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 3fg1_1_A DATA FIRST_RESID 372 DATA SEQUENCE HHAIYNVEVE TGDREHAGTD ATITIRITGA KGRTDYLKLD KGSXXXFEAG DATA SEQUENCE SKEQYTVQGF DVGDIQLIEL HSDGGGYWSG DPDWFVNRVI IISSTQDRVY DATA SEQUENCE SFPCFRWVIK DMVLFPGEAT LPFNEVPAIV SEQRQKELEQ RKLTYQWDYV DATA SEQUENCE SDDMPGNIKA KTHDDLPRDV QFTDEKSRSY QESRKAALVN LGIGSLFTMF DATA SEQUENCE ENWDSYDDYH ILYRNWILGG TPNMADRWHE DRWFGYQFLN GANPVILTRC DATA SEQUENCE DALPSNFPVT NEHVNASLDR GKNLDEEIKD GHIYIVDFKV LVGAKSYGGP DATA SEQUENCE VLEDIGYKXX XXXXXXEADI RYCAAPLALF YVNKLGHLMP IAIQINQEPG DATA SEQUENCE PENPIWTPHE ENEHDWMMAK FWLGVAESNF HQLNTHLLRT HLTTESFALS DATA SEQUENCE TWRNLASAHP IFKLLQPHIY GVLAIDTIGR KELIGSGGIV DQSLSLGGGG DATA SEQUENCE HVTFMEKCFK EVNLQDYHLP NALKKRGVDD PSKLPGFYYR DDGLALWEAI DATA SEQUENCE ETFIGEIIAI FYKNDDDVKR DNEIQSWIYD VHKNGWRVNP GHQDHGVPAS DATA SEQUENCE FESREQLKEV LTSLVFTFSC QHAAVNFSQK DHYGFTPNAP AILRHPPPKK DATA SEQUENCE KGEATLQSIL STLPSKSQAA KAIATVYILT KFSEDERYLG NYSATAWEDK DATA SEQUENCE DALDAINRFQ DKLEDISKKI KQRNENLEVP YIYLLPERIP NGTAI 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 372 H HA 0.000 nan 4.556 nan 0.000 0.296 372 H C 0.000 175.263 175.328 -0.109 0.000 0.993 372 H CA 0.000 55.977 56.048 -0.119 0.000 1.023 372 H CB 0.000 29.687 29.762 -0.126 0.000 1.292 373 H N 0.901 119.938 119.070 -0.056 0.000 2.505 373 H HA 0.914 5.467 4.556 -0.005 0.000 0.358 373 H C 0.486 175.733 175.328 -0.136 0.000 1.304 373 H CA -0.174 55.839 56.048 -0.058 0.000 1.393 373 H CB 1.605 31.363 29.762 -0.007 0.000 1.591 373 H HN 0.941 nan 8.280 nan 0.000 0.595 374 A N 0.945 123.708 122.820 -0.095 0.000 2.384 374 A HA 0.582 4.899 4.320 -0.005 0.000 0.312 374 A C -0.820 176.594 177.584 -0.284 0.000 1.113 374 A CA -1.017 50.815 52.037 -0.341 0.000 0.779 374 A CB 0.876 19.501 19.000 -0.626 0.000 1.307 374 A HN 0.690 nan 8.150 nan 0.000 0.436 375 I N 1.103 121.492 120.570 -0.302 0.000 2.359 375 I HA 0.323 4.490 4.170 -0.005 0.000 0.294 375 I C -1.355 174.557 176.117 -0.343 0.000 0.987 375 I CA -0.282 60.910 61.300 -0.179 0.000 1.225 375 I CB 1.128 39.122 38.000 -0.011 0.000 1.366 375 I HN 0.599 nan 8.210 nan 0.000 0.466 376 Y N 4.709 125.064 120.300 0.091 0.000 2.328 376 Y HA 0.336 4.883 4.550 -0.006 0.000 0.337 376 Y C 0.197 176.160 175.900 0.106 0.000 0.966 376 Y CA -0.919 57.235 58.100 0.090 0.000 1.136 376 Y CB 0.923 39.425 38.460 0.070 0.000 1.170 376 Y HN 0.459 nan 8.280 nan 0.000 0.470 377 N N 3.154 121.993 118.700 0.232 0.000 2.422 377 N HA 0.320 5.057 4.740 -0.005 0.000 0.264 377 N C -1.163 174.485 175.510 0.230 0.000 1.063 377 N CA -0.169 53.000 53.050 0.198 0.000 0.959 377 N CB 2.007 40.581 38.487 0.144 0.000 1.087 377 N HN 0.280 nan 8.380 nan 0.000 0.483 378 V N 1.919 121.978 119.914 0.243 0.000 2.444 378 V HA 0.290 4.407 4.120 -0.005 0.000 0.294 378 V C 0.099 176.365 176.094 0.287 0.000 1.022 378 V CA -0.745 61.705 62.300 0.250 0.000 0.850 378 V CB 1.885 33.850 31.823 0.237 0.000 0.992 378 V HN 0.600 nan 8.190 nan 0.000 0.426 379 E N 3.914 124.258 120.200 0.239 0.000 2.187 379 E HA 0.678 5.025 4.350 -0.005 0.000 0.268 379 E C -1.776 174.965 176.600 0.234 0.000 0.896 379 E CA -0.514 56.028 56.400 0.237 0.000 0.766 379 E CB 2.200 32.001 29.700 0.167 0.000 1.142 379 E HN 0.466 nan 8.360 nan 0.000 0.408 380 V N 4.305 124.407 119.914 0.313 0.000 2.448 380 V HA 0.277 4.394 4.120 -0.005 0.000 0.295 380 V C -0.575 175.649 176.094 0.217 0.000 1.025 380 V CA -0.746 61.705 62.300 0.251 0.000 0.859 380 V CB 1.619 33.678 31.823 0.393 0.000 0.988 380 V HN 0.727 nan 8.190 nan 0.000 0.431 381 E N 2.675 122.908 120.200 0.055 0.000 2.081 381 E HA 0.386 4.733 4.350 -0.005 0.000 0.276 381 E C -0.536 176.026 176.600 -0.063 0.000 0.950 381 E CA -0.360 56.057 56.400 0.029 0.000 0.776 381 E CB 1.393 31.086 29.700 -0.012 0.000 1.094 381 E HN 0.638 nan 8.360 nan 0.000 0.402 382 T N 1.887 116.482 114.554 0.068 0.000 2.856 382 T HA 0.298 4.645 4.350 -0.005 0.000 0.292 382 T C 0.613 175.342 174.700 0.047 0.000 0.980 382 T CA -0.670 61.459 62.100 0.049 0.000 1.091 382 T CB 1.271 70.340 68.868 0.336 0.000 0.936 382 T HN 0.542 nan 8.240 nan 0.000 0.503 383 G N 1.539 110.369 108.800 0.050 0.000 2.554 383 G HA2 0.093 4.050 3.960 -0.005 0.000 0.238 383 G HA3 0.093 4.050 3.960 -0.005 0.000 0.238 383 G C 0.236 175.150 174.900 0.023 0.000 1.259 383 G CA -0.481 44.664 45.100 0.075 0.000 0.843 383 G HN 0.775 nan 8.290 nan 0.000 0.582 384 D N -0.932 119.466 120.400 -0.003 0.000 2.363 384 D HA 0.011 4.648 4.640 -0.005 0.000 0.220 384 D C 1.556 177.844 176.300 -0.020 0.000 0.994 384 D CA 0.210 54.214 54.000 0.007 0.000 0.890 384 D CB 0.201 41.008 40.800 0.011 0.000 0.906 384 D HN 0.547 nan 8.370 nan 0.000 0.530 385 R N 1.122 121.567 120.500 -0.091 0.000 2.694 385 R HA 0.180 4.517 4.340 -0.005 0.000 0.268 385 R C -0.153 176.168 176.300 0.035 0.000 1.061 385 R CA -0.322 55.738 56.100 -0.066 0.000 1.133 385 R CB 0.483 30.686 30.300 -0.161 0.000 1.020 385 R HN 0.003 nan 8.270 nan 0.000 0.475 386 E N 1.650 121.878 120.200 0.047 0.000 2.568 386 E HA -0.147 4.200 4.350 -0.005 0.000 0.262 386 E C -0.332 176.377 176.600 0.182 0.000 0.961 386 E CA 0.632 57.040 56.400 0.014 0.000 0.945 386 E CB 0.069 29.731 29.700 -0.062 0.000 0.924 386 E HN 0.651 nan 8.360 nan 0.000 0.467 387 H N 0.100 119.311 119.070 0.235 0.000 3.395 387 H HA -0.257 4.297 4.556 -0.004 0.000 0.222 387 H C 1.204 176.826 175.328 0.490 0.000 1.099 387 H CA 0.720 56.956 56.048 0.314 0.000 1.182 387 H CB -1.688 28.238 29.762 0.273 0.000 1.188 387 H HN 0.628 nan 8.280 nan 0.000 0.317 388 A N 0.674 123.773 122.820 0.464 0.000 1.978 388 A HA 0.065 4.382 4.320 -0.005 0.000 0.220 388 A C 2.043 179.898 177.584 0.452 0.000 1.170 388 A CA 1.528 53.755 52.037 0.317 0.000 0.636 388 A CB -0.521 18.548 19.000 0.114 0.000 0.810 388 A HN 0.553 nan 8.150 nan 0.000 0.448 389 G N -2.083 106.958 108.800 0.402 0.000 2.651 389 G HA2 0.446 4.403 3.960 -0.005 0.000 0.260 389 G HA3 0.446 4.403 3.960 -0.005 0.000 0.260 389 G C -0.256 174.825 174.900 0.301 0.000 1.216 389 G CA 0.645 45.967 45.100 0.371 0.000 0.913 389 G HN 0.439 nan 8.290 nan 0.000 0.535 390 T N -1.675 112.947 114.554 0.113 0.000 2.889 390 T HA 0.387 4.734 4.350 -0.005 0.000 0.315 390 T C -0.811 173.884 174.700 -0.009 0.000 1.291 390 T CA -0.148 61.951 62.100 -0.003 0.000 1.028 390 T CB 1.783 70.513 68.868 -0.232 0.000 1.235 390 T HN 0.582 nan 8.240 nan 0.000 0.491 391 D N 1.563 121.968 120.400 0.007 0.000 2.462 391 D HA 0.388 5.024 4.640 -0.005 0.000 0.221 391 D C 0.729 177.020 176.300 -0.016 0.000 1.173 391 D CA -0.275 53.729 54.000 0.008 0.000 0.831 391 D CB 0.028 40.853 40.800 0.041 0.000 1.001 391 D HN 0.632 nan 8.370 nan 0.000 0.499 392 A N 0.139 122.923 122.820 -0.061 0.000 2.406 392 A HA 0.447 4.764 4.320 -0.005 0.000 0.243 392 A C 0.533 178.068 177.584 -0.083 0.000 1.082 392 A CA -0.117 51.876 52.037 -0.073 0.000 0.786 392 A CB 0.057 18.995 19.000 -0.104 0.000 1.029 392 A HN 0.170 nan 8.150 nan 0.000 0.495 393 T N 2.686 117.206 114.554 -0.058 0.000 2.814 393 T HA 0.403 4.750 4.350 -0.005 0.000 0.297 393 T C -0.019 174.643 174.700 -0.063 0.000 0.956 393 T CA 0.253 62.329 62.100 -0.040 0.000 1.123 393 T CB -0.144 68.718 68.868 -0.010 0.000 0.902 393 T HN 0.334 nan 8.240 nan 0.000 0.528 394 I N 4.384 124.919 120.570 -0.059 0.000 2.404 394 I HA 0.423 4.590 4.170 -0.005 0.000 0.293 394 I C 0.845 176.970 176.117 0.015 0.000 0.992 394 I CA -0.704 60.556 61.300 -0.067 0.000 1.149 394 I CB 1.445 39.327 38.000 -0.197 0.000 1.315 394 I HN 0.693 nan 8.210 nan 0.000 0.446 395 T N 4.194 118.802 114.554 0.091 0.000 2.916 395 T HA 0.807 5.154 4.350 -0.005 0.000 0.292 395 T C -0.487 174.351 174.700 0.230 0.000 1.064 395 T CA -0.803 61.389 62.100 0.154 0.000 1.011 395 T CB 2.693 71.683 68.868 0.203 0.000 1.152 395 T HN 0.476 nan 8.240 nan 0.000 0.510 396 I N 0.355 121.029 120.570 0.174 0.000 2.569 396 I HA 0.609 4.776 4.170 -0.005 0.000 0.290 396 I C -0.823 175.214 176.117 -0.134 0.000 1.088 396 I CA -1.131 60.200 61.300 0.051 0.000 1.047 396 I CB 1.935 39.900 38.000 -0.059 0.000 1.237 396 I HN 0.746 nan 8.210 nan 0.000 0.421 397 R N 7.677 127.945 120.500 -0.387 0.000 2.393 397 R HA 0.668 5.005 4.340 -0.005 0.000 0.310 397 R C -1.542 174.519 176.300 -0.398 0.000 0.968 397 R CA -0.527 55.214 56.100 -0.598 0.000 0.867 397 R CB 1.278 30.898 30.300 -1.133 0.000 1.124 397 R HN 0.634 nan 8.270 nan 0.000 0.450 398 I N 3.366 123.717 120.570 -0.365 0.000 2.354 398 I HA 0.282 4.449 4.170 -0.005 0.000 0.292 398 I C -0.343 175.644 176.117 -0.216 0.000 0.989 398 I CA -0.601 60.493 61.300 -0.343 0.000 1.188 398 I CB 2.231 39.896 38.000 -0.558 0.000 1.342 398 I HN 0.570 nan 8.210 nan 0.000 0.457 399 T N 4.369 118.839 114.554 -0.140 0.000 2.823 399 T HA 0.712 5.059 4.350 -0.005 0.000 0.279 399 T C 0.172 174.861 174.700 -0.018 0.000 0.998 399 T CA -0.590 61.478 62.100 -0.054 0.000 0.994 399 T CB 1.923 70.771 68.868 -0.034 0.000 0.960 399 T HN 0.869 nan 8.240 nan 0.000 0.448 400 G N 0.228 109.044 108.800 0.028 0.000 2.975 400 G HA2 0.615 4.572 3.960 -0.005 0.000 0.291 400 G HA3 0.615 4.572 3.960 -0.005 0.000 0.291 400 G C 0.879 175.815 174.900 0.060 0.000 1.334 400 G CA -0.127 44.994 45.100 0.034 0.000 0.843 400 G HN 0.695 nan 8.290 nan 0.000 0.548 401 A N -0.527 122.327 122.820 0.057 0.000 1.978 401 A HA -0.002 4.314 4.320 -0.005 0.000 0.220 401 A C 1.982 179.616 177.584 0.083 0.000 1.170 401 A CA 2.029 54.100 52.037 0.057 0.000 0.636 401 A CB -0.322 18.707 19.000 0.048 0.000 0.810 401 A HN 0.494 nan 8.150 nan 0.000 0.448 402 K N -1.767 118.707 120.400 0.124 0.000 2.361 402 K HA 0.357 4.674 4.320 -0.005 0.000 0.194 402 K C 0.865 177.687 176.600 0.370 0.000 1.032 402 K CA 0.447 56.855 56.287 0.201 0.000 1.048 402 K CB 0.398 32.977 32.500 0.132 0.000 0.842 402 K HN 0.558 nan 8.250 nan 0.000 0.526 403 G N 1.549 110.540 108.800 0.318 0.000 2.334 403 G HA2 0.018 3.975 3.960 -0.005 0.000 0.249 403 G HA3 0.018 3.975 3.960 -0.005 0.000 0.249 403 G C -1.779 173.224 174.900 0.172 0.000 1.327 403 G CA -0.993 44.222 45.100 0.192 0.000 0.979 403 G HN 0.182 nan 8.290 nan 0.000 0.471 404 R N -1.068 119.454 120.500 0.036 0.000 2.707 404 R HA 0.754 5.091 4.340 -0.005 0.000 0.272 404 R C 0.134 176.443 176.300 0.015 0.000 1.011 404 R CA -0.047 56.072 56.100 0.033 0.000 0.893 404 R CB 1.348 31.608 30.300 -0.067 0.000 1.233 404 R HN 1.078 nan 8.270 nan 0.000 0.464 405 T N -1.266 113.296 114.554 0.013 0.000 2.754 405 T HA 0.102 4.449 4.350 -0.005 0.000 0.286 405 T C 0.231 174.870 174.700 -0.101 0.000 0.997 405 T CA -0.407 61.697 62.100 0.007 0.000 0.982 405 T CB 0.813 69.644 68.868 -0.062 0.000 1.027 405 T HN 0.592 nan 8.240 nan 0.000 0.529 406 D N -1.061 119.303 120.400 -0.060 0.000 2.414 406 D HA 0.146 4.783 4.640 -0.005 0.000 0.251 406 D C -0.611 175.611 176.300 -0.130 0.000 1.252 406 D CA -0.568 53.391 54.000 -0.069 0.000 0.999 406 D CB 0.088 40.896 40.800 0.013 0.000 1.093 406 D HN 0.587 nan 8.370 nan 0.000 0.515 407 Y N 0.082 120.354 120.300 -0.045 0.000 2.569 407 Y HA 0.159 4.706 4.550 -0.005 0.000 0.332 407 Y C 0.058 175.944 175.900 -0.024 0.000 1.120 407 Y CA 0.082 58.156 58.100 -0.045 0.000 1.416 407 Y CB 0.236 38.661 38.460 -0.058 0.000 1.210 407 Y HN 0.026 nan 8.280 nan 0.000 0.528 408 L N 4.936 126.210 121.223 0.086 0.000 2.309 408 L HA 0.417 4.754 4.340 -0.005 0.000 0.282 408 L C 0.055 176.964 176.870 0.065 0.000 1.036 408 L CA -1.283 53.595 54.840 0.063 0.000 0.806 408 L CB 0.959 43.038 42.059 0.034 0.000 1.220 408 L HN 0.372 nan 8.230 nan 0.000 0.429 409 K N 3.553 123.986 120.400 0.055 0.000 2.368 409 K HA 0.346 4.663 4.320 -0.005 0.000 0.282 409 K C -0.541 176.046 176.600 -0.022 0.000 1.035 409 K CA -0.020 56.283 56.287 0.028 0.000 0.973 409 K CB 0.876 33.396 32.500 0.033 0.000 0.957 409 K HN 0.516 nan 8.250 nan 0.000 0.474 410 L N 5.111 126.259 121.223 -0.124 0.000 2.426 410 L HA 0.175 4.512 4.340 -0.005 0.000 0.255 410 L C 1.011 177.712 176.870 -0.282 0.000 1.080 410 L CA -0.311 54.257 54.840 -0.454 0.000 0.960 410 L CB 0.539 42.202 42.059 -0.659 0.000 1.326 410 L HN 0.647 nan 8.230 nan 0.000 0.441 411 D N -0.710 119.671 120.400 -0.031 0.000 2.470 411 D HA -0.042 4.595 4.640 -0.005 0.000 0.238 411 D C 0.368 176.700 176.300 0.053 0.000 1.054 411 D CA -0.025 53.983 54.000 0.013 0.000 0.896 411 D CB 0.336 41.151 40.800 0.026 0.000 1.118 411 D HN 0.106 nan 8.370 nan 0.000 0.497 412 K N 1.138 121.633 120.400 0.160 0.000 2.349 412 K HA 0.596 4.913 4.320 -0.005 0.000 0.288 412 K C 0.846 177.447 176.600 0.001 0.000 1.058 412 K CA -0.192 56.136 56.287 0.068 0.000 0.953 412 K CB 0.223 32.751 32.500 0.047 0.000 0.997 412 K HN 0.636 nan 8.250 nan 0.000 0.477 413 G N 0.536 109.296 108.800 -0.066 0.000 2.710 413 G HA2 -0.146 3.811 3.960 -0.005 0.000 0.668 413 G HA3 -0.146 3.811 3.960 -0.005 0.000 0.668 413 G C -0.114 174.672 174.900 -0.192 0.000 1.320 413 G CA -0.287 44.740 45.100 -0.121 0.000 0.860 413 G HN 0.969 nan 8.290 nan 0.000 0.538 419 E N 1.267 121.619 120.200 0.253 0.000 2.345 419 E HA 0.554 4.901 4.350 -0.005 0.000 0.259 419 E C 0.195 176.935 176.600 0.233 0.000 1.117 419 E CA -0.446 56.077 56.400 0.204 0.000 0.913 419 E CB 1.301 31.079 29.700 0.130 0.000 1.057 419 E HN 0.476 nan 8.360 nan 0.000 0.432 420 A N 0.342 123.276 122.820 0.190 0.000 2.546 420 A HA 0.361 4.678 4.320 -0.005 0.000 0.243 420 A C 1.246 178.906 177.584 0.125 0.000 1.063 420 A CA 0.861 52.993 52.037 0.159 0.000 0.757 420 A CB -0.560 18.511 19.000 0.118 0.000 0.991 420 A HN 0.785 nan 8.150 nan 0.000 0.503 421 G N 1.471 110.340 108.800 0.115 0.000 2.184 421 G HA2 -0.198 3.759 3.960 -0.005 0.000 0.264 421 G HA3 -0.198 3.759 3.960 -0.005 0.000 0.264 421 G C 0.585 175.552 174.900 0.110 0.000 0.975 421 G CA 0.987 46.142 45.100 0.093 0.000 0.642 421 G HN 2.206 nan 8.290 nan 0.000 0.536 422 S N -0.719 115.074 115.700 0.155 0.000 2.601 422 S HA 0.661 5.128 4.470 -0.005 0.000 0.271 422 S C -0.201 174.505 174.600 0.176 0.000 1.305 422 S CA 0.138 58.437 58.200 0.164 0.000 1.022 422 S CB 2.047 65.369 63.200 0.202 0.000 0.940 422 S HN 0.649 nan 8.310 nan 0.000 0.525 423 K N 2.081 122.566 120.400 0.142 0.000 2.507 423 K HA 0.476 4.792 4.320 -0.005 0.000 0.253 423 K C -1.164 175.518 176.600 0.137 0.000 0.969 423 K CA -0.758 55.616 56.287 0.145 0.000 0.908 423 K CB 1.115 33.675 32.500 0.100 0.000 1.127 423 K HN 0.767 nan 8.250 nan 0.000 0.437 424 E N 1.961 122.291 120.200 0.216 0.000 2.199 424 E HA 0.336 4.683 4.350 -0.005 0.000 0.269 424 E C -0.590 176.046 176.600 0.060 0.000 0.899 424 E CA -0.702 55.771 56.400 0.122 0.000 0.772 424 E CB 2.095 31.942 29.700 0.246 0.000 1.155 424 E HN 0.504 nan 8.360 nan 0.000 0.408 425 Q N 1.632 121.290 119.800 -0.236 0.000 2.309 425 Q HA 0.566 4.903 4.340 -0.005 0.000 0.264 425 Q C -1.070 174.562 176.000 -0.613 0.000 1.008 425 Q CA -0.672 55.009 55.803 -0.204 0.000 0.853 425 Q CB 1.811 30.496 28.738 -0.089 0.000 1.314 425 Q HN 0.419 nan 8.270 nan 0.000 0.448 426 Y N -0.441 119.915 120.300 0.094 0.000 2.524 426 Y HA 0.485 5.032 4.550 -0.005 0.000 0.347 426 Y C -0.410 175.547 175.900 0.094 0.000 1.005 426 Y CA -0.890 57.261 58.100 0.085 0.000 1.025 426 Y CB 2.659 41.184 38.460 0.109 0.000 1.275 426 Y HN 0.411 nan 8.280 nan 0.000 0.460 427 T N 3.083 117.766 114.554 0.214 0.000 2.864 427 T HA 0.573 4.920 4.350 -0.005 0.000 0.299 427 T C -0.915 173.890 174.700 0.176 0.000 1.011 427 T CA -0.692 61.509 62.100 0.169 0.000 0.975 427 T CB 0.323 69.253 68.868 0.103 0.000 0.962 427 T HN 0.536 nan 8.240 nan 0.000 0.448 428 V N 1.655 121.694 119.914 0.208 0.000 2.864 428 V HA 0.817 4.934 4.120 -0.005 0.000 0.314 428 V C -0.742 175.497 176.094 0.241 0.000 1.073 428 V CA -1.128 61.290 62.300 0.198 0.000 0.956 428 V CB 2.072 34.004 31.823 0.182 0.000 1.023 428 V HN 0.849 nan 8.190 nan 0.000 0.435 429 Q N 1.232 121.148 119.800 0.193 0.000 2.394 429 Q HA 0.833 5.170 4.340 -0.005 0.000 0.273 429 Q C -0.463 175.676 176.000 0.233 0.000 1.089 429 Q CA -0.016 55.900 55.803 0.188 0.000 0.812 429 Q CB 2.300 31.064 28.738 0.043 0.000 1.353 429 Q HN 1.466 nan 8.270 nan 0.000 0.438 430 G N 1.452 110.441 108.800 0.315 0.000 2.489 430 G HA2 0.243 4.200 3.960 -0.005 0.000 0.305 430 G HA3 0.243 4.200 3.960 -0.005 0.000 0.305 430 G C -1.786 173.330 174.900 0.361 0.000 1.311 430 G CA -0.984 44.304 45.100 0.314 0.000 0.813 430 G HN 0.679 nan 8.290 nan 0.000 0.480 431 F N 1.184 121.242 119.950 0.179 0.000 2.635 431 F HA 0.256 4.780 4.527 -0.005 0.000 0.379 431 F C 0.579 176.501 175.800 0.204 0.000 1.094 431 F CA 0.155 58.243 58.000 0.146 0.000 1.300 431 F CB 0.765 39.815 39.000 0.084 0.000 1.035 431 F HN 0.351 nan 8.300 nan 0.000 0.581 432 D N 5.740 125.775 120.400 -0.608 0.000 2.344 432 D HA 0.058 4.695 4.640 -0.005 0.000 0.253 432 D C 0.917 176.837 176.300 -0.634 0.000 1.255 432 D CA -0.050 53.669 54.000 -0.468 0.000 0.894 432 D CB 0.838 41.386 40.800 -0.419 0.000 1.067 432 D HN 0.418 nan 8.370 nan 0.000 0.492 433 V N 2.336 122.194 119.914 -0.095 0.000 3.573 433 V HA 0.339 4.456 4.120 -0.005 0.000 0.270 433 V C 1.330 177.438 176.094 0.023 0.000 1.221 433 V CA 0.709 63.039 62.300 0.049 0.000 1.163 433 V CB -1.089 30.822 31.823 0.146 0.000 0.847 433 V HN 0.737 nan 8.190 nan 0.000 0.468 434 G N 1.098 109.884 108.800 -0.023 0.000 2.528 434 G HA2 -0.361 3.596 3.960 -0.005 0.000 0.262 434 G HA3 -0.361 3.596 3.960 -0.005 0.000 0.262 434 G C -0.289 174.651 174.900 0.066 0.000 1.200 434 G CA 0.422 45.529 45.100 0.012 0.000 0.951 434 G HN 0.842 nan 8.290 nan 0.000 0.566 435 D N 1.102 121.553 120.400 0.085 0.000 2.382 435 D HA 0.356 4.993 4.640 -0.005 0.000 0.259 435 D C 1.194 177.519 176.300 0.043 0.000 1.224 435 D CA -0.074 54.013 54.000 0.146 0.000 0.894 435 D CB -0.113 40.773 40.800 0.143 0.000 1.127 435 D HN 0.525 nan 8.370 nan 0.000 0.487 436 I N 3.757 124.225 120.570 -0.171 0.000 2.618 436 I HA -0.059 4.108 4.170 -0.005 0.000 0.284 436 I C 1.434 177.483 176.117 -0.113 0.000 1.146 436 I CA 0.375 61.484 61.300 -0.318 0.000 1.425 436 I CB 0.749 38.289 38.000 -0.766 0.000 1.383 436 I HN 0.516 nan 8.210 nan 0.000 0.562 437 Q N 5.614 125.417 119.800 0.004 0.000 2.369 437 Q HA 0.294 4.631 4.340 -0.005 0.000 0.254 437 Q C -0.736 175.370 176.000 0.175 0.000 0.858 437 Q CA 0.140 55.985 55.803 0.069 0.000 0.961 437 Q CB 0.973 29.730 28.738 0.032 0.000 1.119 437 Q HN 0.655 nan 8.270 nan 0.000 0.538 438 L N -1.946 119.398 121.223 0.202 0.000 2.775 438 L HA 0.620 4.957 4.340 -0.005 0.000 0.263 438 L C -1.264 175.654 176.870 0.080 0.000 1.017 438 L CA -1.290 53.737 54.840 0.310 0.000 0.891 438 L CB 1.137 43.417 42.059 0.367 0.000 1.482 438 L HN 0.038 nan 8.230 nan 0.000 0.410 439 I N -2.291 118.245 120.570 -0.057 0.000 3.042 439 I HA 0.844 5.011 4.170 -0.005 0.000 0.310 439 I C -1.214 174.787 176.117 -0.195 0.000 1.117 439 I CA -0.594 60.541 61.300 -0.274 0.000 1.003 439 I CB 2.582 40.211 38.000 -0.619 0.000 1.228 439 I HN 0.780 nan 8.210 nan 0.000 0.443 440 E N 3.704 123.795 120.200 -0.181 0.000 2.260 440 E HA 0.532 4.879 4.350 -0.005 0.000 0.266 440 E C -1.497 175.126 176.600 0.037 0.000 0.887 440 E CA -0.608 55.757 56.400 -0.058 0.000 0.777 440 E CB 2.832 32.529 29.700 -0.005 0.000 1.205 440 E HN 0.472 nan 8.360 nan 0.000 0.414 441 L N 2.742 123.991 121.223 0.043 0.000 2.312 441 L HA 0.464 4.801 4.340 -0.005 0.000 0.281 441 L C -0.298 176.701 176.870 0.215 0.000 1.070 441 L CA -0.646 54.263 54.840 0.115 0.000 0.805 441 L CB 0.757 42.830 42.059 0.023 0.000 1.174 441 L HN 0.556 nan 8.230 nan 0.000 0.434 442 H N 1.488 120.631 119.070 0.122 0.000 2.600 442 H HA 0.461 5.013 4.556 -0.005 0.000 0.357 442 H C -1.012 174.306 175.328 -0.016 0.000 1.106 442 H CA -0.348 55.689 56.048 -0.017 0.000 1.193 442 H CB 2.018 31.596 29.762 -0.305 0.000 1.594 442 H HN 0.498 nan 8.280 nan 0.000 0.526 443 S N 2.261 117.597 115.700 -0.607 0.000 2.482 443 S HA 0.130 4.597 4.470 -0.005 0.000 0.303 443 S C 0.330 174.564 174.600 -0.610 0.000 1.091 443 S CA -0.563 57.384 58.200 -0.422 0.000 1.057 443 S CB 0.798 63.891 63.200 -0.178 0.000 1.031 443 S HN 0.850 nan 8.310 nan 0.000 0.485 444 D N 3.057 123.290 120.400 -0.278 0.000 2.363 444 D HA 0.120 4.757 4.640 -0.005 0.000 0.226 444 D C 1.283 177.518 176.300 -0.107 0.000 1.020 444 D CA 0.783 54.703 54.000 -0.133 0.000 0.892 444 D CB -0.647 40.143 40.800 -0.018 0.000 0.900 444 D HN 1.064 nan 8.370 nan 0.000 0.531 445 G N -0.523 108.200 108.800 -0.127 0.000 2.153 445 G HA2 0.010 3.967 3.960 -0.005 0.000 0.252 445 G HA3 0.010 3.967 3.960 -0.005 0.000 0.252 445 G C 0.836 175.705 174.900 -0.053 0.000 0.994 445 G CA 0.435 45.486 45.100 -0.081 0.000 0.698 445 G HN 1.364 nan 8.290 nan 0.000 0.521 446 G N -1.978 106.796 108.800 -0.044 0.000 2.796 446 G HA2 0.483 4.440 3.960 -0.005 0.000 0.571 446 G HA3 0.483 4.440 3.960 -0.005 0.000 0.571 446 G C 0.740 175.636 174.900 -0.007 0.000 1.370 446 G CA 0.547 45.636 45.100 -0.018 0.000 0.856 446 G HN 2.098 nan 8.290 nan 0.000 0.538 447 G N -2.288 106.525 108.800 0.022 0.000 3.107 447 G HA2 0.632 4.589 3.960 -0.005 0.000 0.232 447 G HA3 0.632 4.589 3.960 -0.005 0.000 0.232 447 G C 0.708 175.612 174.900 0.007 0.000 1.339 447 G CA 0.515 45.635 45.100 0.034 0.000 1.033 447 G HN 1.318 nan 8.290 nan 0.000 0.567 448 Y N -0.677 119.525 120.300 -0.163 0.000 2.151 448 Y HA -0.194 4.353 4.550 -0.005 0.000 0.284 448 Y C 2.112 177.787 175.900 -0.375 0.000 1.166 448 Y CA 2.069 59.946 58.100 -0.371 0.000 1.163 448 Y CB -0.008 38.066 38.460 -0.643 0.000 0.974 448 Y HN 0.480 nan 8.280 nan 0.000 0.511 449 W N 0.047 121.414 121.300 0.111 0.000 3.290 449 W HA 0.217 4.874 4.660 -0.005 0.000 0.287 449 W C 0.644 177.153 176.519 -0.016 0.000 1.288 449 W CA -0.001 57.372 57.345 0.046 0.000 1.725 449 W CB -0.067 29.465 29.460 0.121 0.000 1.103 449 W HN -0.267 nan 8.180 nan 0.000 0.670 450 S N 1.030 116.808 115.700 0.130 0.000 2.465 450 S HA 0.170 4.637 4.470 -0.005 0.000 0.280 450 S C 1.362 175.979 174.600 0.028 0.000 1.232 450 S CA 0.242 58.488 58.200 0.077 0.000 1.066 450 S CB 1.100 64.320 63.200 0.033 0.000 0.929 450 S HN 0.385 nan 8.310 nan 0.000 0.494 451 G N 2.086 110.915 108.800 0.048 0.000 2.404 451 G HA2 -0.043 3.914 3.960 -0.005 0.000 0.214 451 G HA3 -0.043 3.914 3.960 -0.005 0.000 0.214 451 G C 0.127 174.998 174.900 -0.048 0.000 1.189 451 G CA 0.401 45.507 45.100 0.011 0.000 0.789 451 G HN 0.672 nan 8.290 nan 0.000 0.533 452 D N -0.837 119.544 120.400 -0.030 0.000 2.429 452 D HA 0.310 4.947 4.640 -0.005 0.000 0.255 452 D C -1.459 174.859 176.300 0.029 0.000 1.257 452 D CA -1.317 52.640 54.000 -0.072 0.000 0.890 452 D CB 1.549 42.205 40.800 -0.240 0.000 1.267 452 D HN -0.011 nan 8.370 nan 0.000 0.521 453 P HA -0.067 nan 4.420 nan 0.000 0.222 453 P C -0.249 177.124 177.300 0.122 0.000 1.147 453 P CA 0.485 63.610 63.100 0.042 0.000 0.790 453 P CB 0.191 31.888 31.700 -0.004 0.000 0.780 454 D N 0.031 120.518 120.400 0.145 0.000 2.472 454 D HA 0.019 4.656 4.640 -0.005 0.000 0.237 454 D C -0.389 176.278 176.300 0.612 0.000 1.141 454 D CA 0.540 54.721 54.000 0.302 0.000 0.875 454 D CB 0.091 40.985 40.800 0.158 0.000 1.192 454 D HN 0.112 nan 8.370 nan 0.000 0.450 455 W N 4.386 125.923 121.300 0.395 0.000 2.647 455 W HA 0.379 5.035 4.660 -0.006 0.000 0.328 455 W C -1.865 174.658 176.519 0.007 0.000 1.018 455 W CA -1.589 55.868 57.345 0.188 0.000 1.245 455 W CB 0.440 29.885 29.460 -0.025 0.000 1.356 455 W HN 0.194 nan 8.180 nan 0.000 0.443 456 F N 7.107 126.805 119.950 -0.419 0.000 2.390 456 F HA 0.553 5.077 4.527 -0.005 0.000 0.361 456 F C -0.658 174.636 175.800 -0.842 0.000 1.124 456 F CA -0.487 56.905 58.000 -1.013 0.000 1.149 456 F CB 0.667 38.718 39.000 -1.581 0.000 1.160 456 F HN -0.030 nan 8.300 nan 0.000 0.501 457 V N 7.706 126.860 119.914 -1.266 0.000 2.398 457 V HA 0.174 4.291 4.120 -0.005 0.000 0.286 457 V C 0.617 176.101 176.094 -1.018 0.000 1.026 457 V CA -0.431 61.195 62.300 -1.123 0.000 0.868 457 V CB 1.379 32.435 31.823 -1.277 0.000 0.982 457 V HN 0.872 nan 8.190 nan 0.000 0.443 458 N N 3.272 121.497 118.700 -0.792 0.000 2.132 