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 2o2r_1_A DATA FIRST_RESID 405 DATA SEQUENCE VINYVEKAVN KLTLQMPYQL FIGGEFVDAE GSKTYNTINP TDGSVICQVS DATA SEQUENCE LAQVSDVDKA VAAAKEAFEN GLWGKINARD RGRLLYRLAD VMEQHQEELA DATA SEQUENCE TIEALDAGAV YTLALKTHVG MSIQTFRYFA GWCDKIQGAT IPINQARPNR DATA SEQUENCE NLTLTKKEPV GVCGIVIPWN YPLMMLSWKT AACLAAGNTV VIKPAQVTPL DATA SEQUENCE TALKFAELTL KAGIPKGVVN ILPGSGSLVG QRLSDHPDVR KIGFTGSTEV DATA SEQUENCE GKHIMKSCAL SNVKKVSLEL GGKSPLIIFA DCDLNKAVQM GMSSVFFNKG DATA SEQUENCE ENCIAAGRLF VEESIHNQFV QKVVEEVEKM KIGNPLERDT NHGPQNHEAH DATA SEQUENCE LRKLVEYCQR GVKEGATLVC GGNQVPRPGF FFQPTVFTDV EDHMYIAKEE DATA SEQUENCE SFGPIMIISR FADGDVDAVL SRANATEFGL ASGVFTRDIN KALYVSDKLQ DATA SEQUENCE AGTVFINTYN KTDVAAPFGG FKQSGFGKDL GEAALNEYLR IKTVTFEY 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 405 V HA 0.000 nan 4.120 nan 0.000 0.244 405 V C 0.000 176.053 176.094 -0.069 0.000 1.182 405 V CA 0.000 62.298 62.300 -0.003 0.000 1.235 405 V CB 0.000 31.824 31.823 0.002 0.000 1.184 406 I N 3.348 123.813 120.570 -0.175 0.000 2.440 406 I HA 0.413 4.583 4.170 -0.000 0.000 0.294 406 I C 0.474 176.193 176.117 -0.664 0.000 0.995 406 I CA -0.218 60.821 61.300 -0.435 0.000 1.306 406 I CB 1.389 39.013 38.000 -0.626 0.000 1.407 406 I HN 0.621 nan 8.210 nan 0.000 0.501 407 N N 4.909 123.280 118.700 -0.549 0.000 2.488 407 N HA 0.360 5.100 4.740 -0.000 0.000 0.274 407 N C -1.456 173.775 175.510 -0.464 0.000 1.111 407 N CA -0.276 52.557 53.050 -0.361 0.000 0.974 407 N CB 0.666 39.087 38.487 -0.110 0.000 1.089 407 N HN 0.340 nan 8.380 nan 0.000 0.465 408 Y N 0.067 120.407 120.300 0.066 0.000 2.562 408 Y HA 0.436 4.986 4.550 -0.000 0.000 0.343 408 Y C -0.013 175.969 175.900 0.137 0.000 1.025 408 Y CA -1.131 57.013 58.100 0.073 0.000 1.082 408 Y CB 1.070 39.526 38.460 -0.006 0.000 1.264 408 Y HN 0.123 nan 8.280 nan 0.000 0.478 409 V N 2.102 122.190 119.914 0.290 0.000 2.385 409 V HA 0.197 4.317 4.120 -0.000 0.000 0.269 409 V C -0.185 175.961 176.094 0.086 0.000 1.043 409 V CA -0.671 61.689 62.300 0.100 0.000 0.906 409 V CB 0.949 32.780 31.823 0.013 0.000 0.995 409 V HN 0.728 nan 8.190 nan 0.000 0.467 410 E N 5.289 125.518 120.200 0.048 0.000 2.175 410 E HA 0.560 4.910 4.350 -0.000 0.000 0.278 410 E C -0.624 175.970 176.600 -0.009 0.000 0.969 410 E CA -0.731 55.676 56.400 0.011 0.000 0.796 410 E CB 1.184 30.892 29.700 0.012 0.000 1.104 410 E HN 0.629 nan 8.360 nan 0.000 0.395 411 K N 2.890 123.278 120.400 -0.020 0.000 2.553 411 K HA 0.480 4.800 4.320 -0.000 0.000 0.250 411 K C -1.811 174.771 176.600 -0.031 0.000 0.953 411 K CA -0.665 55.608 56.287 -0.024 0.000 0.800 411 K CB 1.663 34.151 32.500 -0.020 0.000 1.243 411 K HN 0.496 nan 8.250 nan 0.000 0.435 412 A N 3.355 126.155 122.820 -0.032 0.000 2.302 412 A HA 0.593 4.913 4.320 -0.000 0.000 0.295 412 A C -0.960 176.600 177.584 -0.041 0.000 1.235 412 A CA -0.423 51.592 52.037 -0.037 0.000 0.876 412 A CB 0.811 19.791 19.000 -0.034 0.000 1.133 412 A HN 0.498 nan 8.150 nan 0.000 0.533 413 V N 3.119 123.004 119.914 -0.049 0.000 3.098 413 V HA 0.495 4.615 4.120 -0.000 0.000 0.294 413 V C 0.012 176.056 176.094 -0.084 0.000 1.351 413 V CA 0.036 62.300 62.300 -0.060 0.000 0.999 413 V CB 1.938 33.731 31.823 -0.050 0.000 1.104 413 V HN 1.309 nan 8.190 nan 0.000 0.438 414 N N 3.408 122.041 118.700 -0.111 0.000 2.725 414 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 414 N C 0.346 175.767 175.510 -0.148 0.000 1.103 414 N CA 1.674 54.619 53.050 -0.175 0.000 0.707 414 N CB -1.144 37.184 38.487 -0.266 0.000 1.043 414 N HN 0.949 nan 8.380 nan 0.000 0.553 415 K N -3.204 117.137 120.400 -0.098 0.000 3.339 415 K HA -0.234 4.086 4.320 -0.000 0.000 0.299 415 K C -0.452 176.111 176.600 -0.060 0.000 1.270 415 K CA 1.453 57.696 56.287 -0.073 0.000 0.875 415 K CB -1.837 30.619 32.500 -0.073 0.000 1.298 415 K HN 0.495 nan 8.250 nan 0.000 0.485 416 L N -4.919 116.268 121.223 -0.060 0.000 2.510 416 L HA 0.679 5.019 4.340 -0.000 0.000 0.252 416 L C -0.384 176.459 176.870 -0.046 0.000 1.091 416 L CA -0.813 53.999 54.840 -0.047 0.000 0.888 416 L CB 1.367 43.404 42.059 -0.037 0.000 1.507 416 L HN -0.130 nan 8.230 nan 0.000 0.407 417 T N 1.804 116.330 114.554 -0.047 0.000 2.772 417 T HA 0.642 4.992 4.350 -0.000 0.000 0.288 417 T C -0.161 174.505 174.700 -0.056 0.000 0.994 417 T CA -0.242 61.827 62.100 -0.051 0.000 0.951 417 T CB 0.484 69.317 68.868 -0.058 0.000 0.933 417 T HN 0.463 nan 8.240 nan 0.000 0.447 418 L N 3.638 124.833 121.223 -0.046 0.000 2.331 418 L HA 0.322 4.662 4.340 -0.000 0.000 0.278 418 L C 0.604 177.428 176.870 -0.076 0.000 1.106 418 L CA -0.396 54.419 54.840 -0.041 0.000 0.824 418 L CB 0.532 42.583 42.059 -0.014 0.000 1.142 418 L HN 0.423 nan 8.230 nan 0.000 0.443 419 Q N 5.440 125.160 119.800 -0.133 0.000 2.454 419 Q HA 0.421 4.761 4.340 -0.000 0.000 0.255 419 Q C -0.949 174.994 176.000 -0.094 0.000 1.034 419 Q CA -0.107 55.535 55.803 -0.269 0.000 0.736 419 Q CB 2.020 30.325 28.738 -0.722 0.000 1.210 419 Q HN 0.631 nan 8.270 nan 0.000 0.500 420 M N 3.940 123.593 119.600 0.089 0.000 2.061 420 M HA 0.355 4.834 4.480 -0.000 0.000 0.346 420 M C -2.327 174.094 176.300 0.201 0.000 1.112 420 M CA -1.713 53.666 55.300 0.132 0.000 1.021 420 M CB 1.222 33.876 32.600 0.090 0.000 1.530 420 M HN 0.027 nan 8.290 nan 0.000 0.437 421 P HA 0.031 nan 4.420 nan 0.000 0.272 421 P C -0.823 176.414 177.300 -0.105 0.000 1.223 421 P CA 0.133 63.044 63.100 -0.316 0.000 0.784 421 P CB 0.224 31.339 31.700 -0.975 0.000 0.923 422 Y N -1.902 118.313 120.300 -0.141 0.000 2.666 422 Y HA 0.427 4.977 4.550 -0.000 0.000 0.260 422 Y C 0.248 176.166 175.900 0.030 0.000 1.089 422 Y CA -0.450 57.626 58.100 -0.040 0.000 1.246 422 Y CB -0.211 38.212 38.460 -0.061 0.000 1.353 422 Y HN 0.181 nan 8.280 nan 0.000 0.558 423 Q N 1.371 121.018 119.800 -0.255 0.000 2.169 423 Q HA 0.540 4.880 4.340 -0.000 0.000 0.234 423 Q C -0.452 175.683 176.000 0.225 0.000 0.980 423 Q CA -1.136 54.647 55.803 -0.033 0.000 0.941 423 Q CB 2.010 30.670 28.738 -0.129 0.000 1.199 423 Q HN 0.246 nan 8.270 nan 0.000 0.496 424 L N 0.931 122.260 121.223 0.178 0.000 2.467 424 L HA 0.167 4.507 4.340 -0.000 0.000 0.270 424 L C -0.361 176.610 176.870 0.169 0.000 1.205 424 L CA 0.060 55.000 54.840 0.168 0.000 0.828 424 L CB -0.002 42.112 42.059 0.092 0.000 1.101 424 L HN 0.479 nan 8.230 nan 0.000 0.479 425 F N 3.907 123.789 119.950 -0.112 0.000 2.403 425 F HA 0.597 5.124 4.527 -0.000 0.000 0.355 425 F C -0.453 175.209 175.800 -0.231 0.000 1.119 425 F CA -0.546 57.230 58.000 -0.372 0.000 1.007 425 F CB 0.609 39.295 39.000 -0.523 0.000 1.194 425 F HN 0.139 nan 8.300 nan 0.000 0.443 426 I N 4.903 125.113 120.570 -0.601 0.000 2.534 426 I HA 0.390 4.560 4.170 -0.000 0.000 0.288 426 I C 0.610 176.400 176.117 -0.545 0.000 1.077 426 I CA -0.964 60.069 61.300 -0.444 0.000 1.051 426 I CB 2.055 39.926 38.000 -0.215 0.000 1.234 426 I HN 0.761 nan 8.210 nan 0.000 0.425 427 G N 4.044 112.555 108.800 -0.480 0.000 2.283 427 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.280 427 