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 3fg4_1_B DATA FIRST_RESID 373 DATA SEQUENCE HAIYNVEVET GDREHAGTDA TITIRITGAK GRTDYLKLDK GSXXXFEAGS DATA SEQUENCE KEQYTVQGFD VGDIQLIELH SDGGGYWSGD PDWFVNRVII ISSTQDRVYS DATA SEQUENCE FPCFRWVIKD MVLFPGEATL PFNEVPAIVS EQRQKELEQR KLTYQWDYVS DATA SEQUENCE DDMPGNIKAK THDDLPRDVQ FTDEKSRSYQ ESRKAALVNL GIGSLFTMFE DATA SEQUENCE NWDSYDDYHI LYRNWILGGT PNMADRWHED RWFGYQFLNG ANPVILTRCD DATA SEQUENCE ALPSNFPVTN EHVNASLDRG KNLDEEIKDG HIYIVDFKVL VGAKSYGGPV DATA SEQUENCE LEDIGYKXXX XXXXXEADIR YCAAPLALFY VNKLGHLMPI AIQINQEPGP DATA SEQUENCE ENPIWTPHEE NEHDWMMAKF WLGVAESNFH QLNTHLLRTH LTTESFALST DATA SEQUENCE WRNLASAHPI FKLLQPHIYG VLAIDTIGRK EXXXXXXXVD QSLSLGGGGH DATA SEQUENCE VTFMEKCFKE VNLQDYHLPN ALKKRGVDDP SKLPGFYYRD DGLALWEAIE DATA SEQUENCE TFIGEIIAIF YKNDDDVKRD NEIQSWIYDV HKNGWRVNPG HQDHGVPASF DATA SEQUENCE ESREQLKEVL TSLVFTFSCQ HAAVNFSQKD HYGFTPNAPA ILRHPPPKKK DATA SEQUENCE GEATLQSILS TLPSKSQAAK AIATVYILTK FSEDERYLGN YSATAWEDKD DATA SEQUENCE ALDAINRFQD KLEDISKKIK QRNENLEVPY IYLLPERIPN GTAI 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 373 H HA 0.000 nan 4.556 nan 0.000 0.296 373 H C 0.000 175.227 175.328 -0.169 0.000 0.993 373 H CA 0.000 55.985 56.048 -0.105 0.000 1.023 373 H CB 0.000 29.737 29.762 -0.042 0.000 1.292 374 A N 3.185 125.896 122.820 -0.183 0.000 2.311 374 A HA 0.693 4.947 4.320 -0.110 0.000 0.334 374 A C -0.407 176.948 177.584 -0.382 0.000 1.139 374 A CA -0.917 50.879 52.037 -0.401 0.000 0.830 374 A CB 1.029 19.657 19.000 -0.620 0.000 1.234 374 A HN 0.540 nan 8.150 nan 0.000 0.483 375 I N 1.252 121.607 120.570 -0.358 0.000 2.355 375 I HA 0.271 4.375 4.170 -0.110 0.000 0.288 375 I C -1.351 174.582 176.117 -0.308 0.000 0.999 375 I CA -0.105 61.064 61.300 -0.219 0.000 1.163 375 I CB 0.983 38.965 38.000 -0.030 0.000 1.316 375 I HN 0.583 nan 8.210 nan 0.000 0.454 376 Y N 5.111 125.465 120.300 0.090 0.000 2.335 376 Y HA 0.324 4.809 4.550 -0.108 0.000 0.339 376 Y C 0.426 176.391 175.900 0.108 0.000 0.987 376 Y CA -0.830 57.326 58.100 0.093 0.000 1.140 376 Y CB 0.736 39.242 38.460 0.076 0.000 1.173 376 Y HN 0.467 nan 8.280 nan 0.000 0.486 377 N N 3.325 122.172 118.700 0.245 0.000 2.422 377 N HA 0.271 4.946 4.740 -0.110 0.000 0.264 377 N C -1.161 174.489 175.510 0.233 0.000 1.063 377 N CA -0.171 53.001 53.050 0.204 0.000 0.959 377 N CB 1.951 40.526 38.487 0.147 0.000 1.087 377 N HN 0.273 nan 8.380 nan 0.000 0.483 378 V N 1.867 121.929 119.914 0.246 0.000 2.409 378 V HA 0.284 4.338 4.120 -0.110 0.000 0.291 378 V C 0.179 176.450 176.094 0.294 0.000 1.020 378 V CA -0.749 61.703 62.300 0.253 0.000 0.848 378 V CB 1.734 33.702 31.823 0.240 0.000 0.990 378 V HN 0.611 nan 8.190 nan 0.000 0.430 379 E N 3.916 124.261 120.200 0.243 0.000 2.176 379 E HA 0.676 4.960 4.350 -0.110 0.000 0.267 379 E C -1.729 175.012 176.600 0.235 0.000 0.893 379 E CA -0.494 56.048 56.400 0.237 0.000 0.761 379 E CB 2.102 31.902 29.700 0.165 0.000 1.133 379 E HN 0.476 nan 8.360 nan 0.000 0.409 380 V N 4.432 124.533 119.914 0.312 0.000 2.487 380 V HA 0.297 4.351 4.120 -0.110 0.000 0.298 380 V C -0.693 175.528 176.094 0.211 0.000 1.028 380 V CA -0.747 61.704 62.300 0.251 0.000 0.860 380 V CB 1.739 33.793 31.823 0.385 0.000 0.991 380 V HN 0.734 nan 8.190 nan 0.000 0.427 381 E N 2.516 122.747 120.200 0.051 0.000 2.129 381 E HA 0.436 4.720 4.350 -0.110 0.000 0.268 381 E C -0.670 175.887 176.600 -0.072 0.000 0.900 381 E CA -0.444 55.973 56.400 0.029 0.000 0.755 381 E CB 1.761 31.459 29.700 -0.005 0.000 1.117 381 E HN 0.605 nan 8.360 nan 0.000 0.410 382 T N 1.793 116.379 114.554 0.053 0.000 2.882 382 T HA 0.334 4.618 4.350 -0.110 0.000 0.287 382 T C 0.551 175.270 174.700 0.031 0.000 0.992 382 T CA -0.608 61.511 62.100 0.032 0.000 1.076 382 T CB 1.256 70.310 68.868 0.310 0.000 0.961 382 T HN 0.553 nan 8.240 nan 0.000 0.490 383 G N 0.836 109.660 108.800 0.040 0.000 2.594 383 G HA2 0.080 3.975 3.960 -0.110 0.000 0.243 383 G HA3 0.080 3.975 3.960 -0.110 0.000 0.243 383 G C 0.579 175.510 174.900 0.051 0.000 1.229 383 G CA -0.382 44.785 45.100 0.111 0.000 0.843 383 G HN 0.764 nan 8.290 nan 0.000 0.578 384 D N -0.319 120.093 120.400 0.019 0.000 2.347 384 D HA -0.031 4.543 4.640 -0.110 0.000 0.213 384 D C 1.433 177.724 176.300 -0.015 0.000 0.985 384 D CA 0.093 54.101 54.000 0.014 0.000 0.879 384 D CB 0.309 41.120 40.800 0.019 0.000 0.919 384 D HN 0.532 nan 8.370 nan 0.000 0.526 385 R N 1.575 122.024 120.500 -0.084 0.000 2.784 385 R HA 0.109 4.383 4.340 -0.110 0.000 0.266 385 R C 0.331 176.641 176.300 0.015 0.000 1.044 385 R CA -0.319 55.734 56.100 -0.079 0.000 1.151 385 R CB 0.521 30.696 30.300 -0.209 0.000 1.037 385 R HN -0.116 nan 8.270 nan 0.000 0.478 386 E N 1.363 121.593 120.200 0.050 0.000 2.480 386 E HA -0.182 4.102 4.350 -0.110 0.000 0.258 386 E C -0.539 176.189 176.600 0.214 0.000 0.984 386 E CA 0.281 56.714 56.400 0.056 0.000 0.930 386 E CB 0.137 29.865 29.700 0.046 0.000 0.936 386 E HN 0.779 nan 8.360 nan 0.000 0.466 387 H N 0.843 120.044 119.070 0.219 0.000 3.270 387 H HA -0.192 4.305 4.556 -0.099 0.000 0.215 387 H C 0.790 176.392 175.328 0.457 0.000 1.133 387 H CA 0.764 56.993 56.048 0.303 0.000 1.150 387 H CB -1.664 28.259 29.762 0.269 0.000 1.166 387 H HN 0.571 nan 8.280 nan 0.000 0.315 388 A N 0.659 123.715 122.820 0.393 0.000 2.015 388 A HA 0.191 4.445 4.320 -0.110 0.000 0.219 388 A C 1.964 179.804 177.584 0.427 0.000 1.163 388 A CA 1.293 53.501 52.037 0.285 0.000 0.646 388 A CB -0.297 18.759 19.000 0.094 0.000 0.806 388 A HN 0.471 nan 8.150 nan 0.000 0.448 389 G N -1.825 107.202 108.800 0.377 0.000 2.651 389 G HA2 0.445 4.339 3.960 -0.110 0.000 0.260 389 G HA3 0.445 4.339 3.960 -0.110 0.000 0.260 389 G C -0.268 174.819 174.900 0.312 0.000 1.216 389 G CA 0.663 45.978 45.100 0.358 0.000 0.913 389 G HN 0.389 nan 8.290 nan 0.000 0.535 390 T N -1.568 113.073 114.554 0.144 0.000 2.885 390 T HA 0.398 4.682 4.350 -0.110 0.000 0.322 390 T C -0.967 173.740 174.700 0.011 0.000 1.387 390 T CA -0.140 61.975 62.100 0.026 0.000 1.041 390 T CB 1.752 70.499 68.868 -0.202 0.000 1.287 390 T HN 0.579 nan 8.240 nan 0.000 0.491 391 D N 1.213 121.622 120.400 0.016 0.000 2.513 391 D HA 0.380 4.954 4.640 -0.110 0.000 0.222 391 D C 0.762 177.054 176.300 -0.013 0.000 1.210 391 D CA -0.253 53.754 54.000 0.012 0.000 0.825 391 D CB -0.003 40.823 40.800 0.044 0.000 1.037 391 D HN 0.639 nan 8.370 nan 0.000 0.506 392 A N 0.376 123.164 122.820 -0.054 0.000 2.448 392 A HA 0.429 4.683 4.320 -0.110 0.000 0.239 392 A C 0.550 178.084 177.584 -0.083 0.000 1.080 392 A CA 0.013 52.009 52.037 -0.068 0.000 0.779 392 A CB 0.011 18.954 19.000 -0.095 0.000 1.026 392 A HN 0.148 nan 8.150 nan 0.000 0.499 393 T N 2.629 117.148 114.554 -0.059 0.000 2.814 393 T HA 0.423 4.707 4.350 -0.110 0.000 0.297 393 T C 0.006 174.665 174.700 -0.068 0.000 0.956 393 T CA 0.222 62.296 62.100 -0.043 0.000 1.123 393 T CB -0.032 68.830 68.868 -0.011 0.000 0.902 393 T HN 0.339 nan 8.240 nan 0.000 0.528 394 I N 4.171 124.702 120.570 -0.066 0.000 2.433 394 I HA 0.425 4.529 4.170 -0.110 0.000 0.292 394 I C 0.793 176.913 176.117 0.006 0.000 1.001 394 I CA -0.711 60.542 61.300 -0.079 0.000 1.119 394 I CB 1.537 39.399 38.000 -0.230 0.000 1.289 394 I HN 0.708 nan 8.210 nan 0.000 0.438 395 T N 4.225 118.830 114.554 0.085 0.000 2.916 395 T HA 0.812 5.096 4.350 -0.110 0.000 0.292 395 T C -0.517 174.328 174.700 0.240 0.000 1.064 395 T CA -0.788 61.409 62.100 0.162 0.000 1.011 395 T CB 2.722 71.723 68.868 0.221 0.000 1.152 395 T HN 0.496 nan 8.240 nan 0.000 0.510 396 I N 0.329 121.010 120.570 0.185 0.000 2.619 396 I HA 0.646 4.750 4.170 -0.110 0.000 0.292 396 I C -0.976 175.054 176.117 -0.146 0.000 1.100 396 I CA -1.202 60.126 61.300 0.046 0.000 1.043 396 I CB 2.074 40.041 38.000 -0.055 0.000 1.239 396 I HN 0.802 nan 8.210 nan 0.000 0.420 397 R N 7.742 128.010 120.500 -0.387 0.000 2.494 397 R HA 0.691 4.965 4.340 -0.110 0.000 0.305 397 R C -1.759 174.283 176.300 -0.431 0.000 0.959 397 R CA -0.589 55.152 56.100 -0.599 0.000 0.864 397 R CB 1.518 31.102 30.300 -1.194 0.000 1.159 397 R HN 0.631 nan 8.270 nan 0.000 0.446 398 I N 2.939 123.278 120.570 -0.384 0.000 2.433 398 I HA 0.342 4.446 4.170 -0.110 0.000 0.292 398 I C -0.451 175.518 176.117 -0.248 0.000 1.001 398 I CA -0.740 60.334 61.300 -0.377 0.000 1.119 398 I CB 2.367 40.022 38.000 -0.575 0.000 1.289 398 I HN 0.543 nan 8.210 nan 0.000 0.438 399 T N 3.955 118.391 114.554 -0.196 0.000 2.861 399 T HA 0.739 5.023 4.350 -0.110 0.000 0.287 399 T C 0.008 174.674 174.700 -0.058 0.000 1.003 399 T CA -0.633 61.407 62.100 -0.100 0.000 0.977 399 T CB 2.024 70.839 68.868 -0.090 0.000 0.996 399 T HN 0.907 nan 8.240 nan 0.000 0.448 400 G N 0.205 109.005 108.800 0.000 0.000 2.827 400 G HA2 0.630 4.524 3.960 -0.110 0.000 0.296 400 G HA3 0.630 4.524 3.960 -0.110 0.000 0.296 400 G C 0.792 175.726 174.900 0.056 0.000 1.362 400 G CA -0.092 45.020 45.100 0.019 0.000 0.809 400 G HN 0.707 nan 8.290 nan 0.000 0.522 401 A N -0.367 122.489 122.820 0.061 0.000 1.908 401 A HA 0.021 4.275 4.320 -0.110 0.000 0.218 401 A C 1.921 179.556 177.584 0.085 0.000 1.181 401 A CA 1.895 53.972 52.037 0.066 0.000 0.627 401 A CB -0.355 18.681 19.000 0.060 0.000 0.818 401 A HN 0.492 nan 8.150 nan 0.000 0.445 402 K N -1.181 119.288 120.400 0.114 0.000 2.444 402 K HA 0.345 4.600 4.320 -0.110 0.000 0.193 402 K C 0.860 177.647 176.600 0.311 0.000 1.024 402 K CA 0.389 56.777 56.287 0.168 0.000 1.077 402 K CB 0.196 32.761 32.500 0.107 0.000 0.833 402 K HN 0.597 nan 8.250 nan 0.000 0.517 403 G N 1.954 110.902 108.800 0.247 0.000 2.240 403 G HA2 -0.073 3.821 3.960 -0.110 0.000 0.199 403 G HA3 -0.073 3.821 3.960 -0.110 0.000 0.199 403 G C -1.658 173.313 174.900 0.117 0.000 1.342 403 G CA -0.714 44.489 45.100 0.171 0.000 1.145 403 G HN 0.255 nan 8.290 nan 0.000 0.477 404 R N -0.992 119.505 120.500 -0.005 0.000 2.664 404 R HA 0.683 4.957 4.340 -0.110 0.000 0.266 404 R C -0.109 176.153 176.300 -0.064 0.000 1.046 404 R CA 0.080 56.162 56.100 -0.029 0.000 0.885 404 R CB 1.080 31.315 30.300 -0.108 0.000 1.254 404 R HN 1.257 nan 8.270 nan 0.000 0.465 405 T N -0.891 113.640 114.554 -0.037 0.000 2.816 405 T HA 0.269 4.554 4.350 -0.110 0.000 0.282 405 T C 0.064 174.695 174.700 -0.116 0.000 0.993 405 T CA -0.666 61.429 62.100 -0.009 0.000 0.994 405 T CB 0.752 69.609 68.868 -0.018 0.000 1.025 405 T HN 0.523 nan 8.240 nan 0.000 0.529 406 D N -0.127 120.241 120.400 -0.054 0.000 2.363 406 D HA 0.116 4.690 4.640 -0.110 0.000 0.240 406 D C -0.251 175.986 176.300 -0.104 0.000 1.236 406 D CA 0.133 54.101 54.000 -0.053 0.000 0.927 406 D CB 0.115 40.927 40.800 0.020 0.000 1.150 406 D HN 0.574 nan 8.370 nan 0.000 0.458 407 Y N 0.141 120.414 120.300 -0.044 0.000 2.569 407 Y HA 0.092 4.578 4.550 -0.108 0.000 0.332 407 Y C 0.384 176.273 175.900 -0.018 0.000 1.120 407 Y CA 0.170 58.244 58.100 -0.044 0.000 1.416 407 Y CB 0.244 38.667 38.460 -0.061 0.000 1.210 407 Y HN -0.032 nan 8.280 nan 0.000 0.528 408 L N 5.100 126.384 121.223 0.102 0.000 2.329 408 L HA 0.411 4.685 4.340 -0.110 0.000 0.279 408 L C -0.080 176.840 176.870 0.083 0.000 1.014 408 L CA -1.344 53.545 54.840 0.081 0.000 0.814 408 L CB 1.120 43.215 42.059 0.059 0.000 1.257 408 L HN 0.366 nan 8.230 nan 0.000 0.424 409 K N 3.748 124.191 120.400 0.072 0.000 2.379 409 K HA 0.322 4.576 4.320 -0.110 0.000 0.284 409 K C -0.582 176.023 176.600 0.009 0.000 1.044 409 K CA 0.075 56.389 56.287 0.046 0.000 0.974 409 K CB 0.689 33.218 32.500 0.049 0.000 0.962 409 K HN 0.502 nan 8.250 nan 0.000 0.474 410 L N 3.716 124.889 121.223 -0.084 0.000 2.371 410 L HA 0.217 4.491 4.340 -0.110 0.000 0.262 410 L C 0.283 177.012 176.870 -0.234 0.000 1.054 410 L CA -0.200 54.427 54.840 -0.355 0.000 0.924 410 L CB 0.619 42.306 42.059 -0.620 0.000 1.295 410 L HN 0.431 nan 8.230 nan 0.000 0.441 411 D N 1.807 122.219 120.400 0.021 0.000 2.636 411 D HA 0.148 4.722 4.640 -0.110 0.000 0.270 411 D C 0.312 176.660 176.300 0.080 0.000 1.430 411 D CA 0.179 54.202 54.000 0.038 0.000 0.796 411 D CB 0.809 41.626 40.800 0.028 0.000 1.117 411 D HN 0.331 nan 8.370 nan 0.000 0.480 412 K N 0.098 120.610 120.400 0.187 0.000 2.394 412 K HA 0.771 5.025 4.320 -0.110 0.000 0.260 412 K C 0.511 177.113 176.600 0.002 0.000 0.967 412 K CA -0.162 56.167 56.287 0.071 0.000 0.855 412 K CB 0.959 33.486 32.500 0.045 0.000 1.101 412 K HN 0.341 nan 8.250 nan 0.000 0.433 413 G N 0.835 109.597 108.800 -0.064 0.000 2.661 413 G HA2 0.132 4.026 3.960 -0.110 0.000 0.685 413 G HA3 0.132 4.026 3.960 -0.110 0.000 0.685 413 G C 0.219 175.006 174.900 -0.188 0.000 1.298 413 G CA -0.053 44.974 45.100 -0.121 0.000 0.855 413 G HN 1.867 nan 8.290 nan 0.000 0.560 419 E N 1.399 121.753 120.200 0.257 0.000 2.314 419 E HA 0.607 4.891 4.350 -0.110 0.000 0.262 419 E C 0.098 176.833 176.600 0.225 0.000 1.093 419 E CA -0.532 55.986 56.400 0.197 0.000 0.908 419 E CB 1.509 31.281 29.700 0.119 0.000 1.091 419 E HN 0.517 nan 8.360 nan 0.000 0.425 420 A N 0.306 123.232 122.820 0.177 0.000 2.540 420 A HA 0.375 4.629 4.320 -0.110 0.000 0.239 420 A C 1.226 178.880 177.584 0.118 0.000 1.061 420 A CA 0.871 52.998 52.037 0.148 0.000 0.758 420 A CB -0.506 18.556 19.000 0.102 0.000 0.991 420 A HN 0.772 nan 8.150 nan 0.000 0.502 421 G N 1.453 110.320 108.800 0.111 0.000 2.179 421 G HA2 -0.204 3.690 3.960 -0.110 0.000 0.260 421 G HA3 -0.204 3.690 3.960 -0.110 0.000 0.260 421 G C 0.615 175.578 174.900 0.106 0.000 0.977 421 G CA 0.958 46.111 45.100 0.089 0.000 0.641 421 G HN 2.185 nan 8.290 nan 0.000 0.533 422 S N -0.712 115.077 115.700 0.149 0.000 2.592 422 S HA 0.697 5.102 4.470 -0.110 0.000 0.271 422 S C 0.000 174.705 174.600 0.175 0.000 1.326 422 S CA 0.802 59.098 58.200 0.160 0.000 1.024 422 S CB 1.813 65.131 63.200 0.197 0.000 0.921 422 S HN 1.647 nan 8.310 nan 0.000 0.527 423 K N 1.809 122.296 120.400 0.144 0.000 2.559 423 K HA 0.560 4.814 4.320 -0.110 0.000 0.249 423 K C -0.887 175.794 176.600 0.134 0.000 0.958 423 K CA -0.847 55.526 56.287 0.142 0.000 0.901 423 K CB 0.675 33.232 32.500 0.095 0.000 1.124 423 K HN 0.740 nan 8.250 nan 0.000 0.437 424 E N 1.612 121.940 120.200 0.212 0.000 2.222 424 E HA 0.357 4.641 4.350 -0.110 0.000 0.267 424 E C -0.818 175.829 176.600 0.079 0.000 0.884 424 E CA -0.689 55.785 56.400 0.123 0.000 0.764 424 E CB 2.110 31.969 29.700 0.265 0.000 1.169 424 E HN 0.654 nan 8.360 nan 0.000 0.413 425 Q N 1.626 121.281 119.800 -0.242 0.000 2.309 425 Q HA 0.533 4.807 4.340 -0.110 0.000 0.264 425 Q C -1.103 174.522 176.000 -0.625 0.000 1.008 425 Q CA -0.668 55.018 55.803 -0.195 0.000 0.853 425 Q CB 1.791 30.470 28.738 -0.099 0.000 1.314 425 Q HN 0.425 nan 8.270 nan 0.000 0.448 426 Y N -0.303 120.054 120.300 0.096 0.000 2.512 426 Y HA 0.439 4.924 4.550 -0.108 0.000 0.348 426 Y C -0.284 175.673 175.900 0.095 0.000 0.990 426 Y CA -0.847 57.306 58.100 0.089 0.000 1.033 426 Y CB 2.623 41.153 38.460 0.116 0.000 1.259 426 Y HN 0.398 nan 8.280 nan 0.000 0.461 427 T N 3.214 117.896 114.554 0.213 0.000 2.892 427 T HA 0.531 4.815 4.350 -0.110 0.000 0.311 427 T C -0.790 174.013 174.700 0.172 0.000 1.033 427 T CA -0.659 61.539 62.100 0.163 0.000 0.991 427 T CB 0.093 69.017 68.868 0.094 0.000 0.981 427 T HN 0.532 nan 8.240 nan 0.000 0.457 428 V N 1.508 121.544 119.914 0.203 0.000 2.919 428 V HA 0.733 4.787 4.120 -0.110 0.000 0.316 428 V C -0.743 175.473 176.094 0.203 0.000 1.077 428 V CA -0.976 61.440 62.300 0.193 0.000 0.977 428 V CB 2.198 34.139 31.823 0.197 0.000 1.039 428 V HN 0.730 nan 8.190 nan 0.000 0.441 429 Q N 0.484 120.382 119.800 0.164 0.000 2.337 429 Q HA 0.738 5.012 4.340 -0.110 0.000 0.270 429 Q C -0.404 175.705 176.000 0.181 0.000 1.043 429 Q CA -0.113 55.768 55.803 0.130 0.000 0.794 429 Q CB 2.153 30.905 28.738 0.024 0.000 1.281 429 Q HN 1.312 nan 8.270 nan 0.000 0.446 430 G N 1.359 110.307 108.800 0.246 0.000 2.606 430 G HA2 0.309 4.204 3.960 -0.110 0.000 0.300 430 G HA3 0.309 4.204 3.960 -0.110 0.000 0.300 430 G C -1.678 173.412 174.900 0.316 0.000 1.360 430 G CA -0.889 44.389 45.100 0.295 0.000 0.783 430 G HN 0.577 nan 8.290 nan 0.000 0.484 431 F N 1.280 121.328 119.950 0.164 0.000 2.579 431 F HA 0.160 4.621 4.527 -0.110 0.000 0.397 431 F C 0.660 176.572 175.800 0.188 0.000 1.027 431 F CA 0.068 58.148 58.000 0.134 0.000 1.217 431 F CB 0.691 39.738 39.000 0.078 0.000 0.986 431 F HN 0.333 nan 8.300 nan 0.000 0.551 432 D N 5.911 125.993 120.400 -0.530 0.000 2.348 432 D HA 0.032 4.606 4.640 -0.110 0.000 0.259 432 D C 0.927 176.994 176.300 -0.388 0.000 1.296 432 D CA 0.061 53.836 54.000 -0.376 0.000 0.931 432 D CB 0.678 41.242 40.800 -0.394 0.000 1.067 432 D HN 0.411 nan 8.370 nan 0.000 0.503 433 V N 2.389 122.336 119.914 0.054 0.000 3.573 433 V HA 0.338 4.392 4.120 -0.110 0.000 0.270 433 V C 1.359 177.497 176.094 0.073 0.000 1.221 433 V CA 0.626 63.012 62.300 0.144 0.000 1.163 433 V CB -0.941 30.980 31.823 0.164 0.000 0.847 433 V HN 0.693 nan 8.190 nan 0.000 0.468 434 G N 1.369 110.184 108.800 0.025 0.000 2.574 434 G HA2 -0.409 3.485 3.960 -0.110 0.000 0.286 434 G HA3 -0.409 3.485 3.960 -0.110 0.000 0.286 434 G C -0.162 174.787 174.900 0.083 0.000 1.212 434 G CA 0.641 45.767 45.100 0.043 0.000 0.979 434 G HN 0.898 nan 8.290 nan 0.000 0.557 435 D N 0.660 121.117 120.400 0.095 0.000 2.417 435 D HA 0.411 4.985 4.640 -0.110 0.000 0.250 435 D C 0.851 177.163 176.300 0.021 0.000 1.166 435 D CA -0.114 53.971 54.000 0.141 0.000 0.881 435 D CB 0.130 41.021 40.800 0.153 0.000 1.164 435 D HN 0.495 nan 8.370 nan 0.000 0.467 436 I N 3.633 124.069 120.570 -0.224 0.000 2.474 436 I HA 0.062 4.166 4.170 -0.110 0.000 0.287 436 I C 1.309 177.329 176.117 -0.160 0.000 1.048 436 I CA 0.063 61.142 61.300 -0.369 0.000 1.383 436 I CB 1.301 38.774 38.000 -0.878 0.000 1.412 436 I HN 0.534 nan 8.210 nan 0.000 0.531 437 Q N 5.425 125.210 119.800 -0.026 0.000 2.431 437 Q HA 0.291 4.566 4.340 -0.110 0.000 0.244 437 Q C -0.810 175.294 176.000 0.173 0.000 0.880 437 Q CA 0.247 56.098 55.803 0.079 0.000 0.954 437 Q CB 0.913 29.693 28.738 0.070 0.000 1.105 437 Q HN 0.622 nan 8.270 nan 0.000 0.558 438 L N -2.183 119.109 121.223 0.115 0.000 2.838 438 L HA 0.629 4.903 4.340 -0.110 0.000 0.266 438 L C -1.256 175.517 176.870 -0.161 0.000 1.040 438 L CA -1.336 53.560 54.840 0.094 0.000 0.906 438 L CB 1.124 43.195 42.059 0.020 0.000 1.501 438 L HN 0.027 nan 8.230 nan 0.000 0.407 439 I N -2.553 117.798 120.570 -0.366 0.000 3.074 439 I HA 0.842 4.946 4.170 -0.110 0.000 0.310 439 I C -1.310 174.584 176.117 -0.372 0.000 1.153 439 I CA -0.635 60.380 61.300 -0.474 0.000 0.993 439 I CB 2.569 40.114 38.000 -0.759 0.000 1.237 439 I HN 0.771 nan 8.210 nan 0.000 0.443 440 E N 3.706 123.732 120.200 -0.290 0.000 2.234 440 E HA 0.578 4.862 4.350 -0.110 0.000 0.266 440 E C -1.472 175.107 176.600 -0.035 0.000 0.877 440 E CA -0.692 55.618 56.400 -0.150 0.000 0.758 440 E CB 2.990 32.652 29.700 -0.063 0.000 1.170 440 E HN 0.454 nan 8.360 nan 0.000 0.415 441 L N 2.732 123.950 121.223 -0.008 0.000 2.307 441 L HA 0.423 4.697 4.340 -0.110 0.000 0.282 441 L C -0.378 176.605 176.870 0.189 0.000 1.051 441 L CA -0.650 54.240 54.840 0.084 0.000 0.804 441 L CB 0.667 42.729 42.059 0.006 0.000 1.197 441 L HN 0.549 nan 8.230 nan 0.000 0.431 442 H N 1.705 120.846 119.070 0.119 0.000 2.489 442 H HA 0.409 4.901 4.556 -0.107 0.000 0.343 442 H C -0.783 174.535 175.328 -0.017 0.000 1.086 442 H CA -0.296 55.741 56.048 -0.018 0.000 1.198 442 H CB 1.901 31.480 29.762 -0.305 0.000 1.490 442 H HN 0.505 nan 8.280 nan 0.000 0.504 443 S N 2.493 117.845 115.700 -0.580 0.000 2.451 443 S HA 0.114 4.518 4.470 -0.110 0.000 0.301 443 S C 0.477 174.723 174.600 -0.589 0.000 1.116 443 S CA -0.614 57.349 58.200 -0.395 0.000 1.093 443 S CB 0.681 63.778 63.200 -0.171 0.000 1.017 443 S HN 0.846 nan 8.310 nan 0.000 0.482 444 D N 3.189 123.432 120.400 -0.262 0.000 2.363 444 D HA 0.130 4.704 4.640 -0.110 0.000 0.226 444 D C 1.348 177.591 176.300 -0.094 0.000 1.020 444 D CA 0.847 54.779 54.000 -0.113 0.000 0.892 444 D CB -0.607 40.185 40.800 -0.014 0.000 0.900 444 D HN 1.029 nan 8.370 nan 0.000 0.531 445 G N -0.887 107.843 108.800 -0.117 0.000 2.179 445 G HA2 0.001 3.895 3.960 -0.110 0.000 0.260 445 G HA3 0.001 3.895 3.960 -0.110 0.000 0.260 445 G C 0.817 175.690 174.900 -0.046 0.000 0.977 445 G CA 0.341 45.397 45.100 -0.073 0.000 0.641 445 G HN 1.431 nan 8.290 nan 0.000 0.533 446 G N -1.659 107.118 108.800 -0.038 0.000 2.746 446 G HA2 0.489 4.383 3.960 -0.110 0.000 0.685 446 G HA3 0.489 4.383 3.960 -0.110 0.000 0.685 446 G C 0.723 175.622 174.900 -0.002 0.000 1.350 446 G CA 0.542 45.634 45.100 -0.013 0.000 0.837 446 G HN 2.005 nan 8.290 nan 0.000 0.564 447 G N -1.359 107.458 108.800 0.028 0.000 2.532 447 G HA2 0.570 4.464 3.960 -0.110 0.000 0.291 447 G HA3 0.570 4.464 3.960 -0.110 0.000 0.291 447 G C 0.870 175.768 174.900 -0.003 0.000 1.349 447 G CA 0.561 45.685 45.100 0.040 0.000 1.038 447 G HN 1.361 nan 8.290 nan 0.000 0.518 448 Y N -0.991 119.206 120.300 -0.172 0.000 2.181 448 Y HA -0.236 4.252 4.550 -0.104 0.000 0.284 448 Y C 2.214 177.895 175.900 -0.365 0.000 1.179 448 Y CA 2.101 59.982 58.100 -0.365 0.000 1.179 448 Y CB -0.026 38.073 38.460 -0.601 0.000 0.973 448 Y HN 0.513 nan 8.280 nan 0.000 0.519 449 W N -0.200 121.123 121.300 0.039 0.000 3.077 449 W HA 0.176 4.771 4.660 -0.108 0.000 0.266 449 W C 0.766 177.262 176.519 -0.039 0.000 1.300 449 W CA 0.098 57.442 57.345 -0.002 0.000 1.586 449 W CB -0.066 29.444 29.460 0.082 0.000 1.103 449 W HN -0.277 nan 8.180 nan 0.000 0.652 450 S N 0.989 116.763 115.700 0.124 0.000 2.498 450 S HA 0.144 4.548 4.470 -0.110 0.000 0.281 450 S C 1.324 175.945 174.600 0.035 0.000 1.265 450 S CA 0.297 58.544 58.200 0.079 0.000 1.071 450 S CB 1.094 64.317 63.200 0.038 0.000 0.894 450 S HN 0.370 nan 8.310 nan 0.000 0.491 451 G N 1.958 110.796 108.800 0.063 0.000 2.404 451 G HA2 -0.058 3.836 3.960 -0.110 0.000 0.214 451 G HA3 -0.058 3.836 3.960 -0.110 0.000 0.214 451 G C 0.201 175.093 174.900 -0.014 0.000 1.189 451 G CA 0.416 45.536 45.100 0.033 0.000 0.789 451 G HN 0.669 nan 8.290 nan 0.000 0.533 452 D N -0.651 119.762 120.400 0.021 0.000 2.552 452 D HA 0.298 4.872 4.640 -0.110 0.000 0.285 452 D C -1.439 174.905 176.300 0.073 0.000 1.206 452 D CA -1.367 52.625 54.000 -0.014 0.000 0.826 452 D CB 1.314 42.036 40.800 -0.129 0.000 1.179 452 D HN 0.032 nan 8.370 nan 0.000 0.508 453 P HA -0.053 nan 4.420 nan 0.000 0.225 453 P C -0.262 177.122 177.300 0.141 0.000 1.148 453 P CA 0.388 63.526 63.100 0.063 0.000 0.779 453 P CB 0.219 31.925 31.700 0.010 0.000 0.780 454 D N 0.059 120.555 120.400 0.161 0.000 2.472 454 D HA 0.032 4.606 4.640 -0.110 0.000 0.237 454 D C -0.430 176.263 176.300 0.654 0.000 1.141 454 D CA 0.570 54.765 54.000 0.325 0.000 0.875 454 D CB 0.074 40.953 40.800 0.132 0.000 1.192 454 D HN 0.117 nan 8.370 nan 0.000 0.450 455 W N 4.337 125.906 121.300 0.447 0.000 2.647 455 W HA 0.368 4.957 4.660 -0.119 0.000 0.328 455 W C -1.905 174.633 176.519 0.030 0.000 1.018 455 W CA -1.572 55.896 57.345 0.206 0.000 1.245 455 W CB 0.401 29.855 29.460 -0.011 0.000 1.356 455 W HN 0.194 nan 8.180 nan 0.000 0.443 456 F N 7.109 126.811 119.950 -0.414 0.000 2.371 456 F HA 0.543 5.000 4.527 -0.117 0.000 0.363 456 F C -0.595 174.726 175.800 -0.798 0.000 1.122 456 F CA -0.513 56.915 58.000 -0.953 0.000 1.129 456 F CB 0.650 38.774 39.000 -1.460 0.000 1.173 456 F HN -0.039 nan 8.300 nan 0.000 0.489 457 V N 7.700 126.876 119.914 -1.231 0.000 2.394 457 V HA 0.152 4.206 4.120 -0.110 0.000 0.282 457 V C 0.768 176.235 176.094 -1.044 0.000 1.031 457 V CA -0.395 61.235 62.300 -1.118 0.000 0.881 457 V CB 1.289 32.352 31.823 -1.266 0.000 0.982 457 V HN 0.862 