458 N HA 0.066 4.802 4.740 -0.005 0.000 0.187 458 N C 0.819 175.693 175.510 -1.060 0.000 1.038 458 N CA 0.631 52.950 53.050 -1.219 0.000 0.846 458 N CB 0.298 38.333 38.487 -0.754 0.000 1.012 458 N HN 0.559 nan 8.380 nan 0.000 0.429 459 R N 0.146 120.322 120.500 -0.539 0.000 2.664 459 R HA 0.374 4.711 4.340 -0.005 0.000 0.266 459 R C -2.187 174.034 176.300 -0.132 0.000 1.046 459 R CA -0.413 55.534 56.100 -0.255 0.000 0.885 459 R CB 1.526 31.769 30.300 -0.095 0.000 1.254 459 R HN -0.199 nan 8.270 nan 0.000 0.465 460 V N 4.595 124.504 119.914 -0.007 0.000 2.604 460 V HA 0.568 4.684 4.120 -0.005 0.000 0.305 460 V C -0.266 175.986 176.094 0.262 0.000 1.043 460 V CA -0.666 61.668 62.300 0.057 0.000 0.888 460 V CB 1.826 33.592 31.823 -0.094 0.000 0.995 460 V HN 0.588 nan 8.190 nan 0.000 0.429 461 I N 5.228 125.941 120.570 0.238 0.000 2.465 461 I HA 0.567 4.734 4.170 -0.005 0.000 0.291 461 I C -0.775 175.527 176.117 0.309 0.000 1.014 461 I CA -0.374 61.105 61.300 0.299 0.000 1.093 461 I CB 1.940 40.058 38.000 0.197 0.000 1.267 461 I HN 0.405 nan 8.210 nan 0.000 0.431 462 I N 6.643 127.467 120.570 0.423 0.000 2.545 462 I HA 0.501 4.668 4.170 -0.005 0.000 0.292 462 I C -0.776 175.595 176.117 0.422 0.000 1.040 462 I CA -0.634 60.899 61.300 0.387 0.000 1.068 462 I CB 2.557 40.782 38.000 0.373 0.000 1.251 462 I HN 0.371 nan 8.210 nan 0.000 0.424 463 I N 3.997 124.765 120.570 0.331 0.000 2.436 463 I HA 0.256 4.423 4.170 -0.005 0.000 0.289 463 I C -0.073 176.208 176.117 0.273 0.000 1.010 463 I CA -0.385 61.089 61.300 0.289 0.000 1.098 463 I CB 2.114 40.217 38.000 0.172 0.000 1.266 463 I HN 0.494 nan 8.210 nan 0.000 0.434 464 S N 3.168 119.039 115.700 0.284 0.000 2.508 464 S HA 0.184 4.651 4.470 -0.005 0.000 0.284 464 S C 1.240 175.840 174.600 0.000 0.000 1.192 464 S CA -0.321 57.941 58.200 0.103 0.000 1.070 464 S CB 1.395 64.698 63.200 0.172 0.000 1.004 464 S HN 0.746 nan 8.310 nan 0.000 0.493 465 S N 2.756 118.379 115.700 -0.128 0.000 2.465 465 S HA -0.123 4.344 4.470 -0.005 0.000 0.241 465 S C 1.470 176.016 174.600 -0.089 0.000 1.000 465 S CA 1.504 59.645 58.200 -0.100 0.000 0.964 465 S CB -0.995 62.124 63.200 -0.135 0.000 0.763 465 S HN 0.965 nan 8.310 nan 0.000 0.512 466 T N -2.560 111.938 114.554 -0.093 0.000 3.069 466 T HA 0.281 4.627 4.350 -0.005 0.000 0.252 466 T C 0.270 174.967 174.700 -0.004 0.000 1.053 466 T CA -0.429 61.629 62.100 -0.069 0.000 0.964 466 T CB 0.053 68.857 68.868 -0.107 0.000 1.005 466 T HN 0.223 nan 8.240 nan 0.000 0.532 467 Q N 1.616 121.445 119.800 0.049 0.000 2.337 467 Q HA 0.377 4.714 4.340 -0.005 0.000 0.270 467 Q C -1.658 174.376 176.000 0.057 0.000 1.043 467 Q CA -0.423 55.438 55.803 0.096 0.000 0.794 467 Q CB 2.079 30.971 28.738 0.256 0.000 1.281 467 Q HN 0.203 nan 8.270 nan 0.000 0.446 468 D N 2.493 122.901 120.400 0.013 0.000 2.639 468 D HA 0.207 4.844 4.640 -0.005 0.000 0.233 468 D C -0.662 175.601 176.300 -0.062 0.000 1.161 468 D CA 0.067 54.057 54.000 -0.016 0.000 1.003 468 D CB 0.141 40.931 40.800 -0.018 0.000 1.034 468 D HN 0.233 nan 8.370 nan 0.000 0.514 469 R N 0.879 121.321 120.500 -0.096 0.000 2.664 469 R HA 0.374 4.711 4.340 -0.005 0.000 0.266 469 R C -1.602 174.555 176.300 -0.239 0.000 1.046 469 R CA -0.878 55.067 56.100 -0.259 0.000 0.885 469 R CB 1.864 31.840 30.300 -0.541 0.000 1.254 469 R HN -0.036 nan 8.270 nan 0.000 0.465 470 V N 2.996 122.763 119.914 -0.246 0.000 2.417 470 V HA 0.419 4.536 4.120 -0.005 0.000 0.291 470 V C -1.067 174.902 176.094 -0.209 0.000 1.024 470 V CA -0.663 61.573 62.300 -0.107 0.000 0.861 470 V CB 1.248 33.057 31.823 -0.022 0.000 0.985 470 V HN 0.544 nan 8.190 nan 0.000 0.436 471 Y N 2.443 122.771 120.300 0.047 0.000 2.328 471 Y HA 0.552 5.099 4.550 -0.005 0.000 0.337 471 Y C 0.616 176.452 175.900 -0.107 0.000 1.008 471 Y CA -0.125 57.924 58.100 -0.086 0.000 1.129 471 Y CB 1.962 40.420 38.460 -0.004 0.000 1.185 471 Y HN 0.555 nan 8.280 nan 0.000 0.476 472 S N 4.131 119.733 115.700 -0.163 0.000 2.519 472 S HA 0.657 5.123 4.470 -0.005 0.000 0.309 472 S C -1.468 173.007 174.600 -0.209 0.000 1.100 472 S CA -0.571 57.605 58.200 -0.039 0.000 1.059 472 S CB 0.061 63.272 63.200 0.018 0.000 1.008 472 S HN 0.431 nan 8.310 nan 0.000 0.478 473 F N 6.033 126.019 119.950 0.060 0.000 2.443 473 F HA 0.401 4.925 4.527 -0.006 0.000 0.369 473 F C -2.102 173.676 175.800 -0.035 0.000 1.090 473 F CA -2.156 55.852 58.000 0.012 0.000 1.129 473 F CB 1.435 40.418 39.000 -0.029 0.000 1.367 473 F HN 0.330 nan 8.300 nan 0.000 0.465 474 P HA 0.111 nan 4.420 nan 0.000 0.275 474 P C -0.041 177.272 177.300 0.022 0.000 1.228 474 P CA -0.022 63.152 63.100 0.124 0.000 0.786 474 P CB 2.473 34.292 31.700 0.198 0.000 0.927 475 C N 2.536 121.773 119.300 -0.106 0.000 3.120 475 C HA 0.330 4.787 4.460 -0.005 0.000 0.222 475 C C 0.428 175.346 174.990 -0.121 0.000 2.428 475 C CA 0.093 58.975 59.018 -0.226 0.000 1.422 475 C CB -1.329 26.140 27.740 -0.451 0.000 1.236 475 C HN 0.546 nan 8.230 nan 0.000 0.746 476 F N 1.914 121.636 119.950 -0.379 0.000 3.074 476 F HA -0.118 4.406 4.527 -0.006 0.000 0.287 476 F C 0.323 175.837 175.800 -0.477 0.000 0.932 476 F CA 1.089 58.883 58.000 -0.343 0.000 0.995 476 F CB -1.489 37.511 39.000 0.002 0.000 0.966 476 F HN 0.469 nan 8.300 nan 0.000 0.721 477 R N -2.037 117.932 120.500 -0.885 0.000 2.764 477 R HA 0.452 4.789 4.340 -0.005 0.000 0.270 477 R C -1.153 174.662 176.300 -0.808 0.000 1.014 477 R CA -1.104 54.704 56.100 -0.486 0.000 0.904 477 R CB 1.147 31.413 30.300 -0.056 0.000 1.236 477 R HN 0.094 nan 8.270 nan 0.000 0.466 478 W N 1.024 122.201 121.300 -0.206 0.000 2.266 478 W HA 0.288 4.944 4.660 -0.005 0.000 0.317 478 W C -0.056 176.382 176.519 -0.136 0.000 1.310 478 W CA -0.224 57.059 57.345 -0.102 0.000 1.207 478 W CB 0.891 30.409 29.460 0.096 0.000 1.199 478 W HN 0.058 nan 8.180 nan 0.000 0.544 479 V N 6.553 126.521 119.914 0.091 0.000 2.364 479 V HA 0.091 4.208 4.120 -0.005 0.000 0.272 479 V C 0.756 176.955 176.094 0.174 0.000 1.036 479 V CA -0.392 61.944 62.300 0.061 0.000 0.880 479 V CB 0.661 32.466 31.823 -0.030 0.000 0.991 479 V HN 0.539 nan 8.190 nan 0.000 0.460 480 I N 4.236 124.861 120.570 0.092 0.000 3.098 480 I HA 0.191 4.358 4.170 -0.005 0.000 0.241 480 I C 2.050 178.159 176.117 -0.013 0.000 1.081 480 I CA 1.499 62.829 61.300 0.051 0.000 1.487 480 I CB -1.052 36.953 38.000 0.010 0.000 1.366 480 I HN 0.651 nan 8.210 nan 0.000 0.463 481 K N -0.289 120.084 120.400 -0.045 0.000 2.485 481 K HA 0.215 4.532 4.320 -0.005 0.000 0.200 481 K C 0.322 176.850 176.600 -0.120 0.000 1.344 481 K CA 0.401 56.607 56.287 -0.135 0.000 0.948 481 K CB 0.272 32.721 32.500 -0.085 0.000 1.454 481 K HN 0.288 nan 8.250 nan 0.000 0.502 482 D N -0.471 119.923 120.400 -0.010 0.000 2.738 482 D HA 0.539 5.176 4.640 -0.005 0.000 0.237 482 D C -1.399 174.909 176.300 0.013 0.000 1.123 482 D CA -0.459 53.571 54.000 0.051 0.000 0.856 482 D CB 1.897 42.757 40.800 0.099 0.000 1.552 482 D HN 0.226 nan 8.370 nan 0.000 0.480 483 M N 2.155 121.754 119.600 -0.001 0.000 2.183 483 M HA 0.255 4.732 4.480 -0.005 0.000 0.277 483 M C -2.142 174.100 176.300 -0.098 0.000 0.995 483 M CA -0.546 54.711 55.300 -0.072 0.000 0.969 483 M CB 1.751 34.272 32.600 -0.132 0.000 1.659 483 M HN 0.040 nan 8.290 nan 0.000 0.462 484 V N 6.290 126.126 119.914 -0.131 0.000 2.498 484 V HA 0.571 4.688 4.120 -0.005 0.000 0.279 484 V C -0.264 175.614 176.094 -0.360 0.000 1.048 484 V CA -0.418 61.769 62.300 -0.188 0.000 0.967 484 V CB 0.987 32.726 31.823 -0.139 0.000 0.988 484 V HN 0.838 nan 8.190 nan 0.000 0.473 485 L N 4.768 125.798 121.223 -0.322 0.000 2.388 485 L HA 0.671 5.008 4.340 -0.005 0.000 0.264 485 L C -0.963 175.881 176.870 -0.044 0.000 0.998 485 L CA -0.367 54.291 54.840 -0.303 0.000 0.817 485 L CB 2.236 44.233 42.059 -0.104 0.000 1.338 485 L HN 0.473 nan 8.230 nan 0.000 0.414 486 F N 1.402 121.477 119.950 0.209 0.000 2.492 486 F HA 0.590 5.113 4.527 -0.005 0.000 0.327 486 F C -2.121 173.688 175.800 0.014 0.000 1.079 486 F CA -2.403 55.698 58.000 0.169 0.000 0.967 486 F CB 1.638 40.656 39.000 0.030 0.000 1.169 486 F HN 0.205 nan 8.300 nan 0.000 0.472 487 P HA 0.413 nan 4.420 nan 0.000 0.281 487 P C 0.160 177.362 177.300 -0.163 0.000 1.249 487 P CA 0.148 62.917 63.100 -0.552 0.000 0.810 487 P CB 1.557 32.893 31.700 -0.606 0.000 1.008 488 G N 2.062 110.771 108.800 -0.152 0.000 2.568 488 G HA2 -0.170 3.787 3.960 -0.005 0.000 0.222 488 G HA3 -0.170 3.787 3.960 -0.005 0.000 0.222 488 G C -0.792 174.117 174.900 0.014 0.000 1.321 488 G CA -0.434 44.634 45.100 -0.053 0.000 0.893 488 G HN 0.553 nan 8.290 nan 0.000 0.569 489 E N 0.448 120.675 120.200 0.045 0.000 2.392 489 E HA 0.569 4.916 4.350 -0.005 0.000 0.259 489 E C 1.058 177.718 176.600 0.101 0.000 1.108 489 E CA 0.448 56.921 56.400 0.122 0.000 0.916 489 E CB 0.684 30.472 29.700 0.147 0.000 0.989 489 E HN 1.225 nan 8.360 nan 0.000 0.432 490 A N 1.558 124.454 122.820 0.127 0.000 2.466 490 A HA 0.406 4.723 4.320 -0.005 0.000 0.238 490 A C 0.139 177.683 177.584 -0.067 0.000 1.074 490 A CA 0.209 52.198 52.037 -0.081 0.000 0.774 490 A CB -0.118 18.646 19.000 -0.392 0.000 1.015 490 A HN 0.607 nan 8.150 nan 0.000 0.498 491 T N -0.183 114.239 114.554 -0.219 0.000 2.903 491 T HA 0.634 4.981 4.350 -0.005 0.000 0.299 491 T C -0.325 174.076 174.700 -0.498 0.000 1.093 491 T CA -0.793 61.142 62.100 -0.275 0.000 1.002 491 T CB 0.722 69.457 68.868 -0.222 0.000 1.127 491 T HN 0.487 nan 8.240 nan 0.000 0.488 492 L N 2.635 123.477 121.223 -0.634 0.000 2.439 492 L HA 0.333 4.670 4.340 -0.005 0.000 0.261 492 L C -1.005 175.507 176.870 -0.597 0.000 1.153 492 L CA -2.453 51.909 54.840 -0.797 0.000 0.808 492 L CB 0.837 42.219 42.059 -1.128 0.000 1.126 492 L HN 0.502 nan 8.230 nan 0.000 0.460 493 P HA -0.203 nan 4.420 nan 0.000 0.218 493 P C 1.090 178.336 177.300 -0.090 0.000 1.148 493 P CA 1.568 64.594 63.100 -0.122 0.000 0.822 493 P CB -0.038 31.695 31.700 0.056 0.000 0.784 494 F N -1.099 118.825 119.950 -0.043 0.000 2.789 494 F HA 0.268 4.792 4.527 -0.005 0.000 0.300 494 F C 0.354 176.124 175.800 -0.050 0.000 1.132 494 F CA -1.276 56.703 58.000 -0.034 0.000 1.404 494 F CB -1.910 37.082 39.000 -0.013 0.000 1.114 494 F HN -0.255 nan 8.300 nan 0.000 0.584 495 N N 2.350 120.804 118.700 -0.410 0.000 2.454 495 N HA -0.037 4.700 4.740 -0.005 0.000 0.254 495 N C -0.264 175.181 175.510 -0.107 0.000 1.228 495 N CA -0.163 52.743 53.050 -0.239 0.000 0.900 495 N CB 0.406 38.702 38.487 -0.319 0.000 1.089 495 N HN 0.350 nan 8.380 nan 0.000 0.449 496 E N 2.140 122.309 120.200 -0.050 0.000 2.328 496 E HA 0.134 4.481 4.350 -0.005 0.000 0.265 496 E C -0.724 175.834 176.600 -0.070 0.000 1.057 496 E CA -0.496 55.881 56.400 -0.038 0.000 0.916 496 E CB 0.248 29.939 29.700 -0.016 0.000 0.993 496 E HN 0.332 nan 8.360 nan 0.000 0.446 497 V N 1.480 121.344 119.914 -0.083 0.000 3.181 497 V HA 0.636 4.753 4.120 -0.005 0.000 0.308 497 V C -2.551 173.486 176.094 -0.094 0.000 1.214 497 V CA -2.327 59.906 62.300 -0.113 0.000 1.053 497 V CB 0.997 32.705 31.823 -0.192 0.000 1.069 497 V HN 0.584 nan 8.190 nan 0.000 0.441 498 P HA 0.328 nan 4.420 nan 0.000 0.267 498 P C 0.883 178.136 177.300 -0.079 0.000 1.200 498 P CA 0.573 63.632 63.100 -0.069 0.000 0.772 498 P CB 0.836 32.501 31.700 -0.059 0.000 0.855 499 A N 2.924 125.716 122.820 -0.047 0.000 1.948 499 A HA -0.215 4.102 4.320 -0.005 0.000 0.220 499 A C 2.014 179.572 177.584 -0.044 0.000 1.177 499 A CA 1.604 53.617 52.037 -0.039 0.000 0.636 499 A CB -1.385 17.604 19.000 -0.019 0.000 0.815 499 A HN 0.686 nan 8.150 nan 0.000 0.449 500 I N -0.575 119.972 120.570 -0.039 0.000 2.361 500 I HA -0.179 3.988 4.170 -0.005 0.000 0.251 500 I C 2.130 178.220 176.117 -0.045 0.000 1.133 500 I CA 1.050 62.337 61.300 -0.022 0.000 1.413 500 I CB 0.047 38.044 38.000 -0.004 0.000 1.073 500 I HN 0.171 nan 8.210 nan 0.000 0.424 501 V N 0.305 120.135 119.914 -0.140 0.000 2.261 501 V HA -0.275 3.842 4.120 -0.005 0.000 0.246 501 V C 2.521 178.434 176.094 -0.300 0.000 1.047 501 V CA 2.258 64.333 62.300 -0.376 0.000 1.015 501 V CB -0.710 30.771 31.823 -0.571 0.000 0.642 501 V HN 0.436 nan 8.190 nan 0.000 0.446 502 S N -0.433 115.156 115.700 -0.185 0.000 2.383 502 S HA -0.246 4.221 4.470 -0.005 0.000 0.229 502 S C 1.882 176.466 174.600 -0.027 0.000 1.030 502 S CA 1.708 59.848 58.200 -0.100 0.000 1.002 502 S CB -0.335 62.826 63.200 -0.065 0.000 0.829 502 S HN 0.698 nan 8.310 nan 0.000 0.467 503 E N 0.826 121.019 120.200 -0.011 0.000 2.051 503 E HA -0.155 4.192 4.350 -0.005 0.000 0.192 503 E C 2.365 178.999 176.600 0.057 0.000 0.991 503 E CA 0.940 57.354 56.400 0.022 0.000 0.799 503 E CB -0.102 29.609 29.700 0.019 0.000 0.748 503 E HN 0.359 nan 8.360 nan 0.000 0.449 504 Q N 0.316 120.171 119.800 0.093 0.000 2.119 504 Q HA -0.128 4.209 4.340 -0.005 0.000 0.201 504 Q C 2.093 178.222 176.000 0.215 0.000 0.972 504 Q CA 0.992 56.901 55.803 0.177 0.000 0.847 504 Q CB -0.253 28.666 28.738 0.302 0.000 0.903 504 Q HN 0.219 nan 8.270 nan 0.000 0.433 505 R N 0.777 121.408 120.500 0.219 0.000 2.073 505 R HA -0.157 4.180 4.340 -0.005 0.000 0.234 505 R C 2.179 178.537 176.300 0.097 0.000 1.134 505 R CA 1.551 57.762 56.100 0.185 0.000 0.952 505 R CB 0.079 30.438 30.300 0.098 0.000 0.850 505 R HN 0.310 nan 8.270 nan 0.000 0.433 506 Q N -0.274 119.568 119.800 0.071 0.000 2.084 506 Q HA -0.169 4.168 4.340 -0.005 0.000 0.202 506 Q C 2.275 178.312 176.000 0.061 0.000 0.978 506 Q CA 1.976 57.815 55.803 0.060 0.000 0.844 506 Q CB 0.029 28.797 28.738 0.049 0.000 0.898 506 Q HN 0.088 nan 8.270 nan 0.000 0.426 507 K N 0.856 121.294 120.400 0.064 0.000 2.063 507 K HA -0.216 4.101 4.320 -0.005 0.000 0.208 507 K C 1.915 178.548 176.600 0.055 0.000 1.048 507 K CA 1.575 57.896 56.287 0.057 0.000 0.928 507 K CB -0.455 32.080 32.500 0.057 0.000 0.713 507 K HN 0.488 nan 8.250 nan 0.000 0.442 508 E N 0.363 120.597 120.200 0.056 0.000 2.070 508 E HA -0.207 4.140 4.350 -0.005 0.000 0.197 508 E C 2.051 178.684 176.600 0.054 0.000 1.004 508 E CA 1.706 58.130 56.400 0.039 0.000 0.805 508 E CB -0.168 29.535 29.700 0.006 0.000 0.744 508 E HN 0.361 nan 8.360 nan 0.000 0.451 509 L N 0.423 121.679 121.223 0.055 0.000 2.141 509 L HA -0.140 4.197 4.340 -0.005 0.000 0.209 509 L C 2.439 179.359 176.870 0.083 0.000 1.094 509 L CA 1.104 55.985 54.840 0.069 0.000 0.763 509 L CB -0.294 41.805 42.059 0.066 0.000 0.908 509 L HN 0.184 nan 8.230 nan 0.000 0.437 510 E N -0.332 119.911 120.200 0.072 0.000 2.051 510 E HA -0.304 4.043 4.350 -0.005 0.000 0.192 510 E C 2.122 178.764 176.600 0.070 0.000 0.991 510 E CA 1.288 57.729 56.400 0.068 0.000 0.799 510 E CB -0.050 29.683 29.700 0.055 0.000 0.748 510 E HN 0.292 nan 8.360 nan 0.000 0.449 511 Q N 0.945 120.785 119.800 0.067 0.000 2.084 511 Q HA -0.154 4.182 4.340 -0.005 0.000 0.202 511 Q C 1.990 178.049 176.000 0.098 0.000 0.978 511 Q CA 1.455 57.296 55.803 0.063 0.000 0.844 511 Q CB 0.029 28.799 28.738 0.053 0.000 0.898 511 Q HN 0.028 nan 8.270 nan 0.000 0.426 512 R N 0.476 121.068 120.500 0.153 0.000 2.096 512 R HA -0.139 4.198 4.340 -0.005 0.000 0.240 512 R C 2.141 178.595 176.300 0.256 0.000 1.139 512 R CA 1.798 58.069 56.100 0.285 0.000 0.952 512 R CB -0.470 29.975 30.300 0.241 0.000 0.854 512 R HN 0.367 nan 8.270 nan 0.000 0.436 513 K N 0.460 120.954 120.400 0.156 0.000 2.209 513 K HA -0.035 4.282 4.320 -0.005 0.000 0.204 513 K C 2.164 178.810 176.600 0.076 0.000 1.048 513 K CA 0.822 57.182 56.287 0.120 0.000 0.940 513 K CB -0.067 32.501 32.500 0.113 0.000 0.729 513 K HN 0.152 nan 8.250 nan 0.000 0.451 514 L N -0.103 121.151 121.223 0.052 0.000 2.131 514 L HA -0.091 4.246 4.340 -0.005 0.000 0.206 514 L C 2.176 179.012 176.870 -0.056 0.000 1.087 514 L CA 0.996 55.839 54.840 0.004 0.000 0.767 514 L CB -0.426 41.632 42.059 -0.001 0.000 0.917 514 L HN 0.103 nan 8.230 nan 0.000 0.441 515 T N -1.799 112.705 114.554 -0.085 0.000 2.896 515 T HA -0.059 4.288 4.350 -0.005 0.000 0.263 515 T C -0.021 174.406 174.700 -0.455 0.000 1.050 515 T CA 0.935 62.854 62.100 -0.302 0.000 1.140 515 T CB -0.104 68.532 68.868 -0.386 0.000 0.877 515 T HN 0.061 nan 8.240 nan 0.000 0.457 516 Y N 2.016 122.255 120.300 -0.102 0.000 2.478 516 Y HA 0.480 5.026 4.550 -0.005 0.000 0.329 516 Y C 0.224 176.003 175.900 -0.203 0.000 0.967 516 Y CA -0.948 57.058 58.100 -0.157 0.000 1.255 516 Y CB 0.645 39.047 38.460 -0.096 0.000 1.103 516 Y HN 0.045 nan 8.280 nan 0.000 0.497 517 Q N 1.847 121.572 119.800 -0.125 0.000 2.377 517 Q HA 0.318 4.655 4.340 -0.005 0.000 0.271 517 Q C -1.207 174.672 176.000 -0.200 0.000 1.077 517 Q CA -1.090 54.635 55.803 -0.129 0.000 0.820 517 Q CB 2.296 31.006 28.738 -0.046 0.000 1.347 517 Q HN 0.602 nan 8.270 nan 0.000 0.444 518 W N 1.295 122.555 121.300 -0.065 0.000 2.170 518 W HA 0.205 4.862 4.660 -0.005 0.000 0.336 518 W C 0.343 176.665 176.519 -0.327 0.000 1.283 518 W CA 0.593 57.806 57.345 -0.221 0.000 1.224 518 W CB 0.651 30.011 29.460 -0.167 0.000 1.132 518 W HN 0.479 nan 8.180 nan 0.000 0.571 519 D N 0.422 120.647 120.400 -0.292 0.000 2.583 519 D HA 0.414 5.050 4.640 -0.005 0.000 0.248 519 D C -1.861 174.058 176.300 -0.635 0.000 1.209 519 D CA -0.969 52.835 54.000 -0.328 0.000 0.848 519 D CB 1.525 42.254 40.800 -0.118 0.000 1.431 519 D HN 0.228 nan 8.370 nan 0.000 0.436 520 Y N 0.057 120.388 120.300 0.052 0.000 2.470 520 Y HA 0.262 4.809 4.550 -0.005 0.000 0.341 520 Y C 1.140 177.033 175.900 -0.011 0.000 1.021 520 Y CA -0.917 57.190 58.100 0.013 0.000 1.025 520 Y CB 2.019 40.475 38.460 -0.007 0.000 1.266 520 Y HN 0.069 nan 8.280 nan 0.000 0.448 521 V N 1.022 120.994 119.914 0.098 0.000 2.427 521 V HA -0.125 3.992 4.120 -0.005 0.000 0.248 521 V C 0.671 176.793 176.094 0.047 0.000 1.051 521 V CA 1.960 64.282 62.300 0.038 0.000 1.048 521 V CB -0.291 31.524 31.823 -0.013 0.000 0.666 521 V HN 0.855 nan 8.190 nan 0.000 0.456 522 S N -2.719 113.021 115.700 0.066 0.000 2.655 522 S HA 0.239 4.706 4.470 -0.005 0.000 0.266 522 S C -0.197 174.416 174.600 0.022 0.000 1.149 522 S CA -0.353 57.870 58.200 0.038 0.000 0.818 522 S CB 1.067 64.279 63.200 0.020 0.000 1.130 522 S HN 0.031 nan 8.310 nan 0.000 0.476 523 D N 0.709 121.104 120.400 -0.009 0.000 2.309 523 D HA 0.060 4.697 4.640 -0.005 0.000 0.212 523 D C 0.102 176.428 176.300 0.043 0.000 0.968 523 D CA 1.106 55.074 54.000 -0.053 0.000 0.882 523 D CB -0.170 40.603 40.800 -0.045 0.000 0.918 523 D HN 0.536 nan 8.370 nan 0.000 0.503 524 D N -0.465 120.021 120.400 0.144 0.000 2.463 524 D HA 0.092 4.729 4.640 -0.005 0.000 0.224 524 D C 0.276 176.744 176.300 0.280 0.000 1.174 524 D CA -0.026 54.185 54.000 0.352 0.000 0.829 524 D CB 0.538 41.486 40.800 0.246 0.000 0.993 524 D HN 0.073 nan 8.370 nan 0.000 0.497 525 M N 1.156 120.787 119.600 0.052 0.000 2.530 525 M HA 0.355 4.832 4.480 -0.005 0.000 0.307 525 M C -2.584 173.433 176.300 -0.472 0.000 1.161 525 M CA -2.365 52.752 55.300 -0.305 0.000 0.903 525 M CB 2.358 34.860 32.600 -0.163 0.000 1.711 525 M HN -0.323 nan 8.290 nan 0.000 0.451 526 P HA 0.120 nan 4.420 nan 0.000 0.269 526 P C 0.169 177.451 177.300 -0.031 0.000 1.209 526 P CA -0.072 62.711 63.100 -0.529 0.000 0.776 526 P CB 0.235 31.544 31.700 -0.651 0.000 0.876 527 G N 2.728 111.641 108.800 0.188 0.000 2.414 527 G HA2 0.124 4.080 3.960 -0.005 0.000 0.236 527 G HA3 0.124 4.080 3.960 -0.005 0.000 0.236 527 G C 0.200 175.231 174.900 0.218 0.000 1.293 527 G CA -0.495 44.701 45.100 0.160 0.000 0.869 527 G HN 0.765 nan 8.290 nan 0.000 0.556 528 N N 1.221 119.931 118.700 0.015 0.000 2.545 528 N HA 0.352 5.088 4.740 -0.005 0.000 0.289 528 N C -0.598 174.862 175.510 -0.085 0.000 1.279 528 N CA -1.034 52.013 53.050 -0.004 0.000 0.824 528 N CB 2.068 40.533 38.487 -0.037 0.000 1.395 528 N HN 0.407 nan 8.380 nan 0.000 0.526 529 I N 0.209 120.718 120.570 -0.101 0.000 2.588 529 I HA 0.008 4.175 4.170 -0.005 0.000 0.283 529 I C 0.690 176.729 176.117 -0.130 0.000 1.119 529 I CA -0.299 60.916 61.300 -0.141 0.000 1.419 529 I CB 0.472 38.404 38.000 -0.113 0.000 1.394 529 I HN 0.485 nan 8.210 nan 0.000 0.562 530 K N 7.213 127.531 120.400 -0.137 0.000 2.349 530 K HA 0.540 4.857 4.320 -0.005 0.000 0.289 530 K C -1.187 175.335 176.600 -0.130 0.000 1.064 530 K CA -0.164 56.055 56.287 -0.113 0.000 0.947 530 K CB 0.394 32.840 32.500 -0.090 0.000 1.007 530 K HN 0.726 nan 8.250 nan 0.000 0.478 531 A N 3.177 125.927 122.820 -0.116 0.000 2.530 531 A HA 0.423 4.740 4.320 -0.005 0.000 0.297 531 A C 0.088 177.614 177.584 -0.097 0.000 1.059 531 A CA -0.368 51.592 52.037 -0.128 0.000 0.782 531 A CB 1.150 20.052 19.000 -0.162 0.000 1.301 531 A HN 0.721 nan 8.150 nan 0.000 0.394 532 K N 0.649 120.997 120.400 -0.087 0.000 2.001 532 K HA 0.294 4.611 4.320 -0.005 0.000 0.208 532 K C 1.132 177.697 176.600 -0.058 0.000 1.048 532 K CA 2.573 58.822 56.287 -0.063 0.000 0.932 532 K CB -0.671 31.796 32.500 -0.056 0.000 0.715 532 K HN 2.058 nan 8.250 nan 0.000 0.437 533 T N -5.101 109.413 114.554 -0.066 0.000 2.838 533 T HA 0.306 4.653 4.350 -0.005 0.000 0.292 533 T C 0.775 175.439 174.700 -0.059 0.000 1.113 533 T CA 0.004 62.078 62.100 -0.043 0.000 1.008 533 T CB 1.206 70.062 68.868 -0.020 0.000 1.259 533 T HN 0.317 nan 8.240 nan 0.000 0.520 534 H N 0.509 119.500 119.070 -0.132 0.000 2.353 534 H HA -0.124 4.428 4.556 -0.005 0.000 0.298 534 H C 0.726 175.963 175.328 -0.151 0.000 1.103 534 H CA 2.392 58.337 56.048 -0.171 0.000 1.293 534 H CB -0.223 29.426 29.762 -0.188 0.000 1.372 534 H HN 0.618 nan 8.280 nan 0.000 0.501 535 D N 0.079 120.452 120.400 -0.045 0.000 2.371 535 D HA -0.048 4.589 4.640 -0.005 0.000 0.221 535 D C 1.608 177.800 176.300 -0.180 0.000 0.986 535 D CA 1.043 54.979 54.000 -0.107 0.000 0.899 535 D CB -0.496 40.298 40.800 -0.010 0.000 0.902 535 D HN 0.778 nan 8.370 nan 0.000 0.530 536 D N -0.050 120.242 120.400 -0.181 0.000 2.340 536 D HA 0.107 4.744 4.640 -0.005 0.000 0.220 536 D C 1.104 177.252 176.300 -0.252 0.000 1.039 536 D CA 0.057 53.944 54.000 -0.187 0.000 0.866 536 D CB -0.148 40.564 40.800 -0.146 0.000 0.913 536 D HN 0.111 nan 8.370 nan 0.000 0.523 537 L N 0.172 121.200 121.223 -0.326 0.000 2.417 537 L HA 0.364 4.701 4.340 -0.005 0.000 0.268 537 L C -2.055 174.589 176.870 -0.376 0.000 1.158 537 L CA -1.887 52.731 54.840 -0.370 0.000 0.819 537 L CB 1.336 43.129 42.059 -0.443 0.000 1.112 537 L HN -0.006 nan 8.230 nan 0.000 0.458 538 P HA -0.014 nan 4.420 nan 0.000 0.265 538 P C 0.145 177.256 177.300 -0.315 0.000 1.187 538 P CA 0.114 62.978 63.100 -0.392 0.000 0.766 538 P CB 0.464 31.832 31.700 -0.553 0.000 0.820 539 R N 2.333 122.666 120.500 -0.279 0.000 2.152 539 R HA -0.168 4.169 4.340 -0.005 0.000 0.232 539 R C 1.095 177.327 176.300 -0.113 0.000 1.117 539 R CA 1.438 57.335 56.100 -0.339 0.000 0.981 539 R CB -0.265 29.663 30.300 -0.619 0.000 0.870 539 R HN 0.476 nan 8.270 nan 0.000 0.451 540 D N -0.384 120.047 120.400 0.052 0.000 2.265 540 D HA -0.124 4.513 4.640 -0.005 0.000 0.208 540 D C 1.445 177.819 176.300 0.124 0.000 0.977 540 D CA 1.436 55.593 54.000 0.261 0.000 0.871 540 D CB 0.298 41.136 40.800 0.064 0.000 0.925 540 D HN 0.308 nan 8.370 nan 0.000 0.485 541 V N -2.646 117.202 119.914 -0.110 0.000 3.380 541 V HA 0.237 4.354 4.120 -0.005 0.000 0.307 541 V C 0.560 176.559 176.094 -0.157 0.000 1.434 541 V CA -0.455 61.770 62.300 -0.125 0.000 1.075 541 V CB -0.069 31.606 31.823 -0.246 0.000 0.954 541 V HN -0.138 nan 8.190 nan 0.000 0.444 542 Q N 0.421 120.127 119.800 -0.155 0.000 2.443 542 Q HA 0.372 4.709 4.340 -0.005 0.000 0.232 542 Q C -0.524 175.594 176.000 0.196 0.000 1.026 542 Q CA -0.705 54.993 55.803 -0.176 0.000 0.924 542 Q CB 0.728 29.305 28.738 -0.269 0.000 1.256 542 Q HN 0.435 nan 8.270 nan 0.000 0.519 543 F N 1.446 121.596 119.950 0.334 0.000 2.602 543 F HA -0.057 4.468 4.527 -0.004 0.000 0.367 543 F C 1.168 177.116 175.800 0.247 0.000 1.126 543 F CA -0.325 57.796 58.000 0.202 0.000 1.321 543 F CB -0.043 39.021 39.000 0.108 0.000 1.094 543 F HN 0.483 nan 8.300 nan 0.000 0.594 544 T N -0.253 114.588 114.554 0.478 0.000 2.855 544 T HA -0.028 4.319 4.350 -0.005 