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.280 427 G C 0.956 175.585 174.900 -0.452 0.000 1.029 427 G CA 0.698 45.578 45.100 -0.366 0.000 0.840 427 G HN 1.702 nan 8.290 nan 0.000 0.505 428 G N -1.292 107.021 108.800 -0.812 0.000 2.143 428 G HA2 0.008 3.968 3.960 -0.000 0.000 0.249 428 G HA3 0.008 3.968 3.960 -0.000 0.000 0.249 428 G C 0.048 174.644 174.900 -0.506 0.000 0.981 428 G CA 1.245 45.944 45.100 -0.668 0.000 0.665 428 G HN 2.085 nan 8.290 nan 0.000 0.528 429 E N -0.768 119.038 120.200 -0.656 0.000 2.340 429 E HA 0.679 5.029 4.350 -0.000 0.000 0.273 429 E C -1.068 175.362 176.600 -0.284 0.000 0.891 429 E CA -1.429 54.803 56.400 -0.281 0.000 0.757 429 E CB 1.225 30.844 29.700 -0.135 0.000 1.231 429 E HN 0.040 nan 8.360 nan 0.000 0.439 430 F N 1.495 121.475 119.950 0.050 0.000 2.438 430 F HA 0.346 4.873 4.527 -0.000 0.000 0.356 430 F C 0.259 176.021 175.800 -0.063 0.000 1.099 430 F CA -0.230 57.787 58.000 0.028 0.000 1.185 430 F CB 1.586 40.558 39.000 -0.047 0.000 1.115 430 F HN 0.371 nan 8.300 nan 0.000 0.526 431 V N -0.127 119.844 119.914 0.095 0.000 2.971 431 V HA 0.525 4.644 4.120 -0.000 0.000 0.309 431 V C -0.758 175.360 176.094 0.039 0.000 1.130 431 V CA -1.207 61.111 62.300 0.031 0.000 0.964 431 V CB 1.789 33.606 31.823 -0.010 0.000 1.029 431 V HN 0.444 nan 8.190 nan 0.000 0.427 432 D N 1.967 122.387 120.400 0.033 0.000 2.368 432 D HA 0.565 5.204 4.640 -0.000 0.000 0.240 432 D C 0.645 176.979 176.300 0.057 0.000 1.169 432 D CA 0.692 54.725 54.000 0.055 0.000 0.906 432 D CB 1.758 42.594 40.800 0.060 0.000 1.187 432 D HN 1.127 nan 8.370 nan 0.000 0.435 433 A N 1.049 123.915 122.820 0.076 0.000 2.327 433 A HA 0.061 4.381 4.320 -0.000 0.000 0.255 433 A C 0.595 178.212 177.584 0.056 0.000 1.099 433 A CA -0.309 51.770 52.037 0.071 0.000 0.801 433 A CB 0.088 19.144 19.000 0.093 0.000 1.062 433 A HN 0.610 nan 8.150 nan 0.000 0.496 434 E N -0.273 119.955 120.200 0.048 0.000 2.465 434 E HA 0.264 4.614 4.350 -0.000 0.000 0.260 434 E C 1.188 177.814 176.600 0.042 0.000 0.980 434 E CA 0.992 57.416 56.400 0.039 0.000 0.927 434 E CB -0.061 29.660 29.700 0.034 0.000 0.934 434 E HN 1.457 nan 8.360 nan 0.000 0.459 435 G N 3.497 112.319 108.800 0.037 0.000 2.166 435 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.260 435 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.260 435 G C 0.453 175.379 174.900 0.045 0.000 0.986 435 G CA 0.571 45.693 45.100 0.037 0.000 0.683 435 G HN 0.860 nan 8.290 nan 0.000 0.527 436 S N -1.630 114.101 115.700 0.052 0.000 3.521 436 S HA -0.224 4.246 4.470 -0.000 0.000 0.362 436 S C 0.857 175.502 174.600 0.075 0.000 1.044 436 S CA 1.975 60.214 58.200 0.065 0.000 1.091 436 S CB -0.673 62.562 63.200 0.059 0.000 0.908 436 S HN 1.060 nan 8.310 nan 0.000 0.473 437 K N 1.911 122.358 120.400 0.078 0.000 2.414 437 K HA 0.437 4.757 4.320 -0.000 0.000 0.272 437 K C 0.896 177.571 176.600 0.125 0.000 0.993 437 K CA 0.708 57.050 56.287 0.091 0.000 0.964 437 K CB 0.492 33.044 32.500 0.087 0.000 0.925 437 K HN 0.511 nan 8.250 nan 0.000 0.487 438 T N -1.123 113.512 114.554 0.136 0.000 2.812 438 T HA 0.658 5.008 4.350 -0.000 0.000 0.294 438 T C -1.339 173.498 174.700 0.229 0.000 1.159 438 T CA -0.993 61.200 62.100 0.155 0.000 1.008 438 T CB 0.849 69.760 68.868 0.071 0.000 1.289 438 T HN 0.603 nan 8.240 nan 0.000 0.514 439 Y N -1.096 119.231 120.300 0.045 0.000 2.655 439 Y HA 0.789 5.339 4.550 -0.000 0.000 0.336 439 Y C -1.323 174.593 175.900 0.027 0.000 1.154 439 Y CA -1.419 56.699 58.100 0.031 0.000 1.055 439 Y CB 0.860 39.336 38.460 0.028 0.000 1.295 439 Y HN 0.578 nan 8.280 nan 0.000 0.465 440 N N 0.753 119.486 118.700 0.055 0.000 2.456 440 N HA 0.334 5.074 4.740 -0.000 0.000 0.288 440 N C -1.097 174.394 175.510 -0.031 0.000 1.059 440 N CA -0.415 52.606 53.050 -0.049 0.000 0.946 440 N CB 1.904 40.406 38.487 0.025 0.000 1.150 440 N HN 0.768 nan 8.380 nan 0.000 0.479 441 T N 2.076 116.565 114.554 -0.108 0.000 2.829 441 T HA 0.548 4.898 4.350 -0.000 0.000 0.282 441 T C -0.379 174.335 174.700 0.022 0.000 0.990 441 T CA -0.654 61.436 62.100 -0.016 0.000 1.028 441 T CB 0.251 69.091 68.868 -0.048 0.000 0.951 441 T HN 0.174 nan 8.240 nan 0.000 0.460 442 I N 4.797 125.406 120.570 0.064 0.000 2.441 442 I HA 0.370 4.540 4.170 -0.000 0.000 0.295 442 I C 0.327 176.499 176.117 0.091 0.000 0.994 442 I CA -1.142 60.212 61.300 0.091 0.000 1.144 442 I CB 1.478 39.572 38.000 0.157 0.000 1.314 442 I HN 0.623 nan 8.210 nan 0.000 0.445 443 N N 8.665 127.400 118.700 0.058 0.000 2.408 443 N HA 0.224 4.964 4.740 -0.000 0.000 0.257 443 N C -1.817 173.694 175.510 0.001 0.000 1.064 443 N CA -1.814 51.250 53.050 0.022 0.000 0.952 443 N CB 1.574 40.056 38.487 -0.008 0.000 1.093 443 N HN 0.296 nan 8.380 nan 0.000 0.490 444 P HA -0.010 nan 4.420 nan 0.000 0.237 444 P C 0.717 177.839 177.300 -0.296 0.000 1.178 444 P CA 0.752 63.826 63.100 -0.043 0.000 0.766 444 P CB 0.341 32.081 31.700 0.065 0.000 0.876 445 T N 0.524 114.979 114.554 -0.165 0.000 2.942 445 T HA -0.069 4.281 4.350 -0.000 0.000 0.265 445 T C 1.034 175.718 174.700 -0.027 0.000 1.062 445 T CA 1.833 63.913 62.100 -0.032 0.000 1.139 445 T CB -0.326 68.567 68.868 0.043 0.000 0.883 445 T HN 0.347 nan 8.240 nan 0.000 0.468 446 D N -1.253 119.064 120.400 -0.138 0.000 2.525 446 D HA 0.259 4.899 4.640 -0.000 0.000 0.231 446 D C 1.333 177.503 176.300 -0.216 0.000 1.216 446 D CA 0.546 54.459 54.000 -0.144 0.000 0.813 446 D CB -0.435 40.324 40.800 -0.069 0.000 1.108 446 D HN 0.316 nan 8.370 nan 0.000 0.524 447 G N 0.713 109.323 108.800 -0.316 0.000 2.184 447 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.264 447 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.264 447 G C 0.481 175.382 174.900 0.003 0.000 0.975 447 G CA 0.628 45.626 45.100 -0.170 0.000 0.642 447 G HN 0.933 nan 8.290 nan 0.000 0.536 448 S N -0.889 114.797 115.700 -0.024 0.000 2.614 448 S HA 0.652 5.122 4.470 -0.000 0.000 0.265 448 S C 0.423 175.032 174.600 0.015 0.000 1.303 448 S CA -0.249 57.950 58.200 -0.001 0.000 1.000 448 S CB 2.275 65.464 63.200 -0.018 0.000 0.935 448 S HN 0.969 nan 8.310 nan 0.000 0.551 449 V N 2.859 122.778 119.914 0.009 0.000 2.488 449 V HA 0.151 4.271 4.120 -0.000 0.000 0.277 449 V C 1.202 177.286 176.094 -0.017 0.000 1.046 449 V CA -0.186 62.114 62.300 0.001 0.000 0.986 449 V CB 0.235 32.053 31.823 -0.008 0.000 0.989 449 V HN 0.906 nan 8.190 nan 0.000 0.475 450 I N 4.036 124.594 120.570 -0.020 0.000 2.235 450 I HA 0.011 4.180 4.170 -0.000 0.000 0.241 450 I C 0.996 177.079 176.117 -0.056 0.000 1.085 450 I CA 1.342 62.624 61.300 -0.029 0.000 1.378 450 I CB 0.103 38.093 38.000 -0.017 0.000 1.076 450 I HN 0.876 nan 8.210 nan 0.000 0.415 451 C N -2.105 117.147 119.300 -0.080 0.000 3.211 451 C HA 0.494 4.954 4.460 -0.000 0.000 0.350 451 C C -1.432 173.460 174.990 -0.163 0.000 1.413 451 C CA -1.279 57.661 59.018 -0.129 0.000 1.203 451 C CB 0.896 28.549 27.740 -0.146 0.000 1.506 451 C HN 0.174 nan 8.230 nan 0.000 0.448 452 Q N 0.583 120.257 119.800 -0.210 0.000 2.243 452 Q HA 0.765 5.105 4.340 -0.000 0.000 0.252 452 Q C -0.484 175.410 176.000 -0.177 0.000 0.909 452 Q CA -0.243 55.438 55.803 -0.203 0.000 0.922 452 Q CB 1.679 30.325 28.738 -0.153 0.000 1.215 452 Q HN 0.662 nan 8.270 nan 0.000 0.427 453 V N 1.626 121.380 119.914 -0.267 0.000 2.680 453 V HA 0.411 4.531 4.120 -0.000 0.000 0.309 453 V C -0.277 175.799 176.094 -0.030 0.000 1.052 453 V CA -0.927 61.283 62.300 -0.148 0.000 0.908 453 V CB 2.269 33.852 31.823 -0.400 0.000 1.001 453 V HN 0.827 nan 8.190 nan 0.000 0.431 454 S N 3.558 119.350 115.700 0.153 0.000 2.558 454 S HA 0.234 4.704 4.470 -0.000 0.000 0.287 454 S C -0.303 174.469 174.600 0.286 0.000 1.321 454 S CA 0.003 58.317 58.200 0.191 0.000 1.048 454 S CB 0.279 63.576 63.200 0.162 0.000 0.844 454 S HN 0.539 nan 8.310 nan 0.000 0.512 455 L N 3.397 124.779 121.223 0.265 0.000 2.324 455 L HA 0.595 4.935 4.340 -0.000 0.000 0.274 455 L C 0.135 177.090 176.870 0.142 0.000 1.012 455 L CA -0.274 54.722 54.840 0.261 0.000 0.859 455 L CB 0.319 42.525 42.059 0.245 0.000 1.224 455 L HN 0.720 nan 8.230 nan 0.000 0.429 456 A N 4.193 127.088 122.820 0.124 0.000 2.511 456 A HA 0.470 4.790 4.320 -0.000 0.000 0.242 456 A C -0.044 177.576 177.584 0.060 0.000 1.069 456 A CA -0.109 51.980 52.037 0.086 0.000 0.763 456 A CB 0.105 19.155 19.000 0.082 0.000 1.001 456 A HN 0.707 nan 8.150 nan 0.000 0.498 457 Q N 1.196 121.028 119.800 0.053 0.000 2.297 457 Q HA 0.357 4.696 4.340 -0.000 0.000 0.269 457 Q C 1.514 177.538 176.000 0.041 0.000 1.051 457 Q CA -0.798 55.030 55.803 0.042 0.000 0.869 457 Q CB 1.200 29.962 28.738 0.039 0.000 1.346 457 Q HN 0.431 nan 8.270 nan 0.000 0.457 458 V N 1.112 121.049 119.914 0.038 0.000 2.313 458 V HA -0.324 3.796 4.120 -0.000 0.000 0.253 458 V C 2.151 178.275 176.094 0.049 0.000 1.070 458 V CA 2.760 65.087 62.300 0.044 0.000 1.057 458 V CB -0.861 30.984 31.823 0.035 0.000 0.653 458 V HN 0.920 nan 8.190 nan 0.000 0.450 459 S N -0.744 114.979 115.700 0.039 0.000 2.453 459 S HA -0.186 4.284 4.470 -0.000 0.000 0.231 459 S C 1.568 176.188 174.600 0.034 0.000 1.005 459 S CA 1.306 59.529 58.200 0.037 0.000 0.949 459 S CB -0.412 62.805 63.200 0.028 0.000 0.774 459 S HN 0.659 nan 8.310 nan 0.000 0.510 460 D N 1.638 122.058 120.400 0.033 0.000 2.149 460 D HA -0.012 4.628 4.640 -0.000 0.000 0.201 460 D C 2.146 178.459 176.300 0.022 0.000 0.972 460 D CA 1.027 55.042 54.000 0.025 0.000 0.835 460 D CB -0.348 40.473 40.800 0.035 0.000 0.966 460 D HN 0.369 nan 8.370 nan 0.000 0.476 461 V N 1.992 121.928 119.914 0.038 0.000 2.343 461 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 461 V C 1.928 178.040 176.094 0.029 0.000 1.051 461 V CA 1.732 64.055 62.300 0.037 0.000 1.036 461 V CB -0.432 31.430 31.823 0.066 0.000 0.654 461 V HN 0.033 nan 8.190 nan 0.000 0.451 462 D N -0.023 120.426 120.400 0.081 0.000 2.144 462 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 462 D C 2.243 178.567 176.300 0.041 0.000 0.984 462 D CA 1.126 55.201 54.000 0.125 0.000 0.834 462 D CB -0.191 40.694 40.800 0.143 0.000 0.955 462 D HN 0.420 nan 8.370 nan 0.000 0.465 463 K N 0.634 121.042 120.400 0.014 0.000 2.026 463 K HA -0.058 4.262 4.320 -0.000 0.000 0.208 463 K C 2.145 178.713 176.600 -0.053 0.000 1.048 463 K CA 1.195 57.472 56.287 -0.018 0.000 0.929 463 K CB -0.087 32.400 32.500 -0.022 0.000 0.713 463 K HN 0.019 nan 8.250 nan 0.000 0.439 464 A N 0.898 123.682 122.820 -0.059 0.000 1.858 464 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 464 A C 2.361 179.883 177.584 -0.104 0.000 1.190 464 A CA 1.643 53.630 52.037 -0.084 0.000 0.617 464 A CB -0.805 18.160 19.000 -0.058 0.000 0.827 464 A HN 0.083 nan 8.150 nan 0.000 0.443 465 V N -0.142 119.686 119.914 -0.144 0.000 2.332 465 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 465 V C 3.007 179.016 176.094 -0.141 0.000 1.055 465 V CA 2.011 64.173 62.300 -0.229 0.000 1.038 465 V CB -1.220 30.245 31.823 -0.598 0.000 0.651 465 V HN 0.627 nan 8.190 nan 0.000 0.450 466 A N -0.276 122.495 122.820 -0.082 0.000 1.968 466 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 466 A C 2.396 179.961 177.584 -0.031 0.000 1.169 466 A CA 1.732 53.752 52.037 -0.028 0.000 0.638 466 A CB -0.581 18.421 19.000 0.002 0.000 0.812 466 A HN 0.545 nan 8.150 nan 0.000 0.446 467 A N 0.047 122.832 122.820 -0.059 0.000 1.873 467 A HA 0.199 4.519 4.320 -0.000 0.000 0.215 467 A C 2.506 180.059 177.584 -0.052 0.000 1.186 467 A CA 1.925 53.920 52.037 -0.071 0.000 0.616 467 A CB -1.034 17.893 19.000 -0.122 0.000 0.823 467 A HN 0.999 nan 8.150 nan 0.000 0.442 468 A N -0.083 122.702 122.820 -0.058 0.000 1.902 468 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 468 A C 2.142 179.751 177.584 0.042 0.000 1.181 468 A CA 2.112 54.132 52.037 -0.029 0.000 0.623 468 A CB -0.484 18.484 19.000 -0.055 0.000 0.818 468 A HN 0.576 nan 8.150 nan 0.000 0.443 469 K N -0.409 120.007 120.400 0.026 0.000 2.057 469 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 469 K C 2.040 178.721 176.600 0.134 0.000 1.049 469 K CA 1.834 58.172 56.287 0.085 0.000 0.931 469 K CB -0.134 32.394 32.500 0.047 0.000 0.714 469 K HN 0.421 nan 8.250 nan 0.000 0.440 470 E N 0.517 120.761 120.200 0.074 0.000 2.072 470 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 470 E C 1.659 178.305 176.600 0.075 0.000 0.985 470 E CA 1.469 57.907 56.400 0.063 0.000 0.801 470 E CB -0.265 29.449 29.700 0.023 0.000 0.750 470 E HN 0.381 nan 8.360 nan 0.000 0.452 471 A N 0.046 122.907 122.820 0.070 0.000 1.908 471 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 471 A C 2.224 179.914 177.584 0.176 0.000 1.181 471 A CA 1.594 53.681 52.037 0.083 0.000 0.627 471 A CB -1.028 17.986 19.000 0.023 0.000 0.818 471 A HN 0.487 nan 8.150 nan 0.000 0.445 472 F N 0.563 120.561 119.950 0.080 0.000 2.113 472 F HA -0.087 4.440 4.527 -0.000 0.000 0.297 472 F C 2.229 178.090 175.800 0.102 0.000 1.103 472 F CA 2.149 60.228 58.000 0.132 0.000 1.248 472 F CB -0.132 38.932 39.000 0.108 0.000 0.999 472 F HN 0.335 nan 8.300 nan 0.000 0.475 473 E N -0.723 119.547 120.200 0.116 0.000 2.170 473 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 473 E C 1.141 177.719 176.600 -0.037 0.000 0.981 473 E CA 0.879 57.289 56.400 0.017 0.000 0.830 473 E CB 0.041 29.819 29.700 0.131 0.000 0.775 473 E HN 0.423 nan 8.360 nan 0.000 0.470 474 N N -0.484 118.216 118.700 0.001 0.000 2.211 474 N HA 0.058 4.797 4.740 -0.000 0.000 0.216 474 N C 0.522 176.035 175.510 0.006 0.000 1.240 474 N CA 0.234 53.284 53.050 -0.001 0.000 0.895 474 N CB 1.117 39.612 38.487 0.014 0.000 1.102 474 N HN -0.025 nan 8.380 nan 0.000 0.498 475 G N 0.889 109.706 108.800 0.027 0.000 2.580 475 G HA2 0.285 4.245 3.960 -0.000 0.000 0.278 475 G HA3 0.285 4.245 3.960 -0.000 0.000 0.278 475 G C 1.036 175.975 174.900 0.064 0.000 1.212 475 G CA -0.437 44.692 45.100 0.049 0.000 0.939 475 G HN 0.039 nan 8.290 nan 0.000 0.513 476 L N -0.249 121.026 121.223 0.087 0.000 2.079 476 L HA -0.053 4.287 4.340 -0.000 0.000 0.210 476 L C 2.283 179.240 176.870 0.145 0.000 1.081 476 L CA 1.555 56.451 54.840 0.093 0.000 0.752 476 L CB -0.508 