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 2wmj_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 APSKEKVLED 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 0.000 176.005 176.094 -0.149 0.000 1.182 422 V CA 0.000 62.223 62.300 -0.129 0.000 1.235 422 V CB 0.000 31.728 31.823 -0.158 0.000 1.184 423 D N 4.203 124.529 120.400 -0.124 0.000 2.487 423 D HA 0.131 4.771 4.640 0.001 0.000 0.243 423 D C 0.331 176.535 176.300 -0.160 0.000 1.154 423 D CA 0.166 54.093 54.000 -0.122 0.000 0.876 423 D CB 0.711 41.459 40.800 -0.087 0.000 1.161 423 D HN 0.272 nan 8.370 nan 0.000 0.478 424 K N 2.436 122.726 120.400 -0.183 0.000 2.485 424 K HA -0.000 4.320 4.320 0.001 0.000 0.277 424 K C 1.348 177.853 176.600 -0.158 0.000 0.990 424 K CA 0.119 56.273 56.287 -0.222 0.000 0.994 424 K CB 0.808 33.192 32.500 -0.194 0.000 0.906 424 K HN 0.372 nan 8.250 nan 0.000 0.488 425 R N 1.403 121.794 120.500 -0.182 0.000 2.193 425 R HA -0.086 4.254 4.340 0.001 0.000 0.213 425 R C 0.630 176.729 176.300 -0.336 0.000 1.055 425 R CA 0.945 56.901 56.100 -0.240 0.000 0.995 425 R CB 0.042 30.178 30.300 -0.273 0.000 0.893 425 R HN 0.623 nan 8.270 nan 0.000 0.459 426 R N -0.249 120.168 120.500 -0.138 0.000 2.734 426 R HA 0.336 4.677 4.340 0.001 0.000 0.271 426 R C -1.615 174.755 176.300 0.118 0.000 1.021 426 R CA -0.979 55.094 56.100 -0.045 0.000 0.893 426 R CB 1.069 31.332 30.300 -0.062 0.000 1.244 426 R HN -0.265 nan 8.270 nan 0.000 0.464 427 E N 1.473 121.698 120.200 0.042 0.000 2.231 427 E HA 0.505 4.855 4.350 0.001 0.000 0.277 427 E C -1.102 175.574 176.600 0.126 0.000 0.999 427 E CA -0.668 55.770 56.400 0.064 0.000 0.827 427 E CB 1.242 30.798 29.700 -0.241 0.000 1.101 427 E HN 0.554 nan 8.360 nan 0.000 0.393 428 I N 4.957 125.644 120.570 0.196 0.000 2.468 428 I HA 0.437 4.607 4.170 0.001 0.000 0.284 428 I C -0.732 175.490 176.117 0.175 0.000 1.038 428 I CA -0.723 60.655 61.300 0.130 0.000 1.083 428 I CB 1.081 39.007 38.000 -0.124 0.000 1.223 428 I HN 0.599 nan 8.210 nan 0.000 0.443 429 N N 3.662 122.460 118.700 0.164 0.000 3.373 429 N HA 0.108 4.849 4.740 0.001 0.000 0.275 429 N C 0.087 175.665 175.510 0.113 0.000 1.489 429 N CA -0.764 52.347 53.050 0.103 0.000 0.872 429 N CB -0.038 38.538 38.487 0.149 0.000 1.555 429 N HN 0.331 nan 8.380 nan 0.000 0.500 430 N N -0.021 118.734 118.700 0.091 0.000 2.149 430 N HA -0.198 4.542 4.740 0.001 0.000 0.188 430 N C 0.516 176.053 175.510 0.046 0.000 1.019 430 N CA 1.806 54.890 53.050 0.058 0.000 0.857 430 N CB -0.483 38.044 38.487 0.066 0.000 0.997 430 N HN 0.761 nan 8.380 nan 0.000 0.426 431 E N -0.839 119.416 120.200 0.092 0.000 2.371 431 E HA -0.044 4.307 4.350 0.001 0.000 0.194 431 E C -0.075 176.408 176.600 -0.194 0.000 1.012 431 E CA 0.522 56.902 56.400 -0.032 0.000 0.860 431 E CB -0.089 29.635 29.700 0.040 0.000 0.811 431 E HN 0.648 nan 8.360 nan 0.000 0.502 432 H N 0.196 119.353 119.070 0.146 0.000 2.336 432 H HA 0.193 4.750 4.556 0.001 0.000 0.230 432 H C -2.367 173.119 175.328 0.264 0.000 1.426 432 H CA -1.998 54.228 56.048 0.297 0.000 1.359 432 H CB 0.292 30.214 29.762 0.268 0.000 1.555 432 H HN 0.094 nan 8.280 nan 0.000 0.512 433 P HA 0.080 nan 4.420 nan 0.000 0.275 433 P C -0.495 177.127 177.300 0.537 0.000 1.270 433 P CA -0.603 62.676 63.100 0.298 0.000 0.791 433 P CB 1.586 33.411 31.700 0.208 0.000 1.089 434 L N 0.705 122.254 121.223 0.545 0.000 2.439 434 L HA 0.475 4.815 4.340 0.001 0.000 0.270 434 L C -1.490 175.560 176.870 0.300 0.000 0.972 434 L CA -0.891 54.199 54.840 0.417 0.000 0.836 434 L CB 1.242 43.405 42.059 0.173 0.000 1.255 434 L HN 0.105 nan 8.230 nan 0.000 0.404 435 L N 5.748 127.008 121.223 0.061 0.000 2.262 435 L HA 0.581 4.922 4.340 0.001 0.000 0.288 435 L C -0.471 176.418 176.870 0.031 0.000 1.035 435 L CA -0.126 54.584 54.840 -0.217 0.000 0.820 435 L CB 1.058 42.598 42.059 -0.866 0.000 1.204 435 L HN 0.697 nan 8.230 nan 0.000 0.424 436 M N 6.074 125.708 119.600 0.057 0.000 2.217 436 M HA 0.307 4.788 4.480 0.001 0.000 0.354 436 M C -0.374 175.950 176.300 0.041 0.000 1.225 436 M CA 0.480 55.785 55.300 0.007 0.000 1.137 436 M CB 0.795 33.322 32.600 -0.122 0.000 1.576 436 M HN 0.448 nan 8.290 nan 0.000 0.461 437 M N 5.494 125.046 119.600 -0.079 0.000 2.065 437 M HA 0.355 4.835 4.480 0.001 0.000 0.332 437 M C -2.417 173.683 176.300 -0.332 0.000 0.988 437 M CA -2.114 53.017 55.300 -0.283 0.000 0.944 437 M CB 0.384 32.911 32.600 -0.120 0.000 1.357 437 M HN 0.237 nan 8.290 nan 0.000 0.388 438 P HA 0.340 nan 4.420 nan 0.000 0.271 438 P C -0.987 176.256 177.300 -0.094 0.000 1.216 438 P CA -0.155 62.881 63.100 -0.106 0.000 0.776 438 P CB 1.211 32.971 31.700 0.099 0.000 0.881 439 L N 3.563 124.792 121.223 0.010 0.000 2.446 439 L HA 0.348 4.689 4.340 0.001 0.000 0.268 439 L C -0.668 176.408 176.870 0.344 0.000 0.975 439 L CA -0.875 53.902 54.840 -0.105 0.000 0.848 439 L CB 1.384 42.934 42.059 -0.850 0.000 1.225 439 L HN 0.299 nan 8.230 nan 0.000 0.410 440 Y N 2.037 122.516 120.300 0.298 0.000 2.341 440 Y HA 0.466 5.017 4.550 0.001 0.000 0.340 440 Y C 0.857 177.078 175.900 0.534 0.000 0.997 440 Y CA -0.755 57.576 58.100 0.385 0.000 1.149 440 Y CB 1.590 40.170 38.460 0.200 0.000 1.171 440 Y HN 0.612 nan 8.280 nan 0.000 0.494 441 A N 3.762 126.760 122.820 0.296 0.000 2.546 441 A HA -0.013 4.308 4.320 0.001 0.000 0.243 441 A C 0.534 178.029 177.584 -0.148 0.000 1.063 441 A CA -0.239 51.590 52.037 -0.347 0.000 0.757 441 A CB -0.131 18.104 19.000 -1.275 0.000 0.991 441 A HN 0.744 nan 8.150 nan 0.000 0.503 442 N N 2.586 121.060 118.700 -0.378 0.000 2.482 442 N HA 0.172 4.913 4.740 0.001 0.000 0.242 442 N C 1.208 176.520 175.510 -0.330 0.000 1.100 442 N CA 0.615 53.256 53.050 -0.681 0.000 0.946 442 N CB 0.933 38.844 38.487 -0.959 0.000 1.227 442 N HN 0.631 nan 8.380 nan 0.000 0.508 443 G N 2.747 111.491 108.800 -0.094 0.000 2.421 443 G HA2 -0.171 3.789 3.960 0.001 0.000 0.217 443 G HA3 -0.171 3.789 3.960 0.001 0.000 0.217 443 G C 1.128 176.053 174.900 0.042 0.000 1.143 443 G CA 0.381 45.472 45.100 -0.016 0.000 0.784 443 G HN 0.632 nan 8.290 nan 0.000 0.541 444 E N 0.541 120.759 120.200 0.030 0.000 2.077 444 E HA -0.117 4.234 4.350 0.001 0.000 0.193 444 E C 2.299 178.860 176.600 -0.065 0.000 0.989 444 E CA 1.056 57.465 56.400 0.015 0.000 0.800 444 E CB -0.098 29.644 29.700 0.069 0.000 0.746 444 E HN 0.550 nan 8.360 nan 0.000 0.452 445 E N 0.099 120.208 120.200 -0.152 0.000 2.216 445 E HA -0.115 4.236 4.350 0.001 0.000 0.192 445 E C 1.757 178.281 176.600 -0.126 0.000 0.988 445 E CA 0.241 56.550 56.400 -0.150 0.000 0.834 445 E CB -0.098 29.483 29.700 -0.199 0.000 0.772 445 E HN 0.164 nan 8.360 nan 0.000 0.479 446 F N 2.808 122.606 119.950 -0.253 0.000 2.161 446 F HA -0.194 4.333 4.527 0.001 0.000 0.300 446 F C 1.719 177.375 175.800 -0.239 0.000 1.089 446 F CA 1.271 59.096 58.000 -0.292 0.000 1.282 446 F CB -0.093 38.747 39.000 -0.267 0.000 1.010 446 F HN -0.068 nan 8.300 nan 0.000 0.485 447 N N 0.471 119.092 118.700 -0.131 0.000 2.348 447 N HA -0.188 4.553 4.740 0.001 0.000 0.185 447 N C 1.324 176.706 175.510 -0.213 0.000 1.019 447 N CA 1.305 54.250 53.050 -0.176 0.000 0.880 447 N CB -0.435 38.016 38.487 -0.060 0.000 0.965 447 N HN 0.575 nan 8.380 nan 0.000 0.437 448 Q N -0.918 118.759 119.800 -0.204 0.000 2.360 448 Q HA 0.240 4.581 4.340 0.001 0.000 0.202 448 Q C 0.619 176.487 176.000 -0.220 0.000 0.915 448 Q CA 0.211 55.909 55.803 -0.174 0.000 0.943 448 Q CB 0.574 29.239 28.738 -0.121 0.000 1.064 448 Q HN 0.360 nan 8.270 nan 0.000 0.511 449 G N 1.640 110.223 108.800 -0.361 0.000 2.143 449 G HA2 -0.283 3.678 3.960 0.001 0.000 0.249 449 G HA3 -0.283 3.678 3.960 0.001 0.000 0.249 449 G C -0.133 174.563 174.900 -0.340 0.000 0.981 449 G CA 0.080 44.945 45.100 -0.391 0.000 0.665 449 G HN 0.216 nan 8.290 nan 0.000 0.528 450 K N -0.776 119.433 120.400 -0.319 0.000 2.098 450 K HA 0.630 4.951 4.320 0.001 0.000 0.258 450 K C -0.783 175.637 176.600 -0.300 0.000 0.973 450 K CA -0.788 55.383 56.287 -0.194 0.000 0.898 450 K CB 1.056 33.489 32.500 -0.112 0.000 1.057 450 K HN 0.160 nan 8.250 nan 0.000 0.447 451 Y N 1.249 121.453 120.300 -0.160 0.000 2.842 451 Y HA 0.198 4.749 4.550 0.001 0.000 0.334 451 Y C 0.094 175.847 175.900 -0.244 0.000 1.019 451 Y CA -0.589 57.356 58.100 -0.259 0.000 1.258 451 Y CB 1.081 39.046 38.460 -0.826 0.000 1.106 451 Y HN 0.602 nan 8.280 nan 0.000 0.545 452 T N -1.811 112.704 114.554 -0.064 0.000 2.864 452 T HA 0.755 5.105 4.350 0.001 0.000 0.289 452 T C -1.026 173.461 174.700 -0.354 0.000 1.082 452 T CA -0.856 61.137 62.100 -0.178 0.000 1.009 452 T CB 1.739 70.552 68.868 -0.091 0.000 1.234 452 T HN 0.046 nan 8.240 nan 0.000 0.526 453 F N -0.526 119.503 119.950 0.130 0.000 2.532 453 F HA 0.576 5.103 4.527 0.001 0.000 0.321 453 F C -0.429 175.412 175.800 0.069 0.000 1.089 453 F CA -1.388 56.697 58.000 0.142 0.000 0.926 453 F CB 1.298 40.434 39.000 0.227 0.000 1.168 453 F HN 0.636 nan 8.300 nan 0.000 0.459 454 W N 1.750 123.246 121.300 0.327 0.000 2.264 454 W HA 0.382 5.042 4.660 0.001 0.000 0.331 454 W C 1.170 177.818 176.519 0.216 0.000 1.364 454 W CA 1.379 58.858 57.345 0.223 0.000 1.253 454 W CB 0.236 29.803 29.460 0.178 0.000 1.215 454 W HN 0.869 nan 8.180 nan 0.000 0.561 455 G N 1.204 110.277 108.800 0.455 0.000 2.194 455 G HA2 -0.091 3.870 3.960 0.001 0.000 0.236 455 G HA3 -0.091 3.870 3.960 0.001 0.000 0.236 455 G C 0.976 176.022 174.900 0.242 0.000 0.987 455 G CA 0.166 45.461 45.100 0.324 0.000 0.635 455 G HN 1.789 nan 8.290 nan 0.000 0.520 456 G N -0.523 108.420 108.800 0.237 0.000 2.162 456 G HA2 -0.249 3.712 3.960 0.001 0.000 0.260 456 G HA3 -0.249 3.712 3.960 0.001 0.000 0.260 456 G C 0.125 175.140 174.900 0.192 0.000 0.976 456 G CA 0.871 46.084 45.100 0.188 0.000 0.655 456 G HN 0.951 nan 8.290 nan 0.000 0.533 457 D N 1.130 121.652 120.400 0.203 0.000 2.400 457 D HA 0.468 5.109 4.640 0.001 0.000 0.238 457 D C 1.164 177.622 176.300 0.263 0.000 1.157 457 D CA 1.368 55.460 54.000 0.154 0.000 0.889 457 D CB 0.921 41.747 40.800 0.043 0.000 1.199 457 D HN 0.543 nan 8.370 nan 0.000 0.436 458 T N -1.741 112.935 114.554 0.203 0.000 2.912 458 T HA 0.335 4.686 4.350 0.001 0.000 0.288 458 T C 1.246 176.051 174.700 0.174 0.000 1.030 458 T CA -0.950 61.321 62.100 0.285 0.000 1.020 458 T CB 1.300 70.293 68.868 0.208 0.000 1.056 458 T HN 0.295 nan 8.240 nan 0.000 0.480 459 L N 1.031 122.396 121.223 0.237 0.000 2.012 459 L HA -0.106 4.235 4.340 0.001 0.000 0.210 459 L C 2.543 179.448 176.870 0.058 0.000 1.073 459 L CA 1.893 56.783 54.840 0.083 0.000 0.748 459 L CB -0.677 41.464 42.059 0.136 0.000 0.891 459 L HN 0.909 nan 8.230 nan 0.000 0.431 460 T N -0.720 113.894 114.554 0.100 0.000 2.770 460 T HA -0.080 4.271 4.350 0.001 0.000 0.263 460 T C 1.604 176.390 174.700 0.144 0.000 1.039 460 T CA 1.108 63.279 62.100 0.119 0.000 1.142 460 T CB -0.553 68.434 68.868 0.199 0.000 0.868 460 T HN 0.615 nan 8.240 nan 0.000 0.435 461 G N 1.599 110.477 108.800 0.130 0.000 2.440 461 G HA2 -0.264 3.696 3.960 0.001 0.000 0.218 461 G HA3 -0.264 3.696 3.960 0.001 0.000 0.218 461 G C 1.622 176.563 174.900 0.069 0.000 1.154 461 G CA 1.380 46.543 45.100 0.105 0.000 0.767 461 G HN 0.369 nan 8.290 nan 0.000 0.552 462 K N 0.103 120.537 120.400 0.056 0.000 2.002 462 K HA -0.106 4.215 4.320 0.001 0.000 0.209 462 K C 2.100 178.718 176.600 0.030 0.000 1.048 462 K CA 1.341 57.636 56.287 0.013 0.000 0.930 462 K CB -0.709 31.774 32.500 -0.029 0.000 0.714 462 K HN 0.488 nan 8.250 nan 0.000 0.438 463 W N 1.808 123.023 121.300 -0.142 0.000 2.335 463 W HA -0.230 4.430 4.660 0.001 0.000 0.311 463 W C 1.383 177.830 176.519 -0.120 0.000 1.213 463 W CA 2.000 59.236 57.345 -0.182 0.000 1.274 463 W CB -0.106 29.153 29.460 -0.336 0.000 1.148 463 W HN 0.253 nan 8.180 nan 0.000 0.498 464 E N 0.068 120.240 120.200 -0.047 0.000 2.130 464 E HA -0.313 4.037 4.350 0.001 0.000 0.196 464 E C 1.696 178.234 176.600 -0.103 0.000 0.998 464 E CA 1.735 58.105 56.400 -0.049 0.000 0.806 464 E CB -0.587 29.181 29.700 0.114 0.000 0.738 464 E HN 0.258 nan 8.360 nan 0.000 0.459 465 N N 0.574 119.226 118.700 -0.080 0.000 2.459 465 N HA -0.064 4.676 4.740 0.001 0.000 0.181 465 N C 0.228 175.676 175.510 -0.103 0.000 1.046 465 N CA 0.197 53.208 53.050 -0.065 0.000 0.904 465 N CB 0.069 38.532 38.487 -0.039 0.000 0.964 465 N HN 0.002 nan 8.380 nan 0.000 0.444 466 I N 2.024 122.474 120.570 -0.201 0.000 2.587 466 I HA 0.076 4.247 4.170 0.001 0.000 0.284 466 I C -1.944 174.067 176.117 -0.178 0.000 1.134 466 I CA -1.730 59.447 61.300 -0.205 0.000 1.410 466 I CB 0.608 38.382 38.000 -0.376 0.000 1.392 466 I HN 0.040 nan 8.210 nan 0.000 0.545 467 P HA -0.058 nan 4.420 nan 0.000 0.264 467 P C 0.089 177.355 177.300 -0.057 0.000 1.183 467 P CA 0.111 63.198 63.100 -0.022 0.000 0.763 467 P CB 0.484 32.212 31.700 0.046 0.000 0.807 468 D N 2.045 122.414 120.400 -0.051 0.000 2.158 468 D HA -0.194 4.446 4.640 0.001 0.000 0.197 468 D C 1.399 177.703 176.300 0.006 0.000 0.995 468 D CA 1.435 55.408 54.000 -0.044 0.000 0.846 468 D CB -0.424 40.367 40.800 -0.015 0.000 0.941 468 D HN 0.561 nan 8.370 nan 0.000 0.456 469 D N 0.470 120.895 120.400 0.041 0.000 2.263 469 D HA -0.166 4.475 4.640 0.001 0.000 0.208 469 D C 1.997 178.412 176.300 0.192 0.000 0.971 469 D CA 0.566 54.623 54.000 0.094 0.000 0.867 469 D CB -0.515 40.325 40.800 0.067 0.000 0.929 469 D HN 0.299 nan 8.370 nan 0.000 0.492 470 L N -0.473 120.852 121.223 0.171 0.000 2.477 470 L HA 0.115 4.455 4.340 0.001 0.000 0.220 470 L C 2.481 179.490 176.870 0.232 0.000 1.106 470 L CA -0.005 55.020 54.840 0.309 0.000 0.851 470 L CB -0.051 42.183 42.059 0.292 0.000 0.994 470 L HN -0.130 nan 8.230 nan 0.000 0.462 471 K N 0.796 121.202 120.400 0.010 0.000 2.113 471 K HA -0.164 4.157 4.320 0.001 0.000 0.208 471 K C -0.650 176.019 176.600 0.115 0.000 1.047 471 K CA 1.372 57.594 56.287 -0.107 0.000 0.928 471 K CB -0.882 31.454 32.500 -0.273 0.000 0.716 471 K HN 0.295 nan 8.250 nan 0.000 0.446 472 P HA -0.084 nan 4.420 nan 0.000 0.237 472 P C -0.010 177.069 177.300 -0.369 0.000 1.178 472 P CA 0.993 63.936 63.100 -0.263 0.000 0.766 472 P CB 0.111 31.465 31.700 -0.578 0.000 0.876 473 Y N -1.403 119.069 120.300 0.288 0.000 2.588 473 Y HA 0.239 4.789 4.550 0.001 0.000 0.247 473 Y C 0.839 176.985 175.900 0.410 0.000 1.157 473 Y CA -0.400 57.922 58.100 0.371 0.000 1.215 473 Y CB -0.221 38.482 38.460 0.405 0.000 1.245 473 Y HN -0.142 nan 8.280 nan 0.000 0.534 474 T N -1.665 113.144 114.554 0.425 0.000 2.876 474 T HA 0.802 5.152 4.350 0.001 0.000 0.289 474 T C -0.966 173.948 174.700 0.357 0.000 1.014 474 T CA -0.804 61.499 62.100 0.338 0.000 0.986 474 T CB 2.187 71.227 68.868 0.287 0.000 1.021 474 T HN -0.217 nan 8.240 nan 0.000 0.458 475 V N 3.668 123.712 119.914 0.216 0.000 2.638 475 V HA 0.387 4.508 4.120 0.001 0.000 0.306 475 V C -0.179 175.929 176.094 0.023 0.000 1.052 475 V CA -1.191 61.169 62.300 0.100 0.000 0.885 475 V CB 1.919 33.770 31.823 0.048 0.000 0.999 475 V HN 0.885 nan 8.190 nan 0.000 0.424 476 I N 4.258 124.799 120.570 -0.049 0.000 2.662 476 I HA 0.081 4.251 4.170 0.001 0.000 0.285 476 I C 0.543 176.588 176.117 -0.121 0.000 1.161 476 I CA 0.769 62.009 61.300 -0.099 0.000 1.415 476 I CB 0.380 38.284 38.000 -0.159 0.000 1.385 476 I HN 0.772 nan 8.210 nan 0.000 0.552 477 Q N 7.923 127.657 119.800 -0.109 0.000 2.400 477 Q HA 0.356 4.696 4.340 0.001 0.000 0.255 477 Q C -1.129 174.867 176.000 -0.007 0.000 1.008 477 Q CA -0.654 55.099 55.803 -0.083 0.000 0.841 477 Q CB 0.956 29.624 28.738 -0.117 0.000 1.220 477 Q HN 0.571 nan 8.270 nan 0.000 0.474 478 L N 3.916 125.143 121.223 0.007 0.000 2.416 478 L HA 0.256 4.596 4.340 0.001 0.000 0.272 478 L C 0.313 177.325 176.870 0.236 0.000 1.161 478 L CA -0.065 54.883 54.840 0.181 0.000 0.845 478 L CB 0.353 42.513 42.059 0.169 0.000 1.119 478 L HN 0.532 nan 8.230 nan 0.000 0.464 479 H N 5.485 124.638 119.070 0.137 0.000 2.589 479 H HA 0.287 4.844 4.556 0.001 0.000 0.351 479 H C -2.182 173.083 175.328 -0.106 0.000 1.074 479 H CA -1.882 54.093 56.048 -0.122 0.000 1.203 479 H CB 2.922 32.173 29.762 -0.851 0.000 1.558 479 H HN 0.305 nan 8.280 nan 0.000 0.522 480 P HA -0.037 nan 4.420 nan 0.000 0.236 480 P C 0.656 177.898 177.300 -0.097 0.000 1.177 480 P CA 0.439 63.379 63.100 -0.267 0.000 0.773 480 P CB 0.847 32.311 31.700 -0.393 0.000 0.878 481 D N 1.965 122.516 120.400 0.251 0.000 4.092 481 D HA -0.240 4.401 4.640 0.001 0.000 0.241 481 D C 0.350 176.723 176.300 0.123 0.000 0.686 481 D CA 2.544 56.690 54.000 0.243 0.000 0.904 481 D CB -1.298 39.711 40.800 0.348 0.000 0.399 481 D HN 0.270 nan 8.370 nan 0.000 0.335 482 D N 0.575 121.065 120.400 0.150 0.000 2.615 482 D HA 0.148 4.789 4.640 0.001 0.000 0.236 482 D C 0.471 176.785 176.300 0.024 0.000 1.233 482 D CA -0.349 53.722 54.000 0.119 0.000 0.829 482 D CB -1.066 39.857 40.800 0.204 0.000 1.024 482 D HN 0.395 nan 8.370 nan 0.000 0.490 483 L N 0.612 121.757 121.223 -0.129 0.000 2.506 483 L HA 0.115 4.455 4.340 0.001 0.000 0.281 483 L C -1.693 175.097 176.870 -0.134 0.000 1.228 483 L CA -1.235 53.444 54.840 -0.268 0.000 0.850 483 L CB -0.156 41.582 42.059 -0.535 0.000 1.110 483 L HN -0.141 nan 8.230 nan 0.000 0.496 484 P HA -0.090 nan 4.420 nan 0.000 0.261 484 P C -0.979 176.255 177.300 -0.111 0.000 1.165 484 P CA 0.476 63.542 63.100 -0.056 0.000 0.759 484 P CB 0.201 31.892 31.700 -0.015 0.000 0.772 485 K N 4.746 125.102 120.400 -0.074 0.000 2.307 485 K HA 0.187 4.508 4.320 0.001 0.000 0.240 485 K C 0.708 177.052 176.600 -0.428 0.000 1.214 485 K CA -0.227 56.044 56.287 -0.026 0.000 1.149 485 K CB -0.083 32.497 32.500 0.133 0.000 1.668 485 K HN 0.479 nan 8.250 nan 0.000 0.314 486 R N -0.844 119.141 120.500 -0.858 0.000 2.716 486 R HA 0.255 4.595 4.340 0.001 0.000 0.271 486 R C -1.548 173.899 176.300 -1.422 0.000 1.028 486 R CA -1.098 54.222 56.100 -1.301 0.000 0.883 486 R CB 0.512 30.458 30.300 -0.590 0.000 1.250 486 R HN 0.074 nan 8.270 nan 0.000 0.465 487 D N -0.468 119.058 120.400 -1.457 0.000 2.488 487 D HA 0.302 4.943 4.640 0.001 0.000 0.238 487 D C 1.229 177.302 176.300 -0.378 0.000 1.138 487 D CA 2.588 56.084 54.000 -0.840 0.000 0.873 487 D CB 0.632 41.160 40.800 -0.453 0.000 1.183 487 D HN 0.778 nan 8.370 nan 0.000 0.458 488 G N 2.193 110.865 108.800 -0.213 0.000 2.284 488 G HA2 -0.330 3.631 3.960 0.001 0.000 0.230 488 G HA3 -0.330 3.631 3.960 0.001 0.000 0.230 488 G C 1.222 176.067 174.900 -0.092 0.000 1.021 488 G CA 0.512 45.538 45.100 -0.124 0.000 0.619 488 G HN 0.868 nan 8.290 nan 0.000 0.510 489 A N 0.879 123.614 122.820 -0.141 0.000 1.858 489 A HA 0.417 4.738 4.320 0.001 0.000 0.216 489 A C 2.875 180.241 177.584 -0.364 0.000 1.190 489 A CA 3.294 55.226 52.037 -0.174 0.000 0.617 489 A CB -1.043 17.817 19.000 -0.234 0.000 0.827 489 A HN 1.820 nan 8.150 nan 0.000 0.443 490 A N -0.438 122.157 122.820 -0.376 0.000 1.898 490 A HA -0.141 4.179 4.320 0.001 0.000 0.216 490 A C 2.241 179.557 177.584 -0.447 0.000 1.181 490 A CA 1.469 53.187 52.037 -0.531 0.000 0.620 490 A CB -0.474 18.203 19.000 -0.539 0.000 0.819 490 A HN 0.545 nan 8.150 nan 0.000 0.442 491 R N -0.507 119.761 120.500 -0.387 0.000 2.091 491 R HA -0.165 4.176 4.340 0.001 0.000 0.238 491 R C 2.039 178.380 176.300 0.068 0.000 1.136 491 R CA 1.532 57.427 56.100 -0.342 0.000 0.959 491 R CB -0.429 29.581 30.300 -0.483 0.000 0.856 491 R HN 0.654 nan 8.270 nan 0.000 0.437 492 D N 0.382 120.842 120.400 0.100 0.000 2.084 492 D HA -0.207 4.434 4.640 0.001 0.000 0.194 492 D C 1.678 178.221 176.300 0.404 0.000 0.990 492 D CA 1.230 55.401 54.000 0.286 0.000 0.826 492 D CB -0.224 40.794 40.800 0.364 0.000 0.971 492 D HN 0.112 nan 8.370 nan 0.000 0.453 493 F N -0.141 119.890 119.950 0.135 0.000 2.095 493 F HA -0.252 4.276 4.527 0.001 0.000 0.298 493 F C 2.102 178.064 175.800 0.269 0.000 1.104 493 F CA 1.483 59.577 58.000 0.156 0.000 1.232 493 F CB -0.338 38.480 39.000 -0.302 0.000 0.987 493 F HN -0.015 nan 8.300 nan 0.000 0.475 494 