0.000 0.322 544 T C 0.946 175.796 174.700 0.250 0.000 1.088 544 T CA -0.309 61.992 62.100 0.335 0.000 1.104 544 T CB 0.408 69.416 68.868 0.232 0.000 0.996 544 T HN 0.529 nan 8.240 nan 0.000 0.549 545 D N 0.854 121.386 120.400 0.221 0.000 2.182 545 D HA -0.061 4.576 4.640 -0.005 0.000 0.201 545 D C 1.988 178.351 176.300 0.106 0.000 0.986 545 D CA 1.312 55.417 54.000 0.174 0.000 0.847 545 D CB -0.023 40.888 40.800 0.184 0.000 0.942 545 D HN 0.753 nan 8.370 nan 0.000 0.467 546 E N 0.460 120.705 120.200 0.076 0.000 2.077 546 E HA -0.135 4.212 4.350 -0.005 0.000 0.193 546 E C 1.826 178.421 176.600 -0.008 0.000 0.989 546 E CA 0.909 57.328 56.400 0.031 0.000 0.800 546 E CB 0.030 29.739 29.700 0.016 0.000 0.746 546 E HN 0.207 nan 8.360 nan 0.000 0.452 547 K N 0.119 120.482 120.400 -0.063 0.000 2.097 547 K HA 0.011 4.328 4.320 -0.005 0.000 0.205 547 K C 2.324 178.757 176.600 -0.279 0.000 1.050 547 K CA 1.101 57.197 56.287 -0.319 0.000 0.938 547 K CB -0.044 32.022 32.500 -0.722 0.000 0.718 547 K HN -0.030 nan 8.250 nan 0.000 0.442 548 S N 0.930 116.626 115.700 -0.007 0.000 2.368 548 S HA -0.155 4.312 4.470 -0.005 0.000 0.225 548 S C 1.917 176.606 174.600 0.149 0.000 1.030 548 S CA 1.173 59.480 58.200 0.178 0.000 0.999 548 S CB -0.143 63.169 63.200 0.186 0.000 0.844 548 S HN 0.297 nan 8.310 nan 0.000 0.459 549 R N 0.922 121.476 120.500 0.091 0.000 2.073 549 R HA -0.064 4.273 4.340 -0.005 0.000 0.234 549 R C 2.578 178.918 176.300 0.067 0.000 1.134 549 R CA 1.602 57.746 56.100 0.075 0.000 0.952 549 R CB -0.562 29.773 30.300 0.057 0.000 0.850 549 R HN 0.340 nan 8.270 nan 0.000 0.433 550 S N -0.537 115.192 115.700 0.049 0.000 2.359 550 S HA -0.241 4.226 4.470 -0.005 0.000 0.224 550 S C 1.778 176.427 174.600 0.082 0.000 1.035 550 S CA 1.543 59.773 58.200 0.050 0.000 1.018 550 S CB -0.495 62.718 63.200 0.022 0.000 0.876 550 S HN 0.559 nan 8.310 nan 0.000 0.448 551 Y N 1.724 122.016 120.300 -0.013 0.000 2.133 551 Y HA -0.106 4.441 4.550 -0.006 0.000 0.287 551 Y C 2.465 178.405 175.900 0.066 0.000 1.134 551 Y CA 2.230 60.356 58.100 0.044 0.000 1.133 551 Y CB -0.910 37.628 38.460 0.130 0.000 0.987 551 Y HN 0.365 nan 8.280 nan 0.000 0.502 552 Q N -0.143 119.666 119.800 0.016 0.000 2.061 552 Q HA -0.212 4.124 4.340 -0.005 0.000 0.204 552 Q C 2.113 178.068 176.000 -0.075 0.000 0.984 552 Q CA 1.836 57.598 55.803 -0.069 0.000 0.846 552 Q CB -0.156 28.614 28.738 0.055 0.000 0.902 552 Q HN 0.472 nan 8.270 nan 0.000 0.421 553 E N 0.179 120.375 120.200 -0.007 0.000 2.110 553 E HA -0.152 4.195 4.350 -0.005 0.000 0.193 553 E C 2.201 178.829 176.600 0.048 0.000 0.988 553 E CA 1.425 57.838 56.400 0.021 0.000 0.804 553 E CB -0.240 29.488 29.700 0.047 0.000 0.745 553 E HN 0.381 nan 8.360 nan 0.000 0.458 554 S N 0.961 116.682 115.700 0.035 0.000 2.382 554 S HA -0.105 4.362 4.470 -0.005 0.000 0.228 554 S C 1.905 176.583 174.600 0.131 0.000 1.027 554 S CA 0.545 58.830 58.200 0.140 0.000 0.991 554 S CB -0.066 63.117 63.200 -0.028 0.000 0.823 554 S HN 0.076 nan 8.310 nan 0.000 0.469 555 R N 1.786 122.233 120.500 -0.089 0.000 2.075 555 R HA 0.115 4.452 4.340 -0.005 0.000 0.232 555 R C 2.366 178.659 176.300 -0.012 0.000 1.126 555 R CA 1.316 57.362 56.100 -0.090 0.000 0.963 555 R CB -0.667 29.487 30.300 -0.242 0.000 0.858 555 R HN 0.566 nan 8.270 nan 0.000 0.435 556 K N 0.659 121.047 120.400 -0.020 0.000 2.002 556 K HA -0.054 4.263 4.320 -0.005 0.000 0.209 556 K C 2.210 178.798 176.600 -0.021 0.000 1.048 556 K CA 1.499 57.776 56.287 -0.016 0.000 0.930 556 K CB -0.264 32.228 32.500 -0.014 0.000 0.714 556 K HN 0.117 nan 8.250 nan 0.000 0.438 557 A N 1.633 124.457 122.820 0.006 0.000 1.940 557 A HA -0.177 4.140 4.320 -0.005 0.000 0.219 557 A C 2.382 179.861 177.584 -0.175 0.000 1.176 557 A CA 2.019 54.013 52.037 -0.072 0.000 0.631 557 A CB -0.721 18.283 19.000 0.006 0.000 0.814 557 A HN 0.373 nan 8.150 nan 0.000 0.446 558 A N -0.337 122.501 122.820 0.030 0.000 1.898 558 A HA -0.014 4.303 4.320 -0.005 0.000 0.216 558 A C 2.166 179.767 177.584 0.030 0.000 1.181 558 A CA 1.434 53.561 52.037 0.150 0.000 0.620 558 A CB -0.595 18.645 19.000 0.400 0.000 0.819 558 A HN 0.471 nan 8.150 nan 0.000 0.442 559 L N -0.482 120.745 121.223 0.006 0.000 2.042 559 L HA -0.181 4.156 4.340 -0.005 0.000 0.210 559 L C 2.540 179.358 176.870 -0.086 0.000 1.076 559 L CA 1.151 55.978 54.840 -0.022 0.000 0.749 559 L CB -0.562 41.485 42.059 -0.020 0.000 0.893 559 L HN 0.258 nan 8.230 nan 0.000 0.432 560 V N -0.023 119.808 119.914 -0.138 0.000 2.307 560 V HA -0.255 3.862 4.120 -0.005 0.000 0.245 560 V C 2.190 178.122 176.094 -0.271 0.000 1.045 560 V CA 1.853 64.047 62.300 -0.175 0.000 1.024 560 V CB -0.658 31.065 31.823 -0.168 0.000 0.651 560 V HN 0.487 nan 8.190 nan 0.000 0.449 561 N N 0.168 118.579 118.700 -0.482 0.000 2.188 561 N HA -0.076 4.661 4.740 -0.005 0.000 0.184 561 N C 1.790 177.053 175.510 -0.412 0.000 1.018 561 N CA 1.196 53.796 53.050 -0.751 0.000 0.858 561 N CB -0.422 36.952 38.487 -1.854 0.000 0.989 561 N HN 0.384 nan 8.380 nan 0.000 0.426 562 L N 0.264 121.386 121.223 -0.167 0.000 2.017 562 L HA -0.085 4.252 4.340 -0.005 0.000 0.208 562 L C 2.422 179.274 176.870 -0.030 0.000 1.073 562 L CA 1.455 56.324 54.840 0.048 0.000 0.745 562 L CB -0.809 41.310 42.059 0.101 0.000 0.894 562 L HN 0.216 nan 8.230 nan 0.000 0.432 563 G N -0.024 108.734 108.800 -0.071 0.000 2.402 563 G HA2 -0.193 3.764 3.960 -0.005 0.000 0.216 563 G HA3 -0.193 3.764 3.960 -0.005 0.000 0.216 563 G C 1.577 176.437 174.900 -0.067 0.000 1.162 563 G CA 0.617 45.677 45.100 -0.066 0.000 0.777 563 G HN 0.276 nan 8.290 nan 0.000 0.539 564 I N 1.222 121.734 120.570 -0.096 0.000 2.252 564 I HA -0.059 4.108 4.170 -0.005 0.000 0.245 564 I C 3.069 179.171 176.117 -0.025 0.000 1.102 564 I CA 0.989 62.245 61.300 -0.073 0.000 1.385 564 I CB -0.423 37.500 38.000 -0.128 0.000 1.064 564 I HN 0.242 nan 8.210 nan 0.000 0.414 565 G N -0.331 108.443 108.800 -0.044 0.000 2.422 565 G HA2 -0.287 3.670 3.960 -0.005 0.000 0.218 565 G HA3 -0.287 3.670 3.960 -0.005 0.000 0.218 565 G C 1.771 176.700 174.900 0.048 0.000 1.146 565 G CA 1.034 46.155 45.100 0.034 0.000 0.769 565 G HN 0.391 nan 8.290 nan 0.000 0.547 566 S N -0.004 115.686 115.700 -0.016 0.000 2.356 566 S HA -0.038 4.429 4.470 -0.005 0.000 0.223 566 S C 2.439 176.974 174.600 -0.109 0.000 1.032 566 S CA 1.180 59.333 58.200 -0.080 0.000 1.005 566 S CB -0.290 62.855 63.200 -0.091 0.000 0.867 566 S HN 0.331 nan 8.310 nan 0.000 0.449 567 L N -0.291 120.893 121.223 -0.065 0.000 2.046 567 L HA -0.048 4.288 4.340 -0.005 0.000 0.208 567 L C 2.329 179.168 176.870 -0.052 0.000 1.077 567 L CA 1.751 56.545 54.840 -0.077 0.000 0.747 567 L CB -0.551 41.495 42.059 -0.023 0.000 0.896 567 L HN 0.393 nan 8.230 nan 0.000 0.432 568 F N 0.826 120.723 119.950 -0.089 0.000 2.134 568 F HA -0.225 4.300 4.527 -0.004 0.000 0.299 568 F C 2.506 178.278 175.800 -0.046 0.000 1.097 568 F CA 1.819 59.789 58.000 -0.050 0.000 1.264 568 F CB -0.076 38.907 39.000 -0.029 0.000 1.001 568 F HN 0.100 nan 8.300 nan 0.000 0.479 569 T N -2.255 112.334 114.554 0.057 0.000 3.122 569 T HA 0.046 4.393 4.350 -0.005 0.000 0.250 569 T C 1.732 176.325 174.700 -0.178 0.000 1.067 569 T CA 0.234 62.340 62.100 0.010 0.000 0.966 569 T CB -0.445 68.486 68.868 0.105 0.000 1.002 569 T HN 0.425 nan 8.240 nan 0.000 0.542 570 M N 0.707 120.097 119.600 -0.350 0.000 2.082 570 M HA 0.008 4.484 4.480 -0.005 0.000 0.258 570 M C 0.383 176.237 176.300 -0.743 0.000 1.069 570 M CA 1.938 56.835 55.300 -0.673 0.000 1.102 570 M CB -0.230 31.748 32.600 -1.037 0.000 1.336 570 M HN 0.410 nan 8.290 nan 0.000 0.404 571 F N 0.187 120.097 119.950 -0.067 0.000 2.684 571 F HA 0.288 4.812 4.527 -0.005 0.000 0.298 571 F C 0.131 175.918 175.800 -0.022 0.000 1.120 571 F CA -0.721 57.248 58.000 -0.051 0.000 1.332 571 F CB -0.030 38.936 39.000 -0.057 0.000 0.986 571 F HN 0.003 nan 8.300 nan 0.000 0.524 572 E N 1.519 121.772 120.200 0.088 0.000 2.344 572 E HA 0.140 4.487 4.350 -0.005 0.000 0.270 572 E C 0.368 177.082 176.600 0.190 0.000 1.021 572 E CA -0.123 56.371 56.400 0.157 0.000 0.887 572 E CB 0.543 30.406 29.700 0.273 0.000 0.997 572 E HN 0.484 nan 8.360 nan 0.000 0.429 573 N N 4.573 123.366 118.700 0.154 0.000 2.406 573 N HA -0.009 4.728 4.740 -0.005 0.000 0.251 573 N C -0.853 174.768 175.510 0.185 0.000 1.069 573 N CA -0.411 52.722 53.050 0.138 0.000 0.947 573 N CB 0.466 38.998 38.487 0.074 0.000 1.111 573 N HN 0.460 nan 8.380 nan 0.000 0.497 574 W N 2.324 123.575 121.300 -0.082 0.000 2.481 574 W HA 0.153 4.809 4.660 -0.006 0.000 0.320 574 W C -0.292 176.172 176.519 -0.091 0.000 1.209 574 W CA -0.185 57.084 57.345 -0.126 0.000 1.400 574 W CB 0.932 30.281 29.460 -0.184 0.000 1.361 574 W HN 0.749 nan 8.180 nan 0.000 0.456 575 D N 2.191 122.500 120.400 -0.152 0.000 2.457 575 D HA -0.011 4.626 4.640 -0.005 0.000 0.254 575 D C 0.062 176.260 176.300 -0.170 0.000 1.097 575 D CA 0.726 54.658 54.000 -0.113 0.000 0.870 575 D CB 1.000 41.743 40.800 -0.096 0.000 1.253 575 D HN 0.240 nan 8.370 nan 0.000 0.500 576 S N -1.595 113.948 115.700 -0.262 0.000 2.565 576 S HA 0.267 4.734 4.470 -0.005 0.000 0.269 576 S C 0.444 174.941 174.600 -0.171 0.000 1.153 576 S CA -0.713 57.353 58.200 -0.224 0.000 0.835 576 S CB 0.280 63.419 63.200 -0.102 0.000 1.122 576 S HN 0.029 nan 8.310 nan 0.000 0.462 577 Y N 0.733 121.111 120.300 0.130 0.000 2.207 577 Y HA -0.154 4.392 4.550 -0.005 0.000 0.287 577 Y C 1.922 177.960 175.900 0.230 0.000 1.156 577 Y CA 1.465 59.682 58.100 0.195 0.000 1.182 577 Y CB -0.260 38.429 38.460 0.382 0.000 0.979 577 Y HN 0.620 nan 8.280 nan 0.000 0.521 578 D N -0.033 120.585 120.400 0.364 0.000 2.310 578 D HA -0.138 4.498 4.640 -0.005 0.000 0.212 578 D C 1.365 177.765 176.300 0.167 0.000 0.965 578 D CA 0.967 55.199 54.000 0.386 0.000 0.879 578 D CB -0.378 40.631 40.800 0.348 0.000 0.921 578 D HN 0.402 nan 8.370 nan 0.000 0.510 579 D N -0.106 120.175 120.400 -0.199 0.000 2.182 579 D HA -0.178 4.459 4.640 -0.005 0.000 0.201 579 D C 1.634 177.527 176.300 -0.678 0.000 0.986 579 D CA 0.763 54.341 54.000 -0.703 0.000 0.847 579 D CB -0.383 39.484 40.800 -1.555 0.000 0.942 579 D HN 0.393 nan 8.370 nan 0.000 0.467 580 Y N 0.361 120.451 120.300 -0.350 0.000 2.497 580 Y HA -0.110 4.437 4.550 -0.006 0.000 0.292 580 Y C 2.332 178.283 175.900 0.085 0.000 1.137 580 Y CA 0.746 58.822 58.100 -0.040 0.000 1.285 580 Y CB -0.235 38.038 38.460 -0.312 0.000 0.991 580 Y HN 0.242 nan 8.280 nan 0.000 0.556 581 H N -1.111 118.144 119.070 0.309 0.000 2.457 581 H HA -0.136 4.417 4.556 -0.005 0.000 0.294 581 H C 2.253 177.307 175.328 -0.457 0.000 1.064 581 H CA 1.390 57.409 56.048 -0.048 0.000 1.330 581 H CB -0.190 29.528 29.762 -0.073 0.000 1.395 581 H HN 0.368 nan 8.280 nan 0.000 0.541 582 I N 1.218 121.768 120.570 -0.034 0.000 2.335 582 I HA -0.230 3.937 4.170 -0.005 0.000 0.251 582 I C 2.076 178.176 176.117 -0.027 0.000 1.129 582 I CA 1.004 62.288 61.300 -0.028 0.000 1.402 582 I CB -0.322 37.761 38.000 0.138 0.000 1.069 582 I HN 0.101 nan 8.210 nan 0.000 0.424 583 L N -0.517 120.741 121.223 0.059 0.000 2.291 583 L HA -0.144 4.193 4.340 -0.005 0.000 0.214 583 L C 1.875 178.879 176.870 0.224 0.000 1.120 583 L CA 0.821 55.765 54.840 0.173 0.000 0.799 583 L CB -0.751 41.434 42.059 0.211 0.000 0.925 583 L HN 0.468 nan 8.230 nan 0.000 0.446 584 Y N -2.378 118.062 120.300 0.234 0.000 2.457 584 Y HA 0.233 4.779 4.550 -0.006 0.000 0.263 584 Y C 2.295 178.381 175.900 0.310 0.000 1.164 584 Y CA -0.544 57.688 58.100 0.220 0.000 1.274 584 Y CB -0.644 37.901 38.460 0.141 0.000 1.097 584 Y HN -0.096 nan 8.280 nan 0.000 0.523 585 R N 1.970 122.548 120.500 0.129 0.000 2.092 585 R HA -0.115 4.221 4.340 -0.005 0.000 0.231 585 R C 1.026 177.385 176.300 0.098 0.000 1.119 585 R CA 1.533 57.679 56.100 0.077 0.000 0.970 585 R CB -0.143 30.095 30.300 -0.102 0.000 0.864 585 R HN 0.530 nan 8.270 nan 0.000 0.440 586 N N -0.760 117.978 118.700 0.064 0.000 2.346 586 N HA -0.045 4.692 4.740 -0.005 0.000 0.225 586 N C -1.206 174.150 175.510 -0.258 0.000 1.144 586 N CA -0.016 52.958 53.050 -0.127 0.000 0.837 586 N CB -0.020 38.308 38.487 -0.264 0.000 1.069 586 N HN 0.090 nan 8.380 nan 0.000 0.487 587 W N 0.214 121.493 121.300 -0.035 0.000 2.666 587 W HA 0.522 5.178 4.660 -0.006 0.000 0.334 587 W C -0.143 176.376 176.519 -0.001 0.000 1.051 587 W CA -0.881 56.412 57.345 -0.086 0.000 1.224 587 W CB 1.099 30.532 29.460 -0.045 0.000 1.405 587 W HN -0.198 nan 8.180 nan 0.000 0.513 588 I N 4.714 125.406 120.570 0.204 0.000 2.294 588 I HA 0.106 4.273 4.170 -0.005 0.000 0.295 588 I C 0.423 176.766 176.117 0.376 0.000 1.098 588 I CA 0.028 61.475 61.300 0.244 0.000 1.277 588 I CB -0.051 38.079 38.000 0.216 0.000 1.434 588 I HN 0.592 nan 8.210 nan 0.000 0.498 589 L N 4.326 125.729 121.223 0.299 0.000 2.817 589 L HA 0.306 4.643 4.340 -0.005 0.000 0.248 589 L C 1.355 178.345 176.870 0.199 0.000 1.133 589 L CA 0.208 55.214 54.840 0.277 0.000 0.935 589 L CB 0.496 42.685 42.059 0.217 0.000 1.266 589 L HN 0.846 nan 8.230 nan 0.000 0.535 590 G N 0.325 109.230 108.800 0.174 0.000 2.131 590 G HA2 -0.012 3.945 3.960 -0.005 0.000 0.223 590 G HA3 -0.012 3.945 3.960 -0.005 0.000 0.223 590 G C 0.449 175.408 174.900 0.098 0.000 0.990 590 G CA -0.058 45.123 45.100 0.134 0.000 0.671 590 G HN 0.802 nan 8.290 nan 0.000 0.521 591 G N -2.138 106.718 108.800 0.094 0.000 2.335 591 G HA2 0.468 4.425 3.960 -0.005 0.000 0.592 591 G HA3 0.468 4.425 3.960 -0.005 0.000 0.592 591 G C -0.283 174.635 174.900 0.030 0.000 1.442 591 G CA 0.165 45.301 45.100 0.060 0.000 0.976 591 G HN 1.263 nan 8.290 nan 0.000 0.652 592 T N 3.245 117.805 114.554 0.010 0.000 2.933 592 T HA 0.361 4.708 4.350 -0.005 0.000 0.306 592 T C -1.875 172.722 174.700 -0.172 0.000 1.045 592 T CA 0.420 62.462 62.100 -0.096 0.000 1.143 592 T CB 0.559 69.425 68.868 -0.005 0.000 1.003 592 T HN 0.448 nan 8.240 nan 0.000 0.540 593 P HA 0.000 nan 4.420 nan 0.000 0.261 593 P C 0.847 178.081 177.300 -0.110 0.000 1.173 593 P CA 0.083 63.067 63.100 -0.193 0.000 0.760 593 P CB 0.197 31.739 31.700 -0.263 0.000 0.783 594 N N 3.047 121.722 118.700 -0.042 0.000 2.550 594 N HA -0.079 4.657 4.740 -0.005 0.000 0.186 594 N C 0.734 176.185 175.510 -0.099 0.000 1.110 594 N CA 0.360 53.371 53.050 -0.064 0.000 0.912 594 N CB -0.171 38.292 38.487 -0.041 0.000 0.968 594 N HN 0.280 nan 8.380 nan 0.000 0.448 595 M N 0.222 119.805 119.600 -0.029 0.000 2.428 595 M HA 0.236 4.713 4.480 -0.005 0.000 0.239 595 M C 1.997 178.368 176.300 0.119 0.000 1.121 595 M CA -0.072 55.242 55.300 0.023 0.000 1.019 595 M CB -0.253 32.411 32.600 0.107 0.000 1.485 595 M HN 0.271 nan 8.290 nan 0.000 0.484 596 A N 1.753 124.594 122.820 0.035 0.000 1.948 596 A HA -0.196 4.121 4.320 -0.005 0.000 0.220 596 A C 1.611 179.265 177.584 0.117 0.000 1.177 596 A CA 2.281 54.318 52.037 0.000 0.000 0.636 596 A CB -0.657 18.344 19.000 0.001 0.000 0.815 596 A HN 0.582 nan 8.150 nan 0.000 0.449 597 D N -1.154 119.281 120.400 0.058 0.000 2.340 597 D HA -0.047 4.590 4.640 -0.005 0.000 0.220 597 D C 1.253 177.624 176.300 0.118 0.000 1.039 597 D CA 0.764 54.802 54.000 0.063 0.000 0.866 597 D CB -0.247 40.529 40.800 -0.040 0.000 0.913 597 D HN 0.736 nan 8.370 nan 0.000 0.523 598 R N -0.336 120.222 120.500 0.098 0.000 2.504 598 R HA 0.100 4.437 4.340 -0.005 0.000 0.341 598 R C 1.540 177.812 176.300 -0.047 0.000 0.905 598 R CA -0.488 55.552 56.100 -0.100 0.000 1.133 598 R CB -1.241 28.775 30.300 -0.474 0.000 1.704 598 R HN 0.140 nan 8.270 nan 0.000 0.503 599 W N 3.141 124.535 121.300 0.157 0.000 2.331 599 W HA -0.217 4.439 4.660 -0.006 0.000 0.291 599 W C 0.825 177.481 176.519 0.228 0.000 1.214 599 W CA 1.749 59.233 57.345 0.232 0.000 1.228 599 W CB -0.992 28.669 29.460 0.335 0.000 1.135 599 W HN 0.279 nan 8.180 nan 0.000 0.537 600 H N 0.141 118.501 119.070 -1.183 0.000 2.548 600 H HA 0.286 4.839 4.556 -0.006 0.000 0.265 600 H C -0.396 174.648 175.328 -0.475 0.000 0.969 600 H CA 0.325 55.592 56.048 -1.302 0.000 1.155 600 H CB -0.768 27.991 29.762 -1.670 0.000 1.394 600 H HN 0.200 nan 8.280 nan 0.000 0.570 601 E N 1.739 121.540 120.200 -0.666 0.000 2.259 601 E HA 0.013 4.359 4.350 -0.005 0.000 0.281 601 E C 0.103 176.690 176.600 -0.022 0.000 1.027 601 E CA -0.481 55.732 56.400 -0.312 0.000 0.838 601 E CB 1.191 30.779 29.700 -0.186 0.000 1.066 601 E HN 0.140 nan 8.360 nan 0.000 0.401 602 D N 2.360 122.774 120.400 0.024 0.000 2.123 602 D HA -0.204 4.433 4.640 -0.005 0.000 0.196 602 D C 1.768 178.172 176.300 0.174 0.000 0.992 602 D CA 1.183 55.282 54.000 0.166 0.000 0.833 602 D CB 0.009 40.917 40.800 0.180 0.000 0.954 602 D HN 0.417 nan 8.370 nan 0.000 0.455 603 R N -0.388 120.100 120.500 -0.020 0.000 2.096 603 R HA -0.177 4.159 4.340 -0.005 0.000 0.240 603 R C 2.091 178.223 176.300 -0.280 0.000 1.139 603 R CA 1.591 57.540 56.100 -0.252 0.000 0.952 603 R CB -0.398 29.532 30.300 -0.616 0.000 0.854 603 R HN 0.276 nan 8.270 nan 0.000 0.436 604 W N -0.759 120.574 121.300 0.055 0.000 2.658 604 W HA 0.018 4.675 4.660 -0.004 0.000 0.263 604 W C 1.874 178.523 176.519 0.216 0.000 1.274 604 W CA -0.323 57.067 57.345 0.075 0.000 1.343 604 W CB -0.274 29.156 29.460 -0.049 0.000 1.106 604 W HN 0.077 nan 8.180 nan 0.000 0.615 605 F N 1.254 121.367 119.950 0.272 0.000 2.102 605 F HA -0.096 4.428 4.527 -0.005 0.000 0.298 605 F C 2.301 178.365 175.800 0.441 0.000 1.105 605 F CA 2.368 60.545 58.000 0.294 0.000 1.239 605 F CB -0.833 38.296 39.000 0.216 0.000 0.991 605 F HN -0.137 nan 8.300 nan 0.000 0.474 606 G N -1.307 107.815 108.800 0.536 0.000 2.418 606 G HA2 -0.367 3.590 3.960 -0.005 0.000 0.217 606 G HA3 -0.367 3.590 3.960 -0.005 0.000 0.217 606 G C 1.580 176.624 174.900 0.240 0.000 1.158 606 G CA 0.890 46.272 45.100 0.469 0.000 0.771 606 G HN 0.529 nan 8.290 nan 0.000 0.545 607 Y N 1.355 121.685 120.300 0.050 0.000 2.181 607 Y HA -0.237 4.310 4.550 -0.006 0.000 0.284 607 Y C 2.883 178.795 175.900 0.020 0.000 1.179 607 Y CA 2.355 60.456 58.100 0.002 0.000 1.179 607 Y CB -0.072 38.436 38.460 0.080 0.000 0.973 607 Y HN 0.316 nan 8.280 nan 0.000 0.519 608 Q N -1.316 118.544 119.800 0.101 0.000 2.436 608 Q HA -0.097 4.240 4.340 -0.005 0.000 0.209 608 Q C 1.542 177.323 176.000 -0.365 0.000 0.965 608 Q CA 0.743 56.482 55.803 -0.107 0.000 0.910 608 Q CB -0.192 28.460 28.738 -0.142 0.000 0.980 608 Q HN 0.518 nan 8.270 nan 0.000 0.491 609 F N -0.268 119.487 119.950 -0.324 0.000 2.661 609 F HA -0.052 4.472 4.527 -0.005 0.000 0.298 609 F C 1.605 177.107 175.800 -0.496 0.000 1.137 609 F CA 0.783 58.531 58.000 -0.419 0.000 1.454 609 F CB 0.183 38.796 39.000 -0.645 0.000 1.103 609 F HN 0.033 nan 8.300 nan 0.000 0.577 610 L N -1.159 119.808 121.223 -0.427 0.000 2.362 610 L HA 0.093 4.430 4.340 -0.005 0.000 0.204 610 L C 1.178 177.902 176.870 -0.243 0.000 1.060 610 L CA 0.618 55.092 54.840 -0.609 0.000 0.827 610 L CB -0.166 41.417 42.059 -0.793 0.000 1.027 610 L HN -0.025 nan 8.230 nan 0.000 0.474 611 N N -0.163 118.358 118.700 -0.298 0.000 2.197 611 N HA 0.164 4.900 4.740 -0.005 0.000 0.228 611 N C 0.504 176.179 175.510 0.275 0.000 1.212 611 N CA 0.228 53.234 53.050 -0.073 0.000 0.883 611 N CB 1.546 39.841 38.487 -0.321 0.000 1.107 611 N HN 0.178 nan 8.380 nan 0.000 0.519 612 G N 0.105 108.957 108.800 0.088 0.000 2.695 612 G HA2 0.482 4.439 3.960 -0.005 0.000 0.213 612 G HA3 0.482 4.439 3.960 -0.005 0.000 0.213 612 G C 0.836 175.693 174.900 -0.071 0.000 1.406 612 G CA 0.229 45.405 45.100 0.127 0.000 1.049 612 G HN 0.079 nan 8.290 nan 0.000 0.573 613 A N -1.181 121.401 122.820 -0.397 0.000 2.119 613 A HA 0.112 4.429 4.320 -0.005 0.000 0.216 613 A C 1.418 178.651 177.584 -0.585 0.000 1.152 613 A CA 0.871 52.477 52.037 -0.719 0.000 0.708 613 A CB -0.248 17.895 19.000 -1.429 0.000 0.805 613 A HN 0.536 nan 8.150 nan 0.000 0.460 614 N N 0.119 118.540 118.700 -0.464 0.000 2.696 614 N HA 0.144 4.881 4.740 -0.005 0.000 0.308 614 N C -2.562 172.861 175.510 -0.144 0.000 1.915 614 N CA -1.046 51.902 53.050 -0.171 0.000 0.906 614 N CB 0.942 39.389 38.487 -0.067 0.000 1.284 614 N HN 0.124 nan 8.380 nan 0.000 0.488 615 P HA 0.047 nan 4.420 nan 0.000 0.258 615 P C 0.943 178.173 177.300 -0.116 0.000 1.559 615 P CA 0.265 63.222 63.100 -0.237 0.000 0.855 615 P CB -0.102 31.345 31.700 -0.422 0.000 1.594 616 V N -4.381 115.518 119.914 -0.023 0.000 3.556 616 V HA 0.269 4.386 4.120 -0.005 0.000 0.287 616 V C 1.570 177.716 176.094 0.087 0.000 1.422 616 V CA 0.164 62.515 62.300 0.085 0.000 1.038 616 V CB -0.300 31.608 31.823 0.141 0.000 0.850 616 V HN 0.061 nan 8.190 nan 0.000 0.437 617 I N -0.309 120.260 120.570 -0.002 0.000 3.790 617 I HA 0.373 4.540 4.170 -0.005 0.000 0.305 617 I C 0.894 176.947 176.117 -0.107 0.000 1.253 617 I CA -0.204 61.024 61.300 -0.120 0.000 1.355 617 I CB 0.951 38.673 38.000 -0.463 0.000 1.137 617 I HN 0.337 nan 8.210 nan 0.000 0.435 618 L N 2.485 123.660 121.223 -0.079 0.000 2.525 618 L HA 0.110 4.447 4.340 -0.005 0.000 0.278 618 L C 0.211 177.095 176.870 0.023 0.000 1.218 618 L CA 1.113 55.905 54.840 -0.081 0.000 0.878 618 L CB 0.424 42.356 42.059 -0.212 0.000 1.127 618 L HN 0.378 nan 8.230 nan 0.000 0.492 619 T N 2.828 117.434 114.554 0.087 0.000 2.906 619 T HA 0.449 4.796 4.350 -0.005 0.000 0.295 619 T C -0.176 174.632 174.700 0.180 0.000 1.075 619 T CA -1.081 61.099 62.100 0.132 0.000 1.005 619 T CB 1.090 69.994 68.868 0.060 0.000 1.136 619 T HN 0.728 nan 8.240 nan 0.000 0.498 620 R N 0.331 120.897 120.500 0.110 0.000 2.537 620 R HA 0.347 4.684 4.340 -0.005 0.000 0.280 620 R C -0.479 175.708 176.300 -0.188 0.000 1.058 620 R CA -0.446 55.489 56.100 -0.274 0.000 1.057 620 R CB -0.023 30.155 30.300 -0.204 0.000 0.973 620 R HN 0.800 nan 8.270 nan 0.000 0.438 621 C N 5.404 124.545 119.300 -0.265 0.000 2.239 621 C HA 0.267 4.724 4.460 -0.005 0.000 0.325 621 C C 0.363 175.284 174.990 -0.114 0.000 1.231 621 C CA -0.715 58.239 59.018 -0.108 0.000 1.652 621 C CB -0.145 27.570 27.740 -0.041 0.000 2.284 621 C HN 0.826 nan 8.230 nan 0.000 0.499 622 D N 3.185 123.542 120.400 -0.072 0.000 2.349 622 D HA 0.317 4.954 4.640 -0.005 0.000 0.214 622 D C 0.418 176.694 176.300 -0.040 0.000 1.063 622 D CA 0.715 54.677 54.000 -0.062 0.000 0.847 622 D CB 0.734 41.504 40.800 -0.050 0.000 0.933 622 D HN 0.782 nan 8.370 nan 0.000 0.513 623 A N 0.292 123.097 122.820 -0.025 0.000 2.582 623 A HA 0.349 4.666 4.320 -0.005 0.000 0.297 623 A C -1.151 176.436 177.584 0.005 0.000 1.059 623 A CA -0.686 51.343 52.037 -0.015 0.000 0.705 623 A CB 0.904 19.899 19.000 -0.009 0.000 1.279 623 A HN -0.056 nan 8.150 nan 0.000 0.404 624 L N 2.236 123.457 121.223 -0.003 0.000 2.490 624 L HA 0.253 4.590 4.340 -0.005 0.000 0.274 624 L C -1.815 175.090 176.870 0.060 0.000 1.201 624 L CA -0.575 54.278 54.840 0.021 0.000 0.869 624 L CB -0.237 41.786 42.059 -0.060 0.000 1.123 624 L HN 0.494 nan 8.230 nan 0.000 0.484 625 P HA 0.027 nan 4.420 nan 0.000 0.267 625 P C 0.805 178.169 177.300 0.107 0.000 1.200 625 P CA -0.080 63.092 63.100 0.120 0.000 0.772 625 P CB 0.545 32.343 31.700 0.165 0.000 0.855 626 S N 1.747 117.490 115.700 0.071 0.000 2.399 626 S HA -0.226 4.241 4.470 -0.005 0.000 0.231 626 S C 1.150 175.793 174.600 0.072 0.000 1.022 626 S CA 1.509 59.741 58.200 0.054 0.000 0.983 626 S CB -1.264 61.958 63.200 0.038 0.000 0.803 626 S HN 0.699 nan 8.310 nan 0.000 0.480 627 N N -0.574 118.185 118.700 0.098 0.000 2.370 627 N HA 0.120 4.857 4.740 -0.005 0.000 0.198 627 N C -0.202 175.427 175.510 0.199 0.000 1.156 627 N CA -0.274 52.840 53.050 0.107 0.000 0.839 627 N CB -0.048 38.484 38.487 0.075 0.000 0.989 627 N HN 0.380 nan 8.380 nan 0.000 0.468 628 F N 1.797 121.745 119.950 -0.002 0.000 2.660 628 F HA 0.462 4.986 4.527 -0.005 0.000 0.352 628 F C -2.762 173.023 175.800 -0.026 0.000 1.257 628 F CA -3.352 54.640 58.000 -0.012 0.000 1.200 628 F CB 1.378 40.380 39.000 0.003 0.000 1.473 628 F HN -0.016 nan 8.300 nan 0.000 0.561 629 P HA 0.111 nan 4.420 nan 0.000 0.218 629 P C -0.311 176.887 177.300 -0.170 0.000 1.793 629 P CA 0.221 63.273 63.100 -0.079 0.000 