nan 8.190 nan 0.000 0.451 458 N N 3.662 121.875 118.700 -0.811 0.000 2.062 458 N HA 0.001 4.675 4.740 -0.110 0.000 0.191 458 N C 0.620 175.505 175.510 -1.042 0.000 1.042 458 N CA 0.872 53.219 53.050 -1.171 0.000 0.845 458 N CB 0.202 38.240 38.487 -0.749 0.000 1.024 458 N HN 0.759 nan 8.380 nan 0.000 0.424 459 R N -0.897 119.274 120.500 -0.547 0.000 2.753 459 R HA 0.402 4.676 4.340 -0.110 0.000 0.272 459 R C -2.227 173.987 176.300 -0.142 0.000 1.034 459 R CA -0.737 55.196 56.100 -0.279 0.000 0.869 459 R CB 0.943 31.171 30.300 -0.121 0.000 1.264 459 R HN -0.237 nan 8.270 nan 0.000 0.481 460 V N 2.560 122.467 119.914 -0.012 0.000 2.680 460 V HA 0.583 4.637 4.120 -0.110 0.000 0.309 460 V C -0.226 176.008 176.094 0.233 0.000 1.052 460 V CA -0.744 61.595 62.300 0.065 0.000 0.908 460 V CB 1.826 33.627 31.823 -0.036 0.000 1.001 460 V HN 0.594 nan 8.190 nan 0.000 0.431 461 I N 5.159 125.858 120.570 0.216 0.000 2.436 461 I HA 0.561 4.665 4.170 -0.110 0.000 0.289 461 I C -0.850 175.435 176.117 0.280 0.000 1.010 461 I CA -0.358 61.096 61.300 0.256 0.000 1.098 461 I CB 1.896 39.998 38.000 0.169 0.000 1.266 461 I HN 0.412 nan 8.210 nan 0.000 0.434 462 I N 6.650 127.449 120.570 0.381 0.000 2.608 462 I HA 0.518 4.622 4.170 -0.110 0.000 0.295 462 I C -0.697 175.667 176.117 0.411 0.000 1.049 462 I CA -0.666 60.854 61.300 0.366 0.000 1.063 462 I CB 2.568 40.773 38.000 0.342 0.000 1.248 462 I HN 0.353 nan 8.210 nan 0.000 0.424 463 I N 3.694 124.467 120.570 0.338 0.000 2.447 463 I HA 0.272 4.376 4.170 -0.110 0.000 0.287 463 I C -0.147 176.159 176.117 0.316 0.000 1.023 463 I CA -0.434 61.045 61.300 0.298 0.000 1.083 463 I CB 2.060 40.163 38.000 0.172 0.000 1.245 463 I HN 0.488 nan 8.210 nan 0.000 0.434 464 S N 2.869 118.776 115.700 0.346 0.000 2.554 464 S HA 0.198 4.602 4.470 -0.110 0.000 0.278 464 S C 1.214 175.845 174.600 0.053 0.000 1.242 464 S CA -0.408 57.915 58.200 0.204 0.000 1.051 464 S CB 1.270 64.645 63.200 0.292 0.000 0.986 464 S HN 0.740 nan 8.310 nan 0.000 0.502 465 S N 2.505 118.158 115.700 -0.079 0.000 2.507 465 S HA -0.085 4.319 4.470 -0.110 0.000 0.235 465 S C 1.498 176.061 174.600 -0.063 0.000 0.988 465 S CA 1.163 59.323 58.200 -0.066 0.000 0.944 465 S CB -0.761 62.377 63.200 -0.103 0.000 0.762 465 S HN 0.913 nan 8.310 nan 0.000 0.526 466 T N -2.080 112.436 114.554 -0.062 0.000 3.040 466 T HA 0.253 4.537 4.350 -0.110 0.000 0.250 466 T C 0.411 175.121 174.700 0.016 0.000 1.058 466 T CA -0.395 61.678 62.100 -0.046 0.000 0.988 466 T CB 0.023 68.840 68.868 -0.086 0.000 0.993 466 T HN 0.241 nan 8.240 nan 0.000 0.519 467 Q N 0.788 120.629 119.800 0.069 0.000 2.387 467 Q HA 0.393 4.667 4.340 -0.110 0.000 0.273 467 Q C -0.427 175.610 176.000 0.062 0.000 1.089 467 Q CA -0.627 55.238 55.803 0.104 0.000 0.824 467 Q CB 2.104 30.989 28.738 0.245 0.000 1.367 467 Q HN 0.167 nan 8.270 nan 0.000 0.443 468 D N 0.546 120.957 120.400 0.019 0.000 2.349 468 D HA 0.032 4.606 4.640 -0.110 0.000 0.215 468 D C -0.017 176.235 176.300 -0.080 0.000 1.016 468 D CA 0.357 54.345 54.000 -0.020 0.000 0.870 468 D CB 0.703 41.489 40.800 -0.024 0.000 0.917 468 D HN 0.213 nan 8.370 nan 0.000 0.524 469 R N 0.421 120.822 120.500 -0.164 0.000 2.539 469 R HA 0.329 4.603 4.340 -0.110 0.000 0.275 469 R C -0.232 175.821 176.300 -0.411 0.000 1.077 469 R CA -0.336 55.521 56.100 -0.405 0.000 1.097 469 R CB 1.538 31.372 30.300 -0.777 0.000 1.018 469 R HN -0.213 nan 8.270 nan 0.000 0.483 470 V N 4.224 123.938 119.914 -0.333 0.000 2.383 470 V HA 0.178 4.232 4.120 -0.110 0.000 0.275 470 V C -0.799 175.122 176.094 -0.288 0.000 1.036 470 V CA -0.405 61.785 62.300 -0.184 0.000 0.889 470 V CB 0.448 32.230 31.823 -0.068 0.000 0.985 470 V HN 0.547 nan 8.190 nan 0.000 0.459 471 Y N 2.780 123.102 120.300 0.036 0.000 2.328 471 Y HA 0.504 4.988 4.550 -0.110 0.000 0.337 471 Y C 0.661 176.481 175.900 -0.134 0.000 1.008 471 Y CA -0.126 57.921 58.100 -0.087 0.000 1.129 471 Y CB 1.817 40.281 38.460 0.006 0.000 1.185 471 Y HN 0.543 nan 8.280 nan 0.000 0.476 472 S N 4.231 119.818 115.700 -0.189 0.000 2.498 472 S HA 0.629 5.033 4.470 -0.110 0.000 0.317 472 S C -1.404 173.016 174.600 -0.300 0.000 1.090 472 S CA -0.607 57.532 58.200 -0.100 0.000 1.089 472 S CB -0.006 63.183 63.200 -0.018 0.000 0.997 472 S HN 0.438 nan 8.310 nan 0.000 0.470 473 F N 6.316 126.296 119.950 0.049 0.000 2.359 473 F HA 0.399 4.860 4.527 -0.110 0.000 0.370 473 F C -1.978 173.803 175.800 -0.031 0.000 1.077 473 F CA -2.178 55.826 58.000 0.006 0.000 1.136 473 F CB 1.320 40.289 39.000 -0.052 0.000 1.387 473 F HN 0.345 nan 8.300 nan 0.000 0.468 474 P HA 0.116 nan 4.420 nan 0.000 0.275 474 P C -0.114 177.220 177.300 0.058 0.000 1.228 474 P CA -0.030 63.149 63.100 0.132 0.000 0.786 474 P CB 2.587 34.412 31.700 0.210 0.000 0.927 475 C N 2.434 121.695 119.300 -0.066 0.000 3.226 475 C HA 0.352 4.747 4.460 -0.110 0.000 0.173 475 C C 0.233 175.157 174.990 -0.111 0.000 2.588 475 C CA 0.101 59.007 59.018 -0.186 0.000 1.088 475 C CB -1.287 26.198 27.740 -0.425 0.000 1.236 475 C HN 0.543 nan 8.230 nan 0.000 0.720 476 F N 1.963 121.649 119.950 -0.441 0.000 3.071 476 F HA -0.095 4.365 4.527 -0.111 0.000 0.295 476 F C 0.241 175.736 175.800 -0.509 0.000 0.919 476 F CA 1.073 58.801 58.000 -0.453 0.000 1.050 476 F CB -1.502 37.462 39.000 -0.060 0.000 1.040 476 F HN 0.493 nan 8.300 nan 0.000 0.692 477 R N -2.077 117.927 120.500 -0.828 0.000 2.739 477 R HA 0.402 4.676 4.340 -0.110 0.000 0.271 477 R C -1.153 174.751 176.300 -0.660 0.000 1.010 477 R CA -1.165 54.714 56.100 -0.368 0.000 0.897 477 R CB 0.967 31.297 30.300 0.050 0.000 1.236 477 R HN 0.079 nan 8.270 nan 0.000 0.466 478 W N 1.248 122.507 121.300 -0.068 0.000 2.251 478 W HA 0.183 4.802 4.660 -0.069 0.000 0.327 478 W C 0.122 176.586 176.519 -0.091 0.000 1.361 478 W CA -0.128 57.210 57.345 -0.011 0.000 1.234 478 W CB 0.551 30.090 29.460 0.132 0.000 1.212 478 W HN 0.070 nan 8.180 nan 0.000 0.557 479 V N 6.845 126.819 119.914 0.100 0.000 2.364 479 V HA 0.059 4.113 4.120 -0.110 0.000 0.272 479 V C 0.983 177.190 176.094 0.188 0.000 1.036 479 V CA -0.421 61.923 62.300 0.074 0.000 0.880 479 V CB 0.371 32.178 31.823 -0.026 0.000 0.991 479 V HN 0.528 nan 8.190 nan 0.000 0.460 480 I N 3.596 124.232 120.570 0.109 0.000 2.594 480 I HA 0.132 4.236 4.170 -0.110 0.000 0.237 480 I C 1.833 177.945 176.117 -0.008 0.000 1.071 480 I CA 1.059 62.395 61.300 0.061 0.000 1.427 480 I CB -0.454 37.558 38.000 0.020 0.000 1.218 480 I HN 0.611 nan 8.210 nan 0.000 0.444 481 K N -0.337 120.040 120.400 -0.039 0.000 2.354 481 K HA 0.127 4.381 4.320 -0.110 0.000 0.210 481 K C -0.255 176.277 176.600 -0.114 0.000 1.184 481 K CA 0.178 56.392 56.287 -0.122 0.000 0.880 481 K CB 0.904 33.366 32.500 -0.063 0.000 1.328 481 K HN 0.141 nan 8.250 nan 0.000 0.466 482 D N 0.813 121.213 120.400 0.001 0.000 2.481 482 D HA 0.266 4.840 4.640 -0.110 0.000 0.244 482 D C -1.259 175.049 176.300 0.012 0.000 1.057 482 D CA -0.419 53.613 54.000 0.053 0.000 0.848 482 D CB 2.207 43.068 40.800 0.102 0.000 1.388 482 D HN 0.038 nan 8.370 nan 0.000 0.475 483 M N 1.903 121.498 119.600 -0.009 0.000 2.224 483 M HA 0.255 4.669 4.480 -0.110 0.000 0.281 483 M C -2.086 174.135 176.300 -0.132 0.000 1.025 483 M CA -0.626 54.629 55.300 -0.076 0.000 0.954 483 M CB 1.880 34.405 32.600 -0.124 0.000 1.639 483 M HN 0.048 nan 8.290 nan 0.000 0.461 484 V N 6.339 126.145 119.914 -0.181 0.000 2.407 484 V HA 0.573 4.627 4.120 -0.110 0.000 0.278 484 V C -0.398 175.398 176.094 -0.497 0.000 1.037 484 V CA -0.532 61.571 62.300 -0.329 0.000 0.900 484 V CB 1.162 32.782 31.823 -0.338 0.000 0.983 484 V HN 0.807 nan 8.190 nan 0.000 0.459 485 L N 4.986 125.891 121.223 -0.530 0.000 2.362 485 L HA 0.671 4.945 4.340 -0.110 0.000 0.271 485 L C -1.019 175.617 176.870 -0.391 0.000 1.002 485 L CA -0.383 54.206 54.840 -0.418 0.000 0.818 485 L CB 2.011 43.963 42.059 -0.178 0.000 1.298 485 L HN 0.468 nan 8.230 nan 0.000 0.420 486 F N 1.978 122.047 119.950 0.197 0.000 2.492 486 F HA 0.597 5.058 4.527 -0.110 0.000 0.327 486 F C -2.086 173.766 175.800 0.087 0.000 1.079 486 F CA -2.519 55.593 58.000 0.187 0.000 0.967 486 F CB 0.881 39.903 39.000 0.036 0.000 1.169 486 F HN 0.214 nan 8.300 nan 0.000 0.472 487 P HA 0.372 nan 4.420 nan 0.000 0.279 487 P C 0.346 177.546 177.300 -0.167 0.000 1.252 487 P CA 0.139 62.913 63.100 -0.542 0.000 0.811 487 P CB 1.373 32.703 31.700 -0.618 0.000 1.035 488 G N 2.005 110.702 108.800 -0.172 0.000 2.552 488 G HA2 -0.224 3.670 3.960 -0.110 0.000 0.265 488 G HA3 -0.224 3.670 3.960 -0.110 0.000 0.265 488 G C -0.562 174.339 174.900 0.002 0.000 1.234 488 G CA -0.058 45.008 45.100 -0.058 0.000 0.944 488 G HN 0.574 nan 8.290 nan 0.000 0.568 489 E N 0.686 120.905 120.200 0.031 0.000 2.374 489 E HA 0.593 4.877 4.350 -0.110 0.000 0.260 489 E C 1.006 177.637 176.600 0.051 0.000 1.101 489 E CA 0.369 56.828 56.400 0.098 0.000 0.907 489 E CB 0.750 30.533 29.700 0.137 0.000 1.014 489 E HN 1.161 nan 8.360 nan 0.000 0.427 490 A N 1.548 124.404 122.820 0.060 0.000 2.507 490 A HA 0.411 4.665 4.320 -0.110 0.000 0.235 490 A C 0.091 177.579 177.584 -0.160 0.000 1.070 490 A CA 0.228 52.158 52.037 -0.177 0.000 0.768 490 A CB -0.170 18.543 19.000 -0.477 0.000 1.011 490 A HN 0.606 nan 8.150 nan 0.000 0.502 491 T N -0.196 114.164 114.554 -0.323 0.000 2.903 491 T HA 0.623 4.907 4.350 -0.110 0.000 0.299 491 T C -0.334 174.035 174.700 -0.552 0.000 1.093 491 T CA -0.832 61.065 62.100 -0.340 0.000 1.002 491 T CB 0.727 69.425 68.868 -0.284 0.000 1.127 491 T HN 0.498 nan 8.240 nan 0.000 0.488 492 L N 2.301 123.132 121.223 -0.653 0.000 2.436 492 L HA 0.321 4.595 4.340 -0.110 0.000 0.265 492 L C -1.094 175.395 176.870 -0.635 0.000 1.168 492 L CA -2.347 52.005 54.840 -0.814 0.000 0.815 492 L CB 0.693 42.030 42.059 -1.203 0.000 1.109 492 L HN 0.495 nan 8.230 nan 0.000 0.462 493 P HA -0.187 nan 4.420 nan 0.000 0.220 493 P C 1.139 178.351 177.300 -0.147 0.000 1.148 493 P CA 1.458 64.436 63.100 -0.204 0.000 0.803 493 P CB -0.028 31.654 31.700 -0.029 0.000 0.782 494 F N -1.091 118.830 119.950 -0.047 0.000 2.743 494 F HA 0.225 4.686 4.527 -0.109 0.000 0.297 494 F C 0.447 176.217 175.800 -0.050 0.000 1.131 494 F CA -1.100 56.879 58.000 -0.036 0.000 1.426 494 F CB -2.040 36.952 39.000 -0.014 0.000 1.116 494 F HN -0.257 nan 8.300 nan 0.000 0.583 495 N N 2.695 121.177 118.700 -0.364 0.000 2.412 495 N HA -0.084 4.590 4.740 -0.110 0.000 0.254 495 N C -0.046 175.417 175.510 -0.080 0.000 1.232 495 N CA 0.005 52.946 53.050 -0.181 0.000 0.880 495 N CB 0.350 38.682 38.487 -0.259 0.000 1.076 495 N HN 0.347 nan 8.380 nan 0.000 0.458 496 E N 2.335 122.524 120.200 -0.018 0.000 2.366 496 E HA 0.139 4.423 4.350 -0.110 0.000 0.266 496 E C -0.794 175.789 176.600 -0.027 0.000 1.015 496 E CA -0.382 56.015 56.400 -0.005 0.000 0.906 496 E CB 0.495 30.203 29.700 0.015 0.000 0.979 496 E HN 0.343 nan 8.360 nan 0.000 0.443 497 V N 1.485 121.383 119.914 -0.027 0.000 3.147 497 V HA 0.538 4.592 4.120 -0.110 0.000 0.306 497 V C -2.602 173.489 176.094 -0.004 0.000 1.209 497 V CA -2.199 60.085 62.300 -0.028 0.000 1.023 497 V CB 0.925 32.705 31.823 -0.072 0.000 1.059 497 V HN 0.594 nan 8.190 nan 0.000 0.435 498 P HA 0.268 nan 4.420 nan 0.000 0.266 498 P C 0.949 178.262 177.300 0.023 0.000 1.193 498 P CA 0.651 63.767 63.100 0.026 0.000 0.770 498 P CB 0.720 32.446 31.700 0.043 0.000 0.836 499 A N 2.935 125.769 122.820 0.024 0.000 1.908 499 A HA -0.196 4.059 4.320 -0.110 0.000 0.218 499 A C 1.988 179.591 177.584 0.031 0.000 1.181 499 A CA 1.476 53.527 52.037 0.023 0.000 0.627 499 A CB -1.251 17.763 19.000 0.022 0.000 0.818 499 A HN 0.699 nan 8.150 nan 0.000 0.445 500 I N -0.323 120.272 120.570 0.041 0.000 2.676 500 I HA -0.142 3.962 4.170 -0.110 0.000 0.259 500 I C 1.961 178.136 176.117 0.097 0.000 1.194 500 I CA 0.877 62.209 61.300 0.055 0.000 1.473 500 I CB 0.035 38.061 38.000 0.043 0.000 1.096 500 I HN 0.176 nan 8.210 nan 0.000 0.443 501 V N 0.282 120.255 119.914 0.099 0.000 2.307 501 V HA -0.242 3.812 4.120 -0.110 0.000 0.245 501 V C 2.517 178.620 176.094 0.015 0.000 1.045 501 V CA 2.072 64.449 62.300 0.129 0.000 1.024 501 V CB -0.540 31.320 31.823 0.061 0.000 0.651 501 V HN 0.391 nan 8.190 nan 0.000 0.449 502 S N -0.403 115.287 115.700 -0.018 0.000 2.368 502 S HA -0.222 4.182 4.470 -0.110 0.000 0.225 502 S C 1.916 176.521 174.600 0.008 0.000 1.030 502 S CA 1.689 59.868 58.200 -0.035 0.000 0.999 502 S CB -0.240 62.948 63.200 -0.020 0.000 0.844 502 S HN 0.705 nan 8.310 nan 0.000 0.459 503 E N 0.829 121.051 120.200 0.037 0.000 2.031 503 E HA -0.146 4.138 4.350 -0.110 0.000 0.193 503 E C 2.387 179.031 176.600 0.074 0.000 0.994 503 E CA 0.919 57.347 56.400 0.048 0.000 0.800 503 E CB -0.121 29.605 29.700 0.044 0.000 0.752 503 E HN 0.243 nan 8.360 nan 0.000 0.447 504 Q N 0.385 120.257 119.800 0.121 0.000 2.135 504 Q HA -0.187 4.087 4.340 -0.110 0.000 0.204 504 Q C 2.090 178.224 176.000 0.223 0.000 0.981 504 Q CA 1.320 57.235 55.803 0.187 0.000 0.856 504 Q CB -0.295 28.621 28.738 0.296 0.000 0.902 504 Q HN 0.226 nan 8.270 nan 0.000 0.425 505 R N -0.052 120.535 120.500 0.144 0.000 2.090 505 R HA -0.109 4.165 4.340 -0.110 0.000 0.228 505 R C 1.934 178.255 176.300 0.035 0.000 1.110 505 R CA 0.849 56.971 56.100 0.037 0.000 0.973 505 R CB 0.222 30.396 30.300 -0.210 0.000 0.869 505 R HN 0.118 nan 8.270 nan 0.000 0.440 506 Q N 0.594 120.414 119.800 0.034 0.000 2.084 506 Q HA -0.128 4.146 4.340 -0.110 0.000 0.202 506 Q C 2.177 178.210 176.000 0.055 0.000 0.978 506 Q CA 1.399 57.226 55.803 0.040 0.000 0.844 506 Q CB -0.323 28.437 28.738 0.037 0.000 0.898 506 Q HN 0.102 nan 8.270 nan 0.000 0.426 507 K N 0.835 121.274 120.400 0.065 0.000 2.074 507 K HA -0.197 4.057 4.320 -0.110 0.000 0.209 507 K C 1.997 178.639 176.600 0.071 0.000 1.048 507 K CA 1.613 57.939 56.287 0.064 0.000 0.926 507 K CB -0.349 32.190 32.500 0.064 0.000 0.713 507 K HN 0.563 nan 8.250 nan 0.000 0.444 508 E N -0.061 120.191 120.200 0.086 0.000 2.110 508 E HA -0.161 4.123 4.350 -0.110 0.000 0.193 508 E C 2.077 178.726 176.600 0.081 0.000 0.988 508 E CA 1.421 57.872 56.400 0.086 0.000 0.804 508 E CB -0.105 29.657 29.700 0.104 0.000 0.745 508 E HN 0.381 nan 8.360 nan 0.000 0.458 509 L N 0.514 121.777 121.223 0.067 0.000 2.072 509 L HA -0.125 4.149 4.340 -0.110 0.000 0.205 509 L C 2.426 179.349 176.870 0.089 0.000 1.079 509 L CA 1.202 56.085 54.840 0.072 0.000 0.752 509 L CB -0.273 41.819 42.059 0.056 0.000 0.906 509 L HN 0.117 nan 8.230 nan 0.000 0.436 510 E N -0.097 120.149 120.200 0.076 0.000 2.070 510 E HA -0.306 3.978 4.350 -0.110 0.000 0.197 510 E C 2.231 178.878 176.600 0.077 0.000 1.004 510 E CA 1.489 57.933 56.400 0.074 0.000 0.805 510 E CB -0.131 29.605 29.700 0.059 0.000 0.744 510 E HN 0.483 nan 8.360 nan 0.000 0.451 511 Q N 0.176 120.022 119.800 0.077 0.000 2.077 511 Q HA -0.170 4.104 4.340 -0.110 0.000 0.206 511 Q C 2.250 178.317 176.000 0.111 0.000 0.989 511 Q CA 1.220 57.068 55.803 0.075 0.000 0.853 511 Q CB -0.037 28.744 28.738 0.071 0.000 0.907 511 Q HN 0.125 nan 8.270 nan 0.000 0.418 512 R N 0.716 121.317 120.500 0.169 0.000 2.105 512 R HA -0.113 4.161 4.340 -0.110 0.000 0.239 512 R C 1.904 178.371 176.300 0.279 0.000 1.135 512 R CA 1.258 57.539 56.100 0.302 0.000 0.967 512 R CB -0.201 30.265 30.300 0.277 0.000 0.861 512 R HN 0.221 nan 8.270 nan 0.000 0.442 513 K N 0.371 120.873 120.400 0.169 0.000 2.296 513 K HA 0.047 4.301 4.320 -0.110 0.000 0.200 513 K C 2.104 178.756 176.600 0.086 0.000 1.048 513 K CA 0.498 56.865 56.287 0.132 0.000 0.966 513 K CB 0.052 32.624 32.500 0.121 0.000 0.754 513 K HN 0.081 nan 8.250 nan 0.000 0.466 514 L N -0.000 121.261 121.223 0.063 0.000 2.109 514 L HA -0.114 4.160 4.340 -0.110 0.000 0.207 514 L C 2.042 178.887 176.870 -0.041 0.000 1.086 514 L CA 1.096 55.946 54.840 0.016 0.000 0.760 514 L CB -0.374 41.690 42.059 0.008 0.000 0.910 514 L HN 0.135 nan 8.230 nan 0.000 0.437 515 T N -2.000 112.516 114.554 -0.064 0.000 2.937 515 T HA -0.054 4.230 4.350 -0.110 0.000 0.260 515 T C -0.070 174.367 174.700 -0.438 0.000 1.051 515 T CA 0.883 62.810 62.100 -0.288 0.000 1.141 515 T CB -0.097 68.546 68.868 -0.375 0.000 0.879 515 T HN 0.050 nan 8.240 nan 0.000 0.459 516 Y N 1.955 122.202 120.300 -0.088 0.000 2.478 516 Y HA 0.492 4.989 4.550 -0.088 0.000 0.329 516 Y C 0.236 176.028 175.900 -0.181 0.000 0.967 516 Y CA -0.983 57.032 58.100 -0.141 0.000 1.255 516 Y CB 0.748 39.161 38.460 -0.079 0.000 1.103 516 Y HN 0.039 nan 8.280 nan 0.000 0.497 517 Q N 1.763 121.497 119.800 -0.108 0.000 2.387 517 Q HA 0.340 4.614 4.340 -0.110 0.000 0.273 517 Q C -1.180 174.698 176.000 -0.202 0.000 1.089 517 Q CA -1.084 54.650 55.803 -0.114 0.000 0.824 517 Q CB 2.351 31.063 28.738 -0.043 0.000 1.367 517 Q HN 0.609 nan 8.270 nan 0.000 0.443 518 W N 0.936 122.187 121.300 -0.083 0.000 2.184 518 W HA 0.285 4.883 4.660 -0.103 0.000 0.338 518 W C 0.142 176.434 176.519 -0.380 0.000 1.257 518 W CA 0.685 57.880 57.345 -0.250 0.000 1.243 518 W CB 0.756 30.078 29.460 -0.230 0.000 1.122 518 W HN 0.579 nan 8.180 nan 0.000 0.585 519 D N -0.126 120.060 120.400 -0.356 0.000 2.599 519 D HA 0.430 5.004 4.640 -0.110 0.000 0.252 519 D C -1.971 173.912 176.300 -0.694 0.000 1.232 519 D CA -0.756 53.012 54.000 -0.388 0.000 0.819 519 D CB 1.149 41.855 40.800 -0.156 0.000 1.401 519 D HN 0.220 nan 8.370 nan 0.000 0.429 520 Y N 0.690 121.027 120.300 0.063 0.000 2.470 520 Y HA 0.331 4.818 4.550 -0.105 0.000 0.341 520 Y C 0.741 176.641 175.900 -0.001 0.000 1.021 520 Y CA -0.985 57.129 58.100 0.024 0.000 1.025 520 Y CB 2.140 40.600 38.460 0.000 0.000 1.266 520 Y HN 0.154 nan 8.280 nan 0.000 0.448 521 V N 1.120 121.103 119.914 0.114 0.000 2.548 521 V HA -0.065 3.989 4.120 -0.110 0.000 0.249 521 V C 0.625 176.752 176.094 0.056 0.000 1.055 521 V CA 1.829 64.159 62.300 0.051 0.000 1.065 521 V CB -0.001 31.825 31.823 0.005 0.000 0.681 521 V HN 0.851 nan 8.190 nan 0.000 0.462 522 S N -2.657 113.090 115.700 0.078 0.000 2.683 522 S HA 0.215 4.619 4.470 -0.110 0.000 0.269 522 S C -0.224 174.393 174.600 0.029 0.000 1.165 522 S CA -0.288 57.940 58.200 0.046 0.000 0.840 522 S CB 0.952 64.166 63.200 0.024 0.000 1.169 522 S HN 0.007 nan 8.310 nan 0.000 0.490 523 D N 0.670 121.069 120.400 -0.001 0.000 2.312 523 D HA 0.120 4.694 4.640 -0.110 0.000 0.211 523 D C 0.057 176.393 176.300 0.061 0.000 0.964 523 D CA 0.946 54.918 54.000 -0.045 0.000 0.877 523 D CB -0.126 40.653 40.800 -0.035 0.000 0.924 523 D HN 0.534 nan 8.370 nan 0.000 0.515 524 D N -0.378 120.107 120.400 0.141 0.000 2.501 524 D HA 0.091 4.665 4.640 -0.110 0.000 0.226 524 D C 0.323 176.767 176.300 0.239 0.000 1.198 524 D CA -0.023 54.166 54.000 0.315 0.000 0.830 524 D CB 0.663 41.589 40.800 0.211 0.000 1.014 524 D HN 0.081 nan 8.370 nan 0.000 0.496 525 M N 1.176 120.804 119.600 0.046 0.000 2.530 525 M HA 0.363 4.777 4.480 -0.110 0.000 0.307 525 M C -2.591 173.459 176.300 -0.417 0.000 1.161 525 M CA -2.289 52.848 55.300 -0.272 0.000 0.903 525 M CB 2.260 34.775 32.600 -0.142 0.000 1.711 525 M HN -0.334 nan 8.290 nan 0.000 0.451 526 P HA 0.116 nan 4.420 nan 0.000 0.269 526 P C 0.177 177.478 177.300 0.001 0.000 1.215 526 P CA -0.058 62.744 63.100 -0.497 0.000 0.780 526 P CB 0.220 31.560 31.700 -0.600 0.000 0.898 527 G N 2.261 111.202 108.800 0.235 0.000 2.491 527 G HA2 0.187 4.081 3.960 -0.110 0.000 0.238 527 G HA3 0.187 4.081 3.960 -0.110 0.000 0.238 527 G C 0.084 175.171 174.900 0.313 0.000 1.277 527 G CA -0.520 44.768 45.100 0.315 0.000 0.851 527 G HN 0.781 nan 8.290 nan 0.000 0.573 528 N N 0.666 119.426 118.700 0.101 0.000 2.469 528 N HA 0.346 5.020 4.740 -0.110 0.000 0.286 528 N C -0.730 174.725 175.510 -0.091 0.000 1.275 528 N CA -1.003 52.058 53.050 0.018 0.000 0.790 528 N CB 2.166 40.642 38.487 -0.017 0.000 1.446 528 N HN 0.435 nan 8.380 nan 0.000 0.501 529 I N 0.209 120.711 120.570 -0.113 0.000 2.588 529 I HA 0.041 4.145 4.170 -0.110 0.000 0.283 529 I C 0.576 176.613 176.117 -0.133 0.000 1.119 529 I CA -0.329 60.880 61.300 -0.151 0.000 1.419 529 I CB 0.466 38.400 38.000 -0.110 0.000 1.394 529 I HN 0.515 nan 8.210 nan 0.000 0.562 530 K N 6.841 127.156 120.400 -0.140 0.000 2.378 530 K HA 0.547 4.801 4.320 -0.110 0.000 0.288 530 K C -1.104 175.420 176.600 -0.126 0.000 1.057 530 K CA -0.121 56.097 56.287 -0.115 0.000 0.971 530 K CB 0.428 32.869 32.500 -0.097 0.000 0.975 530 K HN 0.734 nan 8.250 nan 0.000 0.475 531 A N 3.063 125.816 122.820 -0.110 0.000 2.547 531 A HA 0.433 4.687 4.320 -0.110 0.000 0.298 531 A C 0.125 177.655 177.584 -0.090 0.000 1.062 531 A CA -0.351 51.614 52.037 -0.119 0.000 0.748 531 A CB 1.090 19.998 19.000 -0.153 0.000 1.288 531 A HN 0.703 nan 8.150 nan 0.000 0.396 532 K N 0.565 120.916 120.400 -0.081 0.000 2.002 532 K HA 0.261 4.515 4.320 -0.110 0.000 0.209 532 K C 1.130 177.699 176.600 -0.051 0.000 1.048 532 K CA 2.706 58.958 56.287 -0.058 0.000 0.930 532 K CB -0.761 31.708 32.500 -0.052 0.000 0.714 532 K HN 2.140 nan 8.250 nan 0.000 0.438 533 T N -5.394 109.125 114.554 -0.058 0.000 2.838 533 T HA 0.310 4.594 4.350 -0.110 0.000 0.292 533 T C 0.751 175.423 174.700 -0.047 0.000 1.113 533 T CA 0.022 62.101 62.100 -0.035 0.000 1.008 533 T CB 1.146 70.007 68.868 -0.011 0.000 1.259 533 T HN 0.317 nan 8.240 nan 0.000 0.520 534 H N 0.677 119.677 119.070 -0.117 0.000 2.321 534 H HA -0.140 4.354 4.556 -0.103 0.000 0.295 534 H C 0.838 176.087 175.328 -0.131 0.000 1.102 534 H CA 2.573 58.531 56.048 -0.149 0.000 1.266 534 H CB -0.271 29.394 29.762 -0.163 0.000 1.363 534 H HN 0.634 nan 8.280 nan 0.000 0.492 535 D N 0.392 120.796 120.400 0.007 0.000 2.350 535 D HA -0.094 4.480 4.640 -0.110 0.000 0.216 535 D C 1.761 177.967 176.300 -0.156 0.000 0.968 535 D CA 0.414 54.372 54.000 -0.070 0.000 0.894 535 D CB -0.369 40.434 40.800 0.004 0.000 0.909 535 D HN 0.511 nan 8.370 nan 0.000 0.520 536 D N 0.121 120.428 120.400 -0.155 0.000 2.178 536 D HA -0.039 4.535 4.640 -0.110 0.000 0.202 536 D C 0.796 176.956 176.300 -0.234 0.000 0.974 536 D CA 0.246 54.144 54.000 -0.170 0.000 0.841 536 D CB 0.429 41.145 40.800 -0.141 0.000 0.953 536 D HN 0.221 nan 8.370 nan 0.000 0.478 537 L N 2.442 123.489 121.223 -0.295 0.000 2.483 537 L HA 0.076 4.350 4.340 -0.110 0.000 0.276 537 L C -1.960 174.705 176.870 -0.343 0.000 1.213 537 L CA -1.407 53.230 54.840 -0.338 0.000 0.843 537 L CB -0.079 41.740 42.059 -0.401 0.000 1.107 537 L HN -0.128 nan 8.230 nan 0.000 0.487 538 P HA 0.003 nan 4.420 nan 0.000 0.268 538 P C 0.107 177.241 177.300 -0.276 0.000 1.205 538 P CA -0.134 62.762 63.100 -0.341 0.000 0.771 538 P CB 0.558 31.981 31.700 -0.462 0.000 0.858 539 R N 1.920 122.267 120.500 -0.256 0.000 2.159 539 R HA -0.163 4.111 4.340 -0.110 0.000 0.237 539 R C 1.196 177.464 176.300 -0.053 0.000 1.131 539 R CA 1.504 57.419 56.100 -0.307 0.000 0.982 539 R CB -0.291 29.627 30.300 -0.638 0.000 0.868 539 R HN 0.442 nan 8.270 nan 0.000 0.453 540 D N -0.496 119.951 120.400 0.080 0.000 2.218 540 D HA -0.121 4.453 4.640 -0.110 0.000 0.204 540 D C 1.470 177.880 176.300 0.183 0.000 0.976 540 D CA 1.485 55.647 54.000 0.270 0.000 0.853 540 D CB 0.287 41.136 40.800 0.083 0.000 0.939 540 D HN 0.316 nan 8.370 nan 0.000 0.481 541 V N -2.413 117.484 119.914 -0.028 0.000 3.528 541 V HA 0.224 4.278 4.120 -0.110 0.000 0.294 541 V C 0.604 176.673 176.094 -0.042 0.000 1.404 541 V CA -0.422 61.871 62.300 -0.011 0.000 1.065 541 V CB -0.091 31.638 31.823 -0.157 0.000 0.904 541 V HN -0.136 nan 8.190 nan 0.000 0.435 542 Q N 0.538 120.305 119.800 -0.055 0.000 2.417 542 Q HA 0.346 4.620 4.340 -0.110 0.000 0.241 542 Q C -0.474 175.727 176.000 0.335 0.000 1.008 542 Q CA -0.677 55.071 55.803 -0.092 0.000 0.901 542 Q CB 0.715 29.337 28.738 -0.193 0.000 