Y N 0.931 121.418 120.300 0.312 0.000 2.200 494 Y HA -0.149 4.402 4.550 0.001 0.000 0.290 494 Y C 2.461 178.459 175.900 0.164 0.000 1.137 494 Y CA 1.390 59.649 58.100 0.265 0.000 1.163 494 Y CB -1.196 37.475 38.460 0.352 0.000 0.988 494 Y HN 0.235 nan 8.280 nan 0.000 0.518 495 E N -1.281 119.161 120.200 0.403 0.000 2.153 495 E HA -0.234 4.116 4.350 0.001 0.000 0.194 495 E C 2.150 178.804 176.600 0.090 0.000 0.988 495 E CA 0.908 57.464 56.400 0.261 0.000 0.811 495 E CB -0.279 29.630 29.700 0.348 0.000 0.746 495 E HN 0.485 nan 8.360 nan 0.000 0.466 496 H N 0.543 119.577 119.070 -0.059 0.000 2.321 496 H HA -0.094 4.462 4.556 0.001 0.000 0.300 496 H C 1.898 177.070 175.328 -0.260 0.000 1.087 496 H CA 1.351 57.235 56.048 -0.275 0.000 1.319 496 H CB 0.214 29.602 29.762 -0.623 0.000 1.379 496 H HN 0.117 nan 8.280 nan 0.000 0.501 497 M N 0.242 119.810 119.600 -0.053 0.000 2.288 497 M HA -0.062 4.419 4.480 0.001 0.000 0.266 497 M C 2.722 178.924 176.300 -0.164 0.000 1.072 497 M CA 0.558 55.821 55.300 -0.062 0.000 1.132 497 M CB -0.725 31.901 32.600 0.043 0.000 1.386 497 M HN 0.228 nan 8.290 nan 0.000 0.432 498 L N -0.166 120.901 121.223 -0.260 0.000 2.093 498 L HA -0.182 4.159 4.340 0.001 0.000 0.208 498 L C 2.611 179.188 176.870 -0.489 0.000 1.085 498 L CA 1.004 55.497 54.840 -0.579 0.000 0.755 498 L CB -0.538 40.876 42.059 -1.075 0.000 0.904 498 L HN 0.258 nan 8.230 nan 0.000 0.435 499 E N 0.024 120.063 120.200 -0.268 0.000 2.051 499 E HA -0.284 4.067 4.350 0.001 0.000 0.192 499 E C 2.014 178.536 176.600 -0.130 0.000 0.991 499 E CA 1.315 57.656 56.400 -0.099 0.000 0.799 499 E CB -0.114 29.520 29.700 -0.109 0.000 0.748 499 E HN 0.513 nan 8.360 nan 0.000 0.449 500 E N 0.497 120.580 120.200 -0.196 0.000 2.058 500 E HA -0.194 4.156 4.350 0.001 0.000 0.194 500 E C 2.013 178.568 176.600 -0.075 0.000 0.997 500 E CA 1.139 57.463 56.400 -0.128 0.000 0.801 500 E CB -0.035 29.597 29.700 -0.114 0.000 0.746 500 E HN 0.173 nan 8.360 nan 0.000 0.450 501 A N 1.165 123.902 122.820 -0.138 0.000 1.877 501 A HA -0.126 4.194 4.320 0.001 0.000 0.216 501 A C 2.394 179.908 177.584 -0.118 0.000 1.186 501 A CA 1.969 53.894 52.037 -0.187 0.000 0.620 501 A CB -0.803 18.027 19.000 -0.284 0.000 0.822 501 A HN 0.423 nan 8.150 nan 0.000 0.443 502 A N -0.515 122.259 122.820 -0.077 0.000 1.969 502 A HA -0.103 4.217 4.320 0.001 0.000 0.218 502 A C 2.007 179.614 177.584 0.037 0.000 1.169 502 A CA 1.654 53.702 52.037 0.019 0.000 0.635 502 A CB -0.303 18.794 19.000 0.161 0.000 0.810 502 A HN 0.533 nan 8.150 nan 0.000 0.445 503 K N -1.656 118.762 120.400 0.029 0.000 2.404 503 K HA 0.084 4.405 4.320 0.001 0.000 0.194 503 K C -0.023 176.606 176.600 0.048 0.000 1.023 503 K CA -0.380 55.922 56.287 0.025 0.000 1.094 503 K CB -0.009 32.490 32.500 -0.001 0.000 0.841 503 K HN 0.554 nan 8.250 nan 0.000 0.523 504 Y N 1.581 121.853 120.300 -0.047 0.000 2.805 504 Y HA -0.058 4.493 4.550 0.001 0.000 0.337 504 Y C -0.341 175.564 175.900 0.008 0.000 1.252 504 Y CA 0.131 58.218 58.100 -0.021 0.000 1.515 504 Y CB 0.503 38.936 38.460 -0.044 0.000 1.305 504 Y HN -0.308 nan 8.280 nan 0.000 0.600 505 V N 7.372 126.843 119.914 -0.739 0.000 2.407 505 V HA 0.109 4.230 4.120 0.001 0.000 0.291 505 V C -0.361 175.190 176.094 -0.906 0.000 1.018 505 V CA -1.352 60.581 62.300 -0.610 0.000 0.842 505 V CB 1.248 32.907 31.823 -0.273 0.000 0.996 505 V HN 0.836 nan 8.190 nan 0.000 0.426 506 N N 8.213 126.531 118.700 -0.635 0.000 2.394 506 N HA 0.038 4.779 4.740 0.001 0.000 0.277 506 N C -1.470 173.955 175.510 -0.141 0.000 1.346 506 N CA -1.206 51.699 53.050 -0.241 0.000 0.910 506 N CB 1.253 39.752 38.487 0.020 0.000 1.201 506 N HN 0.352 nan 8.380 nan 0.000 0.488 507 P HA 0.027 nan 4.420 nan 0.000 0.249 507 P C 0.132 177.425 177.300 -0.012 0.000 1.241 507 P CA 0.733 63.805 63.100 -0.048 0.000 0.781 507 P CB 0.343 32.036 31.700 -0.013 0.000 1.088 508 K N -0.357 120.044 120.400 0.002 0.000 2.190 508 K HA 0.029 4.350 4.320 0.001 0.000 0.202 508 K C 2.028 178.631 176.600 0.004 0.000 1.045 508 K CA 1.646 57.940 56.287 0.010 0.000 0.976 508 K CB -0.465 32.049 32.500 0.025 0.000 0.849 508 K HN 0.138 nan 8.250 nan 0.000 0.468 509 T N -2.285 112.271 114.554 0.003 0.000 3.057 509 T HA 0.138 4.489 4.350 0.001 0.000 0.254 509 T C 1.582 176.273 174.700 -0.015 0.000 1.094 509 T CA 0.586 62.687 62.100 0.001 0.000 1.088 509 T CB 0.236 69.113 68.868 0.015 0.000 0.934 509 T HN 0.343 nan 8.240 nan 0.000 0.497 510 G N 2.205 110.983 108.800 -0.035 0.000 2.186 510 G HA2 -0.346 3.615 3.960 0.001 0.000 0.266 510 G HA3 -0.346 3.615 3.960 0.001 0.000 0.266 510 G C -0.019 174.848 174.900 -0.054 0.000 0.982 510 G CA 0.823 45.893 45.100 -0.050 0.000 0.670 510 G HN 1.047 nan 8.290 nan 0.000 0.533 511 K N -0.445 119.928 120.400 -0.045 0.000 2.110 511 K HA 0.577 4.898 4.320 0.001 0.000 0.263 511 K C 0.091 176.663 176.600 -0.048 0.000 0.975 511 K CA -0.825 55.442 56.287 -0.032 0.000 0.895 511 K CB 0.925 33.422 32.500 -0.004 0.000 1.060 511 K HN 0.010 nan 8.250 nan 0.000 0.448 512 N N 2.157 120.838 118.700 -0.032 0.000 2.423 512 N HA -0.047 4.694 4.740 0.001 0.000 0.275 512 N C -1.246 174.283 175.510 0.031 0.000 1.283 512 N CA 0.273 53.311 53.050 -0.020 0.000 0.932 512 N CB 0.280 38.763 38.487 -0.007 0.000 1.185 512 N HN 0.627 nan 8.380 nan 0.000 0.483 513 E N 4.257 124.504 120.200 0.079 0.000 2.346 513 E HA 0.261 4.612 4.350 0.001 0.000 0.239 513 E C -2.343 174.385 176.600 0.214 0.000 0.943 513 E CA -2.001 54.502 56.400 0.172 0.000 0.751 513 E CB 0.991 30.845 29.700 0.257 0.000 1.241 513 E HN 0.510 nan 8.360 nan 0.000 0.423 514 P HA -0.091 nan 4.420 nan 0.000 0.261 514 P C -0.427 176.748 177.300 -0.208 0.000 1.173 514 P CA 0.615 63.701 63.100 -0.024 0.000 0.760 514 P CB 0.413 32.100 31.700 -0.021 0.000 0.783 515 I N 6.395 126.714 120.570 -0.418 0.000 2.416 515 I HA 0.149 4.320 4.170 0.001 0.000 0.288 515 I C -1.696 173.984 176.117 -0.727 0.000 1.051 515 I CA -2.211 58.540 61.300 -0.915 0.000 1.375 515 I CB 0.739 38.069 38.000 -1.117 0.000 1.407 515 I HN 0.180 nan 8.210 nan 0.000 0.516 516 P HA 0.153 nan 4.420 nan 0.000 0.276 516 P C -0.752 176.246 177.300 -0.504 0.000 1.230 516 P CA -0.022 62.685 63.100 -0.655 0.000 0.776 516 P CB 1.337 32.742 31.700 -0.491 0.000 0.888 517 V N 4.973 124.626 119.914 -0.434 0.000 2.735 517 V HA 0.459 4.580 4.120 0.001 0.000 0.310 517 V C 0.287 176.262 176.094 -0.197 0.000 1.061 517 V CA -0.704 61.418 62.300 -0.296 0.000 0.913 517 V CB 2.226 33.860 31.823 -0.316 0.000 1.005 517 V HN 0.400 nan 8.190 nan 0.000 0.428 518 I N 4.263 124.739 120.570 -0.155 0.000 2.509 518 I HA 0.478 4.649 4.170 0.001 0.000 0.293 518 I C -0.827 175.196 176.117 -0.157 0.000 1.020 518 I CA -0.456 60.780 61.300 -0.106 0.000 1.088 518 I CB 1.926 39.881 38.000 -0.074 0.000 1.267 518 I HN 0.335 nan 8.210 nan 0.000 0.430 519 L N 5.139 126.252 121.223 -0.183 0.000 2.295 519 L HA 0.423 4.763 4.340 0.001 0.000 0.285 519 L C 0.008 176.851 176.870 -0.045 0.000 1.035 519 L CA -0.624 54.044 54.840 -0.288 0.000 0.806 519 L CB 1.371 43.162 42.059 -0.447 0.000 1.214 519 L HN 0.530 nan 8.230 nan 0.000 0.426 520 T N 2.463 117.037 114.554 0.032 0.000 2.738 520 T HA 0.120 4.471 4.350 0.001 0.000 0.293 520 T C 1.091 175.807 174.700 0.026 0.000 0.913 520 T CA -0.393 61.742 62.100 0.059 0.000 1.103 520 T CB 0.781 69.598 68.868 -0.084 0.000 0.880 520 T HN 0.566 nan 8.240 nan 0.000 0.526 521 V N 0.935 120.798 119.914 -0.085 0.000 3.661 521 V HA 0.472 4.593 4.120 0.001 0.000 0.271 521 V C -0.127 175.862 176.094 -0.176 0.000 1.315 521 V CA -0.005 62.221 62.300 -0.122 0.000 1.072 521 V CB -0.582 31.084 31.823 -0.262 0.000 0.830 521 V HN 0.726 nan 8.190 nan 0.000 0.443 522 Y N -0.070 120.000 120.300 -0.383 0.000 2.399 522 Y HA 0.657 5.207 4.550 0.001 0.000 0.327 522 Y C -0.635 175.051 175.900 -0.356 0.000 1.111 522 Y CA 0.137 58.022 58.100 -0.358 0.000 1.047 522 Y CB 2.026 40.247 38.460 -0.399 0.000 1.259 522 Y HN 0.109 nan 8.280 nan 0.000 0.434 523 T N 3.626 117.859 114.554 -0.536 0.000 2.893 523 T HA 0.520 4.871 4.350 0.001 0.000 0.337 523 T C -0.748 173.680 174.700 -0.454 0.000 1.587 523 T CA 0.112 61.998 62.100 -0.356 0.000 1.066 523 T CB 0.914 69.635 68.868 -0.245 0.000 1.414 523 T HN 1.760 nan 8.240 nan 0.000 0.488 524 A N 1.309 123.887 122.820 -0.404 0.000 2.704 524 A HA 0.123 4.444 4.320 0.001 0.000 0.299 524 A C 1.799 179.016 177.584 -0.611 0.000 1.507 524 A CA 1.965 53.633 52.037 -0.614 0.000 0.776 524 A CB -2.211 16.549 19.000 -0.400 0.000 1.027 524 A HN 2.769 nan 8.150 nan 0.000 0.475 525 G N -0.703 107.728 108.800 -0.615 0.000 2.212 525 G HA2 -0.375 3.586 3.960 0.001 0.000 0.267 525 G HA3 -0.375 3.586 3.960 0.001 0.000 0.267 525 G C 0.492 174.919 174.900 -0.788 0.000 1.002 525 G CA 0.966 45.728 45.100 -0.563 0.000 0.729 525 G HN 2.086 nan 8.290 nan 0.000 0.517 526 N N -1.685 116.407 118.700 -1.014 0.000 2.696 526 N HA -0.180 4.561 4.740 0.001 0.000 0.249 526 N C 0.617 175.871 175.510 -0.426 0.000 1.090 526 N CA 0.737 53.345 53.050 -0.736 0.000 0.716 526 N CB -0.325 37.665 38.487 -0.828 0.000 1.020 526 N HN 0.427 nan 8.380 nan 0.000 0.548 527 M N 0.366 119.683 119.600 -0.473 0.000 2.239 527 M HA 0.046 4.527 4.480 0.001 0.000 0.348 527 M C -1.036 174.849 176.300 -0.692 0.000 1.239 527 M CA -1.730 53.178 55.300 -0.655 0.000 1.114 527 M CB -0.299 31.631 32.600 -1.118 0.000 1.641 527 M HN -0.030 nan 8.290 nan 0.000 0.453 528 P HA -0.139 nan 4.420 nan 0.000 0.222 528 P C 0.916 178.149 177.300 -0.110 0.000 1.147 528 P CA 1.560 64.329 63.100 -0.553 0.000 0.790 528 P CB -0.383 30.954 31.700 -0.604 0.000 0.780 529 Y N -3.993 116.159 120.300 -0.246 0.000 2.561 529 Y HA 0.073 4.623 4.550 0.001 0.000 0.291 529 Y C 1.634 177.392 175.900 -0.237 0.000 1.141 529 Y CA 0.256 58.199 58.100 -0.262 0.000 1.303 529 Y CB -1.252 36.976 38.460 -0.387 0.000 1.015 529 Y HN -0.157 nan 8.280 nan 0.000 0.547 530 Y N 0.099 120.279 120.300 -0.200 0.000 2.558 530 Y HA 0.290 4.840 4.550 0.001 0.000 0.273 530 Y C 0.703 176.567 175.900 -0.060 0.000 1.100 530 Y CA -0.161 57.884 58.100 -0.092 0.000 1.276 530 Y CB 0.476 38.843 38.460 -0.155 0.000 1.196 530 Y HN 0.023 nan 8.280 nan 0.000 0.527 531 T N -1.103 113.477 114.554 0.043 0.000 2.956 531 T HA 0.289 4.639 4.350 0.001 0.000 0.312 531 T C 0.806 175.566 174.700 0.099 0.000 1.151 531 T CA 0.010 62.122 62.100 0.020 0.000 1.024 531 T CB 1.111 69.925 68.868 -0.091 0.000 1.140 531 T HN 0.100 nan 8.240 nan 0.000 0.473 532 S N 2.675 118.438 115.700 0.104 0.000 2.469 532 S HA -0.013 4.458 4.470 0.001 0.000 0.238 532 S C 2.264 176.932 174.600 0.114 0.000 0.998 532 S CA 0.935 59.248 58.200 0.189 0.000 0.957 532 S CB -0.522 62.636 63.200 -0.070 0.000 0.764 532 S HN 0.914 nan 8.310 nan 0.000 0.514 533 A N 1.752 124.525 122.820 -0.077 0.000 2.121 533 A HA -0.132 4.188 4.320 0.001 0.000 0.218 533 A C 2.005 179.481 177.584 -0.181 0.000 1.154 533 A CA 1.275 53.220 52.037 -0.153 0.000 0.679 533 A CB -1.215 17.655 19.000 -0.216 0.000 0.795 533 A HN 0.762 nan 8.150 nan 0.000 0.458 534 H N -0.939 117.916 119.070 -0.359 0.000 2.394 534 H HA -0.174 4.383 4.556 0.001 0.000 0.297 534 H C 0.243 175.201 175.328 -0.616 0.000 1.113 534 H CA 1.512 57.150 56.048 -0.684 0.000 1.277 534 H CB -0.067 28.909 29.762 -1.310 0.000 1.370 534 H HN 0.697 nan 8.280 nan 0.000 0.506 535 W N 0.971 122.213 121.300 -0.096 0.000 2.564 535 W HA 0.299 4.960 4.660 0.001 0.000 0.414 535 W C -0.621 175.755 176.519 -0.238 0.000 0.700 535 W CA -0.278 56.992 57.345 -0.125 0.000 2.430 535 W CB -0.215 29.201 29.460 -0.074 0.000 1.529 535 W HN 0.033 nan 8.180 nan 0.000 0.795 536 L N 2.242 123.398 121.223 -0.110 0.000 2.417 536 L HA 0.182 4.523 4.340 0.001 0.000 0.259 536 L C 0.920 177.819 176.870 0.049 0.000 1.023 536 L CA -0.316 54.453 54.840 -0.119 0.000 0.901 536 L CB 0.917 42.927 42.059 -0.080 0.000 1.227 536 L HN -0.151 nan 8.230 nan 0.000 0.454 537 S N 0.033 115.791 115.700 0.097 0.000 2.593 537 S HA 0.155 4.626 4.470 0.001 0.000 0.269 537 S C 1.148 175.875 174.600 0.212 0.000 1.334 537 S CA -0.338 57.929 58.200 0.113 0.000 1.015 537 S CB 1.392 64.654 63.200 0.104 0.000 0.912 537 S HN 0.535 nan 8.310 nan 0.000 0.541 538 T N 2.385 117.005 114.554 0.110 0.000 2.833 538 T HA -0.098 4.253 4.350 0.001 0.000 0.269 538 T C 2.045 176.814 174.700 0.115 0.000 1.054 538 T CA 1.724 63.883 62.100 0.099 0.000 1.135 538 T CB -0.579 68.266 68.868 -0.037 0.000 0.869 538 T HN 0.641 nan 8.240 nan 0.000 0.466 539 S N -0.096 115.671 115.700 0.111 0.000 2.353 539 S HA -0.137 4.333 4.470 0.001 0.000 0.222 539 S C 1.583 176.275 174.600 0.153 0.000 1.035 539 S CA 1.425 59.690 58.200 0.110 0.000 1.025 539 S CB -0.413 62.852 63.200 0.109 0.000 0.902 539 S HN 0.737 nan 8.310 nan 0.000 0.440 540 W N 2.017 123.345 121.300 0.046 0.000 2.358 540 W HA -0.092 4.569 4.660 0.001 0.000 0.303 540 W C 1.714 178.270 176.519 0.062 0.000 1.208 540 W CA 1.231 58.613 57.345 0.061 0.000 1.274 540 W CB -0.469 29.035 29.460 0.073 0.000 1.138 540 W HN 0.241 nan 8.180 nan 0.000 0.515 541 I N 0.360 121.020 120.570 0.150 0.000 2.127 541 I HA -0.330 3.841 4.170 0.001 0.000 0.241 541 I C 2.316 178.366 176.117 -0.112 0.000 1.075 541 I CA 2.034 63.288 61.300 -0.078 0.000 1.334 541 I CB -0.853 37.236 38.000 0.149 0.000 1.040 541 I HN -0.047 nan 8.210 nan 0.000 0.405 542 D N 1.208 121.632 120.400 0.041 0.000 2.116 542 D HA -0.257 4.384 4.640 0.001 0.000 0.193 542 D C 2.140 178.432 176.300 -0.013 0.000 0.998 542 D CA 1.494 55.540 54.000 0.076 0.000 0.836 542 D CB -0.101 40.722 40.800 0.039 0.000 0.951 542 D HN 0.139 nan 8.370 nan 0.000 0.449 543 K N -0.686 119.653 120.400 -0.101 0.000 2.063 543 K HA -0.151 4.170 4.320 0.001 0.000 0.208 543 K C 2.090 178.550 176.600 -0.233 0.000 1.048 543 K CA 1.097 57.292 56.287 -0.153 0.000 0.928 543 K CB -0.032 32.378 32.500 -0.151 0.000 0.713 543 K HN 0.125 nan 8.250 nan 0.000 0.442 544 M N -0.381 118.970 119.600 -0.415 0.000 2.132 544 M HA -0.152 4.329 4.480 0.001 0.000 0.263 544 M C 2.002 178.238 176.300 -0.106 0.000 1.065 544 M CA 1.540 56.637 55.300 -0.338 0.000 1.122 544 M CB -1.123 31.041 32.600 -0.727 0.000 1.365 544 M HN 0.198 nan 8.290 nan 0.000 0.411 545 Y N 0.910 121.129 120.300 -0.135 0.000 2.181 545 Y HA -0.264 4.286 4.550 0.001 0.000 0.288 545 Y C 2.676 178.532 175.900 -0.074 0.000 1.146 545 Y CA 1.224 59.282 58.100 -0.069 0.000 1.164 545 Y CB -0.134 38.282 38.460 -0.073 0.000 0.982 545 Y HN 0.379 nan 8.280 nan 0.000 0.515 546 Q N -0.201 119.632 119.800 0.055 0.000 2.172 546 Q HA -0.188 4.153 4.340 0.001 0.000 0.200 546 Q C 2.104 178.038 176.000 -0.109 0.000 0.964 546 Q CA 1.164 56.949 55.803 -0.030 0.000 0.855 546 Q CB -0.034 28.674 28.738 -0.049 0.000 0.918 546 Q HN 0.364 nan 8.270 nan 0.000 0.444 547 K N -0.239 120.039 120.400 -0.204 0.000 2.167 547 K HA -0.050 4.270 4.320 0.001 0.000 0.203 547 K C -0.406 175.848 176.600 -0.577 0.000 1.052 547 K CA 0.633 56.650 56.287 -0.449 0.000 0.956 547 K CB 0.433 32.535 32.500 -0.663 0.000 0.735 547 K HN 0.037 nan 8.250 nan 0.000 0.451 548 Y N 0.209 120.470 120.300 -0.065 0.000 2.555 548 Y HA 0.279 4.830 4.550 0.001 0.000 0.326 548 Y C -2.125 173.767 175.900 -0.013 0.000 0.984 548 Y CA -2.695 55.367 58.100 -0.064 0.000 1.298 548 Y CB 1.744 40.134 38.460 -0.116 0.000 1.094 548 Y HN 0.064 nan 8.280 nan 0.000 0.500 549 P HA -0.157 nan 4.420 nan 0.000 0.222 549 P C 1.073 178.482 177.300 0.182 0.000 1.147 549 P CA 1.402 64.579 63.100 0.128 0.000 0.790 549 P CB 0.350 32.098 31.700 0.080 0.000 0.780 550 N N -0.309 118.444 118.700 0.087 0.000 2.515 550 N HA -0.071 4.670 4.740 0.001 0.000 0.185 550 N C 0.478 175.835 175.510 -0.255 0.000 1.109 550 N CA 0.234 53.210 53.050 -0.123 0.000 0.903 550 N CB -0.707 37.675 38.487 -0.174 0.000 0.969 550 N HN 0.141 nan 8.380 nan 0.000 0.450 551 L N 2.409 123.618 121.223 -0.024 0.000 2.485 551 L HA 0.096 4.437 4.340 0.001 0.000 0.279 551 L C 0.408 177.427 176.870 0.249 0.000 1.124 551 L CA 0.163 54.980 54.840 -0.038 0.000 0.888 551 L CB 0.077 42.062 42.059 -0.124 0.000 1.217 551 L HN 0.018 nan 8.230 nan 0.000 0.464 552 H N 3.546 122.671 119.070 0.090 0.000 2.592 552 H HA 0.554 5.111 4.556 0.001 0.000 0.265 552 H C 0.798 176.321 175.328 0.325 0.000 0.955 552 H CA 0.086 56.257 56.048 0.206 0.000 1.175 552 H CB 0.638 30.491 29.762 0.153 0.000 1.433 552 H HN 0.670 nan 8.280 nan 0.000 0.537 553 G N -0.111 108.904 108.800 0.358 0.000 2.349 553 G HA2 0.447 4.408 3.960 0.001 0.000 0.294 553 G HA3 0.447 4.408 3.960 0.001 0.000 0.294 553 G C -1.489 173.511 174.900 0.168 0.000 1.380 553 G CA -0.454 44.866 45.100 0.366 0.000 0.811 553 G HN 0.177 nan 8.290 nan 0.000 0.519 554 I N -2.909 117.814 120.570 0.255 0.000 2.865 554 I HA 0.904 5.075 4.170 0.001 0.000 0.302 554 I C -1.945 174.376 176.117 0.340 0.000 1.140 554 I CA -1.259 60.145 61.300 0.173 0.000 1.021 554 I CB 2.707 40.743 38.000 0.061 0.000 1.233 554 I HN 0.472 nan 8.210 nan 0.000 0.427 555 F N 3.440 123.402 119.950 0.021 0.000 2.547 555 F HA 0.703 5.230 4.527 0.001 0.000 0.316 555 F C -0.647 175.133 175.800 -0.033 0.000 1.121 555 F CA -0.666 57.339 58.000 0.008 0.000 0.911 555 F CB 2.068 41.067 39.000 -0.002 0.000 1.179 555 F HN 0.650 nan 8.300 nan 0.000 0.443 556 S N 4.051 119.533 115.700 -0.364 0.000 2.472 556 S HA 0.764 5.235 4.470 0.001 0.000 0.303 556 S C -0.948 173.247 174.600 -0.674 0.000 1.099 556 S CA -0.202 57.699 58.200 -0.498 0.000 1.077 556 S CB 1.271 64.141 63.200 -0.550 0.000 1.031 556 S HN 0.917 nan 8.310 nan 0.000 0.487 557 T N 3.050 117.325 114.554 -0.465 0.000 3.172 557 T HA 0.386 4.736 4.350 0.001 0.000 0.320 557 T C -1.336 173.360 174.700 -0.006 0.000 1.085 557 T CA -0.240 61.682 62.100 -0.297 0.000 1.052 557 T CB 0.776 69.282 68.868 -0.603 0.000 1.107 557 T HN 0.928 nan 8.240 nan 0.000 0.458 558 E N 3.406 123.714 120.200 0.181 0.000 2.937 558 E HA -0.158 4.193 4.350 0.001 0.000 0.152 558 E C -0.357 176.178 176.600 -0.109 0.000 1.769 558 E CA 0.366 56.843 56.400 0.128 0.000 0.688 558 E CB -0.699 29.096 29.700 0.159 0.000 1.091 558 E HN 0.699 nan 8.360 nan 0.000 0.362 559 N N 1.395 120.093 118.700 -0.004 0.000 2.159 559 N HA 0.004 4.745 4.740 0.001 0.000 0.217 559 N C 1.019 176.570 175.510 0.069 0.000 1.223 559 N CA 0.598 53.582 53.050 -0.110 0.000 0.896 559 N CB 0.138 38.699 38.487 0.123 0.000 1.064 559 N HN 0.512 nan 8.380 nan 0.000 0.518 560 Y N 0.517 121.040 120.300 0.372 0.000 2.315 560 Y HA -0.080 4.470 4.550 0.001 0.000 0.288 560 Y C 2.074 178.162 175.900 0.313 0.000 1.154 560 Y CA 0.603 58.931 58.100 0.380 0.000 1.229 560 Y CB -1.088 37.542 38.460 0.282 0.000 0.980 560 Y HN 0.159 nan 8.280 nan 0.000 0.540 561 W N 0.177 121.497 121.300 0.033 0.000 3.290 561 W HA 0.399 5.060 4.660 0.001 0.000 0.287 561 W C -0.273 176.321 176.519 0.126 0.000 1.288 561 W CA -0.315 57.101 57.345 0.118 0.000 1.725 561 W CB -0.157 29.307 29.460 0.006 0.000 1.103 561 W HN 0.193 nan 8.180 nan 0.000 0.670 562 I N 0.569 120.966 120.570 -0.289 0.000 2.878 562 I HA 0.250 4.421 4.170 0.001 0.000 0.286 562 I C -1.210 174.869 176.117 -0.064 0.000 1.593 562 I CA -1.726 59.409 61.300 -0.274 0.000 0.806 562 I CB -0.136 37.387 38.000 -0.795 0.000 1.811 562 I HN 0.129 nan 8.210 nan 0.000 0.593 563 W N 7.049 128.317 121.300 -0.054 0.000 2.290 563 W HA 0.584 5.245 4.660 0.001 0.000 0.408 563 W C 0.288 176.825 176.519 0.030 0.000 0.966 563 W CA -0.419 56.938 57.345 0.020 0.000 1.579 563 W CB 0.629 30.136 29.460 0.079 0.000 1.662 563 W HN 0.594 nan 8.180 nan 0.000 0.341 564 A N 3.972 126.674 122.820 -0.197 0.000 2.507 564 A HA -0.085 4.235 4.320 0.001 0.000 0.235 564 A C 1.316 178.821 177.584 -0.131 0.000 1.070 564 A CA 0.157 52.115 52.037 -0.131 0.000 0.768 564 A CB 0.412 19.332 19.000 -0.134 0.000 1.011 564 A HN 0.695 nan 8.150 nan 0.000 0.502 565 N N 0.838 119.513 118.700 -0.041 0.000 2.272 565 N HA -0.137 4.603 4.740 0.001 0.000 0.185 565 N C 0.489 175.971 175.510 -0.046 0.000 1.014 565 N CA 1.683 54.728 53.050 -0.009 0.000 