0.941 629 P CB 0.373 32.071 31.700 -0.002 0.000 1.919 630 V N 1.852 121.531 119.914 -0.392 0.000 2.555 630 V HA 0.200 4.317 4.120 -0.005 0.000 0.286 630 V C 1.311 177.378 176.094 -0.045 0.000 1.044 630 V CA 0.373 62.459 62.300 -0.357 0.000 1.026 630 V CB 0.811 32.262 31.823 -0.620 0.000 0.981 630 V HN 0.426 nan 8.190 nan 0.000 0.480 631 T N 0.695 115.404 114.554 0.258 0.000 2.940 631 T HA 0.305 4.652 4.350 -0.005 0.000 0.288 631 T C 0.894 175.573 174.700 -0.036 0.000 1.045 631 T CA -0.477 61.639 62.100 0.027 0.000 1.018 631 T CB 1.305 70.129 68.868 -0.073 0.000 1.151 631 T HN 0.435 nan 8.240 nan 0.000 0.529 632 N N 0.254 118.903 118.700 -0.085 0.000 2.137 632 N HA -0.172 4.564 4.740 -0.005 0.000 0.190 632 N C 1.939 177.372 175.510 -0.129 0.000 1.017 632 N CA 1.968 54.956 53.050 -0.104 0.000 0.859 632 N CB -0.306 38.121 38.487 -0.100 0.000 1.002 632 N HN 0.607 nan 8.380 nan 0.000 0.428 633 E N -0.802 119.294 120.200 -0.175 0.000 2.118 633 E HA -0.181 4.165 4.350 -0.005 0.000 0.195 633 E C 1.829 178.295 176.600 -0.224 0.000 0.992 633 E CA 1.351 57.617 56.400 -0.223 0.000 0.804 633 E CB -0.645 28.889 29.700 -0.276 0.000 0.741 633 E HN 0.642 nan 8.360 nan 0.000 0.458 634 H N -0.743 118.252 119.070 -0.125 0.000 2.389 634 H HA -0.012 4.541 4.556 -0.005 0.000 0.299 634 H C 2.264 177.520 175.328 -0.120 0.000 1.081 634 H CA 1.937 57.913 56.048 -0.120 0.000 1.345 634 H CB -0.047 29.636 29.762 -0.132 0.000 1.393 634 H HN 0.420 nan 8.280 nan 0.000 0.520 635 V N -1.890 118.015 119.914 -0.016 0.000 3.477 635 V HA 0.147 4.264 4.120 -0.005 0.000 0.297 635 V C 1.598 177.611 176.094 -0.136 0.000 1.433 635 V CA 0.431 62.691 62.300 -0.067 0.000 1.052 635 V CB 0.073 31.845 31.823 -0.085 0.000 0.895 635 V HN 0.061 nan 8.190 nan 0.000 0.438 636 N N 2.483 121.090 118.700 -0.155 0.000 2.137 636 N HA -0.138 4.599 4.740 -0.005 0.000 0.190 636 N C 1.800 177.191 175.510 -0.199 0.000 1.017 636 N CA 1.962 54.907 53.050 -0.175 0.000 0.859 636 N CB -0.268 38.125 38.487 -0.156 0.000 1.002 636 N HN 0.618 nan 8.380 nan 0.000 0.428 637 A N -1.028 121.626 122.820 -0.276 0.000 2.070 637 A HA -0.051 4.266 4.320 -0.005 0.000 0.220 637 A C 2.174 179.649 177.584 -0.181 0.000 1.159 637 A CA 1.631 53.444 52.037 -0.374 0.000 0.656 637 A CB -0.405 18.053 19.000 -0.903 0.000 0.800 637 A HN 0.346 nan 8.150 nan 0.000 0.453 638 S N -0.820 114.844 115.700 -0.059 0.000 2.486 638 S HA 0.266 4.733 4.470 -0.005 0.000 0.220 638 S C 0.601 175.161 174.600 -0.066 0.000 1.011 638 S CA -0.258 57.970 58.200 0.046 0.000 0.921 638 S CB -0.161 63.080 63.200 0.068 0.000 0.785 638 S HN 0.469 nan 8.310 nan 0.000 0.517 639 L N 2.817 123.888 121.223 -0.252 0.000 2.417 639 L HA 0.238 4.575 4.340 -0.005 0.000 0.268 639 L C 0.481 177.296 176.870 -0.092 0.000 1.158 639 L CA -0.118 54.448 54.840 -0.457 0.000 0.819 639 L CB 0.392 42.181 42.059 -0.451 0.000 1.112 639 L HN 0.228 nan 8.230 nan 0.000 0.458 640 D N -0.114 120.346 120.400 0.099 0.000 2.615 640 D HA 0.044 4.681 4.640 -0.005 0.000 0.274 640 D C 0.763 177.127 176.300 0.107 0.000 1.512 640 D CA -0.337 53.730 54.000 0.112 0.000 0.803 640 D CB 0.210 41.087 40.800 0.130 0.000 1.182 640 D HN 0.368 nan 8.370 nan 0.000 0.473 641 R N 0.134 120.713 120.500 0.131 0.000 2.472 641 R HA 0.470 4.807 4.340 -0.005 0.000 0.279 641 R C 1.038 177.373 176.300 0.058 0.000 0.953 641 R CA 0.373 56.529 56.100 0.094 0.000 1.088 641 R CB 0.902 31.281 30.300 0.132 0.000 1.197 641 R HN 0.183 nan 8.270 nan 0.000 0.536 642 G N 1.474 110.294 108.800 0.033 0.000 2.157 642 G HA2 -0.279 3.678 3.960 -0.005 0.000 0.248 642 G HA3 -0.279 3.678 3.960 -0.005 0.000 0.248 642 G C -0.108 174.795 174.900 0.005 0.000 0.979 642 G CA -0.038 45.069 45.100 0.012 0.000 0.650 642 G HN 0.232 nan 8.290 nan 0.000 0.529 643 K N -0.023 120.381 120.400 0.008 0.000 2.340 643 K HA 0.501 4.818 4.320 -0.005 0.000 0.244 643 K C -0.258 176.316 176.600 -0.043 0.000 0.973 643 K CA -1.105 55.181 56.287 -0.002 0.000 0.828 643 K CB 1.110 33.633 32.500 0.039 0.000 1.226 643 K HN 0.068 nan 8.250 nan 0.000 0.437 644 N N 1.004 119.675 118.700 -0.048 0.000 2.413 644 N HA 0.064 4.800 4.740 -0.005 0.000 0.266 644 N C 0.972 176.433 175.510 -0.081 0.000 1.238 644 N CA -0.377 52.628 53.050 -0.076 0.000 0.972 644 N CB 0.456 38.903 38.487 -0.066 0.000 1.210 644 N HN 0.426 nan 8.380 nan 0.000 0.547 645 L N 1.360 122.524 121.223 -0.099 0.000 2.012 645 L HA -0.208 4.129 4.340 -0.005 0.000 0.210 645 L C 1.824 178.658 176.870 -0.060 0.000 1.073 645 L CA 1.952 56.735 54.840 -0.095 0.000 0.748 645 L CB -0.832 41.167 42.059 -0.100 0.000 0.891 645 L HN 0.669 nan 8.230 nan 0.000 0.431 646 D N -0.908 119.459 120.400 -0.055 0.000 2.123 646 D HA -0.273 4.364 4.640 -0.005 0.000 0.196 646 D C 1.757 178.036 176.300 -0.034 0.000 0.992 646 D CA 1.981 55.955 54.000 -0.044 0.000 0.833 646 D CB -0.581 40.194 40.800 -0.042 0.000 0.954 646 D HN 0.608 nan 8.370 nan 0.000 0.455 647 E N 0.127 120.310 120.200 -0.027 0.000 2.107 647 E HA -0.103 4.243 4.350 -0.005 0.000 0.191 647 E C 2.125 178.726 176.600 0.001 0.000 0.982 647 E CA 0.715 57.107 56.400 -0.013 0.000 0.809 647 E CB 0.081 29.779 29.700 -0.003 0.000 0.756 647 E HN 0.268 nan 8.360 nan 0.000 0.459 648 E N 0.716 120.929 120.200 0.022 0.000 2.106 648 E HA -0.138 4.209 4.350 -0.005 0.000 0.192 648 E C 2.134 178.754 176.600 0.033 0.000 0.984 648 E CA 0.615 57.072 56.400 0.095 0.000 0.806 648 E CB -0.094 29.691 29.700 0.141 0.000 0.750 648 E HN 0.347 nan 8.360 nan 0.000 0.458 649 I N 1.083 121.647 120.570 -0.010 0.000 2.127 649 I HA -0.332 3.835 4.170 -0.005 0.000 0.241 649 I C 2.441 178.512 176.117 -0.078 0.000 1.075 649 I CA 1.444 62.714 61.300 -0.051 0.000 1.334 649 I CB -0.231 37.739 38.000 -0.050 0.000 1.040 649 I HN -0.032 nan 8.210 nan 0.000 0.405 650 K N -0.391 119.971 120.400 -0.062 0.000 2.147 650 K HA -0.180 4.137 4.320 -0.005 0.000 0.205 650 K C 1.472 178.012 176.600 -0.100 0.000 1.049 650 K CA 1.377 57.623 56.287 -0.067 0.000 0.936 650 K CB -0.673 31.799 32.500 -0.046 0.000 0.722 650 K HN 0.422 nan 8.250 nan 0.000 0.446 651 D N -0.972 119.349 120.400 -0.132 0.000 2.363 651 D HA 0.102 4.738 4.640 -0.005 0.000 0.220 651 D C 1.103 177.143 176.300 -0.434 0.000 0.994 651 D CA 0.985 54.829 54.000 -0.260 0.000 0.890 651 D CB 0.162 40.799 40.800 -0.271 0.000 0.906 651 D HN 0.461 nan 8.370 nan 0.000 0.530 652 G N 0.430 109.060 108.800 -0.284 0.000 2.149 652 G HA2 -0.300 3.656 3.960 -0.005 0.000 0.235 652 G HA3 -0.300 3.656 3.960 -0.005 0.000 0.235 652 G C 0.437 175.273 174.900 -0.105 0.000 1.018 652 G CA 0.132 45.102 45.100 -0.217 0.000 0.728 652 G HN 0.528 nan 8.290 nan 0.000 0.508 653 H N -1.070 118.050 119.070 0.083 0.000 2.672 653 H HA 0.370 4.923 4.556 -0.005 0.000 0.277 653 H C 0.703 176.194 175.328 0.271 0.000 1.074 653 H CA -0.608 55.584 56.048 0.240 0.000 1.173 653 H CB 0.835 30.727 29.762 0.217 0.000 1.558 653 H HN 0.308 nan 8.280 nan 0.000 0.539 654 I N 1.483 122.086 120.570 0.055 0.000 2.378 654 I HA 0.197 4.364 4.170 -0.005 0.000 0.291 654 I C -0.702 175.203 176.117 -0.352 0.000 0.992 654 I CA -0.610 60.720 61.300 0.050 0.000 1.154 654 I CB 0.647 38.675 38.000 0.048 0.000 1.315 654 I HN 0.102 nan 8.210 nan 0.000 0.448 655 Y N 5.838 126.252 120.300 0.189 0.000 2.570 655 Y HA 0.697 5.244 4.550 -0.005 0.000 0.345 655 Y C -0.083 175.969 175.900 0.254 0.000 1.014 655 Y CA -0.833 57.356 58.100 0.147 0.000 1.063 655 Y CB 2.806 41.292 38.460 0.043 0.000 1.272 655 Y HN 0.429 nan 8.280 nan 0.000 0.477 656 I N 1.803 122.554 120.570 0.301 0.000 2.913 656 I HA 0.692 4.859 4.170 -0.005 0.000 0.302 656 I C -1.681 174.531 176.117 0.158 0.000 1.246 656 I CA -1.096 60.378 61.300 0.289 0.000 1.010 656 I CB 1.904 40.029 38.000 0.209 0.000 1.259 656 I HN 0.472 nan 8.210 nan 0.000 0.434 657 V N 2.130 122.132 119.914 0.146 0.000 2.680 657 V HA 0.742 4.858 4.120 -0.005 0.000 0.309 657 V C -1.367 174.657 176.094 -0.118 0.000 1.052 657 V CA -0.311 61.953 62.300 -0.061 0.000 0.908 657 V CB 1.715 33.508 31.823 -0.050 0.000 1.001 657 V HN 0.746 nan 8.190 nan 0.000 0.431 658 D N 2.798 123.034 120.400 -0.273 0.000 2.476 658 D HA 0.428 5.065 4.640 -0.005 0.000 0.251 658 D C -0.641 175.507 176.300 -0.254 0.000 1.291 658 D CA -0.500 53.398 54.000 -0.170 0.000 0.939 658 D CB 1.368 42.117 40.800 -0.085 0.000 1.221 658 D HN 0.494 nan 8.370 nan 0.000 0.567 659 F N 2.665 122.608 119.950 -0.013 0.000 2.701 659 F HA 0.220 4.744 4.527 -0.006 0.000 0.295 659 F C 2.227 178.101 175.800 0.123 0.000 1.165 659 F CA -0.282 57.746 58.000 0.047 0.000 1.399 659 F CB 0.323 39.356 39.000 0.056 0.000 0.996 659 F HN 0.322 nan 8.300 nan 0.000 0.513 660 K N 0.240 120.754 120.400 0.190 0.000 2.173 660 K HA -0.226 4.091 4.320 -0.005 0.000 0.207 660 K C 2.218 178.947 176.600 0.216 0.000 1.046 660 K CA 1.394 57.776 56.287 0.159 0.000 0.929 660 K CB -0.299 32.258 32.500 0.094 0.000 0.720 660 K HN 0.308 nan 8.250 nan 0.000 0.453 661 V N 1.253 121.346 119.914 0.298 0.000 2.688 661 V HA -0.184 3.933 4.120 -0.005 0.000 0.256 661 V C 1.784 178.161 176.094 0.472 0.000 1.084 661 V CA 1.437 63.945 62.300 0.348 0.000 1.103 661 V CB -0.184 31.865 31.823 0.376 0.000 0.688 661 V HN 0.341 nan 8.190 nan 0.000 0.480 662 L N -0.401 121.094 121.223 0.453 0.000 2.478 662 L HA 0.081 4.418 4.340 -0.005 0.000 0.223 662 L C 0.876 177.865 176.870 0.198 0.000 1.140 662 L CA -0.087 54.949 54.840 0.326 0.000 0.842 662 L CB -0.015 42.171 42.059 0.211 0.000 0.953 662 L HN 0.100 nan 8.230 nan 0.000 0.452 663 V N 0.926 120.941 119.914 0.169 0.000 2.694 663 V HA 0.096 4.213 4.120 -0.005 0.000 0.306 663 V C 1.412 177.568 176.094 0.103 0.000 1.054 663 V CA 1.279 63.633 62.300 0.092 0.000 1.161 663 V CB 0.322 32.187 31.823 0.069 0.000 0.916 663 V HN 0.632 nan 8.190 nan 0.000 0.490 664 G N 3.392 112.230 108.800 0.064 0.000 2.195 664 G HA2 -0.118 3.839 3.960 -0.005 0.000 0.246 664 G HA3 -0.118 3.839 3.960 -0.005 0.000 0.246 664 G C 0.433 175.395 174.900 0.103 0.000 0.984 664 G CA 0.139 45.284 45.100 0.075 0.000 0.633 664 G HN 1.623 nan 8.290 nan 0.000 0.525 665 A N 0.387 123.278 122.820 0.117 0.000 2.488 665 A HA 0.535 4.852 4.320 -0.005 0.000 0.249 665 A C 0.599 178.254 177.584 0.118 0.000 1.083 665 A CA 0.966 53.075 52.037 0.121 0.000 0.768 665 A CB 0.325 19.353 19.000 0.047 0.000 1.017 665 A HN 0.597 nan 8.150 nan 0.000 0.496 666 K N 2.555 123.020 120.400 0.110 0.000 2.248 666 K HA 0.376 4.692 4.320 -0.005 0.000 0.281 666 K C -0.069 176.581 176.600 0.083 0.000 1.054 666 K CA -0.154 56.190 56.287 0.095 0.000 0.903 666 K CB 0.501 33.043 32.500 0.071 0.000 1.077 666 K HN 0.811 nan 8.250 nan 0.000 0.474 667 S N 2.996 118.736 115.700 0.067 0.000 2.690 667 S HA 0.199 4.666 4.470 -0.005 0.000 0.291 667 S C -0.425 174.181 174.600 0.010 0.000 1.138 667 S CA -0.874 57.349 58.200 0.039 0.000 1.013 667 S CB 0.570 63.775 63.200 0.008 0.000 1.053 667 S HN 0.571 nan 8.310 nan 0.000 0.539 668 Y N 1.355 121.599 120.300 -0.094 0.000 2.805 668 Y HA 0.318 4.865 4.550 -0.005 0.000 0.331 668 Y C 1.568 177.385 175.900 -0.138 0.000 1.241 668 Y CA 1.885 59.927 58.100 -0.098 0.000 1.546 668 Y CB -0.274 38.122 38.460 -0.107 0.000 1.248 668 Y HN 1.260 nan 8.280 nan 0.000 0.559 669 G N 2.561 111.165 108.800 -0.327 0.000 2.175 669 G HA2 -0.111 3.846 3.960 -0.005 0.000 0.244 669 G HA3 -0.111 3.846 3.960 -0.005 0.000 0.244 669 G C 0.903 175.708 174.900 -0.158 0.000 0.982 669 G CA 0.492 45.472 45.100 -0.200 0.000 0.641 669 G HN 2.021 nan 8.290 nan 0.000 0.527 670 G N -1.259 107.454 108.800 -0.144 0.000 2.278 670 G HA2 -0.056 3.901 3.960 -0.005 0.000 0.210 670 G HA3 -0.056 3.901 3.960 -0.005 0.000 0.210 670 G C -1.143 173.736 174.900 -0.035 0.000 1.000 670 G CA 0.353 45.404 45.100 -0.082 0.000 0.635 670 G HN 1.079 nan 8.290 nan 0.000 0.495 671 P HA 0.448 nan 4.420 nan 0.000 0.265 671 P C -0.183 177.244 177.300 0.213 0.000 1.187 671 P CA 0.183 63.299 63.100 0.026 0.000 0.766 671 P CB 1.350 32.853 31.700 -0.328 0.000 0.820 672 V N 4.580 124.685 119.914 0.317 0.000 2.444 672 V HA 0.184 4.301 4.120 -0.005 0.000 0.294 672 V C 0.086 176.278 176.094 0.164 0.000 1.022 672 V CA -0.902 61.535 62.300 0.227 0.000 0.850 672 V CB 1.604 33.501 31.823 0.122 0.000 0.992 672 V HN 0.386 nan 8.190 nan 0.000 0.426 673 L N 5.774 127.020 121.223 0.039 0.000 2.462 673 L HA 0.331 4.668 4.340 -0.005 0.000 0.272 673 L C 0.359 177.114 176.870 -0.192 0.000 1.166 673 L CA 0.871 55.526 54.840 -0.310 0.000 0.880 673 L CB 0.147 42.117 42.059 -0.150 0.000 1.142 673 L HN 0.718 nan 8.230 nan 0.000 0.473 674 E N 2.256 122.293 120.200 -0.272 0.000 2.281 674 E HA 0.184 4.531 4.350 -0.005 0.000 0.257 674 E C 0.252 176.783 176.600 -0.115 0.000 0.971 674 E CA -0.273 56.050 56.400 -0.129 0.000 0.839 674 E CB 0.851 30.497 29.700 -0.089 0.000 1.238 674 E HN 0.696 nan 8.360 nan 0.000 0.412 675 D N 0.853 121.220 120.400 -0.054 0.000 2.182 675 D HA -0.194 4.443 4.640 -0.005 0.000 0.201 675 D C 1.578 177.850 176.300 -0.046 0.000 0.986 675 D CA 1.356 55.336 54.000 -0.034 0.000 0.847 675 D CB -0.378 40.417 40.800 -0.009 0.000 0.942 675 D HN 0.442 nan 8.370 nan 0.000 0.467 676 I N -3.817 116.720 120.570 -0.056 0.000 3.684 676 I HA 0.503 4.670 4.170 -0.005 0.000 0.304 676 I C 1.443 177.510 176.117 -0.083 0.000 1.278 676 I CA 0.219 61.490 61.300 -0.047 0.000 1.272 676 I CB 0.383 38.370 38.000 -0.021 0.000 1.029 676 I HN 0.259 nan 8.210 nan 0.000 0.458 677 G N 0.438 109.136 108.800 -0.170 0.000 2.936 677 G HA2 -0.204 3.753 3.960 -0.005 0.000 0.237 677 G HA3 -0.204 3.753 3.960 -0.005 0.000 0.237 677 G C -0.634 173.981 174.900 -0.475 0.000 1.403 677 G CA -0.130 44.793 45.100 -0.294 0.000 1.011 677 G HN 0.312 nan 8.290 nan 0.000 0.568 678 Y N 2.220 122.530 120.300 0.017 0.000 2.425 678 Y HA 0.662 5.209 4.550 -0.005 0.000 0.344 678 Y C 0.890 176.822 175.900 0.053 0.000 0.969 678 Y CA 0.064 58.206 58.100 0.069 0.000 1.052 678 Y CB 1.604 40.147 38.460 0.139 0.000 1.215 678 Y HN 0.963 nan 8.280 nan 0.000 0.451 689 A N 1.286 124.112 122.820 0.011 0.000 2.483 689 A HA 0.427 4.744 4.320 -0.005 0.000 0.238 689 A C 0.217 177.807 177.584 0.010 0.000 1.070 689 A CA 0.653 52.698 52.037 0.014 0.000 0.770 689 A CB 0.192 19.201 19.000 0.016 0.000 1.008 689 A HN 0.268 nan 8.150 nan 0.000 0.497 690 D N 1.876 122.299 120.400 0.038 0.000 2.416 690 D HA 0.290 4.927 4.640 -0.005 0.000 0.240 690 D C -0.563 175.797 176.300 0.100 0.000 1.250 690 D CA 0.415 54.441 54.000 0.044 0.000 0.967 690 D CB -0.472 40.373 40.800 0.076 0.000 1.059 690 D HN 0.349 nan 8.370 nan 0.000 0.512 691 I N 4.137 124.701 120.570 -0.011 0.000 2.418 691 I HA 0.375 4.542 4.170 -0.005 0.000 0.287 691 I C 0.504 176.477 176.117 -0.241 0.000 1.008 691 I CA -0.801 60.432 61.300 -0.112 0.000 1.104 691 I CB 1.492 39.422 38.000 -0.117 0.000 1.264 691 I HN -0.006 nan 8.210 nan 0.000 0.438 692 R N 4.977 125.273 120.500 -0.339 0.000 2.832 692 R HA 0.723 5.060 4.340 -0.005 0.000 0.271 692 R C -1.648 174.319 176.300 -0.556 0.000 0.996 692 R CA -0.951 54.978 56.100 -0.286 0.000 0.977 692 R CB 2.292 32.525 30.300 -0.112 0.000 1.168 692 R HN 0.380 nan 8.270 nan 0.000 0.482 693 Y N -0.790 119.505 120.300 -0.008 0.000 2.545 693 Y HA 0.511 5.058 4.550 -0.005 0.000 0.348 693 Y C -0.042 176.015 175.900 0.262 0.000 1.002 693 Y CA -0.620 57.533 58.100 0.088 0.000 1.039 693 Y CB 2.096 40.643 38.460 0.146 0.000 1.271 693 Y HN 0.538 nan 8.280 nan 0.000 0.467 694 C N 0.831 120.500 119.300 0.615 0.000 3.277 694 C HA 1.000 5.456 4.460 -0.005 0.000 0.367 694 C C -0.907 174.432 174.990 0.582 0.000 1.949 694 C CA -0.079 59.223 59.018 0.475 0.000 1.428 694 C CB 1.254 29.130 27.740 0.225 0.000 2.409 694 C HN 1.014 nan 8.230 nan 0.000 0.460 695 A N -0.267 122.758 122.820 0.343 0.000 2.610 695 A HA 0.832 5.149 4.320 -0.005 0.000 0.291 695 A C -1.217 176.442 177.584 0.125 0.000 1.086 695 A CA 0.278 52.446 52.037 0.217 0.000 0.677 695 A CB 0.728 19.899 19.000 0.284 0.000 1.278 695 A HN 1.963 nan 8.150 nan 0.000 0.414 696 A N 1.724 124.598 122.820 0.091 0.000 3.064 696 A HA 0.709 5.026 4.320 -0.005 0.000 0.339 696 A C -2.800 174.865 177.584 0.136 0.000 1.078 696 A CA -1.384 50.740 52.037 0.146 0.000 0.869 696 A CB -0.214 18.860 19.000 0.123 0.000 1.067 696 A HN 0.439 nan 8.150 nan 0.000 0.480 697 P HA 0.558 nan 4.420 nan 0.000 0.276 697 P C -0.690 176.654 177.300 0.072 0.000 1.261 697 P CA -0.334 62.830 63.100 0.106 0.000 0.800 697 P CB 1.052 32.834 31.700 0.136 0.000 1.066 698 L N 0.320 121.421 121.223 -0.203 0.000 2.346 698 L HA 0.801 5.137 4.340 -0.005 0.000 0.274 698 L C 0.071 176.669 176.870 -0.454 0.000 1.007 698 L CA -0.537 54.015 54.840 -0.480 0.000 0.818 698 L CB 1.737 43.114 42.059 -1.137 0.000 1.284 698 L HN 0.391 nan 8.230 nan 0.000 0.424 699 A N 2.437 125.172 122.820 -0.142 0.000 2.486 699 A HA 0.838 5.154 4.320 -0.005 0.000 0.300 699 A C -1.751 175.903 177.584 0.117 0.000 1.048 699 A CA -0.438 51.616 52.037 0.028 0.000 0.696 699 A CB 1.578 20.582 19.000 0.006 0.000 1.278 699 A HN 0.525 nan 8.150 nan 0.000 0.405 700 L N 1.530 122.804 121.223 0.085 0.000 2.334 700 L HA 0.918 5.255 4.340 -0.005 0.000 0.276 700 L C -1.430 175.297 176.870 -0.237 0.000 1.014 700 L CA -0.289 54.618 54.840 0.112 0.000 0.815 700 L CB 1.137 43.283 42.059 0.146 0.000 1.268 700 L HN 0.619 nan 8.230 nan 0.000 0.428 701 F N 3.377 123.439 119.950 0.187 0.000 2.588 701 F HA 0.494 5.018 4.527 -0.005 0.000 0.314 701 F C -1.195 174.785 175.800 0.299 0.000 1.069 701 F CA -0.602 57.518 58.000 0.200 0.000 0.931 701 F CB 1.763 40.828 39.000 0.109 0.000 1.260 701 F HN 0.354 nan 8.300 nan 0.000 0.465 702 Y N 1.408 121.900 120.300 0.320 0.000 2.386 702 Y HA 0.678 5.225 4.550 -0.005 0.000 0.334 702 Y C -1.530 174.488 175.900 0.197 0.000 1.002 702 Y CA -1.554 56.689 58.100 0.238 0.000 1.068 702 Y CB 1.379 39.921 38.460 0.136 0.000 1.203 702 Y HN 0.354 nan 8.280 nan 0.000 0.443 703 V N 7.698 127.448 119.914 -0.272 0.000 2.415 703 V HA 0.117 4.234 4.120 -0.005 0.000 0.267 703 V C 0.143 175.579 176.094 -1.096 0.000 1.042 703 V CA -0.419 61.599 62.300 -0.472 0.000 1.000 703 V CB -0.612 31.092 31.823 -0.198 0.000 1.015 703 V HN 0.833 nan 8.190 nan 0.000 0.478 704 N N 5.403 123.595 118.700 -0.847 0.000 2.364 704 N HA 0.138 4.875 4.740 -0.005 0.000 0.264 704 N C 1.066 176.305 175.510 -0.452 0.000 1.263 704 N CA -0.554 52.059 53.050 -0.729 0.000 0.959 704 N CB 0.401 38.727 38.487 -0.270 0.000 1.204 704 N HN 0.588 nan 8.380 nan 0.000 0.550 705 K N -0.605 119.643 120.400 -0.252 0.000 2.280 705 K HA -0.041 4.276 4.320 -0.005 0.000 0.202 705 K C 1.175 177.634 176.600 -0.236 0.000 1.047 705 K CA 1.193 57.360 56.287 -0.200 0.000 0.942 705 K CB -0.404 32.042 32.500 -0.090 0.000 0.739 705 K HN 0.473 nan 8.250 nan 0.000 0.457 706 L N 0.431 121.448 121.223 -0.342 0.000 2.591 706 L HA 0.175 4.512 4.340 -0.005 0.000 0.228 706 L C 0.983 177.563 176.870 -0.483 0.000 1.133 706 L CA 0.475 55.042 54.840 -0.455 0.000 0.880 706 L CB -0.107 41.535 42.059 -0.696 0.000 1.033 706 L HN 0.667 nan 8.230 nan 0.000 0.450 707 G N -0.274 108.296 108.800 -0.383 0.000 2.141 707 G HA2 -0.261 3.695 3.960 -0.005 0.000 0.242 707 G HA3 -0.261 3.695 3.960 -0.005 0.000 0.242 707 G C 0.040 174.870 174.900 -0.118 0.000 0.982 707 G CA -0.214 44.751 45.100 -0.225 0.000 0.662 707 G HN 0.552 nan 8.290 nan 0.000 0.527 708 H N -0.930 118.038 119.070 -0.170 0.000 2.548 708 H HA 0.488 5.040 4.556 -0.005 0.000 0.331 708 H C 0.118 175.352 175.328 -0.156 0.000 1.093 708 H CA -0.919 55.031 56.048 -0.163 0.000 1.367 708 H CB 1.809 31.466 29.762 -0.175 0.000 1.455 708 H HN 0.167 nan 8.280 nan 0.000 0.519 709 L N 4.468 125.700 121.223 0.016 0.000 2.283 709 L HA 0.178 4.514 4.340 -0.005 0.000 0.287 709 L C -0.899 176.079 176.870 0.180 0.000 1.073 709 L CA -0.085 54.767 54.840 0.020 0.000 0.822 709 L CB 0.181 42.177 42.059 -0.106 0.000 1.186 709 L HN 0.586 nan 8.230 nan 0.000 0.436 710 M N 7.626 127.375 119.600 0.247 0.000 2.336 710 M HA 0.471 4.948 4.480 -0.005 0.000 0.342 710 M C -2.424 174.110 176.300 0.390 0.000 1.128 710 M CA -2.442 53.041 55.300 0.305 0.000 1.016 710 M CB 1.403 34.147 32.600 0.241 0.000 1.665 710 M HN 0.328 nan 8.290 nan 0.000 0.445 711 P HA 0.223 nan 4.420 nan 0.000 0.276 711 P C 0.209 177.570 177.300 0.101 0.000 1.243 711 P CA 0.018 63.165 63.100 0.078 0.000 0.768 711 P CB 0.417 32.347 31.700 0.383 0.000 0.856 712 I N 0.357 120.909 120.570 -0.029 0.000 4.456 712 I HA 0.601 4.768 4.170 -0.005 0.000 0.329 712 I C 0.243 176.322 176.117 -0.064 0.000 1.313 712 I CA -0.338 60.934 61.300 -0.047 0.000 1.205 712 I CB 0.701 38.705 38.000 0.007 0.000 1.179 712 I HN 0.180 nan 8.210 nan 0.000 0.419 713 A N 1.494 124.344 122.820 0.051 0.000 2.566 713 A HA 0.831 5.148 4.320 -0.005 0.000 0.297 713 A C -1.372 176.435 177.584 0.371 0.000 1.059 713 A CA -0.354 51.786 52.037 0.171 0.000 0.691 713 A CB 1.449 20.455 19.000 0.010 0.000 1.282 713 A HN 0.228 nan 8.150 nan 0.000 0.401 714 I N 1.068 121.934 120.570 0.493 0.000 2.569 714 I HA 0.433 4.600 4.170 -0.005 0.000 0.290 714 I C -0.405 175.999 176.117 0.479 0.000 1.088 714 I CA -0.329 61.221 61.300 0.417 0.000 1.047 714 I CB 2.371 40.559 38.000 0.313 0.000 1.237 714 I HN 0.796 nan 8.210 nan 0.000 0.421 715 Q N 5.427 125.396 119.800 0.281 0.000 2.333 715 Q HA 0.485 4.822 4.340 -0.005 0.000 0.268 715 Q C 0.027 176.107 176.000 0.133 0.000 1.007 715 Q CA -0.503 55.444 55.803 0.241 0.000 0.810 715 Q CB 1.965 30.801 28.738 0.165 0.000 1.264 715 Q HN 0.730 nan 8.270 nan 0.000 0.452 716 I N 2.274 122.962 120.570 0.196 0.000 2.439 716 I HA -0.093 4.074 4.170 -0.005 0.000 0.251 716 I C 0.711 176.835 176.117 0.011 0.000 1.139 716 I CA 0.668 62.014 61.300 0.077 0.000 1.438 716 I CB 0.037 37.996 38.000 -0.068 0.000 1.085 716 I HN 0.551 nan 8.210 nan 0.000 0.427 717 N N -0.763 117.938 118.700 0.001 0.000 2.701 717 N HA 0.215 4.952 4.740 -0.005 0.000 0.290 717 N C 0.347 175.850 175.510 -0.012 0.000 1.338 717 N CA -0.526 52.511 53.050 -0.021 0.000 0.799 717 N CB 1.175 39.622 38.487 -0.067 0.000 1.491 717 N HN -0.092 nan 8.380 nan 0.000 0.540 718 Q N 0.319 120.112 119.800 -0.011 0.000 2.137 718 Q HA -0.042 4.295 4.340 -0.005 0.000 0.198 718 Q C -0.173 175.834 176.000 0.012 0.000 0.960 718 Q CA 1.152 56.955 55.803 -0.001 0.000 0.847 718 Q CB 0.008 28.753 28.738 0.012 0.000 0.915 718 Q HN 0.497 nan 8.270 nan 0.000 0.448 719 E N 2.236 122.441 120.200 0.008 0.000 2.081 719 E HA 0.184 4.531 4.350 -0.005 0.000 0.276 719 E C -2.449 174.163 176.600 0.020 0.000 0.950 719 E CA -2.696 53.714 56.400 0.015 0.000 0.776 719 E CB 1.129 30.833 29.700 0.006 0.000 1.094 719 E HN -0.066 nan 8.360 nan 0.000 0.402 720 P HA 0.439 nan 4.420 nan 0.000 0.274 720 P C -0.167 177.140 177.300 0.012 0.000 1.231 720 P CA -0.196 62.923 63.100 0.033 0.000 0.790 720 P CB 1.541 33.273 31.700 0.053 0.000 0.951 721 G N 1.534 110.331 108.800 -0.005 0.000 2.315 721 G HA2 0.214 4.170 3.960 -0.005 0.000 0.294 721 G HA3 0.214 4.170 3.960 -0.005 0.000 0.294 721 G C -2.741 172.138 174.900 -0.034 0.000 1.300 721 G CA -0.722 44.370 45.100 -0.013 0.000 0.843 721 G HN 0.075 nan 8.290 nan 0.000 0.527 722 P HA -0.004 nan 4.420 nan 0.000 0.217 722 P C 1.173 178.449 177.300 -0.039 0.000 1.148 722 P CA 1.384 64.458 63.100 -0.044 0.000 0.828 722 P CB 0.214 31.900 31.700 -0.024 0.000 0.783 723 E N -1.917 118.276 120.200 -0.013 0.000 2.489 723 E HA 0.016 4.362 4.350 -0.005 0.000 0.193 723 E C 0.353 176.968 176.600 0.024 0.000 1.057 723 E CA 0.084 56.492 56.400 0.012 0.000 0.866 723 E CB -0.253 29.458 29.700 0.019 0.000 0.916 723 E HN 0.120 nan 8.360 nan 0.000 0.500 724 N N 0.835 119.535 118.700 -0.001 0.000 2.700 724 N HA 0.100 4.836 4.740 -0.005 0.000 0.242 724 N C -2.885 172.603 175.510 -0.036 0.000 1.541 724 N CA -1.613 51.453 53.050 0.026 0.000 0.764 724 N CB 0.845 39.343 38.487 0.019 0.000 1.319 724 N HN -0.152 nan 8.380 nan 0.000 0.518 725 P HA 0.386 nan 4.420 nan 0.000 0.297 725 P C -0.278 176.761 177.300 -0.435 0.000 1.307 725 P CA -0.535 62.355 63.100 -0.351 0.000 0.773 725 P CB 1.675 33.036 31.700 -0.565 0.000 1.265 726 I N -0.036 120.293 