1.259 542 Q HN 0.456 nan 8.270 nan 0.000 0.489 543 F N 1.336 121.523 119.950 0.396 0.000 2.629 543 F HA -0.078 4.384 4.527 -0.109 0.000 0.369 543 F C 1.231 177.235 175.800 0.339 0.000 1.125 543 F CA -0.179 58.004 58.000 0.304 0.000 1.330 543 F CB -0.114 38.986 39.000 0.166 0.000 1.071 543 F HN 0.482 nan 8.300 nan 0.000 0.595 544 T N -0.265 114.614 114.554 0.541 0.000 2.855 544 T HA 0.015 4.299 4.350 -0.110 0.000 0.314 544 T C 0.924 175.779 174.700 0.259 0.000 1.077 544 T CA -0.381 61.917 62.100 0.331 0.000 1.095 544 T CB 0.494 69.469 68.868 0.179 0.000 0.987 544 T HN 0.494 nan 8.240 nan 0.000 0.546 545 D N 0.839 121.375 120.400 0.228 0.000 2.123 545 D HA -0.071 4.503 4.640 -0.110 0.000 0.196 545 D C 2.032 178.407 176.300 0.125 0.000 0.992 545 D CA 1.448 55.561 54.000 0.189 0.000 0.833 545 D CB -0.143 40.792 40.800 0.225 0.000 0.954 545 D HN 0.754 nan 8.370 nan 0.000 0.455 546 E N 0.274 120.530 120.200 0.093 0.000 2.097 546 E HA -0.195 4.090 4.350 -0.110 0.000 0.196 546 E C 1.742 178.350 176.600 0.014 0.000 1.000 546 E CA 0.982 57.412 56.400 0.049 0.000 0.804 546 E CB 0.005 29.723 29.700 0.031 0.000 0.740 546 E HN -0.006 nan 8.360 nan 0.000 0.454 547 K N 0.058 120.439 120.400 -0.032 0.000 2.186 547 K HA 0.157 4.411 4.320 -0.110 0.000 0.202 547 K C 2.159 178.623 176.600 -0.227 0.000 1.052 547 K CA 0.623 56.760 56.287 -0.250 0.000 0.965 547 K CB -0.233 31.951 32.500 -0.527 0.000 0.746 547 K HN -0.005 nan 8.250 nan 0.000 0.457 548 S N 0.659 116.373 115.700 0.023 0.000 2.370 548 S HA -0.147 4.257 4.470 -0.110 0.000 0.226 548 S C 1.989 176.687 174.600 0.162 0.000 1.033 548 S CA 1.421 59.736 58.200 0.191 0.000 1.011 548 S CB -0.139 63.169 63.200 0.180 0.000 0.852 548 S HN 0.353 nan 8.310 nan 0.000 0.457 549 R N 0.646 121.208 120.500 0.103 0.000 2.075 549 R HA -0.053 4.221 4.340 -0.110 0.000 0.232 549 R C 2.577 178.921 176.300 0.073 0.000 1.126 549 R CA 1.600 57.751 56.100 0.084 0.000 0.963 549 R CB -0.544 29.797 30.300 0.069 0.000 0.858 549 R HN 0.378 nan 8.270 nan 0.000 0.435 550 S N -0.417 115.318 115.700 0.058 0.000 2.382 550 S HA -0.220 4.185 4.470 -0.110 0.000 0.228 550 S C 1.806 176.456 174.600 0.082 0.000 1.027 550 S CA 1.314 59.547 58.200 0.054 0.000 0.991 550 S CB -0.424 62.795 63.200 0.031 0.000 0.823 550 S HN 0.585 nan 8.310 nan 0.000 0.469 551 Y N 1.455 121.744 120.300 -0.019 0.000 2.220 551 Y HA 0.028 4.512 4.550 -0.110 0.000 0.291 551 Y C 2.536 178.473 175.900 0.063 0.000 1.129 551 Y CA 1.841 59.960 58.100 0.033 0.000 1.161 551 Y CB -0.481 38.043 38.460 0.106 0.000 0.997 551 Y HN 0.230 nan 8.280 nan 0.000 0.522 552 Q N 0.347 120.129 119.800 -0.031 0.000 2.123 552 Q HA -0.141 4.133 4.340 -0.110 0.000 0.199 552 Q C 1.990 177.937 176.000 -0.088 0.000 0.966 552 Q CA 1.315 57.050 55.803 -0.115 0.000 0.845 552 Q CB -0.161 28.594 28.738 0.029 0.000 0.907 552 Q HN 0.568 nan 8.270 nan 0.000 0.439 553 E N 0.373 120.561 120.200 -0.019 0.000 2.150 553 E HA -0.098 4.186 4.350 -0.110 0.000 0.193 553 E C 2.015 178.642 176.600 0.046 0.000 0.985 553 E CA 1.207 57.617 56.400 0.016 0.000 0.814 553 E CB -0.075 29.651 29.700 0.044 0.000 0.752 553 E HN 0.371 nan 8.360 nan 0.000 0.466 554 S N 0.740 116.457 115.700 0.029 0.000 2.387 554 S HA -0.046 4.358 4.470 -0.110 0.000 0.226 554 S C 1.896 176.577 174.600 0.136 0.000 1.026 554 S CA 0.303 58.596 58.200 0.154 0.000 0.972 554 S CB -0.075 63.115 63.200 -0.017 0.000 0.814 554 S HN 0.088 nan 8.310 nan 0.000 0.477 555 R N 1.787 122.234 120.500 -0.088 0.000 2.096 555 R HA 0.053 4.327 4.340 -0.110 0.000 0.235 555 R C 2.305 178.596 176.300 -0.015 0.000 1.127 555 R CA 1.336 57.383 56.100 -0.088 0.000 0.968 555 R CB -0.479 29.678 30.300 -0.239 0.000 0.861 555 R HN 0.561 nan 8.270 nan 0.000 0.440 556 K N 0.404 120.791 120.400 -0.021 0.000 2.031 556 K HA 0.002 4.256 4.320 -0.110 0.000 0.205 556 K C 2.203 178.784 176.600 -0.032 0.000 1.049 556 K CA 1.242 57.516 56.287 -0.022 0.000 0.939 556 K CB -0.150 32.338 32.500 -0.020 0.000 0.717 556 K HN 0.096 nan 8.250 nan 0.000 0.438 557 A N 1.672 124.485 122.820 -0.012 0.000 1.933 557 A HA -0.089 4.165 4.320 -0.110 0.000 0.218 557 A C 2.377 179.823 177.584 -0.230 0.000 1.175 557 A CA 1.717 53.691 52.037 -0.104 0.000 0.628 557 A CB -0.612 18.365 19.000 -0.038 0.000 0.814 557 A HN 0.329 nan 8.150 nan 0.000 0.444 558 A N -0.065 122.739 122.820 -0.026 0.000 1.883 558 A HA -0.097 4.158 4.320 -0.110 0.000 0.217 558 A C 2.163 179.756 177.584 0.015 0.000 1.186 558 A CA 1.577 53.674 52.037 0.101 0.000 0.624 558 A CB -0.602 18.613 19.000 0.357 0.000 0.822 558 A HN 0.476 nan 8.150 nan 0.000 0.444 559 L N -0.599 120.621 121.223 -0.005 0.000 2.093 559 L HA -0.143 4.131 4.340 -0.110 0.000 0.208 559 L C 2.552 179.375 176.870 -0.078 0.000 1.085 559 L CA 1.009 55.837 54.840 -0.020 0.000 0.755 559 L CB -0.572 41.476 42.059 -0.018 0.000 0.904 559 L HN 0.268 nan 8.230 nan 0.000 0.435 560 V N 0.132 119.967 119.914 -0.132 0.000 2.270 560 V HA -0.261 3.793 4.120 -0.110 0.000 0.245 560 V C 2.222 178.165 176.094 -0.251 0.000 1.043 560 V CA 1.841 64.042 62.300 -0.166 0.000 1.014 560 V CB -0.671 31.054 31.823 -0.164 0.000 0.645 560 V HN 0.484 nan 8.190 nan 0.000 0.447 561 N N 0.271 118.698 118.700 -0.455 0.000 2.104 561 N HA -0.125 4.549 4.740 -0.110 0.000 0.190 561 N C 1.810 177.130 175.510 -0.316 0.000 1.024 561 N CA 1.343 53.987 53.050 -0.677 0.000 0.853 561 N CB -0.516 36.926 38.487 -1.741 0.000 1.008 561 N HN 0.384 nan 8.380 nan 0.000 0.424 562 L N 0.327 121.489 121.223 -0.102 0.000 2.012 562 L HA -0.119 4.155 4.340 -0.110 0.000 0.210 562 L C 2.435 179.308 176.870 0.005 0.000 1.073 562 L CA 1.531 56.425 54.840 0.090 0.000 0.748 562 L CB -0.842 41.292 42.059 0.124 0.000 0.891 562 L HN 0.235 nan 8.230 nan 0.000 0.431 563 G N -0.151 108.623 108.800 -0.044 0.000 2.402 563 G HA2 -0.187 3.707 3.960 -0.110 0.000 0.216 563 G HA3 -0.187 3.707 3.960 -0.110 0.000 0.216 563 G C 1.568 176.441 174.900 -0.046 0.000 1.162 563 G CA 0.603 45.675 45.100 -0.047 0.000 0.777 563 G HN 0.278 nan 8.290 nan 0.000 0.539 564 I N 1.204 121.733 120.570 -0.068 0.000 2.202 564 I HA -0.032 4.072 4.170 -0.110 0.000 0.242 564 I C 3.110 179.234 176.117 0.011 0.000 1.091 564 I CA 0.981 62.253 61.300 -0.046 0.000 1.368 564 I CB -0.499 37.441 38.000 -0.098 0.000 1.058 564 I HN 0.222 nan 8.210 nan 0.000 0.410 565 G N -0.063 108.739 108.800 0.003 0.000 2.469 565 G HA2 -0.343 3.551 3.960 -0.110 0.000 0.219 565 G HA3 -0.343 3.551 3.960 -0.110 0.000 0.219 565 G C 1.803 176.753 174.900 0.082 0.000 1.150 565 G CA 1.267 46.418 45.100 0.085 0.000 0.763 565 G HN 0.440 nan 8.290 nan 0.000 0.561 566 S N -0.066 115.644 115.700 0.015 0.000 2.383 566 S HA 0.041 4.445 4.470 -0.110 0.000 0.227 566 S C 2.444 176.988 174.600 -0.094 0.000 1.026 566 S CA 0.990 59.157 58.200 -0.055 0.000 0.981 566 S CB -0.254 62.902 63.200 -0.075 0.000 0.818 566 S HN 0.312 nan 8.310 nan 0.000 0.472 567 L N -0.228 120.963 121.223 -0.054 0.000 2.046 567 L HA -0.013 4.261 4.340 -0.110 0.000 0.208 567 L C 2.355 179.195 176.870 -0.049 0.000 1.077 567 L CA 1.696 56.493 54.840 -0.071 0.000 0.747 567 L CB -0.537 41.509 42.059 -0.021 0.000 0.896 567 L HN 0.387 nan 8.230 nan 0.000 0.432 568 F N 0.761 120.665 119.950 -0.076 0.000 2.113 568 F HA -0.226 4.235 4.527 -0.110 0.000 0.297 568 F C 2.559 178.332 175.800 -0.045 0.000 1.103 568 F CA 1.842 59.817 58.000 -0.041 0.000 1.248 568 F CB -0.082 38.909 39.000 -0.016 0.000 0.999 568 F HN 0.094 nan 8.300 nan 0.000 0.475 569 T N -2.070 112.509 114.554 0.041 0.000 3.122 569 T HA 0.029 4.313 4.350 -0.110 0.000 0.250 569 T C 1.767 176.345 174.700 -0.204 0.000 1.067 569 T CA 0.271 62.366 62.100 -0.009 0.000 0.966 569 T CB -0.490 68.451 68.868 0.122 0.000 1.002 569 T HN 0.441 nan 8.240 nan 0.000 0.542 570 M N 0.695 120.082 119.600 -0.354 0.000 2.108 570 M HA -0.022 4.392 4.480 -0.110 0.000 0.257 570 M C 0.201 176.056 176.300 -0.742 0.000 1.071 570 M CA 1.901 56.812 55.300 -0.648 0.000 1.093 570 M CB -0.239 31.785 32.600 -0.960 0.000 1.345 570 M HN 0.410 nan 8.290 nan 0.000 0.403 571 F N 0.176 120.060 119.950 -0.111 0.000 2.850 571 F HA 0.332 4.793 4.527 -0.109 0.000 0.306 571 F C -0.074 175.679 175.800 -0.078 0.000 1.162 571 F CA -0.727 57.216 58.000 -0.095 0.000 1.327 571 F CB 0.158 39.106 39.000 -0.085 0.000 0.953 571 F HN 0.017 nan 8.300 nan 0.000 0.507 572 E N 1.145 121.346 120.200 0.001 0.000 2.249 572 E HA 0.363 4.647 4.350 -0.110 0.000 0.280 572 E C 0.178 176.796 176.600 0.031 0.000 1.016 572 E CA -0.343 56.098 56.400 0.068 0.000 0.830 572 E CB 1.004 30.809 29.700 0.175 0.000 1.081 572 E HN 0.445 nan 8.360 nan 0.000 0.395 573 N N 3.104 121.867 118.700 0.106 0.000 2.426 573 N HA 0.121 4.795 4.740 -0.110 0.000 0.275 573 N C -1.252 174.430 175.510 0.286 0.000 1.019 573 N CA -0.575 52.536 53.050 0.101 0.000 0.941 573 N CB 0.500 39.027 38.487 0.067 0.000 1.123 573 N HN 0.290 nan 8.380 nan 0.000 0.486 574 W N 1.272 122.518 121.300 -0.091 0.000 2.335 574 W HA 0.332 4.926 4.660 -0.110 0.000 0.306 574 W C 0.184 176.655 176.519 -0.080 0.000 1.216 574 W CA -0.383 56.892 57.345 -0.117 0.000 1.237 574 W CB 0.891 30.219 29.460 -0.220 0.000 1.243 574 W HN 0.895 nan 8.180 nan 0.000 0.493 575 D N 0.023 120.467 120.400 0.073 0.000 2.520 575 D HA 0.123 4.698 4.640 -0.110 0.000 0.223 575 D C 0.304 176.579 176.300 -0.042 0.000 1.186 575 D CA -0.085 53.926 54.000 0.019 0.000 0.821 575 D CB 0.328 41.142 40.800 0.023 0.000 1.072 575 D HN 0.026 nan 8.370 nan 0.000 0.518 576 S N -1.626 114.027 115.700 -0.078 0.000 2.651 576 S HA 0.361 4.766 4.470 -0.110 0.000 0.279 576 S C 0.153 174.752 174.600 -0.003 0.000 1.148 576 S CA -0.874 57.278 58.200 -0.080 0.000 0.837 576 S CB 0.445 63.641 63.200 -0.007 0.000 1.138 576 S HN 0.035 nan 8.310 nan 0.000 0.478 577 Y N 0.291 120.711 120.300 0.199 0.000 2.293 577 Y HA -0.063 4.421 4.550 -0.110 0.000 0.291 577 Y C 1.655 177.728 175.900 0.289 0.000 1.137 577 Y CA 0.952 59.207 58.100 0.258 0.000 1.202 577 Y CB -0.053 38.666 38.460 0.431 0.000 0.990 577 Y HN 0.592 nan 8.280 nan 0.000 0.537 578 D N -0.253 120.394 120.400 0.411 0.000 2.363 578 D HA -0.103 4.471 4.640 -0.110 0.000 0.220 578 D C 1.129 177.527 176.300 0.163 0.000 0.994 578 D CA 0.659 54.930 54.000 0.452 0.000 0.890 578 D CB -0.302 40.679 40.800 0.302 0.000 0.906 578 D HN 0.342 nan 8.370 nan 0.000 0.530 579 D N -0.552 119.706 120.400 -0.236 0.000 2.309 579 D HA -0.141 4.433 4.640 -0.110 0.000 0.212 579 D C 1.245 176.877 176.300 -1.114 0.000 0.968 579 D CA 0.622 54.113 54.000 -0.848 0.000 0.882 579 D CB -0.128 39.707 40.800 -1.609 0.000 0.918 579 D HN 0.394 nan 8.370 nan 0.000 0.503 580 Y N -0.198 119.713 120.300 -0.649 0.000 2.523 580 Y HA 0.004 4.488 4.550 -0.110 0.000 0.279 580 Y C 2.218 178.031 175.900 -0.145 0.000 1.139 580 Y CA 0.449 58.262 58.100 -0.477 0.000 1.296 580 Y CB 0.035 38.149 38.460 -0.577 0.000 1.045 580 Y HN 0.189 nan 8.280 nan 0.000 0.538 581 H N -0.602 118.553 119.070 0.141 0.000 2.456 581 H HA -0.146 4.344 4.556 -0.110 0.000 0.296 581 H C 2.238 177.249 175.328 -0.528 0.000 1.079 581 H CA 1.631 57.592 56.048 -0.146 0.000 1.322 581 H CB -0.048 29.630 29.762 -0.140 0.000 1.388 581 H HN 0.416 nan 8.280 nan 0.000 0.538 582 I N 0.948 121.438 120.570 -0.133 0.000 2.614 582 I HA -0.189 3.916 4.170 -0.110 0.000 0.258 582 I C 1.781 177.880 176.117 -0.029 0.000 1.189 582 I CA 0.561 61.806 61.300 -0.092 0.000 1.462 582 I CB -0.026 38.004 38.000 0.049 0.000 1.092 582 I HN 0.100 nan 8.210 nan 0.000 0.442 583 L N -0.027 121.218 121.223 0.038 0.000 2.376 583 L HA -0.138 4.136 4.340 -0.110 0.000 0.219 583 L C 1.870 178.852 176.870 0.187 0.000 1.133 583 L CA 0.832 55.770 54.840 0.164 0.000 0.816 583 L CB -0.648 41.534 42.059 0.205 0.000 0.933 583 L HN 0.491 nan 8.230 nan 0.000 0.449 584 Y N -2.690 117.715 120.300 0.175 0.000 2.444 584 Y HA 0.265 4.749 4.550 -0.110 0.000 0.249 584 Y C 2.287 178.362 175.900 0.293 0.000 1.134 584 Y CA -0.642 57.560 58.100 0.170 0.000 1.261 584 Y CB -0.564 37.948 38.460 0.087 0.000 1.143 584 Y HN -0.148 nan 8.280 nan 0.000 0.523 585 R N 1.942 122.512 120.500 0.118 0.000 2.081 585 R HA -0.139 4.135 4.340 -0.110 0.000 0.235 585 R C 1.151 177.514 176.300 0.106 0.000 1.131 585 R CA 1.711 57.852 56.100 0.069 0.000 0.960 585 R CB -0.190 30.047 30.300 -0.106 0.000 0.856 585 R HN 0.551 nan 8.270 nan 0.000 0.436 586 N N -0.654 118.099 118.700 0.088 0.000 2.322 586 N HA -0.061 4.613 4.740 -0.110 0.000 0.216 586 N C -1.174 174.204 175.510 -0.219 0.000 1.144 586 N CA 0.064 53.061 53.050 -0.090 0.000 0.830 586 N CB -0.032 38.326 38.487 -0.215 0.000 1.034 586 N HN 0.086 nan 8.380 nan 0.000 0.484 587 W N 0.409 121.697 121.300 -0.020 0.000 2.573 587 W HA 0.509 5.103 4.660 -0.111 0.000 0.326 587 W C 0.223 176.743 176.519 0.002 0.000 1.049 587 W CA -0.946 56.361 57.345 -0.064 0.000 1.220 587 W CB 0.982 30.422 29.460 -0.034 0.000 1.373 587 W HN -0.182 nan 8.180 nan 0.000 0.507 588 I N 5.079 125.749 120.570 0.167 0.000 2.372 588 I HA 0.012 4.117 4.170 -0.110 0.000 0.298 588 I C 0.505 176.851 176.117 0.381 0.000 1.137 588 I CA 0.396 61.837 61.300 0.234 0.000 1.314 588 I CB -0.443 37.680 38.000 0.205 0.000 1.444 588 I HN 0.600 nan 8.210 nan 0.000 0.541 589 L N 4.192 125.596 121.223 0.302 0.000 2.701 589 L HA 0.300 4.574 4.340 -0.110 0.000 0.238 589 L C 1.320 178.309 176.870 0.198 0.000 1.106 589 L CA 0.192 55.201 54.840 0.280 0.000 0.898 589 L CB 0.359 42.551 42.059 0.222 0.000 1.188 589 L HN 0.840 nan 8.230 nan 0.000 0.508 590 G N 0.384 109.286 108.800 0.170 0.000 2.164 590 G HA2 0.063 3.957 3.960 -0.110 0.000 0.212 590 G HA3 0.063 3.957 3.960 -0.110 0.000 0.212 590 G C 0.420 175.375 174.900 0.091 0.000 1.031 590 G CA -0.078 45.099 45.100 0.128 0.000 0.730 590 G HN 0.780 nan 8.290 nan 0.000 0.501 591 G N -1.694 107.158 108.800 0.087 0.000 2.697 591 G HA2 0.431 4.325 3.960 -0.110 0.000 0.684 591 G HA3 0.431 4.325 3.960 -0.110 0.000 0.684 591 G C -0.087 174.826 174.900 0.022 0.000 1.274 591 G CA 0.064 45.196 45.100 0.053 0.000 0.806 591 G HN 1.500 nan 8.290 nan 0.000 0.644 592 T N 3.760 118.319 114.554 0.009 0.000 2.903 592 T HA 0.287 4.571 4.350 -0.110 0.000 0.299 592 T C -1.729 172.864 174.700 -0.178 0.000 1.041 592 T CA 0.684 62.721 62.100 -0.106 0.000 1.138 592 T CB 0.324 69.192 68.868 0.000 0.000 1.040 592 T HN 0.504 nan 8.240 nan 0.000 0.524 593 P HA 0.013 nan 4.420 nan 0.000 0.262 593 P C 0.853 178.073 177.300 -0.135 0.000 1.182 593 P CA 0.029 63.000 63.100 -0.216 0.000 0.761 593 P CB 0.191 31.709 31.700 -0.303 0.000 0.795 594 N N 2.893 121.550 118.700 -0.071 0.000 2.571 594 N HA -0.062 4.612 4.740 -0.110 0.000 0.189 594 N C 0.652 176.075 175.510 -0.146 0.000 1.154 594 N CA 0.234 53.226 53.050 -0.097 0.000 0.907 594 N CB -0.149 38.297 38.487 -0.067 0.000 0.977 594 N HN 0.280 nan 8.380 nan 0.000 0.449 595 M N -0.012 119.536 119.600 -0.087 0.000 2.337 595 M HA 0.254 4.668 4.480 -0.110 0.000 0.256 595 M C 2.051 178.373 176.300 0.037 0.000 1.075 595 M CA -0.083 55.191 55.300 -0.045 0.000 1.024 595 M CB -0.166 32.454 32.600 0.032 0.000 1.429 595 M HN 0.246 nan 8.290 nan 0.000 0.497 596 A N 1.862 124.656 122.820 -0.045 0.000 1.927 596 A HA -0.209 4.045 4.320 -0.110 0.000 0.220 596 A C 1.642 179.235 177.584 0.015 0.000 1.185 596 A CA 2.431 54.378 52.037 -0.150 0.000 0.639 596 A CB -0.722 18.246 19.000 -0.053 0.000 0.820 596 A HN 0.605 nan 8.150 nan 0.000 0.451 597 D N -1.259 119.161 120.400 0.034 0.000 2.349 597 D HA -0.035 4.539 4.640 -0.110 0.000 0.214 597 D C 1.227 177.547 176.300 0.034 0.000 1.063 597 D CA 0.653 54.687 54.000 0.057 0.000 0.847 597 D CB -0.254 40.521 40.800 -0.041 0.000 0.933 597 D HN 0.732 nan 8.370 nan 0.000 0.513 598 R N -0.100 120.383 120.500 -0.028 0.000 2.538 598 R HA 0.136 4.410 4.340 -0.110 0.000 0.372 598 R C 1.505 177.697 176.300 -0.181 0.000 0.950 598 R CA -0.564 55.391 56.100 -0.242 0.000 1.168 598 R CB -1.146 28.825 30.300 -0.548 0.000 1.542 598 R HN 0.115 nan 8.270 nan 0.000 0.536 599 W N 2.752 124.060 121.300 0.013 0.000 2.364 599 W HA -0.170 4.424 4.660 -0.109 0.000 0.281 599 W C 0.942 177.552 176.519 0.151 0.000 1.219 599 W CA 1.554 58.980 57.345 0.136 0.000 1.220 599 W CB -0.908 28.713 29.460 0.269 0.000 1.127 599 W HN 0.282 nan 8.180 nan 0.000 0.556 600 H N 0.323 118.785 119.070 -1.012 0.000 2.544 600 H HA 0.239 4.729 4.556 -0.110 0.000 0.269 600 H C -0.280 174.796 175.328 -0.420 0.000 0.970 600 H CA 0.361 55.715 56.048 -1.156 0.000 1.219 600 H CB -0.634 28.177 29.762 -1.585 0.000 1.421 600 H HN 0.162 nan 8.280 nan 0.000 0.555 601 E N 1.746 121.570 120.200 -0.627 0.000 2.338 601 E HA -0.003 4.281 4.350 -0.110 0.000 0.272 601 E C 0.000 176.605 176.600 0.007 0.000 1.029 601 E CA -0.396 55.866 56.400 -0.230 0.000 0.872 601 E CB 1.170 30.797 29.700 -0.123 0.000 1.015 601 E HN 0.191 nan 8.360 nan 0.000 0.417 602 D N 2.009 122.440 120.400 0.051 0.000 2.117 602 D HA -0.146 4.428 4.640 -0.110 0.000 0.198 602 D C 1.769 178.188 176.300 0.198 0.000 0.982 602 D CA 0.923 55.022 54.000 0.165 0.000 0.828 602 D CB 0.001 40.920 40.800 0.199 0.000 0.967 602 D HN 0.397 nan 8.370 nan 0.000 0.464 603 R N -0.180 120.330 120.500 0.017 0.000 2.103 603 R HA -0.176 4.098 4.340 -0.110 0.000 0.242 603 R C 1.929 178.103 176.300 -0.210 0.000 1.142 603 R CA 1.428 57.415 56.100 -0.189 0.000 0.960 603 R CB -0.424 29.554 30.300 -0.536 0.000 0.858 603 R HN 0.281 nan 8.270 nan 0.000 0.439 604 W N -0.851 120.475 121.300 0.044 0.000 2.770 604 W HA 0.012 4.606 4.660 -0.110 0.000 0.256 604 W C 1.848 178.484 176.519 0.195 0.000 1.291 604 W CA -0.403 56.972 57.345 0.050 0.000 1.396 604 W CB -0.257 29.152 29.460 -0.084 0.000 1.114 604 W HN 0.069 nan 8.180 nan 0.000 0.637 605 F N 0.923 121.032 119.950 0.266 0.000 2.186 605 F HA -0.007 4.454 4.527 -0.110 0.000 0.299 605 F C 2.214 178.298 175.800 0.473 0.000 1.090 605 F CA 2.131 60.308 58.000 0.295 0.000 1.307 605 F CB -0.622 38.511 39.000 0.222 0.000 1.019 605 F HN -0.147 nan 8.300 nan 0.000 0.489 606 G N -1.475 107.681 108.800 0.593 0.000 2.403 606 G HA2 -0.317 3.578 3.960 -0.110 0.000 0.216 606 G HA3 -0.317 3.578 3.960 -0.110 0.000 0.216 606 G C 1.537 176.627 174.900 0.317 0.000 1.154 606 G CA 0.656 46.096 45.100 0.566 0.000 0.784 606 G HN 0.510 nan 8.290 nan 0.000 0.538 607 Y N 1.337 121.701 120.300 0.107 0.000 2.193 607 Y HA -0.227 4.257 4.550 -0.110 0.000 0.285 607 Y C 2.748 178.686 175.900 0.062 0.000 1.166 607 Y CA 2.274 60.403 58.100 0.048 0.000 1.181 607 Y CB 0.066 38.587 38.460 0.102 0.000 0.976 607 Y HN 0.302 nan 8.280 nan 0.000 0.520 608 Q N -1.344 118.543 119.800 0.145 0.000 2.451 608 Q HA -0.031 4.243 4.340 -0.110 0.000 0.206 608 Q C 1.350 177.183 176.000 -0.277 0.000 0.947 608 Q CA 0.388 56.166 55.803 -0.041 0.000 0.937 608 Q CB -0.096 28.589 28.738 -0.089 0.000 1.025 608 Q HN 0.505 nan 8.270 nan 0.000 0.511 609 F N -0.285 119.509 119.950 -0.260 0.000 2.661 609 F HA -0.032 4.429 4.527 -0.109 0.000 0.298 609 F C 1.517 177.072 175.800 -0.408 0.000 1.137 609 F CA 0.824 58.615 58.000 -0.348 0.000 1.454 609 F CB 0.283 38.950 39.000 -0.555 0.000 1.103 609 F HN 0.048 nan 8.300 nan 0.000 0.577 610 L N -1.313 119.732 121.223 -0.297 0.000 2.445 610 L HA 0.121 4.395 4.340 -0.110 0.000 0.207 610 L C 1.106 177.925 176.870 -0.086 0.000 1.053 610 L CA 0.502 55.088 54.840 -0.423 0.000 0.841 610 L CB -0.060 41.620 42.059 -0.630 0.000 1.074 610 L HN -0.059 nan 8.230 nan 0.000 0.479 611 N N -0.216 118.383 118.700 -0.169 0.000 2.194 611 N HA 0.178 4.853 4.740 -0.110 0.000 0.231 611 N C 0.415 176.122 175.510 0.329 0.000 1.247 611 N CA 0.231 53.286 53.050 0.008 0.000 0.884 611 N CB 1.632 39.945 38.487 -0.290 0.000 1.146 611 N HN 0.177 nan 8.380 nan 0.000 0.516 612 G N -0.085 108.804 108.800 0.149 0.000 2.736 612 G HA2 0.523 4.417 3.960 -0.110 0.000 0.229 612 G HA3 0.523 4.417 3.960 -0.110 0.000 0.229 612 G C 0.743 175.596 174.900 -0.078 0.000 1.380 612 G CA 0.181 45.368 45.100 0.145 0.000 1.040 612 G HN 0.065 nan 8.290 nan 0.000 0.568 613 A N -1.162 121.397 122.820 -0.434 0.000 2.119 613 A HA 0.140 4.394 4.320 -0.110 0.000 0.216 613 A C 1.332 178.564 177.584 -0.587 0.000 1.152 613 A CA 0.784 52.373 52.037 -0.746 0.000 0.708 613 A CB -0.226 17.885 19.000 -1.481 0.000 0.805 613 A HN 0.512 nan 8.150 nan 0.000 0.460 614 N N 0.162 118.590 118.700 -0.454 0.000 2.757 614 N HA 0.167 4.841 4.740 -0.110 0.000 0.296 614 N C -2.723 172.718 175.510 -0.115 0.000 1.874 614 N CA -1.060 51.893 53.050 -0.163 0.000 0.885 614 N CB 1.034 39.494 38.487 -0.044 0.000 1.242 614 N HN 0.088 nan 8.380 nan 0.000 0.488 615 P HA 0.090 nan 4.420 nan 0.000 0.244 615 P C 0.875 178.143 177.300 -0.053 0.000 1.632 615 P CA 0.171 63.166 63.100 -0.175 0.000 0.944 615 P CB -0.072 31.439 31.700 -0.315 0.000 1.569 616 V N -4.546 115.380 119.914 0.020 0.000 3.432 616 V HA 0.301 4.355 4.120 -0.110 0.000 0.298 616 V C 1.495 177.660 176.094 0.118 0.000 1.464 616 V CA 0.121 62.493 62.300 0.119 0.000 1.046 616 V CB -0.323 31.593 31.823 0.154 0.000 0.887 616 V HN 0.043 nan 8.190 nan 0.000 0.441 617 I N -0.149 120.449 120.570 0.046 0.000 3.339 617 I HA 0.359 4.463 4.170 -0.110 0.000 0.285 617 I C 0.958 177.024 176.117 -0.085 0.000 1.201 617 I CA -0.102 61.157 61.300 -0.068 0.000 1.434 617 I CB 0.882 38.677 38.000 -0.343 0.000 1.152 617 I HN 0.338 nan 8.210 nan 0.000 0.443 618 L N 1.995 123.173 121.223 -0.074 0.000 2.540 618 L HA 0.080 4.355 4.340 -0.110 0.000 0.276 618 L C -0.349 176.519 176.870 -0.004 0.000 1.212 618 L CA 1.302 56.077 54.840 -0.109 0.000 0.893 618 L CB 0.390 42.296 42.059 -0.254 0.000 1.138 618 L HN 0.079 nan 8.230 nan 0.000 0.491 619 T N 5.432 120.019 114.554 0.056 0.000 2.893 619 T HA 0.378 4.662 4.350 -0.110 0.000 0.291 619 T C -0.267 174.529 174.700 0.160 0.000 1.028 619 T CA -0.737 61.427 62.100 0.107 0.000 0.995 619 T CB 1.443 70.336 68.868 0.041 0.000 1.051 619 T HN 0.538 nan 8.240 nan 0.000 0.470 620 R N 0.904 121.469 120.500 0.108 0.000 2.538 620 R HA 0.097 4.371 4.340 -0.110 0.000 0.282 620 R C -0.188 175.990 176.300 -0.205 0.000 1.009 620 R CA -0.055 55.886 56.100 -0.266 0.000 1.063 620 R CB 0.011 30.193 30.300 -0.196 0.000 0.945 620 R HN 0.621 nan 8.270 nan 0.000 0.414 621 C N 5.267 124.392 119.300 -0.290 0.000 2.349 621 C HA 0.128 4.523 4.460 -0.110 0.000 0.348 621 C C 0.936 175.853 174.990 -0.121 0.000 1.223 621 C CA -0.660 58.286 59.018 -0.120 0.000 1.746 621 C CB -0.378 27.332 27.740 -0.050 0.000 2.360 621 C HN 0.786 nan 8.230 nan 0.000 0.533 622 D N 2.586 122.943 120.400 -0.071 0.000 2.324 622 D HA 0.258 4.832 4.640 -0.110 0.000 0.212 622 D C 0.445 176.723 176.300 -0.038 0.000 0.984 622 D CA 0.912 54.877 54.000 -0.058 0.000 0.885 622 D CB 0.534 41.308 40.800 -0.043 0.000 0.996 622 D HN 0.732 nan 8.370 nan 0.000 0.505 623 A N 0.455 123.263 122.820 -0.020 0.000 2.532 623 A HA 0.353 4.607 4.320 -0.110 0.000 0.296 623 A C -1.001 176.588 177.584 0.008 0.000 1.058 623 A CA -0.654 51.375 52.037 -0.013 0.000 0.729 623 A CB 0.977 19.970 19.000 -0.012 0.000 1.285 623 A HN -0.055 nan 8.150 nan 0.000 0.396 624 L N 2.626 123.849 121.223 -0.000 0.000 2.678 624 L HA 0.073 4.347 4.340 -0.110 0.000 0.285 624 L C -1.816 175.088 176.870 0.056 0.000 1.233 624 L CA -0.049 54.803 54.840 0.020 0.000 0.920 624 L CB -0.854 41.167 42.059 -0.063 0.000 1.176 624 L HN 0.459 nan 8.230 nan 0.000 0.495 625 P HA -0.010 nan 4.420 nan 0.000 0.265 625 P C 0.967 178.326 177.300 0.100 0.000 1.187 625 P CA 0.077 63.244 63.100 0.112 0.000 0.766 625 P CB 0.518 32.310 31.700 0.154 0.000 0.820 626 S N 2.472 118.212 115.700 0.066 0.000 2.402 626 S HA -0.272 4.132 4.470 -0.110 0.000 0.233 626 S C 1.228 175.869 174.600 0.069 0.000 1.030 626 S CA 1.822 60.052 58.200 0.050 0.000 1.003 626 S CB -1.318 