0.870 565 N CB -0.004 38.488 38.487 0.010 0.000 0.975 565 N HN 0.808 nan 8.380 nan 0.000 0.433 566 D N -0.852 119.488 120.400 -0.099 0.000 2.501 566 D HA 0.060 4.701 4.640 0.001 0.000 0.224 566 D C 1.450 177.617 176.300 -0.223 0.000 1.202 566 D CA -0.336 53.589 54.000 -0.124 0.000 0.829 566 D CB -0.566 40.168 40.800 -0.110 0.000 1.023 566 D HN 0.187 nan 8.370 nan 0.000 0.499 567 I N 0.712 121.093 120.570 -0.315 0.000 2.194 567 I HA -0.345 3.826 4.170 0.001 0.000 0.246 567 I C 1.494 177.305 176.117 -0.509 0.000 1.093 567 I CA 1.701 62.676 61.300 -0.542 0.000 1.355 567 I CB 0.385 37.862 38.000 -0.873 0.000 1.046 567 I HN -0.164 nan 8.210 nan 0.000 0.413 568 E N 0.749 120.798 120.200 -0.253 0.000 2.072 568 E HA -0.163 4.188 4.350 0.001 0.000 0.190 568 E C 1.920 178.474 176.600 -0.077 0.000 0.982 568 E CA 1.096 57.454 56.400 -0.070 0.000 0.803 568 E CB -0.298 29.478 29.700 0.128 0.000 0.755 568 E HN 0.459 nan 8.360 nan 0.000 0.453 569 N N 0.710 119.345 118.700 -0.109 0.000 2.069 569 N HA -0.153 4.588 4.740 0.001 0.000 0.191 569 N C 1.444 176.797 175.510 -0.262 0.000 1.031 569 N CA 1.018 53.991 53.050 -0.128 0.000 0.852 569 N CB -0.075 38.340 38.487 -0.120 0.000 1.018 569 N HN 0.042 nan 8.380 nan 0.000 0.423 570 K N 0.883 121.037 120.400 -0.410 0.000 2.097 570 K HA 0.103 4.423 4.320 0.001 0.000 0.205 570 K C 1.969 178.018 176.600 -0.917 0.000 1.050 570 K CA 0.766 56.644 56.287 -0.682 0.000 0.938 570 K CB -0.433 31.666 32.500 -0.669 0.000 0.718 570 K HN 0.149 nan 8.250 nan 0.000 0.442 571 A N 1.716 124.114 122.820 -0.705 0.000 1.877 571 A HA -0.123 4.198 4.320 0.001 0.000 0.216 571 A C 2.447 179.921 177.584 -0.184 0.000 1.186 571 A CA 2.144 53.815 52.037 -0.610 0.000 0.620 571 A CB -0.691 17.828 19.000 -0.801 0.000 0.822 571 A HN 0.290 nan 8.150 nan 0.000 0.443 572 A N 0.189 123.050 122.820 0.067 0.000 1.892 572 A HA -0.274 4.047 4.320 0.001 0.000 0.218 572 A C 1.777 179.308 177.584 -0.088 0.000 1.188 572 A CA 2.160 54.276 52.037 0.131 0.000 0.631 572 A CB -0.720 18.344 19.000 0.107 0.000 0.822 572 A HN 0.492 nan 8.150 nan 0.000 0.447 573 D N -1.572 118.651 120.400 -0.295 0.000 2.144 573 D HA -0.104 4.537 4.640 0.001 0.000 0.200 573 D C 1.701 177.775 176.300 -0.377 0.000 0.978 573 D CA 1.192 54.988 54.000 -0.339 0.000 0.833 573 D CB -0.397 40.147 40.800 -0.427 0.000 0.961 573 D HN 0.592 nan 8.370 nan 0.000 0.470 574 Y N 0.553 120.587 120.300 -0.443 0.000 2.200 574 Y HA -0.071 4.479 4.550 0.001 0.000 0.290 574 Y C 2.210 177.829 175.900 -0.469 0.000 1.137 574 Y CA 0.187 57.925 58.100 -0.604 0.000 1.163 574 Y CB -0.821 36.868 38.460 -1.286 0.000 0.988 574 Y HN -0.036 nan 8.280 nan 0.000 0.518 575 L N 0.618 121.702 121.223 -0.232 0.000 2.056 575 L HA -0.129 4.212 4.340 0.001 0.000 0.207 575 L C 2.318 179.109 176.870 -0.132 0.000 1.078 575 L CA 1.827 56.720 54.840 0.088 0.000 0.749 575 L CB -0.725 41.571 42.059 0.395 0.000 0.901 575 L HN 0.112 nan 8.230 nan 0.000 0.433 576 K N -1.240 119.017 120.400 -0.239 0.000 2.025 576 K HA -0.150 4.171 4.320 0.001 0.000 0.207 576 K C 2.091 178.446 176.600 -0.410 0.000 1.049 576 K CA 1.625 57.593 56.287 -0.532 0.000 0.933 576 K CB -0.285 32.042 32.500 -0.288 0.000 0.714 576 K HN 0.262 nan 8.250 nan 0.000 0.438 577 V N 0.685 120.468 119.914 -0.218 0.000 2.515 577 V HA -0.197 3.924 4.120 0.001 0.000 0.250 577 V C 1.800 177.760 176.094 -0.224 0.000 1.058 577 V CA 2.110 64.325 62.300 -0.143 0.000 1.064 577 V CB -0.100 31.729 31.823 0.010 0.000 0.675 577 V HN 0.371 nan 8.190 nan 0.000 0.461 578 S N 0.264 115.859 115.700 -0.174 0.000 2.357 578 S HA -0.040 4.430 4.470 0.001 0.000 0.221 578 S C 2.162 176.509 174.600 -0.421 0.000 1.031 578 S CA 1.274 59.305 58.200 -0.281 0.000 0.982 578 S CB -0.478 62.763 63.200 0.068 0.000 0.853 578 S HN 0.780 nan 8.310 nan 0.000 0.458 579 A N 1.945 124.542 122.820 -0.371 0.000 1.933 579 A HA -0.164 4.156 4.320 0.001 0.000 0.218 579 A C 1.970 179.330 177.584 -0.373 0.000 1.175 579 A CA 2.019 53.822 52.037 -0.389 0.000 0.628 579 A CB -0.569 18.149 19.000 -0.470 0.000 0.814 579 A HN 0.522 nan 8.150 nan 0.000 0.444 580 K N -0.208 119.958 120.400 -0.389 0.000 2.209 580 K HA -0.121 4.199 4.320 0.001 0.000 0.204 580 K C 0.690 177.116 176.600 -0.290 0.000 1.048 580 K CA 1.905 58.018 56.287 -0.290 0.000 0.940 580 K CB -0.237 32.117 32.500 -0.244 0.000 0.729 580 K HN 0.541 nan 8.250 nan 0.000 0.451 581 N N -0.915 117.532 118.700 -0.422 0.000 2.204 581 N HA 0.176 4.916 4.740 0.001 0.000 0.219 581 N C -0.054 175.208 175.510 -0.413 0.000 1.151 581 N CA 0.369 53.154 53.050 -0.442 0.000 0.867 581 N CB 1.528 39.601 38.487 -0.690 0.000 1.043 581 N HN 0.340 nan 8.380 nan 0.000 0.516 582 G N 0.030 108.600 108.800 -0.384 0.000 2.187 582 G HA2 -0.251 3.710 3.960 0.001 0.000 0.261 582 G HA3 -0.251 3.710 3.960 0.001 0.000 0.261 582 G C 0.469 175.132 174.900 -0.394 0.000 1.000 582 G CA 0.278 45.164 45.100 -0.356 0.000 0.718 582 G HN 0.516 nan 8.290 nan 0.000 0.519 583 G N -1.561 106.968 108.800 -0.452 0.000 2.535 583 G HA2 0.616 4.577 3.960 0.001 0.000 0.303 583 G HA3 0.616 4.577 3.960 0.001 0.000 0.303 583 G C -0.721 174.051 174.900 -0.214 0.000 1.237 583 G CA -1.058 43.922 45.100 -0.200 0.000 0.986 583 G HN 0.253 nan 8.290 nan 0.000 0.494 584 Y N -0.930 119.472 120.300 0.170 0.000 2.377 584 Y HA 0.431 4.982 4.550 0.001 0.000 0.339 584 Y C -0.426 175.673 175.900 0.332 0.000 1.011 584 Y CA -0.671 57.551 58.100 0.202 0.000 1.093 584 Y CB 2.082 40.649 38.460 0.179 0.000 1.201 584 Y HN 0.396 nan 8.280 nan 0.000 0.455 585 F N 5.563 125.701 119.950 0.313 0.000 2.404 585 F HA 0.502 5.029 4.527 0.001 0.000 0.358 585 F C -1.068 174.926 175.800 0.323 0.000 1.120 585 F CA -1.690 56.478 58.000 0.280 0.000 1.144 585 F CB 0.190 39.344 39.000 0.256 0.000 1.133 585 F HN 0.196 nan 8.300 nan 0.000 0.495 586 I N 6.583 127.157 120.570 0.006 0.000 2.354 586 I HA 0.192 4.363 4.170 0.001 0.000 0.292 586 I C -1.076 174.934 176.117 -0.178 0.000 0.989 586 I CA -0.795 60.506 61.300 0.002 0.000 1.188 586 I CB 1.093 39.221 38.000 0.214 0.000 1.342 586 I HN 0.676 nan 8.210 nan 0.000 0.457 587 W N 6.821 127.803 121.300 -0.530 0.000 2.587 587 W HA 0.707 5.367 4.660 0.001 0.000 0.324 587 W C -1.076 175.360 176.519 -0.138 0.000 1.008 587 W CA -1.666 55.322 57.345 -0.595 0.000 1.265 587 W CB 1.791 30.560 29.460 -1.151 0.000 1.328 587 W HN 0.576 nan 8.180 nan 0.000 0.432 588 A N 4.445 127.514 122.820 0.415 0.000 2.260 588 A HA 0.663 4.983 4.320 0.001 0.000 0.308 588 A C -0.896 176.957 177.584 0.448 0.000 1.254 588 A CA -0.152 52.139 52.037 0.423 0.000 0.874 588 A CB 0.955 20.232 19.000 0.462 0.000 1.153 588 A HN 0.478 nan 8.150 nan 0.000 0.527 589 E N 0.944 121.397 120.200 0.423 0.000 2.366 589 E HA 0.529 4.880 4.350 0.001 0.000 0.278 589 E C -1.220 175.598 176.600 0.364 0.000 0.923 589 E CA -0.396 56.262 56.400 0.430 0.000 0.761 589 E CB 1.688 31.525 29.700 0.228 0.000 1.231 589 E HN 0.590 nan 8.360 nan 0.000 0.443 590 Q N 1.294 121.301 119.800 0.345 0.000 2.306 590 Q HA 0.460 4.801 4.340 0.001 0.000 0.265 590 Q C -0.441 175.568 176.000 0.015 0.000 1.022 590 Q CA -0.465 55.394 55.803 0.093 0.000 0.853 590 Q CB 1.347 29.997 28.738 -0.147 0.000 1.327 590 Q HN 0.436 nan 8.270 nan 0.000 0.449 591 N N 1.760 120.451 118.700 -0.015 0.000 2.530 591 N HA 0.009 4.750 4.740 0.001 0.000 0.216 591 N C -0.939 174.533 175.510 -0.064 0.000 1.315 591 N CA 0.100 53.143 53.050 -0.011 0.000 0.858 591 N CB -0.271 38.251 38.487 0.059 0.000 1.138 591 N HN 0.420 nan 8.380 nan 0.000 0.473 592 N N -0.048 118.579 118.700 -0.122 0.000 2.492 592 N HA 0.211 4.952 4.740 0.001 0.000 0.262 592 N C 0.929 176.437 175.510 -0.003 0.000 1.202 592 N CA 1.012 54.016 53.050 -0.078 0.000 0.926 592 N CB 0.499 38.912 38.487 -0.122 0.000 1.078 592 N HN 0.259 nan 8.380 nan 0.000 0.454 593 G N 1.453 110.252 108.800 -0.001 0.000 2.341 593 G HA2 -0.338 3.623 3.960 0.001 0.000 0.292 593 G HA3 -0.338 3.623 3.960 0.001 0.000 0.292 593 G C 0.258 175.088 174.900 -0.118 0.000 1.021 593 G CA 0.792 45.878 45.100 -0.023 0.000 0.905 593 G HN 0.814 nan 8.290 nan 0.000 0.508 594 S N -3.198 112.441 115.700 -0.101 0.000 3.490 594 S HA -0.262 4.209 4.470 0.001 0.000 0.301 594 S C 2.214 176.656 174.600 -0.264 0.000 1.233 594 S CA 1.494 59.619 58.200 -0.125 0.000 0.914 594 S CB -1.706 61.426 63.200 -0.114 0.000 1.047 594 S HN 2.269 nan 8.310 nan 0.000 0.602 595 A N 1.212 123.826 122.820 -0.343 0.000 1.908 595 A HA -0.113 4.208 4.320 0.001 0.000 0.218 595 A C 1.962 179.295 177.584 -0.418 0.000 1.181 595 A CA 1.818 53.432 52.037 -0.704 0.000 0.627 595 A CB -0.408 18.347 19.000 -0.409 0.000 0.818 595 A HN 0.572 nan 8.150 nan 0.000 0.445 596 I N 0.095 120.562 120.570 -0.171 0.000 2.252 596 I HA -0.201 3.970 4.170 0.001 0.000 0.245 596 I C 2.258 178.314 176.117 -0.100 0.000 1.102 596 I CA 1.532 62.749 61.300 -0.139 0.000 1.385 596 I CB -1.852 36.057 38.000 -0.151 0.000 1.064 596 I HN 0.470 nan 8.210 nan 0.000 0.414 597 E N 1.266 121.366 120.200 -0.167 0.000 2.051 597 E HA -0.215 4.136 4.350 0.001 0.000 0.192 597 E C 2.162 178.757 176.600 -0.008 0.000 0.991 597 E CA 1.255 57.575 56.400 -0.133 0.000 0.799 597 E CB -0.164 29.460 29.700 -0.126 0.000 0.748 597 E HN 0.480 nan 8.360 nan 0.000 0.449 598 K N 0.703 121.061 120.400 -0.069 0.000 2.057 598 K HA -0.115 4.206 4.320 0.001 0.000 0.207 598 K C 2.300 179.063 176.600 0.271 0.000 1.049 598 K CA 1.040 57.349 56.287 0.036 0.000 0.931 598 K CB -0.236 32.153 32.500 -0.185 0.000 0.714 598 K HN 0.078 nan 8.250 nan 0.000 0.440 599 A N 0.861 123.868 122.820 0.311 0.000 1.958 599 A HA -0.173 4.148 4.320 0.001 0.000 0.221 599 A C 1.649 179.339 177.584 0.176 0.000 1.178 599 A CA 1.515 53.768 52.037 0.360 0.000 0.642 599 A CB -0.617 18.436 19.000 0.087 0.000 0.816 599 A HN 0.270 nan 8.150 nan 0.000 0.453 600 F N -1.481 118.635 119.950 0.276 0.000 2.727 600 F HA 0.395 4.922 4.527 0.001 0.000 0.302 600 F C 1.721 177.610 175.800 0.148 0.000 1.097 600 F CA 0.727 58.861 58.000 0.223 0.000 1.330 600 F CB 0.559 39.585 39.000 0.043 0.000 1.084 600 F HN 0.372 nan 8.300 nan 0.000 0.578 601 G N -0.072 108.883 108.800 0.258 0.000 2.205 601 G HA2 -0.271 3.690 3.960 0.001 0.000 0.180 601 G HA3 -0.271 3.690 3.960 0.001 0.000 0.180 601 G C 1.271 176.248 174.900 0.128 0.000 1.004 601 G CA 0.240 45.452 45.100 0.188 0.000 0.670 601 G HN 0.283 nan 8.290 nan 0.000 0.496 602 K N 0.347 120.807 120.400 0.099 0.000 2.071 602 K HA -0.201 4.119 4.320 0.001 0.000 0.217 602 K C 1.475 178.105 176.600 0.051 0.000 1.054 602 K CA 2.016 58.329 56.287 0.044 0.000 0.937 602 K CB -0.158 32.343 32.500 0.002 0.000 0.719 602 K HN 0.333 nan 8.250 nan 0.000 0.454 603 N N -0.765 117.979 118.700 0.073 0.000 2.295 603 N HA 0.106 4.846 4.740 0.001 0.000 0.221 603 N C 0.317 175.879 175.510 0.088 0.000 1.129 603 N CA 0.872 53.966 53.050 0.074 0.000 0.836 603 N CB 1.162 39.697 38.487 0.079 0.000 1.040 603 N HN 0.538 nan 8.380 nan 0.000 0.494 604 G N 0.358 109.213 108.800 0.092 0.000 2.176 604 G HA2 -0.264 3.696 3.960 0.001 0.000 0.232 604 G HA3 -0.264 3.696 3.960 0.001 0.000 0.232 604 G C 0.089 175.049 174.900 0.100 0.000 0.986 604 G CA -0.318 44.834 45.100 0.086 0.000 0.643 604 G HN 0.243 nan 8.290 nan 0.000 0.522 605 K N 1.164 121.641 120.400 0.129 0.000 2.257 605 K HA 0.582 4.903 4.320 0.001 0.000 0.270 605 K C 1.481 178.174 176.600 0.154 0.000 1.098 605 K CA -0.251 56.117 56.287 0.135 0.000 0.943 605 K CB 0.222 32.818 32.500 0.160 0.000 1.316 605 K HN 0.515 nan 8.250 nan 0.000 0.447 606 I N -0.788 119.860 120.570 0.130 0.000 3.928 606 I HA 0.240 4.410 4.170 0.001 0.000 0.335 606 I C 1.337 177.541 176.117 0.144 0.000 1.325 606 I CA -0.054 61.332 61.300 0.143 0.000 1.107 606 I CB 0.610 38.679 38.000 0.114 0.000 1.014 606 I HN 0.340 nan 8.210 nan 0.000 0.400 607 A N 1.825 124.727 122.820 0.137 0.000 1.908 607 A HA -0.211 4.109 4.320 0.001 0.000 0.218 607 A C 2.095 179.790 177.584 0.185 0.000 1.181 607 A CA 1.708 53.821 52.037 0.126 0.000 0.627 607 A CB -0.880 18.172 19.000 0.087 0.000 0.818 607 A HN 0.591 nan 8.150 nan 0.000 0.445 608 F N 0.335 120.331 119.950 0.076 0.000 2.206 608 F HA -0.092 4.436 4.527 0.001 0.000 0.298 608 F C 2.430 178.311 175.800 0.134 0.000 1.090 608 F CA 1.795 59.855 58.000 0.099 0.000 1.323 608 F CB -0.406 38.655 39.000 0.103 0.000 1.028 608 F HN 0.399 nan 8.300 nan 0.000 0.492 609 Q N 0.721 120.601 119.800 0.134 0.000 2.045 609 Q HA -0.273 4.068 4.340 0.001 0.000 0.206 609 Q C 2.181 178.248 176.000 0.111 0.000 0.991 609 Q CA 2.217 58.130 55.803 0.183 0.000 0.851 609 Q CB -0.197 28.693 28.738 0.253 0.000 0.911 609 Q HN 0.406 nan 8.270 nan 0.000 0.418 610 K N -0.202 120.252 120.400 0.091 0.000 2.097 610 K HA -0.118 4.203 4.320 0.001 0.000 0.206 610 K C 2.320 178.934 176.600 0.023 0.000 1.049 610 K CA 1.271 57.592 56.287 0.057 0.000 0.933 610 K CB -0.198 32.336 32.500 0.056 0.000 0.717 610 K HN 0.106 nan 8.250 nan 0.000 0.442 611 S N 0.559 116.278 115.700 0.031 0.000 2.368 611 S HA -0.085 4.385 4.470 0.001 0.000 0.224 611 S C 2.006 176.637 174.600 0.053 0.000 1.029 611 S CA 0.804 59.053 58.200 0.082 0.000 0.988 611 S CB -0.061 63.233 63.200 0.156 0.000 0.838 611 S HN 0.057 nan 8.310 nan 0.000 0.462 612 V N 2.417 122.301 119.914 -0.050 0.000 2.343 612 V HA -0.147 3.973 4.120 0.001 0.000 0.247 612 V C 2.194 178.416 176.094 0.213 0.000 1.051 612 V CA 2.059 64.417 62.300 0.097 0.000 1.036 612 V CB -0.822 31.067 31.823 0.111 0.000 0.654 612 V HN 0.453 nan 8.190 nan 0.000 0.451 613 D N 0.098 120.570 120.400 0.120 0.000 2.172 613 D HA -0.199 4.442 4.640 0.001 0.000 0.196 613 D C 2.231 178.573 176.300 0.070 0.000 0.999 613 D CA 1.518 55.565 54.000 0.078 0.000 0.856 613 D CB -0.114 40.703 40.800 0.029 0.000 0.934 613 D HN 0.476 nan 8.370 nan 0.000 0.453 614 K N -0.975 119.362 120.400 -0.105 0.000 2.099 614 K HA -0.009 4.311 4.320 0.001 0.000 0.203 614 K C 0.937 177.339 176.600 -0.330 0.000 1.047 614 K CA 0.558 56.610 56.287 -0.391 0.000 0.963 614 K CB 0.202 32.094 32.500 -1.013 0.000 0.759 614 K HN 0.197 nan 8.250 nan 0.000 0.451 615 Y N 0.153 120.525 120.300 0.120 0.000 2.660 615 Y HA 0.057 4.608 4.550 0.001 0.000 0.254 615 Y C 1.284 177.233 175.900 0.080 0.000 1.176 615 Y CA -1.417 56.703 58.100 0.034 0.000 1.195 615 Y CB -0.424 38.053 38.460 0.028 0.000 1.190 615 Y HN 0.247 nan 8.280 nan 0.000 0.535 616 W N 1.006 122.421 121.300 0.191 0.000 2.331 616 W HA -0.195 4.466 4.660 0.001 0.000 0.291 616 W C 0.741 177.439 176.519 0.298 0.000 1.214 616 W CA 1.131 58.628 57.345 0.253 0.000 1.228 616 W CB -0.689 28.897 29.460 0.211 0.000 1.135 616 W HN 0.120 nan 8.180 nan 0.000 0.537 617 K N 0.743 120.789 120.400 -0.590 0.000 2.442 617 K HA -0.091 4.230 4.320 0.001 0.000 0.198 617 K C 1.185 177.558 176.600 -0.377 0.000 1.044 617 K CA 1.159 57.059 56.287 -0.644 0.000 0.948 617 K CB -0.268 31.691 32.500 -0.903 0.000 0.762 617 K HN 0.300 nan 8.250 nan 0.000 0.472 618 N N 0.626 119.250 118.700 -0.127 0.000 2.214 618 N HA 0.023 4.763 4.740 0.001 0.000 0.214 618 N C -0.657 175.021 175.510 0.282 0.000 1.132 618 N CA -0.079 52.896 53.050 -0.124 0.000 0.856 618 N CB 0.587 38.945 38.487 -0.215 0.000 1.020 618 N HN 0.016 nan 8.380 nan 0.000 0.509 619 L N 1.980 123.471 121.223 0.446 0.000 2.295 619 L HA 0.459 4.800 4.340 0.001 0.000 0.285 619 L C -0.832 176.381 176.870 0.572 0.000 1.035 619 L CA -0.391 54.773 54.840 0.541 0.000 0.806 619 L CB 0.879 43.304 42.059 0.611 0.000 1.214 619 L HN -0.106 nan 8.230 nan 0.000 0.426 620 I N 5.661 126.484 120.570 0.421 0.000 2.389 620 I HA 0.301 4.472 4.170 0.001 0.000 0.288 620 I C -0.733 175.561 176.117 0.295 0.000 0.999 620 I CA -0.259 61.253 61.300 0.353 0.000 1.129 620 I CB 1.148 39.271 38.000 0.205 0.000 1.288 620 I HN 0.534 nan 8.210 nan 0.000 0.444 621 F N 6.506 126.659 119.950 0.339 0.000 2.458 621 F HA 0.609 5.137 4.527 0.001 0.000 0.336 621 F C -0.131 175.828 175.800 0.264 0.000 1.114 621 F CA -0.597 57.587 58.000 0.306 0.000 0.987 621 F CB 1.655 40.873 39.000 0.363 0.000 1.130 621 F HN 0.293 nan 8.300 nan 0.000 0.458 622 M N 5.658 125.611 119.600 0.587 0.000 2.530 622 M HA 0.366 4.846 4.480 0.001 0.000 0.307 622 M C -0.857 175.656 176.300 0.354 0.000 1.161 622 M CA -1.062 54.427 55.300 0.314 0.000 0.903 622 M CB 2.122 34.804 32.600 0.138 0.000 1.711 622 M HN 0.450 nan 8.290 nan 0.000 0.451 623 F N 0.040 120.179 119.950 0.315 0.000 2.435 623 F HA 0.589 5.117 4.527 0.001 0.000 0.316 623 F C -0.300 175.643 175.800 0.239 0.000 1.220 623 F CA -0.685 57.455 58.000 0.233 0.000 1.241 623 F CB 0.348 39.450 39.000 0.170 0.000 1.234 623 F HN 0.469 nan 8.300 nan 0.000 0.569 624 K N 1.607 122.353 120.400 0.576 0.000 2.656 624 K HA 0.185 4.506 4.320 0.001 0.000 0.241 624 K C -0.336 176.519 176.600 0.425 0.000 0.967 624 K CA -0.579 56.000 56.287 0.487 0.000 0.946 624 K CB 0.464 33.235 32.500 0.451 0.000 1.164 624 K HN 0.827 nan 8.250 nan 0.000 0.459 625 N N 2.195 121.159 118.700 0.440 0.000 2.449 625 N HA -0.071 4.670 4.740 0.001 0.000 0.191 625 N C 0.500 176.136 175.510 0.210 0.000 1.161 625 N CA 0.346 53.535 53.050 0.231 0.000 0.863 625 N CB 0.159 38.712 38.487 0.112 0.000 0.980 625 N HN 0.376 nan 8.380 nan 0.000 0.458 626 T N 1.258 115.983 114.554 0.285 0.000 2.620 626 T HA -0.120 4.231 4.350 0.001 0.000 0.267 626 T C -1.462 173.381 174.700 0.239 0.000 1.044 626 T CA 1.594 63.879 62.100 0.309 0.000 1.161 626 T CB -1.329 67.753 68.868 0.358 0.000 0.862 626 T HN 0.458 nan 8.240 nan 0.000 0.438 627 P HA 0.439 nan 4.420 nan 0.000 0.220 627 P C 0.239 177.551 177.300 0.019 0.000 1.806 627 P CA 0.063 63.206 63.100 0.072 0.000 0.976 627 P CB -0.167 31.463 31.700 -0.117 0.000 1.952 628 A N 1.931 124.790 122.820 0.065 0.000 2.067 628 A HA -0.018 4.302 4.320 0.001 0.000 0.219 628 A C 2.196 179.773 177.584 -0.012 0.000 1.158 628 A CA 1.505 53.556 52.037 0.024 0.000 0.661 628 A CB -0.898 18.139 19.000 0.062 0.000 0.801 628 A HN 0.373 nan 8.150 nan 0.000 0.452 629 A N -0.180 122.635 122.820 -0.008 0.000 2.015 629 A HA -0.069 4.251 4.320 0.001 0.000 0.219 629 A C 1.717 179.281 177.584 -0.032 0.000 1.163 629 A CA 1.671 53.691 52.037 -0.029 0.000 0.646 629 A CB -0.291 18.689 19.000 -0.033 0.000 0.806 629 A HN 0.472 nan 8.150 nan 0.000 0.448 630 E N -0.970 119.210 120.200 -0.035 0.000 2.481 630 E HA 0.264 4.615 4.350 0.001 0.000 0.195 630 E C 1.240 177.804 176.600 -0.061 0.000 1.047 630 E CA 0.613 56.987 56.400 -0.044 0.000 0.867 630 E CB -0.300 29.372 29.700 -0.047 0.000 0.858 630 E HN 0.658 nan 8.360 nan 0.000 0.513 631 G N 1.344 110.103 108.800 -0.068 0.000 2.258 631 G HA2 -0.402 3.559 3.960 0.001 0.000 0.274 631 G HA3 -0.402 3.559 3.960 0.001 0.000 0.274 631 G C 0.298 175.132 174.900 -0.110 0.000 1.021 631 G CA 0.680 45.730 45.100 -0.082 0.000 0.798 631 G HN 0.402 nan 8.290 nan 0.000 0.507 632 N N -0.118 118.505 118.700 -0.127 0.000 2.362 632 N HA 0.245 4.986 4.740 0.001 0.000 0.204 632 N C 1.279 176.673 175.510 -0.193 0.000 1.166 632 N CA 0.285 53.241 53.050 -0.157 0.000 0.831 632 N CB 0.133 38.534 38.487 -0.142 0.000 1.008 632 N HN 0.440 nan 8.380 nan 0.000 0.472 633 D N -0.038 120.238 120.400 -0.207 0.000 2.084 633 D HA -0.188 4.452 4.640 0.001 0.000 0.194 633 D C 2.099 178.207 176.300 -0.320 0.000 0.990 633 D CA 1.529 55.354 54.000 -0.292 0.000 0.826 633 D CB -0.143 40.473 40.800 -0.306 0.000 0.971 633 D HN 0.248 nan 8.370 nan 0.000 0.453 634 S N -0.344 115.191 115.700 -0.276 0.000 2.387 634 S HA -0.159 4.312 4.470 0.001 0.000 0.226 634 S C 2.092 176.497 174.600 -0.325 0.000 1.026 634 S CA 1.656 59.709 58.200 -0.246 0.000 0.972 634 S CB -1.001 62.105 63.200 -0.157 0.000 0.814 634 S HN 0.410 nan 8.310 nan 0.000 0.477 635 T N -0.464 113.838 114.554 -0.420 0.000 2.851 635 T HA -0.033 4.318 4.350 0.001 0.000 0.262 635 T C 1.919 176.280 174.700 -0.565 0.000 1.043 635 T CA 1.536 63.150 62.100 -0.809 0.000 1.140 635 T CB -1.351 66.941 68.868 -0.960 0.000 0.872 635 T HN 0.402 nan 8.240 nan 0.000 0.446 636 T N 1.845 116.218 114.554 -0.302 