120.570 -0.402 0.000 2.325 726 I HA 0.185 4.352 4.170 -0.005 0.000 0.291 726 I C -0.148 175.764 176.117 -0.341 0.000 1.019 726 I CA -0.285 60.839 61.300 -0.293 0.000 1.302 726 I CB 0.184 37.909 38.000 -0.458 0.000 1.401 726 I HN 0.228 nan 8.210 nan 0.000 0.485 727 W N 5.197 126.571 121.300 0.123 0.000 2.496 727 W HA 0.611 5.268 4.660 -0.005 0.000 0.327 727 W C 0.385 177.014 176.519 0.182 0.000 1.086 727 W CA -0.448 57.018 57.345 0.202 0.000 1.222 727 W CB 1.525 31.177 29.460 0.319 0.000 1.304 727 W HN 0.405 nan 8.180 nan 0.000 0.547 728 T N -1.188 113.465 114.554 0.166 0.000 2.887 728 T HA 0.412 4.759 4.350 -0.005 0.000 0.292 728 T C -2.314 171.645 174.700 -1.234 0.000 1.087 728 T CA -2.335 59.487 62.100 -0.463 0.000 1.009 728 T CB 2.066 70.812 68.868 -0.203 0.000 1.203 728 T HN 0.028 nan 8.240 nan 0.000 0.518 729 P HA -0.031 nan 4.420 nan 0.000 0.223 729 P C 0.474 177.084 177.300 -1.151 0.000 1.144 729 P CA 1.212 63.086 63.100 -2.043 0.000 0.783 729 P CB -0.289 30.574 31.700 -1.395 0.000 0.771 730 H N -1.569 117.233 119.070 -0.447 0.000 2.524 730 H HA 0.129 4.682 4.556 -0.005 0.000 0.280 730 H C 0.452 175.717 175.328 -0.104 0.000 1.018 730 H CA -0.301 55.619 56.048 -0.214 0.000 1.165 730 H CB -0.433 29.228 29.762 -0.169 0.000 1.411 730 H HN 0.028 nan 8.280 nan 0.000 0.569 731 E N 1.150 121.334 120.200 -0.026 0.000 2.568 731 E HA -0.102 4.245 4.350 -0.005 0.000 0.262 731 E C 1.428 178.080 176.600 0.087 0.000 0.961 731 E CA 0.802 57.265 56.400 0.105 0.000 0.945 731 E CB 0.522 30.360 29.700 0.230 0.000 0.924 731 E HN 0.756 nan 8.360 nan 0.000 0.467 732 E N 3.550 123.808 120.200 0.096 0.000 2.118 732 E HA -0.225 4.122 4.350 -0.005 0.000 0.195 732 E C 0.896 177.549 176.600 0.089 0.000 0.992 732 E CA 1.563 58.010 56.400 0.078 0.000 0.804 732 E CB -0.209 29.534 29.700 0.072 0.000 0.741 732 E HN 0.379 nan 8.360 nan 0.000 0.458 733 N N 0.606 119.384 118.700 0.131 0.000 2.462 733 N HA 0.082 4.819 4.740 -0.005 0.000 0.242 733 N C 0.800 176.381 175.510 0.117 0.000 1.010 733 N CA 0.302 53.437 53.050 0.142 0.000 0.939 733 N CB 1.167 39.775 38.487 0.201 0.000 1.127 733 N HN 0.530 nan 8.380 nan 0.000 0.509 734 E N 2.709 122.908 120.200 -0.002 0.000 2.160 734 E HA -0.254 4.092 4.350 -0.005 0.000 0.195 734 E C 0.396 176.972 176.600 -0.040 0.000 0.991 734 E CA 1.207 57.578 56.400 -0.048 0.000 0.810 734 E CB -0.323 29.285 29.700 -0.153 0.000 0.742 734 E HN 0.605 nan 8.360 nan 0.000 0.466 735 H N 1.068 120.223 119.070 0.143 0.000 2.421 735 H HA -0.069 4.484 4.556 -0.005 0.000 0.298 735 H C 1.371 176.751 175.328 0.087 0.000 1.087 735 H CA 1.484 57.611 56.048 0.132 0.000 1.330 735 H CB -0.105 29.738 29.762 0.135 0.000 1.388 735 H HN 0.311 nan 8.280 nan 0.000 0.526 736 D N 0.267 120.786 120.400 0.198 0.000 2.144 736 D HA -0.170 4.467 4.640 -0.005 0.000 0.199 736 D C 2.127 178.431 176.300 0.006 0.000 0.984 736 D CA 0.511 54.557 54.000 0.077 0.000 0.834 736 D CB -0.481 40.499 40.800 0.301 0.000 0.955 736 D HN 0.511 nan 8.370 nan 0.000 0.465 737 W N 0.680 121.947 121.300 -0.054 0.000 2.379 737 W HA -0.194 4.463 4.660 -0.005 0.000 0.307 737 W C 2.028 178.400 176.519 -0.246 0.000 1.200 737 W CA 0.498 57.775 57.345 -0.114 0.000 1.297 737 W CB -0.198 29.202 29.460 -0.099 0.000 1.140 737 W HN -0.075 nan 8.180 nan 0.000 0.507 738 M N 1.149 120.558 119.600 -0.319 0.000 2.106 738 M HA -0.276 4.201 4.480 -0.005 0.000 0.259 738 M C 2.288 178.174 176.300 -0.691 0.000 1.068 738 M CA 2.249 57.183 55.300 -0.609 0.000 1.100 738 M CB -0.942 31.508 32.600 -0.251 0.000 1.351 738 M HN 0.059 nan 8.290 nan 0.000 0.404 739 M N -0.149 119.294 119.600 -0.262 0.000 2.117 739 M HA -0.022 4.455 4.480 -0.005 0.000 0.262 739 M C 2.029 178.249 176.300 -0.133 0.000 1.065 739 M CA 2.064 57.328 55.300 -0.061 0.000 1.114 739 M CB -0.867 31.759 32.600 0.043 0.000 1.361 739 M HN 0.333 nan 8.290 nan 0.000 0.408 740 A N -0.087 122.503 122.820 -0.383 0.000 1.908 740 A HA -0.235 4.082 4.320 -0.005 0.000 0.218 740 A C 2.207 179.584 177.584 -0.344 0.000 1.181 740 A CA 2.121 53.927 52.037 -0.385 0.000 0.627 740 A CB -0.736 17.985 19.000 -0.466 0.000 0.818 740 A HN 0.591 nan 8.150 nan 0.000 0.445 741 K N -1.259 118.690 120.400 -0.751 0.000 2.057 741 K HA -0.102 4.215 4.320 -0.005 0.000 0.207 741 K C 1.718 178.163 176.600 -0.259 0.000 1.049 741 K CA 1.630 57.438 56.287 -0.799 0.000 0.931 741 K CB -0.377 31.225 32.500 -1.497 0.000 0.714 741 K HN 0.623 nan 8.250 nan 0.000 0.440 742 F N -0.871 118.961 119.950 -0.196 0.000 2.171 742 F HA -0.205 4.318 4.527 -0.006 0.000 0.300 742 F C 2.040 177.725 175.800 -0.191 0.000 1.090 742 F CA 0.483 58.373 58.000 -0.184 0.000 1.293 742 F CB -0.252 38.576 39.000 -0.286 0.000 1.013 742 F HN 0.143 nan 8.300 nan 0.000 0.486 743 W N -0.195 121.152 121.300 0.077 0.000 2.388 743 W HA -0.159 4.498 4.660 -0.005 0.000 0.294 743 W C 2.275 178.811 176.519 0.029 0.000 1.212 743 W CA 0.364 57.733 57.345 0.040 0.000 1.271 743 W CB -0.558 28.895 29.460 -0.012 0.000 1.126 743 W HN -0.031 nan 8.180 nan 0.000 0.535 744 L N 0.699 122.076 121.223 0.256 0.000 2.046 744 L HA 0.014 4.351 4.340 -0.005 0.000 0.208 744 L C 2.308 179.272 176.870 0.156 0.000 1.077 744 L CA 2.538 57.511 54.840 0.222 0.000 0.747 744 L CB -1.418 40.866 42.059 0.374 0.000 0.896 744 L HN 0.006 nan 8.230 nan 0.000 0.432 745 G N -1.244 107.696 108.800 0.233 0.000 2.418 745 G HA2 -0.240 3.717 3.960 -0.005 0.000 0.217 745 G HA3 -0.240 3.717 3.960 -0.005 0.000 0.217 745 G C 1.685 176.623 174.900 0.063 0.000 1.158 745 G CA 0.943 46.140 45.100 0.161 0.000 0.771 745 G HN 0.330 nan 8.290 nan 0.000 0.545 746 V N 1.203 121.134 119.914 0.029 0.000 2.407 746 V HA -0.051 4.065 4.120 -0.005 0.000 0.248 746 V C 3.172 179.259 176.094 -0.012 0.000 1.055 746 V CA 2.429 64.727 62.300 -0.004 0.000 1.049 746 V CB -0.512 31.271 31.823 -0.066 0.000 0.662 746 V HN 0.448 nan 8.190 nan 0.000 0.455 747 A N -0.895 121.871 122.820 -0.090 0.000 1.873 747 A HA -0.242 4.075 4.320 -0.005 0.000 0.215 747 A C 2.255 179.593 177.584 -0.410 0.000 1.186 747 A CA 1.832 53.697 52.037 -0.288 0.000 0.616 747 A CB -0.679 18.001 19.000 -0.534 0.000 0.823 747 A HN 0.659 nan 8.150 nan 0.000 0.442 748 E N 0.120 120.031 120.200 -0.482 0.000 2.058 748 E HA -0.183 4.164 4.350 -0.005 0.000 0.194 748 E C 2.187 178.924 176.600 0.229 0.000 0.997 748 E CA 1.587 57.931 56.400 -0.094 0.000 0.801 748 E CB -0.114 29.610 29.700 0.039 0.000 0.746 748 E HN 0.560 nan 8.360 nan 0.000 0.450 749 S N 0.807 116.632 115.700 0.209 0.000 2.359 749 S HA -0.166 4.301 4.470 -0.005 0.000 0.224 749 S C 1.693 176.461 174.600 0.281 0.000 1.035 749 S CA 1.628 60.038 58.200 0.351 0.000 1.018 749 S CB -0.412 62.969 63.200 0.302 0.000 0.876 749 S HN 0.328 nan 8.310 nan 0.000 0.448 750 N N 0.613 119.404 118.700 0.152 0.000 2.142 750 N HA 0.041 4.778 4.740 -0.005 0.000 0.186 750 N C 1.442 177.059 175.510 0.178 0.000 1.023 750 N CA 0.898 53.991 53.050 0.072 0.000 0.852 750 N CB -0.334 38.108 38.487 -0.074 0.000 0.998 750 N HN 0.388 nan 8.380 nan 0.000 0.424 751 F N 1.266 121.308 119.950 0.154 0.000 2.069 751 F HA -0.254 4.269 4.527 -0.006 0.000 0.298 751 F C 2.641 178.664 175.800 0.371 0.000 1.113 751 F CA 1.649 59.892 58.000 0.405 0.000 1.214 751 F CB -0.341 39.014 39.000 0.592 0.000 0.978 751 F HN 0.237 nan 8.300 nan 0.000 0.474 752 H N 0.279 119.684 119.070 0.558 0.000 2.267 752 H HA -0.192 4.360 4.556 -0.005 0.000 0.297 752 H C 2.044 177.519 175.328 0.244 0.000 1.080 752 H CA 2.345 58.610 56.048 0.362 0.000 1.278 752 H CB -0.440 29.466 29.762 0.241 0.000 1.365 752 H HN 0.432 nan 8.280 nan 0.000 0.489 753 Q N 0.071 119.862 119.800 -0.015 0.000 2.079 753 Q HA -0.085 4.252 4.340 -0.005 0.000 0.200 753 Q C 2.802 178.779 176.000 -0.038 0.000 0.974 753 Q CA 1.516 57.261 55.803 -0.096 0.000 0.840 753 Q CB 0.203 28.955 28.738 0.022 0.000 0.898 753 Q HN 0.483 nan 8.270 nan 0.000 0.430 754 L N -0.172 121.087 121.223 0.060 0.000 2.168 754 L HA -0.038 4.298 4.340 -0.005 0.000 0.203 754 L C 2.115 178.995 176.870 0.016 0.000 1.078 754 L CA 0.622 55.524 54.840 0.102 0.000 0.780 754 L CB -0.233 42.016 42.059 0.317 0.000 0.939 754 L HN 0.222 nan 8.230 nan 0.000 0.451 755 N N -0.355 118.321 118.700 -0.040 0.000 2.324 755 N HA -0.088 4.649 4.740 -0.005 0.000 0.192 755 N C 1.744 177.147 175.510 -0.178 0.000 1.046 755 N CA 1.798 54.699 53.050 -0.250 0.000 0.898 755 N CB -0.253 37.849 38.487 -0.642 0.000 1.079 755 N HN -0.062 nan 8.380 nan 0.000 0.456 756 T N -0.172 114.295 114.554 -0.145 0.000 2.684 756 T HA -0.154 4.193 4.350 -0.005 0.000 0.267 756 T C 1.589 176.331 174.700 0.070 0.000 1.036 756 T CA 1.583 63.696 62.100 0.022 0.000 1.148 756 T CB -0.465 68.529 68.868 0.209 0.000 0.863 756 T HN 0.431 nan 8.240 nan 0.000 0.436 757 H N -0.371 118.620 119.070 -0.131 0.000 2.283 757 H HA 0.138 4.691 4.556 -0.005 0.000 0.320 757 H C 2.341 177.723 175.328 0.089 0.000 1.074 757 H CA 0.516 56.531 56.048 -0.055 0.000 1.476 757 H CB -0.233 29.377 29.762 -0.252 0.000 1.465 757 H HN 0.144 nan 8.280 nan 0.000 0.573 758 L N 1.145 122.210 121.223 -0.262 0.000 1.994 758 L HA -0.138 4.199 4.340 -0.005 0.000 0.208 758 L C 2.482 179.308 176.870 -0.075 0.000 1.071 758 L CA 1.450 56.124 54.840 -0.277 0.000 0.745 758 L CB -1.019 40.889 42.059 -0.253 0.000 0.892 758 L HN 0.417 nan 8.230 nan 0.000 0.431 759 L N -0.486 120.696 121.223 -0.068 0.000 2.023 759 L HA -0.089 4.248 4.340 -0.005 0.000 0.205 759 L C 2.536 179.412 176.870 0.009 0.000 1.073 759 L CA 1.658 56.460 54.840 -0.063 0.000 0.745 759 L CB -0.521 41.474 42.059 -0.107 0.000 0.900 759 L HN 0.200 nan 8.230 nan 0.000 0.435 760 R N -1.263 119.254 120.500 0.028 0.000 2.297 760 R HA 0.037 4.374 4.340 -0.005 0.000 0.197 760 R C 1.483 177.900 176.300 0.196 0.000 0.943 760 R CA 0.948 57.098 56.100 0.084 0.000 1.038 760 R CB -0.161 30.112 30.300 -0.045 0.000 0.957 760 R HN 0.657 nan 8.270 nan 0.000 0.484 761 T N -3.004 111.667 114.554 0.194 0.000 3.610 761 T HA 0.055 4.401 4.350 -0.005 0.000 0.209 761 T C 1.604 176.391 174.700 0.146 0.000 0.889 761 T CA -0.175 62.051 62.100 0.210 0.000 1.469 761 T CB -0.453 68.598 68.868 0.305 0.000 1.557 761 T HN 0.018 nan 8.240 nan 0.000 0.431 762 H N 1.745 120.865 119.070 0.083 0.000 2.306 762 H HA -0.083 4.470 4.556 -0.005 0.000 0.289 762 H C 2.364 177.735 175.328 0.072 0.000 1.081 762 H CA 2.446 58.521 56.048 0.045 0.000 1.163 762 H CB -0.641 29.084 29.762 -0.061 0.000 1.357 762 H HN 0.266 nan 8.280 nan 0.000 0.524 763 L N 0.404 121.722 121.223 0.158 0.000 2.109 763 L HA -0.122 4.214 4.340 -0.005 0.000 0.207 763 L C 2.955 179.869 176.870 0.075 0.000 1.086 763 L CA 1.578 56.454 54.840 0.059 0.000 0.760 763 L CB -0.634 41.386 42.059 -0.065 0.000 0.910 763 L HN 0.449 nan 8.230 nan 0.000 0.437 764 T N -3.763 110.844 114.554 0.087 0.000 2.812 764 T HA -0.160 4.187 4.350 -0.005 0.000 0.264 764 T C 1.891 176.958 174.700 0.612 0.000 1.042 764 T CA 1.493 63.714 62.100 0.202 0.000 1.140 764 T CB -0.902 67.961 68.868 -0.009 0.000 0.870 764 T HN 0.430 nan 8.240 nan 0.000 0.445 765 T N -0.033 114.761 114.554 0.401 0.000 2.995 765 T HA 0.010 4.357 4.350 -0.005 0.000 0.269 765 T C 1.827 176.801 174.700 0.456 0.000 1.091 765 T CA 1.189 63.462 62.100 0.289 0.000 1.128 765 T CB -0.503 68.187 68.868 -0.296 0.000 0.891 765 T HN 0.592 nan 8.240 nan 0.000 0.492 766 E N 1.279 121.712 120.200 0.388 0.000 2.130 766 E HA -0.171 4.176 4.350 -0.005 0.000 0.196 766 E C 2.165 178.960 176.600 0.326 0.000 0.998 766 E CA 1.395 57.998 56.400 0.337 0.000 0.806 766 E CB -0.290 29.537 29.700 0.212 0.000 0.738 766 E HN 0.607 nan 8.360 nan 0.000 0.459 767 S N -0.091 115.840 115.700 0.386 0.000 2.370 767 S HA -0.149 4.318 4.470 -0.005 0.000 0.226 767 S C 1.530 176.234 174.600 0.173 0.000 1.033 767 S CA 1.221 59.642 58.200 0.368 0.000 1.011 767 S CB -0.355 63.098 63.200 0.421 0.000 0.852 767 S HN 0.298 nan 8.310 nan 0.000 0.457 768 F N 1.707 121.743 119.950 0.143 0.000 2.206 768 F HA 0.052 4.576 4.527 -0.005 0.000 0.298 768 F C 2.533 178.492 175.800 0.265 0.000 1.090 768 F CA 0.619 58.658 58.000 0.065 0.000 1.323 768 F CB -0.682 38.359 39.000 0.069 0.000 1.028 768 F HN 0.160 nan 8.300 nan 0.000 0.492 769 A N 0.083 123.232 122.820 0.549 0.000 1.865 769 A HA -0.213 4.104 4.320 -0.005 0.000 0.217 769 A C 2.105 179.864 177.584 0.292 0.000 1.191 769 A CA 1.764 54.045 52.037 0.408 0.000 0.623 769 A CB -1.163 18.047 19.000 0.350 0.000 0.826 769 A HN 0.339 nan 8.150 nan 0.000 0.444 770 L N -0.207 121.102 121.223 0.142 0.000 2.042 770 L HA -0.120 4.217 4.340 -0.005 0.000 0.210 770 L C 2.617 179.424 176.870 -0.105 0.000 1.076 770 L CA 2.605 57.403 54.840 -0.069 0.000 0.749 770 L CB -0.728 41.083 42.059 -0.414 0.000 0.893 770 L HN 0.349 nan 8.230 nan 0.000 0.432 771 S N -1.847 113.809 115.700 -0.073 0.000 2.399 771 S HA -0.181 4.285 4.470 -0.005 0.000 0.231 771 S C 1.868 176.649 174.600 0.300 0.000 1.022 771 S CA 1.650 59.854 58.200 0.008 0.000 0.983 771 S CB -0.392 62.684 63.200 -0.206 0.000 0.803 771 S HN 0.675 nan 8.310 nan 0.000 0.480 772 T N 0.328 115.143 114.554 0.435 0.000 2.708 772 T HA -0.121 4.226 4.350 -0.005 0.000 0.266 772 T C 1.198 175.934 174.700 0.061 0.000 1.037 772 T CA 1.614 63.929 62.100 0.358 0.000 1.146 772 T CB -0.473 68.474 68.868 0.132 0.000 0.865 772 T HN 0.636 nan 8.240 nan 0.000 0.435 773 W N 1.514 122.783 121.300 -0.051 0.000 2.388 773 W HA 0.030 4.687 4.660 -0.006 0.000 0.294 773 W C 2.703 179.068 176.519 -0.257 0.000 1.212 773 W CA 0.412 57.553 57.345 -0.340 0.000 1.271 773 W CB -0.171 28.628 29.460 -1.102 0.000 1.126 773 W HN 0.108 nan 8.180 nan 0.000 0.535 774 R N -0.258 120.285 120.500 0.072 0.000 2.092 774 R HA -0.095 4.242 4.340 -0.005 0.000 0.231 774 R C 1.425 177.806 176.300 0.135 0.000 1.119 774 R CA 1.366 57.530 56.100 0.106 0.000 0.970 774 R CB -0.311 30.023 30.300 0.056 0.000 0.864 774 R HN 0.235 nan 8.270 nan 0.000 0.440 775 N N -0.746 118.052 118.700 0.164 0.000 2.297 775 N HA 0.117 4.854 4.740 -0.005 0.000 0.208 775 N C -0.209 175.359 175.510 0.097 0.000 1.176 775 N CA 0.175 53.332 53.050 0.180 0.000 0.882 775 N CB 1.077 39.740 38.487 0.293 0.000 1.134 775 N HN 0.030 nan 8.380 nan 0.000 0.489 776 L N 1.533 122.770 121.223 0.023 0.000 2.282 776 L HA 0.569 4.906 4.340 -0.005 0.000 0.288 776 L C 0.357 177.112 176.870 -0.192 0.000 1.033 776 L CA -0.771 53.987 54.840 -0.136 0.000 0.807 776 L CB 1.602 43.493 42.059 -0.280 0.000 1.209 776 L HN -0.082 nan 8.230 nan 0.000 0.423 777 A N 1.920 124.647 122.820 -0.155 0.000 2.366 777 A HA 0.262 4.579 4.320 -0.005 0.000 0.249 777 A C 1.266 178.512 177.584 -0.563 0.000 1.084 777 A CA 0.164 52.050 52.037 -0.251 0.000 0.794 777 A CB 0.459 19.421 19.000 -0.063 0.000 1.034 777 A HN 0.896 nan 8.150 nan 0.000 0.491 778 S N 0.737 115.982 115.700 -0.758 0.000 2.442 778 S HA -0.033 4.434 4.470 -0.005 0.000 0.236 778 S C 1.547 175.900 174.600 -0.412 0.000 1.007 778 S CA 1.109 58.697 58.200 -1.021 0.000 0.965 778 S CB -0.400 62.378 63.200 -0.702 0.000 0.773 778 S HN 1.289 nan 8.310 nan 0.000 0.504 779 A N 0.620 123.317 122.820 -0.205 0.000 2.208 779 A HA 0.177 4.494 4.320 -0.005 0.000 0.209 779 A C 0.820 178.319 177.584 -0.142 0.000 1.161 779 A CA 0.080 52.074 52.037 -0.072 0.000 0.782 779 A CB -0.752 18.329 19.000 0.135 0.000 0.816 779 A HN 0.706 nan 8.150 nan 0.000 0.477 780 H N 0.555 119.482 119.070 -0.237 0.000 2.722 780 H HA 0.199 4.752 4.556 -0.005 0.000 0.328 780 H C -1.344 173.767 175.328 -0.363 0.000 1.067 780 H CA -1.402 54.487 56.048 -0.266 0.000 1.447 780 H CB 1.293 30.938 29.762 -0.195 0.000 1.469 780 H HN 0.039 nan 8.280 nan 0.000 0.544 781 P HA -0.209 nan 4.420 nan 0.000 0.218 781 P C 1.141 178.300 177.300 -0.235 0.000 1.148 781 P CA 1.103 63.824 63.100 -0.632 0.000 0.822 781 P CB 0.387 31.289 31.700 -1.330 0.000 0.784 782 I N -1.746 118.896 120.570 0.121 0.000 2.617 782 I HA -0.106 4.061 4.170 -0.005 0.000 0.256 782 I C 2.369 178.320 176.117 -0.277 0.000 1.167 782 I CA 0.580 61.823 61.300 -0.096 0.000 1.469 782 I CB -1.625 36.252 38.000 -0.206 0.000 1.098 782 I HN -0.131 nan 8.210 nan 0.000 0.436 783 F N 2.634 122.358 119.950 -0.378 0.000 2.102 783 F HA -0.227 4.297 4.527 -0.005 0.000 0.298 783 F C 2.461 177.974 175.800 -0.478 0.000 1.105 783 F CA 1.858 59.585 58.000 -0.455 0.000 1.239 783 F CB -0.138 38.608 39.000 -0.423 0.000 0.991 783 F HN -0.085 nan 8.300 nan 0.000 0.474 784 K N -0.023 120.108 120.400 -0.448 0.000 2.103 784 K HA -0.198 4.119 4.320 -0.005 0.000 0.207 784 K C 1.960 178.142 176.600 -0.696 0.000 1.048 784 K CA 1.681 57.468 56.287 -0.833 0.000 0.930 784 K CB -0.575 31.006 32.500 -1.532 0.000 0.716 784 K HN 0.315 nan 8.250 nan 0.000 0.444 785 L N 1.105 122.135 121.223 -0.322 0.000 2.056 785 L HA -0.128 4.209 4.340 -0.005 0.000 0.207 785 L C 1.854 178.694 176.870 -0.051 0.000 1.078 785 L CA 1.530 56.408 54.840 0.063 0.000 0.749 785 L CB -0.119 42.006 42.059 0.109 0.000 0.901 785 L HN 0.108 nan 8.230 nan 0.000 0.433 786 L N -1.172 119.917 121.223 -0.223 0.000 2.240 786 L HA -0.113 4.224 4.340 -0.005 0.000 0.211 786 L C 2.558 179.240 176.870 -0.312 0.000 1.106 786 L CA 0.813 55.545 54.840 -0.179 0.000 0.793 786 L CB -0.509 41.413 42.059 -0.228 0.000 0.927 786 L HN 0.431 nan 8.230 nan 0.000 0.446 787 Q N 0.750 120.203 119.800 -0.577 0.000 2.062 787 Q HA -0.225 4.112 4.340 -0.005 0.000 0.209 787 Q C -0.643 175.187 176.000 -0.284 0.000 0.996 787 Q CA 2.462 57.923 55.803 -0.570 0.000 0.859 787 Q CB -0.732 27.608 28.738 -0.663 0.000 0.920 787 Q HN 0.326 nan 8.270 nan 0.000 0.415 788 P HA -0.146 nan 4.420 nan 0.000 0.226 788 P C 0.403 177.514 177.300 -0.316 0.000 1.153 788 P CA 1.340 64.274 63.100 -0.278 0.000 0.777 788 P CB -0.056 31.466 31.700 -0.297 0.000 0.794 789 H N -0.255 118.783 119.070 -0.053 0.000 2.486 789 H HA 0.146 4.699 4.556 -0.005 0.000 0.287 789 H C 2.045 177.030 175.328 -0.571 0.000 1.010 789 H CA 0.807 56.781 56.048 -0.123 0.000 1.324 789 H CB -0.051 29.727 29.762 0.028 0.000 1.446 789 H HN 0.260 nan 8.280 nan 0.000 0.537 790 I N -1.842 118.451 120.570 -0.462 0.000 3.419 790 I HA 0.011 4.178 4.170 -0.005 0.000 0.286 790 I C 0.866 176.861 176.117 -0.202 0.000 1.268 790 I CA -0.199 60.724 61.300 -0.629 0.000 1.414 790 I CB -0.497 37.333 38.000 -0.283 0.000 1.074 790 I HN -0.138 nan 8.210 nan 0.000 0.457 791 Y N 3.521 123.737 120.300 -0.141 0.000 2.810 791 Y HA 0.313 4.861 4.550 -0.004 0.000 0.332 791 Y C 1.347 177.281 175.900 0.056 0.000 1.243 791 Y CA 1.233 59.347 58.100 0.024 0.000 1.537 791 Y CB 0.472 38.950 38.460 0.030 0.000 1.265 791 Y HN 0.428 nan 8.280 nan 0.000 0.572 792 G N 3.338 111.726 108.800 -0.687 0.000 2.345 792 G HA2 -0.359 3.598 3.960 -0.005 0.000 0.218 792 G HA3 -0.359 3.598 3.960 -0.005 0.000 0.218 792 G C 0.784 175.614 174.900 -0.117 0.000 1.058 792 G CA 0.359 45.194 45.100 -0.441 0.000 0.632 792 G HN 0.986 nan 8.290 nan 0.000 0.508 793 V N 1.830 121.717 119.914 -0.046 0.000 2.427 793 V HA 0.085 4.202 4.120 -0.005 0.000 0.248 793 V C 2.796 178.907 176.094 0.028 0.000 1.051 793 V CA 2.710 65.044 62.300 0.057 0.000 1.048 793 V CB -0.269 31.672 31.823 0.196 0.000 0.666 793 V HN 0.505 nan 8.190 nan 0.000 0.456 794 L N 0.086 121.301 121.223 -0.015 0.000 2.046 794 L HA -0.103 4.234 4.340 -0.005 0.000 0.208 794 L C 2.776 179.557 176.870 -0.149 0.000 1.077 794 L CA 1.658 56.464 54.840 -0.055 0.000 0.747 794 L CB -0.950 41.075 42.059 -0.056 0.000 0.896 794 L HN 0.406 nan 8.230 nan 0.000 0.432 795 A N 0.237 122.915 122.820 -0.238 0.000 1.845 795 A HA -0.245 4.072 4.320 -0.005 0.000 0.215 795 A C 2.233 179.515 177.584 -0.504 0.000 1.195 795 A CA 1.960 53.758 52.037 -0.398 0.000 0.616 795 A CB -0.745 17.872 19.000 -0.638 0.000 0.832 795 A HN 0.296 nan 8.150 nan 0.000 0.443 796 I N 0.282 120.576 120.570 -0.460 0.000 2.286 796 I HA -0.183 3.984 4.170 -0.005 0.000 0.248 796 I C 1.348 177.354 176.117 -0.184 0.000 1.115 796 I CA 1.870 62.981 61.300 -0.315 0.000 1.392 796 I CB -0.432 37.593 38.000 0.041 0.000 1.065 796 I HN 0.272 nan 8.210 nan 0.000 0.418 797 D N -0.393 119.954 120.400 -0.088 0.000 2.144 797 D HA -0.126 4.511 4.640 -0.005 0.000 0.200 797 D C 2.212 178.452 176.300 -0.101 0.000 0.978 797 D CA 1.614 55.574 54.000 -0.068 0.000 0.833 797 D CB -0.379 40.423 40.800 0.004 0.000 0.961 797 D HN 0.303 nan 8.370 nan 0.000 0.470 798 T N 0.826 115.306 114.554 -0.124 0.000 2.708 798 T HA -0.069 4.278 4.350 -0.005 0.000 0.266 798 T C 2.187 176.820 174.700 -0.112 0.000 1.037 798 T CA 0.618 62.649 62.100 -0.114 0.000 1.146 798 T CB -0.216 68.575 68.868 -0.129 0.000 0.865 798 T HN 0.146 nan 8.240 nan 0.000 0.435 799 I N 1.181 121.650 120.570 -0.168 0.000 2.179 799 I HA -0.119 4.048 4.170 -0.005 0.000 0.242 799 I C 2.904 178.953 176.117 -0.112 0.000 1.088 799 I CA 1.378 62.574 61.300 -0.173 0.000 1.357 799 I CB -0.713 37.063 38.000 -0.373 0.000 1.051 799 I HN 0.314 nan 8.210 nan 0.000 0.409 800 G N 0.393 109.114 108.800 -0.132 0.000 2.432 800 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.219 800 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.219 800 G C 1.788 176.652 174.900 -0.060 0.000 1.135 800 G CA 0.290 45.333 45.100 -0.095 0.000 0.767 800 G HN 0.294 nan 8.290 nan 0.000 0.550 801 R N 0.380 120.844 120.500 -0.060 0.000 2.193 801 R HA 0.022 4.359 4.340 -0.005 0.000 0.229 801 R C 2.932 179.222 176.300 -0.016 0.000 1.110 801 R CA 1.532 57.610 56.100 -0.037 0.000 0.988 801 R CB -0.103 30.171 30.300 -0.043 0.000 0.871 801 R HN 0.474 nan 8.270 nan 0.000 0.458 802 K N 1.245 121.635 120.400 -0.016 0.000 2.019 802 K HA -0.048 4.269 4.320 -0.005 0.000 0.209 802 K C 1.670 178.280 176.600 0.016 0.000 1.032 802 K CA 1.121 57.410 56.287 0.003 0.000 0.947 802 K CB -0.562 31.941 32.500 0.005 0.000 0.757 802 K HN 0.273 nan 8.250 nan 0.000 0.444 803 E N 0.172 120.387 120.200 0.025 0.000 2.482 803 E HA 0.148 4.495 4.350 -0.005 0.000 0.196 803 E C 1.862 178.485 176.600 0.039 0.000 1.047 803 E CA 0.880 57.312 56.400 0.054 0.000 0.869 803 E CB 0.076 29.851 29.700 0.126 0.000 0.836 803 E HN 0.422 nan 8.360 nan 0.000 0.520 804 L N -0.428 120.802 121.223 0.011 0.000 2.678 804 L HA 0.352 4.689 4.340 -0.005 0.000 0.211 804 L C 2.398 179.263 176.870 -0.009 0.000 1.043 804 L CA 0.854 55.687 54.840 -0.011 0.000 0.881 804 L CB -0.952 41.083 42.059 -0.040 0.000 1.361 804 L HN 0.166 nan 8.230 nan 0.000 0.484 805 I N 0.549 121.132 120.570 0.021 0.000 3.030 805 I HA 0.638 4.805 4.170 -0.005 0.000 0.270 805 I C 1.469 177.689 176.117 0.171 0.000 1.211 805 I CA 0.758 62.126 61.300 0.113 0.000 1.479 805 I CB -1.167 36.871 38.000 0.064 0.000 1.105 805 I HN 0.552 nan 8.210 nan 0.000 0.447 806 G N 0.417 109.264 108.800 0.080 0.000 2.527 806 G HA2 0.368 4.325 3.960 -0.005 0.000 0.248 806 G HA3 0.368 4.325 3.960 -0.005 0.000 0.248 806 G C 0.484 175.429 174.900 0.074 0.000 1.231 806 G CA 0.651 45.795 45.100 0.074 0.000 0.838 806 G HN 0.617 nan 8.290 nan 0.000 0.570 807 S N -0.075 115.672 115.700 0.077 0.000 2.563 807 S HA 0.366 4.833 4.470 -0.005 0.000 0.294 807 S C 1.730 176.355 174.600 0.042 0.000 1.279 807 S CA 1.250 59.491 58.200 0.069 0.000 1.069 807 S CB -0.118 63.117 63.200 0.059 0.000 0.828 807 S HN 2.244 nan 8.310 nan 0.000 0.497 808 G N 3.304 112.127 108.800 0.039 0.000 2.205 808 G HA2 -0.209 3.748 3.960 -0.005 0.000 0.261 808 G HA3 -0.209 3.748 3.960 -0.005 0.000 0.261 808 G C 0.681 175.577 174.900 -0.006 0.000 0.980 808 G CA 0.374 45.486 45.100 0.021 0.000 0.632 808 G HN 1.271 nan 8.290 nan 0.000 0.533 809 G N -0.581 108.213 108.800 -0.010 0.000 2.525 809 G HA2 0.463 4.420 3.960 -0.005 0.000 0.276 809 G HA3 0.463 4.420 3.960 -0.005 0.000 0.276 809 G C 1.446 176.314 174.900 -0.053 0.000 1.388 809 G CA 0.662 45.751 45.100 -0.019 0.000 1.050 809 G HN 0.688 nan 8.290 nan 0.000 0.520 810 I N 0.074 120.617 120.570 -0.045 0.000 2.163 810 I HA -0.175 3.992 4.170 -0.005 0.000 0.243 810 I C 3.311 179.361 176.117 -0.112 0.000 1.085 810 I CA 1.725 62.988 61.300 -0.062 0.000 1.347 810 I CB -1.441 36.539 38.000 -0.034 0.000 1.044 810 I HN 0.570 nan 8.210 nan 0.000 0.408 811 V N 0.119 119.949 119.914 -0.139 0.000 