41.613 42.059 0.102 0.000 0.896 476 L HN 0.774 nan 8.230 nan 0.000 0.433 477 W N 0.019 121.310 121.300 -0.014 0.000 2.331 477 W HA -0.183 4.477 4.660 -0.000 0.000 0.291 477 W C 1.698 178.190 176.519 -0.045 0.000 1.214 477 W CA 1.230 58.574 57.345 -0.002 0.000 1.228 477 W CB -0.160 29.320 29.460 0.034 0.000 1.135 477 W HN 0.396 nan 8.180 nan 0.000 0.537 478 G N -0.174 108.636 108.800 0.018 0.000 2.880 478 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.209 478 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.209 478 G C 1.391 176.190 174.900 -0.169 0.000 1.157 478 G CA 0.145 45.126 45.100 -0.198 0.000 0.779 478 G HN 0.212 nan 8.290 nan 0.000 0.539 479 K N -0.182 120.158 120.400 -0.100 0.000 2.370 479 K HA 0.259 4.579 4.320 -0.000 0.000 0.194 479 K C 1.023 177.575 176.600 -0.080 0.000 1.070 479 K CA -0.252 55.988 56.287 -0.079 0.000 0.998 479 K CB 0.487 32.962 32.500 -0.041 0.000 0.911 479 K HN 0.470 nan 8.250 nan 0.000 0.533 480 I N 0.553 121.065 120.570 -0.097 0.000 2.779 480 I HA 0.103 4.273 4.170 -0.000 0.000 0.285 480 I C -0.250 175.795 176.117 -0.121 0.000 1.134 480 I CA -0.801 60.442 61.300 -0.094 0.000 1.398 480 I CB 0.332 38.278 38.000 -0.090 0.000 1.404 480 I HN -0.078 nan 8.210 nan 0.000 0.587 481 N N 3.323 121.974 118.700 -0.081 0.000 2.395 481 N HA -0.004 4.735 4.740 -0.000 0.000 0.246 481 N C 1.064 176.512 175.510 -0.103 0.000 1.246 481 N CA 0.609 53.616 53.050 -0.072 0.000 0.879 481 N CB 1.024 39.488 38.487 -0.038 0.000 1.098 481 N HN 0.877 nan 8.380 nan 0.000 0.444 482 A N 2.989 125.756 122.820 -0.088 0.000 1.948 482 A HA -0.249 4.070 4.320 -0.000 0.000 0.220 482 A C 2.193 179.747 177.584 -0.050 0.000 1.177 482 A CA 1.802 53.788 52.037 -0.085 0.000 0.636 482 A CB -0.404 18.575 19.000 -0.035 0.000 0.815 482 A HN 0.788 nan 8.150 nan 0.000 0.449 483 R N -0.477 120.013 120.500 -0.018 0.000 2.096 483 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 483 R C 1.266 177.584 176.300 0.030 0.000 1.127 483 R CA 1.842 57.954 56.100 0.021 0.000 0.968 483 R CB -0.269 30.044 30.300 0.021 0.000 0.861 483 R HN 0.470 nan 8.270 nan 0.000 0.440 484 D N -0.162 120.235 120.400 -0.005 0.000 2.149 484 D HA -0.133 4.506 4.640 -0.000 0.000 0.201 484 D C 1.803 178.094 176.300 -0.014 0.000 0.972 484 D CA 0.686 54.689 54.000 0.006 0.000 0.835 484 D CB -0.244 40.551 40.800 -0.007 0.000 0.966 484 D HN 0.247 nan 8.370 nan 0.000 0.476 485 R N 0.765 121.187 120.500 -0.130 0.000 2.083 485 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 485 R C 2.256 178.536 176.300 -0.033 0.000 1.137 485 R CA 1.743 57.693 56.100 -0.249 0.000 0.951 485 R CB -0.545 29.448 30.300 -0.510 0.000 0.851 485 R HN 0.188 nan 8.270 nan 0.000 0.434 486 G N 0.622 109.421 108.800 -0.002 0.000 2.446 486 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.217 486 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.217 486 G C 1.443 176.430 174.900 0.146 0.000 1.168 486 G CA 0.585 45.696 45.100 0.018 0.000 0.771 486 G HN 0.319 nan 8.290 nan 0.000 0.551 487 R N -0.238 120.416 120.500 0.257 0.000 2.091 487 R HA 0.008 4.348 4.340 -0.000 0.000 0.238 487 R C 2.650 179.107 176.300 0.262 0.000 1.136 487 R CA 1.037 57.332 56.100 0.325 0.000 0.959 487 R CB -0.507 29.902 30.300 0.181 0.000 0.856 487 R HN 0.362 nan 8.270 nan 0.000 0.437 488 L N 0.491 121.839 121.223 0.208 0.000 2.093 488 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 488 L C 2.370 179.376 176.870 0.227 0.000 1.085 488 L CA 1.078 56.052 54.840 0.222 0.000 0.755 488 L CB -0.349 41.894 42.059 0.306 0.000 0.904 488 L HN 0.192 nan 8.230 nan 0.000 0.435 489 L N -1.951 119.417 121.223 0.241 0.000 2.109 489 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 489 L C 2.505 179.493 176.870 0.196 0.000 1.086 489 L CA 1.256 56.241 54.840 0.242 0.000 0.760 489 L CB -0.602 41.623 42.059 0.277 0.000 0.910 489 L HN 0.162 nan 8.230 nan 0.000 0.437 490 Y N -0.061 120.352 120.300 0.190 0.000 2.145 490 Y HA -0.316 4.234 4.550 -0.000 0.000 0.286 490 Y C 2.941 178.909 175.900 0.113 0.000 1.145 490 Y CA 1.297 59.486 58.100 0.148 0.000 1.148 490 Y CB -0.182 38.339 38.460 0.101 0.000 0.981 490 Y HN 0.053 nan 8.280 nan 0.000 0.507 491 R N 0.728 121.389 120.500 0.268 0.000 2.091 491 R HA -0.200 4.140 4.340 -0.000 0.000 0.238 491 R C 2.069 178.427 176.300 0.096 0.000 1.136 491 R CA 1.458 57.652 56.100 0.156 0.000 0.959 491 R CB -1.034 29.339 30.300 0.122 0.000 0.856 491 R HN 0.364 nan 8.270 nan 0.000 0.437 492 L N 0.281 121.540 121.223 0.060 0.000 2.012 492 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 492 L C 2.144 178.981 176.870 -0.055 0.000 1.073 492 L CA 2.378 57.175 54.840 -0.072 0.000 0.748 492 L CB -1.197 40.748 42.059 -0.190 0.000 0.891 492 L HN 0.288 nan 8.230 nan 0.000 0.431 493 A N -0.857 122.000 122.820 0.062 0.000 1.908 493 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 493 A C 2.008 179.674 177.584 0.137 0.000 1.181 493 A CA 2.002 54.129 52.037 0.150 0.000 0.627 493 A CB -0.896 18.272 19.000 0.279 0.000 0.818 493 A HN 0.568 nan 8.150 nan 0.000 0.445 494 D N -0.365 120.115 120.400 0.135 0.000 2.117 494 D HA -0.095 4.545 4.640 -0.000 0.000 0.197 494 D C 2.082 178.448 176.300 0.109 0.000 0.987 494 D CA 1.420 55.489 54.000 0.116 0.000 0.829 494 D CB -0.475 40.388 40.800 0.104 0.000 0.961 494 D HN 0.219 nan 8.370 nan 0.000 0.460 495 V N 1.029 120.997 119.914 0.090 0.000 2.343 495 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 495 V C 2.499 178.690 176.094 0.162 0.000 1.051 495 V CA 1.407 63.777 62.300 0.116 0.000 1.036 495 V CB -0.439 31.391 31.823 0.012 0.000 0.654 495 V HN 0.205 nan 8.190 nan 0.000 0.451 496 M N -0.427 119.217 119.600 0.074 0.000 2.108 496 M HA -0.236 4.244 4.480 -0.000 0.000 0.261 496 M C 2.250 178.647 176.300 0.161 0.000 1.066 496 M CA 2.124 57.488 55.300 0.107 0.000 1.107 496 M CB -0.526 32.134 32.600 0.099 0.000 1.356 496 M HN 0.390 nan 8.290 nan 0.000 0.406 497 E N 0.563 120.849 120.200 0.144 0.000 2.072 497 E HA -0.233 4.117 4.350 -0.000 0.000 0.191 497 E C 1.935 178.600 176.600 0.108 0.000 0.985 497 E CA 1.230 57.704 56.400 0.123 0.000 0.801 497 E CB 0.033 29.798 29.700 0.108 0.000 0.750 497 E HN 0.550 nan 8.360 nan 0.000 0.452 498 Q N -0.818 119.052 119.800 0.117 0.000 2.297 498 Q HA -0.169 4.170 4.340 -0.000 0.000 0.208 498 Q C 0.681 176.632 176.000 -0.082 0.000 0.981 498 Q CA 1.341 57.160 55.803 0.028 0.000 0.876 498 Q CB -0.016 28.738 28.738 0.026 0.000 0.921 498 Q HN 0.422 nan 8.270 nan 0.000 0.446 499 H N -0.921 118.169 119.070 0.034 0.000 2.486 499 H HA 0.060 4.616 4.556 -0.000 0.000 0.284 499 H C 1.271 176.631 175.328 0.053 0.000 1.103 499 H CA -0.110 55.958 56.048 0.034 0.000 1.089 499 H CB 0.341 30.117 29.762 0.024 0.000 1.603 499 H HN 0.304 nan 8.280 nan 0.000 0.557 500 Q N 0.419 120.304 119.800 0.141 0.000 2.084 500 Q HA -0.168 4.171 4.340 -0.000 0.000 0.202 500 Q C 0.810 176.879 176.000 0.114 0.000 0.978 500 Q CA 1.684 57.558 55.803 0.118 0.000 0.844 500 Q CB 0.061 28.852 28.738 0.088 0.000 0.898 500 Q HN 0.337 nan 8.270 nan 0.000 0.426 501 E N 1.527 121.804 