0.000 2.777 636 T HA -0.053 4.297 4.350 0.001 0.000 0.266 636 T C 1.864 176.527 174.700 -0.061 0.000 1.040 636 T CA 1.566 63.606 62.100 -0.100 0.000 1.141 636 T CB -0.335 68.527 68.868 -0.010 0.000 0.868 636 T HN 0.632 nan 8.240 nan 0.000 0.444 637 E N 0.803 120.925 120.200 -0.130 0.000 2.077 637 E HA -0.146 4.204 4.350 0.001 0.000 0.193 637 E C 2.403 178.867 176.600 -0.228 0.000 0.989 637 E CA 1.205 57.564 56.400 -0.069 0.000 0.800 637 E CB -0.226 29.435 29.700 -0.064 0.000 0.746 637 E HN 0.363 nan 8.360 nan 0.000 0.452 638 S N -0.908 114.640 115.700 -0.253 0.000 2.365 638 S HA -0.220 4.251 4.470 0.001 0.000 0.225 638 S C 1.850 176.342 174.600 -0.180 0.000 1.039 638 S CA 1.465 59.517 58.200 -0.246 0.000 1.033 638 S CB -0.455 62.632 63.200 -0.189 0.000 0.887 638 S HN 0.429 nan 8.310 nan 0.000 0.447 639 Y N 1.321 121.535 120.300 -0.144 0.000 2.181 639 Y HA -0.008 4.542 4.550 0.001 0.000 0.288 639 Y C 2.638 178.374 175.900 -0.275 0.000 1.146 639 Y CA 0.960 58.939 58.100 -0.201 0.000 1.164 639 Y CB -0.792 37.563 38.460 -0.175 0.000 0.982 639 Y HN 0.284 nan 8.280 nan 0.000 0.515 640 M N 0.018 119.541 119.600 -0.129 0.000 2.080 640 M HA -0.234 4.247 4.480 0.001 0.000 0.260 640 M C 2.201 178.168 176.300 -0.556 0.000 1.068 640 M CA 1.547 56.712 55.300 -0.225 0.000 1.109 640 M CB -1.185 31.360 32.600 -0.092 0.000 1.342 640 M HN 0.191 nan 8.290 nan 0.000 0.405 641 K N -0.125 119.735 120.400 -0.900 0.000 2.026 641 K HA -0.120 4.200 4.320 0.001 0.000 0.208 641 K C 2.047 178.566 176.600 -0.135 0.000 1.048 641 K CA 1.665 57.493 56.287 -0.765 0.000 0.929 641 K CB -0.385 31.777 32.500 -0.564 0.000 0.713 641 K HN 0.390 nan 8.250 nan 0.000 0.439 642 G N 1.184 109.893 108.800 -0.151 0.000 2.408 642 G HA2 -0.203 3.758 3.960 0.001 0.000 0.217 642 G HA3 -0.203 3.758 3.960 0.001 0.000 0.217 642 G C 1.506 176.523 174.900 0.195 0.000 1.150 642 G CA 0.610 45.696 45.100 -0.023 0.000 0.776 642 G HN 0.203 nan 8.290 nan 0.000 0.542 643 L N -1.168 120.095 121.223 0.066 0.000 2.042 643 L HA -0.079 4.262 4.340 0.001 0.000 0.210 643 L C 2.606 179.650 176.870 0.290 0.000 1.076 643 L CA 1.407 56.315 54.840 0.113 0.000 0.749 643 L CB -0.396 41.666 42.059 0.005 0.000 0.893 643 L HN 0.451 nan 8.230 nan 0.000 0.432 644 W N 0.907 122.279 121.300 0.119 0.000 2.378 644 W HA -0.171 4.490 4.660 0.001 0.000 0.313 644 W C 2.222 178.833 176.519 0.154 0.000 1.197 644 W CA 1.245 58.718 57.345 0.214 0.000 1.304 644 W CB -0.410 29.237 29.460 0.313 0.000 1.148 644 W HN -0.065 nan 8.180 nan 0.000 0.494 645 L N 1.131 122.367 121.223 0.021 0.000 2.191 645 L HA -0.181 4.160 4.340 0.001 0.000 0.212 645 L C 2.267 179.033 176.870 -0.173 0.000 1.103 645 L CA 1.739 56.466 54.840 -0.187 0.000 0.769 645 L CB -0.951 41.173 42.059 0.108 0.000 0.908 645 L HN 0.162 nan 8.230 nan 0.000 0.438 646 S N -2.114 113.550 115.700 -0.061 0.000 2.572 646 S HA 0.091 4.562 4.470 0.001 0.000 0.228 646 S C 0.569 174.919 174.600 -0.418 0.000 0.963 646 S CA -0.404 57.692 58.200 -0.174 0.000 0.939 646 S CB -0.045 63.172 63.200 0.029 0.000 0.804 646 S HN 0.454 nan 8.310 nan 0.000 0.480 647 N N 1.815 120.230 118.700 -0.476 0.000 2.747 647 N HA -0.160 4.581 4.740 0.001 0.000 0.249 647 N C -0.119 174.795 175.510 -0.994 0.000 1.107 647 N CA 1.062 53.508 53.050 -1.006 0.000 0.707 647 N CB -2.118 35.474 38.487 -1.493 0.000 1.054 647 N HN 0.670 nan 8.380 nan 0.000 0.555 648 H N -1.690 117.266 119.070 -0.189 0.000 2.551 648 H HA 0.217 4.774 4.556 0.001 0.000 0.271 648 H C 0.718 176.312 175.328 0.442 0.000 0.984 648 H CA 1.024 57.111 56.048 0.064 0.000 1.164 648 H CB 1.134 30.851 29.762 -0.074 0.000 1.437 648 H HN 0.266 nan 8.280 nan 0.000 0.550 649 T N -1.290 113.645 114.554 0.635 0.000 2.889 649 T HA 0.103 4.453 4.350 0.001 0.000 0.315 649 T C -0.034 175.257 174.700 0.986 0.000 1.291 649 T CA -0.645 61.956 62.100 0.834 0.000 1.028 649 T CB 1.255 70.607 68.868 0.805 0.000 1.235 649 T HN 0.023 nan 8.240 nan 0.000 0.491 650 Y N 2.601 123.375 120.300 0.790 0.000 2.184 650 Y HA 0.326 4.876 4.550 0.001 0.000 0.290 650 Y C 0.945 177.291 175.900 0.743 0.000 1.129 650 Y CA 1.374 59.902 58.100 0.714 0.000 1.144 650 Y CB 0.350 39.087 38.460 0.460 0.000 0.995 650 Y HN 0.533 nan 8.280 nan 0.000 0.513 651 Q N -1.060 119.034 119.800 0.490 0.000 2.615 651 Q HA 0.248 4.588 4.340 0.001 0.000 0.298 651 Q C -1.192 174.930 176.000 0.203 0.000 1.023 651 Q CA -0.664 55.195 55.803 0.094 0.000 0.768 651 Q CB 2.068 30.735 28.738 -0.118 0.000 1.500 651 Q HN 0.446 nan 8.270 nan 0.000 0.441 652 W N -0.910 120.220 121.300 -0.283 0.000 3.032 652 W HA 0.854 5.515 4.660 0.001 0.000 0.341 652 W C -1.042 175.335 176.519 -0.236 0.000 1.202 652 W CA -0.629 56.644 57.345 -0.120 0.000 1.132 652 W CB 1.045 30.480 29.460 -0.041 0.000 1.465 652 W HN 0.761 nan 8.180 nan 0.000 0.576 653 G N -0.342 108.394 108.800 -0.107 0.000 2.578 653 G HA2 0.608 4.569 3.960 0.001 0.000 0.302 653 G HA3 0.608 4.569 3.960 0.001 0.000 0.302 653 G C -1.513 173.082 174.900 -0.508 0.000 1.243 653 G CA -0.111 44.651 45.100 -0.563 0.000 0.843 653 G HN 1.056 nan 8.290 nan 0.000 0.486 654 G N -0.961 107.316 108.800 -0.871 0.000 2.719 654 G HA2 0.615 4.576 3.960 0.001 0.000 0.298 654 G HA3 0.615 4.576 3.960 0.001 0.000 0.298 654 G C -1.704 172.708 174.900 -0.813 0.000 1.411 654 G CA -0.565 43.535 45.100 -1.667 0.000 0.991 654 G HN 0.925 nan 8.290 nan 0.000 0.509 655 L N 1.958 122.904 121.223 -0.462 0.000 2.280 655 L HA 0.725 5.066 4.340 0.001 0.000 0.287 655 L C -0.235 176.691 176.870 0.094 0.000 1.023 655 L CA -0.826 53.942 54.840 -0.120 0.000 0.819 655 L CB 1.019 43.160 42.059 0.138 0.000 1.212 655 L HN 0.494 nan 8.230 nan 0.000 0.420 656 M N 4.966 124.552 119.600 -0.022 0.000 2.180 656 M HA 0.339 4.819 4.480 0.001 0.000 0.350 656 M C -1.043 175.433 176.300 0.293 0.000 1.125 656 M CA -0.247 55.177 55.300 0.206 0.000 1.031 656 M CB 1.367 34.064 32.600 0.162 0.000 1.623 656 M HN 0.404 nan 8.290 nan 0.000 0.451 657 D N 1.138 121.741 120.400 0.340 0.000 2.593 657 D HA 0.214 4.855 4.640 0.001 0.000 0.251 657 D C 0.808 177.344 176.300 0.394 0.000 1.140 657 D CA -0.365 53.866 54.000 0.384 0.000 0.855 657 D CB 1.611 42.654 40.800 0.404 0.000 1.267 657 D HN 0.708 nan 8.370 nan 0.000 0.532 658 T N 0.253 115.030 114.554 0.372 0.000 3.051 658 T HA -0.095 4.255 4.350 0.001 0.000 0.269 658 T C 1.547 176.484 174.700 0.395 0.000 1.127 658 T CA 0.400 62.709 62.100 0.349 0.000 1.107 658 T CB -0.412 68.665 68.868 0.349 0.000 0.898 658 T HN 0.488 nan 8.240 nan 0.000 0.517 659 W N 2.833 124.350 121.300 0.361 0.000 2.632 659 W HA 0.057 4.718 4.660 0.001 0.000 0.248 659 W C 2.336 179.098 176.519 0.406 0.000 1.259 659 W CA 0.545 58.119 57.345 0.382 0.000 1.288 659 W CB -0.092 29.521 29.460 0.256 0.000 1.136 659 W HN 0.461 nan 8.180 nan 0.000 0.640 660 K N -0.507 120.215 120.400 0.537 0.000 2.147 660 K HA -0.239 4.082 4.320 0.001 0.000 0.205 660 K C 1.886 178.719 176.600 0.389 0.000 1.049 660 K CA 1.289 57.815 56.287 0.398 0.000 0.936 660 K CB -1.231 31.452 32.500 0.305 0.000 0.722 660 K HN 0.254 nan 8.250 nan 0.000 0.446 661 W N 1.238 122.681 121.300 0.238 0.000 2.402 661 W HA -0.217 4.444 4.660 0.001 0.000 0.286 661 W C 1.843 178.508 176.519 0.243 0.000 1.221 661 W CA 1.296 58.748 57.345 0.179 0.000 1.257 661 W CB -0.136 29.403 29.460 0.131 0.000 1.120 661 W HN 0.195 nan 8.180 nan 0.000 0.551 662 Y N 1.698 122.250 120.300 0.420 0.000 2.153 662 Y HA -0.191 4.359 4.550 0.001 0.000 0.289 662 Y C 2.391 178.436 175.900 0.241 0.000 1.127 662 Y CA 2.139 60.456 58.100 0.361 0.000 1.131 662 Y CB -0.843 37.955 38.460 0.563 0.000 0.995 662 Y HN -0.243 nan 8.280 nan 0.000 0.505 663 E N -0.154 120.165 120.200 0.199 0.000 2.130 663 E HA -0.197 4.154 4.350 0.001 0.000 0.196 663 E C 2.022 178.584 176.600 -0.063 0.000 0.998 663 E CA 2.028 58.426 56.400 -0.003 0.000 0.806 663 E CB -0.698 29.098 29.700 0.161 0.000 0.738 663 E HN 0.695 nan 8.360 nan 0.000 0.459 664 T N -3.339 111.194 114.554 -0.034 0.000 3.107 664 T HA 0.323 4.674 4.350 0.001 0.000 0.249 664 T C 1.344 175.956 174.700 -0.147 0.000 1.096 664 T CA 0.572 62.610 62.100 -0.103 0.000 1.012 664 T CB 0.360 69.147 68.868 -0.135 0.000 0.977 664 T HN 0.225 nan 8.240 nan 0.000 0.527 665 G N 1.622 110.345 108.800 -0.129 0.000 2.176 665 G HA2 -0.258 3.703 3.960 0.001 0.000 0.252 665 G HA3 -0.258 3.703 3.960 0.001 0.000 0.252 665 G C -0.077 174.758 174.900 -0.108 0.000 1.024 665 G CA 0.106 45.144 45.100 -0.105 0.000 0.755 665 G HN 0.654 nan 8.290 nan 0.000 0.507 666 K N -0.505 119.747 120.400 -0.247 0.000 2.168 666 K HA 0.548 4.869 4.320 0.001 0.000 0.258 666 K C 1.114 177.678 176.600 -0.059 0.000 1.010 666 K CA -0.011 56.039 56.287 -0.395 0.000 0.929 666 K CB 0.870 32.561 32.500 -1.350 0.000 0.998 666 K HN 0.515 nan 8.250 nan 0.000 0.479 667 W N 1.142 122.205 121.300 -0.396 0.000 4.285 667 W HA 0.322 4.982 4.660 0.001 0.000 0.616 667 W C -0.577 175.386 176.519 -0.926 0.000 3.207 667 W CA -0.429 56.357 57.345 -0.931 0.000 1.091 667 W CB -0.705 27.994 29.460 -1.267 0.000 2.330 667 W HN 0.322 nan 8.180 nan 0.000 0.441 668 K N 1.879 121.195 120.400 -1.807 0.000 2.524 668 K HA 0.100 4.421 4.320 0.001 0.000 0.279 668 K C -0.039 176.112 176.600 -0.750 0.000 0.993 668 K CA -0.307 55.212 56.287 -1.281 0.000 1.030 668 K CB 0.394 32.158 32.500 -1.226 0.000 0.891 668 K HN 0.317 nan 8.250 nan 0.000 0.488 669 L N 6.256 127.225 121.223 -0.424 0.000 2.578 669 L HA -0.064 4.277 4.340 0.001 0.000 0.279 669 L C -0.183 176.461 176.870 -0.376 0.000 1.227 669 L CA 1.141 55.730 54.840 -0.419 0.000 0.900 669 L CB -0.651 41.060 42.059 -0.581 0.000 1.144 669 L HN 0.913 nan 8.230 nan 0.000 0.496 670 F N 1.247 121.144 119.950 -0.088 0.000 2.825 670 F HA -0.282 4.246 4.527 0.001 0.000 0.358 670 F C 1.098 176.772 175.800 -0.210 0.000 0.639 670 F CA 0.642 58.579 58.000 -0.106 0.000 1.153 670 F CB -2.497 36.469 39.000 -0.056 0.000 1.610 670 F HN 0.683 nan 8.300 nan 0.000 0.305 671 A N 0.077 122.722 122.820 -0.293 0.000 2.346 671 A HA 0.568 4.889 4.320 0.001 0.000 0.252 671 A C 0.785 178.264 177.584 -0.174 0.000 1.089 671 A CA 0.599 52.384 52.037 -0.420 0.000 0.797 671 A CB 0.497 18.760 19.000 -1.229 0.000 1.047 671 A HN 0.355 nan 8.150 nan 0.000 0.494 672 S N -0.597 115.115 115.700 0.020 0.000 2.585 672 S HA 0.617 5.088 4.470 0.001 0.000 0.277 672 S C 0.299 175.076 174.600 0.296 0.000 1.241 672 S CA 0.666 58.937 58.200 0.119 0.000 1.041 672 S CB 0.313 63.573 63.200 0.100 0.000 0.987 672 S HN 2.565 nan 8.310 nan 0.000 0.512 673 G N 3.178 112.089 108.800 0.185 0.000 2.719 673 G HA2 -0.133 3.828 3.960 0.001 0.000 0.686 673 G HA3 -0.133 3.828 3.960 0.001 0.000 0.686 673 G C -0.994 173.996 174.900 0.151 0.000 1.201 673 G CA -0.715 44.474 45.100 0.148 0.000 0.768 673 G HN 0.808 nan 8.290 nan 0.000 0.629 674 N N 0.181 118.889 118.700 0.013 0.000 2.372 674 N HA 0.527 5.267 4.740 0.001 0.000 0.291 674 N C 1.371 176.818 175.510 -0.104 0.000 1.024 674 N CA -0.394 52.641 53.050 -0.025 0.000 0.873 674 N CB 1.394 39.855 38.487 -0.044 0.000 1.206 674 N HN 0.986 nan 8.380 nan 0.000 0.486 675 I N 0.353 120.850 120.570 -0.122 0.000 3.956 675 I HA 0.409 4.579 4.170 0.001 0.000 0.333 675 I C 1.006 177.073 176.117 -0.084 0.000 1.302 675 I CA -0.248 60.959 61.300 -0.156 0.000 1.122 675 I CB -0.119 37.753 38.000 -0.213 0.000 1.013 675 I HN 0.590 nan 8.210 nan 0.000 0.405 676 G N 2.710 111.461 108.800 -0.082 0.000 2.601 676 G HA2 -0.307 3.653 3.960 0.001 0.000 0.261 676 G HA3 -0.307 3.653 3.960 0.001 0.000 0.261 676 G C -0.177 174.648 174.900 -0.126 0.000 1.289 676 G CA 0.094 45.135 45.100 -0.099 0.000 0.920 676 G HN 0.500 nan 8.290 nan 0.000 0.571 677 K N 1.137 121.418 120.400 -0.198 0.000 2.518 677 K HA 0.422 4.743 4.320 0.001 0.000 0.244 677 K C 1.090 177.711 176.600 0.035 0.000 1.232 677 K CA 0.495 56.531 56.287 -0.418 0.000 1.189 677 K CB 0.244 32.357 32.500 -0.644 0.000 1.737 677 K HN 0.632 nan 8.250 nan 0.000 0.333 678 S N -0.569 115.230 115.700 0.166 0.000 2.604 678 S HA 0.082 4.553 4.470 0.001 0.000 0.235 678 S C 0.714 175.447 174.600 0.222 0.000 1.043 678 S CA -0.423 57.880 58.200 0.173 0.000 0.997 678 S CB 0.477 63.720 63.200 0.073 0.000 0.956 678 S HN 0.230 nan 8.310 nan 0.000 0.535 679 Q N 1.011 121.006 119.800 0.325 0.000 2.409 679 Q HA 0.365 4.706 4.340 0.001 0.000 0.345 679 Q C 1.177 177.305 176.000 0.214 0.000 0.847 679 Q CA 0.223 56.164 55.803 0.230 0.000 1.092 679 Q CB 0.551 29.462 28.738 0.288 0.000 1.377 679 Q HN 0.463 nan 8.270 nan 0.000 0.399 680 G N 1.463 110.428 108.800 0.275 0.000 2.624 680 G HA2 -0.303 3.658 3.960 0.001 0.000 0.221 680 G HA3 -0.303 3.658 3.960 0.001 0.000 0.221 680 G C 0.989 175.747 174.900 -0.236 0.000 1.169 680 G CA 1.235 46.389 45.100 0.090 0.000 0.771 680 G HN 0.346 nan 8.290 nan 0.000 0.598 681 D N 0.091 120.303 120.400 -0.313 0.000 2.224 681 D HA -0.016 4.624 4.640 0.001 0.000 0.205 681 D C 2.704 178.281 176.300 -1.204 0.000 0.965 681 D CA 0.424 53.955 54.000 -0.782 0.000 0.852 681 D CB -0.105 40.477 40.800 -0.364 0.000 0.947 681 D HN 0.332 nan 8.370 nan 0.000 0.494 682 R N 0.618 120.626 120.500 -0.819 0.000 2.090 682 R HA -0.039 4.301 4.340 0.001 0.000 0.228 682 R C 2.327 178.242 176.300 -0.642 0.000 1.110 682 R CA 0.763 56.294 56.100 -0.949 0.000 0.973 682 R CB -0.087 29.516 30.300 -1.161 0.000 0.869 682 R HN 0.256 nan 8.270 nan 0.000 0.440 683 Q N -0.050 119.597 119.800 -0.256 0.000 2.079 683 Q HA -0.134 4.206 4.340 0.001 0.000 0.200 683 Q C 1.946 177.913 176.000 -0.056 0.000 0.974 683 Q CA 1.394 57.298 55.803 0.169 0.000 0.840 683 Q CB -0.078 28.943 28.738 0.472 0.000 0.898 683 Q HN 0.607 nan 8.270 nan 0.000 0.430 684 W N -0.105 120.953 121.300 -0.405 0.000 2.825 684 W HA 0.021 4.682 4.660 0.002 0.000 0.243 684 W C 0.723 176.919 176.519 -0.537 0.000 1.293 684 W CA 0.213 57.241 57.345 -0.528 0.000 1.403 684 W CB -0.263 28.533 29.460 -1.107 0.000 1.134 684 W HN 0.093 nan 8.180 nan 0.000 0.666 685 L N 1.256 121.961 121.223 -0.863 0.000 2.446 685 L HA -0.016 4.325 4.340 0.001 0.000 0.219 685 L C 2.316 178.565 176.870 -1.036 0.000 1.116 685 L CA 1.056 55.197 54.840 -1.166 0.000 0.844 685 L CB -0.433 40.773 42.059 -1.420 0.000 0.970 685 L HN -0.139 nan 8.230 nan 0.000 0.457 686 T N -1.617 112.476 114.554 -0.767 0.000 3.035 686 T HA -0.091 4.259 4.350 0.001 0.000 0.259 686 T C 0.782 174.831 174.700 -1.085 0.000 1.078 686 T CA -0.013 61.597 62.100 -0.816 0.000 1.132 686 T CB -0.056 68.451 68.868 -0.601 0.000 0.900 686 T HN 0.256 nan 8.240 nan 0.000 0.480 687 E N 2.953 122.513 120.200 -1.067 0.000 2.558 687 E HA -0.012 4.339 4.350 0.001 0.000 0.255 687 E C -2.565 173.748 176.600 -0.479 0.000 0.968 687 E CA -1.576 54.276 56.400 -0.914 0.000 0.939 687 E CB 0.443 29.995 29.700 -0.246 0.000 0.921 687 E HN 0.085 nan 8.360 nan 0.000 0.477 688 P HA -0.077 nan 4.420 nan 0.000 0.262 688 P C -0.241 176.959 177.300 -0.167 0.000 1.182 688 P CA 0.262 63.112 63.100 -0.418 0.000 0.761 688 P CB 0.654 31.896 31.700 -0.763 0.000 0.795 689 E N 1.675 121.833 120.200 -0.070 0.000 2.049 689 E HA -0.223 4.128 4.350 0.001 0.000 0.198 689 E C 1.902 178.532 176.600 0.050 0.000 1.007 689 E CA 2.357 58.762 56.400 0.009 0.000 0.809 689 E CB -0.590 29.204 29.700 0.158 0.000 0.749 689 E HN 0.535 nan 8.360 nan 0.000 0.450 690 S N 0.099 115.866 115.700 0.112 0.000 2.442 690 S HA -0.173 4.297 4.470 0.001 0.000 0.236 690 S C 1.982 176.714 174.600 0.220 0.000 1.007 690 S CA 1.130 59.465 58.200 0.225 0.000 0.965 690 S CB -0.258 63.064 63.200 0.204 0.000 0.773 690 S HN 0.253 nan 8.310 nan 0.000 0.504 691 M N 0.904 120.570 119.600 0.109 0.000 2.213 691 M HA -0.012 4.469 4.480 0.001 0.000 0.263 691 M C 1.470 177.773 176.300 0.005 0.000 1.062 691 M CA 1.222 56.569 55.300 0.079 0.000 1.105 691 M CB -0.256 32.401 32.600 0.095 0.000 1.385 691 M HN 0.267 nan 8.290 nan 0.000 0.417 692 L N -0.144 121.081 121.223 0.002 0.000 2.127 692 L HA -0.128 4.212 4.340 0.001 0.000 0.211 692 L C 2.586 179.390 176.870 -0.109 0.000 1.089 692 L CA 2.038 56.882 54.840 0.008 0.000 0.757 692 L CB -2.394 39.636 42.059 -0.047 0.000 0.899 692 L HN 0.460 nan 8.230 nan 0.000 0.434 693 G N -0.473 108.212 108.800 -0.191 0.000 2.408 693 G HA2 -0.217 3.744 3.960 0.001 0.000 0.217 693 G HA3 -0.217 3.744 3.960 0.001 0.000 0.217 693 G C 1.502 175.919 174.900 -0.804 0.000 1.150 693 G CA 0.363 45.114 45.100 -0.581 0.000 0.776 693 G HN 0.439 nan 8.290 nan 0.000 0.542 694 E N 0.553 120.426 120.200 -0.545 0.000 2.077 694 E HA -0.114 4.236 4.350 0.001 0.000 0.193 694 E C 2.396 178.768 176.600 -0.379 0.000 0.989 694 E CA 1.105 57.144 56.400 -0.600 0.000 0.800 694 E CB -0.117 29.135 29.700 -0.746 0.000 0.746 694 E HN 0.574 nan 8.360 nan 0.000 0.452 695 E N 0.854 120.929 120.200 -0.209 0.000 2.051 695 E HA -0.183 4.168 4.350 0.001 0.000 0.192 695 E C 2.128 178.758 176.600 0.050 0.000 0.991 695 E CA 1.021 57.405 56.400 -0.028 0.000 0.799 695 E CB -0.164 29.578 29.700 0.070 0.000 0.748 695 E HN 0.231 nan 8.360 nan 0.000 0.449 696 A N 1.134 123.899 122.820 -0.092 0.000 2.019 696 A HA -0.124 4.197 4.320 0.001 0.000 0.219 696 A C 2.164 179.778 177.584 0.049 0.000 1.164 696 A CA 0.841 52.825 52.037 -0.090 0.000 0.644 696 A CB -0.554 18.087 19.000 -0.599 0.000 0.805 696 A HN 0.140 nan 8.150 nan 0.000 0.449 697 L N -0.722 120.468 121.223 -0.056 0.000 2.131 697 L HA -0.158 4.182 4.340 0.001 0.000 0.210 697 L C 2.732 179.787 176.870 0.309 0.000 1.092 697 L CA 0.982 55.981 54.840 0.265 0.000 0.759 697 L CB -0.587 41.611 42.059 0.232 0.000 0.903 697 L HN 0.506 nan 8.230 nan 0.000 0.435 698 G N -0.768 108.194 108.800 0.270 0.000 2.422 698 G HA2 -0.163 3.798 3.960 0.001 0.000 0.218 698 G HA3 -0.163 3.798 3.960 0.001 0.000 0.218 698 G C 1.554 176.683 174.900 0.382 0.000 1.140 698 G CA 0.792 46.082 45.100 0.318 0.000 0.775 698 G HN 0.194 nan 8.290 nan 0.000 0.545 699 V N -0.089 120.038 119.914 0.356 0.000 2.244 699 V HA -0.174 3.947 4.120 0.001 0.000 0.244 699 V C 2.228 178.336 176.094 0.022 0.000 1.042 699 V CA 1.756 64.100 62.300 0.073 0.000 1.006 699 V CB -0.866 30.866 31.823 -0.151 0.000 0.641 699 V HN 0.443 nan 8.190 nan 0.000 0.446 700 Y N 0.764 121.171 120.300 0.179 0.000 2.081 700 Y HA -0.260 4.291 4.550 0.001 0.000 0.280 700 Y C 2.153 178.083 175.900 0.050 0.000 1.163 700 Y CA 1.846 60.047 58.100 0.167 0.000 1.135 700 Y CB -0.389 38.270 38.460 0.332 0.000 0.970 700 Y HN 0.147 nan 8.280 nan 0.000 0.498 701 L N 0.098 121.327 121.223 0.009 0.000 2.465 701 L HA -0.139 4.202 4.340 0.001 0.000 0.224 701 L C 0.637 177.479 176.870 -0.046 0.000 1.145 701 L CA 1.274 56.019 54.840 -0.158 0.000 0.834 701 L CB -0.398 41.634 42.059 -0.045 0.000 0.944 701 L HN 0.305 nan 8.230 nan 0.000 0.451 702 N N -0.901 117.860 118.700 0.102 0.000 2.200 702 N HA 0.215 4.956 4.740 0.001 0.000 0.224 702 N C 0.875 176.646 175.510 0.436 0.000 1.179 702 N CA 0.571 53.798 53.050 0.295 0.000 0.877 702 N CB 1.365 40.084 38.487 0.387 0.000 1.072 702 N HN 0.161 nan 8.380 nan 0.000 0.519 703 G N -0.370 108.481 108.800 0.085 0.000 2.159 703 G HA2 -0.199 3.762 3.960 0.001 0.000 0.227 703 G HA3 -0.199 3.762 3.960 0.001 0.000 0.227 703 G C 0.406 174.864 174.900 -0.736 0.000 0.986 703 G CA -0.310 44.733 45.100 -0.095 0.000 0.651 703 G HN 0.493 nan 8.290 nan 0.000 0.523 704 G N -0.851 107.345 108.800 -1.006 0.000 2.503 704 G HA2 0.611 4.572 3.960 0.001 0.000 0.257 704 G HA3 0.611 4.572 3.960 0.001 0.000 0.257 704 G C 1.042 175.378 174.900 -0.940 0.000 1.214 704 G CA 0.669 44.666 45.100 -1.837 0.000 0.839 704 G HN 1.502 nan 8.290 nan 0.000 0.559 705 V N -0.993 118.410 119.914 -0.851 0.000 3.392 705 V HA 0.389 4.510 4.120 0.001 0.000 0.294 705 V C -0.122 175.780 176.094 -0.320 0.000 1.561 705 V CA -0.220 61.852 62.300 -0.380 0.000 1.056 705 V CB 0.054 31.751 31.823 -0.210 0.000 0.882 705 V HN 0.393 nan 8.190 nan 0.000 0.440 706 V N 1.461 120.985 119.914 -0.649 0.000 2.540 706 V HA 0.677 4.798 4.120 0.001 0.000 0.302 706 V C -1.150 174.541 176.094 -0.672 0.000 1.035 