004 H HN 0.514 nan 8.280 nan 0.000 0.477 1005 F N 0.000 120.017 119.950 0.112 0.000 2.286 1005 F HA 0.000 4.528 4.527 0.001 0.000 0.279 1005 F CA 0.000 58.024 58.000 0.040 0.000 1.383 1005 F CB 0.000 39.017 39.000 0.028 0.000 1.145 1005 F HN 0.000 nan 8.300 nan 0.000 0.574