120.200 0.127 0.000 2.072 501 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 501 E C 1.846 178.572 176.600 0.209 0.000 0.985 501 E CA 1.455 57.980 56.400 0.210 0.000 0.801 501 E CB -0.096 29.712 29.700 0.179 0.000 0.750 501 E HN 0.565 nan 8.360 nan 0.000 0.452 502 E N 0.514 120.796 120.200 0.137 0.000 2.058 502 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 502 E C 1.942 178.619 176.600 0.129 0.000 0.997 502 E CA 0.991 57.461 56.400 0.118 0.000 0.801 502 E CB -0.084 29.684 29.700 0.112 0.000 0.746 502 E HN 0.201 nan 8.360 nan 0.000 0.450 503 L N 0.279 121.586 121.223 0.139 0.000 2.046 503 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 503 L C 2.658 179.594 176.870 0.109 0.000 1.077 503 L CA 1.130 56.044 54.840 0.122 0.000 0.747 503 L CB -0.453 41.684 42.059 0.129 0.000 0.896 503 L HN 0.219 nan 8.230 nan 0.000 0.432 504 A N -0.633 122.251 122.820 0.106 0.000 1.972 504 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 504 A C 2.342 180.036 177.584 0.183 0.000 1.169 504 A CA 2.168 54.235 52.037 0.051 0.000 0.635 504 A CB -0.753 18.150 19.000 -0.163 0.000 0.810 504 A HN 0.406 nan 8.150 nan 0.000 0.446 505 T N 0.242 114.957 114.554 0.268 0.000 2.812 505 T HA -0.021 4.329 4.350 -0.000 0.000 0.264 505 T C 1.792 176.551 174.700 0.098 0.000 1.042 505 T CA 1.316 63.536 62.100 0.199 0.000 1.140 505 T CB -0.377 68.552 68.868 0.101 0.000 0.870 505 T HN 0.427 nan 8.240 nan 0.000 0.445 506 I N 1.056 121.678 120.570 0.086 0.000 2.163 506 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 506 I C 2.717 178.868 176.117 0.056 0.000 1.085 506 I CA 1.387 62.726 61.300 0.064 0.000 1.347 506 I CB -0.327 37.716 38.000 0.071 0.000 1.044 506 I HN 0.188 nan 8.210 nan 0.000 0.408 507 E N 0.947 121.179 120.200 0.054 0.000 2.110 507 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 507 E C 2.153 178.738 176.600 -0.025 0.000 0.988 507 E CA 1.453 57.864 56.400 0.018 0.000 0.804 507 E CB -0.135 29.558 29.700 -0.011 0.000 0.745 507 E HN 0.465 nan 8.360 nan 0.000 0.458 508 A N 0.236 123.053 122.820 -0.005 0.000 1.902 508 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 508 A C 2.219 179.800 177.584 -0.006 0.000 1.181 508 A CA 1.181 53.214 52.037 -0.008 0.000 0.623 508 A CB -0.649 18.391 19.000 0.067 0.000 0.818 508 A HN 0.299 nan 8.150 nan 0.000 0.443 509 L N -0.868 120.362 121.223 0.011 0.000 2.017 509 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 509 L C 2.357 179.235 176.870 0.012 0.000 1.073 509 L CA 1.944 56.788 54.840 0.007 0.000 0.745 509 L CB -0.471 41.595 42.059 0.012 0.000 0.894 509 L HN 0.374 nan 8.230 nan 0.000 0.432 510 D N -0.877 119.539 120.400 0.026 0.000 2.213 510 D HA -0.030 4.610 4.640 -0.000 0.000 0.205 510 D C 1.571 177.902 176.300 0.051 0.000 0.961 510 D CA 1.116 55.142 54.000 0.043 0.000 0.853 510 D CB 0.433 41.268 40.800 0.058 0.000 0.967 510 D HN 0.237 nan 8.370 nan 0.000 0.496 511 A N -1.503 121.339 122.820 0.037 0.000 2.456 511 A HA 0.554 4.873 4.320 -0.000 0.000 0.237 511 A C 1.606 179.188 177.584 -0.003 0.000 1.217 511 A CA 0.717 52.786 52.037 0.054 0.000 0.962 511 A CB 0.345 19.400 19.000 0.091 0.000 1.079 511 A HN 0.250 nan 8.150 nan 0.000 0.536 512 G N -0.739 108.033 108.800 -0.046 0.000 2.148 512 G HA2 0.082 4.042 3.960 -0.000 0.000 0.254 512 G HA3 0.082 4.042 3.960 -0.000 0.000 0.254 512 G C 0.512 175.331 174.900 -0.134 0.000 0.981 512 G CA 0.333 45.367 45.100 -0.109 0.000 0.670 512 G HN 1.714 nan 8.290 nan 0.000 0.528 513 A N 0.097 122.826 122.820 -0.152 0.000 2.524 513 A HA 0.566 4.886 4.320 -0.000 0.000 0.250 513 A C 0.990 178.462 177.584 -0.187 0.000 1.078 513 A CA 0.421 52.296 52.037 -0.270 0.000 0.761 513 A CB 0.578 19.185 19.000 -0.654 0.000 1.012 513 A HN 1.266 nan 8.150 nan 0.000 0.500 514 V N 4.526 124.348 119.914 -0.152 0.000 2.540 514 V HA -0.135 3.985 4.120 -0.000 0.000 0.297 514 V C 1.361 177.430 176.094 -0.042 0.000 1.024 514 V CA 0.748 63.012 62.300 -0.060 0.000 1.105 514 V CB -0.494 31.301 31.823 -0.046 0.000 0.938 514 V HN 0.990 nan 8.190 nan 0.000 0.482 515 Y N 4.911 125.166 120.300 -0.075 0.000 2.151 515 Y HA -0.322 4.228 4.550 -0.000 0.000 0.284 515 Y C 2.586 178.467 175.900 -0.031 0.000 1.166 515 Y CA 2.533 60.598 58.100 -0.058 0.000 1.163 515 Y CB -0.217 38.223 38.460 -0.034 0.000 0.974 515 Y HN 0.833 nan 8.280 nan 0.000 0.511 516 T N -1.269 113.273 114.554 -0.020 0.000 2.867 516 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 516 T C 1.962 176.604 174.700 -0.097 0.000 1.057 516 T CA 1.397 63.448 62.100 -0.081 0.000 1.136 516 T CB -0.935 67.964 68.868 0.051 0.000 0.874 516 T HN 0.524 nan 8.240 nan 0.000 0.466 517 L N 0.817 122.002 121.223 -0.064 0.000 2.072 517 L HA 0.172 4.512 4.340 -0.000 0.000 0.205 517 L C 2.942 179.814 176.870 0.004 0.000 1.079 517 L CA 1.398 56.230 54.840 -0.014 0.000 0.752 517 L CB -0.764 41.256 42.059 -0.065 0.000 0.906 517 L HN 0.344 nan 8.230 nan 0.000 0.436 518 A N -0.143 122.586 122.820 -0.152 0.000 1.933 518 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 518 A C 2.150 179.668 177.584 -0.109 0.000 1.175 518 A CA 1.795 53.720 52.037 -0.187 0.000 0.628 518 A CB -0.835 17.945 19.000 -0.367 0.000 0.814 518 A HN 0.460 nan 8.150 nan 0.000 0.444 519 L N -0.217 120.837 121.223 -0.282 0.000 2.046 519 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 519 L C 2.352 179.191 176.870 -0.052 0.000 1.077 519 L CA 2.499 57.202 54.840 -0.229 0.000 0.747 519 L CB -0.470 41.358 42.059 -0.386 0.000 0.896 519 L HN 0.481 nan 8.230 nan 0.000 0.432 520 K N -2.354 118.038 120.400 -0.014 0.000 2.076 520 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 520 K C 1.486 178.144 176.600 0.097 0.000 1.051 520 K CA 1.618 57.935 56.287 0.050 0.000 0.949 520 K CB 0.136 32.674 32.500 0.064 0.000 0.726 520 K HN 0.351 nan 8.250 nan 0.000 0.443 521 T N -1.038 113.606 114.554 0.150 0.000 3.348 521 T HA 0.048 4.398 4.350 -0.000 0.000 0.233 521 T C 1.365 176.141 174.700 0.126 0.000 0.960 521 T CA 0.346 62.544 62.100 0.163 0.000 1.343 521 T CB -0.508 68.531 68.868 0.285 0.000 1.068 521 T HN 0.182 nan 8.240 nan 0.000 0.410 522 H N 0.791 119.894 119.070 0.055 0.000 2.321 522 H HA -0.044 4.512 4.556 -0.000 0.000 0.295 522 H C 2.135 177.484 175.328 0.034 0.000 1.102 522 H CA 1.769 57.845 56.048 0.046 0.000 1.266 522 H CB -0.553 29.251 29.762 0.070 0.000 1.363 522 H HN 0.095 nan 8.280 nan 0.000 0.492 523 V N -0.950 119.073 119.914 0.181 0.000 2.492 523 V HA 0.042 4.162 4.120 -0.000 0.000 0.241 523 V C 2.589 178.760 176.094 0.129 0.000 1.041 523 V CA 1.357 63.737 62.300 0.133 0.000 1.057 523 V CB -0.737 31.141 31.823 0.091 0.000 0.711 523 V HN 0.599 nan 8.190 nan 0.000 0.468 524 G N -0.693 108.170 108.800 0.106 0.000 2.418 524 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 524 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 524 G C 1.640 176.614 174.900 0.124 0.000 1.158 524 G CA 1.031 46.193 45.100 0.103 0.000 0.771 524 G HN 0.353 nan 8.290 nan 0.000 0.545 525 M N 0.870 120.543 119.600 0.121 0.000 2.229 525 M HA -0.048 4.432 4.480 -0.000 0.000 0.264 525 