706 V CA -0.565 61.489 62.300 -0.410 0.000 0.873 706 V CB 1.598 33.270 31.823 -0.252 0.000 0.992 706 V HN 0.395 nan 8.190 nan 0.000 0.428 707 Y N 2.917 123.148 120.300 -0.116 0.000 2.442 707 Y HA 0.699 5.249 4.550 0.001 0.000 0.344 707 Y C 0.099 175.871 175.900 -0.212 0.000 0.976 707 Y CA -0.681 57.298 58.100 -0.203 0.000 1.040 707 Y CB 2.227 40.670 38.460 -0.028 0.000 1.228 707 Y HN 0.637 nan 8.280 nan 0.000 0.451 708 N N 1.611 120.145 118.700 -0.277 0.000 2.484 708 N HA 0.562 5.302 4.740 0.001 0.000 0.269 708 N C -2.073 173.220 175.510 -0.362 0.000 1.237 708 N CA -0.899 52.100 53.050 -0.083 0.000 0.838 708 N CB 1.580 40.053 38.487 -0.023 0.000 1.593 708 N HN 0.450 nan 8.380 nan 0.000 0.485 709 F N 0.170 120.326 119.950 0.343 0.000 2.588 709 F HA 0.543 5.070 4.527 0.001 0.000 0.314 709 F C 0.245 176.247 175.800 0.337 0.000 1.069 709 F CA -0.582 57.586 58.000 0.279 0.000 0.931 709 F CB 2.150 41.196 39.000 0.076 0.000 1.260 709 F HN 0.219 nan 8.300 nan 0.000 0.465 710 E N -0.479 119.984 120.200 0.438 0.000 2.393 710 E HA 0.188 4.539 4.350 0.001 0.000 0.273 710 E C -1.457 175.327 176.600 0.307 0.000 0.918 710 E CA -1.081 55.502 56.400 0.306 0.000 0.773 710 E CB 2.220 32.088 29.700 0.279 0.000 1.275 710 E HN 0.497 nan 8.360 nan 0.000 0.451 711 H N 2.262 121.347 119.070 0.026 0.000 2.764 711 H HA 0.084 4.641 4.556 0.001 0.000 0.341 711 H C -1.933 173.333 175.328 -0.104 0.000 1.072 711 H CA -1.597 54.290 56.048 -0.269 0.000 1.444 711 H CB 1.221 30.289 29.762 -1.157 0.000 1.458 711 H HN 0.224 nan 8.280 nan 0.000 0.572 712 P HA -0.130 nan 4.420 nan 0.000 0.218 712 P C 1.060 178.552 177.300 0.320 0.000 1.148 712 P CA 2.044 65.265 63.100 0.201 0.000 0.822 712 P CB 0.116 31.749 31.700 -0.112 0.000 0.784 713 A N -1.591 121.466 122.820 0.395 0.000 1.930 713 A HA -0.228 4.093 4.320 0.001 0.000 0.217 713 A C 2.256 180.069 177.584 0.382 0.000 1.175 713 A CA 1.400 53.641 52.037 0.339 0.000 0.627 713 A CB -1.742 17.446 19.000 0.313 0.000 0.815 713 A HN 0.147 nan 8.150 nan 0.000 0.443 714 Y N 1.633 122.073 120.300 0.234 0.000 2.206 714 Y HA -0.110 4.441 4.550 0.001 0.000 0.292 714 Y C 2.821 178.798 175.900 0.129 0.000 1.123 714 Y CA 2.047 60.241 58.100 0.156 0.000 1.142 714 Y CB -0.911 37.648 38.460 0.165 0.000 1.006 714 Y HN 0.411 nan 8.280 nan 0.000 0.518 715 T N -2.503 112.066 114.554 0.025 0.000 3.023 715 T HA -0.095 4.256 4.350 0.001 0.000 0.266 715 T C 1.301 175.831 174.700 -0.283 0.000 1.093 715 T CA 1.552 63.483 62.100 -0.282 0.000 1.129 715 T CB -0.533 68.180 68.868 -0.259 0.000 0.899 715 T HN 0.401 nan 8.240 nan 0.000 0.491 716 Y N 1.127 121.472 120.300 0.076 0.000 2.769 716 Y HA 0.560 5.110 4.550 0.001 0.000 0.266 716 Y C 1.616 177.481 175.900 -0.057 0.000 1.091 716 Y CA 0.167 58.236 58.100 -0.052 0.000 1.272 716 Y CB 0.619 38.994 38.460 -0.141 0.000 1.469 716 Y HN 0.584 nan 8.280 nan 0.000 0.475 717 G N -0.061 108.873 108.800 0.222 0.000 2.325 717 G HA2 0.330 4.291 3.960 0.001 0.000 0.285 717 G HA3 0.330 4.291 3.960 0.001 0.000 0.285 717 G C -1.803 173.202 174.900 0.175 0.000 1.303 717 G CA -0.503 44.709 45.100 0.187 0.000 0.970 717 G HN 0.574 nan 8.290 nan 0.000 0.490 718 V N -3.837 116.168 119.914 0.152 0.000 3.114 718 V HA 0.847 4.968 4.120 0.001 0.000 0.308 718 V C 0.352 176.513 176.094 0.112 0.000 1.168 718 V CA -0.177 62.213 62.300 0.151 0.000 1.015 718 V CB 1.711 33.642 31.823 0.180 0.000 1.050 718 V HN 1.734 nan 8.190 nan 0.000 0.433 719 N N 2.315 121.084 118.700 0.115 0.000 2.735 719 N HA -0.212 4.529 4.740 0.001 0.000 0.248 719 N C 0.435 175.988 175.510 0.072 0.000 1.083 719 N CA 1.185 54.292 53.050 0.095 0.000 0.703 719 N CB -1.326 37.210 38.487 0.082 0.000 1.005 719 N HN 1.074 nan 8.380 nan 0.000 0.550 720 N N -2.165 116.573 118.700 0.063 0.000 2.708 720 N HA -0.205 4.535 4.740 0.001 0.000 0.251 720 N C -0.488 175.034 175.510 0.021 0.000 1.123 720 N CA 1.468 54.540 53.050 0.036 0.000 0.739 720 N CB -0.799 37.717 38.487 0.048 0.000 1.113 720 N HN 0.641 nan 8.380 nan 0.000 0.561 721 K N 0.821 121.239 120.400 0.031 0.000 2.203 721 K HA 0.358 4.679 4.320 0.001 0.000 0.251 721 K C 0.048 176.663 176.600 0.025 0.000 0.944 721 K CA -0.556 55.748 56.287 0.029 0.000 0.829 721 K CB 1.644 34.169 32.500 0.042 0.000 1.125 721 K HN 0.072 nan 8.250 nan 0.000 0.430 722 E N 1.418 121.634 120.200 0.026 0.000 2.316 722 E HA 0.034 4.385 4.350 0.001 0.000 0.275 722 E C -0.225 176.451 176.600 0.127 0.000 1.029 722 E CA -0.377 56.055 56.400 0.054 0.000 0.871 722 E CB 0.943 30.725 29.700 0.137 0.000 1.022 722 E HN 0.574 nan 8.360 nan 0.000 0.418 723 S N 2.700 118.516 115.700 0.194 0.000 2.584 723 S HA 0.065 4.535 4.470 0.001 0.000 0.270 723 S C 1.113 175.857 174.600 0.240 0.000 1.346 723 S CA -0.554 57.820 58.200 0.289 0.000 1.018 723 S CB 0.658 64.125 63.200 0.446 0.000 0.899 723 S HN 0.549 nan 8.310 nan 0.000 0.542 724 L N 1.367 122.688 121.223 0.163 0.000 2.131 724 L HA -0.055 4.286 4.340 0.001 0.000 0.210 724 L C 2.531 179.540 176.870 0.231 0.000 1.092 724 L CA 0.929 55.839 54.840 0.116 0.000 0.759 724 L CB -0.542 41.568 42.059 0.084 0.000 0.903 724 L HN 0.755 nan 8.230 nan 0.000 0.435 725 L N -1.094 120.364 121.223 0.391 0.000 2.013 725 L HA -0.303 4.038 4.340 0.001 0.000 0.212 725 L C 2.535 179.377 176.870 -0.046 0.000 1.073 725 L CA 1.660 56.585 54.840 0.140 0.000 0.753 725 L CB -0.255 41.680 42.059 -0.207 0.000 0.890 725 L HN 0.187 nan 8.230 nan 0.000 0.432 726 F N 0.299 120.169 119.950 -0.134 0.000 2.075 726 F HA -0.277 4.251 4.527 0.001 0.000 0.297 726 F C 2.875 178.603 175.800 -0.120 0.000 1.113 726 F CA 1.927 59.808 58.000 -0.198 0.000 1.218 726 F CB -0.345 38.569 39.000 -0.143 0.000 0.984 726 F HN 0.266 nan 8.300 nan 0.000 0.472 727 S N -0.740 115.003 115.700 0.071 0.000 2.387 727 S HA -0.115 4.355 4.470 0.001 0.000 0.226 727 S C 1.652 176.160 174.600 -0.154 0.000 1.026 727 S CA 1.197 59.398 58.200 0.002 0.000 0.972 727 S CB -0.424 62.810 63.200 0.055 0.000 0.814 727 S HN 0.438 nan 8.310 nan 0.000 0.477 728 E N 0.506 120.567 120.200 -0.231 0.000 2.364 728 E HA 0.263 4.614 4.350 0.001 0.000 0.196 728 E C 1.837 178.309 176.600 -0.213 0.000 0.990 728 E CA 0.378 56.573 56.400 -0.342 0.000 0.886 728 E CB 0.186 29.380 29.700 -0.842 0.000 0.866 728 E HN 0.527 nan 8.360 nan 0.000 0.493 729 V N 0.196 120.017 119.914 -0.156 0.000 3.097 729 V HA 0.102 4.223 4.120 0.001 0.000 0.223 729 V C 2.156 178.166 176.094 -0.140 0.000 1.199 729 V CA 0.108 62.372 62.300 -0.061 0.000 1.260 729 V CB -0.198 31.628 31.823 0.005 0.000 1.155 729 V HN 0.012 nan 8.190 nan 0.000 0.509 730 I N 0.761 121.102 120.570 -0.381 0.000 2.252 730 I HA -0.203 3.968 4.170 0.001 0.000 0.245 730 I C 2.507 178.339 176.117 -0.475 0.000 1.102 730 I CA 1.831 62.816 61.300 -0.524 0.000 1.385 730 I CB -0.219 37.217 38.000 -0.940 0.000 1.064 730 I HN 0.300 nan 8.210 nan 0.000 0.414 731 K N 0.874 120.838 120.400 -0.727 0.000 2.025 731 K HA -0.196 4.124 4.320 0.001 0.000 0.207 731 K C 2.062 178.580 176.600 -0.137 0.000 1.049 731 K CA 1.358 57.361 56.287 -0.474 0.000 0.933 731 K CB 0.061 32.297 32.500 -0.440 0.000 0.714 731 K HN 0.107 nan 8.250 nan 0.000 0.438 732 E N 0.255 120.387 120.200 -0.112 0.000 2.110 732 E HA -0.186 4.164 4.350 0.001 0.000 0.193 732 E C 1.778 178.396 176.600 0.031 0.000 0.988 732 E CA 0.906 57.286 56.400 -0.033 0.000 0.804 732 E CB -0.346 29.329 29.700 -0.041 0.000 0.745 732 E HN 0.346 nan 8.360 nan 0.000 0.458 733 F N 0.587 120.503 119.950 -0.057 0.000 2.095 733 F HA -0.235 4.293 4.527 0.001 0.000 0.298 733 F C 2.190 177.961 175.800 -0.049 0.000 1.104 733 F CA 1.242 59.216 58.000 -0.044 0.000 1.232 733 F CB -0.359 38.590 39.000 -0.086 0.000 0.987 733 F HN -0.025 nan 8.300 nan 0.000 0.475 734 F N 1.283 121.130 119.950 -0.172 0.000 2.186 734 F HA -0.088 4.440 4.527 0.001 0.000 0.299 734 F C 2.503 178.149 175.800 -0.257 0.000 1.090 734 F CA 1.539 59.385 58.000 -0.258 0.000 1.307 734 F CB -0.630 38.288 39.000 -0.137 0.000 1.019 734 F HN -0.153 nan 8.300 nan 0.000 0.489 735 R N -1.457 118.935 120.500 -0.181 0.000 2.091 735 R HA -0.257 4.084 4.340 0.001 0.000 0.238 735 R C 2.189 178.324 176.300 -0.275 0.000 1.136 735 R CA 1.955 57.918 56.100 -0.229 0.000 0.959 735 R CB -1.011 29.230 30.300 -0.098 0.000 0.856 735 R HN 0.407 nan 8.270 nan 0.000 0.437 736 Y N 1.124 121.219 120.300 -0.342 0.000 2.145 736 Y HA -0.243 4.308 4.550 0.001 0.000 0.286 736 Y C 2.198 177.877 175.900 -0.368 0.000 1.145 736 Y CA 1.767 59.680 58.100 -0.312 0.000 1.148 736 Y CB -0.122 38.085 38.460 -0.422 0.000 0.981 736 Y HN -0.052 nan 8.280 nan 0.000 0.507 737 V N -1.468 118.145 119.914 -0.501 0.000 3.041 737 V HA -0.136 3.985 4.120 0.001 0.000 0.260 737 V C 1.858 177.712 176.094 -0.401 0.000 1.105 737 V CA 1.564 63.609 62.300 -0.425 0.000 1.125 737 V CB -0.795 30.794 31.823 -0.390 0.000 0.730 737 V HN 0.452 nan 8.190 nan 0.000 0.479 738 I N 1.337 121.537 120.570 -0.617 0.000 2.286 738 I HA -0.022 4.149 4.170 0.001 0.000 0.245 738 I C 2.895 178.729 176.117 -0.472 0.000 1.104 738 I CA 1.516 62.415 61.300 -0.668 0.000 1.397 738 I CB -0.574 36.889 38.000 -0.896 0.000 1.072 738 I HN 0.355 nan 8.210 nan 0.000 0.417 739 A N -0.306 122.242 122.820 -0.454 0.000 1.968 739 A HA -0.111 4.210 4.320 0.001 0.000 0.217 739 A C 0.528 177.684 177.584 -0.713 0.000 1.169 739 A CA 1.221 52.945 52.037 -0.521 0.000 0.638 739 A CB -0.631 18.064 19.000 -0.508 0.000 0.812 739 A HN 0.503 nan 8.150 nan 0.000 0.446 740 H N -0.804 118.004 119.070 -0.438 0.000 2.541 740 H HA 0.376 4.933 4.556 0.001 0.000 0.246 740 H C -2.874 172.441 175.328 -0.021 0.000 1.341 740 H CA -2.193 53.699 56.048 -0.259 0.000 1.469 740 H CB 0.119 29.623 29.762 -0.429 0.000 1.472 740 H HN 0.155 nan 8.280 nan 0.000 0.503 741 P HA -0.038 nan 4.420 nan 0.000 0.263 741 P C 0.156 177.538 177.300 0.137 0.000 1.175 741 P CA 0.146 63.280 63.100 0.056 0.000 0.761 741 P CB 0.623 32.322 31.700 -0.001 0.000 0.794 742 A N 6.404 129.289 122.820 0.108 0.000 2.577 742 A HA 0.172 4.493 4.320 0.001 0.000 0.233 742 A C -1.818 175.701 177.584 -0.109 0.000 1.076 742 A CA -0.631 51.275 52.037 -0.218 0.000 0.767 742 A CB -1.421 17.451 19.000 -0.213 0.000 1.017 742 A HN 0.443 nan 8.150 nan 0.000 0.511 743 P HA 0.098 nan 4.420 nan 0.000 0.265 743 P C 0.198 177.589 177.300 0.152 0.000 1.193 743 P CA 0.180 63.290 63.100 0.015 0.000 0.765 743 P CB 0.447 32.155 31.700 0.013 0.000 0.823 744 S N 2.186 117.986 115.700 0.166 0.000 2.596 744 S HA 0.076 4.546 4.470 0.001 0.000 0.260 744 S C 1.416 176.181 174.600 0.275 0.000 1.336 744 S CA -0.390 57.953 58.200 0.238 0.000 0.993 744 S CB 0.741 64.028 63.200 0.145 0.000 0.923 744 S HN 0.487 nan 8.310 nan 0.000 0.567 745 K N 0.546 121.067 120.400 0.200 0.000 2.044 745 K HA -0.244 4.076 4.320 0.001 0.000 0.210 745 K C 2.160 178.678 176.600 -0.137 0.000 1.049 745 K CA 2.041 58.158 56.287 -0.282 0.000 0.927 745 K CB -0.435 31.759 32.500 -0.510 0.000 0.713 745 K HN 0.798 nan 8.250 nan 0.000 0.443 746 E N 1.050 121.227 120.200 -0.038 0.000 2.038 746 E HA -0.256 4.095 4.350 0.001 0.000 0.195 746 E C 1.858 178.465 176.600 0.013 0.000 1.000 746 E CA 1.911 58.301 56.400 -0.016 0.000 0.803 746 E CB -0.152 29.554 29.700 0.010 0.000 0.750 746 E HN 0.127 nan 8.360 nan 0.000 0.448 747 K N -0.045 120.383 120.400 0.048 0.000 2.001 747 K HA -0.119 4.201 4.320 0.001 0.000 0.214 747 K C 2.069 178.712 176.600 0.071 0.000 1.050 747 K CA 1.850 58.173 56.287 0.059 0.000 0.934 747 K CB -0.831 31.712 32.500 0.072 0.000 0.718 747 K HN 0.138 nan 8.250 nan 0.000 0.443 748 V N 1.178 121.157 119.914 0.109 0.000 2.324 748 V HA -0.284 3.836 4.120 0.001 0.000 0.250 748 V C 2.397 178.548 176.094 0.094 0.000 1.060 748 V CA 2.041 64.427 62.300 0.144 0.000 1.042 748 V CB -0.494 31.500 31.823 0.285 0.000 0.650 748 V HN 0.295 nan 8.190 nan 0.000 0.450 749 L N -0.427 120.812 121.223 0.027 0.000 1.994 749 L HA -0.228 4.113 4.340 0.001 0.000 0.208 749 L C 2.648 179.537 176.870 0.031 0.000 1.071 749 L CA 1.928 56.776 54.840 0.012 0.000 0.745 749 L CB -0.668 41.360 42.059 -0.052 0.000 0.892 749 L HN 0.361 nan 8.230 nan 0.000 0.431 750 E N -0.100 120.113 120.200 0.022 0.000 2.147 750 E HA -0.261 4.090 4.350 0.001 0.000 0.199 750 E C 1.356 177.977 176.600 0.036 0.000 1.005 750 E CA 1.552 57.966 56.400 0.022 0.000 0.810 750 E CB -0.093 29.619 29.700 0.020 0.000 0.736 750 E HN 0.500 nan 8.360 nan 0.000 0.460 751 D N -0.190 120.247 120.400 0.062 0.000 2.349 751 D HA -0.000 4.640 4.640 0.001 0.000 0.215 751 D C -0.034 176.346 176.300 0.134 0.000 1.016 751 D CA 0.471 54.522 54.000 0.084 0.000 0.870 751 D CB 0.240 41.097 40.800 0.096 0.000 0.917 751 D HN -0.036 nan 8.370 nan 0.000 0.524 752 T N 1.358 115.995 114.554 0.138 0.000 2.749 752 T HA 0.143 4.493 4.350 0.001 0.000 0.295 752 T C 1.263 176.046 174.700 0.138 0.000 0.936 752 T CA -0.388 61.837 62.100 0.208 0.000 1.060 752 T CB 1.669 70.672 68.868 0.225 0.000 0.904 752 T HN -0.201 nan 8.240 nan 0.000 0.500 753 K N 1.883 122.353 120.400 0.117 0.000 2.335 753 K HA 0.271 4.592 4.320 0.001 0.000 0.195 753 K C 0.307 176.977 176.600 0.117 0.000 1.058 753 K CA 0.346 56.588 56.287 -0.075 0.000 0.988 753 K CB 0.600 32.730 32.500 -0.616 0.000 0.880 753 K HN 0.376 nan 8.250 nan 0.000 0.513 754 V N 1.154 121.269 119.914 0.334 0.000 2.760 754 V HA 0.433 4.554 4.120 0.001 0.000 0.309 754 V C -1.488 174.857 176.094 0.419 0.000 1.077 754 V CA -1.015 61.544 62.300 0.432 0.000 0.910 754 V CB 2.287 34.466 31.823 0.595 0.000 1.008 754 V HN 0.052 nan 8.190 nan 0.000 0.424 755 F N 4.705 124.794 119.950 0.232 0.000 2.539 755 F HA 0.657 5.185 4.527 0.001 0.000 0.328 755 F C -0.329 175.545 175.800 0.123 0.000 1.148 755 F CA -0.485 57.602 58.000 0.144 0.000 0.940 755 F CB 1.180 40.232 39.000 0.087 0.000 1.194 755 F HN 0.358 nan 8.300 nan 0.000 0.438 756 I N 5.215 125.738 120.570 -0.078 0.000 2.428 756 I HA 0.144 4.315 4.170 0.001 0.000 0.289 756 I C -0.702 175.415 176.117 -0.001 0.000 1.019 756 I CA -0.386 60.840 61.300 -0.122 0.000 1.351 756 I CB 0.937 38.658 38.000 -0.466 0.000 1.412 756 I HN 0.563 nan 8.210 nan 0.000 0.513 757 H N 4.831 123.875 119.070 -0.043 0.000 2.587 757 H HA 0.735 5.292 4.556 0.001 0.000 0.325 757 H C -0.269 174.973 175.328 -0.144 0.000 1.012 757 H CA 0.007 56.031 56.048 -0.040 0.000 1.213 757 H CB 1.013 30.796 29.762 0.035 0.000 1.431 757 H HN 0.783 nan 8.280 nan 0.000 0.492 758 G N 3.391 111.827 108.800 -0.606 0.000 2.369 758 G HA2 0.046 4.006 3.960 0.001 0.000 0.307 758 G HA3 0.046 4.006 3.960 0.001 0.000 0.307 758 G C -1.737 172.898 174.900 -0.442 0.000 1.327 758 G CA -0.974 43.800 45.100 -0.543 0.000 0.963 758 G HN 0.529 nan 8.290 nan 0.000 0.590 759 D N 0.229 120.429 120.400 -0.333 0.000 2.359 759 D HA 0.405 5.046 4.640 0.001 0.000 0.230 759 D C 0.643 176.801 176.300 -0.237 0.000 1.118 759 D CA -0.305 53.575 54.000 -0.199 0.000 0.844 759 D CB 1.033 41.759 40.800 -0.123 0.000 1.059 759 D HN 0.318 nan 8.370 nan 0.000 0.493 760 Y N 1.187 121.382 120.300 -0.174 0.000 2.315 760 Y HA -0.229 4.321 4.550 0.001 0.000 0.288 760 Y C 2.564 178.367 175.900 -0.162 0.000 1.154 760 Y CA 1.058 58.973 58.100 -0.308 0.000 1.229 760 Y CB -0.434 37.760 38.460 -0.443 0.000 0.980 760 Y HN 0.355 nan 8.280 nan 0.000 0.540 761 S N -0.684 115.044 115.700 0.046 0.000 2.474 761 S HA -0.177 4.294 4.470 0.001 0.000 0.235 761 S C 1.620 176.219 174.600 -0.000 0.000 0.997 761 S CA 1.324 59.534 58.200 0.017 0.000 0.949 761 S CB -0.442 62.761 63.200 0.005 0.000 0.766 761 S HN 0.466 nan 8.310 nan 0.000 0.517 762 N N 0.857 119.546 118.700 -0.017 0.000 2.280 762 N HA 0.161 4.901 4.740 0.001 0.000 0.192 762 N C 0.161 175.674 175.510 0.005 0.000 1.109 762 N CA 0.175 53.215 53.050 -0.018 0.000 0.855 762 N CB 0.179 38.641 38.487 -0.042 0.000 0.974 762 N HN 0.085 nan 8.380 nan 0.000 0.482 763 K N -0.581 119.838 120.400 0.031 0.000 3.012 763 K HA 0.345 4.666 4.320 0.001 0.000 0.207 763 K C 0.213 176.896 176.600 0.137 0.000 1.130 763 K CA 0.060 56.411 56.287 0.105 0.000 1.021 763 K CB 0.434 33.047 32.500 0.189 0.000 0.736 763 K HN 0.112 nan 8.250 nan 0.000 0.448 764 G N 1.612 110.452 108.800 0.066 0.000 2.157 764 G HA2 -0.349 3.611 3.960 0.001 0.000 0.248 764 G HA3 -0.349 3.611 3.960 0.001 0.000 0.248 764 G C 0.420 175.334 174.900 0.024 0.000 0.979 764 G CA 0.261 45.386 45.100 0.042 0.000 0.650 764 G HN 0.338 nan 8.290 nan 0.000 0.529 765 N N -1.052 117.659 118.700 0.017 0.000 1.188 765 N HA -0.304 4.436 4.740 0.001 0.000 0.128 765 N C 1.850 177.310 175.510 -0.083 0.000 0.759 765 N CA 2.589 55.610 53.050 -0.048 0.000 0.905 765 N CB -1.394 37.066 38.487 -0.045 0.000 1.156 765 N HN 1.303 nan 8.380 nan 0.000 0.553 766 G N 0.628 109.379 108.800 -0.081 0.000 2.448 766 G HA2 -0.243 3.718 3.960 0.001 0.000 0.219 766 G HA3 -0.243 3.718 3.960 0.001 0.000 0.219 766 G C 1.452 176.350 174.900 -0.002 0.000 1.127 766 G CA 1.567 46.634 45.100 -0.055 0.000 0.766 766 G HN 0.579 nan 8.290 nan 0.000 0.552 767 K N -0.580 119.816 120.400 -0.007 0.000 2.218 767 K HA -0.125 4.196 4.320 0.001 0.000 0.205 767 K C 1.961 178.546 176.600 -0.025 0.000 1.046 767 K CA 0.923 57.205 56.287 -0.008 0.000 0.933 767 K CB -0.291 32.201 32.500 -0.013 0.000 0.728 767 K HN 0.402 nan 8.250 nan 0.000 0.454 768 F N 0.053 119.880 119.950 -0.205 0.000 2.161 768 F HA -0.197 4.331 4.527 0.001 0.000 0.300 768 F C 1.318 176.827 175.800 -0.485 0.000 1.089 768 F CA 1.436 59.214 58.000 -0.371 0.000 1.282 768 F CB 0.107 38.790 39.000 -0.529 0.000 1.010 768 F HN -0.090 nan 8.300 nan 0.000 0.485 769 F N -0.726 119.281 119.950 0.096 0.000 2.721 769 F HA 0.214 4.742 4.527 0.001 0.000 0.301 769 F C 0.624 176.422 175.800 -0.004 0.000 1.096 769 F CA -0.364 57.663 58.000 0.046 0.000 1.308 769 F CB -0.637 38.410 39.000 0.078 0.000 1.086 769 F HN -0.436 nan 8.300 nan 0.000 0.587 770 V N 1.688 121.662 119.914 0.100 0.000 2.599 770 V HA -0.072 4.049 4.120 0.001 0.000 0.300 770 V C 0.720 176.834 176.094 0.033 0.000 1.034 770 V CA 0.327 62.658 62.300 0.051 0.000 1.115 770 V CB -0.346 31.486 31.823 0.014 0.000 0.934 770 V HN 0.615 nan 8.190 nan 0.000 0.485 771 N N 1.190 119.914 118.700 0.042 0.000 2.815 771 N HA -0.198 4.543 4.740 0.001 0.000 0.247 771 N C 0.501 176.051 175.510 0.067 0.000 1.030 771 N CA 0.764 53.838 53.050 0.040 0.000 0.881 771 N CB -0.803 37.694 38.487 0.017 0.000 1.134 771 N HN 0.491 nan 8.380 nan 0.000 0.582 772 V N 0.126 120.108 119.914 0.114 0.000 2.635 772 V HA 0.077 4.198 4.120 0.001 0.000 0.233 772 V C 1.417 177.697 176.094 0.310 0.000 1.097 772 V CA 1.778 64.188 62.300 0.183 0.000 1.134 772 V CB -0.023 31.895 31.823 0.158 0.000 0.841 772 V HN 0.568 nan 8.190 nan 0.000 0.496 773 N N 0.162 119.055 118.700 0.321 0.000 2.184 773 N HA 0.064 4.805 4.740 0.001 0.000 0.234 773 N C -0.017 175.629 175.510 0.226 0.000 1.282 773 N CA 0.430 53.657 53.050 0.295 0.000 0.877 773 N CB 0.187 38.886 38.487 0.353 0.000 1.184 773 N HN 0.556 nan 8.380 nan 0.000 0.510 774 T N -2.256 112.377 114.554 0.133 0.000 2.887 774 T HA 0.364 4.715 4.350 0.001 0.000 0.288 774 T C 0.143 174.828 174.700 -0.024 0.000 1.021 774 T CA -0.639 61.461 62.100 -0.001 0.000 1.000 774 T CB 2.093 70.937 68.868 -0.041 0.000 1.034 774 T HN 0.043 nan 8.240 nan 0.000 0.467 775 D N 0.839 121.201 120.400 -0.064 0.000 2.350 775 D HA 0.046 4.687 4.640 0.001 0.000 0.213 775 D C 0.685 177.006 176.300 0.035 0.000 1.031 775 D CA -0.098 53.898 54.000 -0.006 0.000 0.861 775 D CB 0.293 41.132 40.800 0.065 0.000 0.926 775 D HN 0.865 nan 8.370 nan 0.000 0.520 776 R N -1.632 118.875 120.500 0.013 0.000 2.728 776 R HA 0.277 4.618 4.340 0.001 0.000 0.274 776 R C 0.012 176.303 176.300 -0.015 0.000 1.030 776 R CA -0.775 55.330 56.100 0.008 0.000 0.876 776 R CB 0.486 30.796 30.300 0.017 0.000 1.259 776 R HN -0.191 nan 8.270 nan 0.000 0.468 777 E N 0.355 120.543 120.200 -0.020 0.000 2.107 777 E HA -0.080 4.271 4.350 0.001 0.000 0.191 777 E C -0.105 176.464 176.600 -0.051 0.000 0.982 777 E CA 1.038 57.419 56.400 -0.033 0.000 0.809 777 