61.903 63.200 0.036 0.000 0.813 626 S HN 0.706 nan 8.310 nan 0.000 0.477 627 N N -0.677 118.083 118.700 0.100 0.000 2.398 627 N HA 0.106 4.780 4.740 -0.110 0.000 0.188 627 N C -0.046 175.587 175.510 0.206 0.000 1.122 627 N CA -0.226 52.893 53.050 0.115 0.000 0.866 627 N CB -0.068 38.472 38.487 0.088 0.000 0.970 627 N HN 0.399 nan 8.380 nan 0.000 0.462 628 F N 2.110 122.065 119.950 0.010 0.000 2.453 628 F HA 0.494 4.955 4.527 -0.109 0.000 0.358 628 F C -2.659 173.137 175.800 -0.008 0.000 1.129 628 F CA -3.629 54.373 58.000 0.003 0.000 1.200 628 F CB 1.280 40.290 39.000 0.016 0.000 1.431 628 F HN -0.023 nan 8.300 nan 0.000 0.503 629 P HA 0.073 nan 4.420 nan 0.000 0.225 629 P C -0.429 176.764 177.300 -0.179 0.000 1.768 629 P CA 0.248 63.292 63.100 -0.093 0.000 0.943 629 P CB -0.149 31.550 31.700 -0.001 0.000 1.936 630 V N 0.726 120.385 119.914 -0.424 0.000 2.572 630 V HA 0.247 4.301 4.120 -0.110 0.000 0.291 630 V C 1.247 177.314 176.094 -0.045 0.000 1.039 630 V CA -0.073 62.012 62.300 -0.357 0.000 1.055 630 V CB 0.252 31.693 31.823 -0.637 0.000 0.969 630 V HN 0.390 nan 8.190 nan 0.000 0.482 631 T N 0.397 115.108 114.554 0.261 0.000 2.952 631 T HA 0.315 4.599 4.350 -0.110 0.000 0.286 631 T C 0.794 175.482 174.700 -0.019 0.000 1.024 631 T CA -0.517 61.606 62.100 0.038 0.000 1.029 631 T CB 1.440 70.243 68.868 -0.107 0.000 1.094 631 T HN 0.476 nan 8.240 nan 0.000 0.515 632 N N 0.578 119.236 118.700 -0.071 0.000 2.381 632 N HA -0.057 4.617 4.740 -0.110 0.000 0.182 632 N C 2.060 177.509 175.510 -0.102 0.000 1.025 632 N CA 1.824 54.824 53.050 -0.083 0.000 0.888 632 N CB -0.404 38.032 38.487 -0.084 0.000 0.965 632 N HN 0.848 nan 8.380 nan 0.000 0.438 633 E N 0.257 120.370 120.200 -0.144 0.000 2.028 633 E HA -0.195 4.089 4.350 -0.110 0.000 0.191 633 E C 1.802 178.303 176.600 -0.166 0.000 0.988 633 E CA 1.516 57.805 56.400 -0.186 0.000 0.799 633 E CB -1.302 28.245 29.700 -0.254 0.000 0.755 633 E HN 0.567 nan 8.360 nan 0.000 0.447 634 H N -0.655 118.350 119.070 -0.109 0.000 2.330 634 H HA -0.098 4.392 4.556 -0.110 0.000 0.290 634 H C 2.043 177.312 175.328 -0.098 0.000 1.111 634 H CA 2.080 58.065 56.048 -0.106 0.000 1.226 634 H CB -0.336 29.354 29.762 -0.121 0.000 1.355 634 H HN 0.309 nan 8.280 nan 0.000 0.485 635 V N 0.429 120.353 119.914 0.017 0.000 3.605 635 V HA -0.010 4.044 4.120 -0.110 0.000 0.284 635 V C 1.783 177.825 176.094 -0.087 0.000 1.386 635 V CA 0.307 62.588 62.300 -0.031 0.000 1.053 635 V CB 0.194 31.982 31.823 -0.058 0.000 0.857 635 V HN 0.301 nan 8.190 nan 0.000 0.436 636 N N 1.869 120.500 118.700 -0.115 0.000 2.166 636 N HA -0.121 4.553 4.740 -0.110 0.000 0.186 636 N C 1.765 177.180 175.510 -0.159 0.000 1.019 636 N CA 1.622 54.587 53.050 -0.141 0.000 0.856 636 N CB -0.076 38.333 38.487 -0.129 0.000 0.993 636 N HN 0.424 nan 8.380 nan 0.000 0.426 637 A N -0.908 121.781 122.820 -0.220 0.000 2.121 637 A HA -0.000 4.254 4.320 -0.110 0.000 0.218 637 A C 2.142 179.668 177.584 -0.096 0.000 1.154 637 A CA 1.330 53.200 52.037 -0.279 0.000 0.679 637 A CB -0.420 18.175 19.000 -0.674 0.000 0.795 637 A HN 0.322 nan 8.150 nan 0.000 0.458 638 S N -0.475 115.230 115.700 0.009 0.000 2.470 638 S HA 0.189 4.593 4.470 -0.110 0.000 0.225 638 S C 0.665 175.230 174.600 -0.057 0.000 1.006 638 S CA 0.051 58.294 58.200 0.072 0.000 0.934 638 S CB -0.279 62.958 63.200 0.062 0.000 0.778 638 S HN 0.503 nan 8.310 nan 0.000 0.517 639 L N 2.393 123.484 121.223 -0.221 0.000 2.399 639 L HA 0.379 4.653 4.340 -0.110 0.000 0.266 639 L C 0.554 177.386 176.870 -0.062 0.000 1.114 639 L CA -0.342 54.270 54.840 -0.381 0.000 0.804 639 L CB 0.397 42.194 42.059 -0.437 0.000 1.146 639 L HN 0.148 nan 8.230 nan 0.000 0.451 640 D N -0.389 120.062 120.400 0.085 0.000 2.704 640 D HA 0.060 4.634 4.640 -0.110 0.000 0.291 640 D C 0.870 177.233 176.300 0.105 0.000 1.610 640 D CA -0.281 53.787 54.000 0.114 0.000 0.807 640 D CB 0.285 41.171 40.800 0.143 0.000 1.233 640 D HN 0.455 nan 8.370 nan 0.000 0.445 641 R N -0.399 120.168 120.500 0.113 0.000 2.225 641 R HA 0.469 4.743 4.340 -0.110 0.000 0.194 641 R C 1.437 177.769 176.300 0.053 0.000 0.949 641 R CA 0.908 57.062 56.100 0.089 0.000 1.088 641 R CB 0.948 31.331 30.300 0.138 0.000 1.106 641 R HN 0.201 nan 8.270 nan 0.000 0.566 642 G N -0.717 108.105 108.800 0.036 0.000 2.738 642 G HA2 -0.142 3.752 3.960 -0.110 0.000 0.195 642 G HA3 -0.142 3.752 3.960 -0.110 0.000 0.195 642 G C 0.111 175.014 174.900 0.006 0.000 1.001 642 G CA 0.009 45.118 45.100 0.014 0.000 0.759 642 G HN 0.436 nan 8.290 nan 0.000 0.494 643 K N 0.514 120.925 120.400 0.019 0.000 2.179 643 K HA 0.793 5.047 4.320 -0.110 0.000 0.238 643 K C 0.452 177.033 176.600 -0.032 0.000 1.033 643 K CA 0.160 56.450 56.287 0.006 0.000 0.926 643 K CB 0.305 32.828 32.500 0.039 0.000 1.151 643 K HN 0.922 nan 8.250 nan 0.000 0.492 644 N N -2.012 116.663 118.700 -0.041 0.000 2.741 644 N HA 0.502 5.176 4.740 -0.110 0.000 0.310 644 N C 1.530 176.996 175.510 -0.073 0.000 1.295 644 N CA 0.177 53.185 53.050 -0.071 0.000 0.893 644 N CB 0.165 38.613 38.487 -0.065 0.000 1.247 644 N HN 0.670 nan 8.380 nan 0.000 0.596 645 L N -0.469 120.700 121.223 -0.090 0.000 1.990 645 L HA -0.164 4.110 4.340 -0.110 0.000 0.213 645 L C 2.641 179.481 176.870 -0.051 0.000 1.072 645 L CA 3.566 58.358 54.840 -0.081 0.000 0.755 645 L CB -2.479 39.528 42.059 -0.086 0.000 0.889 645 L HN 0.862 nan 8.230 nan 0.000 0.432 646 D N -1.121 119.249 120.400 -0.050 0.000 2.158 646 D HA -0.252 4.322 4.640 -0.110 0.000 0.197 646 D C 1.982 178.264 176.300 -0.031 0.000 0.995 646 D CA 1.533 55.508 54.000 -0.041 0.000 0.846 646 D CB -0.433 40.342 40.800 -0.040 0.000 0.941 646 D HN 0.849 nan 8.370 nan 0.000 0.456 647 E N -0.788 119.398 120.200 -0.024 0.000 2.102 647 E HA -0.062 4.222 4.350 -0.110 0.000 0.190 647 E C 2.298 178.900 176.600 0.004 0.000 0.971 647 E CA 0.399 56.792 56.400 -0.012 0.000 0.821 647 E CB 0.151 29.849 29.700 -0.004 0.000 0.777 647 E HN 0.341 nan 8.360 nan 0.000 0.460 648 E N 1.021 121.240 120.200 0.031 0.000 2.085 648 E HA -0.190 4.094 4.350 -0.110 0.000 0.194 648 E C 2.114 178.736 176.600 0.037 0.000 0.994 648 E CA 0.812 57.275 56.400 0.105 0.000 0.801 648 E CB -0.269 29.528 29.700 0.160 0.000 0.743 648 E HN 0.319 nan 8.360 nan 0.000 0.453 649 I N 1.273 121.841 120.570 -0.003 0.000 2.185 649 I HA -0.347 3.757 4.170 -0.110 0.000 0.246 649 I C 2.718 178.792 176.117 -0.071 0.000 1.088 649 I CA 2.444 63.715 61.300 -0.048 0.000 1.347 649 I CB -0.456 37.517 38.000 -0.045 0.000 1.041 649 I HN 0.116 nan 8.210 nan 0.000 0.415 650 K N -0.588 119.779 120.400 -0.056 0.000 2.296 650 K HA -0.121 4.134 4.320 -0.110 0.000 0.200 650 K C 1.654 178.202 176.600 -0.087 0.000 1.048 650 K CA 1.499 57.749 56.287 -0.061 0.000 0.966 650 K CB -0.713 31.762 32.500 -0.042 0.000 0.754 650 K HN 0.362 nan 8.250 nan 0.000 0.466 651 D N -0.382 119.950 120.400 -0.114 0.000 2.355 651 D HA 0.042 4.616 4.640 -0.110 0.000 0.218 651 D C 0.733 176.802 176.300 -0.386 0.000 1.004 651 D CA 1.157 55.016 54.000 -0.235 0.000 0.880 651 D CB 0.136 40.788 40.800 -0.247 0.000 0.911 651 D HN 0.557 nan 8.370 nan 0.000 0.528 652 G N 1.309 109.963 108.800 -0.244 0.000 2.256 652 G HA2 -0.288 3.606 3.960 -0.110 0.000 0.272 652 G HA3 -0.288 3.606 3.960 -0.110 0.000 0.272 652 G C 0.314 175.180 174.900 -0.055 0.000 1.076 652 G CA 0.259 45.243 45.100 -0.193 0.000 0.882 652 G HN 0.542 nan 8.290 nan 0.000 0.497 653 H N -1.265 117.853 119.070 0.079 0.000 2.893 653 H HA 0.360 4.850 4.556 -0.110 0.000 0.270 653 H C 0.660 176.173 175.328 0.308 0.000 1.095 653 H CA -0.572 55.622 56.048 0.244 0.000 1.186 653 H CB 0.883 30.792 29.762 0.244 0.000 1.562 653 H HN 0.333 nan 8.280 nan 0.000 0.536 654 I N 1.513 122.152 120.570 0.115 0.000 2.447 654 I HA 0.202 4.306 4.170 -0.110 0.000 0.287 654 I C -0.996 174.984 176.117 -0.228 0.000 1.023 654 I CA -0.562 60.811 61.300 0.122 0.000 1.083 654 I CB 1.151 39.199 38.000 0.080 0.000 1.245 654 I HN 0.084 nan 8.210 nan 0.000 0.434 655 Y N 5.772 126.183 120.300 0.186 0.000 2.598 655 Y HA 0.674 5.158 4.550 -0.110 0.000 0.340 655 Y C -0.019 176.012 175.900 0.219 0.000 1.038 655 Y CA -0.821 57.356 58.100 0.127 0.000 1.100 655 Y CB 2.769 41.240 38.460 0.018 0.000 1.281 655 Y HN 0.396 nan 8.280 nan 0.000 0.488 656 I N 1.953 122.679 120.570 0.259 0.000 2.827 656 I HA 0.662 4.766 4.170 -0.110 0.000 0.298 656 I C -1.721 174.459 176.117 0.105 0.000 1.235 656 I CA -1.140 60.306 61.300 0.244 0.000 1.021 656 I CB 1.927 40.038 38.000 0.184 0.000 1.259 656 I HN 0.476 nan 8.210 nan 0.000 0.427 657 V N 2.350 122.314 119.914 0.083 0.000 2.604 657 V HA 0.717 4.771 4.120 -0.110 0.000 0.305 657 V C -1.324 174.663 176.094 -0.178 0.000 1.043 657 V CA -0.336 61.891 62.300 -0.122 0.000 0.888 657 V CB 1.662 33.416 31.823 -0.116 0.000 0.995 657 V HN 0.751 nan 8.190 nan 0.000 0.429 658 D N 3.207 123.408 120.400 -0.331 0.000 2.542 658 D HA 0.436 5.010 4.640 -0.110 0.000 0.252 658 D C -0.579 175.536 176.300 -0.308 0.000 1.222 658 D CA -0.572 53.301 54.000 -0.211 0.000 0.895 658 D CB 1.385 42.127 40.800 -0.096 0.000 1.207 658 D HN 0.469 nan 8.370 nan 0.000 0.558 659 F N 2.557 122.488 119.950 -0.031 0.000 2.777 659 F HA 0.213 4.673 4.527 -0.110 0.000 0.291 659 F C 2.406 178.262 175.800 0.094 0.000 1.187 659 F CA -0.004 58.002 58.000 0.009 0.000 1.406 659 F CB -0.189 38.817 39.000 0.010 0.000 0.982 659 F HN 0.489 nan 8.300 nan 0.000 0.509 660 K N -0.014 120.487 120.400 0.168 0.000 2.144 660 K HA -0.204 4.050 4.320 -0.110 0.000 0.209 660 K C 2.153 178.878 176.600 0.208 0.000 1.047 660 K CA 1.952 58.328 56.287 0.150 0.000 0.927 660 K CB -1.410 31.144 32.500 0.091 0.000 0.716 660 K HN 0.330 nan 8.250 nan 0.000 0.454 661 V N 0.536 120.621 119.914 0.285 0.000 2.867 661 V HA -0.078 3.976 4.120 -0.110 0.000 0.260 661 V C 2.132 178.507 176.094 0.469 0.000 1.099 661 V CA 1.485 63.990 62.300 0.342 0.000 1.122 661 V CB -0.293 31.759 31.823 0.382 0.000 0.708 661 V HN 0.596 nan 8.190 nan 0.000 0.490 662 L N -0.357 121.128 121.223 0.437 0.000 2.478 662 L HA 0.068 4.342 4.340 -0.110 0.000 0.223 662 L C 0.888 177.868 176.870 0.183 0.000 1.140 662 L CA -0.049 54.973 54.840 0.304 0.000 0.842 662 L CB -0.013 42.169 42.059 0.204 0.000 0.953 662 L HN 0.110 nan 8.230 nan 0.000 0.452 663 V N 1.030 121.042 119.914 0.163 0.000 2.644 663 V HA 0.060 4.114 4.120 -0.110 0.000 0.305 663 V C 1.400 177.548 176.094 0.090 0.000 1.053 663 V CA 1.296 63.649 62.300 0.087 0.000 1.186 663 V CB 0.242 32.106 31.823 0.069 0.000 0.895 663 V HN 0.647 nan 8.190 nan 0.000 0.490 664 G N 3.587 112.412 108.800 0.042 0.000 2.176 664 G HA2 -0.116 3.778 3.960 -0.110 0.000 0.253 664 G HA3 -0.116 3.778 3.960 -0.110 0.000 0.253 664 G C 0.430 175.377 174.900 0.079 0.000 0.979 664 G CA 0.130 45.260 45.100 0.050 0.000 0.641 664 G HN 1.677 nan 8.290 nan 0.000 0.530 665 A N 0.186 123.057 122.820 0.086 0.000 2.548 665 A HA 0.508 4.762 4.320 -0.110 0.000 0.247 665 A C 0.664 178.299 177.584 0.085 0.000 1.067 665 A CA 1.202 53.289 52.037 0.083 0.000 0.757 665 A CB 0.313 19.319 19.000 0.010 0.000 0.996 665 A HN 1.079 nan 8.150 nan 0.000 0.504 666 K N 3.242 123.694 120.400 0.086 0.000 2.263 666 K HA 0.426 4.680 4.320 -0.110 0.000 0.282 666 K C 0.006 176.650 176.600 0.073 0.000 1.089 666 K CA -0.115 56.217 56.287 0.076 0.000 0.907 666 K CB 0.144 32.677 32.500 0.054 0.000 1.148 666 K HN 0.889 nan 8.250 nan 0.000 0.470 667 S N 2.849 118.591 115.700 0.070 0.000 2.632 667 S HA 0.288 4.692 4.470 -0.110 0.000 0.271 667 S C -0.111 174.506 174.600 0.029 0.000 1.260 667 S CA -0.711 57.519 58.200 0.050 0.000 1.010 667 S CB 0.287 63.494 63.200 0.013 0.000 0.965 667 S HN 0.686 nan 8.310 nan 0.000 0.534 668 Y N 1.321 121.584 120.300 -0.061 0.000 2.811 668 Y HA 0.277 4.761 4.550 -0.110 0.000 0.334 668 Y C 1.459 177.297 175.900 -0.104 0.000 1.247 668 Y CA 1.968 60.030 58.100 -0.063 0.000 1.526 668 Y CB -0.249 38.171 38.460 -0.067 0.000 1.284 668 Y HN 0.983 nan 8.280 nan 0.000 0.586 669 G N 2.270 110.799 108.800 -0.452 0.000 2.399 669 G HA2 -0.155 3.739 3.960 -0.110 0.000 0.216 669 G HA3 -0.155 3.739 3.960 -0.110 0.000 0.216 669 G C 0.830 175.617 174.900 -0.188 0.000 1.096 669 G CA 0.330 45.267 45.100 -0.272 0.000 0.650 669 G HN 1.922 nan 8.290 nan 0.000 0.512 670 G N -0.682 108.029 108.800 -0.147 0.000 3.617 670 G HA2 0.196 4.090 3.960 -0.110 0.000 0.217 670 G HA3 0.196 4.090 3.960 -0.110 0.000 0.217 670 G C -2.256 172.626 174.900 -0.030 0.000 0.967 670 G CA 0.630 45.683 45.100 -0.079 0.000 0.878 670 G HN 0.870 nan 8.290 nan 0.000 0.439 671 P HA 0.452 nan 4.420 nan 0.000 0.262 671 P C -0.145 177.282 177.300 0.212 0.000 1.199 671 P CA 0.272 63.416 63.100 0.074 0.000 0.763 671 P CB 1.458 33.006 31.700 -0.253 0.000 0.790 672 V N 5.111 125.161 119.914 0.227 0.000 2.472 672 V HA 0.239 4.293 4.120 -0.110 0.000 0.290 672 V C 0.281 176.381 176.094 0.010 0.000 1.037 672 V CA -0.760 61.615 62.300 0.124 0.000 0.908 672 V CB 1.600 33.462 31.823 0.065 0.000 0.985 672 V HN 0.361 nan 8.190 nan 0.000 0.454 673 L N 4.591 125.752 121.223 -0.104 0.000 2.292 673 L HA 0.709 4.983 4.340 -0.110 0.000 0.284 673 L C 0.323 177.061 176.870 -0.220 0.000 1.065 673 L CA 0.733 55.345 54.840 -0.380 0.000 0.806 673 L CB 0.927 42.861 42.059 -0.208 0.000 1.175 673 L HN 0.923 nan 8.230 nan 0.000 0.431 674 E N 2.091 122.131 120.200 -0.267 0.000 2.303 674 E HA 0.348 4.632 4.350 -0.110 0.000 0.254 674 E C 0.351 176.897 176.600 -0.090 0.000 0.979 674 E CA 0.246 56.572 56.400 -0.123 0.000 0.843 674 E CB 0.126 29.772 29.700 -0.090 0.000 1.245 674 E HN 0.755 nan 8.360 nan 0.000 0.413 675 D N -0.912 119.464 120.400 -0.041 0.000 2.144 675 D HA -0.054 4.520 4.640 -0.110 0.000 0.199 675 D C 1.710 177.995 176.300 -0.026 0.000 0.984 675 D CA 2.286 56.275 54.000 -0.018 0.000 0.834 675 D CB -0.158 40.643 40.800 0.001 0.000 0.955 675 D HN 0.652 nan 8.370 nan 0.000 0.465 676 I N -0.680 119.870 120.570 -0.034 0.000 3.728 676 I HA 0.561 4.665 4.170 -0.110 0.000 0.307 676 I C 1.576 177.668 176.117 -0.040 0.000 1.276 676 I CA 0.894 62.181 61.300 -0.022 0.000 1.285 676 I CB -0.865 37.133 38.000 -0.005 0.000 1.038 676 I HN 0.246 nan 8.210 nan 0.000 0.445 677 G N -0.778 107.958 108.800 -0.107 0.000 2.785 677 G HA2 -0.019 3.875 3.960 -0.110 0.000 0.218 677 G HA3 -0.019 3.875 3.960 -0.110 0.000 0.218 677 G C -0.361 174.365 174.900 -0.290 0.000 1.251 677 G CA -0.003 44.999 45.100 -0.162 0.000 1.129 677 G HN 0.812 nan 8.290 nan 0.000 0.573 678 Y N 1.339 121.667 120.300 0.046 0.000 2.570 678 Y HA 0.715 5.198 4.550 -0.110 0.000 0.345 678 Y C 0.788 176.734 175.900 0.076 0.000 1.014 678 Y CA 0.148 58.305 58.100 0.096 0.000 1.063 678 Y CB 1.750 40.321 38.460 0.185 0.000 1.272 678 Y HN 0.978 nan 8.280 nan 0.000 0.477 689 A N 1.172 124.008 122.820 0.027 0.000 2.340 689 A HA 0.519 4.774 4.320 -0.110 0.000 0.268 689 A C -0.269 177.339 177.584 0.041 0.000 1.100 689 A CA 0.450 52.507 52.037 0.033 0.000 0.803 689 A CB 0.602 19.622 19.000 0.034 0.000 1.043 689 A HN 0.350 nan 8.150 nan 0.000 0.488 690 D N 1.151 121.595 120.400 0.073 0.000 2.359 690 D HA 0.394 4.968 4.640 -0.110 0.000 0.250 690 D C -1.189 175.214 176.300 0.171 0.000 1.264 690 D CA 0.500 54.563 54.000 0.104 0.000 0.911 690 D CB -0.207 40.677 40.800 0.140 0.000 1.056 690 D HN 0.267 nan 8.370 nan 0.000 0.499 691 I N 3.778 124.390 120.570 0.070 0.000 2.512 691 I HA 0.332 4.436 4.170 -0.110 0.000 0.287 691 I C -0.167 175.884 176.117 -0.109 0.000 1.069 691 I CA -0.453 60.839 61.300 -0.014 0.000 1.056 691 I CB 1.379 39.363 38.000 -0.027 0.000 1.229 691 I HN 0.157 nan 8.210 nan 0.000 0.429 692 R N 4.961 125.320 120.500 -0.235 0.000 2.892 692 R HA 0.726 5.000 4.340 -0.110 0.000 0.265 692 R C -1.657 174.351 176.300 -0.487 0.000 1.025 692 R CA -0.936 55.049 56.100 -0.191 0.000 0.982 692 R CB 2.124 32.398 30.300 -0.043 0.000 1.185 692 R HN 0.363 nan 8.270 nan 0.000 0.484 693 Y N -0.852 119.450 120.300 0.004 0.000 2.553 693 Y HA 0.500 4.984 4.550 -0.109 0.000 0.347 693 Y C -0.145 175.898 175.900 0.239 0.000 1.019 693 Y CA -0.607 57.536 58.100 0.072 0.000 1.032 693 Y CB 2.101 40.603 38.460 0.071 0.000 1.284 693 Y HN 0.522 nan 8.280 nan 0.000 0.466 694 C N 0.898 120.550 119.300 0.587 0.000 3.256 694 C HA 1.004 5.398 4.460 -0.110 0.000 0.361 694 C C -0.660 174.684 174.990 0.590 0.000 1.665 694 C CA -0.015 59.289 59.018 0.478 0.000 1.445 694 C CB 1.217 29.092 27.740 0.224 0.000 2.144 694 C HN 1.015 nan 8.230 nan 0.000 0.448 695 A N -0.358 122.679 122.820 0.362 0.000 2.568 695 A HA 0.876 5.130 4.320 -0.110 0.000 0.291 695 A C -1.110 176.556 177.584 0.136 0.000 1.159 695 A CA 0.276 52.453 52.037 0.233 0.000 0.679 695 A CB 0.719 19.883 19.000 0.272 0.000 1.285 695 A HN 1.983 nan 8.150 nan 0.000 0.428 696 A N 0.904 123.788 122.820 0.108 0.000 3.308 696 A HA 0.654 4.908 4.320 -0.110 0.000 0.275 696 A C -2.806 174.869 177.584 0.153 0.000 0.950 696 A CA -1.114 51.014 52.037 0.151 0.000 0.987 696 A CB 0.006 19.077 19.000 0.119 0.000 1.146 696 A HN 0.463 nan 8.150 nan 0.000 0.488 697 P HA 0.516 nan 4.420 nan 0.000 0.274 697 P C -0.617 176.742 177.300 0.097 0.000 1.256 697 P CA -0.113 63.061 63.100 0.123 0.000 0.795 697 P CB 1.129 32.924 31.700 0.158 0.000 1.038 698 L N 0.164 121.280 121.223 -0.179 0.000 2.341 698 L HA 0.865 5.139 4.340 -0.110 0.000 0.267 698 L C 0.035 176.623 176.870 -0.469 0.000 1.009 698 L CA -0.600 53.975 54.840 -0.441 0.000 0.819 698 L CB 1.838 43.279 42.059 -1.029 0.000 1.323 698 L HN 0.495 nan 8.230 nan 0.000 0.425 699 A N 1.720 124.409 122.820 -0.218 0.000 2.605 699 A HA 0.855 5.109 4.320 -0.110 0.000 0.294 699 A C -2.157 175.514 177.584 0.145 0.000 1.062 699 A CA -0.371 51.682 52.037 0.027 0.000 0.682 699 A CB 1.575 20.640 19.000 0.109 0.000 1.278 699 A HN 0.524 nan 8.150 nan 0.000 0.410 700 L N 0.550 121.790 121.223 0.030 0.000 2.388 700 L HA 0.966 5.240 4.340 -0.110 0.000 0.264 700 L C -1.764 174.998 176.870 -0.180 0.000 0.998 700 L CA -0.347 54.578 54.840 0.142 0.000 0.817 700 L CB 1.833 44.060 42.059 0.281 0.000 1.338 700 L HN 0.663 nan 8.230 nan 0.000 0.414 701 F N 2.876 122.935 119.950 0.181 0.000 2.588 701 F HA 0.485 4.946 4.527 -0.110 0.000 0.310 701 F C -1.376 174.600 175.800 0.292 0.000 1.082 701 F CA -0.526 57.589 58.000 0.191 0.000 0.929 701 F CB 1.917 40.976 39.000 0.097 0.000 1.254 701 F HN 0.341 nan 8.300 nan 0.000 0.455 702 Y N 2.394 122.875 120.300 0.302 0.000 2.346 702 Y HA 0.657 5.141 4.550 -0.110 0.000 0.332 702 Y C -1.292 174.721 175.900 0.188 0.000 0.985 702 Y CA -1.618 56.614 58.100 0.221 0.000 1.112 702 Y CB 1.246 39.780 38.460 0.124 0.000 1.170 702 Y HN 0.343 nan 8.280 nan 0.000 0.447 703 V N 7.684 127.512 119.914 -0.144 0.000 2.421 703 V HA 0.073 4.127 4.120 -0.110 0.000 0.271 703 V C 0.275 175.716 176.094 -1.089 0.000 1.031 703 V CA -0.278 61.773 62.300 -0.415 0.000 1.032 703 V CB -0.746 30.981 31.823 -0.159 0.000 1.009 703 V HN 0.831 nan 8.190 nan 0.000 0.477 704 N N 5.197 123.383 118.700 -0.857 0.000 2.405 704 N HA 0.320 4.994 4.740 -0.110 0.000 0.269 704 N C 1.158 176.386 175.510 -0.470 0.000 1.249 704 N CA -0.037 52.545 53.050 -0.781 0.000 0.974 704 N CB 0.669 38.947 38.487 -0.347 0.000 1.204 704 N HN 0.340 nan 8.380 nan 0.000 0.565 705 K N -0.043 120.184 120.400 -0.288 0.000 2.209 705 K HA 0.036 4.290 4.320 -0.110 0.000 0.204 705 K C 1.927 178.387 176.600 -0.234 0.000 1.048 705 K CA 1.631 57.793 56.287 -0.209 0.000 0.940 705 K CB -1.148 31.288 32.500 -0.106 0.000 0.729 705 K HN 0.611 nan 8.250 nan 0.000 0.451 706 L N -1.292 119.724 121.223 -0.346 0.000 2.567 706 L HA 0.240 4.514 4.340 -0.110 0.000 0.225 706 L C 1.635 178.278 176.870 -0.379 0.000 1.119 706 L CA 0.566 55.156 54.840 -0.418 0.000 0.871 706 L CB 0.385 42.043 42.059 -0.669 0.000 1.036 706 L HN 0.594 nan 8.230 nan 0.000 0.459 707 G N -0.551 108.056 108.800 -0.322 0.000 2.134 707 G HA2 -0.235 3.659 3.960 -0.110 0.000 0.209 707 G HA3 -0.235 3.659 3.960 -0.110 0.000 0.209 707 G C 0.010 174.886 174.900 -0.041 0.000 0.993 707 G CA -0.438 44.565 45.100 -0.163 0.000 0.669 707 G HN 0.513 nan 8.290 nan 0.000 0.519 708 H N -0.767 118.204 119.070 -0.164 0.000 2.646 708 H HA 0.455 4.945 4.556 -0.110 0.000 0.325 708 H C 0.153 175.399 175.328 -0.137 0.000 1.075 708 H CA -0.849 55.110 56.048 -0.149 0.000 1.421 708 H CB 1.822 31.492 29.762 -0.153 0.000 1.461 708 H HN 0.173 nan 8.280 nan 0.000 0.525 709 L N 4.773 126.016 121.223 0.035 0.000 2.283 709 L HA 0.149 4.424 4.340 -0.110 0.000 0.287 709 L C -0.792 176.209 176.870 0.218 0.000 1.073 709 L CA -0.043 54.831 54.840 0.057 0.000 0.822 709 L CB 0.128 42.153 42.059 -0.057 0.000 1.186 709 L HN 0.578 nan 8.230 nan 0.000 0.436 710 M N 7.615 127.377 119.600 0.269 0.000 2.336 710 M HA 0.469 4.883 4.480 -0.110 0.000 0.342 710 M C -2.408 174.089 176.300 0.330 0.000 1.128 710 M CA -2.383 53.096 55.300 0.298 0.000 1.016 710 M CB 1.309 34.049 32.600 0.234 0.000 1.665 710 M HN 0.320 nan 8.290 nan 0.000 0.445 711 P HA 0.240 nan 4.420 nan 0.000 0.276 711 P C 0.240 177.567 177.300 0.044 0.000 1.235 711 P CA -0.065 63.008 63.100 -0.046 0.000 0.772 711 P CB 0.605 32.427 31.700 0.203 0.000 0.871 712 I N 0.003 120.530 120.570 -0.072 0.000 4.456 712 I HA 0.631 4.735 4.170 -0.110 0.000 0.329 712 I C 0.033 176.109 176.117 -0.068 0.000 1.313 712 I CA -0.382 60.881 61.300 -0.062 0.000 1.205 712 I CB 0.705 38.703 38.000 -0.004 0.000 1.179 712 I HN 0.228 nan 8.210 nan 0.000 0.419 713 A N 1.583 124.430 122.820 0.046 0.000 2.582 713 A HA 0.786 5.041 4.320 -0.110 0.000 0.297 713 A C -1.442 176.341 177.584 0.331 0.000 1.059 713 A CA -0.328 51.808 52.037 0.165 0.000 0.705 713 A CB 1.211 20.254 19.000 0.071 0.000 1.279 713 A HN 0.243 nan 8.150 nan 0.000 0.404 714 I N 1.326 122.161 120.570 0.441 0.000 2.569 714 I HA 0.441 4.545 4.170 -0.110 0.000 0.290 714 I C -0.419 175.965 176.117 0.445 0.000 1.088 714 I CA -0.324 61.200 61.300 0.373 0.000 1.047 714 I CB 2.358 40.545 38.000 0.312 0.000 1.237 714 I HN 0.809 nan 8.210 nan 0.000 0.421 715 Q N 5.564 125.516 119.800 0.254 0.000 2.331 715 Q HA 0.494 4.768 4.340 -0.110 0.000 0.267 715 Q C -0.033 176.050 176.000 0.140 0.000 1.006 715 Q CA -0.543 55.414 55.803 0.256 0.000 0.818 715 Q CB 2.155 31.016 28.738 0.205 0.000 1.276 715 Q HN 0.732 nan 8.270 nan 0.000 0.450 716 I N 2.250 122.941 120.570 0.202 0.000 2.315 716 I HA -0.110 3.994 4.170 -0.110 0.000 0.248 716 I C 0.897 177.024 176.117 0.017 0.000 1.117 716 I CA 0.766 62.108 61.300 0.069 0.000 1.404 716 I CB 0.021 37.970 38.000 -0.085 0.000 1.071 716 I HN 0.580 nan 8.210 nan 0.000 0.419 717 N N -0.965 117.746 118.700 0.017 0.000 3.091 717 N HA 0.198 4.872 4.740 -0.110 0.000 0.329 717 N C 0.359 175.876 175.510 0.012 0.000 1.430 717 N CA -0.612 52.440 53.050 0.002 0.000 0.755 717 N CB 1.294 39.761 38.487 -0.034 0.000 1.626 717 N HN -0.079 nan 8.380 nan 0.000 0.614 718 Q N 1.132 120.939 119.800 0.012 0.000 1.922 718 Q HA -0.050 4.225 4.340 -0.110 0.000 0.201 718 Q C 0.298 176.318 176.000 0.033 0.000 0.979 718 Q CA 1.332 57.148 55.803 0.022 0.000 0.841 718 Q CB -1.097 27.658 28.738 0.028 0.000 0.903 718 Q HN 0.795 nan 8.270 nan 0.000 0.431 719 E N 4.374 124.591 120.200 0.027 0.000 2.328 719 E HA 0.170 4.454 4.350 -0.110 0.000 0.265 719 E C -2.292 174.332 176.600 0.039 0.000 1.057 719 E CA -1.506 54.914 56.400 0.032 0.000 0.916 719 E CB -0.602 29.110 29.700 0.021 0.000 0.993 719 E HN 0.100 nan 8.360 nan 0.000 0.446 720 P HA 0.666 nan 4.420 nan 0.000 0.286 720 P C 0.803 178.120 177.300 0.029 0.000 1.293 720 P CA 0.873 64.007 63.100 0.055 0.000 0.770 720 P CB 1.083 32.828 31.700 0.074 0.000 1.206 721 G N -1.273 107.536 108.800 0.016 0.000 2.247 721 G HA2 0.025 3.919 3.960 -0.110 0.000 0.229 721 G HA3 0.025 3.919 3.960 -0.110 0.000 0.229 721 G C -2.510 172.378 174.900 -0.019 0.000 1.345 721 G CA -0.085 45.016 45.100 0.002 0.000 1.100 721 G HN 0.309 nan 8.290 nan 0.000 0.473 722 P HA 0.208 nan 4.420 nan 0.000 0.218 722 P C 1.128 178.408 177.300 -0.032 0.000 1.151 722 P CA 1.198 64.279 63.100 -0.032 0.000 0.850 722 P CB 0.171 31.861 31.700 -0.017 0.000 0.801 723 E N -0.801 119.396 120.200 -0.005 0.000 2.502 723 E HA 0.005 4.289 4.350 -0.110 0.000 0.194 723 E C 0.395 177.016 176.600 0.036 0.000 1.062 723 E CA 0.329 56.740 56.400 0.019 0.000 0.867 723 E CB -0.245 29.472 29.700 0.028 0.000 0.888 723 E HN 0.129 nan 8.360 nan 0.000 0.510 724 N N 1.096 119.805 118.700 0.015 0.000 2.672 724 N HA 0.119 4.793 4.740 -0.110 0.000 0.295 724 N C -2.803 172.704 175.510 -0.006 0.000 1.924 724 N CA -1.839 51.238 53.050 0.045 0.000 0.851 724 N CB 0.736 39.247 38.487 0.041 0.000 1.281 724 N HN -0.096 nan 8.380 nan 0.000 0.494 725 P HA 0.169 nan 4.420 nan 0.000 0.272 725 P C 0.403 177.477 177.300 -0.377 0.000 1.230 725 P CA -0.298 62.597 63.100 -0.342 0.000 0.788 725 P CB 0.784 32.096 31.700 -0.647 0.000 0.949 726 I N 1.486 121.879 120.570 -0.295 0.000 2.517 726 I HA 0.187 4.291 4.170 -0.110 0.000 0.285 726 I C 0.017 175.978 176.117 -0.261 0.000 1.106 726 I CA -0.536 60.635 61.300 -0.215 0.000 1.402 726 I CB -1.255 36.436 38.000 -0.514 0.000 1.399 726 I HN 0.288 nan 8.210 nan 0.000 0.535 727 W N 3.659 125.021 121.300 0.104 0.000 2.516 727 W HA 0.755 5.349 4.660 -0.110 0.000 0.343 727 W C 0.354 176.947 176.519 0.123 0.000 1.094 727 W CA -0.374 57.071 57.345 0.166 0.000 1.250 727 W CB 1.734 31.366 29.460 0.287 0.000 1.308 727 W HN 0.704 nan 8.180 nan 0.000 0.588 728 T N 2.216 116.851 114.554 0.135 0.000 2.883 728 T HA 0.275 4.559 4.350 -0.110 0.000 0.301 728 T C -1.930 172.010 174.700 -1.267 0.000 1.158 728 T CA -1.438 60.398 62.100 -0.441 0.000 1.007 728 T CB 2.057 70.828 68.868 -0.161 0.000 1.186 728 T HN 0.120 nan 8.240 nan 0.000 0.499 729 P HA -0.031 nan 4.420 nan 0.000 0.228 729 P C 0.056 176.657 177.300 -1.165 0.000 1.151 729 P CA 1.011 62.809 63.100 -2.170 0.000 0.770 729 P CB -0.139 30.683 31.700 -1.463 0.000 0.786 730 H N -0.702 118.081 119.070 -0.479 0.000 2.539 730 H HA 0.242 4.732 4.556 -0.110 0.000 0.293 730 H C 0.404 175.652 175.328 -0.134 0.000 1.156 730 H CA -0.537 55.371 56.048 -0.234 0.000 1.012 730 H CB -0.219 29.438 29.762 -0.174 0.000 1.600 730 H HN -0.020 nan 8.280 nan 0.000 0.538 731 E N 0.732 120.905 120.200 -0.045 0.000 2.398 731 E HA -0.070 4.214 4.350 -0.110 0.000 0.263 731 E C 1.184 177.833 176.600 0.081 0.000 1.046 731 E CA 0.005 56.458 56.400 0.089 0.000 0.908 731 E CB 1.250 31.083 29.700 0.222 0.000 0.963 731 E HN 0.412 nan 8.360 nan 0.000 0.431 732 E N 2.234 122.488 120.200 0.091 0.000 2.106 732 E HA -0.154 4.130 4.350 -0.110 0.000 0.192 732 E C 0.610 177.261 176.600 0.085 0.000 0.984 732 E CA 0.811 57.255 56.400 0.072 0.000 0.806 732 E CB -0.006 29.733 29.700 0.065 0.000 0.750 732 E HN 0.388 nan 8.360 nan 0.000 0.458 733 N N 0.941 119.718 118.700 0.129 0.000 2.462 733 N HA -0.012 4.662 4.740 -0.110 0.000 0.242 733 N C 0.842 176.430 175.510 0.129 0.000 1.010 733 N CA 0.280 53.416 53.050 0.144 0.000 0.939 733 N CB 1.039 39.650 38.487 0.206 0.000 1.127 733 N HN 0.486 nan 8.380 nan 0.000 0.509 734 E N 3.534 123.743 120.200 0.015 0.000 2.209 734 E HA -0.257 4.027 4.350 -0.110 0.000 0.196 734 E C 0.126 176.741 176.600 0.024 0.000 0.993 734 E CA 1.242 57.633 56.400 -0.014 0.000 0.819 734 E CB -0.233 29.396 29.700 -0.118 0.000 0.745 734 E HN 0.628 nan 8.360 nan 0.000 0.477 735 H N 1.009 120.172 119.070 0.156 0.000 2.389 735 H HA -0.048 4.442 4.556 -0.110 0.000 0.299 735 H C 1.575 176.965 175.328 0.104 0.000 1.081 735 H CA 1.403 57.536 56.048 0.141 0.000 1.345 735 H CB -0.107 29.739 29.762 0.141 0.000 1.393 735 H HN 0.293 nan 8.280 nan 0.000 0.520 736 D N 0.356 120.903 120.400 0.244 0.000 2.182 736 D HA -0.180 4.394 4.640 -0.110 0.000 0.201 736 D C 2.077 178.431 176.300 0.089 0.000 0.986 736 D CA 0.516 54.599 54.000 0.138 0.000 0.847 736 D CB -0.398 40.618 40.800 0.360 0.000 0.942 736 D HN 0.518 nan 8.370 nan 0.000 0.467 737 W N 0.565 121.849 121.300 -0.026 0.000 2.380 737 W HA -0.233 4.361 4.660 -0.109 0.000 0.317 737 W C 2.115 178.494 176.519 -0.233 0.000 1.196 737 W CA 0.426 57.715 57.345 -0.093 0.000 1.307 737 W CB -0.272 29.134 29.460 -0.090 0.000 1.157 737 W HN -0.097 nan 8.180 nan 0.000 0.483 738 M N 1.283 120.652 119.600 -0.384 0.000 2.204 738 M HA -0.359 4.055 4.480 -0.110 0.000 0.255 738 M C 2.386 178.222 176.300 -0.774 0.000 1.073 738 M CA 2.800 57.698 55.300 -0.670 0.000 1.084 738 M CB -1.281 31.152 32.600 -0.278 0.000 1.289 738 M HN 0.161 nan 8.290 nan 0.000 0.419 739 M N -0.405 119.002 119.600 -0.320 0.000 2.106 739 M HA -0.130 4.284 4.480 -0.110 0.000 0.259 739 M C 1.974 178.181 176.300 -0.154 0.000 1.068 739 M CA 2.306 57.535 55.300 -0.118 0.000 1.100 739 M CB -0.846 31.765 32.600 0.018 0.000 1.351 739 M HN 0.356 nan 8.290 nan 0.000 0.404 740 A N -0.033 122.583 122.820 -0.339 0.000 1.858 740 A HA -0.218 4.036 4.320 -0.110 0.000 0.216 740 A C 2.135 179.549 177.584 -0.282 0.000 1.190 740 A CA 2.110 53.962 52.037 -0.308 0.000 0.617 740 A CB -0.757 18.016 19.000 -0.379 0.000 0.827 740 A HN 0.609 nan 8.150 nan 0.000 0.443 741 K N -1.018 118.954 120.400 -0.712 0.000 2.127 741 K HA -0.187 4.067 4.320 -0.110 0.000 0.208 741 K C 1.669 178.154 176.600 -0.192 0.000 1.047 741 K CA 1.812 57.660 56.287 -0.733 0.000 0.927 741 K CB -0.483 31.152 32.500 -1.440 0.000 0.716 741 K HN 0.646 nan 8.250 nan 0.000 0.450 742 F N -1.122 118.720 119.950 -0.181 0.000 2.234 742 F HA -0.156 4.305 4.527 -0.110 0.000 0.299 742 F C 2.008 177.673 175.800 -0.224 0.000 1.087 742 F CA 0.220 58.103 58.000 -0.195 0.000 1.340 742 F CB -0.167 38.650 39.000 -0.304 0.000 1.031 742 F HN 0.121 nan 8.300 nan 0.000 0.500 743 W N -0.390 120.954 121.300 0.073 0.000 2.418 743 W HA -0.114 4.480 4.660 -0.110 0.000 0.292 743 W C 2.236 178.770 176.519 0.026 0.000 1.213 743 W CA 0.099 57.465 57.345 0.035 0.000 1.283 743 W CB -0.481 28.966 29.460 -0.022 0.000 1.119 743 W HN -0.072 nan 8.180 nan 0.000 0.542 744 L N 0.848 122.239 121.223 0.281 0.000 2.012 744 L HA -0.060 4.214 4.340 -0.110 0.000 0.210 744 L C 2.308 179.262 176.870 0.141 0.000 1.073 744 L CA 2.591 57.575 54.840 0.240 0.000 0.748 744 L CB -1.493 40.829 42.059 0.439 0.000 0.891 744 L HN 0.033 nan 8.230 nan 0.000 0.431 745 G N -1.338 107.597 108.800 0.224 0.000 2.421 745 G HA2 -0.254 3.640 3.960 -0.110 0.000 0.216 745 G HA3 -0.254 3.640 3.960 -0.110 0.000 0.216 745 G C 1.725 176.649 174.900 0.039 0.000 1.171 745 G CA 1.012 46.196 45.100 0.139 0.000 0.775 745 G HN 0.355 nan 8.290 nan 0.000 0.543 746 V N 1.277 121.195 119.914 0.007 0.000 2.392 746 V HA -0.067 3.987 4.120 -0.110 0.000 0.249 746 V C 3.135 179.215 176.094 -0.022 0.000 1.059 746 V CA 2.546 64.829 62.300 -0.029 0.000 1.051 746 V CB -0.570 31.196 31.823 -0.095 0.000 0.658 746 V HN 0.450 nan 8.190 nan 0.000 0.455 747 A N -0.887 121.881 122.820 -0.088 0.000 1.873 747 A HA -0.227 4.027 4.320 -0.110 0.000 0.215 747 A C 2.265 179.625 177.584 -0.374 0.000 1.186 747 A CA 1.787 53.666 52.037 -0.263 0.000 0.616 747 A CB -0.656 18.041 19.000 -0.504 0.000 0.823 747 A HN 0.675 nan 8.150 nan 0.000 0.442 748 E N 0.013 119.949 120.200 -0.440 0.000 2.077 748 E HA -0.153 4.132 4.350 -0.110 0.000 0.193 748 E C 2.180 178.904 176.600 0.205 0.000 0.989 748 E CA 1.345 57.667 56.400 -0.130 0.000 0.800 748 E CB -0.093 29.590 29.700 -0.029 0.000 0.746 748 E HN 0.543 nan 8.360 nan 0.000 0.452 749 S N 0.869 116.680 115.700 0.186 0.000 2.359 749 S HA -0.195 4.209 4.470 -0.110 0.000 0.223 749 S C 1.709 176.462 174.600 0.256 0.000 1.039 749 S CA 1.762 60.155 58.200 0.322 0.000 1.042 749 S CB -0.455 62.885 63.200 0.232 0.000 0.915 749 S HN 0.334 nan 8.310 nan 0.000 0.439 750 N N 0.340 119.122 118.700 0.136 0.000 2.188 750 N HA 0.016 4.690 4.740 -0.110 0.000 0.184 750 N C 1.468 177.088 175.510 0.184 0.000 1.018 750 N CA 1.015 54.109 53.050 0.073 0.000 0.858 750 N CB -0.281 38.173 38.487 -0.055 0.000 0.989 750 N HN 0.420 nan 8.380 nan 0.000 0.426 751 F N 0.973 121.008 119.950 0.141 0.000 2.113 751 F HA -0.188 4.274 4.527 -0.109 0.000 0.297 751 F C 2.626 178.626 175.800 0.333 0.000 1.103 751 F CA 1.436 59.653 58.000 0.362 0.000 1.248 751 F CB -0.307 38.995 39.000 0.503 0.000 0.999 751 F HN 0.222 nan 8.300 nan 0.000 0.475 752 H N -0.116 119.264 119.070 0.516 0.000 2.290 752 H HA -0.178 4.312 4.556 -0.109 0.000 0.298 752 H C 2.123 177.572 175.328 0.203 0.000 1.087 752 H CA 2.133 58.376 56.048 0.325 0.000 1.291 752 H CB -0.405 29.481 29.762 0.207 0.000 1.369 752 H HN 0.286 nan 8.280 nan 0.000 0.492 753 Q N 0.370 120.090 119.800 -0.133 0.000 2.050 753 Q HA -0.063 4.212 4.340 -0.110 0.000 0.202 753 Q C 2.945 178.902 176.000 -0.071 0.000 0.980 753 Q CA 1.500 57.189 55.803 -0.191 0.000 0.840 753 Q CB -0.299 28.413 28.738 -0.043 0.000 0.898 753 Q HN 0.587 nan 8.270 nan 0.000 0.424 754 L N -0.175 121.071 121.223 0.039 0.000 2.168 754 L HA 0.041 4.315 4.340 -0.110 0.000 0.203 754 L C 2.383 179.251 176.870 -0.005 0.000 1.078 754 L CA 1.134 56.028 54.840 0.090 0.000 0.780 754 L CB -0.278 41.975 42.059 0.323 0.000 0.939 754 L HN 0.297 nan 8.230 nan 0.000 0.451 755 N N -0.604 118.052 118.700 -0.073 0.000 2.319 755 N HA -0.088 4.586 4.740 -0.110 0.000 0.189 755 N C 1.745 177.131 175.510 -0.207 0.000 1.042 755 N CA 1.779 54.662 53.050 -0.278 0.000 0.879 755 N CB -0.114 37.962 38.487 -0.685 0.000 1.052 755 N HN -0.019 nan 8.380 nan 0.000 0.446 756 T N -0.296 114.154 114.554 -0.173 0.000 2.777 756 T HA -0.099 4.185 4.350 -0.110 0.000 0.266 756 T C 1.606 176.346 174.700 0.067 0.000 1.040 756 T CA 1.210 63.304 62.100 -0.010 0.000 1.141 756 T CB -0.324 68.641 68.868 0.160 0.000 0.868 756 T HN 0.407 nan 8.240 nan 0.000 0.444 757 H N -0.370 118.633 119.070 -0.113 0.000 2.297 757 H HA 0.154 4.645 4.556 -0.109 0.000 0.317 757 H C 2.207 177.590 175.328 0.092 0.000 1.062 757 H CA 0.483 56.510 56.048 -0.033 0.000 1.431 757 H CB -0.096 29.539 29.762 -0.212 0.000 1.452 757 H HN 0.097 nan 8.280 nan 0.000 0.565 758 L N 0.668 121.781 121.223 -0.184 0.000 2.023 758 L HA -0.119 4.155 4.340 -0.110 0.000 0.205 758 L C 2.635 179.456 176.870 -0.083 0.000 1.073 758 L CA 1.079 55.764 54.840 -0.258 0.000 0.745 758 L CB -0.673 41.257 42.059 -0.216 0.000 0.900 758 L HN 0.320 nan 8.230 nan 0.000 0.435 759 L N -0.679 120.500 121.223 -0.074 0.000 2.007 759 L HA -0.118 4.156 4.340 -0.110 0.000 0.205 759 L C 2.520 179.387 176.870 -0.004 0.000 1.073 759 L CA 1.632 56.427 54.840 -0.075 0.000 0.744 759 L CB -0.442 41.547 42.059 -0.117 0.000 0.898 759 L HN 0.114 nan 8.230 nan 0.000 0.435 760 R N -1.054 119.455 120.500 0.015 0.000 2.280 760 R HA -0.020 4.254 4.340 -0.110 0.000 0.207 760 R C 1.543 177.972 176.300 0.215 0.000 1.043 760 R CA 1.180 57.330 56.100 0.082 0.000 1.006 760 R CB -0.341 29.932 30.300 -0.046 0.000 0.885 760 R HN 0.688 nan 8.270 nan 0.000 0.467 761 T N -3.237 111.439 114.554 0.203 0.000 3.556 761 T HA 0.053 4.337 4.350 -0.110 0.000 0.204 761 T C 1.552 176.350 174.700 0.162 0.000 0.896 761 T CA -0.255 61.984 62.100 0.231 0.000 1.380 761 T CB -0.472 68.584 68.868 0.313 0.000 1.584 761 T HN 0.026 nan 8.240 nan 0.000 0.411 762 H N 1.775 120.880 119.070 0.058 0.000 2.315 762 H HA -0.133 4.356 4.556 -0.111 0.000 0.284 762 H C 2.293 177.652 175.328 0.052 0.000 1.102 762 H CA 2.597 58.653 56.048 0.013 0.000 1.159 762 H CB -0.694 29.001 29.762 -0.111 0.000 1.382 762 H HN 0.279 nan 8.280 nan 0.000 0.542 763 L N 0.257 121.557 121.223 0.129 0.000 2.131 763 L HA -0.104 4.170 4.340 -0.110 0.000 0.206 763 L C 2.972 179.878 176.870 0.060 0.000 1.087 763 L CA 1.487 56.353 54.840 0.043 0.000 0.767 763 L CB -0.596 41.422 42.059 -0.068 0.000 0.917 763 L HN 0.454 nan 8.230 nan 0.000 0.441 764 T N -3.535 111.060 114.554 0.067 0.000 2.777 764 T HA -0.168 4.116 4.350 -0.110 0.000 0.266 764 T C 1.863 176.891 174.700 0.548 0.000 1.040 764 T CA 1.588 63.794 62.100 0.177 0.000 1.141 764 T CB -0.919 67.951 68.868 0.004 0.000 0.868 764 T HN 0.427 nan 8.240 nan 0.000 0.444 765 T N -0.183 114.588 114.554 0.361 0.000 3.035 765 T HA 0.052 4.336 4.350 -0.110 0.000 0.268 765 T C 1.802 176.752 174.700 0.416 0.000 1.109 765 T CA 1.062 63.318 62.100 0.261 0.000 1.119 765 T CB -0.431 68.252 68.868 -0.309 0.000 0.900 765 T HN 0.585 nan 8.240 nan 0.000 0.503 766 E N 1.331 121.741 120.200 0.351 0.000 2.153 766 E HA -0.143 4.141 4.350 -0.110 0.000 0.194 766 E C 2.070 178.840 176.600 0.284 0.000 0.988 766 E CA 1.268 57.848 56.400 0.300 0.000 0.811 766 E CB -0.200 29.611 29.700 0.185 0.000 0.746 766 E HN 0.654 nan 8.360 nan 0.000 0.466 767 S N 0.136 116.048 115.700 0.352 0.000 2.368 767 S HA -0.136 4.268 4.470 -0.110 0.000 0.225 767 S C 1.582 176.273 174.600 0.152 0.000 1.030 767 S CA 1.087 59.504 58.200 0.361 0.000 0.999 767 S CB -0.412 63.058 63.200 0.450 0.000 0.844 767 S HN 0.284 nan 8.310 nan 0.000 0.459 768 F N 1.945 121.975 119.950 0.133 0.000 2.186 768 F HA 0.003 4.463 4.527 -0.111 0.000 0.299 768 F C 2.617 178.561 175.800 0.240 0.000 1.090 768 F CA 0.740 58.768 58.000 0.047 0.000 1.307 768 F CB -0.575 38.457 39.000 0.053 0.000 1.019 768 F HN 0.187 nan 8.300 nan 0.000 0.489 769 A N -0.188 122.937 122.820 0.507 0.000 1.902 769 A HA -0.172 4.082 4.320 -0.110 0.000 0.217 769 A C 2.065 179.811 177.584 0.269 0.000 1.181 769 A CA 1.502 53.781 52.037 0.404 0.000 0.623 769 A CB -1.012 18.203 19.000 0.358 0.000 0.818 769 A HN 0.352 nan 8.150 nan 0.000 0.443 770 L N -0.379 120.908 121.223 0.107 0.000 2.056 770 L HA -0.081 4.193 4.340 -0.110 0.000 0.207 770 L C 2.597 179.406 176.870 -0.101 0.000 1.078 770 L CA 2.434 57.220 54.840 -0.090 0.000 0.749 770 L CB -0.624 41.157 42.059 -0.462 0.000 0.901 770 L HN 0.333 nan 8.230 nan 0.000 0.433 771 S N -1.628 114.028 115.700 -0.074 0.000 2.382 771 S HA -0.204 4.200 4.470 -0.110 0.000 0.228 771 S C 1.917 176.678 174.600 0.269 0.000 1.027 771 S CA 1.775 59.978 58.200 0.006 0.000 0.991 771 S CB -0.442 62.629 63.200 -0.215 0.000 0.823 771 S HN 0.665 nan 8.310 nan 0.000 0.469 772 T N 0.408 115.212 114.554 0.415 0.000 2.665 772 T HA -0.165 4.119 4.350 -0.110 0.000 0.268 772 T C 1.193 175.926 174.700 0.054 0.000 1.035 772 T CA 1.829 64.155 62.100 0.377 0.000 1.151 772 T CB -0.513 68.469 68.868 0.190 0.000 0.862 772 T HN 0.649 nan 8.240 nan 0.000 0.438 773 W N 1.355 122.642 121.300 -0.022 0.000 2.388 773 W HA 0.049 4.658 4.660 -0.085 0.000 0.294 773 W C 2.689 179.084 176.519 -0.208 0.000 1.212 773 W CA 0.400 57.577 57.345 -0.280 0.000 1.271 773 W CB -0.154 28.678 29.460 -1.046 0.000 1.126 773 W HN 0.119 nan 8.180 nan 0.000 0.535 774 R N -0.230 120.327 120.500 0.094 0.000 2.090 774 R HA -0.066 4.209 4.340 -0.110 0.000 0.228 774 R C 1.438 177.822 176.300 0.140 0.000 1.110 774 R CA 1.321 57.496 56.100 0.124 0.000 0.973 774 R CB -0.322 30.026 30.300 0.081 0.000 0.869 774 R HN 0.214 nan 8.270 nan 0.000 0.440 775 N N -0.562 118.235 118.700 0.162 0.000 2.317 775 N HA 0.106 4.780 4.740 -0.110 0.000 0.199 775 N C -0.169 175.385 175.510 0.073 0.000 1.145 775 N CA 0.225 53.375 53.050 0.166 0.000 0.882 775 N CB 1.050 39.701 38.487 0.272 0.000 1.113 775 N HN 0.053 nan 8.380 nan 0.000 0.486 776 L N 1.741 122.969 121.223 0.008 0.000 2.280 776 L HA 0.517 4.792 4.340 -0.110 0.000 0.287 776 L C 0.366 177.107 176.870 -0.216 0.000 1.023 776 L CA -0.709 54.033 54.840 -0.163 0.000 0.819 776 L CB 1.449 43.361 42.059 -0.243 0.000 1.212 776 L HN -0.062 nan 8.230 nan 0.000 0.420 777 A N 2.198 124.898 122.820 -0.201 0.000 2.492 777 A HA 0.147 4.401 4.320 -0.110 0.000 0.236 777 A C 1.347 178.590 177.584 -0.567 0.000 1.078 777 A CA 0.367 52.230 52.037 -0.290 0.000 0.773 777 A CB 0.349 19.244 19.000 -0.175 0.000 1.023 777 A HN 0.896 nan 8.150 nan 0.000 0.504 778 S N 0.722 116.018 115.700 -0.674 0.000 2.447 778 S HA 0.022 4.426 4.470 -0.110 0.000 0.233 778 S C 1.569 175.969 174.600 -0.334 0.000 1.006 778 S CA 1.033 58.694 58.200 -0.898 0.000 0.957 778 S CB -0.404 62.435 63.200 -0.601 0.000 0.773 778 S HN 1.355 nan 8.310 nan 0.000 0.507 779 A N 0.644 123.325 122.820 -0.231 0.000 2.206 779 A HA 0.151 4.405 4.320 -0.110 0.000 0.211 779 A C 0.836 178.254 177.584 -0.276 0.000 1.158 779 A CA 0.214 52.116 52.037 -0.224 0.000 0.761 779 A CB -0.808 17.967 19.000 -0.375 0.000 0.801 779 A HN 0.726 nan 8.150 nan 0.000 0.473 780 H N 0.411 119.284 119.070 -0.328 0.000 2.690 780 H HA 0.231 4.721 4.556 -0.110 0.000 0.314 780 H C -1.427 173.650 175.328 -0.418 0.000 1.069 780 H CA -1.511 54.332 56.048 -0.343 0.000 1.436 780 H CB 1.276 30.885 29.762 -0.256 0.000 1.462 780 H HN 0.024 nan 8.280 nan 0.000 0.511 781 P HA -0.214 nan 4.420 nan 0.000 0.218 781 P C 1.118 178.231 177.300 -0.311 0.000 1.148 781 P CA 1.107 63.769 63.100 -0.730 0.000 0.822 781 P CB 0.390 31.212 31.700 -1.463 0.000 0.784 782 I N -1.958 118.627 120.570 0.024 0.000 2.716 782 I HA -0.095 4.010 4.170 -0.110 0.000 0.259 782 I C 2.326 178.288 176.117 -0.260 0.000 1.172 782 I CA 0.564 61.810 61.300 -0.090 0.000 1.478 782 I CB -1.492 36.426 38.000 -0.137 0.000 1.104 782 I HN -0.131 nan 8.210 nan 0.000 0.439 783 F N 2.685 122.422 119.950 -0.355 0.000 2.069 783 F HA -0.242 4.217 4.527 -0.114 0.000 0.298 783 F C 2.490 178.002 175.800 -0.479 0.000 1.113 783 F CA 1.908 59.643 58.000 -0.442 0.000 1.214 783 F CB -0.171 38.583 39.000 -0.411 0.000 0.978 783 F HN -0.092 nan 8.300 nan 0.000 0.474 784 K N -0.057 120.045 120.400 -0.496 0.000 2.063 784 K HA -0.225 4.029 4.320 -0.110 0.000 0.208 784 K C 1.963 178.125 176.600 -0.730 0.000 1.048 784 K CA 1.796 57.541 56.287 -0.903 0.000 0.928 784 K CB -0.695 30.788 32.500 -1.696 0.000 0.713 784 K HN 0.301 nan 8.250 nan 0.000 0.442 785 L N 1.172 122.185 121.223 -0.350 0.000 2.046 785 L HA -0.146 4.128 4.340 -0.110 0.000 0.208 785 L C 1.835 178.666 176.870 -0.065 0.000 1.077 785 L CA 1.604 56.464 54.840 0.033 0.000 0.747 785 L CB -0.138 41.968 42.059 0.079 0.000 0.896 785 L HN 0.132 nan 8.230 nan 0.000 0.432 786 L N -1.412 119.665 121.223 -0.244 0.000 2.209 786 L HA -0.074 4.200 4.340 -0.110 0.000 0.207 786 L C 2.522 179.230 176.870 -0.270 0.000 1.094 786 L CA 0.774 55.515 54.840 -0.165 0.000 0.790 786 L CB -0.485 41.447 42.059 -0.211 0.000 0.932 786 L HN 0.405 nan 8.230 nan 0.000 0.447 787 Q N 0.970 120.446 119.800 -0.540 0.000 2.096 787 Q HA -0.219 4.055 4.340 -0.110 0.000 0.208 787 Q C -0.711 175.135 176.000 -0.258 0.000 0.993 787 Q CA 2.333 57.816 55.803 -0.532 0.000 0.862 787 Q CB -0.677 27.657 28.738 -0.673 0.000 0.915 787 Q HN 0.316 nan 8.270 nan 0.000 0.416 788 P HA -0.121 nan 4.420 nan 0.000 0.233 788 P C 0.271 177.442 177.300 -0.216 0.000 1.167 788 P CA 1.264 64.232 63.100 -0.219 0.000 0.770 788 P CB 0.037 31.605 31.700 -0.221 0.000 0.837 789 H N -0.608 118.430 119.070 -0.054 0.000 2.604 789 H HA 0.201 4.691 4.556 -0.110 0.000 0.273 789 H C 1.955 176.935 175.328 -0.581 0.000 0.971 789 H CA 0.507 56.481 56.048 -0.122 0.000 1.249 789 H CB 0.230 30.003 29.762 0.019 0.000 1.449 789 H HN 0.225 nan 8.280 nan 0.000 0.512 790 I N -1.557 118.767 120.570 -0.409 0.000 3.251 790 I HA 0.008 4.112 4.170 -0.110 0.000 0.277 790 I C 0.862 176.873 176.117 -0.177 0.000 1.268 790 I CA -0.169 60.791 61.300 -0.566 0.000 1.449 790 I CB -0.536 37.333 38.000 -0.218 0.000 1.083 790 I HN -0.122 nan 8.210 nan 0.000 0.464 791 Y N 3.316 123.542 120.300 -0.123 0.000 2.610 791 Y HA 0.397 4.879 4.550 -0.114 0.000 0.332 791 Y C 1.277 177.213 175.900 0.060 0.000 1.201 791 Y CA 0.825 58.948 58.100 0.037 0.000 1.465 791 Y CB 0.637 39.135 38.460 0.063 0.000 1.283 791 Y HN 0.387 nan 8.280 nan 0.000 0.563 792 G N 3.371 111.765 108.800 -0.677 0.000 2.345 792 G HA2 -0.358 3.536 3.960 -0.110 0.000 0.218 792 G HA3 -0.358 3.536 3.960 -0.110 0.000 0.218 792 G C 0.802 175.575 174.900 -0.211 0.000 1.058 792 G CA 0.343 45.091 45.100 -0.587 0.000 0.632 792 G HN 0.988 nan 8.290 nan 0.000 0.508 793 V N 1.685 121.523 119.914 -0.125 0.000 2.427 793 V HA 0.053 4.107 4.120 -0.110 0.000 0.248 793 V C 2.790 178.873 176.094 -0.018 0.000 1.051 793 V CA 2.746 65.035 62.300 -0.019 0.000 1.048 793 V CB -0.255 31.637 31.823 0.114 0.000 0.666 793 V HN 0.506 nan 8.190 nan 0.000 0.456 794 L N -0.173 121.027 121.223 -0.039 0.000 2.056 794 L HA -0.079 4.195 4.340 -0.110 0.000 0.207 794 L C 2.735 179.510 176.870 -0.159 0.000 1.078 794 L CA 1.606 56.410 54.840 -0.061 0.000 0.749 794 L CB -0.861 41.177 42.059 -0.036 0.000 0.901 794 L HN 0.401 nan 8.230 nan 0.000 0.433 795 A N 0.180 122.846 122.820 -0.257 0.000 1.841 795 A HA -0.228 4.026 4.320 -0.110 0.000 0.214 795 A C 2.215 179.475 177.584 -0.541 0.000 1.195 795 A CA 1.782 53.565 52.037 -0.423 0.000 0.611 795 A CB -0.737 17.875 19.000 -0.648 0.000 0.835 795 A HN 0.290 nan 8.150 nan 0.000 0.443 796 I N 0.328 120.554 120.570 -0.574 0.000 2.286 796 I HA -0.203 3.901 4.170 -0.110 0.000 0.248 796 I C 1.316 177.319 176.117 -0.190 0.000 1.115 796 I CA 1.955 63.025 61.300 -0.382 0.000 1.392 796 I CB -0.351 37.638 38.000 -0.019 0.000 1.065 796 I HN 0.276 nan 8.210 nan 0.000 0.418 797 D N -0.403 119.939 120.400 -0.097 0.000 2.149 797 D HA -0.122 4.452 4.640 -0.110 0.000 0.201 797 D C 2.214 178.456 176.300 -0.096 0.000 0.972 797 D CA 1.585 55.548 54.000 -0.061 0.000 0.835 797 D CB -0.435 40.365 40.800 0.000 0.000 0.966 797 D HN 0.308 nan 8.370 nan 0.000 0.476 798 T N 1.022 115.502 114.554 -0.124 0.000 2.708 798 T HA -0.083 4.201 4.350 -0.110 0.000 0.266 798 T C 2.191 176.830 174.700 -0.103 0.000 1.037 798 T CA 0.612 62.647 62.100 -0.109 0.000 1.146 798 T CB -0.262 68.532 68.868 -0.124 0.000 0.865 798 T HN 0.141 nan 8.240 nan 0.000 0.435 799 I N 1.177 121.652 120.570 -0.158 0.000 2.194 799 I HA -0.169 3.935 4.170 -0.110 0.000 0.246 799 I C 2.819 178.883 176.117 -0.089 0.000 1.093 799 I CA 1.471 62.677 61.300 -0.156 0.000 1.355 799 I CB -0.637 37.158 38.000 -0.341 0.000 1.046 799 I HN 0.318 nan 8.210 nan 0.000 0.413 800 G N 0.200 108.939 108.800 -0.101 0.000 2.394 800 G HA2 -0.170 3.724 3.960 -0.110 0.000 0.215 800 G HA3 -0.170 3.724 3.960 -0.110 0.000 0.215 800 G C 1.813 176.691 174.900 -0.037 0.000 1.165 800 G CA 0.247 45.309 45.100 -0.063 0.000 0.784 800 G HN 0.259 nan 8.290 nan 0.000 0.535 801 R N 0.368 120.843 120.500 -0.043 0.000 2.096 801 R HA 0.003 4.277 4.340 -0.110 0.000 0.235 801 R C 2.803 179.095 176.300 -0.012 0.000 1.127 801 R CA 1.652 57.737 56.100 -0.024 0.000 0.968 801 R CB -0.179 30.101 30.300 -0.033 0.000 0.861 801 R HN 0.422 nan 8.270 nan 0.000 0.440 802 K N 0.970 121.359 120.400 -0.018 0.000 2.444 802 K HA 0.158 4.412 4.320 -0.110 0.000 0.193 802 K C 0.554 177.159 176.600 0.007 0.000 1.024 802 K CA 1.412 57.694 56.287 -0.008 0.000 1.077 802 K CB -0.005 32.486 32.500 -0.014 0.000 0.833 802 K HN 0.487 nan 8.250 nan 0.000 0.517 812 D N -1.458 118.807 120.400 -0.224 0.000 1.490 812 D HA -0.100 4.474 4.640 -0.110 0.000 0.826 812 D C 1.113 177.276 176.300 -0.228 0.000 0.451 812 D CA 1.336 55.191 54.000 -0.242 0.000 1.354 812 D CB 0.608 41.271 40.800 -0.227 0.000 1.048 812 D HN 0.275 nan 8.370 nan 0.000 0.389 813 Q N 0.042 119.717 119.800 -0.209 0.000 2.451 813 Q HA 0.116 4.390 4.340 -0.110 0.000 0.206 813 Q C 1.882 177.738 176.000 -0.240 0.000 0.947 813 Q CA 1.304 56.962 55.803 -0.241 0.000 0.937 813 Q CB 0.216 28.853 28.738 -0.169 0.000 1.025 813 Q HN 0.536 nan 8.270 nan 0.000 0.511 814 S N -2.020 113.550 115.700 -0.217 0.000 2.733 814 S HA 0.389 4.793 4.470 -0.110 0.000 0.247 814 S C 0.152 174.631 174.600 -0.202 0.000 1.043 814 S CA -0.446 57.631 58.200 -0.206 0.000 1.066 814 S CB 0.340 63.422 63.200 -0.197 0.000 1.045 814 S HN 0.304 