2.287 811 V HA -0.332 3.785 4.120 -0.005 0.000 0.248 811 V C 2.104 178.053 176.094 -0.242 0.000 1.053 811 V CA 3.031 65.207 62.300 -0.206 0.000 1.027 811 V CB -0.989 30.658 31.823 -0.293 0.000 0.646 811 V HN 0.391 nan 8.190 nan 0.000 0.447 812 D N -0.409 119.850 120.400 -0.235 0.000 2.182 812 D HA -0.184 4.453 4.640 -0.005 0.000 0.201 812 D C 2.260 178.422 176.300 -0.229 0.000 0.986 812 D CA 1.672 55.568 54.000 -0.173 0.000 0.847 812 D CB -0.103 40.662 40.800 -0.058 0.000 0.942 812 D HN 0.792 nan 8.370 nan 0.000 0.467 813 Q N -0.748 118.932 119.800 -0.200 0.000 2.269 813 Q HA 0.044 4.381 4.340 -0.005 0.000 0.201 813 Q C 1.781 177.638 176.000 -0.238 0.000 0.946 813 Q CA 1.133 56.802 55.803 -0.224 0.000 0.877 813 Q CB 0.366 29.013 28.738 -0.152 0.000 0.963 813 Q HN 0.279 nan 8.270 nan 0.000 0.472 814 S N -1.473 114.100 115.700 -0.211 0.000 2.604 814 S HA 0.267 4.734 4.470 -0.005 0.000 0.235 814 S C 0.309 174.794 174.600 -0.191 0.000 1.043 814 S CA -0.467 57.614 58.200 -0.198 0.000 0.997 814 S CB 0.512 63.601 63.200 -0.185 0.000 0.956 814 S HN 0.059 nan 8.310 nan 0.000 0.535 815 L N 1.724 122.840 121.223 -0.180 0.000 2.334 815 L HA 0.509 4.846 4.340 -0.005 0.000 0.276 815 L C 1.041 177.842 176.870 -0.115 0.000 1.014 815 L CA -0.606 54.152 54.840 -0.136 0.000 0.815 815 L CB 1.975 43.966 42.059 -0.113 0.000 1.268 815 L HN 0.080 nan 8.230 nan 0.000 0.428 816 S N 1.921 117.573 115.700 -0.079 0.000 2.387 816 S HA -0.146 4.321 4.470 -0.005 0.000 0.230 816 S C 1.427 176.028 174.600 0.001 0.000 1.035 816 S CA 1.369 59.545 58.200 -0.041 0.000 1.014 816 S CB -0.120 63.079 63.200 -0.001 0.000 0.836 816 S HN 0.424 nan 8.310 nan 0.000 0.466 817 L N 1.385 122.604 121.223 -0.006 0.000 2.599 817 L HA 0.243 4.580 4.340 -0.005 0.000 0.230 817 L C 1.481 178.402 176.870 0.084 0.000 1.141 817 L CA -0.016 54.849 54.840 0.042 0.000 0.877 817 L CB -1.513 40.549 42.059 0.005 0.000 1.009 817 L HN 0.189 nan 8.230 nan 0.000 0.447 818 G N -1.345 107.449 108.800 -0.010 0.000 2.720 818 G HA2 0.324 4.281 3.960 -0.005 0.000 0.237 818 G HA3 0.324 4.281 3.960 -0.005 0.000 0.237 818 G C 1.074 176.085 174.900 0.185 0.000 1.239 818 G CA 0.261 45.311 45.100 -0.083 0.000 0.847 818 G HN 0.514 nan 8.290 nan 0.000 0.593 819 G N -1.396 107.505 108.800 0.168 0.000 2.176 819 G HA2 0.238 4.195 3.960 -0.005 0.000 0.232 819 G HA3 0.238 4.195 3.960 -0.005 0.000 0.232 819 G C 1.299 176.299 174.900 0.166 0.000 0.986 819 G CA 0.931 46.127 45.100 0.161 0.000 0.643 819 G HN 2.555 nan 8.290 nan 0.000 0.522 820 G N -1.267 107.769 108.800 0.394 0.000 2.617 820 G HA2 0.199 4.155 3.960 -0.005 0.000 0.197 820 G HA3 0.199 4.155 3.960 -0.005 0.000 0.197 820 G C 1.838 176.811 174.900 0.121 0.000 1.017 820 G CA 1.162 46.393 45.100 0.219 0.000 0.713 820 G HN 1.748 nan 8.290 nan 0.000 0.481 821 G N 1.202 110.121 108.800 0.199 0.000 2.479 821 G HA2 -0.065 3.892 3.960 -0.005 0.000 0.220 821 G HA3 -0.065 3.892 3.960 -0.005 0.000 0.220 821 G C 1.494 176.509 174.900 0.191 0.000 1.115 821 G CA 2.109 47.301 45.100 0.153 0.000 0.757 821 G HN 0.941 nan 8.290 nan 0.000 0.560 822 H N 0.302 119.429 119.070 0.095 0.000 2.387 822 H HA -0.003 4.550 4.556 -0.005 0.000 0.299 822 H C 2.324 177.738 175.328 0.144 0.000 1.090 822 H CA 1.347 57.472 56.048 0.128 0.000 1.332 822 H CB -1.046 28.759 29.762 0.073 0.000 1.386 822 H HN 0.218 nan 8.280 nan 0.000 0.516 823 V N 1.543 121.149 119.914 -0.513 0.000 2.307 823 V HA -0.208 3.909 4.120 -0.005 0.000 0.245 823 V C 2.670 178.707 176.094 -0.094 0.000 1.045 823 V CA 2.159 64.275 62.300 -0.307 0.000 1.024 823 V CB -0.966 30.650 31.823 -0.346 0.000 0.651 823 V HN 0.461 nan 8.190 nan 0.000 0.449 824 T N 0.479 115.011 114.554 -0.036 0.000 2.759 824 T HA -0.209 4.138 4.350 -0.005 0.000 0.269 824 T C 1.694 176.441 174.700 0.077 0.000 1.042 824 T CA 2.000 64.116 62.100 0.026 0.000 1.140 824 T CB -0.423 68.478 68.868 0.054 0.000 0.864 824 T HN 0.446 nan 8.240 nan 0.000 0.455 825 F N 1.674 121.618 119.950 -0.009 0.000 2.113 825 F HA 0.028 4.552 4.527 -0.006 0.000 0.297 825 F C 2.212 178.006 175.800 -0.009 0.000 1.103 825 F CA 1.158 59.167 58.000 0.015 0.000 1.248 825 F CB -0.458 38.571 39.000 0.049 0.000 0.999 825 F HN 0.038 nan 8.300 nan 0.000 0.475 826 M N 0.004 119.540 119.600 -0.106 0.000 2.159 826 M HA -0.204 4.273 4.480 -0.005 0.000 0.263 826 M C 2.024 178.221 176.300 -0.173 0.000 1.063 826 M CA 1.816 56.984 55.300 -0.220 0.000 1.110 826 M CB -0.601 31.937 32.600 -0.103 0.000 1.374 826 M HN 0.207 nan 8.290 nan 0.000 0.411 827 E N 0.430 120.571 120.200 -0.098 0.000 2.058 827 E HA -0.238 4.109 4.350 -0.005 0.000 0.194 827 E C 2.005 178.554 176.600 -0.086 0.000 0.997 827 E CA 1.262 57.642 56.400 -0.034 0.000 0.801 827 E CB -0.202 29.492 29.700 -0.010 0.000 0.746 827 E HN 0.403 nan 8.360 nan 0.000 0.450 828 K N 0.636 120.954 120.400 -0.136 0.000 2.044 828 K HA -0.208 4.109 4.320 -0.005 0.000 0.210 828 K C 2.199 178.654 176.600 -0.241 0.000 1.049 828 K CA 1.764 57.951 56.287 -0.167 0.000 0.927 828 K CB -0.189 32.242 32.500 -0.115 0.000 0.713 828 K HN 0.197 nan 8.250 nan 0.000 0.443 829 C N 0.138 119.211 119.300 -0.378 0.000 2.429 829 C HA -0.103 4.354 4.460 -0.005 0.000 0.277 829 C C 2.411 177.283 174.990 -0.196 0.000 1.262 829 C CA 0.339 59.144 59.018 -0.354 0.000 1.733 829 C CB -1.081 26.335 27.740 -0.540 0.000 2.010 829 C HN 0.554 nan 8.230 nan 0.000 0.483 830 F N 2.199 121.973 119.950 -0.293 0.000 2.171 830 F HA -0.115 4.409 4.527 -0.005 0.000 0.300 830 F C 2.217 177.903 175.800 -0.191 0.000 1.090 830 F CA 1.523 59.364 58.000 -0.266 0.000 1.293 830 F CB -0.567 38.283 39.000 -0.250 0.000 1.013 830 F HN 0.176 nan 8.300 nan 0.000 0.486 831 K N -0.222 119.927 120.400 -0.418 0.000 2.218 831 K HA -0.193 4.124 4.320 -0.005 0.000 0.205 831 K C 1.476 177.909 176.600 -0.277 0.000 1.046 831 K CA 1.556 57.504 56.287 -0.565 0.000 0.933 831 K CB -0.156 32.028 32.500 -0.528 0.000 0.728 831 K HN 0.297 nan 8.250 nan 0.000 0.454 832 E N 0.182 120.257 120.200 -0.209 0.000 2.472 832 E HA 0.035 4.382 4.350 -0.005 0.000 0.196 832 E C 0.138 176.699 176.600 -0.064 0.000 1.033 832 E CA 0.051 56.381 56.400 -0.117 0.000 0.886 832 E CB 0.238 29.887 29.700 -0.084 0.000 0.944 832 E HN -0.045 nan 8.360 nan 0.000 0.492 833 V N 2.560 122.398 119.914 -0.128 0.000 2.599 833 V HA -0.027 4.089 4.120 -0.005 0.000 0.300 833 V C 0.246 176.418 176.094 0.129 0.000 1.034 833 V CA 0.358 62.617 62.300 -0.069 0.000 1.115 833 V CB 0.134 31.793 31.823 -0.272 0.000 0.934 833 V HN 0.136 nan 8.190 nan 0.000 0.485 834 N N 2.616 121.458 118.700 0.236 0.000 2.249 834 N HA 0.370 5.106 4.740 -0.005 0.000 0.296 834 N C 0.396 176.230 175.510 0.539 0.000 1.051 834 N CA -0.836 52.420 53.050 0.343 0.000 0.815 834 N CB 1.459 40.078 38.487 0.219 0.000 1.487 834 N HN 0.478 nan 8.380 nan 0.000 0.475 835 L N 2.135 123.724 121.223 0.610 0.000 2.189 835 L HA -0.106 4.231 4.340 -0.005 0.000 0.214 835 L C 1.750 178.928 176.870 0.515 0.000 1.097 835 L CA 1.777 56.959 54.840 0.570 0.000 0.764 835 L CB -0.355 41.903 42.059 0.332 0.000 0.900 835 L HN 0.721 nan 8.230 nan 0.000 0.436 836 Q N -0.456 119.569 119.800 0.376 0.000 2.291 836 Q HA -0.162 4.174 4.340 -0.005 0.000 0.205 836 Q C 1.642 177.821 176.000 0.298 0.000 0.970 836 Q CA 1.189 57.163 55.803 0.286 0.000 0.876 836 Q CB -0.311 28.522 28.738 0.159 0.000 0.935 836 Q HN 0.610 nan 8.270 nan 0.000 0.455 837 D N -0.623 119.984 120.400 0.345 0.000 2.263 837 D HA -0.153 4.484 4.640 -0.005 0.000 0.208 837 D C 0.930 177.321 176.300 0.152 0.000 0.971 837 D CA 0.927 55.046 54.000 0.198 0.000 0.867 837 D CB -0.128 40.727 40.800 0.091 0.000 0.929 837 D HN 0.368 nan 8.370 nan 0.000 0.492 838 Y N -0.536 119.912 120.300 0.246 0.000 2.466 838 Y HA 0.033 4.580 4.550 -0.005 0.000 0.272 838 Y C 0.953 177.002 175.900 0.250 0.000 1.169 838 Y CA -0.043 58.225 58.100 0.279 0.000 1.285 838 Y CB -0.143 38.505 38.460 0.314 0.000 1.078 838 Y HN 0.000 nan 8.280 nan 0.000 0.523 839 H N 1.299 120.467 119.070 0.164 0.000 2.820 839 H HA 0.089 4.642 4.556 -0.005 0.000 0.278 839 H C 0.953 175.936 175.328 -0.574 0.000 1.142 839 H CA -0.288 55.658 56.048 -0.169 0.000 1.346 839 H CB 0.959 30.711 29.762 -0.017 0.000 1.438 839 H HN 0.319 nan 8.280 nan 0.000 0.473 840 L N 8.067 128.602 121.223 -1.147 0.000 1.994 840 L HA -0.004 4.333 4.340 -0.005 0.000 0.208 840 L C -0.994 175.514 176.870 -0.603 0.000 1.071 840 L CA 1.414 55.779 54.840 -0.791 0.000 0.745 840 L CB -0.887 40.578 42.059 -0.989 0.000 0.892 840 L HN 0.467 nan 8.230 nan 0.000 0.431 841 P HA -0.135 nan 4.420 nan 0.000 0.215 841 P C 1.017 178.225 177.300 -0.155 0.000 1.153 841 P CA 1.840 64.710 63.100 -0.383 0.000 0.853 841 P CB -0.240 31.256 31.700 -0.339 0.000 0.788 842 N N -0.675 117.997 118.700 -0.047 0.000 2.166 842 N HA -0.116 4.621 4.740 -0.005 0.000 0.186 842 N C 1.742 177.215 175.510 -0.063 0.000 1.019 842 N CA 0.886 53.859 53.050 -0.127 0.000 0.856 842 N CB -0.344 37.947 38.487 -0.326 0.000 0.993 842 N HN 0.062 nan 8.380 nan 0.000 0.426 843 A N 1.340 124.137 122.820 -0.039 0.000 1.898 843 A HA -0.048 4.269 4.320 -0.005 0.000 0.216 843 A C 2.138 179.733 177.584 0.019 0.000 1.181 843 A CA 0.856 52.896 52.037 0.005 0.000 0.620 843 A CB -0.608 18.408 19.000 0.027 0.000 0.819 843 A HN 0.145 nan 8.150 nan 0.000 0.442 844 L N -0.667 120.547 121.223 -0.015 0.000 2.046 844 L HA -0.196 4.141 4.340 -0.005 0.000 0.208 844 L C 2.635 179.525 176.870 0.033 0.000 1.077 844 L CA 1.957 56.811 54.840 0.024 0.000 0.747 844 L CB -0.490 41.538 42.059 -0.052 0.000 0.896 844 L HN 0.473 nan 8.230 nan 0.000 0.432 845 K N 0.948 121.344 120.400 -0.007 0.000 2.026 845 K HA -0.249 4.067 4.320 -0.005 0.000 0.208 845 K C 2.249 178.860 176.600 0.019 0.000 1.048 845 K CA 1.583 57.873 56.287 0.004 0.000 0.929 845 K CB -0.015 32.471 32.500 -0.022 0.000 0.713 845 K HN 0.062 nan 8.250 nan 0.000 0.439 846 K N 0.636 121.043 120.400 0.012 0.000 2.074 846 K HA -0.179 4.138 4.320 -0.005 0.000 0.209 846 K C 1.927 178.551 176.600 0.041 0.000 1.048 846 K CA 1.656 57.956 56.287 0.021 0.000 0.926 846 K CB 0.003 32.514 32.500 0.019 0.000 0.713 846 K HN 0.125 nan 8.250 nan 0.000 0.444 847 R N -0.915 119.622 120.500 0.062 0.000 2.280 847 R HA 0.011 4.347 4.340 -0.005 0.000 0.207 847 R C 1.009 177.374 176.300 0.109 0.000 1.043 847 R CA 0.618 56.770 56.100 0.086 0.000 1.006 847 R CB 0.043 30.413 30.300 0.116 0.000 0.885 847 R HN 0.528 nan 8.270 nan 0.000 0.467 848 G N 0.906 109.767 108.800 0.101 0.000 2.176 848 G HA2 -0.258 3.699 3.960 -0.005 0.000 0.252 848 G HA3 -0.258 3.699 3.960 -0.005 0.000 0.252 848 G C 0.501 175.537 174.900 0.226 0.000 1.024 848 G CA 0.398 45.571 45.100 0.122 0.000 0.755 848 G HN 0.353 nan 8.290 nan 0.000 0.507 849 V N -2.053 117.991 119.914 0.218 0.000 3.214 849 V HA 0.441 4.558 4.120 -0.005 0.000 0.330 849 V C 1.139 177.372 176.094 0.232 0.000 1.403 849 V CA 0.954 63.415 62.300 0.269 0.000 1.143 849 V CB 0.670 32.685 31.823 0.321 0.000 1.098 849 V HN 0.335 nan 8.190 nan 0.000 0.463 850 D N -0.943 119.536 120.400 0.131 0.000 2.363 850 D HA 0.058 4.695 4.640 -0.005 0.000 0.214 850 D C 0.212 176.540 176.300 0.046 0.000 1.093 850 D CA -0.006 54.025 54.000 0.052 0.000 0.837 850 D CB 0.167 40.966 40.800 -0.002 0.000 0.948 850 D HN 0.453 nan 8.370 nan 0.000 0.507 851 D N 1.612 122.062 120.400 0.083 0.000 2.443 851 D HA 0.146 4.783 4.640 -0.005 0.000 0.221 851 D C -1.583 174.759 176.300 0.071 0.000 1.097 851 D CA -2.169 51.873 54.000 0.070 0.000 0.865 851 D CB 1.948 42.797 40.800 0.082 0.000 1.034 851 D HN -0.072 nan 8.370 nan 0.000 0.511 852 P HA -0.116 nan 4.420 nan 0.000 0.226 852 P C 1.151 178.478 177.300 0.045 0.000 1.153 852 P CA 0.628 63.751 63.100 0.037 0.000 0.777 852 P CB 0.174 31.889 31.700 0.025 0.000 0.794 853 S N -0.534 115.200 115.700 0.058 0.000 2.436 853 S HA 0.003 4.470 4.470 -0.005 0.000 0.228 853 S C 1.824 176.492 174.600 0.113 0.000 1.014 853 S CA 0.615 58.856 58.200 0.070 0.000 0.950 853 S CB -0.570 62.668 63.200 0.064 0.000 0.784 853 S HN 0.166 nan 8.310 nan 0.000 0.504 854 K N -0.225 120.257 120.400 0.136 0.000 2.276 854 K HA 0.333 4.649 4.320 -0.005 0.000 0.198 854 K C -0.259 176.471 176.600 0.217 0.000 1.052 854 K CA 0.185 56.614 56.287 0.237 0.000 0.984 854 K CB 0.138 32.761 32.500 0.204 0.000 0.836 854 K HN 0.271 nan 8.250 nan 0.000 0.490 855 L N 2.880 124.149 121.223 0.077 0.000 2.433 855 L HA 0.350 4.687 4.340 -0.005 0.000 0.256 855 L C -2.856 173.969 176.870 -0.075 0.000 1.063 855 L CA -2.364 52.413 54.840 -0.105 0.000 0.922 855 L CB 1.135 43.021 42.059 -0.288 0.000 1.238 855 L HN -0.149 nan 8.230 nan 0.000 0.466 856 P HA 0.407 nan 4.420 nan 0.000 0.279 856 P C 0.337 177.560 177.300 -0.129 0.000 1.276 856 P CA 0.145 63.210 63.100 -0.058 0.000 0.801 856 P CB 1.015 32.697 31.700 -0.029 0.000 1.127 857 G N -0.491 108.210 108.800 -0.165 0.000 2.246 857 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.273 857 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.273 857 G C -0.502 173.896 174.900 -0.837 0.000 1.055 857 G CA -0.273 44.577 45.100 -0.416 0.000 0.851 857 G HN 0.508 nan 8.290 nan 0.000 0.500 858 F N 1.381 120.797 119.950 -0.889 0.000 2.363 858 F HA 0.613 5.137 4.527 -0.005 0.000 0.366 858 F C 0.834 176.260 175.800 -0.622 0.000 1.083 858 F CA -2.803 54.787 58.000 -0.683 0.000 1.176 858 F CB 0.116 38.894 39.000 -0.370 0.000 1.432 858 F HN 0.159 nan 8.300 nan 0.000 0.482 859 Y N 2.892 123.122 120.300 -0.118 0.000 2.420 859 Y HA -0.175 4.373 4.550 -0.004 0.000 0.292 859 Y C 2.103 177.733 175.900 -0.449 0.000 1.119 859 Y CA 0.955 58.863 58.100 -0.321 0.000 1.229 859 Y CB -0.466 37.775 38.460 -0.365 0.000 1.026 859 Y HN 0.577 nan 8.280 nan 0.000 0.554 860 Y N 1.950 121.899 120.300 -0.586 0.000 2.114 860 Y HA -0.332 4.215 4.550 -0.006 0.000 0.282 860 Y C 2.710 178.428 175.900 -0.302 0.000 1.165 860 Y CA 1.964 59.926 58.100 -0.230 0.000 1.148 860 Y CB -0.416 38.054 38.460 0.017 0.000 0.972 860 Y HN 0.000 nan 8.280 nan 0.000 0.504 861 R N 0.262 120.201 120.500 -0.935 0.000 2.080 861 R HA -0.189 4.147 4.340 -0.005 0.000 0.236 861 R C 1.769 177.777 176.300 -0.486 0.000 1.137 861 R CA 2.311 57.828 56.100 -0.970 0.000 0.943 861 R CB -0.529 28.955 30.300 -1.360 0.000 0.846 861 R HN 0.365 nan 8.270 nan 0.000 0.431 862 D N 0.482 120.692 120.400 -0.316 0.000 2.097 862 D HA -0.132 4.505 4.640 -0.005 0.000 0.197 862 D C 1.576 177.857 176.300 -0.032 0.000 0.984 862 D CA 1.370 55.303 54.000 -0.111 0.000 0.826 862 D CB -0.413 40.393 40.800 0.011 0.000 0.973 862 D HN 0.325 nan 8.370 nan 0.000 0.460 863 D N 0.052 120.465 120.400 0.022 0.000 2.123 863 D HA -0.044 4.593 4.640 -0.005 0.000 0.200 863 D C 2.205 178.573 176.300 0.113 0.000 0.976 863 D CA 1.237 55.305 54.000 0.113 0.000 0.831 863 D CB -0.742 40.204 40.800 0.243 0.000 0.974 863 D HN 0.243 nan 8.370 nan 0.000 0.469 864 G N 1.031 109.844 108.800 0.022 0.000 2.446 864 G HA2 -0.230 3.727 3.960 -0.005 0.000 0.217 864 G HA3 -0.230 3.727 3.960 -0.005 0.000 0.217 864 G C 1.742 176.704 174.900 0.103 0.000 1.168 864 G CA 0.420 45.582 45.100 0.103 0.000 0.771 864 G HN 0.249 nan 8.290 nan 0.000 0.551 865 L N 0.521 121.707 121.223 -0.063 0.000 2.093 865 L HA -0.025 4.311 4.340 -0.005 0.000 0.208 865 L C 3.416 180.350 176.870 0.106 0.000 1.085 865 L CA 0.867 55.687 54.840 -0.033 0.000 0.755 865 L CB -0.368 41.623 42.059 -0.114 0.000 0.904 865 L HN 0.328 nan 8.230 nan 0.000 0.435 866 A N 0.202 123.082 122.820 0.099 0.000 1.877 866 A HA -0.171 4.146 4.320 -0.005 0.000 0.216 866 A C 2.214 179.907 177.584 0.181 0.000 1.186 866 A CA 1.453 53.563 52.037 0.122 0.000 0.620 866 A CB -0.650 18.407 19.000 0.095 0.000 0.822 866 A HN 0.352 nan 8.150 nan 0.000 0.443 867 L N -1.726 119.642 121.223 0.242 0.000 2.109 867 L HA -0.167 4.170 4.340 -0.005 0.000 0.207 867 L C 2.595 179.696 176.870 0.385 0.000 1.086 867 L CA 1.116 56.145 54.840 0.315 0.000 0.760 867 L CB -0.497 41.785 42.059 0.372 0.000 0.910 867 L HN 0.779 nan 8.230 nan 0.000 0.437 868 W N 1.563 122.975 121.300 0.187 0.000 2.333 868 W HA -0.255 4.402 4.660 -0.006 0.000 0.316 868 W C 2.335 178.868 176.519 0.023 0.000 1.215 868 W CA 2.068 59.400 57.345 -0.023 0.000 1.278 868 W CB -0.149 29.095 29.460 -0.361 0.000 1.154 868 W HN 0.257 nan 8.180 nan 0.000 0.486 869 E N 0.847 121.189 120.200 0.237 0.000 2.077 869 E HA -0.183 4.164 4.350 -0.005 0.000 0.193 869 E C 2.194 178.848 176.600 0.089 0.000 0.989 869 E CA 1.769 58.259 56.400 0.151 0.000 0.800 869 E CB -0.539 29.262 29.700 0.168 0.000 0.746 869 E HN 0.234 nan 8.360 nan 0.000 0.452 870 A N 1.101 124.018 122.820 0.161 0.000 1.902 870 A HA -0.139 4.178 4.320 -0.005 0.000 0.217 870 A C 2.400 180.137 177.584 0.256 0.000 1.181 870 A CA 1.396 53.584 52.037 0.253 0.000 0.623 870 A CB -0.616 18.568 19.000 0.306 0.000 0.818 870 A HN 0.305 nan 8.150 nan 0.000 0.443 871 I N -0.834 119.835 120.570 0.165 0.000 2.252 871 I HA -0.224 3.943 4.170 -0.005 0.000 0.245 871 I C 2.580 178.572 176.117 -0.209 0.000 1.102 871 I CA 1.640 62.913 61.300 -0.044 0.000 1.385 871 I CB -0.303 37.693 38.000 -0.008 0.000 1.064 871 I HN 0.515 nan 8.210 nan 0.000 0.414 872 E N 0.611 120.626 120.200 -0.308 0.000 2.077 872 E HA -0.220 4.127 4.350 -0.005 0.000 0.193 872 E C 2.066 178.566 176.600 -0.166 0.000 0.989 872 E CA 1.903 58.106 56.400 -0.327 0.000 0.800 872 E CB 0.072 29.551 29.700 -0.369 0.000 0.746 872 E HN 0.394 nan 8.360 nan 0.000 0.452 873 T N 0.787 115.298 114.554 -0.071 0.000 2.708 873 T HA -0.172 4.174 4.350 -0.005 0.000 0.266 873 T C 1.390 176.074 174.700 -0.028 0.000 1.037 873 T CA 1.361 63.452 62.100 -0.015 0.000 1.146 873 T CB -0.485 68.416 68.868 0.057 0.000 0.865 873 T HN 0.253 nan 8.240 nan 0.000 0.435 874 F N 1.858 121.671 119.950 -0.228 0.000 2.069 874 F HA -0.064 4.460 4.527 -0.004 0.000 0.298 874 F C 1.999 177.629 175.800 -0.283 0.000 1.113 874 F CA 0.907 58.704 58.000 -0.338 0.000 1.214 874 F CB -0.734 37.727 39.000 -0.898 0.000 0.978 874 F HN 0.101 nan 8.300 nan 0.000 0.474 875 I N 0.332 120.588 120.570 -0.524 0.000 2.163 875 I HA -0.263 3.904 4.170 -0.005 0.000 0.243 875 I C 2.777 178.672 176.117 -0.371 0.000 1.085 875 I CA 1.495 62.469 61.300 -0.542 0.000 1.347 875 I CB -1.419 36.373 38.000 -0.347 0.000 1.044 875 I HN 0.336 nan 8.210 nan 0.000 0.408 876 G N 0.343 108.992 108.800 -0.250 0.000 2.440 876 G HA2 -0.250 3.707 3.960 -0.005 0.000 0.218 876 G HA3 -0.250 3.707 3.960 -0.005 0.000 0.218 876 G C 1.525 176.332 174.900 -0.156 0.000 1.154 876 G CA 0.757 45.758 45.100 -0.166 0.000 0.767 876 G HN 0.440 nan 8.290 nan 0.000 0.552 877 E N -0.146 119.942 120.200 -0.185 0.000 2.072 877 E HA -0.043 4.304 4.350 -0.005 0.000 0.191 877 E C 2.546 179.027 176.600 -0.197 0.000 0.985 877 E CA 0.392 56.700 56.400 -0.154 0.000 0.801 877 E CB -0.053 29.585 29.700 -0.103 0.000 0.750 877 E HN 0.312 nan 8.360 nan 0.000 0.452 878 I N 1.193 121.559 120.570 -0.340 0.000 2.179 878 I HA -0.256 3.911 4.170 -0.005 0.000 0.242 878 I C 2.431 178.570 176.117 0.038 0.000 1.088 878 I CA 1.303 62.457 61.300 -0.243 0.000 1.357 878 I CB -0.785 36.916 38.000 -0.498 0.000 1.051 878 I HN 0.166 nan 8.210 nan 0.000 0.409 879 I N 1.108 121.669 120.570 -0.015 0.000 2.208 879 I HA -0.298 3.869 4.170 -0.005 0.000 0.245 879 I C 2.687 178.910 176.117 0.177 0.000 1.097 879 I CA 1.512 62.889 61.300 0.129 0.000 1.363 879 I CB -0.385 37.577 38.000 -0.063 0.000 1.051 879 I HN 0.143 nan 8.210 nan 0.000 0.413 880 A N 0.567 123.405 122.820 0.030 0.000 2.015 880 A HA -0.126 4.191 4.320 -0.005 0.000 0.219 880 A C 2.235 179.788 177.584 -0.052 0.000 1.163 880 A CA 1.254 53.292 52.037 0.002 0.000 0.646 880 A CB -0.699 18.277 19.000 -0.040 0.000 0.806 880 A HN 0.420 nan 8.150 nan 0.000 0.448 881 I N -2.163 118.327 120.570 -0.132 0.000 2.286 881 I HA -0.187 3.980 4.170 -0.005 0.000 0.245 881 I C 1.892 177.697 176.117 -0.520 0.000 1.104 881 I CA 1.325 62.385 61.300 -0.401 0.000 1.397 881 I CB -0.224 37.390 38.000 -0.644 0.000 1.072 881 I HN 0.336 nan 8.210 nan 0.000 0.417 882 F N -1.196 118.721 119.950 -0.054 0.000 2.656 882 F HA 0.136 4.660 4.527 -0.006 0.000 0.291 882 F C 0.173 175.817 175.800 -0.259 0.000 1.122 882 F CA -0.135 57.752 58.000 -0.188 0.000 1.427 882 F CB 0.041 38.869 39.000 -0.287 0.000 1.125 882 F HN -0.152 nan 8.300 nan 0.000 0.583 883 Y N 0.896 121.257 120.300 0.103 0.000 2.328 883 Y HA 0.349 4.896 4.550 -0.006 0.000 0.333 883 Y C 0.974 176.901 175.900 0.045 0.000 0.958 883 Y CA -1.234 56.920 58.100 0.091 0.000 1.167 883 Y CB 1.042 39.548 38.460 0.077 0.000 1.151 883 Y HN -0.254 nan 8.280 nan 0.000 0.470 884 K N 2.018 122.526 120.400 0.181 0.000 2.400 884 K HA 0.121 4.438 4.320 -0.005 0.000 0.194 884 K C -0.400 176.254 176.600 0.090 0.000 1.033 884 K CA 0.357 56.701 56.287 0.095 0.000 1.021 884 K CB -0.135 32.402 32.500 0.061 0.000 0.808 884 K HN 0.905 nan 8.250 nan 0.000 0.505 885 N N -1.761 117.014 118.700 0.125 0.000 3.261 885 N HA 0.069 4.806 4.740 -0.005 0.000 0.248 885 N C -0.420 175.152 175.510 0.102 0.000 1.498 885 N CA -0.570 52.531 53.050 0.086 0.000 0.884 885 N CB 0.059 38.582 38.487 0.060 0.000 1.428 885 N HN -0.396 nan 8.380 nan 0.000 0.517 886 D N -0.582 119.856 120.400 0.064 0.000 2.178 886 D HA -0.073 4.564 4.640 -0.005 0.000 0.202 886 D C 0.446 176.789 176.300 0.071 0.000 0.974 886 D CA 1.002 55.037 54.000 0.058 0.000 0.841 886 D CB -0.210 40.614 40.800 0.040 0.000 0.953 886 D HN 0.489 nan 8.370 nan 0.000 0.478 887 D N 0.843 121.274 120.400 0.051 0.000 2.144 887 D HA -0.129 4.508 4.640 -0.005 0.000 0.199 887 D C 1.441 177.749 176.300 0.013 0.000 0.984 887 D CA 0.829 54.837 54.000 0.013 0.000 0.834 887 D CB -0.133 40.654 40.800 -0.022 0.000 0.955 887 D HN 0.139 nan 8.370 nan 0.000 0.465 888 D N -0.160 120.313 120.400 0.120 0.000 2.144 888 D HA -0.100 4.537 4.640 -0.005 0.000 0.199 888 D C 2.252 178.857 176.300 0.509 0.000 0.984 888 D CA 0.352 54.542 54.000 0.316 0.000 0.834 888 D CB -0.122 40.966 40.800 0.480 0.000 0.955 888 D HN 0.079 nan 8.370 nan 0.000 0.465 889 V N 0.876 121.030 119.914 0.400 0.000 2.307 889 V HA -0.219 3.898 4.120 -0.005 0.000 0.245 889 V C 2.274 178.523 176.094 0.259 0.000 1.045 889 V CA 1.518 63.991 62.300 0.288 0.000 1.024 889 V CB -0.335 31.486 31.823 -0.003 0.000 0.651 889 V HN 0.169 nan 8.190 nan 0.000 0.449 890 K N -0.059 120.435 120.400 0.157 0.000 2.103 890 K HA -0.148 4.168 4.320 -0.005 0.000 0.207 890 K C 2.260 178.910 176.600 0.083 0.000 1.048 890 K CA 1.395 57.748 56.287 0.111 0.000 0.930 890 K CB -0.229 32.301 32.500 0.050 0.000 0.716 890 K HN 0.382 nan 8.250 nan 0.000 0.444 891 R N 0.796 121.298 120.500 0.003 0.000 2.276 891 R HA -0.033 4.304 4.340 -0.005 0.000 0.203 891 R C 0.271 176.661 176.300 0.149 0.000 1.017 891 R CA 0.280 56.300 56.100 -0.132 0.000 1.010 891 R CB -0.017 29.864 30.300 -0.698 0.000 0.900 891 R HN 0.101 nan 8.270 nan 0.000 0.469 892 D N 1.335 121.977 120.400 0.403 0.000 2.416 892 D HA -0.030 4.607 4.640 -0.005 0.000 0.240 892 D C 0.440 176.958 176.300 0.363 0.000 1.250 892 D CA -0.149 54.170 54.000 0.533 0.000 0.967 892 D CB 0.136 41.314 40.800 0.630 0.000 1.059 892 D HN 0.228 nan 8.370 nan 0.000 0.512 893 N N 2.404 121.279 118.700 0.292 0.000 2.289 893 N HA -0.184 4.553 4.740 -0.005 0.000 0.184 893 N C 1.119 176.764 175.510 0.224 0.000 1.016 893 N CA 0.831 54.010 53.050 0.214 0.000 0.872 893 N CB 0.019 38.601 38.487 0.159 0.000 0.973 893 N HN 0.423 nan 8.380 nan 0.000 0.433 894 E N -0.011 120.337 120.200 0.247 0.000 2.046 894 E HA -0.087 4.260 4.350 -0.005 0.000 0.190 894 E C 1.619 178.355 176.600 0.227 0.000 0.982 894 E CA 0.651 57.173 56.400 0.204 0.000 0.800 894 E CB -0.044 29.758 29.700 0.170 0.000 0.756 894 E HN 0.304 nan 8.360 nan 0.000 0.449 895 I N 1.380 122.115 120.570 0.275 0.000 2.394 895 I HA -0.244 3.923 4.170 -0.005 0.000 0.251 895 I C 2.017 178.459 176.117 0.541 0.000 1.136 895 I CA 1.276 62.788 61.300 0.353 0.000 1.425 895 I CB -0.027 38.167 38.000 0.323 0.000 1.079 895 I HN 0.025 nan 8.210 nan 0.000 0.425 896 Q N -0.247 119.796 119.800 0.405 0.000 2.046 896 Q HA -0.119 4.218 4.340 -0.005 