E CB 0.306 29.988 29.700 -0.029 0.000 0.756 777 E HN 0.483 nan 8.360 nan 0.000 0.459 778 Q N 0.731 120.503 119.800 -0.046 0.000 2.771 778 Q HA 0.187 4.528 4.340 0.001 0.000 0.239 778 Q C -0.995 174.973 176.000 -0.053 0.000 1.231 778 Q CA -0.112 55.658 55.803 -0.054 0.000 1.056 778 Q CB 1.468 30.172 28.738 -0.055 0.000 1.284 778 Q HN -0.086 nan 8.270 nan 0.000 0.558 779 T N 0.174 114.683 114.554 -0.074 0.000 2.932 779 T HA 0.393 4.743 4.350 0.001 0.000 0.318 779 T C -2.466 172.145 174.700 -0.148 0.000 1.265 779 T CA -1.554 60.502 62.100 -0.074 0.000 1.036 779 T CB 1.610 70.448 68.868 -0.050 0.000 1.209 779 T HN 0.125 nan 8.240 nan 0.000 0.484 780 P HA 0.338 nan 4.420 nan 0.000 0.268 780 P C -0.157 176.986 177.300 -0.262 0.000 1.329 780 P CA -0.079 62.903 63.100 -0.197 0.000 0.899 780 P CB 0.299 31.955 31.700 -0.074 0.000 1.378 781 L N -0.752 120.325 121.223 -0.244 0.000 2.304 781 L HA 0.495 4.836 4.340 0.001 0.000 0.268 781 L C -0.093 176.549 176.870 -0.380 0.000 1.010 781 L CA -1.375 53.370 54.840 -0.159 0.000 0.813 781 L CB 0.896 43.001 42.059 0.077 0.000 1.315 781 L HN -0.191 nan 8.230 nan 0.000 0.445 782 Y N -0.064 120.286 120.300 0.082 0.000 2.509 782 Y HA 0.320 4.871 4.550 0.001 0.000 0.341 782 Y C 0.862 176.792 175.900 0.051 0.000 1.038 782 Y CA -0.849 57.264 58.100 0.021 0.000 1.089 782 Y CB 1.933 40.407 38.460 0.023 0.000 1.241 782 Y HN 0.544 nan 8.280 nan 0.000 0.468 783 M N -0.746 118.868 119.600 0.024 0.000 2.461 783 M HA 0.322 4.803 4.480 0.001 0.000 0.255 783 M C -0.239 176.074 176.300 0.022 0.000 1.137 783 M CA 0.675 55.682 55.300 -0.487 0.000 1.086 783 M CB 0.959 32.982 32.600 -0.963 0.000 1.356 783 M HN 0.534 nan 8.290 nan 0.000 0.487 784 T N -0.291 114.396 114.554 0.221 0.000 2.923 784 T HA 0.608 4.959 4.350 0.001 0.000 0.311 784 T C 0.295 175.035 174.700 0.067 0.000 1.183 784 T CA -0.258 61.916 62.100 0.124 0.000 1.020 784 T CB 1.927 70.771 68.868 -0.040 0.000 1.165 784 T HN 0.273 nan 8.240 nan 0.000 0.482 785 G N 1.852 110.480 108.800 -0.287 0.000 3.189 785 G HA2 0.092 4.053 3.960 0.001 0.000 0.225 785 G HA3 0.092 4.053 3.960 0.001 0.000 0.225 785 G C 1.206 175.990 174.900 -0.193 0.000 1.159 785 G CA 0.009 44.923 45.100 -0.310 0.000 0.763 785 G HN 0.740 nan 8.290 nan 0.000 0.549 786 R N -0.279 120.049 120.500 -0.286 0.000 2.105 786 R HA -0.126 4.214 4.340 0.001 0.000 0.239 786 R C 0.931 176.919 176.300 -0.520 0.000 1.135 786 R CA 1.384 57.227 56.100 -0.430 0.000 0.967 786 R CB -0.176 29.683 30.300 -0.735 0.000 0.861 786 R HN 0.444 nan 8.270 nan 0.000 0.442 787 Y N 1.404 121.541 120.300 -0.272 0.000 2.507 787 Y HA 0.173 4.723 4.550 0.001 0.000 0.254 787 Y C 0.737 176.359 175.900 -0.464 0.000 1.171 787 Y CA -0.372 57.309 58.100 -0.698 0.000 1.238 787 Y CB -0.727 37.381 38.460 -0.586 0.000 1.148 787 Y HN 0.230 nan 8.280 nan 0.000 0.525 788 N N -0.174 118.426 118.700 -0.168 0.000 1.073 788 N HA -0.304 4.437 4.740 0.001 0.000 0.127 788 N C -0.303 175.052 175.510 -0.259 0.000 0.605 788 N CA 1.307 54.276 53.050 -0.134 0.000 0.860 788 N CB -1.054 37.407 38.487 -0.044 0.000 1.302 788 N HN 0.032 nan 8.380 nan 0.000 0.586 789 V N 1.066 120.837 119.914 -0.237 0.000 2.370 789 V HA 0.408 4.529 4.120 0.001 0.000 0.283 789 V C 0.413 176.394 176.094 -0.189 0.000 1.023 789 V CA -0.535 61.574 62.300 -0.317 0.000 0.857 789 V CB 0.858 32.518 31.823 -0.271 0.000 0.985 789 V HN 0.345 nan 8.190 nan 0.000 0.443 790 I N 9.168 129.616 120.570 -0.204 0.000 2.505 790 I HA 0.191 4.361 4.170 0.001 0.000 0.287 790 I C -1.797 174.245 176.117 -0.125 0.000 1.104 790 I CA -1.251 60.012 61.300 -0.062 0.000 1.387 790 I CB 0.888 38.944 38.000 0.093 0.000 1.404 790 I HN 0.441 nan 8.210 nan 0.000 0.528 791 P HA 0.334 nan 4.420 nan 0.000 0.275 791 P C -0.994 175.864 177.300 -0.738 0.000 1.228 791 P CA -0.267 62.577 63.100 -0.427 0.000 0.786 791 P CB 1.552 33.002 31.700 -0.416 0.000 0.927 792 A N 2.869 125.322 122.820 -0.612 0.000 2.587 792 A HA 0.819 5.139 4.320 0.001 0.000 0.293 792 A C -0.584 176.893 177.584 -0.177 0.000 1.087 792 A CA -0.823 50.912 52.037 -0.504 0.000 0.692 792 A CB 1.241 20.049 19.000 -0.320 0.000 1.291 792 A HN 0.587 nan 8.150 nan 0.000 0.407 793 I N -1.756 118.793 120.570 -0.034 0.000 2.785 793 I HA 0.718 4.889 4.170 0.001 0.000 0.302 793 I C -2.952 173.034 176.117 -0.219 0.000 1.069 793 I CA -3.038 58.202 61.300 -0.101 0.000 1.045 793 I CB 2.219 40.176 38.000 -0.072 0.000 1.236 793 I HN 0.235 nan 8.210 nan 0.000 0.429 794 P HA 0.083 nan 4.420 nan 0.000 0.268 794 P C 0.925 178.002 177.300 -0.373 0.000 1.208 794 P CA 0.111 62.913 63.100 -0.497 0.000 0.777 794 P CB 0.744 32.111 31.700 -0.556 0.000 0.875 795 G N 1.257 109.800 108.800 -0.428 0.000 2.462 795 G HA2 -0.231 3.730 3.960 0.001 0.000 0.220 795 G HA3 -0.231 3.730 3.960 0.001 0.000 0.220 795 G C 1.475 176.284 174.900 -0.151 0.000 1.121 795 G CA 0.453 45.236 45.100 -0.529 0.000 0.758 795 G HN 0.481 nan 8.290 nan 0.000 0.559 796 V N 0.241 120.099 119.914 -0.093 0.000 2.594 796 V HA 0.148 4.269 4.120 0.001 0.000 0.253 796 V C 1.366 177.484 176.094 0.040 0.000 1.069 796 V CA 0.762 63.063 62.300 0.001 0.000 1.082 796 V CB -0.227 31.613 31.823 0.028 0.000 0.680 796 V HN 0.243 nan 8.190 nan 0.000 0.469 797 L N -0.053 121.177 121.223 0.012 0.000 2.416 797 L HA 0.422 4.763 4.340 0.001 0.000 0.262 797 L C 0.019 176.934 176.870 0.075 0.000 1.093 797 L CA -0.604 54.223 54.840 -0.022 0.000 0.801 797 L CB 0.721 42.585 42.059 -0.324 0.000 1.191 797 L HN -0.088 nan 8.230 nan 0.000 0.459 798 K N 0.266 120.659 120.400 -0.012 0.000 2.156 798 K HA 0.527 4.847 4.320 0.001 0.000 0.271 798 K C -0.330 176.210 176.600 -0.100 0.000 0.995 798 K CA -0.174 56.047 56.287 -0.110 0.000 0.890 798 K CB 1.485 33.948 32.500 -0.063 0.000 1.073 798 K HN 0.616 nan 8.250 nan 0.000 0.454 814 Q N 5.275 125.151 119.800 0.127 0.000 2.314 814 Q HA 0.538 4.879 4.340 0.001 0.000 0.257 814 Q C -0.806 175.331 176.000 0.227 0.000 0.975 814 Q CA 0.049 55.955 55.803 0.171 0.000 0.933 814 Q CB 1.027 29.915 28.738 0.250 0.000 1.195 814 Q HN 0.433 nan 8.270 nan 0.000 0.426 815 I N 4.241 124.907 120.570 0.160 0.000 2.352 815 I HA 0.255 4.426 4.170 0.001 0.000 0.290 815 I C -0.063 176.176 176.117 0.203 0.000 1.036 815 I CA -0.442 60.973 61.300 0.191 0.000 1.336 815 I CB 0.556 38.591 38.000 0.059 0.000 1.407 815 I HN 0.212 nan 8.210 nan 0.000 0.497 816 K N 5.956 126.532 120.400 0.293 0.000 2.426 816 K HA 0.367 4.688 4.320 0.001 0.000 0.254 816 K C -0.509 176.267 176.600 0.293 0.000 0.936 816 K CA -0.862 55.606 56.287 0.301 0.000 0.801 816 K CB 1.909 34.711 32.500 0.503 0.000 1.139 816 K HN 0.379 nan 8.250 nan 0.000 0.424 817 E N 2.474 122.801 120.200 0.211 0.000 2.413 817 E HA -0.022 4.329 4.350 0.001 0.000 0.263 817 E C 1.133 177.830 176.600 0.162 0.000 1.015 817 E CA 0.051 56.544 56.400 0.155 0.000 0.916 817 E CB 0.982 30.747 29.700 0.109 0.000 0.947 817 E HN 0.562 nan 8.360 nan 0.000 0.440 818 I N 2.181 122.738 120.570 -0.022 0.000 2.614 818 I HA -0.242 3.928 4.170 0.001 0.000 0.258 818 I C 1.653 177.824 176.117 0.089 0.000 1.189 818 I CA 1.322 62.569 61.300 -0.089 0.000 1.462 818 I CB 0.169 37.943 38.000 -0.377 0.000 1.092 818 I HN 0.472 nan 8.210 nan 0.000 0.442 819 T N -2.038 112.549 114.554 0.056 0.000 3.129 819 T HA 0.100 4.451 4.350 0.001 0.000 0.251 819 T C 0.973 175.710 174.700 0.061 0.000 1.117 819 T CA 0.225 62.356 62.100 0.053 0.000 1.034 819 T CB -0.627 68.248 68.868 0.011 0.000 0.968 819 T HN 0.408 nan 8.240 nan 0.000 0.526 820 S N 2.140 117.895 115.700 0.090 0.000 2.576 820 S HA 0.205 4.676 4.470 0.001 0.000 0.272 820 S C -1.746 172.831 174.600 -0.037 0.000 1.352 820 S CA -1.009 57.197 58.200 0.010 0.000 1.021 820 S CB 0.778 63.959 63.200 -0.032 0.000 0.887 820 S HN 0.028 nan 8.310 nan 0.000 0.542 821 P HA 0.029 nan 4.420 nan 0.000 0.223 821 P C 0.755 177.949 177.300 -0.177 0.000 1.151 821 P CA 0.829 63.869 63.100 -0.100 0.000 0.787 821 P CB -0.024 31.623 31.700 -0.088 0.000 0.788 822 E N -1.476 118.515 120.200 -0.349 0.000 2.204 822 E HA -0.073 4.277 4.350 0.001 0.000 0.194 822 E C 0.706 176.964 176.600 -0.569 0.000 0.989 822 E CA 0.943 56.998 56.400 -0.574 0.000 0.824 822 E CB -0.578 28.427 29.700 -1.159 0.000 0.756 822 E HN 0.302 nan 8.360 nan 0.000 0.477 823 F N -0.321 119.554 119.950 -0.125 0.000 2.641 823 F HA 0.173 4.701 4.527 0.001 0.000 0.302 823 F C 1.793 177.531 175.800 -0.104 0.000 1.098 823 F CA -0.100 57.856 58.000 -0.074 0.000 1.318 823 F CB -0.044 39.019 39.000 0.106 0.000 1.035 823 F HN -0.045 nan 8.300 nan 0.000 0.551 824 S N -1.072 114.640 115.700 0.019 0.000 2.406 824 S HA -0.001 4.470 4.470 0.001 0.000 0.228 824 S C 0.912 175.482 174.600 -0.050 0.000 1.020 824 S CA 0.677 58.875 58.200 -0.003 0.000 0.965 824 S CB -0.388 62.798 63.200 -0.023 0.000 0.798 824 S HN 0.254 nan 8.310 nan 0.000 0.488 825 S N -1.192 114.452 115.700 -0.093 0.000 2.671 825 S HA 0.500 4.970 4.470 0.001 0.000 0.277 825 S C 0.599 175.098 174.600 -0.169 0.000 1.165 825 S CA -0.173 57.956 58.200 -0.118 0.000 0.822 825 S CB 0.872 64.027 63.200 -0.075 0.000 1.150 825 S HN 0.045 nan 8.310 nan 0.000 0.479 826 T N 1.497 115.955 114.554 -0.161 0.000 2.665 826 T HA -0.160 4.190 4.350 0.001 0.000 0.268 826 T C 1.787 176.429 174.700 -0.096 0.000 1.035 826 T CA 1.971 63.980 62.100 -0.152 0.000 1.151 826 T CB -0.551 68.255 68.868 -0.103 0.000 0.862 826 T HN 0.614 nan 8.240 nan 0.000 0.438 827 Q N 0.418 120.178 119.800 -0.067 0.000 2.020 827 Q HA -0.065 4.276 4.340 0.001 0.000 0.202 827 Q C 2.830 178.806 176.000 -0.039 0.000 0.982 827 Q CA 1.535 57.314 55.803 -0.040 0.000 0.838 827 Q CB -0.379 28.340 28.738 -0.031 0.000 0.899 827 Q HN 0.583 nan 8.270 nan 0.000 0.423 828 A N 1.114 123.900 122.820 -0.055 0.000 1.933 828 A HA -0.209 4.112 4.320 0.001 0.000 0.218 828 A C 2.031 179.586 177.584 -0.049 0.000 1.175 828 A CA 1.355 53.358 52.037 -0.056 0.000 0.628 828 A CB -0.399 18.553 19.000 -0.080 0.000 0.814 828 A HN 0.229 nan 8.150 nan 0.000 0.444 829 R N -0.428 120.034 120.500 -0.064 0.000 2.073 829 R HA -0.087 4.253 4.340 0.001 0.000 0.234 829 R C 2.289 178.591 176.300 0.003 0.000 1.134 829 R CA 1.697 57.789 56.100 -0.013 0.000 0.952 829 R CB -0.263 29.975 30.300 -0.104 0.000 0.850 829 R HN 0.472 nan 8.270 nan 0.000 0.433 830 K N 0.625 121.008 120.400 -0.028 0.000 2.057 830 K HA -0.173 4.147 4.320 0.001 0.000 0.207 830 K C 2.022 178.644 176.600 0.037 0.000 1.049 830 K CA 1.534 57.820 56.287 -0.001 0.000 0.931 830 K CB -0.003 32.518 32.500 0.034 0.000 0.714 830 K HN 0.258 nan 8.250 nan 0.000 0.440 831 E N -0.256 119.964 120.200 0.033 0.000 2.038 831 E HA -0.251 4.100 4.350 0.001 0.000 0.195 831 E C 1.935 178.572 176.600 0.062 0.000 1.000 831 E CA 1.571 57.995 56.400 0.041 0.000 0.803 831 E CB -0.244 29.472 29.700 0.027 0.000 0.750 831 E HN 0.321 nan 8.360 nan 0.000 0.448 832 Y N 1.429 121.690 120.300 -0.065 0.000 2.114 832 Y HA -0.201 4.350 4.550 0.001 0.000 0.284 832 Y C 1.992 177.896 175.900 0.007 0.000 1.143 832 Y CA 1.473 59.526 58.100 -0.078 0.000 1.135 832 Y CB -0.316 38.017 38.460 -0.211 0.000 0.980 832 Y HN -0.067 nan 8.280 nan 0.000 0.499 833 L N 0.225 121.411 121.223 -0.061 0.000 2.093 833 L HA -0.234 4.107 4.340 0.001 0.000 0.208 833 L C 2.042 179.007 176.870 0.159 0.000 1.085 833 L CA 1.313 56.141 54.840 -0.021 0.000 0.755 833 L CB -0.665 41.282 42.059 -0.188 0.000 0.904 833 L HN 0.225 nan 8.230 nan 0.000 0.435 834 N N -0.024 118.762 118.700 0.144 0.000 2.289 834 N HA -0.130 4.610 4.740 0.001 0.000 0.184 834 N C 1.567 177.130 175.510 0.089 0.000 1.016 834 N CA 0.885 54.050 53.050 0.192 0.000 0.872 834 N CB -0.039 38.532 38.487 0.140 0.000 0.973 834 N HN 0.245 nan 8.380 nan 0.000 0.433 835 K N 0.056 120.454 120.400 -0.003 0.000 2.365 835 K HA 0.158 4.479 4.320 0.001 0.000 0.197 835 K C 1.620 178.165 176.600 -0.091 0.000 1.042 835 K CA 0.297 56.556 56.287 -0.046 0.000 0.987 835 K CB 0.126 32.587 32.500 -0.065 0.000 0.779 835 K HN 0.261 nan 8.250 nan 0.000 0.484 836 L N -1.070 120.074 121.223 -0.132 0.000 2.470 836 L HA 0.154 4.494 4.340 0.001 0.000 0.219 836 L C -0.096 176.581 176.870 -0.321 0.000 1.071 836 L CA 0.107 54.793 54.840 -0.257 0.000 0.850 836 L CB 0.235 42.056 42.059 -0.398 0.000 1.040 836 L HN -0.051 nan 8.230 nan 0.000 0.475 837 Y N 1.341 121.671 120.300 0.051 0.000 2.388 837 Y HA 0.363 4.914 4.550 0.001 0.000 0.328 837 Y C -2.224 173.707 175.900 0.053 0.000 0.963 837 Y CA -2.996 55.158 58.100 0.091 0.000 1.240 837 Y CB 0.626 39.224 38.460 0.230 0.000 1.118 837 Y HN -0.137 nan 8.280 nan 0.000 0.484 838 P HA 0.070 nan 4.420 nan 0.000 0.274 838 P C -0.187 177.141 177.300 0.047 0.000 1.231 838 P CA -0.521 62.620 63.100 0.070 0.000 0.790 838 P CB 1.106 32.830 31.700 0.039 0.000 0.951 839 M N 3.424 123.025 119.600 0.001 0.000 2.268 839 M HA -0.022 4.458 4.480 0.001 0.000 0.349 839 M C 0.759 177.057 176.300 -0.004 0.000 1.485 839 M CA 0.325 55.588 55.300 -0.061 0.000 1.094 839 M CB -0.022 32.520 32.600 -0.096 0.000 1.843 839 M HN 0.312 nan 8.290 nan 0.000 0.460 840 N N 4.739 123.476 118.700 0.062 0.000 2.197 840 N HA 0.102 4.843 4.740 0.001 0.000 0.228 840 N C -1.169 174.548 175.510 0.346 0.000 1.212 840 N CA -0.154 53.024 53.050 0.214 0.000 0.883 840 N CB 0.188 38.833 38.487 0.263 0.000 1.107 840 N HN 0.706 nan 8.380 nan 0.000 0.519 841 Y N -2.215 118.060 120.300 -0.041 0.000 2.741 841 Y HA 0.626 5.177 4.550 0.001 0.000 0.339 841 Y C -1.657 174.135 175.900 -0.181 0.000 1.226 841 Y CA -1.256 56.720 58.100 -0.208 0.000 1.072 841 Y CB 0.729 38.900 38.460 -0.482 0.000 1.331 841 Y HN -0.153 nan 8.280 nan 0.000 0.453 842 E N 0.780 120.879 120.200 -0.168 0.000 2.227 842 E HA 0.665 5.015 4.350 0.001 0.000 0.268 842 E C -0.671 175.856 176.600 -0.123 0.000 0.907 842 E CA -0.765 55.508 56.400 -0.212 0.000 0.786 842 E CB 2.136 31.757 29.700 -0.130 0.000 1.191 842 E HN 1.226 nan 8.360 nan 0.000 0.411 843 G N 1.894 110.610 108.800 -0.140 0.000 2.539 843 G HA2 -0.132 3.829 3.960 0.001 0.000 0.686 843 G HA3 -0.132 3.829 3.960 0.001 0.000 0.686 843 G C -1.370 173.535 174.900 0.008 0.000 1.258 843 G CA -0.951 44.121 45.100 -0.046 0.000 0.846 843 G HN 0.574 nan 8.290 nan 0.000 0.647 844 D N 0.271 120.702 120.400 0.052 0.000 2.494 844 D HA 0.628 5.269 4.640 0.001 0.000 0.217 844 D C 0.246 176.681 176.300 0.225 0.000 1.153 844 D CA 0.159 54.249 54.000 0.149 0.000 0.954 844 D CB -0.175 40.696 40.800 0.117 0.000 1.034 844 D HN 0.772 nan 8.370 nan 0.000 0.518 845 I N 2.096 122.873 120.570 0.345 0.000 2.793 845 I HA 0.263 4.434 4.170 0.001 0.000 0.295 845 I C -1.588 174.773 176.117 0.407 0.000 1.610 845 I CA -1.140 60.365 61.300 0.342 0.000 0.986 845 I CB 1.323 39.374 38.000 0.085 0.000 1.402 845 I HN 0.032 nan 8.210 nan 0.000 0.500 846 F N 6.309 126.408 119.950 0.248 0.000 2.467 846 F HA 0.733 5.261 4.527 0.001 0.000 0.362 846 F C -0.106 175.561 175.800 -0.222 0.000 1.090 846 F CA 0.167 58.149 58.000 -0.030 0.000 1.202 846 F CB 0.819 39.546 39.000 -0.455 0.000 1.113 846 F HN 0.446 nan 8.300 nan 0.000 0.541 847 A N 6.176 128.241 122.820 -1.258 0.000 2.520 847 A HA 0.605 4.925 4.320 0.001 0.000 0.298 847 A C -1.508 175.497 177.584 -0.964 0.000 1.051 847 A CA -0.675 50.697 52.037 -1.109 0.000 0.690 847 A CB 1.703 19.859 19.000 -1.408 0.000 1.281 847 A HN 0.760 nan 8.150 nan 0.000 0.402 848 Q N 0.960 120.579 119.800 -0.302 0.000 2.315 848 Q HA 0.484 4.824 4.340 0.001 0.000 0.273 848 Q C -1.391 174.599 176.000 -0.017 0.000 1.053 848 Q CA -0.586 55.153 55.803 -0.106 0.000 0.817 848 Q CB 1.999 30.695 28.738 -0.070 0.000 1.326 848 Q HN 0.715 nan 8.270 nan 0.000 0.423 849 K N 4.090 124.201 120.400 -0.482 0.000 2.185 849 K HA 0.534 4.855 4.320 0.001 0.000 0.269 849 K C -1.410 175.041 176.600 -0.248 0.000 0.987 849 K CA -0.442 55.387 56.287 -0.764 0.000 0.865 849 K CB 0.835 32.358 32.500 -1.628 0.000 1.090 849 K HN 0.611 nan 8.250 nan 0.000 0.450 850 L N 4.847 126.061 121.223 -0.015 0.000 2.376 850 L HA 0.189 4.530 4.340 0.001 0.000 0.275 850 L C -0.051 176.869 176.870 0.083 0.000 0.987 850 L CA -0.408 54.476 54.840 0.073 0.000 0.828 850 L CB 1.647 43.829 42.059 0.205 0.000 1.249 850 L HN 1.067 nan 8.230 nan 0.000 0.409 851 D N 1.965 122.385 120.400 0.033 0.000 3.910 851 D HA -0.392 4.248 4.640 0.001 0.000 0.153 851 D C 0.331 176.658 176.300 0.045 0.000 0.802 851 D CA 2.069 56.098 54.000 0.048 0.000 1.009 851 D CB -0.394 40.458 40.800 0.087 0.000 0.453 851 D HN 0.659 nan 8.370 nan 0.000 0.422 852 N N 0.049 118.812 118.700 0.106 0.000 2.313 852 N HA 0.203 4.944 4.740 0.001 0.000 0.207 852 N C -0.497 175.172 175.510 0.265 0.000 1.141 852 N CA -0.191 52.966 53.050 0.178 0.000 0.830 852 N CB 0.183 38.755 38.487 0.142 0.000 1.008 852 N HN 0.201 nan 8.380 nan 0.000 0.481 853 R N 0.031 120.624 120.500 0.156 0.000 2.393 853 R HA 0.251 4.592 4.340 0.001 0.000 0.315 853 R C -1.305 174.989 176.300 -0.010 0.000 0.952 853 R CA -0.644 55.530 56.100 0.123 0.000 0.842 853 R CB 1.218 31.524 30.300 0.010 0.000 1.163 853 R HN 0.150 nan 8.270 nan 0.000 0.450 854 W N 3.376 124.752 121.300 0.127 0.000 2.322 854 W HA 0.311 4.972 4.660 0.001 0.000 0.307 854 W C -0.452 176.074 176.519 0.011 0.000 1.220 854 W CA -0.233 57.141 57.345 0.048 0.000 1.210 854 W CB 0.710 30.113 29.460 -0.095 0.000 1.223 854 W HN 0.419 nan 8.180 nan 0.000 0.511 855 F N 3.467 123.672 119.950 0.425 0.000 2.427 855 F HA 0.595 5.123 4.527 0.001 0.000 0.346 855 F C -0.053 175.978 175.800 0.386 0.000 1.120 855 F CA -1.032 57.210 58.000 0.403 0.000 1.033 855 F CB 0.988 40.209 39.000 0.368 0.000 1.126 855 F HN -0.182 nan 8.300 nan 0.000 0.462 856 V N 3.771 124.051 119.914 0.610 0.000 2.760 856 V HA 0.538 4.659 4.120 0.001 0.000 0.309 856 V C -1.257 175.279 176.094 0.736 0.000 1.077 856 V CA -1.024 61.528 62.300 0.419 0.000 0.910 856 V CB 1.961 33.843 31.823 0.099 0.000 1.008 856 V HN 0.614 nan 8.190 nan 0.000 0.424 857 Y N 1.347 122.041 120.300 0.656 0.000 2.571 857 Y HA 0.594 5.145 4.550 0.001 0.000 0.341 857 Y C -0.689 175.527 175.900 0.527 0.000 1.076 857 Y CA -1.721 56.782 58.100 0.670 0.000 1.029 857 Y CB 1.353 40.144 38.460 0.553 0.000 1.308 857 Y HN 0.561 nan 8.280 nan 0.000 0.461 858 N N 2.129 121.288 118.700 0.765 0.000 2.442 858 N HA -0.016 4.724 4.740 0.001 0.000 0.265 858 N C -0.028 175.768 175.510 0.477 0.000 1.138 858 N CA -0.051 53.259 53.050 0.433 0.000 0.956 858 N CB 0.439 39.097 38.487 0.284 0.000 1.067 858 N HN 0.911 nan 8.380 nan 0.000 0.474 859 Y N 2.351 122.916 120.300 0.441 0.000 2.490 859 Y HA 0.341 4.892 4.550 0.001 0.000 0.281 859 Y C 0.235 176.264 175.900 0.214 0.000 1.174 859 Y CA -0.534 57.809 58.100 0.406 0.000 1.295 859 Y CB 0.010 38.717 38.460 0.411 0.000 1.062 859 Y HN 0.096 nan 8.280 nan 0.000 0.522 860 K N 1.356 121.751 120.400 -0.008 0.000 2.448 860 K HA 0.076 4.397 4.320 0.001 0.000 0.278 860 K C 0.827 177.505 176.600 0.129 0.000 1.009 860 K CA 0.169 56.478 56.287 0.037 0.000 0.995 860 K CB 2.267 34.736 32.500 -0.052 0.000 0.917 860 K HN 0.207 nan 8.250 nan 0.000 0.481 861 V N 1.995 122.030 119.914 0.202 0.000 2.436 861 V HA -0.074 4.046 4.120 0.001 0.000 0.240 861 V C 1.275 177.614 176.094 0.408 0.000 1.040 861 V CA 1.287 63.758 62.300 0.286 0.000 1.052 861 V CB -0.213 31.710 31.823 0.165 0.000 0.707 861 V HN 0.857 nan 8.190 nan 0.000 0.469 862 N N 0.179 119.045 118.700 0.277 0.000 2.475 862 N HA 0.150 4.891 4.740 0.001 0.000 0.272 862 N C -1.009 174.746 175.510 0.407 0.000 1.482 862 N CA -0.009 53.212 53.050 0.284 0.000 0.863 862 N CB 0.540 39.026 38.487 -0.002 0.000 1.400 862 N HN 0.356 nan 8.380 nan 0.000 0.489 863 E N 0.326 120.779 120.200 0.423 0.000 2.246 863 E HA 0.202 4.553 4.350 0.001 0.000 0.266 863 E C -1.035 175.543 176.600 -0.036 0.000 0.880 863 E CA -0.696 55.821 56.400 0.195 0.000 0.762 863 E CB 1.179 30.922 29.700 0.071 0.000 1.180 863 E HN 0.036 nan 8.360 nan 0.000 0.416 864 N N 2.489 120.877 118.700 -0.521 0.000 2.895 864 N HA 0.160 4.901 4.740 0.001 0.000 0.277 864 N C -1.565 173.724 175.510 -0.369 