nan 8.310 nan 0.000 0.586 815 L N 1.223 122.334 121.223 -0.186 0.000 2.362 815 L HA 0.517 4.791 4.340 -0.110 0.000 0.271 815 L C 1.013 177.819 176.870 -0.107 0.000 1.002 815 L CA -0.611 54.143 54.840 -0.144 0.000 0.818 815 L CB 2.112 44.096 42.059 -0.126 0.000 1.298 815 L HN 0.076 nan 8.230 nan 0.000 0.420 816 S N 1.789 117.446 115.700 -0.072 0.000 2.374 816 S HA -0.153 4.251 4.470 -0.110 0.000 0.227 816 S C 1.383 175.997 174.600 0.024 0.000 1.037 816 S CA 1.514 59.701 58.200 -0.022 0.000 1.024 816 S CB -0.115 63.091 63.200 0.011 0.000 0.861 816 S HN 0.418 nan 8.310 nan 0.000 0.456 817 L N 1.248 122.479 121.223 0.013 0.000 2.599 817 L HA 0.258 4.532 4.340 -0.110 0.000 0.230 817 L C 1.413 178.365 176.870 0.137 0.000 1.141 817 L CA 0.028 54.907 54.840 0.064 0.000 0.877 817 L CB -1.241 40.829 42.059 0.018 0.000 1.009 817 L HN 0.184 nan 8.230 nan 0.000 0.447 818 G N -1.668 107.164 108.800 0.052 0.000 2.716 818 G HA2 0.357 4.251 3.960 -0.110 0.000 0.251 818 G HA3 0.357 4.251 3.960 -0.110 0.000 0.251 818 G C 1.063 176.134 174.900 0.285 0.000 1.224 818 G CA 0.215 45.329 45.100 0.022 0.000 0.891 818 G HN 0.446 nan 8.290 nan 0.000 0.561 819 G N -1.937 107.053 108.800 0.317 0.000 2.213 819 G HA2 0.218 4.112 3.960 -0.110 0.000 0.236 819 G HA3 0.218 4.112 3.960 -0.110 0.000 0.236 819 G C 1.272 176.316 174.900 0.240 0.000 0.991 819 G CA 1.074 46.380 45.100 0.344 0.000 0.629 819 G HN 2.499 nan 8.290 nan 0.000 0.517 820 G N -1.416 107.594 108.800 0.350 0.000 2.901 820 G HA2 0.267 4.161 3.960 -0.110 0.000 0.194 820 G HA3 0.267 4.161 3.960 -0.110 0.000 0.194 820 G C 1.636 176.500 174.900 -0.060 0.000 1.020 820 G CA 1.196 46.334 45.100 0.064 0.000 0.787 820 G HN 1.696 nan 8.290 nan 0.000 0.477 821 G N 1.010 109.860 108.800 0.084 0.000 2.509 821 G HA2 0.030 3.924 3.960 -0.110 0.000 0.218 821 G HA3 0.030 3.924 3.960 -0.110 0.000 0.218 821 G C 1.446 176.418 174.900 0.121 0.000 1.124 821 G CA 1.882 47.031 45.100 0.082 0.000 0.776 821 G HN 0.830 nan 8.290 nan 0.000 0.547 822 H N -0.096 119.033 119.070 0.097 0.000 2.357 822 H HA -0.009 4.480 4.556 -0.111 0.000 0.301 822 H C 2.489 177.899 175.328 0.136 0.000 1.082 822 H CA 1.228 57.352 56.048 0.127 0.000 1.342 822 H CB -1.182 28.625 29.762 0.074 0.000 1.389 822 H HN 0.139 nan 8.280 nan 0.000 0.511 823 V N 1.935 121.557 119.914 -0.486 0.000 2.255 823 V HA -0.256 3.799 4.120 -0.110 0.000 0.247 823 V C 2.293 178.337 176.094 -0.083 0.000 1.051 823 V CA 2.866 65.009 62.300 -0.262 0.000 1.018 823 V CB -0.948 30.678 31.823 -0.327 0.000 0.641 823 V HN 0.550 nan 8.190 nan 0.000 0.445 824 T N 0.276 114.801 114.554 -0.049 0.000 2.737 824 T HA -0.224 4.060 4.350 -0.110 0.000 0.269 824 T C 1.533 176.280 174.700 0.078 0.000 1.040 824 T CA 2.294 64.405 62.100 0.018 0.000 1.142 824 T CB -0.470 68.421 68.868 0.038 0.000 0.861 824 T HN 0.682 nan 8.240 nan 0.000 0.456 825 F N 1.041 120.987 119.950 -0.007 0.000 2.234 825 F HA 0.146 4.606 4.527 -0.110 0.000 0.296 825 F C 2.138 177.941 175.800 0.004 0.000 1.089 825 F CA 0.899 58.911 58.000 0.021 0.000 1.343 825 F CB -0.372 38.662 39.000 0.057 0.000 1.040 825 F HN 0.043 nan 8.300 nan 0.000 0.498 826 M N 0.194 119.720 119.600 -0.123 0.000 2.086 826 M HA -0.203 4.211 4.480 -0.110 0.000 0.261 826 M C 2.066 178.267 176.300 -0.164 0.000 1.067 826 M CA 1.943 57.118 55.300 -0.208 0.000 1.116 826 M CB -0.681 31.868 32.600 -0.085 0.000 1.348 826 M HN 0.169 nan 8.290 nan 0.000 0.407 827 E N 0.518 120.664 120.200 -0.090 0.000 2.065 827 E HA -0.280 4.004 4.350 -0.110 0.000 0.201 827 E C 1.982 178.528 176.600 -0.090 0.000 1.016 827 E CA 1.695 58.072 56.400 -0.038 0.000 0.818 827 E CB -0.233 29.458 29.700 -0.015 0.000 0.749 827 E HN 0.388 nan 8.360 nan 0.000 0.453 828 K N 0.520 120.840 120.400 -0.133 0.000 2.044 828 K HA -0.200 4.054 4.320 -0.110 0.000 0.210 828 K C 2.189 178.653 176.600 -0.226 0.000 1.049 828 K CA 1.854 58.048 56.287 -0.156 0.000 0.927 828 K CB -0.229 32.217 32.500 -0.090 0.000 0.713 828 K HN 0.179 nan 8.250 nan 0.000 0.443 829 C N 0.186 119.269 119.300 -0.363 0.000 2.429 829 C HA -0.080 4.314 4.460 -0.110 0.000 0.277 829 C C 2.407 177.283 174.990 -0.189 0.000 1.262 829 C CA 0.387 59.193 59.018 -0.353 0.000 1.733 829 C CB -1.075 26.323 27.740 -0.570 0.000 2.010 829 C HN 0.588 nan 8.230 nan 0.000 0.483 830 F N 2.109 121.884 119.950 -0.292 0.000 2.216 830 F HA -0.101 4.361 4.527 -0.108 0.000 0.300 830 F C 2.190 177.884 175.800 -0.177 0.000 1.085 830 F CA 1.505 59.346 58.000 -0.265 0.000 1.326 830 F CB -0.547 38.294 39.000 -0.265 0.000 1.027 830 F HN 0.155 nan 8.300 nan 0.000 0.497 831 K N -0.110 120.062 120.400 -0.380 0.000 2.160 831 K HA -0.193 4.062 4.320 -0.110 0.000 0.206 831 K C 1.406 177.858 176.600 -0.247 0.000 1.047 831 K CA 1.614 57.603 56.287 -0.496 0.000 0.930 831 K CB -0.153 32.050 32.500 -0.495 0.000 0.720 831 K HN 0.262 nan 8.250 nan 0.000 0.450 832 E N 0.222 120.310 120.200 -0.187 0.000 2.479 832 E HA 0.030 4.314 4.350 -0.110 0.000 0.193 832 E C -0.136 176.430 176.600 -0.056 0.000 1.049 832 E CA 0.091 56.429 56.400 -0.102 0.000 0.870 832 E CB 0.272 29.931 29.700 -0.068 0.000 0.944 832 E HN -0.034 nan 8.360 nan 0.000 0.492 833 V N 2.269 122.118 119.914 -0.109 0.000 2.555 833 V HA 0.104 4.158 4.120 -0.110 0.000 0.286 833 V C 0.070 176.253 176.094 0.147 0.000 1.044 833 V CA -0.229 62.038 62.300 -0.054 0.000 1.026 833 V CB 0.669 32.353 31.823 -0.232 0.000 0.981 833 V HN 0.084 nan 8.190 nan 0.000 0.480 834 N N 2.997 121.845 118.700 0.247 0.000 2.346 834 N HA 0.340 5.014 4.740 -0.110 0.000 0.289 834 N C 0.526 176.376 175.510 0.567 0.000 1.027 834 N CA -0.763 52.501 53.050 0.356 0.000 0.864 834 N CB 1.449 40.068 38.487 0.220 0.000 1.370 834 N HN 0.498 nan 8.380 nan 0.000 0.481 835 L N 2.443 124.073 121.223 0.679 0.000 2.123 835 L HA -0.225 4.049 4.340 -0.110 0.000 0.217 835 L C 1.739 178.945 176.870 0.559 0.000 1.081 835 L CA 1.906 57.116 54.840 0.616 0.000 0.772 835 L CB -0.419 41.834 42.059 0.322 0.000 0.890 835 L HN 0.746 nan 8.230 nan 0.000 0.437 836 Q N -0.576 119.463 119.800 0.398 0.000 2.364 836 Q HA -0.146 4.128 4.340 -0.110 0.000 0.207 836 Q C 1.501 177.683 176.000 0.302 0.000 0.970 836 Q CA 1.139 57.124 55.803 0.304 0.000 0.888 836 Q CB -0.300 28.543 28.738 0.174 0.000 0.951 836 Q HN 0.653 nan 8.270 nan 0.000 0.469 837 D N -0.841 119.763 120.400 0.339 0.000 2.350 837 D HA -0.126 4.448 4.640 -0.110 0.000 0.216 837 D C 0.751 177.123 176.300 0.119 0.000 0.968 837 D CA 0.721 54.822 54.000 0.167 0.000 0.894 837 D CB -0.069 40.757 40.800 0.043 0.000 0.909 837 D HN 0.361 nan 8.370 nan 0.000 0.520 838 Y N -0.747 119.702 120.300 0.249 0.000 2.457 838 Y HA 0.105 4.589 4.550 -0.110 0.000 0.263 838 Y C 0.587 176.633 175.900 0.243 0.000 1.164 838 Y CA -0.298 57.971 58.100 0.282 0.000 1.274 838 Y CB -0.185 38.469 38.460 0.323 0.000 1.097 838 Y HN -0.010 nan 8.280 nan 0.000 0.523 839 H N 0.602 119.772 119.070 0.168 0.000 2.761 839 H HA 0.181 4.671 4.556 -0.110 0.000 0.284 839 H C 1.031 176.004 175.328 -0.593 0.000 1.105 839 H CA -0.361 55.586 56.048 -0.168 0.000 1.352 839 H CB 0.725 30.480 29.762 -0.012 0.000 1.423 839 H HN 0.180 nan 8.280 nan 0.000 0.464 840 L N 7.298 127.716 121.223 -1.341 0.000 2.005 840 L HA 0.074 4.348 4.340 -0.110 0.000 0.207 840 L C -0.927 175.554 176.870 -0.648 0.000 1.072 840 L CA 1.276 55.574 54.840 -0.902 0.000 0.744 840 L CB -0.660 40.766 42.059 -1.055 0.000 0.895 840 L HN 0.606 nan 8.230 nan 0.000 0.433 841 P HA -0.134 nan 4.420 nan 0.000 0.216 841 P C 0.908 178.132 177.300 -0.127 0.000 1.150 841 P CA 1.784 64.663 63.100 -0.368 0.000 0.837 841 P CB -0.235 31.283 31.700 -0.304 0.000 0.786 842 N N -0.564 118.144 118.700 0.013 0.000 2.135 842 N HA -0.094 4.580 4.740 -0.110 0.000 0.186 842 N C 1.839 177.325 175.510 -0.040 0.000 1.027 842 N CA 0.859 53.859 53.050 -0.083 0.000 0.849 842 N CB -0.493 37.840 38.487 -0.257 0.000 1.002 842 N HN 0.014 nan 8.380 nan 0.000 0.425 843 A N 1.550 124.359 122.820 -0.019 0.000 1.917 843 A HA -0.145 4.109 4.320 -0.110 0.000 0.219 843 A C 2.140 179.739 177.584 0.026 0.000 1.182 843 A CA 1.254 53.299 52.037 0.014 0.000 0.633 843 A CB -0.754 18.263 19.000 0.028 0.000 0.819 843 A HN 0.190 nan 8.150 nan 0.000 0.448 844 L N -1.242 119.978 121.223 -0.006 0.000 2.095 844 L HA -0.131 4.144 4.340 -0.110 0.000 0.204 844 L C 2.769 179.663 176.870 0.040 0.000 1.080 844 L CA 1.448 56.309 54.840 0.035 0.000 0.759 844 L CB -0.579 41.469 42.059 -0.019 0.000 0.914 844 L HN 0.404 nan 8.230 nan 0.000 0.439 845 K N 0.863 121.264 120.400 0.002 0.000 1.991 845 K HA -0.257 3.997 4.320 -0.110 0.000 0.212 845 K C 2.180 178.793 176.600 0.022 0.000 1.049 845 K CA 2.067 58.358 56.287 0.007 0.000 0.932 845 K CB -0.347 32.142 32.500 -0.018 0.000 0.717 845 K HN 0.314 nan 8.250 nan 0.000 0.441 846 K N -0.091 120.317 120.400 0.013 0.000 2.160 846 K HA -0.140 4.114 4.320 -0.110 0.000 0.206 846 K C 2.237 178.860 176.600 0.039 0.000 1.047 846 K CA 1.939 58.238 56.287 0.021 0.000 0.930 846 K CB -0.137 32.372 32.500 0.015 0.000 0.720 846 K HN 0.187 nan 8.250 nan 0.000 0.450 847 R N -1.125 119.411 120.500 0.060 0.000 2.275 847 R HA 0.060 4.334 4.340 -0.110 0.000 0.199 847 R C 0.927 177.286 176.300 0.099 0.000 0.989 847 R CA 0.615 56.763 56.100 0.079 0.000 1.016 847 R CB 0.275 30.637 30.300 0.105 0.000 0.918 847 R HN 0.476 nan 8.270 nan 0.000 0.473 848 G N 0.776 109.634 108.800 0.097 0.000 2.160 848 G HA2 -0.250 3.644 3.960 -0.110 0.000 0.244 848 G HA3 -0.250 3.644 3.960 -0.110 0.000 0.244 848 G C 0.519 175.549 174.900 0.218 0.000 1.022 848 G CA 0.362 45.533 45.100 0.119 0.000 0.741 848 G HN 0.334 nan 8.290 nan 0.000 0.508 849 V N -2.114 117.922 119.914 0.203 0.000 3.380 849 V HA 0.373 4.427 4.120 -0.110 0.000 0.307 849 V C 1.253 177.482 176.094 0.225 0.000 1.434 849 V CA 1.040 63.481 62.300 0.236 0.000 1.075 849 V CB 0.688 32.651 31.823 0.233 0.000 0.954 849 V HN 0.326 nan 8.190 nan 0.000 0.444 850 D N -0.295 120.188 120.400 0.139 0.000 2.336 850 D HA 0.047 4.622 4.640 -0.110 0.000 0.228 850 D C 0.144 176.479 176.300 0.058 0.000 1.120 850 D CA 0.020 54.061 54.000 0.069 0.000 0.839 850 D CB 0.081 40.889 40.800 0.014 0.000 0.932 850 D HN 0.499 nan 8.370 nan 0.000 0.509 851 D N 1.417 121.870 120.400 0.089 0.000 2.443 851 D HA 0.155 4.729 4.640 -0.110 0.000 0.221 851 D C -1.595 174.745 176.300 0.066 0.000 1.097 851 D CA -2.347 51.695 54.000 0.071 0.000 0.865 851 D CB 1.904 42.751 40.800 0.078 0.000 1.034 851 D HN -0.119 nan 8.370 nan 0.000 0.511 852 P HA -0.111 nan 4.420 nan 0.000 0.228 852 P C 0.940 178.264 177.300 0.039 0.000 1.151 852 P CA 0.654 63.773 63.100 0.032 0.000 0.770 852 P CB 0.203 31.914 31.700 0.020 0.000 0.786 853 S N -1.890 113.842 115.700 0.053 0.000 2.503 853 S HA 0.133 4.537 4.470 -0.110 0.000 0.217 853 S C 1.974 176.638 174.600 0.106 0.000 0.999 853 S CA 0.665 58.904 58.200 0.065 0.000 0.914 853 S CB -0.674 62.559 63.200 0.056 0.000 0.782 853 S HN 0.160 nan 8.310 nan 0.000 0.520 854 K N 0.699 121.171 120.400 0.120 0.000 2.276 854 K HA 0.568 4.822 4.320 -0.110 0.000 0.198 854 K C 0.631 177.354 176.600 0.204 0.000 1.052 854 K CA 0.694 57.102 56.287 0.202 0.000 0.984 854 K CB -0.325 32.285 32.500 0.182 0.000 0.836 854 K HN 0.457 nan 8.250 nan 0.000 0.490 855 L N 1.882 123.145 121.223 0.066 0.000 2.490 855 L HA 0.433 4.707 4.340 -0.110 0.000 0.256 855 L C -3.069 173.750 176.870 -0.085 0.000 1.089 855 L CA -2.326 52.448 54.840 -0.111 0.000 0.916 855 L CB 2.174 44.023 42.059 -0.350 0.000 1.188 855 L HN -0.015 nan 8.230 nan 0.000 0.476 856 P HA 0.419 nan 4.420 nan 0.000 0.281 856 P C 0.288 177.504 177.300 -0.139 0.000 1.281 856 P CA 0.180 63.242 63.100 -0.063 0.000 0.811 856 P CB 0.965 32.650 31.700 -0.025 0.000 1.154 857 G N -0.347 108.335 108.800 -0.197 0.000 2.338 857 G HA2 -0.237 3.657 3.960 -0.110 0.000 0.296 857 G HA3 -0.237 3.657 3.960 -0.110 0.000 0.296 857 G C -0.565 173.801 174.900 -0.890 0.000 1.040 857 G CA -0.152 44.644 45.100 -0.508 0.000 1.004 857 G HN 0.516 nan 8.290 nan 0.000 0.509 858 F N 1.061 120.423 119.950 -0.981 0.000 2.552 858 F HA 0.613 5.074 4.527 -0.110 0.000 0.369 858 F C 0.704 176.120 175.800 -0.640 0.000 1.112 858 F CA -2.884 54.689 58.000 -0.712 0.000 1.129 858 F CB 0.312 39.078 39.000 -0.390 0.000 1.360 858 F HN 0.139 nan 8.300 nan 0.000 0.473 859 Y N 3.222 123.398 120.300 -0.208 0.000 2.448 859 Y HA -0.139 4.345 4.550 -0.110 0.000 0.289 859 Y C 2.080 177.672 175.900 -0.514 0.000 1.114 859 Y CA 0.967 58.830 58.100 -0.395 0.000 1.235 859 Y CB -0.492 37.718 38.460 -0.416 0.000 1.045 859 Y HN 0.602 nan 8.280 nan 0.000 0.554 860 Y N 1.925 121.836 120.300 -0.649 0.000 2.114 860 Y HA -0.335 4.149 4.550 -0.110 0.000 0.282 860 Y C 2.703 178.387 175.900 -0.359 0.000 1.165 860 Y CA 1.941 59.882 58.100 -0.265 0.000 1.148 860 Y CB -0.450 37.996 38.460 -0.024 0.000 0.972 860 Y HN -0.010 nan 8.280 nan 0.000 0.504 861 R N 0.267 120.130 120.500 -1.062 0.000 2.103 861 R HA -0.209 4.065 4.340 -0.110 0.000 0.234 861 R C 1.777 177.776 176.300 -0.502 0.000 1.132 861 R CA 2.453 57.949 56.100 -1.008 0.000 0.925 861 R CB -0.572 28.898 30.300 -1.383 0.000 0.842 861 R HN 0.386 nan 8.270 nan 0.000 0.430 862 D N 0.246 120.437 120.400 -0.349 0.000 2.144 862 D HA -0.123 4.451 4.640 -0.110 0.000 0.200 862 D C 1.484 177.761 176.300 -0.038 0.000 0.978 862 D CA 1.256 55.178 54.000 -0.129 0.000 0.833 862 D CB -0.341 40.449 40.800 -0.018 0.000 0.961 862 D HN 0.344 nan 8.370 nan 0.000 0.470 863 D N -0.177 120.223 120.400 0.000 0.000 2.183 863 D HA 0.001 4.575 4.640 -0.110 0.000 0.205 863 D C 2.220 178.586 176.300 0.111 0.000 0.962 863 D CA 1.075 55.139 54.000 0.107 0.000 0.849 863 D CB -0.643 40.298 40.800 0.235 0.000 0.978 863 D HN 0.235 nan 8.370 nan 0.000 0.488 864 G N 0.938 109.741 108.800 0.006 0.000 2.440 864 G HA2 -0.206 3.688 3.960 -0.110 0.000 0.218 864 G HA3 -0.206 3.688 3.960 -0.110 0.000 0.218 864 G C 1.715 176.696 174.900 0.134 0.000 1.154 864 G CA 0.362 45.515 45.100 0.089 0.000 0.767 864 G HN 0.239 nan 8.290 nan 0.000 0.552 865 L N 0.529 121.734 121.223 -0.031 0.000 2.093 865 L HA 0.022 4.296 4.340 -0.110 0.000 0.208 865 L C 3.379 180.323 176.870 0.122 0.000 1.085 865 L CA 0.857 55.694 54.840 -0.004 0.000 0.755 865 L CB -0.307 41.699 42.059 -0.088 0.000 0.904 865 L HN 0.308 nan 8.230 nan 0.000 0.435 866 A N 0.094 122.980 122.820 0.111 0.000 1.930 866 A HA -0.131 4.123 4.320 -0.110 0.000 0.217 866 A C 2.211 179.912 177.584 0.195 0.000 1.175 866 A CA 1.316 53.431 52.037 0.131 0.000 0.627 866 A CB -0.556 18.502 19.000 0.098 0.000 0.815 866 A HN 0.354 nan 8.150 nan 0.000 0.443 867 L N -1.823 119.556 121.223 0.260 0.000 2.109 867 L HA -0.149 4.125 4.340 -0.110 0.000 0.207 867 L C 2.586 179.699 176.870 0.406 0.000 1.086 867 L CA 1.070 56.109 54.840 0.332 0.000 0.760 867 L CB -0.553 41.724 42.059 0.364 0.000 0.910 867 L HN 0.762 nan 8.230 nan 0.000 0.437 868 W N 1.752 123.184 121.300 0.220 0.000 2.317 868 W HA -0.258 4.336 4.660 -0.110 0.000 0.318 868 W C 2.338 178.884 176.519 0.045 0.000 1.227 868 W CA 2.125 59.486 57.345 0.027 0.000 1.269 868 W CB -0.169 29.102 29.460 -0.316 0.000 1.155 868 W HN 0.275 nan 8.180 nan 0.000 0.484 869 E N 0.803 121.162 120.200 0.265 0.000 2.085 869 E HA -0.193 4.091 4.350 -0.110 0.000 0.194 869 E C 2.150 178.810 176.600 0.100 0.000 0.994 869 E CA 1.866 58.368 56.400 0.170 0.000 0.801 869 E CB -0.482 29.326 29.700 0.179 0.000 0.743 869 E HN 0.254 nan 8.360 nan 0.000 0.453 870 A N 0.815 123.736 122.820 0.168 0.000 1.897 870 A HA -0.068 4.186 4.320 -0.110 0.000 0.215 870 A C 2.370 180.095 177.584 0.234 0.000 1.181 870 A CA 1.017 53.203 52.037 0.249 0.000 0.620 870 A CB -0.516 18.675 19.000 0.318 0.000 0.821 870 A HN 0.272 nan 8.150 nan 0.000 0.443 871 I N -0.505 120.162 120.570 0.161 0.000 2.179 871 I HA -0.265 3.839 4.170 -0.110 0.000 0.242 871 I C 2.542 178.527 176.117 -0.219 0.000 1.088 871 I CA 1.772 63.038 61.300 -0.057 0.000 1.357 871 I CB -0.323 37.676 38.000 -0.002 0.000 1.051 871 I HN 0.514 nan 8.210 nan 0.000 0.409 872 E N 0.624 120.637 120.200 -0.312 0.000 2.049 872 E HA -0.255 4.029 4.350 -0.110 0.000 0.198 872 E C 2.106 178.610 176.600 -0.159 0.000 1.007 872 E CA 2.227 58.445 56.400 -0.303 0.000 0.809 872 E CB -0.003 29.517 29.700 -0.300 0.000 0.749 872 E HN 0.400 nan 8.360 nan 0.000 0.450 873 T N 0.666 115.179 114.554 -0.068 0.000 2.684 873 T HA -0.195 4.089 4.350 -0.110 0.000 0.267 873 T C 1.404 176.086 174.700 -0.030 0.000 1.036 873 T CA 1.491 63.582 62.100 -0.015 0.000 1.148 873 T CB -0.506 68.396 68.868 0.056 0.000 0.863 873 T HN 0.276 nan 8.240 nan 0.000 0.436 874 F N 1.745 121.549 119.950 -0.244 0.000 2.075 874 F HA -0.030 4.430 4.527 -0.111 0.000 0.297 874 F C 2.019 177.647 175.800 -0.288 0.000 1.113 874 F CA 0.888 58.679 58.000 -0.347 0.000 1.218 874 F CB -0.677 37.803 39.000 -0.866 0.000 0.984 874 F HN 0.096 nan 8.300 nan 0.000 0.472 875 I N 0.479 120.702 120.570 -0.578 0.000 2.208 875 I HA -0.282 3.822 4.170 -0.110 0.000 0.245 875 I C 2.758 178.649 176.117 -0.375 0.000 1.097 875 I CA 1.508 62.467 61.300 -0.569 0.000 1.363 875 I CB -1.461 36.315 38.000 -0.374 0.000 1.051 875 I HN 0.362 nan 8.210 nan 0.000 0.413 876 G N 0.399 109.046 108.800 -0.256 0.000 2.440 876 G HA2 -0.251 3.644 3.960 -0.110 0.000 0.218 876 G HA3 -0.251 3.644 3.960 -0.110 0.000 0.218 876 G C 1.526 176.335 174.900 -0.151 0.000 1.154 876 G CA 0.723 45.726 45.100 -0.163 0.000 0.767 876 G HN 0.441 nan 8.290 nan 0.000 0.552 877 E N -0.224 119.869 120.200 -0.178 0.000 2.106 877 E HA -0.040 4.244 4.350 -0.110 0.000 0.192 877 E C 2.522 179.010 176.600 -0.187 0.000 0.984 877 E CA 0.288 56.599 56.400 -0.147 0.000 0.806 877 E CB -0.034 29.608 29.700 -0.095 0.000 0.750 877 E HN 0.291 nan 8.360 nan 0.000 0.458 878 I N 1.226 121.608 120.570 -0.313 0.000 2.179 878 I HA -0.246 3.858 4.170 -0.110 0.000 0.242 878 I C 2.373 178.506 176.117 0.027 0.000 1.088 878 I CA 1.274 62.427 61.300 -0.245 0.000 1.357 878 I CB -0.802 36.907 38.000 -0.486 0.000 1.051 878 I HN 0.153 nan 8.210 nan 0.000 0.409 879 I N 1.024 121.584 120.570 -0.018 0.000 2.163 879 I HA -0.301 3.804 4.170 -0.110 0.000 0.243 879 I C 2.634 178.849 176.117 0.164 0.000 1.085 879 I CA 1.568 62.949 61.300 0.135 0.000 1.347 879 I CB -0.479 37.502 38.000 -0.032 0.000 1.044 879 I HN 0.132 nan 8.210 nan 0.000 0.408 880 A N 0.531 123.363 122.820 0.019 0.000 2.070 880 A HA -0.126 4.129 4.320 -0.110 0.000 0.220 880 A C 2.243 179.785 177.584 -0.070 0.000 1.159 880 A CA 1.273 53.306 52.037 -0.006 0.000 0.656 880 A CB -0.744 18.231 19.000 -0.042 0.000 0.800 880 A HN 0.427 nan 8.150 nan 0.000 0.453 881 I N -2.197 118.275 120.570 -0.162 0.000 2.286 881 I HA -0.187 3.917 4.170 -0.110 0.000 0.245 881 I C 1.948 177.726 176.117 -0.564 0.000 1.104 881 I CA 1.315 62.349 61.300 -0.444 0.000 1.397 881 I CB -0.189 37.361 38.000 -0.751 0.000 1.072 881 I HN 0.355 nan 8.210 nan 0.000 0.417 882 F N -1.254 118.638 119.950 -0.096 0.000 2.505 882 F HA 0.113 4.575 4.527 -0.108 0.000 0.289 882 F C 0.253 175.858 175.800 -0.324 0.000 1.101 882 F CA -0.075 57.774 58.000 -0.252 0.000 1.446 882 F CB 0.052 38.830 39.000 -0.370 0.000 1.123 882 F HN -0.160 nan 8.300 nan 0.000 0.564 883 Y N 1.218 121.571 120.300 0.089 0.000 2.356 883 Y HA 0.304 4.788 4.550 -0.111 0.000 0.334 883 Y C 1.003 176.924 175.900 0.035 0.000 0.958 883 Y CA -1.186 56.962 58.100 0.079 0.000 1.196 883 Y CB 0.883 39.381 38.460 0.063 0.000 1.137 883 Y HN -0.213 nan 8.280 nan 0.000 0.485 884 K N 2.040 122.537 120.400 0.162 0.000 2.418 884 K HA 0.051 4.305 4.320 -0.110 0.000 0.195 884 K C -0.321 176.328 176.600 0.082 0.000 1.035 884 K CA 0.467 56.804 56.287 0.084 0.000 1.003 884 K CB -0.199 32.332 32.500 0.051 0.000 0.793 884 K HN 0.852 nan 8.250 nan 0.000 0.494 885 N N -1.641 117.129 118.700 0.117 0.000 3.356 885 N HA 0.029 4.703 4.740 -0.110 0.000 0.246 885 N C -0.452 175.109 175.510 0.085 0.000 1.480 885 N CA -0.585 52.510 53.050 0.075 0.000 0.877 885 N CB -0.033 38.484 38.487 0.051 0.000 1.431 885 N HN -0.392 nan 8.380 nan 0.000 0.500 886 D N -0.632 119.797 120.400 0.049 0.000 2.219 886 D HA -0.086 4.488 4.640 -0.110 0.000 0.205 886 D C 0.674 177.008 176.300 0.056 0.000 0.970 886 D CA 1.178 55.203 54.000 0.041 0.000 0.851 886 D CB -0.144 40.672 40.800 0.028 0.000 0.943 886 D HN 0.698 nan 8.370 nan 0.000 0.488 887 D N 0.271 120.698 120.400 0.045 0.000 2.149 887 D HA -0.122 4.452 4.640 -0.110 0.000 0.201 887 D C 1.285 177.597 176.300 0.020 0.000 0.972 887 D CA 0.816 54.822 54.000 0.011 0.000 0.835 887 D CB 0.168 40.953 40.800 -0.026 0.000 0.966 887 D HN -0.098 nan 8.370 nan 0.000 0.476 888 D N -0.514 119.963 120.400 0.127 0.000 2.149 888 D HA -0.127 4.447 4.640 -0.110 0.000 0.198 888 D C 2.209 178.851 176.300 0.568 0.000 0.990 888 D CA 0.620 54.842 54.000 0.371 0.000 0.839 888 D CB -0.232 40.859 40.800 0.485 0.000 0.948 888 D HN 0.153 nan 8.370 nan 0.000 0.460 889 V N 0.866 121.006 119.914 0.377 0.000 2.261 889 V HA -0.232 3.822 4.120 -0.110 0.000 0.246 889 V C 2.349 178.583 176.094 0.233 0.000 1.047 889 V CA 1.551 63.977 62.300 0.210 0.000 1.015 889 V CB -0.353 31.430 31.823 -0.067 0.000 0.642 889 V HN 0.169 nan 8.190 nan 0.000 0.446 890 K N -0.166 120.323 120.400 0.147 0.000 2.063 890 K HA -0.160 4.094 4.320 -0.110 0.000 0.208 890 K C 2.300 178.960 176.600 0.099 0.000 1.048 890 K CA 1.511 57.863 56.287 0.108 0.000 0.928 890 K CB -0.223 32.304 32.500 0.046 0.000 0.713 890 K HN 0.321 nan 8.250 nan 0.000 0.442 891 R N 0.811 121.336 120.500 0.041 0.000 2.307 891 R HA -0.043 4.231 4.340 -0.110 0.000 0.199 891 R C 0.128 176.569 176.300 0.235 0.000 1.000 891 R CA 0.226 56.295 56.100 -0.051 0.000 1.023 891 R CB 0.026 30.013 30.300 -0.521 0.000 0.908 891 R HN 0.097 nan 8.270 nan 0.000 0.473 892 D N 0.300 120.977 120.400 0.462 0.000 2.402 892 D HA -0.035 4.539 4.640 -0.110 0.000 0.235 892 D C 0.455 176.962 176.300 0.344 0.000 1.226 892 D CA 0.045 54.373 54.000 0.546 0.000 0.918 892 D CB 0.359 41.527 40.800 0.613 0.000 1.043 892 D HN -0.059 nan 8.370 nan 0.000 0.506 893 N N 3.113 121.978 118.700 0.276 0.000 2.364 893 N HA -0.147 4.527 4.740 -0.110 0.000 0.183 893 N C 1.195 176.819 175.510 0.191 0.000 1.022 893 N CA 1.138 54.305 53.050 0.194 0.000 0.883 893 N CB 0.297 38.870 38.487 0.143 0.000 0.965 893 N HN 0.468 nan 8.380 nan 0.000 0.438 894 E N -0.263 120.052 120.200 0.192 0.000 2.028 894 E HA -0.127 4.157 4.350 -0.110 0.000 0.190 894 E C 1.682 178.370 176.600 0.146 0.000 0.984 894 E CA 0.800 57.276 56.400 0.126 0.000 0.800 894 E CB -0.055 29.678 29.700 0.054 0.000 0.758 894 E HN 0.333 nan 8.360 nan 0.000 0.448 895 I N 1.503 122.183 120.570 0.184 0.000 2.361 895 I HA -0.261 3.843 4.170 -0.110 0.000 0.251 895 I C 2.085 178.492 176.117 0.484 0.000 1.133 895 I CA 1.312 62.776 61.300 0.274 0.000 1.413 895 I CB -0.007 38.151 38.000 0.263 0.000 1.073 895 I HN 0.051 nan 8.210 nan 0.000 0.424 896 Q N -0.408 119.610 119.800 0.364 0.000 2.062 896 Q HA -0.069 4.205 4.340 -0.110 0.000 0.196 896 Q C 2.398 178.561 176.000 0.272 0.000 0.967 896 Q CA 1.660 57.641 55.803 0.296 0.000 0.832 896 Q CB -0.627 28.226 28.738 0.192 0.000 0.899 896 Q HN 0.440 nan 8.270 nan 0.000 0.442 897 S N 0.862 116.716 115.700 0.257 0.000 2.387 897 S HA -0.181 4.223 4.470 -0.110 0.000 0.230 897 S C 1.368 176.160 174.600 0.318 0.000 1.035 897 S CA 1.301 59.665 58.200 0.273 0.000 1.014 897 S CB -0.435 62.902 63.200 0.229 0.000 0.836 897 S HN 0.535 nan 8.310 nan 0.000 0.466 898 W N 1.614 122.999 121.300 0.142 0.000 2.378 898 W HA -0.057 4.536 4.660 -0.113 0.000 0.313 898 W C 1.862 178.451 176.519 0.118 0.000 1.197 898 W CA 0.828 58.250 57.345 0.128 0.000 1.304 898 W CB -0.467 29.061 29.460 0.112 0.000 1.148 898 W HN 0.218 nan 