M C 2.685 179.112 176.300 0.212 0.000 1.063 525 M CA 1.141 56.529 55.300 0.147 0.000 1.114 525 M CB -0.016 32.671 32.600 0.145 0.000 1.387 525 M HN 0.250 nan 8.290 nan 0.000 0.420 526 S N 0.910 116.733 115.700 0.206 0.000 2.382 526 S HA -0.124 4.346 4.470 -0.000 0.000 0.228 526 S C 1.669 176.503 174.600 0.391 0.000 1.027 526 S CA 1.240 59.610 58.200 0.283 0.000 0.991 526 S CB -0.415 62.928 63.200 0.239 0.000 0.823 526 S HN 0.465 nan 8.310 nan 0.000 0.469 527 I N 1.664 122.414 120.570 0.300 0.000 2.202 527 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 527 I C 2.745 179.037 176.117 0.293 0.000 1.091 527 I CA 1.203 62.683 61.300 0.300 0.000 1.368 527 I CB -0.420 37.704 38.000 0.206 0.000 1.058 527 I HN 0.298 nan 8.210 nan 0.000 0.410 528 Q N 0.082 120.013 119.800 0.218 0.000 2.112 528 Q HA -0.221 4.119 4.340 -0.000 0.000 0.206 528 Q C 2.237 178.360 176.000 0.205 0.000 0.987 528 Q CA 2.312 58.222 55.803 0.179 0.000 0.858 528 Q CB -0.388 28.415 28.738 0.107 0.000 0.905 528 Q HN 0.543 nan 8.270 nan 0.000 0.420 529 T N 0.588 115.276 114.554 0.224 0.000 2.708 529 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 529 T C 1.471 176.321 174.700 0.252 0.000 1.037 529 T CA 1.299 63.531 62.100 0.220 0.000 1.146 529 T CB -0.409 68.591 68.868 0.219 0.000 0.865 529 T HN 0.187 nan 8.240 nan 0.000 0.435 530 F N 1.314 121.440 119.950 0.293 0.000 2.171 530 F HA 0.005 4.532 4.527 -0.000 0.000 0.300 530 F C 2.684 178.585 175.800 0.168 0.000 1.090 530 F CA 1.014 59.168 58.000 0.257 0.000 1.293 530 F CB -0.251 38.886 39.000 0.229 0.000 1.013 530 F HN -0.038 nan 8.300 nan 0.000 0.486 531 R N -1.225 119.472 120.500 0.328 0.000 2.075 531 R HA -0.207 4.133 4.340 -0.000 0.000 0.232 531 R C 2.099 178.465 176.300 0.110 0.000 1.126 531 R CA 1.662 57.898 56.100 0.227 0.000 0.963 531 R CB -0.813 29.660 30.300 0.289 0.000 0.858 531 R HN 0.317 nan 8.270 nan 0.000 0.435 532 Y N 0.640 120.935 120.300 -0.009 0.000 2.070 532 Y HA -0.255 4.295 4.550 -0.000 0.000 0.280 532 Y C 1.829 177.607 175.900 -0.204 0.000 1.148 532 Y CA 1.657 59.656 58.100 -0.168 0.000 1.125 532 Y CB -0.439 37.844 38.460 -0.295 0.000 0.975 532 Y HN -0.117 nan 8.280 nan 0.000 0.492 533 F N 0.036 120.041 119.950 0.091 0.000 2.234 533 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 533 F C 2.596 178.367 175.800 -0.048 0.000 1.087 533 F CA 1.079 59.116 58.000 0.062 0.000 1.340 533 F CB -1.224 37.828 39.000 0.087 0.000 1.031 533 F HN 0.172 nan 8.300 nan 0.000 0.500 534 A N 0.406 123.205 122.820 -0.036 0.000 1.917 534 A HA -0.177 4.142 4.320 -0.000 0.000 0.219 534 A C 2.567 179.891 177.584 -0.434 0.000 1.182 534 A CA 1.954 53.759 52.037 -0.385 0.000 0.633 534 A CB -1.618 16.778 19.000 -1.007 0.000 0.819 534 A HN 0.409 nan 8.150 nan 0.000 0.448 535 G N -2.697 105.880 108.800 -0.372 0.000 2.509 535 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 535 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 535 G C 1.295 176.033 174.900 -0.269 0.000 1.124 535 G CA 0.657 45.630 45.100 -0.211 0.000 0.776 535 G HN 0.691 nan 8.290 nan 0.000 0.547 536 W N -0.111 121.070 121.300 -0.199 0.000 2.518 536 W HA 0.033 4.692 4.660 -0.000 0.000 0.273 536 W C 2.551 179.047 176.519 -0.040 0.000 1.247 536 W CA -0.024 57.247 57.345 -0.123 0.000 1.288 536 W CB -0.130 29.282 29.460 -0.081 0.000 1.107 536 W HN 0.143 nan 8.180 nan 0.000 0.586 537 C N 0.838 120.251 119.300 0.187 0.000 2.376 537 C HA -0.262 4.198 4.460 -0.000 0.000 0.275 537 C C 1.992 177.043 174.990 0.102 0.000 1.200 537 C CA 1.916 61.006 59.018 0.120 0.000 1.756 537 C CB -1.286 26.478 27.740 0.039 0.000 2.050 537 C HN 0.472 nan 8.230 nan 0.000 0.460 538 D N -0.166 120.281 120.400 0.079 0.000 2.325 538 D HA 0.004 4.643 4.640 -0.000 0.000 0.225 538 D C 1.038 177.388 176.300 0.083 0.000 1.096 538 D CA 0.356 54.394 54.000 0.062 0.000 0.844 538 D CB -0.612 40.210 40.800 0.036 0.000 0.925 538 D HN 0.492 nan 8.370 nan 0.000 0.513 539 K N -0.013 120.479 120.400 0.153 0.000 2.374 539 K HA 0.292 4.612 4.320 -0.000 0.000 0.202 539 K C 0.320 177.141 176.600 0.368 0.000 1.040 539 K CA -0.324 56.090 56.287 0.212 0.000 1.085 539 K CB 1.176 33.723 32.500 0.078 0.000 0.873 539 K HN 0.123 nan 8.250 nan 0.000 0.539 540 I N 2.649 123.386 120.570 0.278 0.000 2.436 540 I HA 0.003 4.173 4.170 -0.000 0.000 0.289 540 I C -0.148 176.033 176.117 0.107 0.000 1.083 540 I CA 0.342 61.739 61.300 0.162 0.000 1.372 540 I CB 0.528 38.589 38.000 0.101 0.000 1.408 540 I HN 0.052 nan 8.210 nan 0.000 0.516 541 Q N 4.226 124.078 119.800 0.087 0.000 2.372 541 Q HA 0.529 4.869 4.340 -0.000 0.000 0.273 541 Q C 0.067 176.094 176.000 0.046 0.000 1.078 541 Q CA -0.710 55.134 55.803 0.069 0.000 0.806 541 Q CB 2.645 31.432 28.738 0.082 0.000 1.332 541 Q HN 0.765 nan 8.270 nan 0.000 0.435 542 G N 0.478 109.303 108.800 0.041 0.000 2.695 542 G HA2 0.796 4.756 3.960 -0.000 0.000 0.213 542 G HA3 0.796 4.756 3.960 -0.000 0.000 0.213 542 G C -1.103 173.819 174.900 0.035 0.000 1.406 542 G CA -0.168 44.952 45.100 0.035 0.000 1.049 542 G HN 0.630 nan 8.290 nan 0.000 0.573 543 A N -1.310 121.532 122.820 0.035 0.000 2.479 543 A HA 0.820 5.139 4.320 -0.000 0.000 0.296 543 A C -0.176 177.431 177.584 0.039 0.000 1.121 543 A CA -0.051 52.006 52.037 0.034 0.000 0.743 543 A CB 1.476 20.493 19.000 0.029 0.000 1.323 543 A HN 1.418 nan 8.150 nan 0.000 0.415 544 T N -0.743 113.832 114.554 0.034 0.000 2.829 544 T HA 0.749 5.099 4.350 -0.000 0.000 0.280 544 T C -0.574 174.148 174.700 0.035 0.000 0.999 544 T CA -0.337 61.786 62.100 0.038 0.000 0.983 544 T CB 0.561 69.445 68.868 0.026 0.000 0.968 544 T HN 0.471 nan 8.240 nan 0.000 0.446 545 I N 4.103 124.698 120.570 0.043 0.000 2.465 545 I HA 0.381 4.551 4.170 -0.000 0.000 0.291 545 I C -2.173 173.966 176.117 0.037 0.000 1.014 545 I CA -2.786 58.535 61.300 0.036 0.000 1.093 545 I CB 2.866 40.888 38.000 0.037 0.000 1.267 545 I HN 0.501 nan 8.210 nan 0.000 0.431 546 P HA 0.156 nan 4.420 nan 0.000 0.231 546 P C -0.258 177.055 177.300 0.022 0.000 1.811 546 P CA -0.235 62.880 63.100 0.025 0.000 1.051 546 P CB -0.379 31.332 31.700 0.018 0.000 1.951 547 I N -0.941 119.646 120.570 0.028 0.000 2.882 547 I HA 0.256 4.426 4.170 -0.000 0.000 0.286 547 I C 0.167 176.292 176.117 0.013 0.000 1.139 547 I CA -0.413 60.901 61.300 0.022 0.000 1.379 547 I CB -0.337 37.682 38.000 0.030 0.000 1.410 547 I HN -0.057 nan 8.210 nan 0.000 0.594 548 N N 3.745 122.449 118.700 0.006 0.000 2.353 548 N HA -0.010 4.730 4.740 -0.000 0.000 0.248 548 N C -0.184 175.322 175.510 -0.007 0.000 1.240 548 N CA 0.145 53.194 53.050 -0.002 0.000 0.862 548 N CB 0.245 38.730 38.487 -0.003 0.000 1.086 548 N HN 0.481 nan 8.380 nan 0.000 0.453 549 Q N 0.666 120.455 119.800 -0.018 0.000 2.271 549 Q HA 0.395 4.735 4.340 -0.000 0.000 0.258 549 Q C -0.470 175.507 176.000 -0.039 0.000 0.936 549 Q CA -0.592 55.189 55.803 -0.036 0.000 0.909 549 Q CB 1.489 30.197 28.738 -0.050 0.000 1.253 549 Q HN 0.598 nan 8.270 nan 0.000 0.440 550 A N 4.566 127.358 122.820 -0.045 0.000 3.026 550 A HA 0.113 4.433 4.320 -0.000 0.000 0.272 550 