0.000 1.185 864 N CA -0.025 52.504 53.050 -0.868 0.000 1.106 864 N CB 0.129 37.782 38.487 -1.390 0.000 1.422 864 N HN 0.212 nan 8.380 nan 0.000 0.521 865 V N 2.549 122.334 119.914 -0.215 0.000 2.483 865 V HA 0.285 4.406 4.120 0.001 0.000 0.297 865 V C 0.199 176.235 176.094 -0.097 0.000 1.027 865 V CA -1.022 61.197 62.300 -0.135 0.000 0.855 865 V CB 1.706 33.465 31.823 -0.107 0.000 0.995 865 V HN 0.284 nan 8.190 nan 0.000 0.424 866 K N 3.165 123.527 120.400 -0.063 0.000 2.355 866 K HA 0.366 4.686 4.320 0.001 0.000 0.270 866 K C -0.136 176.452 176.600 -0.019 0.000 1.003 866 K CA 0.331 56.610 56.287 -0.015 0.000 0.957 866 K CB 0.410 32.910 32.500 0.000 0.000 0.939 866 K HN 0.679 nan 8.250 nan 0.000 0.482 867 Q N 0.305 120.116 119.800 0.018 0.000 2.413 867 Q HA 0.512 4.852 4.340 0.001 0.000 0.276 867 Q C -1.025 174.971 176.000 -0.006 0.000 1.099 867 Q CA -1.003 54.794 55.803 -0.009 0.000 0.814 867 Q CB 2.391 31.104 28.738 -0.042 0.000 1.379 867 Q HN 0.768 nan 8.270 nan 0.000 0.436 868 T N -2.230 112.302 114.554 -0.036 0.000 2.909 868 T HA 0.874 5.225 4.350 0.001 0.000 0.299 868 T C -0.355 174.291 174.700 -0.091 0.000 1.073 868 T CA -0.790 61.267 62.100 -0.073 0.000 0.999 868 T CB 1.906 70.744 68.868 -0.050 0.000 1.098 868 T HN 0.707 nan 8.240 nan 0.000 0.477 869 G N 0.813 109.517 108.800 -0.160 0.000 2.690 869 G HA2 0.610 4.570 3.960 0.001 0.000 0.293 869 G HA3 0.610 4.570 3.960 0.001 0.000 0.293 869 G C -1.832 172.935 174.900 -0.222 0.000 1.399 869 G CA -1.011 43.994 45.100 -0.158 0.000 0.890 869 G HN 0.829 nan 8.290 nan 0.000 0.485 870 K N 1.470 121.751 120.400 -0.198 0.000 2.394 870 K HA 0.550 4.871 4.320 0.001 0.000 0.260 870 K C -0.990 175.395 176.600 -0.359 0.000 0.967 870 K CA -0.703 55.441 56.287 -0.237 0.000 0.855 870 K CB 0.889 33.299 32.500 -0.151 0.000 1.101 870 K HN 0.208 nan 8.250 nan 0.000 0.433 871 L N 3.346 124.243 121.223 -0.543 0.000 2.334 871 L HA 0.545 4.886 4.340 0.001 0.000 0.273 871 L C -0.286 176.256 176.870 -0.546 0.000 1.013 871 L CA -0.754 53.531 54.840 -0.925 0.000 0.816 871 L CB 1.375 42.423 42.059 -1.684 0.000 1.278 871 L HN 0.647 nan 8.230 nan 0.000 0.431 872 K N 2.028 122.217 120.400 -0.353 0.000 2.316 872 K HA 0.611 4.931 4.320 0.001 0.000 0.251 872 K C -1.400 175.204 176.600 0.007 0.000 0.934 872 K CA -0.322 55.931 56.287 -0.057 0.000 0.802 872 K CB 2.030 34.555 32.500 0.041 0.000 1.171 872 K HN 0.238 nan 8.250 nan 0.000 0.426 873 F N 2.945 123.039 119.950 0.241 0.000 2.359 873 F HA 0.232 4.760 4.527 0.001 0.000 0.370 873 F C 0.558 176.444 175.800 0.143 0.000 1.077 873 F CA -0.655 57.476 58.000 0.219 0.000 1.136 873 F CB 0.095 39.219 39.000 0.207 0.000 1.387 873 F HN 0.743 nan 8.300 nan 0.000 0.468 874 N N 0.652 119.499 118.700 0.245 0.000 1.613 874 N HA -0.416 4.325 4.740 0.001 0.000 0.146 874 N C 1.461 177.070 175.510 0.166 0.000 0.527 874 N CA 2.326 55.474 53.050 0.165 0.000 1.174 874 N CB -0.983 37.592 38.487 0.147 0.000 1.340 874 N HN 0.526 nan 8.380 nan 0.000 0.437 875 S N -0.739 115.060 115.700 0.165 0.000 2.665 875 S HA 0.264 4.735 4.470 0.001 0.000 0.240 875 S C 0.205 174.880 174.600 0.124 0.000 1.081 875 S CA -0.368 57.899 58.200 0.111 0.000 0.887 875 S CB 0.150 63.407 63.200 0.094 0.000 0.805 875 S HN 0.392 nan 8.310 nan 0.000 0.486 876 L N 3.125 124.460 121.223 0.185 0.000 2.410 876 L HA 0.474 4.815 4.340 0.001 0.000 0.273 876 L C -0.162 176.840 176.870 0.219 0.000 1.144 876 L CA 0.413 55.375 54.840 0.203 0.000 0.863 876 L CB 0.681 42.898 42.059 0.265 0.000 1.140 876 L HN 0.395 nan 8.230 nan 0.000 0.463 877 E N 5.580 125.852 120.200 0.121 0.000 2.158 877 E HA 0.392 4.742 4.350 0.001 0.000 0.271 877 E C -1.128 175.490 176.600 0.030 0.000 0.911 877 E CA -0.567 55.865 56.400 0.053 0.000 0.767 877 E CB 1.302 31.009 29.700 0.013 0.000 1.120 877 E HN 0.705 nan 8.360 nan 0.000 0.405 878 M N 5.272 124.854 119.600 -0.031 0.000 2.085 878 M HA 0.396 4.877 4.480 0.001 0.000 0.309 878 M C -1.634 174.544 176.300 -0.204 0.000 0.947 878 M CA -0.528 54.721 55.300 -0.086 0.000 0.918 878 M CB 0.886 33.464 32.600 -0.036 0.000 1.504 878 M HN 0.393 nan 8.290 nan 0.000 0.420 879 N N 4.420 123.027 118.700 -0.155 0.000 2.430 879 N HA 0.571 5.312 4.740 0.001 0.000 0.292 879 N C -1.000 174.406 175.510 -0.172 0.000 1.051 879 N CA -0.362 52.587 53.050 -0.169 0.000 0.917 879 N CB 2.451 40.875 38.487 -0.104 0.000 1.164 879 N HN 0.556 nan 8.380 nan 0.000 0.484 880 V N -1.018 118.762 119.914 -0.224 0.000 2.823 880 V HA 0.605 4.726 4.120 0.001 0.000 0.312 880 V C -0.431 175.604 176.094 -0.098 0.000 1.072 880 V CA -0.857 61.333 62.300 -0.184 0.000 0.937 880 V CB 2.249 33.816 31.823 -0.427 0.000 1.013 880 V HN 0.704 nan 8.190 nan 0.000 0.430 881 E N 2.578 122.832 120.200 0.089 0.000 2.244 881 E HA 0.570 4.920 4.350 0.001 0.000 0.260 881 E C -2.195 174.654 176.600 0.417 0.000 0.884 881 E CA -0.591 55.898 56.400 0.149 0.000 0.777 881 E CB 1.547 31.302 29.700 0.092 0.000 1.197 881 E HN 0.649 nan 8.360 nan 0.000 0.416 882 F N 2.475 122.455 119.950 0.049 0.000 2.467 882 F HA 0.346 4.874 4.527 0.001 0.000 0.336 882 F C 0.686 176.512 175.800 0.043 0.000 1.123 882 F CA -1.104 56.942 58.000 0.076 0.000 0.964 882 F CB 1.589 40.660 39.000 0.119 0.000 1.136 882 F HN 0.433 nan 8.300 nan 0.000 0.447 883 E N 3.935 124.233 120.200 0.163 0.000 2.391 883 E HA 0.174 4.525 4.350 0.001 0.000 0.255 883 E C -2.233 174.410 176.600 0.073 0.000 1.187 883 E CA -1.507 54.942 56.400 0.082 0.000 0.941 883 E CB 0.236 29.971 29.700 0.057 0.000 1.010 883 E HN 0.208 nan 8.360 nan 0.000 0.458 884 P HA -0.073 nan 4.420 nan 0.000 0.269 884 P C -1.170 176.045 177.300 -0.142 0.000 1.211 884 P CA 0.578 63.573 63.100 -0.174 0.000 0.781 884 P CB 0.127 31.661 31.700 -0.276 0.000 0.877 885 H N -2.272 116.904 119.070 0.177 0.000 2.756 885 H HA -0.112 4.445 4.556 0.001 0.000 0.315 885 H C -0.682 174.707 175.328 0.102 0.000 1.210 885 H CA 0.549 56.676 56.048 0.131 0.000 1.150 885 H CB -2.674 27.141 29.762 0.088 0.000 1.463 885 H HN 0.244 nan 8.280 nan 0.000 0.427 886 T N 1.052 115.705 114.554 0.165 0.000 2.937 886 T HA 0.483 4.834 4.350 0.001 0.000 0.297 886 T C -0.521 174.298 174.700 0.199 0.000 0.991 886 T CA -0.923 61.171 62.100 -0.010 0.000 0.990 886 T CB 1.070 69.773 68.868 -0.275 0.000 0.991 886 T HN 0.397 nan 8.240 nan 0.000 0.440 887 Y N 0.255 120.606 120.300 0.085 0.000 2.524 887 Y HA 0.922 5.473 4.550 0.001 0.000 0.344 887 Y C -0.086 175.934 175.900 0.201 0.000 1.012 887 Y CA -1.416 56.880 58.100 0.327 0.000 1.068 887 Y CB 1.536 40.210 38.460 0.356 0.000 1.249 887 Y HN 0.775 nan 8.280 nan 0.000 0.468 888 G N 2.309 111.473 108.800 0.605 0.000 2.620 888 G HA2 0.662 4.622 3.960 0.001 0.000 0.301 888 G HA3 0.662 4.622 3.960 0.001 0.000 0.301 888 G C -1.932 172.975 174.900 0.011 0.000 1.347 888 G CA -1.122 44.100 45.100 0.203 0.000 0.971 888 G HN 0.752 nan 8.290 nan 0.000 0.488 889 I N 0.846 121.098 120.570 -0.530 0.000 2.410 889 I HA 0.397 4.568 4.170 0.001 0.000 0.286 889 I C -1.251 174.421 176.117 -0.742 0.000 1.009 889 I CA -0.561 60.378 61.300 -0.601 0.000 1.111 889 I CB 1.836 39.405 38.000 -0.717 0.000 1.262 889 I HN 0.251 nan 8.210 nan 0.000 0.443 890 F N 4.504 124.408 119.950 -0.077 0.000 2.403 890 F HA 0.412 4.940 4.527 0.001 0.000 0.355 890 F C 0.267 176.156 175.800 0.148 0.000 1.119 890 F CA -0.584 57.470 58.000 0.089 0.000 1.007 890 F CB 1.371 40.551 39.000 0.299 0.000 1.194 890 F HN 0.423 nan 8.300 nan 0.000 0.443 891 E N 3.235 123.504 120.200 0.115 0.000 2.165 891 E HA 0.394 4.744 4.350 0.001 0.000 0.266 891 E C -0.569 175.980 176.600 -0.086 0.000 0.889 891 E CA -1.201 55.235 56.400 0.059 0.000 0.756 891 E CB 1.000 30.707 29.700 0.012 0.000 1.131 891 E HN 0.463 nan 8.360 nan 0.000 0.411 892 R N 4.764 125.140 120.500 -0.206 0.000 2.370 892 R HA 0.224 4.565 4.340 0.001 0.000 0.309 892 R C -0.347 175.876 176.300 -0.128 0.000 1.059 892 R CA 0.222 56.138 56.100 -0.307 0.000 0.981 892 R CB -0.113 29.980 30.300 -0.346 0.000 0.972 892 R HN 0.545 nan 8.270 nan 0.000 0.437 893 I N 0.670 121.146 120.570 -0.157 0.000 3.067 893 I HA 0.442 4.613 4.170 0.001 0.000 0.312 893 I C 1.114 177.125 176.117 -0.176 0.000 1.073 893 I CA -0.824 60.398 61.300 -0.129 0.000 1.016 893 I CB 2.168 40.099 38.000 -0.116 0.000 1.227 893 I HN 0.633 nan 8.210 nan 0.000 0.456 894 S N 1.577 117.184 115.700 -0.154 0.000 2.374 894 S HA -0.238 4.233 4.470 0.001 0.000 0.227 894 S C 1.169 175.624 174.600 -0.242 0.000 1.037 894 S CA 1.765 59.868 58.200 -0.161 0.000 1.024 894 S CB -0.953 62.170 63.200 -0.129 0.000 0.861 894 S HN 0.914 nan 8.310 nan 0.000 0.456 895 N N 1.754 120.257 118.700 -0.328 0.000 2.268 895 N HA 0.427 5.168 4.740 0.001 0.000 0.204 895 N C 0.740 175.888 175.510 -0.602 0.000 1.124 895 N CA 0.479 53.261 53.050 -0.447 0.000 0.838 895 N CB 0.436 38.578 38.487 -0.576 0.000 0.994 895 N HN 0.624 nan 8.380 nan 0.000 0.489 896 G N -0.296 108.099 108.800 -0.674 0.000 2.458 896 G HA2 0.246 4.206 3.960 0.001 0.000 0.066 896 G HA3 0.246 4.206 3.960 0.001 0.000 0.066 896 G C -2.152 172.425 174.900 -0.538 0.000 0.986 896 G CA -0.404 43.988 45.100 -1.180 0.000 1.131 896 G HN 0.276 nan 8.290 nan 0.000 0.453 897 L N 0.469 121.610 121.223 -0.137 0.000 2.470 897 L HA 0.820 5.161 4.340 0.001 0.000 0.268 897 L C -0.662 176.223 176.870 0.025 0.000 0.964 897 L CA -0.674 54.175 54.840 0.014 0.000 0.839 897 L CB 2.065 44.260 42.059 0.228 0.000 1.276 897 L HN 0.745 nan 8.230 nan 0.000 0.403 898 K N 3.530 123.907 120.400 -0.038 0.000 2.172 898 K HA 0.748 5.069 4.320 0.001 0.000 0.276 898 K C -1.678 174.801 176.600 -0.202 0.000 1.013 898 K CA -0.329 55.902 56.287 -0.094 0.000 0.913 898 K CB 1.505 33.972 32.500 -0.055 0.000 1.055 898 K HN 0.378 nan 8.250 nan 0.000 0.461 899 V N 5.077 124.736 119.914 -0.426 0.000 2.483 899 V HA 0.407 4.528 4.120 0.001 0.000 0.297 899 V C -0.815 174.913 176.094 -0.610 0.000 1.027 899 V CA -0.948 60.958 62.300 -0.656 0.000 0.855 899 V CB 1.711 32.932 31.823 -1.004 0.000 0.995 899 V HN 0.850 nan 8.190 nan 0.000 0.424 900 N N 4.102 122.464 118.700 -0.563 0.000 2.407 900 N HA 0.640 5.381 4.740 0.001 0.000 0.277 900 N C -1.424 173.817 175.510 -0.449 0.000 0.995 900 N CA -0.457 52.344 53.050 -0.415 0.000 0.903 900 N CB 2.930 41.219 38.487 -0.330 0.000 1.218 900 N HN 0.488 nan 8.380 nan 0.000 0.487 901 L N 2.767 123.782 121.223 -0.347 0.000 2.386 901 L HA 0.522 4.863 4.340 0.001 0.000 0.271 901 L C -1.083 175.564 176.870 -0.372 0.000 0.993 901 L CA -0.492 54.146 54.840 -0.336 0.000 0.819 901 L CB 1.732 43.664 42.059 -0.211 0.000 1.294 901 L HN 0.426 nan 8.230 nan 0.000 0.414 902 N N 3.047 121.398 118.700 -0.581 0.000 2.480 902 N HA 0.364 5.104 4.740 0.001 0.000 0.289 902 N C -1.193 174.044 175.510 -0.454 0.000 1.073 902 N CA -0.238 52.463 53.050 -0.580 0.000 0.885 902 N CB 1.335 39.272 38.487 -0.917 0.000 1.421 902 N HN 0.768 nan 8.380 nan 0.000 0.503 903 N N 3.359 121.957 118.700 -0.171 0.000 2.377 903 N HA 0.055 4.796 4.740 0.001 0.000 0.259 903 N C -0.627 174.935 175.510 0.086 0.000 1.332 903 N CA -0.438 52.581 53.050 -0.050 0.000 0.877 903 N CB -0.600 37.842 38.487 -0.075 0.000 1.299 903 N HN 0.225 nan 8.380 nan 0.000 0.501 904 F N 2.577 122.506 119.950 -0.035 0.000 2.571 904 F HA 0.269 4.797 4.527 0.001 0.000 0.384 904 F C 0.493 176.330 175.800 0.062 0.000 1.058 904 F CA -0.100 57.918 58.000 0.029 0.000 1.200 904 F CB 0.395 39.411 39.000 0.027 0.000 1.077 904 F HN 0.183 nan 8.300 nan 0.000 0.558 905 R N 4.708 124.922 120.500 -0.477 0.000 2.585 905 R HA 0.229 4.569 4.340 0.001 0.000 0.288 905 R C -0.923 175.139 176.300 -0.398 0.000 1.194 905 R CA -0.379 55.486 56.100 -0.391 0.000 1.006 905 R CB 0.883 31.099 30.300 -0.139 0.000 1.229 905 R HN 0.784 nan 8.270 nan 0.000 0.412 906 T N 0.474 114.772 114.554 -0.428 0.000 2.816 906 T HA 0.214 4.564 4.350 0.001 0.000 0.282 906 T C 0.270 174.905 174.700 -0.108 0.000 0.993 906 T CA -0.702 61.270 62.100 -0.214 0.000 0.994 906 T CB 1.082 69.877 68.868 -0.121 0.000 1.025 906 T HN 0.460 nan 8.240 nan 0.000 0.529 907 N N 0.882 119.556 118.700 -0.044 0.000 2.406 907 N HA 0.207 4.948 4.740 0.001 0.000 0.251 907 N C 0.409 175.912 175.510 -0.012 0.000 1.069 907 N CA -0.563 52.472 53.050 -0.025 0.000 0.947 907 N CB 0.691 39.185 38.487 0.012 0.000 1.111 907 N HN 0.466 nan 8.380 nan 0.000 0.497 908 K N 2.167 122.527 120.400 -0.067 0.000 2.374 908 K HA 0.075 4.396 4.320 0.001 0.000 0.196 908 K C 0.133 176.711 176.600 -0.036 0.000 1.023 908 K CA -0.042 56.182 56.287 -0.105 0.000 1.103 908 K CB 0.475 32.833 32.500 -0.235 0.000 0.848 908 K HN 0.518 nan 8.250 nan 0.000 0.528 909 D N 1.221 121.631 120.400 0.017 0.000 2.158 909 D HA -0.163 4.478 4.640 0.001 0.000 0.197 909 D C 1.800 178.132 176.300 0.053 0.000 0.995 909 D CA 1.621 55.666 54.000 0.075 0.000 0.846 909 D CB -0.059 40.767 40.800 0.042 0.000 0.941 909 D HN 0.225 nan 8.370 nan 0.000 0.456 910 S N 0.110 115.806 115.700 -0.006 0.000 2.419 910 S HA -0.145 4.325 4.470 0.001 0.000 0.235 910 S C 2.130 176.624 174.600 -0.176 0.000 1.019 910 S CA 0.610 58.785 58.200 -0.042 0.000 0.982 910 S CB -0.659 62.541 63.200 0.000 0.000 0.789 910 S HN 0.291 nan 8.310 nan 0.000 0.490 911 L N -1.429 119.562 121.223 -0.386 0.000 2.275 911 L HA 0.068 4.409 4.340 0.001 0.000 0.215 911 L C 1.726 178.130 176.870 -0.776 0.000 1.119 911 L CA 0.986 55.346 54.840 -0.800 0.000 0.790 911 L CB -0.344 40.967 42.059 -1.246 0.000 0.919 911 L HN 0.442 nan 8.230 nan 0.000 0.443 912 W N -1.443 119.793 121.300 -0.107 0.000 2.991 912 W HA 0.227 4.888 4.660 0.001 0.000 0.391 912 W C 1.139 177.695 176.519 0.062 0.000 1.054 912 W CA -0.579 56.785 57.345 0.031 0.000 1.856 912 W CB 0.088 29.616 29.460 0.114 0.000 1.132 912 W HN -0.195 nan 8.180 nan 0.000 0.601 913 S N 2.146 117.925 115.700 0.132 0.000 2.559 913 S HA -0.116 4.354 4.470 0.001 0.000 0.282 913 S C 0.900 175.556 174.600 0.093 0.000 1.336 913 S CA 0.381 58.637 58.200 0.093 0.000 1.037 913 S CB 0.108 63.321 63.200 0.021 0.000 0.853 913 S HN 0.437 nan 8.310 nan 0.000 0.523 914 N N -1.267 117.483 118.700 0.083 0.000 2.909 914 N HA -0.189 4.551 4.740 0.001 0.000 0.242 914 N C -0.464 175.095 175.510 0.082 0.000 0.975 914 N CA 1.246 54.334 53.050 0.063 0.000 0.921 914 N CB -1.446 37.058 38.487 0.029 0.000 1.112 914 N HN 0.756 nan 8.380 nan 0.000 0.581 915 A N 0.019 122.929 122.820 0.150 0.000 2.410 915 A HA 0.622 4.943 4.320 0.001 0.000 0.289 915 A C 0.703 178.420 177.584 0.222 0.000 1.200 915 A CA -0.428 51.693 52.037 0.140 0.000 0.751 915 A CB 1.038 20.125 19.000 0.145 0.000 1.161 915 A HN 0.025 nan 8.150 nan 0.000 0.459 916 Q N 0.693 120.576 119.800 0.138 0.000 2.398 916 Q HA 0.130 4.470 4.340 0.001 0.000 0.204 916 Q C -0.069 176.075 176.000 0.241 0.000 0.932 916 Q CA 1.399 57.314 55.803 0.186 0.000 0.916 916 Q CB 0.468 29.270 28.738 0.107 0.000 1.024 916 Q HN 0.949 nan 8.270 nan 0.000 0.504 917 D N -3.440 117.008 120.400 0.080 0.000 2.664 917 D HA 0.421 5.061 4.640 0.001 0.000 0.292 917 D C 0.086 176.061 176.300 -0.543 0.000 1.214 917 D CA -0.273 53.724 54.000 -0.005 0.000 0.932 917 D CB 0.145 40.952 40.800 0.011 0.000 1.420 917 D HN -0.149 nan 8.370 nan 0.000 0.471 918 A N 0.091 122.592 122.820 -0.532 0.000 1.933 918 A HA -0.229 4.092 4.320 0.001 0.000 0.218 918 A C 1.814 179.080 177.584 -0.529 0.000 1.175 918 A CA 1.821 53.347 52.037 -0.852 0.000 0.628 918 A CB -1.126 17.604 19.000 -0.449 0.000 0.814 918 A HN 0.714 nan 8.150 nan 0.000 0.444 919 N N -0.497 118.025 118.700 -0.296 0.000 2.069 919 N HA -0.235 4.506 4.740 0.001 0.000 0.191 919 N C 1.916 177.312 175.510 -0.190 0.000 1.031 919 N CA 1.791 54.725 53.050 -0.194 0.000 0.852 919 N CB -0.149 38.268 38.487 -0.117 0.000 1.018 919 N HN 0.695 nan 8.380 nan 0.000 0.423 920 Q N 0.063 119.742 119.800 -0.201 0.000 2.119 920 Q HA -0.014 4.327 4.340 0.001 0.000 0.201 920 Q C 2.193 178.095 176.000 -0.163 0.000 0.972 920 Q CA 1.324 57.039 55.803 -0.147 0.000 0.847 920 Q CB -0.088 28.594 28.738 -0.094 0.000 0.903 920 Q HN 0.433 nan 8.270 nan 0.000 0.433 921 A N 1.708 124.327 122.820 -0.336 0.000 1.902 921 A HA -0.215 4.106 4.320 0.001 0.000 0.217 921 A C 2.017 179.554 177.584 -0.079 0.000 1.181 921 A CA 1.499 53.401 52.037 -0.225 0.000 0.623 921 A CB -0.435 18.122 19.000 -0.738 0.000 0.818 921 A HN 0.204 nan 8.150 nan 0.000 0.443 922 K N -0.138 120.152 120.400 -0.183 0.000 2.211 922 K HA -0.145 4.175 4.320 0.001 0.000 0.204 922 K C 1.343 177.923 176.600 -0.033 0.000 1.047 922 K CA 1.651 57.887 56.287 -0.085 0.000 0.935 922 K CB -0.108 32.319 32.500 -0.122 0.000 0.728 922 K HN 0.447 nan 8.250 nan 0.000 0.452 923 K N 0.316 120.687 120.400 -0.048 0.000 2.358 923 K HA 0.173 4.493 4.320 0.001 0.000 0.197 923 K C 0.102 176.690 176.600 -0.019 0.000 1.025 923 K CA -0.300 55.968 56.287 -0.030 0.000 1.104 923 K CB 0.311 32.787 32.500 -0.040 0.000 0.855 923 K HN 0.068 nan 8.250 nan 0.000 0.531 924 L N 3.161 124.378 121.223 -0.010 0.000 2.492 924 L HA 0.019 4.360 4.340 0.001 0.000 0.280 924 L C -1.859 174.992 176.870 -0.032 0.000 1.240 924 L CA -1.474 53.355 54.840 -0.018 0.000 0.831 924 L CB -0.259 41.789 42.059 -0.018 0.000 1.100 924 L HN -0.029 nan 8.230 nan 0.000 0.505 925 P HA 0.004 nan 4.420 nan 0.000 0.271 925 P C -1.111 176.149 177.300 -0.067 0.000 1.218 925 P CA -0.417 62.657 63.100 -0.044 0.000 0.780 925 P CB 0.451 32.126 31.700 -0.042 0.000 0.901 926 Q N 1.660 121.431 119.800 -0.048 0.000 2.300 926 Q HA -0.009 4.331 4.340 0.001 0.000 0.280 926 Q C 1.050 176.990 176.000 -0.099 0.000 1.033 926 Q CA -0.054 55.713 55.803 -0.061 0.000 0.903 926 Q CB 0.607 29.333 28.738 -0.020 0.000 1.195 926 Q HN 0.419 nan 8.270 nan 0.000 0.386 927 L N 2.596 123.717 121.223 -0.170 0.000 2.093 927 L HA -0.085 4.255 4.340 0.001 0.000 0.208 927 L C 0.099 176.893 176.870 -0.127 0.000 1.085 927 L CA 1.665 56.380 54.840 -0.209 0.000 0.755 927 L CB -0.084 41.746 42.059 -0.381 0.000 0.904 927 L HN 0.883 nan 8.230 nan 0.000 0.435 928 T N -1.731 112.768 114.554 -0.092 0.000 0.541 928 T HA -0.206 4.145 4.350 0.001 0.000 0.774 928 T C 0.723 175.426 174.700 0.005 0.000 0.992 928 T CA 0.643 62.729 62.100 -0.023 0.000 4.077 928 T CB -0.439 68.425 68.868 -0.006 0.000 2.303 928 T HN 0.559 nan 8.240 nan 0.000 0.398 929 K N 1.806 122.232 120.400 0.044 0.000 1.991 929 K HA -0.108 4.213 4.320 0.001 0.000 0.212 929 K C 2.116 178.765 176.600 0.081 0.000 1.049 929 K CA 2.094 58.422 56.287 0.068 0.000 0.932 929 K CB -0.158 32.291 32.500 -0.085 0.000 0.717 929 K HN 0.576 nan 8.250 nan 0.000 0.441 930 K N -0.402 120.047 120.400 0.081 0.000 2.103 930 K HA -0.111 4.210 4.320 0.001 0.000 0.207 930 K C 2.204 178.880 176.600 0.126 0.000 1.048 930 K CA 1.360 57.744 56.287 0.161 0.000 0.930 930 K CB -0.309 32.304 32.500 0.188 0.000 0.716 930 K HN 0.422 nan 8.250 nan 0.000 0.444 931 G N 1.127 109.969 108.800 0.070 0.000 2.418 931 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 931 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 931 G C 1.617 176.538 174.900 0.035 0.000 1.158 931 G CA 0.934 46.059 45.100 0.041 0.000 0.771 931 G HN 0.359 nan 8.290 nan 0.000 0.545 932 A N 0.655 123.457 122.820 -0.030 0.000 1.898 932 A HA 0.106 4.427 4.320 0.001 0.000 0.216 932 A C 2.387 180.032 177.584 0.102 0.000 1.181 932 A CA 1.155 53.119 52.037 -0.122 0.000 0.620 932 A CB -0.328 18.431 19.000 -0.401 0.000 0.819 932 A HN 0.361 nan 8.150 nan 0.000 0.442 933 I N -0.578 120.107 120.570 0.192 0.000 2.208 933 I HA -0.258 3.913 4.170 0.001 0.000 0.245 933 I C 2.551 178.784 176.117 0.193 0.000 1.097 933 I CA 1.367 62.810 61.300 0.239 0.000 1.363 933 I CB -0.186 37.982 38.000 0.280 0.000 1.051 933 I HN 0.175 nan 8.210 nan 0.000 0.413 934 K N -0.009 120.491 120.400 0.166 0.000 2.097 934 K HA -0.242 4.079 4.320 0.001 0.000 0.206 934 K C 1.942 178.622 176.600 0.133 0.000 1.049 934 K CA 1.555 57.918 56.287 0.127 0.000 0.933 934 K CB -0.403 32.164 32.500 0.111 0.000 0.717 934 K HN 0.418 nan 8.250 nan 0.000 0.442 935 W N 1.486 122.788 121.300 0.004 