0.000 0.200 896 Q C 2.434 178.601 176.000 0.278 0.000 0.975 896 Q CA 1.806 57.796 55.803 0.312 0.000 0.836 896 Q CB -0.736 28.126 28.738 0.208 0.000 0.896 896 Q HN 0.433 nan 8.270 nan 0.000 0.428 897 S N 0.560 116.421 115.700 0.269 0.000 2.383 897 S HA -0.167 4.300 4.470 -0.005 0.000 0.229 897 S C 1.359 176.154 174.600 0.325 0.000 1.030 897 S CA 1.149 59.512 58.200 0.271 0.000 1.002 897 S CB -0.389 62.948 63.200 0.229 0.000 0.829 897 S HN 0.521 nan 8.310 nan 0.000 0.467 898 W N 1.630 123.022 121.300 0.154 0.000 2.354 898 W HA -0.110 4.546 4.660 -0.005 0.000 0.315 898 W C 1.869 178.456 176.519 0.113 0.000 1.206 898 W CA 0.969 58.395 57.345 0.136 0.000 1.290 898 W CB -0.544 28.994 29.460 0.130 0.000 1.152 898 W HN 0.225 nan 8.180 nan 0.000 0.489 899 I N -0.368 120.306 120.570 0.175 0.000 2.353 899 I HA -0.199 3.968 4.170 -0.005 0.000 0.248 899 I C 2.288 178.290 176.117 -0.191 0.000 1.119 899 I CA 1.485 62.657 61.300 -0.214 0.000 1.417 899 I CB -1.126 36.676 38.000 -0.330 0.000 1.078 899 I HN 0.178 nan 8.210 nan 0.000 0.421 900 Y N 0.864 121.096 120.300 -0.113 0.000 2.224 900 Y HA -0.262 4.284 4.550 -0.005 0.000 0.289 900 Y C 2.247 178.123 175.900 -0.041 0.000 1.146 900 Y CA 2.030 60.089 58.100 -0.068 0.000 1.182 900 Y CB -0.370 38.076 38.460 -0.024 0.000 0.983 900 Y HN 0.243 nan 8.280 nan 0.000 0.524 901 D N -0.642 119.747 120.400 -0.017 0.000 2.117 901 D HA -0.163 4.474 4.640 -0.005 0.000 0.197 901 D C 2.195 178.352 176.300 -0.238 0.000 0.987 901 D CA 1.505 55.495 54.000 -0.017 0.000 0.829 901 D CB -0.108 40.831 40.800 0.232 0.000 0.961 901 D HN 0.275 nan 8.370 nan 0.000 0.460 902 V N -0.223 119.449 119.914 -0.403 0.000 2.379 902 V HA -0.204 3.913 4.120 -0.005 0.000 0.245 902 V C 2.312 178.068 176.094 -0.564 0.000 1.044 902 V CA 1.936 63.843 62.300 -0.655 0.000 1.036 902 V CB -0.727 30.314 31.823 -1.304 0.000 0.664 902 V HN 0.335 nan 8.190 nan 0.000 0.453 903 H N 0.898 119.632 119.070 -0.560 0.000 2.319 903 H HA -0.220 4.333 4.556 -0.005 0.000 0.299 903 H C 2.205 177.266 175.328 -0.445 0.000 1.092 903 H CA 2.467 58.250 56.048 -0.443 0.000 1.302 903 H CB 0.090 29.607 29.762 -0.409 0.000 1.373 903 H HN 0.303 nan 8.280 nan 0.000 0.497 904 K N -0.271 119.747 120.400 -0.636 0.000 2.202 904 K HA 0.098 4.415 4.320 -0.005 0.000 0.201 904 K C 1.105 177.401 176.600 -0.507 0.000 1.051 904 K CA 1.576 57.500 56.287 -0.605 0.000 0.977 904 K CB 0.307 32.370 32.500 -0.728 0.000 0.792 904 K HN 0.484 nan 8.250 nan 0.000 0.469 905 N N -1.479 116.852 118.700 -0.614 0.000 2.210 905 N HA 0.168 4.905 4.740 -0.005 0.000 0.203 905 N C 0.989 175.852 175.510 -1.078 0.000 1.175 905 N CA 0.273 52.820 53.050 -0.839 0.000 0.894 905 N CB 1.175 38.968 38.487 -1.156 0.000 1.041 905 N HN 0.218 nan 8.380 nan 0.000 0.506 906 G N 0.004 108.316 108.800 -0.813 0.000 2.760 906 G HA2 -0.020 3.937 3.960 -0.005 0.000 0.214 906 G HA3 -0.020 3.937 3.960 -0.005 0.000 0.214 906 G C -0.512 174.460 174.900 0.121 0.000 1.212 906 G CA -0.135 44.655 45.100 -0.517 0.000 0.858 906 G HN 0.131 nan 8.290 nan 0.000 0.611 907 W N 2.992 124.179 121.300 -0.188 0.000 2.060 907 W HA 0.610 5.266 4.660 -0.006 0.000 0.347 907 W C -0.044 176.476 176.519 0.002 0.000 0.831 907 W CA -1.818 55.557 57.345 0.049 0.000 1.590 907 W CB -0.443 29.039 29.460 0.037 0.000 1.737 907 W HN -0.015 nan 8.180 nan 0.000 0.329 908 R N 0.812 121.401 120.500 0.149 0.000 2.401 908 R HA 0.233 4.570 4.340 -0.005 0.000 0.299 908 R C 0.086 176.357 176.300 -0.048 0.000 1.064 908 R CA -0.348 55.706 56.100 -0.078 0.000 1.000 908 R CB 0.917 31.076 30.300 -0.235 0.000 0.973 908 R HN -0.081 nan 8.270 nan 0.000 0.438 909 V N 5.111 124.958 119.914 -0.112 0.000 2.341 909 V HA 0.014 4.131 4.120 -0.005 0.000 0.248 909 V C 0.299 176.223 176.094 -0.283 0.000 1.107 909 V CA -0.048 62.133 62.300 -0.200 0.000 1.069 909 V CB -0.489 31.204 31.823 -0.217 0.000 1.177 909 V HN 0.652 nan 8.190 nan 0.000 0.492 910 N N 5.054 123.441 118.700 -0.522 0.000 2.530 910 N HA 0.492 5.229 4.740 -0.005 0.000 0.283 910 N C -2.636 172.795 175.510 -0.131 0.000 1.238 910 N CA -2.023 50.800 53.050 -0.379 0.000 0.971 910 N CB 0.892 39.098 38.487 -0.468 0.000 1.195 910 N HN 0.176 nan 8.380 nan 0.000 0.583 911 P HA 0.098 nan 4.420 nan 0.000 0.263 911 P C 0.479 177.856 177.300 0.127 0.000 1.195 911 P CA 0.924 64.040 63.100 0.025 0.000 0.762 911 P CB 0.173 31.877 31.700 0.006 0.000 0.799 912 G N 1.611 110.461 108.800 0.083 0.000 2.175 912 G HA2 -0.201 3.756 3.960 -0.005 0.000 0.244 912 G HA3 -0.201 3.756 3.960 -0.005 0.000 0.244 912 G C 0.092 175.008 174.900 0.027 0.000 0.982 912 G CA -0.393 44.740 45.100 0.055 0.000 0.641 912 G HN 0.656 nan 8.290 nan 0.000 0.527 913 H N 1.004 120.016 119.070 -0.096 0.000 2.502 913 H HA 0.343 4.896 4.556 -0.005 0.000 0.327 913 H C 0.399 175.581 175.328 -0.245 0.000 1.099 913 H CA -0.649 55.297 56.048 -0.170 0.000 1.323 913 H CB 0.931 30.582 29.762 -0.184 0.000 1.450 913 H HN 0.198 nan 8.280 nan 0.000 0.502 914 Q N 1.537 121.215 119.800 -0.203 0.000 2.492 914 Q HA -0.031 4.306 4.340 -0.005 0.000 0.238 914 Q C -0.120 175.640 176.000 -0.401 0.000 1.045 914 Q CA 0.086 55.756 55.803 -0.222 0.000 0.934 914 Q CB 0.589 29.231 28.738 -0.161 0.000 1.276 914 Q HN 0.640 nan 8.270 nan 0.000 0.521 915 D N -0.152 120.094 120.400 -0.256 0.000 2.472 915 D HA -0.087 4.550 4.640 -0.005 0.000 0.237 915 D C 0.410 176.559 176.300 -0.252 0.000 1.141 915 D CA 0.334 54.187 54.000 -0.246 0.000 0.875 915 D CB 0.531 41.283 40.800 -0.080 0.000 1.192 915 D HN 0.331 nan 8.370 nan 0.000 0.450 916 H N 2.678 121.773 119.070 0.042 0.000 2.551 916 H HA 0.218 4.771 4.556 -0.005 0.000 0.271 916 H C 1.503 176.979 175.328 0.246 0.000 0.984 916 H CA 0.625 56.752 56.048 0.131 0.000 1.164 916 H CB 0.635 30.513 29.762 0.192 0.000 1.437 916 H HN 0.682 nan 8.280 nan 0.000 0.550 917 G N 1.120 110.060 108.800 0.233 0.000 2.155 917 G HA2 -0.286 3.671 3.960 -0.005 0.000 0.257 917 G HA3 -0.286 3.671 3.960 -0.005 0.000 0.257 917 G C 0.195 175.209 174.900 0.190 0.000 0.983 917 G CA 0.483 45.707 45.100 0.206 0.000 0.676 917 G HN 0.244 nan 8.290 nan 0.000 0.528 918 V N 2.574 122.598 119.914 0.183 0.000 2.385 918 V HA 0.411 4.528 4.120 -0.005 0.000 0.269 918 V C -1.188 174.962 176.094 0.093 0.000 1.043 918 V CA -1.516 60.827 62.300 0.073 0.000 0.906 918 V CB 1.242 33.025 31.823 -0.067 0.000 0.995 918 V HN 0.203 nan 8.190 nan 0.000 0.467 919 P HA 0.177 nan 4.420 nan 0.000 0.272 919 P C 0.408 177.519 177.300 -0.314 0.000 1.223 919 P CA -0.235 62.772 63.100 -0.154 0.000 0.784 919 P CB 1.103 32.671 31.700 -0.221 0.000 0.923 920 A N 1.507 124.047 122.820 -0.468 0.000 2.169 920 A HA 0.209 4.526 4.320 -0.005 0.000 0.212 920 A C 0.789 178.267 177.584 -0.176 0.000 1.153 920 A CA 1.076 52.791 52.037 -0.538 0.000 0.756 920 A CB -0.500 18.139 19.000 -0.601 0.000 0.813 920 A HN 0.700 nan 8.150 nan 0.000 0.471 921 S N -2.433 113.124 115.700 -0.238 0.000 2.611 921 S HA 0.693 5.160 4.470 -0.005 0.000 0.268 921 S C -1.078 173.376 174.600 -0.243 0.000 1.156 921 S CA -0.779 57.322 58.200 -0.165 0.000 0.817 921 S CB 0.549 63.717 63.200 -0.054 0.000 1.122 921 S HN 0.118 nan 8.310 nan 0.000 0.466 922 F N 0.898 120.898 119.950 0.083 0.000 2.444 922 F HA 0.535 5.059 4.527 -0.005 0.000 0.342 922 F C 1.134 176.963 175.800 0.047 0.000 1.121 922 F CA -0.548 57.495 58.000 0.072 0.000 0.997 922 F CB 2.033 41.084 39.000 0.086 0.000 1.130 922 F HN 0.719 nan 8.300 nan 0.000 0.454 923 E N 0.697 121.047 120.200 0.250 0.000 2.431 923 E HA 0.084 4.431 4.350 -0.005 0.000 0.200 923 E C -0.218 176.448 176.600 0.109 0.000 0.995 923 E CA 0.086 56.571 56.400 0.141 0.000 0.915 923 E CB 0.674 30.430 29.700 0.093 0.000 0.930 923 E HN 0.479 nan 8.360 nan 0.000 0.496 924 S N -1.716 114.050 115.700 0.109 0.000 2.596 924 S HA 0.424 4.891 4.470 -0.005 0.000 0.270 924 S C 0.331 174.902 174.600 -0.048 0.000 1.155 924 S CA -0.940 57.282 58.200 0.036 0.000 0.827 924 S CB 1.648 64.875 63.200 0.045 0.000 1.130 924 S HN -0.046 nan 8.310 nan 0.000 0.467 925 R N 1.061 121.513 120.500 -0.081 0.000 2.096 925 R HA -0.098 4.239 4.340 -0.005 0.000 0.235 925 R C 2.237 178.461 176.300 -0.127 0.000 1.127 925 R CA 1.814 57.817 56.100 -0.161 0.000 0.968 925 R CB -0.449 29.791 30.300 -0.100 0.000 0.861 925 R HN 0.939 nan 8.270 nan 0.000 0.440 926 E N 1.103 121.275 120.200 -0.046 0.000 2.110 926 E HA -0.277 4.070 4.350 -0.005 0.000 0.193 926 E C 2.000 178.611 176.600 0.018 0.000 0.988 926 E CA 1.096 57.491 56.400 -0.008 0.000 0.804 926 E CB -0.216 29.500 29.700 0.027 0.000 0.745 926 E HN 0.365 nan 8.360 nan 0.000 0.458 927 Q N 0.261 120.088 119.800 0.046 0.000 2.079 927 Q HA -0.157 4.179 4.340 -0.005 0.000 0.200 927 Q C 2.343 178.392 176.000 0.081 0.000 0.974 927 Q CA 1.219 57.110 55.803 0.146 0.000 0.840 927 Q CB -0.042 28.854 28.738 0.263 0.000 0.898 927 Q HN 0.378 nan 8.270 nan 0.000 0.430 928 L N 1.388 122.466 121.223 -0.242 0.000 2.046 928 L HA -0.187 4.150 4.340 -0.005 0.000 0.208 928 L C 2.261 178.938 176.870 -0.321 0.000 1.077 928 L CA 1.995 56.422 54.840 -0.688 0.000 0.747 928 L CB -0.579 40.971 42.059 -0.848 0.000 0.896 928 L HN 0.103 nan 8.230 nan 0.000 0.432 929 K N -0.567 119.708 120.400 -0.208 0.000 2.063 929 K HA -0.269 4.048 4.320 -0.005 0.000 0.208 929 K C 2.169 178.728 176.600 -0.067 0.000 1.048 929 K CA 1.899 58.098 56.287 -0.147 0.000 0.928 929 K CB -0.187 32.242 32.500 -0.117 0.000 0.713 929 K HN 0.569 nan 8.250 nan 0.000 0.442 930 E N -0.083 120.144 120.200 0.044 0.000 2.072 930 E HA -0.142 4.205 4.350 -0.005 0.000 0.191 930 E C 1.805 178.513 176.600 0.180 0.000 0.985 930 E CA 1.071 57.571 56.400 0.167 0.000 0.801 930 E CB 0.197 30.064 29.700 0.279 0.000 0.750 930 E HN 0.135 nan 8.360 nan 0.000 0.452 931 V N 1.265 121.296 119.914 0.196 0.000 2.358 931 V HA -0.231 3.886 4.120 -0.005 0.000 0.246 931 V C 2.426 178.588 176.094 0.112 0.000 1.047 931 V CA 1.320 63.756 62.300 0.227 0.000 1.035 931 V CB -0.371 31.735 31.823 0.473 0.000 0.658 931 V HN 0.334 nan 8.190 nan 0.000 0.452 932 L N -0.407 120.847 121.223 0.053 0.000 2.093 932 L HA -0.156 4.180 4.340 -0.005 0.000 0.208 932 L C 2.628 179.449 176.870 -0.082 0.000 1.085 932 L CA 1.818 56.652 54.840 -0.011 0.000 0.755 932 L CB -0.955 41.039 42.059 -0.108 0.000 0.904 932 L HN 0.350 nan 8.230 nan 0.000 0.435 933 T N -0.881 113.566 114.554 -0.178 0.000 2.708 933 T HA -0.168 4.179 4.350 -0.005 0.000 0.266 933 T C 2.153 176.662 174.700 -0.319 0.000 1.037 933 T CA 1.673 63.529 62.100 -0.407 0.000 1.146 933 T CB -0.151 68.271 68.868 -0.744 0.000 0.865 933 T HN 0.274 nan 8.240 nan 0.000 0.435 934 S N 1.454 117.122 115.700 -0.054 0.000 2.365 934 S HA -0.116 4.351 4.470 -0.005 0.000 0.225 934 S C 1.950 176.675 174.600 0.208 0.000 1.039 934 S CA 1.110 59.485 58.200 0.293 0.000 1.033 934 S CB -0.595 62.811 63.200 0.344 0.000 0.887 934 S HN 0.277 nan 8.310 nan 0.000 0.447 935 L N 1.732 122.956 121.223 0.001 0.000 2.005 935 L HA -0.013 4.324 4.340 -0.005 0.000 0.207 935 L C 2.245 179.155 176.870 0.068 0.000 1.072 935 L CA 1.580 56.347 54.840 -0.121 0.000 0.744 935 L CB -0.724 41.227 42.059 -0.180 0.000 0.895 935 L HN 0.140 nan 8.230 nan 0.000 0.433 936 V N -0.578 119.407 119.914 0.118 0.000 2.343 936 V HA -0.303 3.814 4.120 -0.005 0.000 0.247 936 V C 2.340 178.523 176.094 0.149 0.000 1.051 936 V CA 2.094 64.451 62.300 0.093 0.000 1.036 936 V CB -0.874 30.857 31.823 -0.154 0.000 0.654 936 V HN 0.541 nan 8.190 nan 0.000 0.451 937 F N 1.334 121.304 119.950 0.032 0.000 2.134 937 F HA -0.216 4.308 4.527 -0.005 0.000 0.299 937 F C 2.378 178.330 175.800 0.253 0.000 1.097 937 F CA 2.251 60.342 58.000 0.151 0.000 1.264 937 F CB -0.450 38.680 39.000 0.217 0.000 1.001 937 F HN 0.121 nan 8.300 nan 0.000 0.479 938 T N 0.395 115.168 114.554 0.365 0.000 2.737 938 T HA -0.167 4.180 4.350 -0.005 0.000 0.265 938 T C 1.837 176.648 174.700 0.184 0.000 1.038 938 T CA 1.665 63.929 62.100 0.274 0.000 1.144 938 T CB -0.792 68.262 68.868 0.310 0.000 0.866 938 T HN 0.264 nan 8.240 nan 0.000 0.434 939 F N 1.895 121.967 119.950 0.204 0.000 2.154 939 F HA -0.196 4.328 4.527 -0.005 0.000 0.301 939 F C 2.749 178.681 175.800 0.219 0.000 1.087 939 F CA 1.197 59.311 58.000 0.191 0.000 1.274 939 F CB -0.147 38.981 39.000 0.213 0.000 1.009 939 F HN 0.262 nan 8.300 nan 0.000 0.485 940 S N -1.551 114.372 115.700 0.371 0.000 2.612 940 S HA -0.075 4.392 4.470 -0.005 0.000 0.193 940 S C 1.970 176.685 174.600 0.192 0.000 0.898 940 S CA 0.585 58.974 58.200 0.316 0.000 0.872 940 S CB -0.831 62.544 63.200 0.292 0.000 0.843 940 S HN 0.287 nan 8.310 nan 0.000 0.611 941 C N 1.795 121.041 119.300 -0.090 0.000 2.462 941 C HA 0.039 4.496 4.460 -0.005 0.000 0.278 941 C C 3.058 177.942 174.990 -0.177 0.000 1.253 941 C CA 1.347 60.206 59.018 -0.265 0.000 1.713 941 C CB -1.346 25.881 27.740 -0.855 0.000 2.049 941 C HN 0.776 nan 8.230 nan 0.000 0.477 942 Q N 0.470 120.101 119.800 -0.282 0.000 2.050 942 Q HA -0.195 4.142 4.340 -0.005 0.000 0.202 942 Q C 2.203 178.325 176.000 0.204 0.000 0.980 942 Q CA 1.931 57.803 55.803 0.116 0.000 0.840 942 Q CB -0.804 28.100 28.738 0.276 0.000 0.898 942 Q HN 0.806 nan 8.270 nan 0.000 0.424 943 H N -0.625 118.533 119.070 0.146 0.000 2.319 943 H HA -0.152 4.401 4.556 -0.006 0.000 0.299 943 H C 1.612 177.029 175.328 0.147 0.000 1.092 943 H CA 1.747 57.889 56.048 0.156 0.000 1.302 943 H CB -0.015 29.844 29.762 0.162 0.000 1.373 943 H HN 0.397 nan 8.280 nan 0.000 0.497 944 A N 1.339 124.259 122.820 0.166 0.000 1.883 944 A HA -0.124 4.193 4.320 -0.005 0.000 0.217 944 A C 2.750 180.438 177.584 0.172 0.000 1.186 944 A CA 2.030 54.266 52.037 0.333 0.000 0.624 944 A CB -1.214 18.075 19.000 0.481 0.000 0.822 944 A HN 0.602 nan 8.150 nan 0.000 0.444 945 A N -0.325 122.617 122.820 0.205 0.000 1.940 945 A HA -0.017 4.300 4.320 -0.005 0.000 0.219 945 A C 2.164 179.761 177.584 0.022 0.000 1.176 945 A CA 2.254 54.438 52.037 0.246 0.000 0.631 945 A CB -0.968 18.339 19.000 0.513 0.000 0.814 945 A HN 1.259 nan 8.150 nan 0.000 0.446 946 V N -3.079 116.813 119.914 -0.037 0.000 3.650 946 V HA 0.115 4.232 4.120 -0.005 0.000 0.271 946 V C 1.374 177.317 176.094 -0.252 0.000 1.281 946 V CA 1.318 63.584 62.300 -0.057 0.000 1.120 946 V CB -0.473 31.405 31.823 0.091 0.000 0.856 946 V HN 0.626 nan 8.190 nan 0.000 0.443 947 N N 0.394 118.771 118.700 -0.540 0.000 2.607 947 N HA 0.122 4.859 4.740 -0.005 0.000 0.207 947 N C 1.505 176.575 175.510 -0.733 0.000 1.040 947 N CA 0.743 53.265 53.050 -0.880 0.000 0.947 947 N CB 0.164 37.804 38.487 -1.410 0.000 1.293 947 N HN 0.491 nan 8.380 nan 0.000 0.446 948 F N 1.889 121.637 119.950 -0.337 0.000 2.748 948 F HA 0.083 4.608 4.527 -0.003 0.000 0.299 948 F C 2.408 177.929 175.800 -0.465 0.000 1.154 948 F CA 0.386 58.214 58.000 -0.286 0.000 1.446 948 F CB 0.095 39.044 39.000 -0.086 0.000 1.112 948 F HN 0.118 nan 8.300 nan 0.000 0.584 949 S N -0.735 114.541 115.700 -0.706 0.000 2.561 949 S HA -0.128 4.339 4.470 -0.005 0.000 0.225 949 S C 1.602 175.924 174.600 -0.463 0.000 0.977 949 S CA 0.342 57.835 58.200 -1.178 0.000 0.926 949 S CB -0.390 62.167 63.200 -1.072 0.000 0.769 949 S HN 0.487 nan 8.310 nan 0.000 0.533 950 Q N 1.035 120.671 119.800 -0.273 0.000 2.230 950 Q HA 0.001 4.338 4.340 -0.005 0.000 0.202 950 Q C 2.200 178.242 176.000 0.070 0.000 0.963 950 Q CA 0.832 56.613 55.803 -0.037 0.000 0.866 950 Q CB -0.148 28.633 28.738 0.071 0.000 0.931 950 Q HN 0.466 nan 8.270 nan 0.000 0.452 951 K N 1.435 121.848 120.400 0.022 0.000 2.026 951 K HA -0.200 4.116 4.320 -0.005 0.000 0.208 951 K C 1.137 177.764 176.600 0.045 0.000 1.048 951 K CA 1.602 57.922 56.287 0.054 0.000 0.929 951 K CB -0.047 32.497 32.500 0.074 0.000 0.713 951 K HN 0.160 nan 8.250 nan 0.000 0.439 952 D N -0.651 119.785 120.400 0.059 0.000 2.178 952 D HA -0.146 4.491 4.640 -0.005 0.000 0.202 952 D C 1.990 178.314 176.300 0.040 0.000 0.974 952 D CA 1.106 55.150 54.000 0.073 0.000 0.841 952 D CB -0.150 40.765 40.800 0.192 0.000 0.953 952 D HN 0.479 nan 8.370 nan 0.000 0.478 953 H N -1.151 117.838 119.070 -0.136 0.000 2.343 953 H HA -0.032 4.520 4.556 -0.006 0.000 0.303 953 H C 1.241 176.391 175.328 -0.298 0.000 1.068 953 H CA 1.476 57.337 56.048 -0.312 0.000 1.359 953 H CB 0.094 29.478 29.762 -0.630 0.000 1.402 953 H HN 0.118 nan 8.280 nan 0.000 0.515 954 Y N -1.292 119.053 120.300 0.074 0.000 2.442 954 Y HA 0.208 4.755 4.550 -0.006 0.000 0.250 954 Y C 2.496 178.368 175.900 -0.046 0.000 1.113 954 Y CA 0.034 58.135 58.100 0.003 0.000 1.273 954 Y CB 0.531 38.999 38.460 0.014 0.000 1.138 954 Y HN 0.318 nan 8.280 nan 0.000 0.522 955 G N 0.831 109.696 108.800 0.108 0.000 2.469 955 G HA2 -0.311 3.646 3.960 -0.005 0.000 0.219 955 G HA3 -0.311 3.646 3.960 -0.005 0.000 0.219 955 G C 0.223 175.214 174.900 0.151 0.000 1.150 955 G CA 0.473 45.599 45.100 0.044 0.000 0.763 955 G HN 0.271 nan 8.290 nan 0.000 0.561 956 F N 2.015 121.938 119.950 -0.045 0.000 2.334 956 F HA 0.465 4.989 4.527 -0.005 0.000 0.367 956 F C 1.483 177.185 175.800 -0.163 0.000 1.115 956 F CA -0.753 57.235 58.000 -0.020 0.000 1.116 956 F CB 0.904 39.857 39.000 -0.079 0.000 1.230 956 F HN -0.059 nan 8.300 nan 0.000 0.484 957 T N 6.119 120.308 114.554 -0.608 0.000 2.665 957 T HA -0.140 4.207 4.350 -0.005 0.000 0.268 957 T C -0.853 173.320 174.700 -0.878 0.000 1.035 957 T CA 2.036 63.769 62.100 -0.612 0.000 1.151 957 T CB -0.874 67.742 68.868 -0.420 0.000 0.862 957 T HN 0.433 nan 8.240 nan 0.000 0.438 958 P HA -0.078 nan 4.420 nan 0.000 0.221 958 P C 1.335 178.334 177.300 -0.502 0.000 1.145 958 P CA 0.739 63.122 63.100 -1.195 0.000 0.795 958 P CB -0.225 30.421 31.700 -1.756 0.000 0.775 959 N N -0.169 118.286 118.700 -0.409 0.000 2.289 959 N HA -0.116 4.621 4.740 -0.005 0.000 0.184 959 N C 0.099 175.579 175.510 -0.051 0.000 1.016 959 N CA 1.136 54.215 53.050 0.049 0.000 0.872 959 N CB 0.074 38.624 38.487 0.104 0.000 0.973 959 N HN -0.049 nan 8.380 nan 0.000 0.433 960 A N 1.035 123.772 122.820 -0.138 0.000 3.200 960 A HA 0.292 4.609 4.320 -0.005 0.000 0.274 960 A C -2.760 174.845 177.584 0.035 0.000 1.220 960 A CA -0.902 51.088 52.037 -0.080 0.000 0.904 960 A CB 0.660 19.449 19.000 -0.350 0.000 1.415 960 A HN 0.078 nan 8.150 nan 0.000 0.630 961 P HA 0.327 nan 4.420 nan 0.000 0.268 961 P C 0.606 177.878 177.300 -0.046 0.000 1.205 961 P CA 0.454 63.465 63.100 -0.149 0.000 0.771 961 P CB 1.675 33.193 31.700 -0.303 0.000 0.858 962 A N 3.654 126.429 122.820 -0.075 0.000 2.382 962 A HA 0.332 4.649 4.320 -0.005 0.000 0.228 962 A C 0.784 178.309 177.584 -0.098 0.000 1.217 962 A CA 0.153 52.155 52.037 -0.059 0.000 0.923 962 A CB 0.008 18.943 19.000 -0.109 0.000 0.979 962 A HN 0.510 nan 8.150 nan 0.000 0.515 963 I N 0.555 121.043 120.570 -0.137 0.000 2.647 963 I HA 0.446 4.613 4.170 -0.005 0.000 0.295 963 I C -1.194 174.814 176.117 -0.182 0.000 1.078 963 I CA -0.650 60.565 61.300 -0.141 0.000 1.048 963 I CB 2.238 40.143 38.000 -0.158 0.000 1.239 963 I HN 0.010 nan 8.210 nan 0.000 0.421 964 L N 5.149 126.275 121.223 -0.161 0.000 2.370 964 L HA 0.558 4.895 4.340 -0.005 0.000 0.266 964 L C 0.579 177.427 176.870 -0.036 0.000 1.002 964 L CA -0.693 54.012 54.840 -0.225 0.000 0.818 964 L CB 2.412 44.141 42.059 -0.550 0.000 1.325 964 L HN 0.584 nan 8.230 nan 0.000 0.418 965 R N -0.354 120.098 120.500 -0.079 0.000 2.397 965 R HA 0.252 4.589 4.340 -0.005 0.000 0.241 965 R C -0.319 175.844 176.300 -0.229 0.000 0.914 965 R CA -0.063 55.966 56.100 -0.118 0.000 1.071 965 R CB 0.464 30.601 30.300 -0.272 0.000 1.116 965 R HN 0.488 nan 8.270 nan 0.000 0.524 966 H N -0.220 118.899 119.070 0.081 0.000 2.928 966 H HA 0.344 4.897 4.556 -0.005 0.000 0.371 966 H C -2.487 172.509 175.328 -0.553 0.000 1.186 966 H CA -2.375 53.561 56.048 -0.186 0.000 1.134 966 H CB 2.040 31.776 29.762 -0.043 0.000 1.824 966 H HN -0.168 nan 8.280 nan 0.000 0.554 967 P HA 0.140 nan 4.420 nan 0.000 0.274 967 P C -2.498 174.771 177.300 -0.052 0.000 1.256 967 P CA -1.347 61.385 63.100 -0.613 0.000 0.795 967 P CB -0.033 31.365 31.700 -0.503 0.000 1.038 968 P HA 0.254 nan 4.420 nan 0.000 0.274 968 P C -2.308 174.921 177.300 -0.119 0.000 1.256 968 P CA -1.534 61.285 63.100 -0.467 0.000 0.795 968 P CB -1.169 29.892 31.700 -1.064 0.000 1.038 969 P HA 0.217 nan 4.420 nan 0.000 0.274 969 P C -0.023 177.354 177.300 0.128 0.000 1.231 969 P CA -0.076 63.083 63.100 0.098 0.000 0.790 969 P CB 1.013 32.822 31.700 0.181 0.000 0.951 970 K N 0.729 121.199 120.400 0.117 0.000 2.387 970 K HA 0.137 4.453 4.320 -0.005 0.000 0.203 970 K C 0.579 177.238 176.600 0.098 0.000 1.030 970 K CA 0.011 56.354 56.287 0.093 0.000 1.099 970 K CB 0.337 32.872 32.500 0.057 0.000 0.863 970 K HN 0.526 nan 8.250 nan 0.000 0.529 971 K N -0.249 120.243 120.400 0.152 0.000 2.607 971 K HA 0.323 4.640 4.320 -0.005 0.000 0.287 971 K C -1.332 175.410 176.600 0.237 0.000 0.996 971 K CA -1.010 55.352 56.287 0.125 0.000 0.876 971 K CB 1.405 33.955 32.500 0.084 0.000 1.496 971 K HN -0.269 nan 8.250 nan 0.000 0.415 972 K N -0.278 120.222 120.400 0.167 0.000 2.090 972 K HA 0.407 4.724 4.320 -0.005 0.000 0.250 972 K C 0.608 177.352 176.600 0.240 0.000 1.004 972 K CA 0.217 56.678 56.287 0.290 0.000 0.919 972 K CB 1.039 33.606 32.500 0.111 0.000 1.045 972 K HN 0.982 nan 8.250 nan 0.000 0.471 973 G N 0.874 109.840 108.800 0.276 0.000 2.175 973 G HA2 -0.275 3.682 3.960 -0.005 0.000 0.244 973 G HA3 -0.275 3.682 3.960 -0.005 0.000 0.244 973 G C 0.675 175.674 174.900 0.164 0.000 0.982 973 G CA 0.350 45.565 45.100 0.192 0.000 0.641 973 G HN 0.717 nan 8.290 nan 0.000 0.527 974 E N 0.320 120.623 120.200 0.172 0.000 2.170 974 E HA 0.369 4.716 4.350 -0.005 0.000 0.191 974 E C 1.725 178.388 176.600 0.105 0.000 0.981 974 E CA 0.458 56.930 56.400 0.121 0.000 0.830 974 E CB 0.118 29.885 29.700 0.112 0.000 0.775 974 E HN 0.765 nan 8.360 nan 0.000 0.470 975 A N 1.968 124.869 122.820 0.136 0.000 2.450 975 A HA 0.245 4.562 4.320 -0.005 0.000 0.255 975 A C 0.407 178.042 177.584 0.085 0.000 1.096 975 A CA -0.029 52.081 52.037 0.122 0.000 0.778 975 A CB 0.067 19.162 19.000 0.158 0.000 1.031 975 A HN 0.150 nan 8.150 nan 0.000 0.494 976 T N 0.142 114.669 114.554 -0.045 0.000 2.926 976 T HA 0.450 4.797 4.350 -0.005 0.000 0.289 976 T C 0.853 175.349 174.700 -0.339 0.000 1.054 976 T CA -0.489 61.438 62.100 -0.289 0.000 1.015 976 T CB 0.812 69.586 68.868 -0.157 0.000 1.167 976 T HN 0.584 nan 8.240 nan 0.000 0.526 977 L N 0.843 121.744 121.223 -0.536 0.000 2.043 977 L HA -0.088 4.249 4.340 -0.005 0.000 0.212 977 L C 2.819 179.606 176.870 -0.138 0.000 1.075 977 L CA 2.297 56.986 54.840 -0.251 0.000 0.752 977 L CB -0.968 40.965 42.059 -0.210 0.000 0.891 977 L HN 0.971 nan 8.230 nan 0.000 0.432 978 Q N -1.031 118.699 119.800 -0.118 0.000 2.079 978 Q HA -0.197 4.140 4.340 -0.005 0.000 0.200 978 Q C 2.190 178.175 176.000 -0.024 0.000 0.974 978 Q CA 2.156 57.924 55.803 -0.059 0.000 0.840 978 Q CB -0.169 28.541 28.738 -0.047 0.000 0.898 978 Q HN 0.737 nan 8.270 nan 0.000 0.430 979 S N 0.014 115.697 115.700 -0.028 0.000 2.383 979 S HA -0.112 4.355 4.470 -0.005 0.000 0.227 979 S C 1.943 176.569 174.600 0.042 0.000 1.026 979 S CA 0.957 59.153 58.200 -0.007 0.000 0.981 979 S CB -0.526 62.665 63.200 -0.015 0.000 0.818 979 S HN 0.464 nan 8.310 nan 0.000 0.472 980 I N 1.536 122.142 120.570 0.060 0.000 2.179 980 I HA -0.154 4.013 4.170 -0.005 0.000 0.242 980 I C 2.437 178.594 176.117 0.067 0.000 1.088 980 I CA 1.323 62.697 61.300 0.123 0.000 1.357 980 I CB -0.447 37.721 38.000 0.280 0.000 1.051 980 I HN 0.276 nan 8.210 nan 0.000 0.409 981 L N -0.032 121.216 121.223 0.043 0.000 2.131 981 L HA -0.184 4.153 4.340 -0.005 0.000 0.210 981 L C 2.523 179.451 176.870 0.097 0.000 1.092 981 L CA 1.077 55.958 54.840 0.068 0.000 0.759 981 L CB -0.489 41.593 42.059 0.038 0.000 0.903 981 L HN 0.193 nan 8.230 nan 0.000 0.435 982 S N -1.297 114.460 115.700 0.096 0.000 2.453 982 S HA -0.098 4.369 4.470 -0.005 0.000 0.231 982 S C 1.909 176.625 174.600 0.193 0.000 1.005 982 S CA 1.365 59.655 58.200 0.150 0.000 0.949 982 S CB -0.077 63.231 63.200 0.179 0.000 0.774 