A C 0.229 177.784 177.584 -0.049 0.000 1.782 550 A CA -0.353 51.661 52.037 -0.038 0.000 1.451 550 A CB -0.243 18.738 19.000 -0.031 0.000 1.081 550 A HN 0.352 nan 8.150 nan 0.000 0.611 551 R N 1.779 122.252 120.500 -0.044 0.000 2.640 551 R HA 0.100 4.440 4.340 -0.000 0.000 0.270 551 R C -1.409 174.870 176.300 -0.035 0.000 1.024 551 R CA -1.415 54.658 56.100 -0.044 0.000 1.085 551 R CB -0.076 30.203 30.300 -0.034 0.000 0.963 551 R HN 0.483 nan 8.270 nan 0.000 0.426 552 P HA 0.011 nan 4.420 nan 0.000 0.245 552 P C -0.490 176.771 177.300 -0.064 0.000 1.212 552 P CA 0.245 63.320 63.100 -0.041 0.000 0.774 552 P CB 0.417 32.100 31.700 -0.029 0.000 0.999 553 N N 1.180 119.833 118.700 -0.079 0.000 2.413 553 N HA 0.255 4.995 4.740 -0.000 0.000 0.266 553 N C 0.386 175.771 175.510 -0.209 0.000 1.238 553 N CA -0.314 52.658 53.050 -0.129 0.000 0.972 553 N CB 1.106 39.534 38.487 -0.099 0.000 1.210 553 N HN 0.038 nan 8.380 nan 0.000 0.547 554 R N 0.196 120.454 120.500 -0.404 0.000 2.832 554 R HA 0.446 4.786 4.340 -0.000 0.000 0.271 554 R C -0.795 175.183 176.300 -0.536 0.000 0.996 554 R CA -0.694 55.066 56.100 -0.568 0.000 0.977 554 R CB 1.156 30.860 30.300 -0.993 0.000 1.168 554 R HN 0.581 nan 8.270 nan 0.000 0.482 555 N N 0.553 119.104 118.700 -0.248 0.000 2.238 555 N HA 0.416 5.156 4.740 -0.000 0.000 0.302 555 N C -1.815 173.803 175.510 0.180 0.000 1.072 555 N CA -0.712 52.346 53.050 0.014 0.000 0.792 555 N CB 2.020 40.525 38.487 0.030 0.000 1.425 555 N HN 0.207 nan 8.380 nan 0.000 0.478 556 L N 1.203 122.626 121.223 0.333 0.000 2.356 556 L HA 0.658 4.998 4.340 -0.000 0.000 0.277 556 L C -1.138 175.906 176.870 0.290 0.000 0.996 556 L CA -0.015 54.976 54.840 0.253 0.000 0.822 556 L CB 1.803 43.925 42.059 0.105 0.000 1.256 556 L HN 0.500 nan 8.230 nan 0.000 0.413 557 T N 6.391 121.057 114.554 0.187 0.000 2.812 557 T HA 0.733 5.083 4.350 -0.000 0.000 0.282 557 T C -0.751 174.032 174.700 0.138 0.000 0.990 557 T CA -0.329 61.874 62.100 0.173 0.000 0.960 557 T CB 1.140 70.072 68.868 0.107 0.000 0.948 557 T HN 0.620 nan 8.240 nan 0.000 0.438 558 L N 0.856 122.174 121.223 0.159 0.000 2.327 558 L HA 1.008 5.347 4.340 -0.000 0.000 0.258 558 L C -0.020 176.902 176.870 0.087 0.000 1.024 558 L CA -0.909 54.000 54.840 0.115 0.000 0.825 558 L CB 1.494 43.632 42.059 0.131 0.000 1.386 558 L HN 0.592 nan 8.230 nan 0.000 0.417 559 T N -1.511 113.081 114.554 0.063 0.000 2.856 559 T HA 0.652 5.002 4.350 -0.000 0.000 0.283 559 T C -0.484 174.245 174.700 0.047 0.000 1.008 559 T CA -0.791 61.338 62.100 0.047 0.000 0.997 559 T CB 1.631 70.518 68.868 0.033 0.000 0.992 559 T HN 0.700 nan 8.240 nan 0.000 0.454 560 K N 2.164 122.589 120.400 0.042 0.000 2.244 560 K HA 0.356 4.676 4.320 -0.000 0.000 0.260 560 K C -0.645 175.977 176.600 0.035 0.000 0.951 560 K CA -0.736 55.576 56.287 0.041 0.000 0.826 560 K CB 1.501 34.026 32.500 0.042 0.000 1.108 560 K HN 0.594 nan 8.250 nan 0.000 0.433 561 K N 3.432 123.853 120.400 0.036 0.000 2.227 561 K HA 0.265 4.585 4.320 -0.000 0.000 0.280 561 K C -0.271 176.358 176.600 0.048 0.000 1.041 561 K CA -0.250 56.058 56.287 0.036 0.000 0.905 561 K CB 1.247 33.766 32.500 0.030 0.000 1.068 561 K HN 0.575 nan 8.250 nan 0.000 0.470 562 E N 2.790 123.025 120.200 0.059 0.000 2.336 562 E HA 0.362 4.712 4.350 -0.000 0.000 0.267 562 E C -2.526 174.143 176.600 0.115 0.000 0.906 562 E CA -2.295 54.157 56.400 0.086 0.000 0.781 562 E CB 2.004 31.756 29.700 0.088 0.000 1.261 562 E HN 0.227 nan 8.360 nan 0.000 0.436 563 P HA -0.071 nan 4.420 nan 0.000 0.272 563 P C 0.834 178.221 177.300 0.144 0.000 1.223 563 P CA -0.103 63.127 63.100 0.216 0.000 0.784 563 P CB 0.585 32.543 31.700 0.430 0.000 0.923 564 V N -0.527 119.419 119.914 0.054 0.000 2.649 564 V HA 0.308 4.428 4.120 -0.000 0.000 0.248 564 V C 1.023 176.982 176.094 -0.224 0.000 1.054 564 V CA 1.630 63.910 62.300 -0.034 0.000 1.073 564 V CB -1.443 30.371 31.823 -0.015 0.000 0.699 564 V HN 0.854 nan 8.190 nan 0.000 0.463 565 G N -0.308 108.195 108.800 -0.496 0.000 2.317 565 G HA2 -0.060 3.899 3.960 -0.000 0.000 0.196 565 G HA3 -0.060 3.899 3.960 -0.000 0.000 0.196 565 G C -0.587 173.935 174.900 -0.630 0.000 1.255 565 G CA -0.335 44.075 45.100 -1.150 0.000 1.243 565 G HN 0.732 nan 8.290 nan 0.000 0.535 566 V N 0.948 120.615 119.914 -0.411 0.000 2.521 566 V HA 0.407 4.527 4.120 -0.000 0.000 0.286 566 V C 0.715 176.752 176.094 -0.096 0.000 1.034 566 V CA -0.001 62.188 62.300 -0.185 0.000 1.045 566 V CB 0.196 31.939 31.823 -0.134 0.000 0.974 566 V HN 0.850 nan 8.190 nan 0.000 0.480 567 C N 3.942 123.223 119.300 -0.031 0.000 2.454 567 C HA 0.858 5.318 4.460 -0.000 0.000 0.336 567 C C 0.822 175.836 174.990 0.039 0.000 1.189 567 C CA -0.748 58.294 59.018 0.040 0.000 1.877 567 C CB 1.228 29.057 27.740 0.149 0.000 2.348 567 C HN 1.029 nan 8.230 nan 0.000 0.508 568 G N 1.285 110.122 108.800 0.060 0.000 2.416 568 G HA2 0.737 4.697 3.960 -0.000 0.000 0.324 568 G HA3 0.737 4.697 3.960 -0.000 0.000 0.324 568 G C -1.140 173.821 174.900 0.102 0.000 1.194 568 G CA -0.267 44.870 45.100 0.062 0.000 0.922 568 G HN 0.696 nan 8.290 nan 0.000 0.467 569 I N 1.730 122.358 120.570 0.096 0.000 2.436 569 I HA 0.373 4.543 4.170 -0.000 0.000 0.289 569 I C -0.702 175.475 176.117 0.100 0.000 1.010 569 I CA -0.952 60.412 61.300 0.107 0.000 1.098 569 I CB 2.518 40.568 38.000 0.084 0.000 1.266 569 I HN 0.083 nan 8.210 nan 0.000 0.434 570 V N 7.229 127.216 119.914 0.123 0.000 2.443 570 V HA 0.530 4.650 4.120 -0.000 0.000 0.293 570 V C -0.164 175.946 176.094 0.027 0.000 1.021 570 V CA -0.459 61.925 62.300 0.139 0.000 0.848 570 V CB 1.766 33.765 31.823 0.294 0.000 0.998 570 V HN 0.557 nan 8.190 nan 0.000 0.424 571 I N 3.805 124.362 120.570 -0.022 0.000 3.002 571 I HA 0.833 5.003 4.170 -0.000 0.000 0.310 571 I C -2.622 173.415 176.117 -0.134 0.000 1.087 571 I CA -2.412 58.811 61.300 -0.128 0.000 1.017 571 I CB 2.622 40.568 38.000 -0.090 0.000 1.226 571 I HN 0.376 nan 8.210 nan 0.000 0.443 572 P HA 0.228 nan 4.420 nan 0.000 0.321 572 P C -0.265 176.932 177.300 -0.173 0.000 1.304 572 P CA -0.174 62.748 63.100 -0.296 0.000 0.759 572 P CB 0.738 32.118 31.700 -0.534 0.000 1.385 573 W N -0.088 121.195 121.300 -0.028 0.000 3.103 573 W HA 0.091 4.751 4.660 -0.000 0.000 0.325 573 W C 0.996 177.503 176.519 -0.019 0.000 1.170 573 W CA 0.160 57.495 57.345 -0.016 0.000 1.712 573 W CB -1.467 27.977 29.460 -0.027 0.000 1.068 573 W HN 0.224 nan 8.180 nan 0.000 0.592 574 N N 1.842 120.400 118.700 -0.237 0.000 2.188 574 N HA -0.217 4.523 4.740 -0.000 0.000 0.184 574 N C -0.297 174.975 175.510 -0.397 0.000 1.018 574 N CA 1.007 53.894 53.050 -0.271 0.000 0.858 574 N CB -1.089 37.067 38.487 -0.551 0.000 0.989 574 N HN 0.233 nan 8.380 nan 0.000 0.426 575 Y N -0.139 120.075 120.300 -0.143 0.000 2.662 575 Y HA 0.411 4.961 4.550 -0.000 0.000 0.358 575 Y C -1.813 173.997 175.900 -0.149 0.000 1.041 575 Y CA -1.995 55.971 58.100 -0.224 0.000 1.184 575 Y CB 2.111 40.275 38.460 -0.494 0.000 1.114 575 Y HN -0.038 nan 8.280 nan 0.000 0.650 576 P HA -0.230 nan 4.420 nan 0.000 