0.000 2.358 935 W HA -0.133 4.528 4.660 0.001 0.000 0.303 935 W C 1.722 178.267 176.519 0.043 0.000 1.208 935 W CA 1.254 58.619 57.345 0.034 0.000 1.274 935 W CB -0.224 29.168 29.460 -0.113 0.000 1.138 935 W HN -0.059 nan 8.180 nan 0.000 0.515 936 I N 0.670 121.382 120.570 0.237 0.000 2.127 936 I HA -0.344 3.826 4.170 0.001 0.000 0.241 936 I C 2.315 178.434 176.117 0.004 0.000 1.075 936 I CA 1.993 63.381 61.300 0.147 0.000 1.334 936 I CB -0.751 37.408 38.000 0.264 0.000 1.040 936 I HN 0.033 nan 8.210 nan 0.000 0.405 937 E N 0.421 120.630 120.200 0.016 0.000 2.070 937 E HA -0.238 4.113 4.350 0.001 0.000 0.197 937 E C 2.035 178.537 176.600 -0.164 0.000 1.004 937 E CA 1.363 57.742 56.400 -0.034 0.000 0.805 937 E CB -0.013 29.688 29.700 0.001 0.000 0.744 937 E HN 0.504 nan 8.360 nan 0.000 0.451 938 E N -0.748 119.274 120.200 -0.296 0.000 2.276 938 E HA -0.007 4.344 4.350 0.001 0.000 0.193 938 E C 1.269 177.377 176.600 -0.820 0.000 0.983 938 E CA 0.656 56.732 56.400 -0.540 0.000 0.861 938 E CB 0.418 29.720 29.700 -0.663 0.000 0.817 938 E HN 0.443 nan 8.360 nan 0.000 0.485 939 H N -2.287 116.435 119.070 -0.580 0.000 3.398 939 H HA 0.132 4.689 4.556 0.001 0.000 0.260 939 H C 0.447 175.285 175.328 -0.816 0.000 1.189 939 H CA 0.002 55.575 56.048 -0.793 0.000 1.145 939 H CB 0.742 29.746 29.762 -1.264 0.000 1.599 939 H HN 0.100 nan 8.280 nan 0.000 0.615 940 Y N 0.584 120.479 120.300 -0.675 0.000 2.736 940 Y HA 0.142 4.693 4.550 0.001 0.000 0.272 940 Y C 1.990 177.769 175.900 -0.203 0.000 1.118 940 Y CA 0.026 57.874 58.100 -0.421 0.000 1.248 940 Y CB 0.170 38.470 38.460 -0.266 0.000 1.437 940 Y HN -0.127 nan 8.280 nan 0.000 0.481 941 I N 1.879 122.388 120.570 -0.102 0.000 2.226 941 I HA -0.186 3.985 4.170 0.001 0.000 0.245 941 I C 0.616 176.647 176.117 -0.143 0.000 1.100 941 I CA 1.607 62.849 61.300 -0.097 0.000 1.374 941 I CB -1.202 36.789 38.000 -0.015 0.000 1.057 941 I HN 0.251 nan 8.210 nan 0.000 0.413 942 K N -0.279 120.016 120.400 -0.175 0.000 2.433 942 K HA 0.261 4.582 4.320 0.001 0.000 0.252 942 K C -0.636 175.844 176.600 -0.200 0.000 1.015 942 K CA -0.618 55.576 56.287 -0.155 0.000 0.860 942 K CB 2.066 34.493 32.500 -0.121 0.000 1.359 942 K HN -0.166 nan 8.250 nan 0.000 0.452 943 D N 0.435 120.754 120.400 -0.136 0.000 2.751 943 D HA -0.167 4.474 4.640 0.001 0.000 0.233 943 D C -0.349 175.855 176.300 -0.160 0.000 1.149 943 D CA 1.720 55.654 54.000 -0.110 0.000 0.682 943 D CB -1.438 39.297 40.800 -0.108 0.000 1.068 943 D HN 0.767 nan 8.370 nan 0.000 0.429 944 T N -0.162 114.225 114.554 -0.279 0.000 2.930 944 T HA 0.081 4.432 4.350 0.001 0.000 0.306 944 T C 0.471 174.907 174.700 -0.441 0.000 1.045 944 T CA -0.167 61.639 62.100 -0.490 0.000 1.134 944 T CB 0.866 69.237 68.868 -0.827 0.000 0.961 944 T HN -0.083 nan 8.240 nan 0.000 0.545 945 Q N 4.339 123.968 119.800 -0.286 0.000 2.566 945 Q HA 0.237 4.578 4.340 0.001 0.000 0.221 945 Q C -0.569 175.360 176.000 -0.117 0.000 1.195 945 Q CA -0.082 55.655 55.803 -0.111 0.000 0.967 945 Q CB -0.280 28.452 28.738 -0.010 0.000 1.337 945 Q HN 0.640 nan 8.270 nan 0.000 0.553 946 F N 0.181 120.141 119.950 0.017 0.000 2.496 946 F HA 0.236 4.764 4.527 0.001 0.000 0.344 946 F C 1.691 177.487 175.800 -0.007 0.000 1.155 946 F CA 0.285 58.291 58.000 0.009 0.000 1.302 946 F CB 0.450 39.475 39.000 0.042 0.000 1.159 946 F HN 0.379 nan 8.300 nan 0.000 0.595 947 G N 1.230 110.125 108.800 0.158 0.000 2.653 947 G HA2 0.264 4.224 3.960 0.001 0.000 0.265 947 G HA3 0.264 4.224 3.960 0.001 0.000 0.265 947 G C -0.767 174.199 174.900 0.110 0.000 1.237 947 G CA -0.651 44.501 45.100 0.086 0.000 0.946 947 G HN 0.636 nan 8.290 nan 0.000 0.522 948 E N -0.151 120.095 120.200 0.078 0.000 2.313 948 E HA 0.193 4.543 4.350 0.001 0.000 0.272 948 E C -0.027 176.610 176.600 0.061 0.000 1.038 948 E CA -0.369 56.070 56.400 0.065 0.000 0.863 948 E CB 1.099 30.831 29.700 0.053 0.000 1.060 948 E HN 0.282 nan 8.360 nan 0.000 0.402 949 K N 2.674 123.103 120.400 0.048 0.000 2.561 949 K HA -0.052 4.269 4.320 0.001 0.000 0.280 949 K C 0.147 176.775 176.600 0.047 0.000 0.975 949 K CA 0.815 57.131 56.287 0.048 0.000 1.024 949 K CB 0.283 32.803 32.500 0.032 0.000 0.883 949 K HN 0.495 nan 8.250 nan 0.000 0.496 950 R N -0.109 120.420 120.500 0.049 0.000 2.808 950 R HA 0.466 4.807 4.340 0.001 0.000 0.272 950 R C -1.189 175.134 176.300 0.040 0.000 0.995 950 R CA -1.001 55.125 56.100 0.044 0.000 0.917 950 R CB 0.792 31.123 30.300 0.051 0.000 1.217 950 R HN 0.182 nan 8.270 nan 0.000 0.471 951 V N 1.334 121.272 119.914 0.039 0.000 2.509 951 V HA 0.352 4.473 4.120 0.001 0.000 0.284 951 V C -0.120 176.008 176.094 0.057 0.000 1.047 951 V CA -0.142 62.185 62.300 0.046 0.000 0.952 951 V CB 1.647 33.496 31.823 0.043 0.000 0.988 951 V HN 0.823 nan 8.190 nan 0.000 0.469 952 T N 5.467 120.063 114.554 0.071 0.000 2.841 952 T HA 0.489 4.840 4.350 0.001 0.000 0.283 952 T C -0.524 174.267 174.700 0.151 0.000 1.000 952 T CA -0.790 61.380 62.100 0.116 0.000 0.977 952 T CB 1.228 70.137 68.868 0.068 0.000 0.979 952 T HN 0.576 nan 8.240 nan 0.000 0.446 953 K N 2.752 123.262 120.400 0.183 0.000 2.270 953 K HA 0.691 5.012 4.320 0.001 0.000 0.255 953 K C -0.938 175.756 176.600 0.157 0.000 0.936 953 K CA -0.711 55.661 56.287 0.140 0.000 0.809 953 K CB 2.015 34.569 32.500 0.090 0.000 1.131 953 K HN 0.479 nan 8.250 nan 0.000 0.427 954 I N 2.381 123.031 120.570 0.134 0.000 2.478 954 I HA 0.266 4.437 4.170 0.001 0.000 0.287 954 I C -0.868 175.281 176.117 0.053 0.000 1.042 954 I CA -1.161 60.195 61.300 0.093 0.000 1.067 954 I CB 2.063 40.164 38.000 0.169 0.000 1.233 954 I HN 0.175 nan 8.210 nan 0.000 0.431 955 V N 7.082 126.999 119.914 0.004 0.000 2.417 955 V HA 0.467 4.588 4.120 0.001 0.000 0.291 955 V C -0.126 175.958 176.094 -0.017 0.000 1.024 955 V CA -0.530 61.770 62.300 -0.001 0.000 0.861 955 V CB 1.832 33.648 31.823 -0.012 0.000 0.985 955 V HN 0.469 nan 8.190 nan 0.000 0.436 956 L N 5.994 127.209 121.223 -0.013 0.000 2.287 956 L HA 0.639 4.980 4.340 0.001 0.000 0.287 956 L C 0.145 177.001 176.870 -0.023 0.000 1.022 956 L CA -0.522 54.297 54.840 -0.035 0.000 0.814 956 L CB 1.399 43.392 42.059 -0.109 0.000 1.217 956 L HN 0.556 nan 8.230 nan 0.000 0.420 957 R N 1.722 122.219 120.500 -0.005 0.000 2.604 957 R HA 0.628 4.969 4.340 0.001 0.000 0.287 957 R C 0.425 176.744 176.300 0.031 0.000 0.970 957 R CA -0.493 55.619 56.100 0.020 0.000 0.946 957 R CB 1.714 32.024 30.300 0.016 0.000 1.127 957 R HN 0.849 nan 8.270 nan 0.000 0.473 958 G N 2.076 110.912 108.800 0.059 0.000 2.248 958 G HA2 -0.180 3.781 3.960 0.001 0.000 0.252 958 G HA3 -0.180 3.781 3.960 0.001 0.000 0.252 958 G C -0.304 174.631 174.900 0.059 0.000 1.085 958 G CA -0.566 44.565 45.100 0.053 0.000 0.845 958 G HN 0.390 nan 8.290 nan 0.000 0.494 959 I N 0.286 120.921 120.570 0.108 0.000 2.466 959 I HA 0.312 4.483 4.170 0.001 0.000 0.289 959 I C -0.113 176.176 176.117 0.286 0.000 1.026 959 I CA -0.547 60.805 61.300 0.087 0.000 1.078 959 I CB 1.829 39.820 38.000 -0.015 0.000 1.249 959 I HN 0.005 nan 8.210 nan 0.000 0.429 960 D N 4.517 125.051 120.400 0.223 0.000 2.338 960 D HA 0.040 4.681 4.640 0.001 0.000 0.208 960 D C 0.109 176.533 176.300 0.207 0.000 0.997 960 D CA 1.013 55.188 54.000 0.291 0.000 0.880 960 D CB 0.708 41.627 40.800 0.197 0.000 0.980 960 D HN 0.475 nan 8.370 nan 0.000 0.509 961 K N -0.436 119.898 120.400 -0.111 0.000 2.466 961 K HA 0.471 4.792 4.320 0.001 0.000 0.260 961 K C -0.868 175.073 176.600 -1.098 0.000 1.011 961 K CA -1.045 54.900 56.287 -0.570 0.000 0.871 961 K CB 1.088 33.461 32.500 -0.211 0.000 1.404 961 K HN -0.189 nan 8.250 nan 0.000 0.450 962 L N 2.350 122.782 121.223 -1.317 0.000 2.615 962 L HA 0.230 4.571 4.340 0.001 0.000 0.271 962 L C -2.334 174.378 176.870 -0.264 0.000 1.183 962 L CA -0.765 53.624 54.840 -0.753 0.000 0.933 962 L CB -0.490 41.338 42.059 -0.385 0.000 1.199 962 L HN 0.546 nan 8.230 nan 0.000 0.487 963 P HA 0.224 nan 4.420 nan 0.000 0.270 963 P C -1.030 176.315 177.300 0.075 0.000 1.223 963 P CA -0.314 62.849 63.100 0.106 0.000 0.785 963 P CB 0.484 32.302 31.700 0.197 0.000 0.923 964 T N -1.020 113.614 114.554 0.134 0.000 2.918 964 T HA 0.682 5.033 4.350 0.001 0.000 0.286 964 T C -0.003 174.664 174.700 -0.054 0.000 1.026 964 T CA -0.816 61.296 62.100 0.021 0.000 1.031 964 T CB 0.613 69.526 68.868 0.076 0.000 1.046 964 T HN 0.132 nan 8.240 nan 0.000 0.479 965 I N 2.199 122.612 120.570 -0.261 0.000 2.359 965 I HA 0.450 4.620 4.170 0.001 0.000 0.294 965 I C -0.279 175.492 176.117 -0.577 0.000 0.987 965 I CA -0.763 60.386 61.300 -0.250 0.000 1.225 965 I CB 1.011 38.870 38.000 -0.235 0.000 1.366 965 I HN 0.732 nan 8.210 nan 0.000 0.466 966 H N 2.542 121.536 119.070 -0.127 0.000 2.895 966 H HA 0.345 4.901 4.556 0.001 0.000 0.373 966 H C -0.134 175.178 175.328 -0.027 0.000 1.174 966 H CA -0.699 55.264 56.048 -0.142 0.000 1.144 966 H CB 1.884 31.432 29.762 -0.357 0.000 1.793 966 H HN 0.559 nan 8.280 nan 0.000 0.551 967 S N 0.769 116.533 115.700 0.106 0.000 3.614 967 S HA -0.200 4.271 4.470 0.001 0.000 0.360 967 S C -0.178 174.467 174.600 0.075 0.000 1.023 967 S CA 0.150 58.399 58.200 0.082 0.000 1.114 967 S CB -1.219 62.031 63.200 0.084 0.000 0.907 967 S HN 0.471 nan 8.310 nan 0.000 0.470 968 L N 2.225 123.479 121.223 0.052 0.000 2.319 968 L HA 0.641 4.982 4.340 0.001 0.000 0.280 968 L C 0.341 177.211 176.870 0.001 0.000 1.099 968 L CA 0.961 55.818 54.840 0.028 0.000 0.828 968 L CB 0.963 43.004 42.059 -0.030 0.000 1.150 968 L HN 0.472 nan 8.230 nan 0.000 0.442 969 S N 2.765 118.420 115.700 -0.076 0.000 2.615 969 S HA 1.024 5.494 4.470 0.001 0.000 0.269 969 S C -0.524 173.935 174.600 -0.235 0.000 1.161 969 S CA -0.180 57.980 58.200 -0.066 0.000 0.817 969 S CB 1.475 64.673 63.200 -0.005 0.000 1.131 969 S HN 1.248 nan 8.310 nan 0.000 0.467 970 G N -0.090 108.650 108.800 -0.099 0.000 2.320 970 G HA2 0.462 4.423 3.960 0.001 0.000 0.296 970 G HA3 0.462 4.423 3.960 0.001 0.000 0.296 970 G C -0.953 174.004 174.900 0.094 0.000 1.306 970 G CA -0.363 44.668 45.100 -0.116 0.000 0.836 970 G HN 0.970 nan 8.290 nan 0.000 0.517 971 T N 2.338 116.913 114.554 0.036 0.000 2.849 971 T HA 0.089 4.440 4.350 0.001 0.000 0.289 971 T C 0.673 175.412 174.700 0.065 0.000 1.010 971 T CA 0.210 62.306 62.100 -0.007 0.000 1.161 971 T CB -0.142 68.661 68.868 -0.109 0.000 0.989 971 T HN 0.471 nan 8.240 nan 0.000 0.523 972 N N 3.739 122.428 118.700 -0.017 0.000 2.357 972 N HA -0.057 4.683 4.740 0.001 0.000 0.257 972 N C 0.844 176.258 175.510 -0.159 0.000 1.250 972 N CA 0.385 53.395 53.050 -0.068 0.000 0.862 972 N CB -0.374 38.066 38.487 -0.077 0.000 1.066 972 N HN 0.677 nan 8.380 nan 0.000 0.468 973 N N -1.217 117.346 118.700 -0.229 0.000 2.741 973 N HA -0.237 4.504 4.740 0.001 0.000 0.250 973 N C -0.116 175.235 175.510 -0.266 0.000 1.115 973 N CA 0.872 53.754 53.050 -0.280 0.000 0.724 973 N CB -0.917 37.427 38.487 -0.239 0.000 1.090 973 N HN 0.635 nan 8.380 nan 0.000 0.558 974 S N -1.184 114.395 115.700 -0.202 0.000 2.559 974 S HA 0.207 4.678 4.470 0.001 0.000 0.226 974 S C -0.117 174.530 174.600 0.078 0.000 1.000 974 S CA -0.391 57.787 58.200 -0.038 0.000 0.948 974 S CB 0.095 63.335 63.200 0.067 0.000 0.870 974 S HN 0.468 nan 8.310 nan 0.000 0.497 975 Y N -1.065 119.203 120.300 -0.053 0.000 2.519 975 Y HA 0.780 5.331 4.550 0.001 0.000 0.336 975 Y C -1.312 174.556 175.900 -0.053 0.000 1.089 975 Y CA -1.477 56.597 58.100 -0.043 0.000 1.025 975 Y CB 0.330 38.768 38.460 -0.036 0.000 1.318 975 Y HN -0.171 nan 8.280 nan 0.000 0.452 976 D N 1.432 121.868 120.400 0.060 0.000 2.387 976 D HA 0.126 4.767 4.640 0.001 0.000 0.251 976 D C -0.644 175.716 176.300 0.100 0.000 1.141 976 D CA -0.485 53.522 54.000 0.011 0.000 0.987 976 D CB 1.050 41.847 40.800 -0.004 0.000 1.116 976 D HN 0.694 nan 8.370 nan 0.000 0.491 977 Q N 0.922 120.737 119.800 0.025 0.000 2.274 977 Q HA 0.146 4.487 4.340 0.001 0.000 0.280 977 Q C -2.379 173.582 176.000 -0.066 0.000 1.047 977 Q CA -0.722 55.072 55.803 -0.015 0.000 0.907 977 Q CB 0.416 29.126 28.738 -0.047 0.000 1.171 977 Q HN 0.016 nan 8.270 nan 0.000 0.381 978 P HA 0.000 nan 4.420 nan 0.000 0.264 978 P C -1.132 176.098 177.300 -0.115 0.000 1.193 978 P CA 0.261 63.255 63.100 -0.176 0.000 0.763 978 P CB 0.833 32.278 31.700 -0.426 0.000 0.810 979 S N 2.674 118.343 115.700 -0.051 0.000 2.554 979 S HA 0.463 4.934 4.470 0.001 0.000 0.278 979 S C -0.285 174.311 174.600 -0.007 0.000 1.242 979 S CA -0.374 57.810 58.200 -0.026 0.000 1.051 979 S CB 0.255 63.451 63.200 -0.007 0.000 0.986 979 S HN 0.184 nan 8.310 nan 0.000 0.502 980 L N 3.494 124.719 121.223 0.003 0.000 2.356 980 L HA 0.499 4.840 4.340 0.001 0.000 0.277 980 L C -0.181 176.722 176.870 0.055 0.000 0.996 980 L CA -0.349 54.511 54.840 0.033 0.000 0.822 980 L CB 1.316 43.391 42.059 0.028 0.000 1.256 980 L HN 0.581 nan 8.230 nan 0.000 0.413 981 N N 3.185 121.927 118.700 0.070 0.000 2.696 981 N HA 0.209 4.950 4.740 0.001 0.000 0.246 981 N C -1.363 174.211 175.510 0.106 0.000 1.057 981 N CA -0.403 52.689 53.050 0.069 0.000 0.867 981 N CB 0.404 38.909 38.487 0.030 0.000 1.141 981 N HN 0.287 nan 8.380 nan 0.000 0.517 982 F N 2.583 122.523 119.950 -0.017 0.000 2.445 982 F HA 0.314 4.842 4.527 0.001 0.000 0.359 982 F C 0.107 175.887 175.800 -0.032 0.000 1.101 982 F CA -0.773 57.213 58.000 -0.023 0.000 1.177 982 F CB 0.669 39.660 39.000 -0.015 0.000 1.110 982 F HN 0.309 nan 8.300 nan 0.000 0.522 983 D N 5.505 125.516 120.400 -0.648 0.000 2.467 983 D HA 0.080 4.720 4.640 0.001 0.000 0.220 983 D C 0.892 176.569 176.300 -1.038 0.000 1.103 983 D CA -0.151 53.465 54.000 -0.641 0.000 0.886 983 D CB 1.265 41.871 40.800 -0.323 0.000 1.025 983 D HN 0.779 nan 8.370 nan 0.000 0.514 984 Q N 4.691 123.819 119.800 -1.120 0.000 2.045 984 Q HA -0.252 4.088 4.340 0.001 0.000 0.206 984 Q C 1.670 177.297 176.000 -0.622 0.000 0.991 984 Q CA 2.316 57.602 55.803 -0.861 0.000 0.851 984 Q CB -0.014 28.514 28.738 -0.350 0.000 0.911 984 Q HN 0.543 nan 8.270 nan 0.000 0.418 985 K N -1.030 119.104 120.400 -0.444 0.000 2.211 985 K HA -0.089 4.232 4.320 0.001 0.000 0.203 985 K C 0.983 177.355 176.600 -0.380 0.000 1.050 985 K CA 1.693 57.767 56.287 -0.356 0.000 0.945 985 K CB -0.205 32.179 32.500 -0.193 0.000 0.732 985 K HN 0.261 nan 8.250 nan 0.000 0.451 986 N N 0.378 118.876 118.700 -0.337 0.000 2.230 986 N HA 0.047 4.788 4.740 0.001 0.000 0.202 986 N C -0.939 174.536 175.510 -0.059 0.000 1.119 986 N CA -0.238 52.722 53.050 -0.150 0.000 0.851 986 N CB 0.250 38.669 38.487 -0.114 0.000 0.990 986 N HN 0.209 nan 8.380 nan 0.000 0.497 987 H N 0.444 119.456 119.070 -0.096 0.000 2.506 987 H HA -0.181 4.376 4.556 0.001 0.000 0.323 987 H C -0.402 174.941 175.328 0.024 0.000 1.076 987 H CA 0.977 57.029 56.048 0.006 0.000 1.108 987 H CB -1.726 28.063 29.762 0.045 0.000 1.569 987 H HN 0.476 nan 8.280 nan 0.000 0.399 988 M N -2.360 117.252 119.600 0.020 0.000 2.465 988 M HA 0.689 5.170 4.480 0.001 0.000 0.284 988 M C -1.597 174.749 176.300 0.077 0.000 1.212 988 M CA -1.110 54.214 55.300 0.040 0.000 0.910 988 M CB 3.247 35.841 32.600 -0.010 0.000 1.725 988 M HN -0.032 nan 8.290 nan 0.000 0.477 989 V N 1.285 121.260 119.914 0.101 0.000 2.656 989 V HA 0.710 4.831 4.120 0.001 0.000 0.307 989 V C -0.996 175.133 176.094 0.059 0.000 1.051 989 V CA -0.016 62.362 62.300 0.130 0.000 0.893 989 V CB 2.543 34.459 31.823 0.156 0.000 0.999 989 V HN 1.029 nan 8.190 nan 0.000 0.426 990 T N 8.011 122.598 114.554 0.055 0.000 2.756 990 T HA 0.602 4.952 4.350 0.001 0.000 0.290 990 T C -0.360 174.374 174.700 0.057 0.000 0.985 990 T CA 0.065 62.191 62.100 0.043 0.000 0.955 990 T CB 0.538 69.421 68.868 0.024 0.000 0.930 990 T HN 0.485 nan 8.240 nan 0.000 0.451 991 I N 3.076 123.690 120.570 0.073 0.000 2.354 991 I HA 0.346 4.516 4.170 0.001 0.000 0.292 991 I C 0.354 176.524 176.117 0.087 0.000 0.989 991 I CA -0.471 60.881 61.300 0.086 0.000 1.188 991 I CB 1.642 39.728 38.000 0.144 0.000 1.342 991 I HN 0.459 nan 8.210 nan 0.000 0.457 992 T N 7.087 121.677 114.554 0.060 0.000 2.786 992 T HA 0.628 4.978 4.350 0.001 0.000 0.283 992 T C -0.201 174.528 174.700 0.049 0.000 0.992 992 T CA -0.326 61.809 62.100 0.058 0.000 0.954 992 T CB 0.901 69.791 68.868 0.037 0.000 0.934 992 T HN 0.250 nan 8.240 nan 0.000 0.440 993 I N 3.505 124.119 120.570 0.073 0.000 2.404 993 I HA 0.409 4.580 4.170 0.001 0.000 0.293 993 I C 0.245 176.397 176.117 0.058 0.000 0.992 993 I CA -0.678 60.661 61.300 0.066 0.000 1.149 993 I CB 1.555 39.621 38.000 0.110 0.000 1.315 993 I HN 0.521 nan 8.210 nan 0.000 0.446 994 N N 5.196 123.928 118.700 0.053 0.000 2.524 994 N HA 0.488 5.229 4.740 0.001 0.000 0.261 994 N C -1.287 174.266 175.510 0.071 0.000 0.998 994 N CA -0.081 52.999 53.050 0.050 0.000 0.915 994 N CB 1.113 39.620 38.487 0.033 0.000 1.187 994 N HN 0.787 nan 8.380 nan 0.000 0.507 995 S N 2.276 118.019 115.700 0.072 0.000 2.615 995 S HA 0.420 4.891 4.470 0.001 0.000 0.269 995 S C -1.252 173.402 174.600 0.089 0.000 1.161 995 S CA -0.983 57.277 58.200 0.100 0.000 0.817 995 S CB 1.876 65.145 63.200 0.115 0.000 1.131 995 S HN 0.627 nan 8.310 nan 0.000 0.467 996 N N -0.319 118.455 118.700 0.124 0.000 2.664 996 N HA 0.571 5.311 4.740 0.001 0.000 0.268 996 N C -0.423 175.268 175.510 0.301 0.000 1.222 996 N CA 0.271 53.421 53.050 0.167 0.000 0.805 996 N CB 0.858 39.430 38.487 0.143 0.000 1.399 996 N HN 1.303 nan 8.380 nan 0.000 0.547 997 G N 1.345 110.317 108.800 0.286 0.000 2.351 997 G HA2 -0.008 3.953 3.960 0.001 0.000 0.279 997 G HA3 -0.008 3.953 3.960 0.001 0.000 0.279 997 G C -1.917 173.002 174.900 0.031 0.000 1.297 997 G CA -0.946 44.296 45.100 0.236 0.000 0.886 997 G HN 0.446 nan 8.290 nan 0.000 0.493 998 N N -0.476 118.171 118.700 -0.089 0.000 2.509 998 N HA 0.626 5.367 4.740 0.001 0.000 0.287 998 N C -1.407 174.019 175.510 -0.139 0.000 1.121 998 N CA -0.254 52.716 53.050 -0.134 0.000 0.977 998 N CB 1.603 40.002 38.487 -0.147 0.000 1.167 998 N HN 0.586 nan 8.380 nan 0.000 0.476 999 L N 1.649 122.768 121.223 -0.172 0.000 2.472 999 L HA 0.426 4.767 4.340 0.001 0.000 0.260 999 L C -1.579 175.195 176.870 -0.161 0.000 0.963 999 L CA -0.401 54.317 54.840 -0.203 0.000 0.829 999 L CB 1.916 43.877 42.059 -0.163 0.000 1.348 999 L HN 0.725 nan 8.230 nan 0.000 0.408 1000 E N 3.159 123.288 120.200 -0.118 0.000 2.390 1000 E HA 0.786 5.137 4.350 0.001 0.000 0.277 1000 E C -1.564 175.075 176.600 0.066 0.000 0.939 1000 E CA -0.749 55.583 56.400 -0.114 0.000 0.769 1000 E CB 2.405 32.035 29.700 -0.116 0.000 1.251 1000 E HN 0.446 nan 8.360 nan 0.000 0.450 1001 F N -1.709 118.184 119.950 -0.096 0.000 2.842 1001 F HA 0.540 5.068 4.527 0.001 0.000 0.319 1001 F C -1.592 174.202 175.800 -0.009 0.000 1.159 1001 F CA -1.122 56.842 58.000 -0.059 0.000 0.902 1001 F CB 1.202 40.157 39.000 -0.074 0.000 1.311 1001 F HN 0.378 nan 8.300 nan 0.000 0.453 1002 E N 1.599 121.923 120.200 0.206 0.000 2.212 1002 E HA 0.636 4.987 4.350 0.001 0.000 0.268 1002 E C -1.495 175.280 176.600 0.291 0.000 0.902 1002 E CA -1.005 55.492 56.400 0.162 0.000 0.779 1002 E CB 2.849 32.648 29.700 0.165 0.000 1.172 1002 E HN 0.548 nan 8.360 nan 0.000 0.409 1003 L N 2.922 124.343 121.223 0.331 0.000 2.295 1003 L HA 0.373 4.714 4.340 0.001 0.000 0.285 1003 L C -0.214 176.901 176.870 0.408 0.000 1.035 1003 L CA -0.442 54.636 54.840 0.397 0.000 0.806 1003 L CB 0.771 43.146 42.059 0.525 0.000 1.214 1003 L HN 0.446 nan 8.230 nan 0.000 0.426 1004 H N 4.151 123.364 119.070 0.237 0.000 2.459 1004 H HA 0.630 5.187 4.556 0.001 0.000 0.332 1004 H C -0.829 174.577 175.328 0.130 0.000 1.094 1004 H CA -0.618 55.449 56.048 0.031 0.000 1.224 1004 H CB 1.367 31.143 29.762 0.024 0.000 1.449 1004 H HN 0.519 nan 8.280 nan 0.000 0.484 1005 F N 0.000 120.018 119.950 0.114 0.000 2.286 1005 F HA 0.000 4.528 4.527 0.001 0.000 0.279 1005 F CA 0.000 58.025 58.000 0.042 0.000 1.383 1005 F CB 0.000 39.019 39.000 0.031 0.000 1.145 1005 F HN 0.000 nan 8.300 nan 0.000 0.574