8.180 nan 0.000 0.494 899 I N -0.247 120.454 120.570 0.218 0.000 2.500 899 I HA -0.174 3.930 4.170 -0.110 0.000 0.252 899 I C 2.270 178.277 176.117 -0.185 0.000 1.142 899 I CA 1.363 62.542 61.300 -0.202 0.000 1.451 899 I CB -1.009 36.835 38.000 -0.261 0.000 1.093 899 I HN 0.188 nan 8.210 nan 0.000 0.430 900 Y N 0.978 121.210 120.300 -0.114 0.000 2.181 900 Y HA -0.274 4.210 4.550 -0.110 0.000 0.288 900 Y C 2.278 178.149 175.900 -0.048 0.000 1.146 900 Y CA 2.112 60.167 58.100 -0.076 0.000 1.164 900 Y CB -0.495 37.946 38.460 -0.032 0.000 0.982 900 Y HN 0.245 nan 8.280 nan 0.000 0.515 901 D N -0.532 119.839 120.400 -0.049 0.000 2.123 901 D HA -0.171 4.403 4.640 -0.110 0.000 0.196 901 D C 2.203 178.352 176.300 -0.252 0.000 0.992 901 D CA 1.639 55.597 54.000 -0.070 0.000 0.833 901 D CB -0.160 40.751 40.800 0.185 0.000 0.954 901 D HN 0.278 nan 8.370 nan 0.000 0.455 902 V N -0.213 119.465 119.914 -0.393 0.000 2.427 902 V HA -0.210 3.844 4.120 -0.110 0.000 0.248 902 V C 2.320 178.090 176.094 -0.540 0.000 1.051 902 V CA 2.006 63.934 62.300 -0.620 0.000 1.048 902 V CB -0.748 30.330 31.823 -1.242 0.000 0.666 902 V HN 0.347 nan 8.190 nan 0.000 0.456 903 H N 0.698 119.447 119.070 -0.535 0.000 2.321 903 H HA -0.193 4.297 4.556 -0.110 0.000 0.300 903 H C 2.257 177.333 175.328 -0.420 0.000 1.087 903 H CA 2.337 58.140 56.048 -0.408 0.000 1.319 903 H CB 0.075 29.637 29.762 -0.333 0.000 1.379 903 H HN 0.230 nan 8.280 nan 0.000 0.501 904 K N 0.033 120.086 120.400 -0.578 0.000 2.044 904 K HA 0.054 4.308 4.320 -0.110 0.000 0.204 904 K C 1.163 177.451 176.600 -0.520 0.000 1.049 904 K CA 1.859 57.789 56.287 -0.595 0.000 0.945 904 K CB 0.204 32.215 32.500 -0.815 0.000 0.724 904 K HN 0.502 nan 8.250 nan 0.000 0.440 905 N N -1.792 116.532 118.700 -0.626 0.000 2.171 905 N HA 0.164 4.838 4.740 -0.110 0.000 0.212 905 N C 0.858 175.692 175.510 -1.126 0.000 1.184 905 N CA 0.236 52.785 53.050 -0.835 0.000 0.888 905 N CB 1.288 39.139 38.487 -1.060 0.000 1.038 905 N HN 0.204 nan 8.380 nan 0.000 0.517 906 G N -0.033 108.267 108.800 -0.833 0.000 2.805 906 G HA2 -0.008 3.886 3.960 -0.110 0.000 0.214 906 G HA3 -0.008 3.886 3.960 -0.110 0.000 0.214 906 G C -0.528 174.421 174.900 0.081 0.000 1.220 906 G CA -0.158 44.598 45.100 -0.573 0.000 0.854 906 G HN 0.135 nan 8.290 nan 0.000 0.623 907 W N 3.246 124.415 121.300 -0.217 0.000 1.928 907 W HA 0.596 5.189 4.660 -0.112 0.000 0.341 907 W C -0.040 176.464 176.519 -0.024 0.000 0.789 907 W CA -1.798 55.556 57.345 0.015 0.000 1.680 907 W CB -0.501 28.965 29.460 0.010 0.000 1.882 907 W HN -0.003 nan 8.180 nan 0.000 0.315 908 R N 0.720 121.276 120.500 0.094 0.000 2.401 908 R HA 0.209 4.484 4.340 -0.110 0.000 0.299 908 R C 0.172 176.415 176.300 -0.095 0.000 1.064 908 R CA -0.360 55.669 56.100 -0.118 0.000 1.000 908 R CB 0.869 31.004 30.300 -0.275 0.000 0.973 908 R HN -0.092 nan 8.270 nan 0.000 0.438 909 V N 4.908 124.729 119.914 -0.155 0.000 2.266 909 V HA -0.025 4.029 4.120 -0.110 0.000 0.240 909 V C 0.345 176.237 176.094 -0.336 0.000 1.225 909 V CA 0.020 62.160 62.300 -0.267 0.000 1.237 909 V CB -0.864 30.811 31.823 -0.247 0.000 1.343 909 V HN 0.625 nan 8.190 nan 0.000 0.496 910 N N 4.813 123.154 118.700 -0.597 0.000 2.434 910 N HA 0.413 5.087 4.740 -0.110 0.000 0.266 910 N C -2.537 172.871 175.510 -0.171 0.000 1.223 910 N CA -1.958 50.852 53.050 -0.401 0.000 0.972 910 N CB 0.658 38.896 38.487 -0.416 0.000 1.207 910 N HN 0.196 nan 8.380 nan 0.000 0.525 911 P HA 0.075 nan 4.420 nan 0.000 0.262 911 P C 0.602 177.969 177.300 0.112 0.000 1.182 911 P CA 0.857 63.965 63.100 0.013 0.000 0.761 911 P CB 0.255 31.954 31.700 -0.001 0.000 0.795 912 G N 1.178 110.026 108.800 0.081 0.000 2.195 912 G HA2 -0.198 3.697 3.960 -0.110 0.000 0.246 912 G HA3 -0.198 3.697 3.960 -0.110 0.000 0.246 912 G C 0.160 175.086 174.900 0.044 0.000 0.984 912 G CA -0.348 44.791 45.100 0.066 0.000 0.633 912 G HN 0.655 nan 8.290 nan 0.000 0.525 913 H N 0.898 119.913 119.070 -0.091 0.000 2.482 913 H HA 0.381 4.871 4.556 -0.110 0.000 0.344 913 H C 0.417 175.608 175.328 -0.229 0.000 1.151 913 H CA -0.504 55.452 56.048 -0.154 0.000 1.300 913 H CB 0.882 30.538 29.762 -0.177 0.000 1.494 913 H HN 0.243 nan 8.280 nan 0.000 0.542 914 Q N 1.062 120.751 119.800 -0.186 0.000 2.407 914 Q HA 0.015 4.289 4.340 -0.110 0.000 0.214 914 Q C -0.227 175.540 176.000 -0.388 0.000 1.043 914 Q CA -0.293 55.384 55.803 -0.210 0.000 0.983 914 Q CB 0.639 29.287 28.738 -0.150 0.000 1.211 914 Q HN 0.612 nan 8.270 nan 0.000 0.564 915 D N -0.248 120.003 120.400 -0.248 0.000 2.424 915 D HA -0.058 4.516 4.640 -0.110 0.000 0.244 915 D C 0.400 176.563 176.300 -0.227 0.000 1.134 915 D CA 0.308 54.170 54.000 -0.229 0.000 0.881 915 D CB 0.504 41.260 40.800 -0.073 0.000 1.191 915 D HN 0.322 nan 8.370 nan 0.000 0.445 916 H N 3.054 122.148 119.070 0.041 0.000 2.539 916 H HA 0.211 4.701 4.556 -0.109 0.000 0.269 916 H C 1.486 176.968 175.328 0.257 0.000 0.980 916 H CA 0.641 56.774 56.048 0.141 0.000 1.152 916 H CB 0.548 30.435 29.762 0.208 0.000 1.407 916 H HN 0.690 nan 8.280 nan 0.000 0.564 917 G N 1.128 110.071 108.800 0.239 0.000 2.143 917 G HA2 -0.279 3.615 3.960 -0.110 0.000 0.248 917 G HA3 -0.279 3.615 3.960 -0.110 0.000 0.248 917 G C 0.149 175.160 174.900 0.185 0.000 0.991 917 G CA 0.426 45.648 45.100 0.204 0.000 0.689 917 G HN 0.240 nan 8.290 nan 0.000 0.522 918 V N 1.655 121.674 119.914 0.175 0.000 2.406 918 V HA 0.441 4.495 4.120 -0.110 0.000 0.272 918 V C -1.333 174.817 176.094 0.094 0.000 1.043 918 V CA -1.672 60.660 62.300 0.054 0.000 0.915 918 V CB 1.313 33.074 31.823 -0.105 0.000 0.988 918 V HN 0.158 nan 8.190 nan 0.000 0.466 919 P HA 0.186 nan 4.420 nan 0.000 0.271 919 P C 0.527 177.638 177.300 -0.315 0.000 1.218 919 P CA -0.202 62.804 63.100 -0.157 0.000 0.780 919 P CB 0.943 32.492 31.700 -0.250 0.000 0.901 920 A N 1.793 124.316 122.820 -0.495 0.000 2.119 920 A HA 0.121 4.375 4.320 -0.110 0.000 0.217 920 A C 0.894 178.349 177.584 -0.215 0.000 1.153 920 A CA 1.554 53.254 52.037 -0.563 0.000 0.692 920 A CB -0.595 18.075 19.000 -0.550 0.000 0.799 920 A HN 0.690 nan 8.150 nan 0.000 0.458 921 S N -2.699 112.851 115.700 -0.250 0.000 2.643 921 S HA 0.698 5.102 4.470 -0.110 0.000 0.270 921 S C -1.008 173.431 174.600 -0.268 0.000 1.166 921 S CA -0.859 57.224 58.200 -0.196 0.000 0.815 921 S CB 0.486 63.636 63.200 -0.083 0.000 1.139 921 S HN 0.124 nan 8.310 nan 0.000 0.472 922 F N 1.414 121.403 119.950 0.064 0.000 2.443 922 F HA 0.514 4.974 4.527 -0.111 0.000 0.335 922 F C 1.545 177.362 175.800 0.027 0.000 1.104 922 F CA -0.665 57.366 58.000 0.052 0.000 1.013 922 F CB 1.918 40.953 39.000 0.057 0.000 1.136 922 F HN 0.710 nan 8.300 nan 0.000 0.470 923 E N 0.645 120.980 120.200 0.224 0.000 2.290 923 E HA 0.074 4.358 4.350 -0.110 0.000 0.197 923 E C 0.131 176.787 176.600 0.092 0.000 0.948 923 E CA 0.368 56.840 56.400 0.120 0.000 0.895 923 E CB 0.579 30.329 29.700 0.083 0.000 0.865 923 E HN 0.487 nan 8.360 nan 0.000 0.486 924 S N -0.247 115.509 115.700 0.093 0.000 2.595 924 S HA 0.466 4.870 4.470 -0.110 0.000 0.281 924 S C 0.558 175.122 174.600 -0.059 0.000 1.117 924 S CA -0.890 57.325 58.200 0.025 0.000 0.873 924 S CB 2.538 65.759 63.200 0.034 0.000 1.108 924 S HN -0.093 nan 8.310 nan 0.000 0.477 925 R N 0.914 121.357 120.500 -0.096 0.000 2.127 925 R HA -0.083 4.191 4.340 -0.110 0.000 0.238 925 R C 1.616 177.829 176.300 -0.145 0.000 1.134 925 R CA 1.748 57.743 56.100 -0.176 0.000 0.975 925 R CB -0.313 29.923 30.300 -0.107 0.000 0.865 925 R HN 0.797 nan 8.270 nan 0.000 0.447 926 E N 0.739 120.902 120.200 -0.061 0.000 2.158 926 E HA -0.196 4.088 4.350 -0.110 0.000 0.191 926 E C 1.780 178.386 176.600 0.008 0.000 0.982 926 E CA 0.675 57.063 56.400 -0.021 0.000 0.823 926 E CB -0.213 29.497 29.700 0.017 0.000 0.766 926 E HN 0.439 nan 8.360 nan 0.000 0.468 927 Q N 0.566 120.385 119.800 0.032 0.000 2.083 927 Q HA -0.095 4.179 4.340 -0.110 0.000 0.198 927 Q C 2.287 178.315 176.000 0.047 0.000 0.969 927 Q CA 0.615 56.498 55.803 0.135 0.000 0.838 927 Q CB 0.023 28.917 28.738 0.261 0.000 0.900 927 Q HN 0.220 nan 8.270 nan 0.000 0.436 928 L N 1.512 122.538 121.223 -0.329 0.000 2.012 928 L HA -0.205 4.069 4.340 -0.110 0.000 0.210 928 L C 2.329 178.986 176.870 -0.356 0.000 1.073 928 L CA 2.094 56.463 54.840 -0.786 0.000 0.748 928 L CB -0.574 40.928 42.059 -0.929 0.000 0.891 928 L HN 0.122 nan 8.230 nan 0.000 0.431 929 K N -0.515 119.744 120.400 -0.235 0.000 2.044 929 K HA -0.289 3.965 4.320 -0.110 0.000 0.210 929 K C 2.184 178.734 176.600 -0.084 0.000 1.049 929 K CA 2.076 58.267 56.287 -0.160 0.000 0.927 929 K CB -0.299 32.129 32.500 -0.121 0.000 0.713 929 K HN 0.575 nan 8.250 nan 0.000 0.443 930 E N -0.083 120.134 120.200 0.028 0.000 2.051 930 E HA -0.162 4.122 4.350 -0.110 0.000 0.192 930 E C 1.851 178.548 176.600 0.161 0.000 0.991 930 E CA 1.404 57.899 56.400 0.158 0.000 0.799 930 E CB 0.128 29.992 29.700 0.273 0.000 0.748 930 E HN 0.187 nan 8.360 nan 0.000 0.449 931 V N 1.239 121.260 119.914 0.179 0.000 2.427 931 V HA -0.227 3.827 4.120 -0.110 0.000 0.248 931 V C 2.409 178.551 176.094 0.080 0.000 1.051 931 V CA 1.259 63.684 62.300 0.208 0.000 1.048 931 V CB -0.346 31.759 31.823 0.469 0.000 0.666 931 V HN 0.324 nan 8.190 nan 0.000 0.456 932 L N -0.436 120.792 121.223 0.008 0.000 2.056 932 L HA -0.137 4.137 4.340 -0.110 0.000 0.207 932 L C 2.640 179.434 176.870 -0.127 0.000 1.078 932 L CA 1.772 56.578 54.840 -0.058 0.000 0.749 932 L CB -0.890 41.076 42.059 -0.154 0.000 0.901 932 L HN 0.341 nan 8.230 nan 0.000 0.433 933 T N -0.985 113.440 114.554 -0.216 0.000 2.708 933 T HA -0.180 4.104 4.350 -0.110 0.000 0.266 933 T C 2.151 176.615 174.700 -0.393 0.000 1.037 933 T CA 1.685 63.516 62.100 -0.448 0.000 1.146 933 T CB -0.168 68.227 68.868 -0.789 0.000 0.865 933 T HN 0.250 nan 8.240 nan 0.000 0.435 934 S N 1.305 116.932 115.700 -0.122 0.000 2.359 934 S HA -0.085 4.319 4.470 -0.110 0.000 0.224 934 S C 1.951 176.650 174.600 0.164 0.000 1.035 934 S CA 0.967 59.304 58.200 0.229 0.000 1.018 934 S CB -0.558 62.834 63.200 0.320 0.000 0.876 934 S HN 0.268 nan 8.310 nan 0.000 0.448 935 L N 1.592 122.785 121.223 -0.050 0.000 2.017 935 L HA -0.024 4.250 4.340 -0.110 0.000 0.208 935 L C 2.192 179.063 176.870 0.002 0.000 1.073 935 L CA 1.613 56.345 54.840 -0.180 0.000 0.745 935 L CB -0.617 41.284 42.059 -0.263 0.000 0.894 935 L HN 0.140 nan 8.230 nan 0.000 0.432 936 V N -0.943 119.007 119.914 0.060 0.000 2.379 936 V HA -0.255 3.799 4.120 -0.110 0.000 0.245 936 V C 2.278 178.450 176.094 0.129 0.000 1.044 936 V CA 1.745 64.076 62.300 0.050 0.000 1.036 936 V CB -0.770 30.930 31.823 -0.205 0.000 0.664 936 V HN 0.509 nan 8.190 nan 0.000 0.453 937 F N 1.419 121.376 119.950 0.011 0.000 2.161 937 F HA -0.233 4.228 4.527 -0.109 0.000 0.300 937 F C 2.349 178.297 175.800 0.247 0.000 1.089 937 F CA 2.279 60.364 58.000 0.142 0.000 1.282 937 F CB -0.380 38.741 39.000 0.202 0.000 1.010 937 F HN 0.115 nan 8.300 nan 0.000 0.485 938 T N 0.413 115.187 114.554 0.367 0.000 2.737 938 T HA -0.159 4.125 4.350 -0.110 0.000 0.265 938 T C 1.840 176.662 174.700 0.203 0.000 1.038 938 T CA 1.652 63.935 62.100 0.305 0.000 1.144 938 T CB -0.775 68.288 68.868 0.325 0.000 0.866 938 T HN 0.265 nan 8.240 nan 0.000 0.434 939 F N 1.849 121.913 119.950 0.189 0.000 2.091 939 F HA -0.218 4.244 4.527 -0.109 0.000 0.299 939 F C 2.829 178.739 175.800 0.184 0.000 1.103 939 F CA 1.302 59.397 58.000 0.157 0.000 1.228 939 F CB -0.154 38.949 39.000 0.171 0.000 0.984 939 F HN 0.259 nan 8.300 nan 0.000 0.477 940 S N -1.275 114.646 115.700 0.367 0.000 2.338 940 S HA -0.102 4.302 4.470 -0.110 0.000 0.197 940 S C 1.988 176.701 174.600 0.189 0.000 0.990 940 S CA 0.702 59.086 58.200 0.307 0.000 0.920 940 S CB -0.904 62.476 63.200 0.300 0.000 0.903 940 S HN 0.325 nan 8.310 nan 0.000 0.542 941 C N 1.758 121.004 119.300 -0.090 0.000 2.453 941 C HA 0.056 4.450 4.460 -0.110 0.000 0.277 941 C C 3.070 177.970 174.990 -0.149 0.000 1.262 941 C CA 1.231 60.095 59.018 -0.256 0.000 1.718 941 C CB -1.378 25.890 27.740 -0.787 0.000 2.031 941 C HN 0.797 nan 8.230 nan 0.000 0.480 942 Q N 0.366 120.029 119.800 -0.228 0.000 2.079 942 Q HA -0.175 4.099 4.340 -0.110 0.000 0.200 942 Q C 2.224 178.371 176.000 0.246 0.000 0.974 942 Q CA 1.747 57.646 55.803 0.160 0.000 0.840 942 Q CB -0.725 28.212 28.738 0.331 0.000 0.898 942 Q HN 0.801 nan 8.270 nan 0.000 0.430 943 H N -0.473 118.702 119.070 0.175 0.000 2.387 943 H HA -0.101 4.390 4.556 -0.108 0.000 0.299 943 H C 1.587 177.016 175.328 0.170 0.000 1.090 943 H CA 1.609 57.770 56.048 0.189 0.000 1.332 943 H CB 0.038 29.907 29.762 0.180 0.000 1.386 943 H HN 0.403 nan 8.280 nan 0.000 0.516 944 A N 1.428 124.408 122.820 0.267 0.000 1.865 944 A HA -0.128 4.126 4.320 -0.110 0.000 0.217 944 A C 2.773 180.488 177.584 0.218 0.000 1.191 944 A CA 2.083 54.365 52.037 0.409 0.000 0.623 944 A CB -1.280 18.015 19.000 0.491 0.000 0.826 944 A HN 0.581 nan 8.150 nan 0.000 0.444 945 A N -0.384 122.575 122.820 0.232 0.000 1.940 945 A HA -0.042 4.212 4.320 -0.110 0.000 0.219 945 A C 2.190 179.788 177.584 0.023 0.000 1.176 945 A CA 2.430 54.618 52.037 0.252 0.000 0.631 945 A CB -1.006 18.307 19.000 0.522 0.000 0.814 945 A HN 1.294 nan 8.150 nan 0.000 0.446 946 V N -3.176 116.724 119.914 -0.024 0.000 3.650 946 V HA 0.116 4.170 4.120 -0.110 0.000 0.271 946 V C 1.416 177.367 176.094 -0.238 0.000 1.281 946 V CA 1.265 63.528 62.300 -0.060 0.000 1.120 946 V CB -0.464 31.420 31.823 0.101 0.000 0.856 946 V HN 0.610 nan 8.190 nan 0.000 0.443 947 N N 0.601 118.992 118.700 -0.515 0.000 2.513 947 N HA 0.105 4.779 4.740 -0.110 0.000 0.196 947 N C 1.563 176.617 175.510 -0.760 0.000 1.041 947 N CA 0.947 53.455 53.050 -0.904 0.000 0.916 947 N CB 0.068 37.646 38.487 -1.514 0.000 1.172 947 N HN 0.501 nan 8.380 nan 0.000 0.444 948 F N 1.798 121.553 119.950 -0.325 0.000 2.699 948 F HA 0.046 4.506 4.527 -0.111 0.000 0.298 948 F C 2.372 177.911 175.800 -0.435 0.000 1.154 948 F CA 0.426 58.262 58.000 -0.274 0.000 1.457 948 F CB 0.082 39.044 39.000 -0.064 0.000 1.106 948 F HN 0.134 nan 8.300 nan 0.000 0.585 949 S N -0.837 114.475 115.700 -0.646 0.000 2.603 949 S HA -0.090 4.314 4.470 -0.110 0.000 0.220 949 S C 1.548 175.858 174.600 -0.484 0.000 0.967 949 S CA 0.161 57.692 58.200 -1.116 0.000 0.920 949 S CB -0.350 62.180 63.200 -1.117 0.000 0.773 949 S HN 0.478 nan 8.310 nan 0.000 0.529 950 Q N 1.042 120.661 119.800 -0.302 0.000 2.230 950 Q HA 0.009 4.283 4.340 -0.110 0.000 0.202 950 Q C 2.125 178.132 176.000 0.012 0.000 0.963 950 Q CA 0.767 56.508 55.803 -0.103 0.000 0.866 950 Q CB -0.141 28.620 28.738 0.038 0.000 0.931 950 Q HN 0.382 nan 8.270 nan 0.000 0.452 951 K N 1.637 122.031 120.400 -0.009 0.000 1.991 951 K HA -0.203 4.051 4.320 -0.110 0.000 0.212 951 K C 1.309 177.914 176.600 0.008 0.000 1.049 951 K CA 1.738 58.040 56.287 0.026 0.000 0.932 951 K CB -0.249 32.286 32.500 0.059 0.000 0.717 951 K HN 0.159 nan 8.250 nan 0.000 0.441 952 D N -0.678 119.737 120.400 0.024 0.000 2.144 952 D HA -0.160 4.414 4.640 -0.110 0.000 0.199 952 D C 2.034 178.330 176.300 -0.007 0.000 0.984 952 D CA 1.159 55.179 54.000 0.033 0.000 0.834 952 D CB -0.164 40.731 40.800 0.157 0.000 0.955 952 D HN 0.485 nan 8.370 nan 0.000 0.465 953 H N -1.064 117.901 119.070 -0.174 0.000 2.317 953 H HA -0.056 4.434 4.556 -0.110 0.000 0.304 953 H C 1.245 176.377 175.328 -0.327 0.000 1.067 953 H CA 1.522 57.364 56.048 -0.343 0.000 1.352 953 H CB 0.057 29.430 29.762 -0.648 0.000 1.398 953 H HN 0.135 nan 8.280 nan 0.000 0.510 954 Y N -1.106 119.221 120.300 0.044 0.000 2.449 954 Y HA 0.204 4.688 4.550 -0.110 0.000 0.254 954 Y C 2.436 178.279 175.900 -0.094 0.000 1.140 954 Y CA -0.051 58.027 58.100 -0.037 0.000 1.272 954 Y CB 0.587 39.038 38.460 -0.015 0.000 1.114 954 Y HN 0.320 nan 8.280 nan 0.000 0.525 955 G N 0.859 109.691 108.800 0.054 0.000 2.440 955 G HA2 -0.304 3.590 3.960 -0.110 0.000 0.218 955 G HA3 -0.304 3.590 3.960 -0.110 0.000 0.218 955 G C 0.231 175.178 174.900 0.078 0.000 1.154 955 G CA 0.392 45.485 45.100 -0.011 0.000 0.767 955 G HN 0.280 nan 8.290 nan 0.000 0.552 956 F N 2.246 122.117 119.950 -0.132 0.000 2.335 956 F HA 0.443 4.904 4.527 -0.110 0.000 0.365 956 F C 1.521 177.167 175.800 -0.257 0.000 1.122 956 F CA -0.731 57.189 58.000 -0.133 0.000 1.151 956 F CB 0.778 39.647 39.000 -0.218 0.000 1.282 956 F HN -0.065 nan 8.300 nan 0.000 0.513 957 T N 5.948 120.073 114.554 -0.714 0.000 2.737 957 T HA -0.121 4.163 4.350 -0.110 0.000 0.269 957 T C -0.985 173.139 174.700 -0.960 0.000 1.040 957 T CA 1.786 63.467 62.100 -0.699 0.000 1.142 957 T CB -0.740 67.774 68.868 -0.590 0.000 0.861 957 T HN 0.425 nan 8.240 nan 0.000 0.456 958 P HA 0.024 nan 4.420 nan 0.000 0.229 958 P C 1.289 178.277 177.300 -0.520 0.000 1.160 958 P CA 0.494 62.830 63.100 -1.274 0.000 0.777 958 P CB -0.191 30.419 31.700 -1.815 0.000 0.814 959 N N 0.353 118.832 118.700 -0.369 0.000 2.364 959 N HA -0.111 4.563 4.740 -0.110 0.000 0.183 959 N C 0.054 175.525 175.510 -0.065 0.000 1.022 959 N CA 1.067 54.143 53.050 0.043 0.000 0.883 959 N CB 0.114 38.638 38.487 0.062 0.000 0.965 959 N HN -0.068 nan 8.380 nan 0.000 0.438 960 A N 0.907 123.641 122.820 -0.145 0.000 3.068 960 A HA 0.283 4.537 4.320 -0.110 0.000 0.269 960 A C -2.794 174.807 177.584 0.029 0.000 1.259 960 A CA -0.883 51.117 52.037 -0.062 0.000 0.938 960 A CB 0.600 19.444 19.000 -0.260 0.000 1.433 960 A HN 0.076 nan 8.150 nan 0.000 0.664 961 P HA 0.455 nan 4.420 nan 0.000 0.274 961 P C 0.556 177.793 177.300 -0.106 0.000 1.231 961 P CA 0.344 63.320 63.100 -0.206 0.000 0.790 961 P CB 1.843 33.314 31.700 -0.381 0.000 0.951 962 A N 2.792 125.524 122.820 -0.146 0.000 2.456 962 A HA 0.355 4.609 4.320 -0.110 0.000 0.237 962 A C 0.677 178.182 177.584 -0.131 0.000 1.217 962 A CA 0.119 52.084 52.037 -0.119 0.000 0.962 962 A CB 0.107 19.000 19.000 -0.178 0.000 1.079 962 A HN 0.475 nan 8.150 nan 0.000 0.536 963 I N 0.874 121.346 120.570 -0.163 0.000 2.545 963 I HA 0.450 4.554 4.170 -0.110 0.000 0.292 963 I C -1.249 174.754 176.117 -0.190 0.000 1.040 963 I CA -0.685 60.526 61.300 -0.147 0.000 1.068 963 I CB 2.185 40.092 38.000 -0.154 0.000 1.251 963 I HN 0.022 nan 8.210 nan 0.000 0.424 964 L N 5.478 126.607 121.223 -0.156 0.000 2.381 964 L HA 0.548 4.823 4.340 -0.110 0.000 0.268 964 L C 0.583 177.440 176.870 -0.021 0.000 0.997 964 L CA -0.658 54.053 54.840 -0.215 0.000 0.818 964 L CB 2.363 44.114 42.059 -0.513 0.000 1.310 964 L HN 0.591 nan 8.230 nan 0.000 0.416 965 R N -0.184 120.258 120.500 -0.096 0.000 2.397 965 R HA 0.241 4.515 4.340 -0.110 0.000 0.241 965 R C -0.381 175.788 176.300 -0.217 0.000 0.914 965 R CA -0.125 55.906 56.100 -0.116 0.000 1.071 965 R CB 0.442 30.570 30.300 -0.288 0.000 1.116 965 R HN 0.473 nan 8.270 nan 0.000 0.524 966 H N -0.052 119.023 119.070 0.008 0.000 2.821 966 H HA 0.341 4.831 4.556 -0.110 0.000 0.373 966 H C -2.394 172.562 175.328 -0.621 0.000 1.165 966 H CA -2.722 53.178 56.048 -0.246 0.000 1.154 966 H CB 1.665 31.378 29.762 -0.081 0.000 1.765 966 H HN -0.178 nan 8.280 nan 0.000 0.549 967 P HA 0.049 nan 4.420 nan 0.000 0.271 967 P C -2.446 174.794 177.300 -0.100 0.000 1.238 967 P CA -1.019 61.660 63.100 -0.703 0.000 0.794 967 P CB -0.398 31.021 31.700 -0.468 0.000 0.959 968 P HA 0.263 nan 4.420 nan 0.000 0.276 968 P C -2.282 174.952 177.300 -0.110 0.000 1.252 968 P CA -1.620 61.225 63.100 -0.426 0.000 0.802 968 P CB -1.199 29.987 31.700 -0.856 0.000 1.035 969 P HA 0.187 nan 4.420 nan 0.000 0.275 969 P C 0.485 177.870 177.300 0.142 0.000 1.227 969 P CA -0.116 63.043 63.100 0.099 0.000 0.781 969 P CB 0.607 32.415 31.700 0.181 0.000 0.906 970 K N 1.307 121.776 120.400 0.116 0.000 2.098 970 K HA 0.207 4.461 4.320 -0.110 0.000 0.203 970 K C 1.408 178.077 176.600 0.114 0.000 1.051 970 K CA 1.571 57.918 56.287 0.100 0.000 0.957 970 K CB -0.862 31.676 32.500 0.064 0.000 0.738 970 K HN 0.759 nan 8.250 nan 0.000 0.447 971 K N 1.642 122.122 120.400 0.134 0.000 2.185 971 K HA 0.530 4.784 4.320 -0.110 0.000 0.240 971 K C -0.119 176.611 176.600 0.217 0.000 0.983 971 K CA -0.615 55.743 56.287 0.118 0.000 0.873 971 K CB 0.575 33.127 32.500 0.087 0.000 1.118 971 K HN 0.444 nan 8.250 nan 0.000 0.441 972 K N -0.472 120.007 120.400 0.132 0.000 2.120 972 K HA 0.470 4.724 4.320 -0.110 0.000 0.245 972 K C 1.055 177.791 176.600 0.227 0.000 1.024 972 K CA 0.567 56.987 56.287 0.223 0.000 0.906 972 K CB 0.835 33.352 32.500 0.029 0.000 1.051 972 K HN 1.136 nan 8.250 nan 0.000 0.491 973 G N -0.304 108.660 108.800 0.273 0.000 2.175 973 G HA2 -0.401 3.493 3.960 -0.110 0.000 0.265 973 G HA3 -0.401 3.493 3.960 -0.110 0.000 0.265 973 G C 0.866 175.872 174.900 0.177 0.000 0.979 973 G CA 1.209 46.431 45.100 0.203 0.000 0.663 973 G HN 0.755 nan 8.290 nan 0.000 0.533 974 E N -0.838 119.476 120.200 0.189 0.000 2.299 974 E HA 0.635 4.919 4.350 -0.110 0.000 0.193 974 E C 1.522 178.191 176.600 0.115 0.000 0.998 974 E CA 1.544 58.025 56.400 0.135 0.000 0.851 974 E CB -0.069 29.706 29.700 0.126 0.000 0.795 974 E HN 2.062 nan 8.360 nan 0.000 0.492 975 A N 1.081 123.987 122.820 0.142 0.000 2.331 975 A HA 0.591 4.846 4.320 -0.110 0.000 0.283 975 A C 0.660 178.285 177.584 0.068 0.000 1.142 975 A CA 0.322 52.429 52.037 0.116 0.000 0.812 975 A CB 0.402 19.490 19.000 0.147 0.000 1.074 975 A HN 0.536 nan 8.150 nan 0.000 0.497 976 T N -0.076 114.445 114.554 -0.054 0.000 2.916 976 T HA 0.443 4.728 4.350 -0.110 0.000 0.292 976 T C 0.787 175.278 174.700 -0.348 0.000 1.064 976 T CA -0.526 61.401 62.100 -0.288 0.000 1.011 976 T CB 0.837 69.622 68.868 -0.140 0.000 1.152 976 T HN 0.583 nan 8.240 nan 0.000 0.510 977 L N 1.122 122.010 121.223 -0.559 0.000 2.043 977 L HA -0.078 4.196 4.340 -0.110 0.000 0.212 977 L C 2.975 179.763 176.870 -0.137 0.000 1.075 977 L CA 2.443 57.114 54.840 -0.283 0.000 0.752 977 L CB -1.080 40.841 42.059 -0.230 0.000 0.891 977 L HN 0.860 nan 8.230 nan 0.000 0.432 978 Q N -1.258 118.479 119.800 -0.104 0.000 2.226 978 Q HA -0.141 4.133 4.340 -0.110 0.000 0.204 978 Q C 2.596 178.597 176.000 0.001 0.000 0.975 978 Q CA 1.516 57.296 55.803 -0.038 0.000 0.866 978 Q CB -0.525 28.198 28.738 -0.025 0.000 0.915 978 Q HN 0.931 nan 8.270 nan 0.000 0.440 979 S N -1.336 114.363 115.700 -0.002 0.000 2.458 979 S HA 0.092 4.497 4.470 -0.110 0.000 0.223 979 S C 1.889 176.544 174.600 0.092 0.000 1.019 979 S CA 0.683 58.911 58.200 0.046 0.000 0.937 979 S CB -0.290 62.927 63.200 0.029 0.000 0.788 979 S HN 0.616 nan 8.310 nan 0.000 0.511 980 I N 1.523 122.147 120.570 0.090 0.000 2.163 980 I HA -0.114 3.990 4.170 -0.110 0.000 0.240 980 I C 2.294 178.477 176.117 0.109 0.000 1.081 980 I CA 1.281 62.677 61.300 0.160 0.000 1.353 980 I CB -0.337 37.844 38.000 0.302 0.000 1.054 980 I HN 0.274 nan 8.210 nan 0.000 0.407 981 L N -0.018 121.253 121.223 0.081 0.000 2.191 981 L HA -0.182 4.092 4.340 -0.110 0.000 0.212 981 L C 2.598 179.515 176.870 0.078 0.000 1.103 981 L CA 1.276 56.171 54.840 0.093 0.000 0.769 981 L CB -0.514 41.590 42.059 0.075 0.000 0.908 981 L HN 0.296 nan 8.230 nan 0.000 0.438 982 S N -1.409 114.336 115.700 0.076 0.000 2.489 982 S HA -0.091 4.313 4.470 -0.110 0.000 0.228 982 S C 1.804 176.426 174.600 0.037 0.000 0.995 982 S CA 1.304 59.553 58.200 0.082 0.000 0.934 982 S CB -0.070 63.219 63.200 0.148 0.000 0.771 982 S HN 0.384 nan 8.310 nan 0.000 0.522 983 T N 2.082 116.665 114.554 0.048 0.000 3.010 983 T HA 0.340 4.624 4.350 -0.110 0.000 0.252 983 T C 0.732 175.330 174.700 -0.170 0.000 1.047 983 T CA 0.003 62.082 62.100 -0.035 0.000 1.140 983 T CB -0.170 68.726 68.868 0.046 0.000 0.885 983 T HN 0.269 nan 8.240 nan 0.000 0.464 984 L N 2.095 123.213 121.223 -0.176 0.000 2.483 