982 S HN 0.453 nan 8.310 nan 0.000 0.510 983 T N 1.926 116.569 114.554 0.148 0.000 3.010 983 T HA 0.266 4.613 4.350 -0.005 0.000 0.252 983 T C 0.778 175.400 174.700 -0.130 0.000 1.047 983 T CA 0.096 62.237 62.100 0.068 0.000 1.140 983 T CB -0.123 68.774 68.868 0.049 0.000 0.885 983 T HN 0.204 nan 8.240 nan 0.000 0.464 984 L N 2.124 123.248 121.223 -0.165 0.000 2.492 984 L HA 0.145 4.481 4.340 -0.005 0.000 0.280 984 L C -2.154 174.637 176.870 -0.131 0.000 1.240 984 L CA -1.796 52.884 54.840 -0.267 0.000 0.831 984 L CB -0.141 41.726 42.059 -0.321 0.000 1.100 984 L HN -0.022 nan 8.230 nan 0.000 0.505 985 P HA -0.027 nan 4.420 nan 0.000 0.265 985 P C -0.618 176.680 177.300 -0.003 0.000 1.187 985 P CA -0.154 62.891 63.100 -0.091 0.000 0.766 985 P CB 0.449 32.088 31.700 -0.102 0.000 0.820 986 S N 2.381 118.016 115.700 -0.108 0.000 2.580 986 S HA 0.008 4.475 4.470 -0.005 0.000 0.266 986 S C 1.429 175.830 174.600 -0.332 0.000 1.354 986 S CA -0.232 57.838 58.200 -0.216 0.000 1.008 986 S CB 0.367 63.430 63.200 -0.228 0.000 0.898 986 S HN 0.516 nan 8.310 nan 0.000 0.555 987 K N 0.907 120.870 120.400 -0.728 0.000 2.059 987 K HA -0.206 4.111 4.320 -0.005 0.000 0.212 987 K C 2.212 178.539 176.600 -0.456 0.000 1.050 987 K CA 2.063 57.780 56.287 -0.950 0.000 0.927 987 K CB -0.683 30.965 32.500 -1.419 0.000 0.714 987 K HN 0.814 nan 8.250 nan 0.000 0.447 988 S N -0.150 115.336 115.700 -0.357 0.000 2.414 988 S HA -0.104 4.363 4.470 -0.005 0.000 0.227 988 S C 1.966 176.460 174.600 -0.176 0.000 1.022 988 S CA 0.587 58.650 58.200 -0.228 0.000 0.958 988 S CB -0.143 62.938 63.200 -0.198 0.000 0.797 988 S HN 0.401 nan 8.310 nan 0.000 0.493 989 Q N 1.324 121.013 119.800 -0.185 0.000 2.050 989 Q HA 0.021 4.358 4.340 -0.005 0.000 0.202 989 Q C 2.614 178.534 176.000 -0.133 0.000 0.980 989 Q CA 1.519 57.224 55.803 -0.164 0.000 0.840 989 Q CB -0.571 28.066 28.738 -0.169 0.000 0.898 989 Q HN 0.752 nan 8.270 nan 0.000 0.424 990 A N 1.085 123.850 122.820 -0.093 0.000 1.883 990 A HA -0.188 4.129 4.320 -0.005 0.000 0.217 990 A C 2.311 179.860 177.584 -0.059 0.000 1.186 990 A CA 1.745 53.764 52.037 -0.030 0.000 0.624 990 A CB -1.000 18.099 19.000 0.166 0.000 0.822 990 A HN 0.426 nan 8.150 nan 0.000 0.444 991 A N -0.243 122.539 122.820 -0.064 0.000 1.908 991 A HA -0.216 4.101 4.320 -0.005 0.000 0.218 991 A C 2.116 179.654 177.584 -0.077 0.000 1.181 991 A CA 1.971 53.985 52.037 -0.038 0.000 0.627 991 A CB -0.465 18.540 19.000 0.009 0.000 0.818 991 A HN 0.576 nan 8.150 nan 0.000 0.445 992 K N -0.490 119.857 120.400 -0.088 0.000 2.148 992 K HA 0.026 4.343 4.320 -0.005 0.000 0.204 992 K C 2.309 178.823 176.600 -0.144 0.000 1.050 992 K CA 0.879 57.110 56.287 -0.094 0.000 0.942 992 K CB -0.293 32.147 32.500 -0.102 0.000 0.724 992 K HN 0.449 nan 8.250 nan 0.000 0.446 993 A N 1.676 124.396 122.820 -0.167 0.000 1.883 993 A HA -0.171 4.146 4.320 -0.005 0.000 0.217 993 A C 2.127 179.571 177.584 -0.233 0.000 1.186 993 A CA 1.368 53.280 52.037 -0.209 0.000 0.624 993 A CB -0.599 18.277 19.000 -0.207 0.000 0.822 993 A HN 0.162 nan 8.150 nan 0.000 0.444 994 I N -0.185 120.225 120.570 -0.266 0.000 2.179 994 I HA -0.291 3.876 4.170 -0.005 0.000 0.242 994 I C 2.982 178.726 176.117 -0.622 0.000 1.088 994 I CA 1.107 62.148 61.300 -0.432 0.000 1.357 994 I CB -0.358 37.307 38.000 -0.557 0.000 1.051 994 I HN 0.353 nan 8.210 nan 0.000 0.409 995 A N 0.326 122.789 122.820 -0.595 0.000 1.883 995 A HA -0.240 4.077 4.320 -0.005 0.000 0.217 995 A C 2.402 179.952 177.584 -0.058 0.000 1.186 995 A CA 2.638 54.477 52.037 -0.330 0.000 0.624 995 A CB -1.238 17.801 19.000 0.064 0.000 0.822 995 A HN 0.403 nan 8.150 nan 0.000 0.444 996 T N -0.261 114.237 114.554 -0.092 0.000 2.652 996 T HA -0.153 4.194 4.350 -0.005 0.000 0.267 996 T C 1.883 176.552 174.700 -0.052 0.000 1.039 996 T CA 1.717 63.783 62.100 -0.058 0.000 1.153 996 T CB -0.576 68.227 68.868 -0.108 0.000 0.863 996 T HN 0.155 nan 8.240 nan 0.000 0.428 997 V N 0.592 120.445 119.914 -0.102 0.000 2.332 997 V HA -0.205 3.912 4.120 -0.005 0.000 0.248 997 V C 2.034 178.120 176.094 -0.014 0.000 1.055 997 V CA 1.825 64.087 62.300 -0.065 0.000 1.038 997 V CB -0.776 31.018 31.823 -0.048 0.000 0.651 997 V HN 0.517 nan 8.190 nan 0.000 0.450 998 Y N 0.647 120.880 120.300 -0.111 0.000 2.114 998 Y HA -0.278 4.269 4.550 -0.006 0.000 0.282 998 Y C 2.215 178.159 175.900 0.074 0.000 1.165 998 Y CA 1.958 60.066 58.100 0.012 0.000 1.148 998 Y CB -0.319 38.201 38.460 0.100 0.000 0.972 998 Y HN 0.214 nan 8.280 nan 0.000 0.504 999 I N -0.191 120.360 120.570 -0.031 0.000 2.179 999 I HA -0.329 3.838 4.170 -0.005 0.000 0.242 999 I C 2.180 178.285 176.117 -0.020 0.000 1.088 999 I CA 1.429 62.698 61.300 -0.052 0.000 1.357 999 I CB -0.429 37.615 38.000 0.073 0.000 1.051 999 I HN 0.220 nan 8.210 nan 0.000 0.409 1000 L N 0.084 121.305 121.223 -0.002 0.000 2.478 1000 L HA -0.068 4.269 4.340 -0.005 0.000 0.223 1000 L C 2.107 178.924 176.870 -0.088 0.000 1.140 1000 L CA 1.272 56.120 54.840 0.014 0.000 0.842 1000 L CB -0.827 41.244 42.059 0.019 0.000 0.953 1000 L HN 0.433 nan 8.230 nan 0.000 0.452 1001 T N -4.242 110.241 114.554 -0.117 0.000 3.054 1001 T HA 0.044 4.391 4.350 -0.005 0.000 0.255 1001 T C 0.655 175.297 174.700 -0.096 0.000 1.035 1001 T CA -0.391 61.645 62.100 -0.107 0.000 0.941 1001 T CB 0.083 68.912 68.868 -0.065 0.000 1.026 1001 T HN 0.034 nan 8.240 nan 0.000 0.533 1002 K N 1.518 121.843 120.400 -0.125 0.000 2.316 1002 K HA 0.337 4.654 4.320 -0.005 0.000 0.289 1002 K C -1.051 175.550 176.600 0.002 0.000 1.070 1002 K CA -0.730 55.479 56.287 -0.130 0.000 0.928 1002 K CB -0.003 32.368 32.500 -0.215 0.000 1.039 1002 K HN 0.238 nan 8.250 nan 0.000 0.480 1003 F N 2.509 122.540 119.950 0.136 0.000 2.495 1003 F HA 0.027 4.552 4.527 -0.004 0.000 0.365 1003 F C 1.319 177.156 175.800 0.062 0.000 1.090 1003 F CA -0.102 57.960 58.000 0.103 0.000 1.235 1003 F CB 1.242 40.289 39.000 0.079 0.000 1.119 1003 F HN 0.470 nan 8.300 nan 0.000 0.562 1004 S N 1.884 117.717 115.700 0.221 0.000 2.585 1004 S HA 0.044 4.511 4.470 -0.005 0.000 0.273 1004 S C 1.094 175.748 174.600 0.090 0.000 1.339 1004 S CA -0.668 57.590 58.200 0.095 0.000 1.028 1004 S CB 0.840 64.043 63.200 0.005 0.000 0.906 1004 S HN 0.652 nan 8.310 nan 0.000 0.528 1005 E N 1.155 121.391 120.200 0.060 0.000 2.338 1005 E HA -0.080 4.267 4.350 -0.005 0.000 0.197 1005 E C 0.910 177.519 176.600 0.015 0.000 1.007 1005 E CA 1.144 57.573 56.400 0.049 0.000 0.849 1005 E CB -0.029 29.696 29.700 0.041 0.000 0.774 1005 E HN 0.725 nan 8.360 nan 0.000 0.506 1006 D N -0.056 120.336 120.400 -0.013 0.000 2.358 1006 D HA -0.019 4.617 4.640 -0.005 0.000 0.224 1006 D C 0.034 176.261 176.300 -0.122 0.000 1.123 1006 D CA -0.192 53.774 54.000 -0.055 0.000 0.833 1006 D CB -0.092 40.675 40.800 -0.056 0.000 0.946 1006 D HN -0.094 nan 8.370 nan 0.000 0.505 1007 E N 1.267 121.383 120.200 -0.140 0.000 2.413 1007 E HA 0.133 4.479 4.350 -0.005 0.000 0.263 1007 E C -0.380 175.929 176.600 -0.485 0.000 1.015 1007 E CA 0.055 56.253 56.400 -0.338 0.000 0.916 1007 E CB 0.564 29.986 29.700 -0.463 0.000 0.947 1007 E HN 0.103 nan 8.360 nan 0.000 0.440 1008 R N 3.575 123.769 120.500 -0.511 0.000 2.387 1008 R HA 0.319 4.656 4.340 -0.005 0.000 0.314 1008 R C -0.697 175.303 176.300 -0.499 0.000 0.958 1008 R CA -0.644 55.213 56.100 -0.405 0.000 0.846 1008 R CB 0.998 31.149 30.300 -0.248 0.000 1.147 1008 R HN 0.532 nan 8.270 nan 0.000 0.447 1009 Y N 0.978 121.203 120.300 -0.124 0.000 2.496 1009 Y HA 0.238 4.785 4.550 -0.005 0.000 0.325 1009 Y C 0.469 176.295 175.900 -0.124 0.000 1.271 1009 Y CA -1.043 56.985 58.100 -0.119 0.000 1.368 1009 Y CB 0.516 38.867 38.460 -0.182 0.000 1.415 1009 Y HN 0.347 nan 8.280 nan 0.000 0.527 1010 L N 1.875 123.148 121.223 0.084 0.000 2.584 1010 L HA 0.279 4.616 4.340 -0.005 0.000 0.272 1010 L C 0.999 177.731 176.870 -0.229 0.000 1.195 1010 L CA 1.454 56.304 54.840 0.016 0.000 0.920 1010 L CB -0.440 41.649 42.059 0.051 0.000 1.173 1010 L HN 0.864 nan 8.230 nan 0.000 0.489 1011 G N 2.991 111.563 108.800 -0.380 0.000 2.199 1011 G HA2 -0.323 3.634 3.960 -0.005 0.000 0.254 1011 G HA3 -0.323 3.634 3.960 -0.005 0.000 0.254 1011 G C 0.404 174.740 174.900 -0.940 0.000 0.982 1011 G CA 0.237 44.778 45.100 -0.931 0.000 0.632 1011 G HN 0.909 nan 8.290 nan 0.000 0.529 1012 N N 0.381 118.780 118.700 -0.502 0.000 2.415 1012 N HA 0.353 5.090 4.740 -0.005 0.000 0.250 1012 N C -0.098 175.344 175.510 -0.112 0.000 1.127 1012 N CA -0.385 52.505 53.050 -0.266 0.000 0.945 1012 N CB -0.081 38.325 38.487 -0.134 0.000 1.196 1012 N HN 0.177 nan 8.380 nan 0.000 0.499 1013 Y N 1.123 121.393 120.300 -0.049 0.000 2.751 1013 Y HA 0.130 4.678 4.550 -0.004 0.000 0.289 1013 Y C 1.938 177.804 175.900 -0.056 0.000 1.110 1013 Y CA -0.758 57.322 58.100 -0.032 0.000 1.251 1013 Y CB -0.625 37.870 38.460 0.057 0.000 1.178 1013 Y HN 0.587 nan 8.280 nan 0.000 0.540 1014 S N -0.644 115.099 115.700 0.072 0.000 2.442 1014 S HA -0.064 4.403 4.470 -0.005 0.000 0.236 1014 S C 1.532 176.124 174.600 -0.013 0.000 1.007 1014 S CA 0.888 59.110 58.200 0.036 0.000 0.965 1014 S CB -0.047 63.168 63.200 0.026 0.000 0.773 1014 S HN 0.292 nan 8.310 nan 0.000 0.504 1015 A N 1.605 124.368 122.820 -0.095 0.000 2.793 1015 A HA 0.531 4.847 4.320 -0.005 0.000 0.301 1015 A C 0.621 177.813 177.584 -0.654 0.000 1.172 1015 A CA -0.186 51.717 52.037 -0.223 0.000 0.973 1015 A CB -0.308 18.685 19.000 -0.012 0.000 1.164 1015 A HN 0.558 nan 8.150 nan 0.000 0.542 1016 T N -4.139 109.996 114.554 -0.698 0.000 2.952 1016 T HA 0.652 4.999 4.350 -0.005 0.000 0.286 1016 T C 0.489 174.661 174.700 -0.880 0.000 1.024 1016 T CA -0.027 61.670 62.100 -0.671 0.000 1.029 1016 T CB 1.906 70.616 68.868 -0.263 0.000 1.094 1016 T HN 0.608 nan 8.240 nan 0.000 0.515 1017 A N 0.321 122.753 122.820 -0.646 0.000 2.507 1017 A HA 0.378 4.695 4.320 -0.005 0.000 0.270 1017 A C -0.121 177.341 177.584 -0.203 0.000 1.318 1017 A CA -1.071 50.785 52.037 -0.300 0.000 0.924 1017 A CB -0.741 18.183 19.000 -0.126 0.000 1.061 1017 A HN 0.799 nan 8.150 nan 0.000 0.516 1018 W N 0.244 121.503 121.300 -0.068 0.000 2.190 1018 W HA 0.326 4.982 4.660 -0.006 0.000 0.330 1018 W C 0.969 177.515 176.519 0.045 0.000 1.299 1018 W CA -0.311 57.035 57.345 0.001 0.000 1.215 1018 W CB 0.736 30.202 29.460 0.011 0.000 1.147 1018 W HN 0.276 nan 8.180 nan 0.000 0.563 1019 E N 0.571 120.971 120.200 0.334 0.000 2.444 1019 E HA -0.072 4.275 4.350 -0.005 0.000 0.209 1019 E C -0.054 176.657 176.600 0.185 0.000 0.806 1019 E CA 0.138 56.661 56.400 0.205 0.000 1.240 1019 E CB -0.135 29.642 29.700 0.129 0.000 1.238 1019 E HN 0.478 nan 8.360 nan 0.000 0.591 1020 D N 2.085 122.637 120.400 0.254 0.000 2.450 1020 D HA -0.056 4.581 4.640 -0.005 0.000 0.247 1020 D C 0.915 177.261 176.300 0.077 0.000 1.162 1020 D CA 0.127 54.221 54.000 0.157 0.000 0.879 1020 D CB 0.958 41.892 40.800 0.225 0.000 1.163 1020 D HN -0.256 nan 8.370 nan 0.000 0.472 1021 K N 3.239 123.651 120.400 0.021 0.000 2.103 1021 K HA -0.130 4.187 4.320 -0.005 0.000 0.207 1021 K C 1.248 177.831 176.600 -0.030 0.000 1.048 1021 K CA 1.058 57.345 56.287 0.000 0.000 0.930 1021 K CB -0.099 32.394 32.500 -0.013 0.000 0.716 1021 K HN 0.543 nan 8.250 nan 0.000 0.444 1022 D N 0.482 120.841 120.400 -0.068 0.000 2.149 1022 D HA -0.060 4.576 4.640 -0.005 0.000 0.201 1022 D C 1.796 178.026 176.300 -0.116 0.000 0.972 1022 D CA 1.165 55.105 54.000 -0.100 0.000 0.835 1022 D CB -0.039 40.668 40.800 -0.154 0.000 0.966 1022 D HN 0.128 nan 8.370 nan 0.000 0.476 1023 A N 1.146 123.887 122.820 -0.132 0.000 1.902 1023 A HA -0.132 4.185 4.320 -0.005 0.000 0.217 1023 A C 2.402 179.862 177.584 -0.207 0.000 1.181 1023 A CA 0.905 52.791 52.037 -0.251 0.000 0.623 1023 A CB -0.816 17.976 19.000 -0.346 0.000 0.818 1023 A HN 0.192 nan 8.150 nan 0.000 0.443 1024 L N -0.531 120.639 121.223 -0.088 0.000 2.079 1024 L HA -0.205 4.131 4.340 -0.005 0.000 0.210 1024 L C 2.021 178.887 176.870 -0.006 0.000 1.081 1024 L CA 1.467 56.292 54.840 -0.025 0.000 0.752 1024 L CB -0.743 41.333 42.059 0.029 0.000 0.896 1024 L HN 0.306 nan 8.230 nan 0.000 0.433 1025 D N 0.245 120.637 120.400 -0.014 0.000 2.117 1025 D HA -0.111 4.525 4.640 -0.005 0.000 0.198 1025 D C 2.269 178.588 176.300 0.031 0.000 0.982 1025 D CA 1.436 55.437 54.000 0.002 0.000 0.828 1025 D CB 0.011 40.803 40.800 -0.013 0.000 0.967 1025 D HN 0.285 nan 8.370 nan 0.000 0.464 1026 A N 0.702 123.544 122.820 0.036 0.000 1.933 1026 A HA -0.131 4.186 4.320 -0.005 0.000 0.218 1026 A C 2.355 180.104 177.584 0.275 0.000 1.175 1026 A CA 0.829 52.950 52.037 0.140 0.000 0.628 1026 A CB -0.673 18.370 19.000 0.072 0.000 0.814 1026 A HN 0.190 nan 8.150 nan 0.000 0.444 1027 I N 0.058 120.750 120.570 0.204 0.000 2.226 1027 I HA -0.268 3.899 4.170 -0.005 0.000 0.245 1027 I C 2.134 178.279 176.117 0.047 0.000 1.100 1027 I CA 1.156 62.523 61.300 0.111 0.000 1.374 1027 I CB -0.470 37.597 38.000 0.111 0.000 1.057 1027 I HN 0.297 nan 8.210 nan 0.000 0.413 1028 N N 1.017 119.740 118.700 0.038 0.000 2.104 1028 N HA -0.180 4.557 4.740 -0.005 0.000 0.190 1028 N C 1.919 177.435 175.510 0.009 0.000 1.024 1028 N CA 1.380 54.433 53.050 0.006 0.000 0.853 1028 N CB -0.361 38.131 38.487 0.008 0.000 1.008 1028 N HN 0.347 nan 8.380 nan 0.000 0.424 1029 R N -0.480 120.054 120.500 0.056 0.000 2.075 1029 R HA -0.068 4.268 4.340 -0.005 0.000 0.232 1029 R C 2.022 178.381 176.300 0.100 0.000 1.126 1029 R CA 0.828 56.971 56.100 0.071 0.000 0.963 1029 R CB -0.441 29.917 30.300 0.098 0.000 0.858 1029 R HN 0.192 nan 8.270 nan 0.000 0.435 1030 F N 2.285 122.189 119.950 -0.076 0.000 2.102 1030 F HA -0.203 4.322 4.527 -0.003 0.000 0.298 1030 F C 2.085 177.774 175.800 -0.186 0.000 1.105 1030 F CA 1.620 59.523 58.000 -0.163 0.000 1.239 1030 F CB -0.389 38.327 39.000 -0.473 0.000 0.991 1030 F HN -0.043 nan 8.300 nan 0.000 0.474 1031 Q N -0.152 119.448 119.800 -0.333 0.000 2.084 1031 Q HA -0.208 4.129 4.340 -0.005 0.000 0.202 1031 Q C 1.868 177.714 176.000 -0.257 0.000 0.978 1031 Q CA 1.740 57.300 55.803 -0.405 0.000 0.844 1031 Q CB -0.335 28.234 28.738 -0.281 0.000 0.898 1031 Q HN 0.386 nan 8.270 nan 0.000 0.426 1032 D N 0.501 120.815 120.400 -0.144 0.000 2.117 1032 D HA -0.154 4.483 4.640 -0.005 0.000 0.197 1032 D C 1.733 177.980 176.300 -0.088 0.000 0.987 1032 D CA 1.134 55.077 54.000 -0.095 0.000 0.829 1032 D CB -0.087 40.685 40.800 -0.048 0.000 0.961 1032 D HN 0.008 nan 8.370 nan 0.000 0.460 1033 K N 0.929 121.286 120.400 -0.072 0.000 2.057 1033 K HA -0.047 4.270 4.320 -0.005 0.000 0.207 1033 K C 2.126 178.671 176.600 -0.091 0.000 1.049 1033 K CA 0.829 57.093 56.287 -0.038 0.000 0.931 1033 K CB -0.562 31.964 32.500 0.044 0.000 0.714 1033 K HN 0.123 nan 8.250 nan 0.000 0.440 1034 L N 0.545 121.638 121.223 -0.216 0.000 2.042 1034 L HA -0.166 4.171 4.340 -0.005 0.000 0.210 1034 L C 2.618 179.390 176.870 -0.164 0.000 1.076 1034 L CA 1.794 56.490 54.840 -0.241 0.000 0.749 1034 L CB -0.520 41.269 42.059 -0.451 0.000 0.893 1034 L HN 0.426 nan 8.230 nan 0.000 0.432 1035 E N 0.360 120.464 120.200 -0.160 0.000 2.085 1035 E HA -0.297 4.049 4.350 -0.005 0.000 0.194 1035 E C 1.714 178.268 176.600 -0.078 0.000 0.994 1035 E CA 1.761 58.091 56.400 -0.116 0.000 0.801 1035 E CB 0.074 29.709 29.700 -0.108 0.000 0.743 1035 E HN 0.412 nan 8.360 nan 0.000 0.453 1036 D N -0.105 120.258 120.400 -0.062 0.000 2.117 1036 D HA -0.125 4.511 4.640 -0.005 0.000 0.198 1036 D C 1.952 178.237 176.300 -0.025 0.000 0.982 1036 D CA 1.140 55.119 54.000 -0.036 0.000 0.828 1036 D CB -0.041 40.747 40.800 -0.021 0.000 0.967 1036 D HN 0.219 nan 8.370 nan 0.000 0.464 1037 I N 0.096 120.651 120.570 -0.025 0.000 2.163 1037 I HA -0.293 3.874 4.170 -0.005 0.000 0.243 1037 I C 2.378 178.487 176.117 -0.014 0.000 1.085 1037 I CA 0.905 62.202 61.300 -0.005 0.000 1.347 1037 I CB -0.275 37.730 38.000 0.007 0.000 1.044 1037 I HN 0.001 nan 8.210 nan 0.000 0.408 1038 S N 0.737 116.412 115.700 -0.042 0.000 2.359 1038 S HA -0.246 4.221 4.470 -0.005 0.000 0.223 1038 S C 1.932 176.506 174.600 -0.044 0.000 1.039 1038 S CA 1.527 59.696 58.200 -0.053 0.000 1.042 1038 S CB -0.321 62.829 63.200 -0.082 0.000 0.915 1038 S HN 0.395 nan 8.310 nan 0.000 0.439 1039 K N 1.087 121.461 120.400 -0.042 0.000 2.063 1039 K HA -0.076 4.241 4.320 -0.005 0.000 0.208 1039 K C 2.217 178.804 176.600 -0.022 0.000 1.048 1039 K CA 1.104 57.370 56.287 -0.035 0.000 0.928 1039 K CB -0.158 32.323 32.500 -0.032 0.000 0.713 1039 K HN 0.292 nan 8.250 nan 0.000 0.442 1040 K N 0.724 121.117 120.400 -0.012 0.000 2.057 1040 K HA -0.081 4.236 4.320 -0.005 0.000 0.207 1040 K C 2.149 178.750 176.600 0.003 0.000 1.049 1040 K CA 1.156 57.444 56.287 0.001 0.000 0.931 1040 K CB -0.134 32.373 32.500 0.012 0.000 0.714 1040 K HN 0.124 nan 8.250 nan 0.000 0.440 1041 I N 1.336 121.908 120.570 0.004 0.000 2.202 1041 I HA -0.288 3.879 4.170 -0.005 0.000 0.242 1041 I C 2.105 178.209 176.117 -0.022 0.000 1.091 1041 I CA 1.390 62.694 61.300 0.006 0.000 1.368 1041 I CB -0.162 37.850 38.000 0.020 0.000 1.058 1041 I HN 0.115 nan 8.210 nan 0.000 0.410 1042 K N 0.435 120.815 120.400 -0.033 0.000 2.057 1042 K HA -0.209 4.108 4.320 -0.005 0.000 0.207 1042 K C 2.155 178.733 176.600 -0.037 0.000 1.049 1042 K CA 1.319 57.579 56.287 -0.044 0.000 0.931 1042 K CB -0.177 32.294 32.500 -0.049 0.000 0.714 1042 K HN 0.384 nan 8.250 nan 0.000 0.440 1043 Q N 0.221 120.005 119.800 -0.026 0.000 2.084 1043 Q HA -0.136 4.201 4.340 -0.005 0.000 0.202 1043 Q C 2.281 178.269 176.000 -0.020 0.000 0.978 1043 Q CA 1.025 56.816 55.803 -0.019 0.000 0.844 1043 Q CB -0.042 28.690 28.738 -0.010 0.000 0.898 1043 Q HN 0.161 nan 8.270 nan 0.000 0.426 1044 R N 0.994 121.481 120.500 -0.022 0.000 2.066 1044 R HA -0.109 4.228 4.340 -0.005 0.000 0.232 1044 R C 1.464 177.721 176.300 -0.072 0.000 1.131 1044 R CA 1.334 57.414 56.100 -0.032 0.000 0.955 1044 R CB -0.316 29.970 30.300 -0.025 0.000 0.851 1044 R HN 0.277 nan 8.270 nan 0.000 0.432 1045 N N 1.600 120.251 118.700 -0.081 0.000 2.223 1045 N HA -0.183 4.553 4.740 -0.005 0.000 0.185 1045 N C 1.483 176.956 175.510 -0.062 0.000 1.016 1045 N CA 1.569 54.562 53.050 -0.094 0.000 0.863 1045 N CB -0.218 38.218 38.487 -0.084 0.000 0.983 1045 N HN 0.574 nan 8.380 nan 0.000 0.429 1046 E N -0.326 119.848 120.200 -0.043 0.000 2.338 1046 E HA -0.052 4.295 4.350 -0.005 0.000 0.197 1046 E C 0.343 176.932 176.600 -0.018 0.000 1.007 1046 E CA 0.764 57.146 56.400 -0.030 0.000 0.849 1046 E CB -0.122 29.563 29.700 -0.025 0.000 0.774 1046 E HN 0.204 nan 8.360 nan 0.000 0.506 1047 N N 0.612 119.303 118.700 -0.015 0.000 2.270 1047 N HA 0.181 4.917 4.740 -0.005 0.000 0.198 1047 N C -0.282 175.237 175.510 0.016 0.000 1.117 1047 N CA 0.182 53.235 53.050 0.004 0.000 0.845 1047 N CB 0.642 39.138 38.487 0.014 0.000 0.980 1047 N HN 0.202 nan 8.380 nan 0.000 0.486 1048 L N 0.715 121.934 121.223 -0.006 0.000 2.322 1048 L HA 0.255 4.592 4.340 -0.005 0.000 0.279 1048 L C 1.532 178.422 176.870 0.035 0.000 1.036 1048 L CA -0.459 54.392 54.840 0.019 0.000 0.807 1048 L CB 1.741 43.767 42.059 -0.055 0.000 1.226 1048 L HN -0.052 nan 8.230 nan 0.000 0.433 1049 E N 1.390 121.643 120.200 0.088 0.000 2.077 1049 E HA -0.105 4.241 4.350 -0.005 0.000 0.193 1049 E C -0.209 176.364 176.600 -0.045 0.000 0.989 1049 E CA 1.126 57.556 56.400 0.049 0.000 0.800 1049 E CB 0.240 30.033 29.700 0.155 0.000 0.746 1049 E HN 0.312 nan 8.360 nan 0.000 0.452 1050 V N 2.617 122.524 119.914 -0.010 0.000 2.327 1050 V HA 0.202 4.319 4.120 -0.005 0.000 0.272 1050 V C -2.430 173.699 176.094 0.059 0.000 1.019 1050 V CA -1.679 60.591 62.300 -0.049 0.000 0.814 1050 V CB 1.050 32.775 31.823 -0.163 0.000 1.040 1050 V HN -0.004 nan 8.190 nan 0.000 0.440 1051 P HA -0.065 nan 4.420 nan 0.000 0.264 1051 P C -0.982 176.309 177.300 -0.014 0.000 1.179 1051 P CA 0.366 63.440 63.100 -0.044 0.000 0.763 1051 P CB 0.191 31.845 31.700 -0.076 0.000 0.806 1052 Y N 4.571 124.769 120.300 -0.170 0.000 2.417 1052 Y HA 0.343 4.890 4.550 -0.005 0.000 0.336 1052 Y C 1.020 176.760 175.900 -0.267 0.000 0.961 1052 Y CA -0.280 57.708 58.100 -0.188 0.000 1.215 1052 Y CB 0.149 38.626 38.460 0.028 0.000 1.120 1052 Y HN 0.304 nan 8.280 nan 0.000 0.499 1053 I N 1.608 121.670 120.570 -0.846 0.000 4.057 1053 I HA 0.081 4.248 4.170 -0.005 0.000 0.334 1053 I C 0.158 175.994 176.117 -0.469 0.000 1.308 1053 I CA 0.023 61.011 61.300 -0.520 0.000 1.125 1053 I CB -0.083 37.723 38.000 -0.324 0.000 1.034 1053 I HN 0.492 nan 8.210 nan 0.000 0.401 1054 Y N 1.478 121.507 120.300 -0.452 0.000 2.509 1054 Y HA 0.169 4.715 4.550 -0.005 0.000 0.293 1054 Y C 1.739 177.612 175.900 -0.046 0.000 1.133 1054 Y CA 0.388 58.368 58.100 -0.198 0.000 1.283 1054 Y CB -0.082 38.272 38.460 -0.177 0.000 1.001 1054 Y HN 0.175 nan 8.280 nan 0.000 0.555 1055 L N 0.632 121.886 121.223 0.051 0.000 2.872 1055 L HA 0.215 4.552 4.340 -0.005 0.000 0.245 1055 L C -0.299 176.623 176.870 0.087 0.000 1.211 1055 L CA -0.186 54.754 54.840 0.167 0.000 1.013 1055 L CB 0.039 42.288 42.059 0.317 0.000 1.326 1055 L HN 0.148 nan 8.230 nan 0.000 0.525 1056 L N 1.464 122.690 121.223 0.004 0.000 2.455 1056 L HA 0.055 4.392 4.340 -0.005 0.000 0.272 1056 L C -1.053 175.786 176.870 -0.052 0.000 1.174 1056 L CA -1.251 53.564 54.840 -0.041 0.000 0.869 1056 L CB 0.578 42.577 42.059 -0.101 0.000 1.130 1056 L HN -0.108 nan 8.230 nan 0.000 0.474 1057 P HA -0.228 nan 4.420 nan 0.000 0.216 1057 P C 1.133 178.363 177.300 -0.116 0.000 1.150 1057 P CA 1.192 64.250 63.100 -0.070 0.000 0.843 1057 P CB 0.084 31.712 31.700 -0.119 0.000 0.787 1058 E N -0.188 119.886 120.200 -0.209 0.000 2.409 1058 E HA -0.136 4.211 4.350 -0.005 0.000 0.198 1058 E C 1.410 177.553 176.600 -0.761 0.000 1.024 1058 E CA 0.706 56.870 56.400 -0.393 0.000 0.861 1058 E CB -0.333 29.156 29.700 -0.351 0.000 0.788 1058 E HN 0.292 nan 8.360 nan 0.000 0.521 1059 R N 0.336 120.550 120.500 -0.477 0.000 2.437 1059 R HA 0.352 4.689 4.340 -0.005 0.000 0.257 1059 R C 0.225 176.464 176.300 -0.102 0.000 0.927 1059 R CA -0.148 55.645 56.100 -0.512 0.000 1.078 1059 R CB 0.701 30.851 30.300 -0.249 0.000 1.161 1059 R HN 0.143 nan 8.270 nan 0.000 0.529 1060 I N 3.359 123.989 120.570 0.100 0.000 2.291 1060 I HA 0.236 4.402 4.170 -0.005 0.000 0.290 1060 I C -2.316 174.028 176.117 0.378 0.000 1.050 1060 I CA -2.487 58.975 61.300 0.270 0.000 1.245 1060 I CB 1.246 39.361 38.000 0.192 0.000 1.405 1060 I HN -0.321 nan 8.210 nan 0.000 0.478 1061 P HA 0.059 nan 4.420 nan 0.000 0.268 1061 P C 0.329 177.763 177.300 0.225 0.000 1.208 1061 P CA -0.122 63.074 63.100 0.159 0.000 0.777 1061 P CB 0.571 32.436 31.700 0.276 0.000 0.875 1062 N N 0.201 118.975 118.700 0.124 0.000 2.205 1062 N HA -0.083 4.654 4.740 -0.005 0.000 0.186 1062 N C 1.080 176.817 175.510 0.378 0.000 1.015 1062 N CA 1.348 54.542 53.050 0.239 0.000 0.862 1062 N CB -0.250 38.224 38.487 -0.023 0.000 0.986 1062 N HN 0.540 nan 8.380 nan 0.000 0.429 1063 G N -1.763 107.207 108.800 0.285 0.000 3.015 1063 G HA2 0.432 4.389 3.960 -0.005 0.000 0.281 1063 G HA3 0.432 4.389 3.960 -0.005 0.000 0.281 1063 G C -1.203 173.870 174.900 0.288 0.000 1.386 1063 G CA -0.336 44.930 45.100 0.277 0.000 0.959 1063 G HN -0.078 nan 8.290 nan 0.000 0.522 1064 T N 0.855 115.506 114.554 0.162 0.000 2.910 1064 T HA 0.517 4.864 4.350 -0.005 0.000 0.323 1064 T C 0.674 175.333 174.700 -0.069 0.000 1.091 1064 T CA 0.432 62.405 62.100 -0.210 0.000 0.960 1064 T CB 1.020 69.674 68.868 -0.356 0.000 1.024 1064 T HN 0.812 nan 8.240 nan 0.000 0.509 1065 A N 3.404 126.298 122.820 0.124 0.000 2.508 1065 A HA 0.657 4.974 4.320 -0.005 0.000 0.250 1065 A C 0.166 177.987 177.584 0.394 0.000 1.208 1065 A CA -0.034 52.181 52.037 0.297 0.000 0.960 1065 A CB 0.313 19.540 19.000 0.378 0.000 1.099 1065 A HN 0.609 nan 8.150 nan 0.000 0.542 1066 I N 0.000 120.801 120.570 0.385 0.000 2.984 1066 I HA 0.000 4.167 4.170 -0.005 0.000 0.288 1066 I CA 0.000 61.535 61.300 0.392 0.000 1.566 1066 I CB 0.000 38.198 38.000 0.329 0.000 1.214 1066 I HN 0.000 nan 8.210 nan 0.000 0.494