984 L HA 0.152 4.426 4.340 -0.110 0.000 0.277 984 L C -2.117 174.653 176.870 -0.166 0.000 1.248 984 L CA -1.796 52.877 54.840 -0.279 0.000 0.825 984 L CB -0.224 41.639 42.059 -0.326 0.000 1.096 984 L HN -0.003 nan 8.230 nan 0.000 0.512 985 P HA -0.007 nan 4.420 nan 0.000 0.267 985 P C -0.669 176.631 177.300 -0.000 0.000 1.200 985 P CA -0.242 62.791 63.100 -0.113 0.000 0.772 985 P CB 0.492 32.110 31.700 -0.135 0.000 0.855 986 S N 2.003 117.655 115.700 -0.081 0.000 2.608 986 S HA 0.083 4.487 4.470 -0.110 0.000 0.261 986 S C 1.357 175.843 174.600 -0.191 0.000 1.314 986 S CA -0.204 57.909 58.200 -0.145 0.000 0.992 986 S CB 0.474 63.564 63.200 -0.183 0.000 0.935 986 S HN 0.544 nan 8.310 nan 0.000 0.564 987 K N 0.461 120.583 120.400 -0.464 0.000 2.097 987 K HA -0.124 4.130 4.320 -0.110 0.000 0.206 987 K C 2.177 178.600 176.600 -0.295 0.000 1.049 987 K CA 1.752 57.659 56.287 -0.633 0.000 0.933 987 K CB -0.748 30.921 32.500 -1.385 0.000 0.717 987 K HN 0.579 nan 8.250 nan 0.000 0.442 988 S N 0.901 116.440 115.700 -0.268 0.000 2.371 988 S HA -0.149 4.255 4.470 -0.110 0.000 0.224 988 S C 2.110 176.628 174.600 -0.137 0.000 1.029 988 S CA 0.848 58.942 58.200 -0.176 0.000 0.978 988 S CB -0.156 62.938 63.200 -0.175 0.000 0.833 988 S HN 0.474 nan 8.310 nan 0.000 0.466 989 Q N 0.743 120.454 119.800 -0.148 0.000 2.061 989 Q HA -0.055 4.219 4.340 -0.110 0.000 0.204 989 Q C 2.623 178.554 176.000 -0.114 0.000 0.984 989 Q CA 1.746 57.465 55.803 -0.140 0.000 0.846 989 Q CB -0.532 28.116 28.738 -0.150 0.000 0.902 989 Q HN 0.763 nan 8.270 nan 0.000 0.421 990 A N 0.941 123.725 122.820 -0.059 0.000 1.898 990 A HA -0.101 4.153 4.320 -0.110 0.000 0.216 990 A C 2.300 179.857 177.584 -0.046 0.000 1.181 990 A CA 1.519 53.545 52.037 -0.018 0.000 0.620 990 A CB -0.827 18.285 19.000 0.187 0.000 0.819 990 A HN 0.406 nan 8.150 nan 0.000 0.442 991 A N -0.241 122.561 122.820 -0.030 0.000 1.908 991 A HA -0.186 4.068 4.320 -0.110 0.000 0.218 991 A C 2.116 179.651 177.584 -0.082 0.000 1.181 991 A CA 1.945 53.967 52.037 -0.026 0.000 0.627 991 A CB -0.426 18.590 19.000 0.027 0.000 0.818 991 A HN 0.532 nan 8.150 nan 0.000 0.445 992 K N -0.574 119.775 120.400 -0.085 0.000 2.148 992 K HA 0.010 4.264 4.320 -0.110 0.000 0.204 992 K C 2.206 178.721 176.600 -0.142 0.000 1.050 992 K CA 0.959 57.190 56.287 -0.093 0.000 0.942 992 K CB -0.236 32.205 32.500 -0.099 0.000 0.724 992 K HN 0.454 nan 8.250 nan 0.000 0.446 993 A N 0.947 123.662 122.820 -0.175 0.000 1.968 993 A HA -0.086 4.168 4.320 -0.110 0.000 0.217 993 A C 2.012 179.451 177.584 -0.241 0.000 1.169 993 A CA 1.037 52.940 52.037 -0.224 0.000 0.638 993 A CB -0.392 18.455 19.000 -0.255 0.000 0.812 993 A HN 0.158 nan 8.150 nan 0.000 0.446 994 I N -0.221 120.187 120.570 -0.270 0.000 2.252 994 I HA -0.256 3.848 4.170 -0.110 0.000 0.245 994 I C 2.954 178.723 176.117 -0.581 0.000 1.102 994 I CA 0.973 62.025 61.300 -0.414 0.000 1.385 994 I CB -0.253 37.428 38.000 -0.533 0.000 1.064 994 I HN 0.345 nan 8.210 nan 0.000 0.414 995 A N 0.202 122.710 122.820 -0.520 0.000 1.883 995 A HA -0.234 4.020 4.320 -0.110 0.000 0.217 995 A C 2.389 179.955 177.584 -0.030 0.000 1.186 995 A CA 2.559 54.431 52.037 -0.274 0.000 0.624 995 A CB -1.168 17.877 19.000 0.076 0.000 0.822 995 A HN 0.373 nan 8.150 nan 0.000 0.444 996 T N -0.464 114.044 114.554 -0.077 0.000 2.684 996 T HA -0.130 4.154 4.350 -0.110 0.000 0.267 996 T C 1.840 176.517 174.700 -0.039 0.000 1.036 996 T CA 1.660 63.732 62.100 -0.047 0.000 1.148 996 T CB -0.397 68.408 68.868 -0.105 0.000 0.863 996 T HN 0.148 nan 8.240 nan 0.000 0.436 997 V N 0.398 120.262 119.914 -0.084 0.000 2.515 997 V HA -0.129 3.925 4.120 -0.110 0.000 0.250 997 V C 1.957 178.049 176.094 -0.002 0.000 1.058 997 V CA 1.400 63.669 62.300 -0.053 0.000 1.064 997 V CB -0.665 31.131 31.823 -0.046 0.000 0.675 997 V HN 0.538 nan 8.190 nan 0.000 0.461 998 Y N 0.657 120.909 120.300 -0.079 0.000 2.145 998 Y HA -0.221 4.263 4.550 -0.110 0.000 0.286 998 Y C 2.182 178.137 175.900 0.091 0.000 1.145 998 Y CA 1.816 59.945 58.100 0.048 0.000 1.148 998 Y CB -0.214 38.362 38.460 0.193 0.000 0.981 998 Y HN 0.206 nan 8.280 nan 0.000 0.507 999 I N -0.160 120.423 120.570 0.022 0.000 2.315 999 I HA -0.300 3.804 4.170 -0.110 0.000 0.248 999 I C 1.939 178.051 176.117 -0.008 0.000 1.117 999 I CA 1.254 62.541 61.300 -0.020 0.000 1.404 999 I CB -0.250 37.804 38.000 0.090 0.000 1.071 999 I HN 0.236 nan 8.210 nan 0.000 0.419 1000 L N -0.200 121.017 121.223 -0.010 0.000 2.558 1000 L HA 0.008 4.282 4.340 -0.110 0.000 0.225 1000 L C 1.691 178.495 176.870 -0.110 0.000 1.128 1000 L CA 0.842 55.680 54.840 -0.004 0.000 0.868 1000 L CB -0.538 41.518 42.059 -0.006 0.000 1.006 1000 L HN 0.360 nan 8.230 nan 0.000 0.454 1001 T N -4.406 110.074 114.554 -0.123 0.000 3.132 1001 T HA 0.122 4.406 4.350 -0.110 0.000 0.274 1001 T C 0.365 175.000 174.700 -0.109 0.000 1.011 1001 T CA -0.466 61.578 62.100 -0.093 0.000 0.899 1001 T CB 0.150 68.989 68.868 -0.048 0.000 1.089 1001 T HN -0.149 nan 8.240 nan 0.000 0.543 1002 K N 1.858 122.171 120.400 -0.145 0.000 2.285 1002 K HA 0.454 4.708 4.320 -0.110 0.000 0.286 1002 K C -0.974 175.585 176.600 -0.068 0.000 1.072 1002 K CA -1.174 55.012 56.287 -0.169 0.000 0.913 1002 K CB -0.397 31.947 32.500 -0.260 0.000 1.067 1002 K HN 0.250 nan 8.250 nan 0.000 0.479 1003 F N 2.421 122.439 119.950 0.112 0.000 2.443 1003 F HA 0.138 4.598 4.527 -0.111 0.000 0.353 1003 F C 1.340 177.176 175.800 0.060 0.000 1.101 1003 F CA -0.073 57.981 58.000 0.090 0.000 1.226 1003 F CB 1.132 40.177 39.000 0.075 0.000 1.140 1003 F HN 0.437 nan 8.300 nan 0.000 0.557 1004 S N 1.928 117.772 115.700 0.239 0.000 2.572 1004 S HA 0.230 4.634 4.470 -0.110 0.000 0.279 1004 S C 1.319 175.989 174.600 0.116 0.000 1.341 1004 S CA 0.182 58.451 58.200 0.114 0.000 1.043 1004 S CB 1.090 64.314 63.200 0.040 0.000 0.887 1004 S HN 0.787 nan 8.310 nan 0.000 0.516 1005 E N 2.058 122.306 120.200 0.079 0.000 2.265 1005 E HA -0.149 4.135 4.350 -0.110 0.000 0.196 1005 E C 1.061 177.685 176.600 0.039 0.000 0.996 1005 E CA 1.481 57.920 56.400 0.065 0.000 0.832 1005 E CB -0.535 29.195 29.700 0.050 0.000 0.756 1005 E HN 0.870 nan 8.360 nan 0.000 0.491 1006 D N -0.393 120.018 120.400 0.018 0.000 2.342 1006 D HA 0.086 4.660 4.640 -0.110 0.000 0.221 1006 D C 0.257 176.522 176.300 -0.059 0.000 1.101 1006 D CA -0.129 53.860 54.000 -0.017 0.000 0.837 1006 D CB -0.075 40.709 40.800 -0.026 0.000 0.938 1006 D HN 0.253 nan 8.370 nan 0.000 0.508 1007 E N 1.222 121.382 120.200 -0.066 0.000 2.442 1007 E HA 0.053 4.337 4.350 -0.110 0.000 0.262 1007 E C -0.303 176.059 176.600 -0.397 0.000 1.004 1007 E CA 0.277 56.527 56.400 -0.250 0.000 0.928 1007 E CB 0.496 29.956 29.700 -0.402 0.000 0.937 1007 E HN 0.109 nan 8.360 nan 0.000 0.446 1008 R N 3.673 123.919 120.500 -0.424 0.000 2.387 1008 R HA 0.287 4.561 4.340 -0.110 0.000 0.314 1008 R C -0.768 175.272 176.300 -0.433 0.000 0.958 1008 R CA -0.644 55.258 56.100 -0.330 0.000 0.846 1008 R CB 0.943 31.136 30.300 -0.179 0.000 1.147 1008 R HN 0.527 nan 8.270 nan 0.000 0.447 1009 Y N 0.994 121.240 120.300 -0.090 0.000 2.480 1009 Y HA 0.207 4.693 4.550 -0.108 0.000 0.323 1009 Y C 0.570 176.404 175.900 -0.110 0.000 1.267 1009 Y CA -1.080 56.964 58.100 -0.093 0.000 1.336 1009 Y CB 0.499 38.865 38.460 -0.157 0.000 1.361 1009 Y HN 0.343 nan 8.280 nan 0.000 0.518 1010 L N 2.204 123.484 121.223 0.096 0.000 2.667 1010 L HA 0.181 4.455 4.340 -0.110 0.000 0.278 1010 L C 1.046 177.775 176.870 -0.235 0.000 1.217 1010 L CA 1.615 56.461 54.840 0.010 0.000 0.935 1010 L CB -0.671 41.415 42.059 0.046 0.000 1.193 1010 L HN 0.878 nan 8.230 nan 0.000 0.493 1011 G N 2.915 111.472 108.800 -0.406 0.000 2.175 1011 G HA2 -0.316 3.578 3.960 -0.110 0.000 0.244 1011 G HA3 -0.316 3.578 3.960 -0.110 0.000 0.244 1011 G C 0.429 174.753 174.900 -0.960 0.000 0.982 1011 G CA 0.209 44.751 45.100 -0.930 0.000 0.641 1011 G HN 0.905 nan 8.290 nan 0.000 0.527 1012 N N 0.465 118.839 118.700 -0.544 0.000 2.402 1012 N HA 0.340 5.014 4.740 -0.110 0.000 0.259 1012 N C -0.152 175.252 175.510 -0.177 0.000 1.167 1012 N CA -0.301 52.569 53.050 -0.301 0.000 0.949 1012 N CB -0.143 38.258 38.487 -0.143 0.000 1.212 1012 N HN 0.208 nan 8.380 nan 0.000 0.493 1013 Y N 0.929 121.204 120.300 -0.042 0.000 2.751 1013 Y HA 0.143 4.627 4.550 -0.110 0.000 0.289 1013 Y C 1.879 177.753 175.900 -0.043 0.000 1.110 1013 Y CA -0.764 57.322 58.100 -0.024 0.000 1.251 1013 Y CB -0.540 37.962 38.460 0.070 0.000 1.178 1013 Y HN 0.554 nan 8.280 nan 0.000 0.540 1014 S N -0.815 114.932 115.700 0.077 0.000 2.447 1014 S HA -0.000 4.404 4.470 -0.110 0.000 0.233 1014 S C 1.538 176.150 174.600 0.021 0.000 1.006 1014 S CA 0.733 58.962 58.200 0.049 0.000 0.957 1014 S CB 0.005 63.226 63.200 0.035 0.000 0.773 1014 S HN 0.294 nan 8.310 nan 0.000 0.507 1015 A N 1.777 124.569 122.820 -0.046 0.000 2.827 1015 A HA 0.519 4.774 4.320 -0.110 0.000 0.300 1015 A C 0.683 177.910 177.584 -0.595 0.000 1.237 1015 A CA -0.250 51.700 52.037 -0.144 0.000 0.964 1015 A CB -0.419 18.597 19.000 0.026 0.000 1.143 1015 A HN 0.544 nan 8.150 nan 0.000 0.554 1016 T N -4.049 110.116 114.554 -0.648 0.000 2.936 1016 T HA 0.633 4.918 4.350 -0.110 0.000 0.282 1016 T C 0.636 174.745 174.700 -0.985 0.000 1.003 1016 T CA -0.027 61.654 62.100 -0.697 0.000 1.005 1016 T CB 1.855 70.564 68.868 -0.265 0.000 1.097 1016 T HN 0.569 nan 8.240 nan 0.000 0.532 1017 A N -0.121 122.285 122.820 -0.691 0.000 2.507 1017 A HA 0.341 4.595 4.320 -0.110 0.000 0.270 1017 A C -0.072 177.400 177.584 -0.186 0.000 1.318 1017 A CA -1.031 50.809 52.037 -0.328 0.000 0.924 1017 A CB -0.786 18.166 19.000 -0.080 0.000 1.061 1017 A HN 0.802 nan 8.150 nan 0.000 0.516 1018 W N 0.451 121.698 121.300 -0.089 0.000 2.253 1018 W HA 0.277 4.873 4.660 -0.106 0.000 0.322 1018 W C 0.951 177.489 176.519 0.031 0.000 1.342 1018 W CA -0.381 56.953 57.345 -0.019 0.000 1.218 1018 W CB 0.748 30.201 29.460 -0.013 0.000 1.205 1018 W HN 0.305 nan 8.180 nan 0.000 0.551 1019 E N 0.899 121.296 120.200 0.329 0.000 2.414 1019 E HA -0.081 4.203 4.350 -0.110 0.000 0.208 1019 E C 0.097 176.803 176.600 0.177 0.000 0.820 1019 E CA 0.123 56.644 56.400 0.201 0.000 1.143 1019 E CB -0.202 29.573 29.700 0.124 0.000 1.150 1019 E HN 0.474 nan 8.360 nan 0.000 0.540 1020 D N 2.309 122.851 120.400 0.237 0.000 2.472 1020 D HA -0.065 4.509 4.640 -0.110 0.000 0.248 1020 D C 0.941 177.281 176.300 0.068 0.000 1.174 1020 D CA 0.268 54.358 54.000 0.150 0.000 0.883 1020 D CB 1.057 41.991 40.800 0.222 0.000 1.149 1020 D HN -0.243 nan 8.370 nan 0.000 0.488 1021 K N 3.209 123.620 120.400 0.018 0.000 2.103 1021 K HA -0.138 4.116 4.320 -0.110 0.000 0.207 1021 K C 1.391 177.969 176.600 -0.036 0.000 1.048 1021 K CA 1.618 57.902 56.287 -0.005 0.000 0.930 1021 K CB -0.246 32.246 32.500 -0.014 0.000 0.716 1021 K HN 0.605 nan 8.250 nan 0.000 0.444 1022 D N 0.138 120.493 120.400 -0.075 0.000 2.117 1022 D HA -0.023 4.551 4.640 -0.110 0.000 0.198 1022 D C 2.030 178.255 176.300 -0.126 0.000 0.982 1022 D CA 1.412 55.346 54.000 -0.109 0.000 0.828 1022 D CB -0.454 40.247 40.800 -0.165 0.000 0.967 1022 D HN 0.353 nan 8.370 nan 0.000 0.464 1023 A N 1.234 123.962 122.820 -0.154 0.000 1.908 1023 A HA -0.147 4.107 4.320 -0.110 0.000 0.218 1023 A C 2.428 179.873 177.584 -0.232 0.000 1.181 1023 A CA 0.996 52.862 52.037 -0.285 0.000 0.627 1023 A CB -0.836 17.928 19.000 -0.393 0.000 0.818 1023 A HN 0.190 nan 8.150 nan 0.000 0.445 1024 L N -0.605 120.554 121.223 -0.106 0.000 2.046 1024 L HA -0.191 4.083 4.340 -0.110 0.000 0.208 1024 L C 2.124 178.985 176.870 -0.015 0.000 1.077 1024 L CA 1.424 56.241 54.840 -0.037 0.000 0.747 1024 L CB -0.800 41.270 42.059 0.019 0.000 0.896 1024 L HN 0.306 nan 8.230 nan 0.000 0.432 1025 D N 0.466 120.854 120.400 -0.021 0.000 2.097 1025 D HA -0.170 4.404 4.640 -0.110 0.000 0.195 1025 D C 2.259 178.574 176.300 0.025 0.000 0.989 1025 D CA 1.588 55.585 54.000 -0.005 0.000 0.827 1025 D CB -0.066 40.724 40.800 -0.018 0.000 0.966 1025 D HN 0.304 nan 8.370 nan 0.000 0.456 1026 A N 0.776 123.615 122.820 0.031 0.000 1.908 1026 A HA -0.175 4.079 4.320 -0.110 0.000 0.218 1026 A C 2.408 180.143 177.584 0.252 0.000 1.181 1026 A CA 1.104 53.227 52.037 0.144 0.000 0.627 1026 A CB -0.775 18.283 19.000 0.097 0.000 0.818 1026 A HN 0.215 nan 8.150 nan 0.000 0.445 1027 I N -0.058 120.621 120.570 0.182 0.000 2.179 1027 I HA -0.272 3.832 4.170 -0.110 0.000 0.242 1027 I C 2.179 178.310 176.117 0.024 0.000 1.088 1027 I CA 1.184 62.530 61.300 0.077 0.000 1.357 1027 I CB -0.549 37.511 38.000 0.100 0.000 1.051 1027 I HN 0.293 nan 8.210 nan 0.000 0.409 1028 N N 1.161 119.876 118.700 0.025 0.000 2.060 1028 N HA -0.218 4.456 4.740 -0.110 0.000 0.195 1028 N C 1.921 177.429 175.510 -0.002 0.000 1.028 1028 N CA 1.581 54.630 53.050 -0.002 0.000 0.861 1028 N CB -0.404 38.084 38.487 0.002 0.000 1.029 1028 N HN 0.379 nan 8.380 nan 0.000 0.428 1029 R N -0.724 119.802 120.500 0.044 0.000 2.090 1029 R HA -0.025 4.249 4.340 -0.110 0.000 0.228 1029 R C 2.003 178.356 176.300 0.087 0.000 1.110 1029 R CA 0.570 56.705 56.100 0.058 0.000 0.973 1029 R CB -0.398 29.952 30.300 0.083 0.000 0.869 1029 R HN 0.179 nan 8.270 nan 0.000 0.440 1030 F N 2.422 122.309 119.950 -0.106 0.000 2.075 1030 F HA -0.209 4.252 4.527 -0.111 0.000 0.297 1030 F C 2.085 177.768 175.800 -0.194 0.000 1.113 1030 F CA 1.621 59.502 58.000 -0.197 0.000 1.218 1030 F CB -0.511 38.129 39.000 -0.599 0.000 0.984 1030 F HN -0.058 nan 8.300 nan 0.000 0.472 1031 Q N -0.080 119.523 119.800 -0.328 0.000 2.061 1031 Q HA -0.222 4.052 4.340 -0.110 0.000 0.204 1031 Q C 1.900 177.749 176.000 -0.251 0.000 0.984 1031 Q CA 1.877 57.441 55.803 -0.399 0.000 0.846 1031 Q CB -0.345 28.230 28.738 -0.272 0.000 0.902 1031 Q HN 0.390 nan 8.270 nan 0.000 0.421 1032 D N -0.027 120.290 120.400 -0.140 0.000 2.149 1032 D HA -0.144 4.431 4.640 -0.110 0.000 0.198 1032 D C 1.856 178.108 176.300 -0.080 0.000 0.990 1032 D CA 0.939 54.886 54.000 -0.090 0.000 0.839 1032 D CB -0.197 40.575 40.800 -0.045 0.000 0.948 1032 D HN -0.037 nan 8.370 nan 0.000 0.460 1033 K N 0.212 120.573 120.400 -0.065 0.000 2.057 1033 K HA 0.007 4.261 4.320 -0.110 0.000 0.206 1033 K C 2.418 178.975 176.600 -0.071 0.000 1.050 1033 K CA 0.285 56.556 56.287 -0.026 0.000 0.935 1033 K CB -0.716 31.821 32.500 0.062 0.000 0.715 1033 K HN 0.248 nan 8.250 nan 0.000 0.439 1034 L N 0.407 121.518 121.223 -0.187 0.000 2.083 1034 L HA -0.141 4.133 4.340 -0.110 0.000 0.209 1034 L C 2.834 179.618 176.870 -0.144 0.000 1.083 1034 L CA 1.993 56.708 54.840 -0.208 0.000 0.752 1034 L CB -0.509 41.309 42.059 -0.402 0.000 0.899 1034 L HN 0.461 nan 8.230 nan 0.000 0.433 1035 E N 0.348 120.462 120.200 -0.144 0.000 2.077 1035 E HA -0.251 4.033 4.350 -0.110 0.000 0.193 1035 E C 1.665 178.223 176.600 -0.070 0.000 0.989 1035 E CA 1.542 57.878 56.400 -0.107 0.000 0.800 1035 E CB 0.143 29.781 29.700 -0.102 0.000 0.746 1035 E HN 0.411 nan 8.360 nan 0.000 0.452 1036 D N 0.344 120.712 120.400 -0.053 0.000 2.117 1036 D HA -0.146 4.428 4.640 -0.110 0.000 0.197 1036 D C 2.041 178.331 176.300 -0.018 0.000 0.987 1036 D CA 0.922 54.904 54.000 -0.028 0.000 0.829 1036 D CB -0.176 40.616 40.800 -0.014 0.000 0.961 1036 D HN 0.310 nan 8.370 nan 0.000 0.460 1037 I N 0.467 121.027 120.570 -0.016 0.000 2.226 1037 I HA -0.266 3.838 4.170 -0.110 0.000 0.245 1037 I C 2.548 178.660 176.117 -0.008 0.000 1.100 1037 I CA 0.801 62.103 61.300 0.004 0.000 1.374 1037 I CB -0.216 37.795 38.000 0.019 0.000 1.057 1037 I HN -0.047 nan 8.210 nan 0.000 0.413 1038 S N 1.043 116.722 115.700 -0.035 0.000 2.359 1038 S HA -0.326 4.079 4.470 -0.110 0.000 0.222 1038 S C 2.502 177.078 174.600 -0.040 0.000 1.038 1038 S CA 2.668 60.839 58.200 -0.047 0.000 1.051 1038 S CB -0.419 62.734 63.200 -0.078 0.000 0.944 1038 S HN 0.407 nan 8.310 nan 0.000 0.433 1039 K N 1.075 121.451 120.400 -0.040 0.000 2.059 1039 K HA -0.166 4.088 4.320 -0.110 0.000 0.212 1039 K C 2.045 178.632 176.600 -0.020 0.000 1.050 1039 K CA 2.144 58.412 56.287 -0.032 0.000 0.927 1039 K CB -1.202 31.280 32.500 -0.030 0.000 0.714 1039 K HN 0.725 nan 8.250 nan 0.000 0.447 1040 K N -0.456 119.938 120.400 -0.009 0.000 2.148 1040 K HA 0.097 4.351 4.320 -0.110 0.000 0.204 1040 K C 2.258 178.861 176.600 0.006 0.000 1.050 1040 K CA 1.342 57.631 56.287 0.003 0.000 0.942 1040 K CB -0.272 32.237 32.500 0.014 0.000 0.724 1040 K HN 0.421 nan 8.250 nan 0.000 0.446 1041 I N 1.272 121.846 120.570 0.006 0.000 2.252 1041 I HA -0.282 3.822 4.170 -0.110 0.000 0.245 1041 I C 2.080 178.186 176.117 -0.019 0.000 1.102 1041 I CA 1.363 62.668 61.300 0.010 0.000 1.385 1041 I CB -0.112 37.901 38.000 0.023 0.000 1.064 1041 I HN 0.102 nan 8.210 nan 0.000 0.414 1042 K N 0.412 120.794 120.400 -0.030 0.000 2.057 1042 K HA -0.190 4.064 4.320 -0.110 0.000 0.206 1042 K C 2.156 178.736 176.600 -0.034 0.000 1.050 1042 K CA 1.290 57.552 56.287 -0.041 0.000 0.935 1042 K CB -0.138 32.333 32.500 -0.047 0.000 0.715 1042 K HN 0.390 nan 8.250 nan 0.000 0.439 1043 Q N 0.279 120.066 119.800 -0.023 0.000 2.084 1043 Q HA -0.120 4.154 4.340 -0.110 0.000 0.202 1043 Q C 2.224 178.215 176.000 -0.015 0.000 0.978 1043 Q CA 0.914 56.708 55.803 -0.016 0.000 0.844 1043 Q CB -0.088 28.645 28.738 -0.007 0.000 0.898 1043 Q HN 0.150 nan 8.270 nan 0.000 0.426 1044 R N 1.047 121.537 120.500 -0.016 0.000 2.091 1044 R HA -0.149 4.125 4.340 -0.110 0.000 0.238 1044 R C 1.407 177.668 176.300 -0.065 0.000 1.136 1044 R CA 1.446 57.530 56.100 -0.026 0.000 0.959 1044 R CB -0.231 30.058 30.300 -0.019 0.000 0.856 1044 R HN 0.303 nan 8.270 nan 0.000 0.437 1045 N N 1.192 119.848 118.700 -0.072 0.000 2.216 1045 N HA -0.159 4.515 4.740 -0.110 0.000 0.183 1045 N C 1.519 176.994 175.510 -0.057 0.000 1.017 1045 N CA 1.459 54.457 53.050 -0.087 0.000 0.861 1045 N CB -0.242 38.196 38.487 -0.083 0.000 0.986 1045 N HN 0.538 nan 8.380 nan 0.000 0.428 1046 E N 0.021 120.197 120.200 -0.039 0.000 2.333 1046 E HA -0.102 4.182 4.350 -0.110 0.000 0.198 1046 E C 0.301 176.893 176.600 -0.014 0.000 1.007 1046 E CA 0.869 57.254 56.400 -0.026 0.000 0.845 1046 E CB -0.205 29.482 29.700 -0.021 0.000 0.766 1046 E HN 0.189 nan 8.360 nan 0.000 0.507 1047 N N 0.514 119.207 118.700 -0.011 0.000 2.322 1047 N HA 0.184 4.858 4.740 -0.110 0.000 0.194 1047 N C -0.212 175.310 175.510 0.020 0.000 1.126 1047 N CA 0.277 53.333 53.050 0.009 0.000 0.845 1047 N CB 0.453 38.951 38.487 0.019 0.000 0.976 1047 N HN 0.209 nan 8.380 nan 0.000 0.475 1048 L N 0.270 121.493 121.223 0.000 0.000 2.334 1048 L HA 0.273 4.547 4.340 -0.110 0.000 0.272 1048 L C 1.369 178.266 176.870 0.046 0.000 1.020 1048 L CA -0.542 54.314 54.840 0.028 0.000 0.812 1048 L CB 1.856 43.892 42.059 -0.039 0.000 1.264 1048 L HN -0.078 nan 8.230 nan 0.000 0.439 1049 E N 0.870 121.133 120.200 0.105 0.000 2.106 1049 E HA -0.062 4.222 4.350 -0.110 0.000 0.192 1049 E C -0.313 176.272 176.600 -0.024 0.000 0.984 1049 E CA 0.956 57.403 56.400 0.077 0.000 0.806 1049 E CB 0.311 30.142 29.700 0.218 0.000 0.750 1049 E HN 0.270 nan 8.360 nan 0.000 0.458 1050 V N 2.606 122.529 119.914 0.015 0.000 2.380 1050 V HA 0.207 4.261 4.120 -0.110 0.000 0.272 1050 V C -2.478 173.656 176.094 0.066 0.000 1.011 1050 V CA -1.741 60.538 62.300 -0.035 0.000 0.826 1050 V CB 1.015 32.751 31.823 -0.144 0.000 1.040 1050 V HN 0.001 nan 8.190 nan 0.000 0.441 1051 P HA -0.058 nan 4.420 nan 0.000 0.263 1051 P C -0.973 176.310 177.300 -0.030 0.000 1.175 1051 P CA 0.376 63.447 63.100 -0.048 0.000 0.761 1051 P CB 0.173 31.827 31.700 -0.077 0.000 0.794 1052 Y N 4.613 124.794 120.300 -0.199 0.000 2.385 1052 Y HA 0.366 4.850 4.550 -0.110 0.000 0.341 1052 Y C 1.017 176.744 175.900 -0.288 0.000 0.965 1052 Y CA -0.298 57.661 58.100 -0.234 0.000 1.180 1052 Y CB 0.328 38.767 38.460 -0.035 0.000 1.139 1052 Y HN 0.321 nan 8.280 nan 0.000 0.502 1053 I N 1.654 121.734 120.570 -0.817 0.000 4.139 1053 I HA 0.107 4.211 4.170 -0.110 0.000 0.335 1053 I C 0.166 176.020 176.117 -0.439 0.000 1.327 1053 I CA -0.061 60.944 61.300 -0.492 0.000 1.112 1053 I CB -0.075 37.736 38.000 -0.316 0.000 1.058 1053 I HN 0.523 nan 8.210 nan 0.000 0.396 1054 Y N 1.356 121.382 120.300 -0.457 0.000 2.497 1054 Y HA 0.140 4.624 4.550 -0.110 0.000 0.292 1054 Y C 1.778 177.638 175.900 -0.068 0.000 1.137 1054 Y CA 0.431 58.398 58.100 -0.222 0.000 1.285 1054 Y CB -0.026 38.293 38.460 -0.235 0.000 0.991 1054 Y HN 0.206 nan 8.280 nan 0.000 0.556 1055 L N 0.271 121.507 121.223 0.022 0.000 2.910 1055 L HA 0.208 4.482 4.340 -0.110 0.000 0.252 1055 L C -0.122 176.799 176.870 0.085 0.000 1.195 1055 L CA -0.182 54.752 54.840 0.158 0.000 1.003 1055 L CB 0.213 42.461 42.059 0.315 0.000 1.328 1055 L HN 0.146 nan 8.230 nan 0.000 0.540 1056 L N 1.492 122.718 121.223 0.004 0.000 2.499 1056 L HA 0.025 4.299 4.340 -0.110 0.000 0.273 1056 L C -1.072 175.771 176.870 -0.045 0.000 1.195 1056 L CA -1.121 53.696 54.840 -0.039 0.000 0.882 1056 L CB 0.678 42.676 42.059 -0.101 0.000 1.133 1056 L HN -0.114 nan 8.230 nan 0.000 0.483 1057 P HA -0.217 nan 4.420 nan 0.000 0.216 1057 P C 1.136 178.372 177.300 -0.106 0.000 1.150 1057 P CA 1.104 64.166 63.100 -0.062 0.000 0.837 1057 P CB 0.079 31.717 31.700 -0.104 0.000 0.786 1058 E N 0.165 120.243 120.200 -0.204 0.000 2.409 1058 E HA -0.153 4.131 4.350 -0.110 0.000 0.198 1058 E C 1.319 177.471 176.600 -0.747 0.000 1.024 1058 E CA 0.791 56.956 56.400 -0.393 0.000 0.861 1058 E CB -0.365 29.116 29.700 -0.364 0.000 0.788 1058 E HN 0.297 nan 8.360 nan 0.000 0.521 1059 R N 0.471 120.702 120.500 -0.448 0.000 2.397 1059 R HA 0.368 4.642 4.340 -0.110 0.000 0.241 1059 R C 0.166 176.437 176.300 -0.049 0.000 0.914 1059 R CA -0.110 55.708 56.100 -0.470 0.000 1.071 1059 R CB 0.654 30.806 30.300 -0.245 0.000 1.116 1059 R HN 0.149 nan 8.270 nan 0.000 0.524 1060 I N 2.952 123.616 120.570 0.156 0.000 2.328 1060 I HA 0.281 4.385 4.170 -0.110 0.000 0.287 1060 I C -2.409 173.939 176.117 0.385 0.000 1.012 1060 I CA -2.659 58.818 61.300 0.296 0.000 1.195 1060 I CB 1.639 39.762 38.000 0.205 0.000 1.350 1060 I HN -0.334 nan 8.210 nan 0.000 0.464 1061 P HA 0.104 nan 4.420 nan 0.000 0.268 1061 P C 0.307 177.747 177.300 0.233 0.000 1.205 1061 P CA -0.154 63.055 63.100 0.182 0.000 0.771 1061 P CB 0.568 32.460 31.700 0.320 0.000 0.858 1062 N N 0.709 119.496 118.700 0.146 0.000 2.258 1062 N HA -0.108 4.566 4.740 -0.110 0.000 0.187 1062 N C 1.091 176.821 175.510 0.367 0.000 1.012 1062 N CA 1.390 54.587 53.050 0.246 0.000 0.870 1062 N CB -0.206 38.297 38.487 0.026 0.000 0.977 1062 N HN 0.553 nan 8.380 nan 0.000 0.434 1063 G N -1.992 106.965 108.800 0.262 0.000 3.015 1063 G HA2 0.452 4.347 3.960 -0.110 0.000 0.281 1063 G HA3 0.452 4.347 3.960 -0.110 0.000 0.281 1063 G C -1.226 173.785 174.900 0.184 0.000 1.386 1063 G CA -0.331 44.887 45.100 0.197 0.000 0.959 1063 G HN -0.065 nan 8.290 nan 0.000 0.522 1064 T N 0.718 115.296 114.554 0.041 0.000 2.853 1064 T HA 0.538 4.822 4.350 -0.110 0.000 0.317 1064 T C 0.575 175.133 174.700 -0.238 0.000 1.059 1064 T CA 0.442 62.350 62.100 -0.320 0.000 0.954 1064 T CB 1.045 69.635 68.868 -0.463 0.000 0.994 1064 T HN 0.866 nan 8.240 nan 0.000 0.479 1065 A N 3.498 126.291 122.820 -0.045 0.000 2.600 1065 A HA 0.662 4.917 4.320 -0.110 0.000 0.252 1065 A C 0.084 177.840 177.584 0.288 0.000 1.200 1065 A CA -0.059 52.045 52.037 0.111 0.000 0.981 1065 A CB 0.331 19.389 19.000 0.097 0.000 1.207 1065 A HN 0.624 nan 8.150 nan 0.000 0.577 1066 I N 0.000 120.761 120.570 0.318 0.000 2.984 1066 I HA 0.000 4.104 4.170 -0.110 0.000 0.288 1066 I CA 0.000 61.525 61.300 0.375 0.000 1.566 1066 I CB 0.000 38.180 38.000 0.299 0.000 1.214 1066 I HN 0.000 nan 8.210 nan 0.000 0.494