0.214 576 P C 1.774 179.079 177.300 0.008 0.000 1.163 576 P CA 1.153 64.293 63.100 0.066 0.000 0.889 576 P CB 0.476 32.244 31.700 0.115 0.000 0.790 577 L N -1.786 119.461 121.223 0.041 0.000 2.109 577 L HA 0.004 4.343 4.340 -0.000 0.000 0.207 577 L C 2.373 179.185 176.870 -0.097 0.000 1.086 577 L CA 1.738 56.571 54.840 -0.013 0.000 0.760 577 L CB -1.057 41.039 42.059 0.062 0.000 0.910 577 L HN -0.124 nan 8.230 nan 0.000 0.437 578 M N -1.791 117.716 119.600 -0.156 0.000 2.132 578 M HA -0.188 4.292 4.480 -0.000 0.000 0.263 578 M C 2.009 177.911 176.300 -0.663 0.000 1.065 578 M CA 1.476 56.545 55.300 -0.385 0.000 1.122 578 M CB 0.031 32.295 32.600 -0.559 0.000 1.365 578 M HN 0.262 nan 8.290 nan 0.000 0.411 579 M N 0.065 119.345 119.600 -0.534 0.000 2.117 579 M HA -0.183 4.297 4.480 -0.000 0.000 0.262 579 M C 2.233 178.409 176.300 -0.207 0.000 1.065 579 M CA 1.543 56.583 55.300 -0.432 0.000 1.114 579 M CB -1.514 30.925 32.600 -0.267 0.000 1.361 579 M HN 0.433 nan 8.290 nan 0.000 0.408 580 L N -0.377 120.741 121.223 -0.174 0.000 2.046 580 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 580 L C 2.399 179.179 176.870 -0.150 0.000 1.077 580 L CA 1.422 56.171 54.840 -0.150 0.000 0.747 580 L CB -0.227 41.712 42.059 -0.200 0.000 0.896 580 L HN 0.196 nan 8.230 nan 0.000 0.432 581 S N -0.760 114.860 115.700 -0.134 0.000 2.355 581 S HA -0.169 4.301 4.470 -0.000 0.000 0.222 581 S C 1.453 176.013 174.600 -0.066 0.000 1.031 581 S CA 1.319 59.481 58.200 -0.063 0.000 0.993 581 S CB -0.488 62.792 63.200 0.134 0.000 0.859 581 S HN 0.552 nan 8.310 nan 0.000 0.453 582 W N 2.295 123.494 121.300 -0.168 0.000 2.302 582 W HA -0.125 4.535 4.660 -0.000 0.000 0.320 582 W C 2.258 178.653 176.519 -0.207 0.000 1.241 582 W CA 0.898 58.170 57.345 -0.121 0.000 1.264 582 W CB -0.909 28.523 29.460 -0.047 0.000 1.154 582 W HN 0.338 nan 8.180 nan 0.000 0.483 583 K N -1.456 118.989 120.400 0.075 0.000 2.076 583 K HA -0.028 4.292 4.320 -0.000 0.000 0.204 583 K C 1.892 178.335 176.600 -0.262 0.000 1.051 583 K CA 1.723 57.992 56.287 -0.030 0.000 0.949 583 K CB -0.761 31.788 32.500 0.082 0.000 0.726 583 K HN 0.018 nan 8.250 nan 0.000 0.443 584 T N 1.526 115.963 114.554 -0.195 0.000 2.777 584 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 584 T C 2.083 176.633 174.700 -0.250 0.000 1.040 584 T CA 1.306 63.312 62.100 -0.156 0.000 1.141 584 T CB -0.208 68.682 68.868 0.037 0.000 0.868 584 T HN 0.289 nan 8.240 nan 0.000 0.444 585 A N 1.565 124.066 122.820 -0.533 0.000 1.877 585 A HA 0.159 4.479 4.320 -0.000 0.000 0.216 585 A C 2.653 179.922 177.584 -0.524 0.000 1.186 585 A CA 1.822 53.477 52.037 -0.635 0.000 0.620 585 A CB -1.128 17.333 19.000 -0.898 0.000 0.822 585 A HN 0.505 nan 8.150 nan 0.000 0.443 586 A N -1.173 121.070 122.820 -0.961 0.000 1.898 586 A HA -0.180 4.139 4.320 -0.000 0.000 0.216 586 A C 2.402 179.540 177.584 -0.744 0.000 1.181 586 A CA 1.630 52.987 52.037 -1.133 0.000 0.620 586 A CB -1.424 16.899 19.000 -1.128 0.000 0.819 586 A HN 0.800 nan 8.150 nan 0.000 0.442 587 C N -0.308 118.381 119.300 -1.018 0.000 2.413 587 C HA -0.076 4.383 4.460 -0.000 0.000 0.276 587 C C 2.621 177.477 174.990 -0.224 0.000 1.236 587 C CA 1.337 59.791 59.018 -0.940 0.000 1.735 587 C CB -1.477 25.774 27.740 -0.814 0.000 2.031 587 C HN 0.579 nan 8.230 nan 0.000 0.474 588 L N 0.997 122.195 121.223 -0.043 0.000 2.109 588 L HA 0.017 4.357 4.340 -0.000 0.000 0.207 588 L C 3.031 180.109 176.870 0.347 0.000 1.086 588 L CA 1.358 56.386 54.840 0.313 0.000 0.760 588 L CB -0.929 41.367 42.059 0.394 0.000 0.910 588 L HN 0.418 nan 8.230 nan 0.000 0.437 589 A N 0.509 123.426 122.820 0.161 0.000 1.978 589 A HA -0.143 4.176 4.320 -0.000 0.000 0.220 589 A C 2.412 180.061 177.584 0.108 0.000 1.170 589 A CA 1.686 53.814 52.037 0.150 0.000 0.636 589 A CB -0.539 18.578 19.000 0.195 0.000 0.810 589 A HN 0.391 nan 8.150 nan 0.000 0.448 590 A N -1.967 120.902 122.820 0.082 0.000 2.206 590 A HA 0.385 4.705 4.320 -0.000 0.000 0.211 590 A C 1.803 179.468 177.584 0.135 0.000 1.158 590 A CA 1.311 53.408 52.037 0.099 0.000 0.761 590 A CB -0.872 18.197 19.000 0.115 0.000 0.801 590 A HN 1.917 nan 8.150 nan 0.000 0.473 591 G N -0.991 107.918 108.800 0.182 0.000 2.141 591 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.231 591 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.231 591 G C -0.074 175.148 174.900 0.537 0.000 0.984 591 G CA 0.042 45.261 45.100 0.198 0.000 0.660 591 G HN 0.488 nan 8.290 nan 0.000 0.525 592 N N 0.710 119.698 118.700 0.480 0.000 2.408 592 N HA 0.572 5.312 4.740 -0.000 0.000 0.260 592 N C 0.664 176.416 175.510 0.403 0.000 1.242 592 N CA 0.760 54.036 53.050 0.377 0.000 0.959 592 N CB 1.055 39.636 38.487 0.157 0.000 1.201 592 N HN 0.551 nan 8.380 nan 0.000 0.511 593 T N -3.104 111.574 114.554 0.206 0.000 2.950 593 T HA 0.663 5.013 4.350 -0.000 0.000 0.288 593 T C -0.277 174.421 174.700 -0.003 0.000 1.035 593 T CA -0.759 61.369 62.100 0.048 0.000 1.028 593 T CB 1.527 70.435 68.868 0.066 0.000 1.109 593 T HN 0.212 nan 8.240 nan 0.000 0.514 594 V N 0.922 120.820 119.914 -0.027 0.000 2.932 594 V HA 0.644 4.763 4.120 -0.000 0.000 0.307 594 V C -1.439 174.656 176.094 0.002 0.000 1.147 594 V CA -0.744 61.554 62.300 -0.002 0.000 0.951 594 V CB 2.324 34.156 31.823 0.015 0.000 1.031 594 V HN 0.986 nan 8.190 nan 0.000 0.426 595 V N 7.364 127.283 119.914 0.007 0.000 2.384 595 V HA 0.561 4.681 4.120 -0.000 0.000 0.287 595 V C -0.158 175.965 176.094 0.049 0.000 1.020 595 V CA -0.396 61.915 62.300 0.017 0.000 0.850 595 V CB 1.433 33.246 31.823 -0.016 0.000 0.987 595 V HN 0.679 nan 8.190 nan 0.000 0.436 596 I N 4.795 125.409 120.570 0.073 0.000 2.412 596 I HA 0.496 4.666 4.170 -0.000 0.000 0.296 596 I C 0.134 176.302 176.117 0.085 0.000 0.987 596 I CA -0.554 60.795 61.300 0.081 0.000 1.180 596 I CB 1.595 39.651 38.000 0.093 0.000 1.340 596 I HN 0.338 nan 8.210 nan 0.000 0.455 597 K N 8.011 128.460 120.400 0.081 0.000 2.464 597 K HA 0.442 4.762 4.320 -0.000 0.000 0.252 597 K C -2.600 174.049 176.600 0.081 0.000 1.000 597 K CA -1.899 54.439 56.287 0.086 0.000 0.951 597 K CB 1.561 34.113 32.500 0.086 0.000 1.183 597 K HN 0.213 nan 8.250 nan 0.000 0.445 598 P HA 0.082 nan 4.420 nan 0.000 0.274 598 P C -0.500 176.857 177.300 0.095 0.000 1.237 598 P CA -0.445 62.706 63.100 0.085 0.000 0.793 598 P CB 0.610 32.374 31.700 0.107 0.000 0.977 599 A N 1.639 124.520 122.820 0.101 0.000 2.531 599 A HA -0.048 4.272 4.320 -0.000 0.000 0.236 599 A C 1.725 179.372 177.584 0.106 0.000 1.062 599 A CA 0.040 52.151 52.037 0.125 0.000 0.760 599 A CB -0.527 18.610 19.000 0.229 0.000 0.995 599 A HN 0.689 nan 8.150 nan 0.000 0.501 600 Q N 1.167 120.991 119.800 0.040 0.000 2.096 600 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 600 Q C 1.772 177.827 176.000 0.091 0.000 0.982 600 Q CA 2.373 58.164 55.803 -0.019 0.000 0.850 600 Q CB -0.315 28.284 28.738 -0.232 0.000 0.901 600 Q HN 0.984 nan 8.270 nan 0.000 0.422 601 V N -1.903 118.001 119.914 -0.017 0.000 3.141 601 V HA -0.015 4.104 4.120 -0.000 0.000 0.265 601 V C 0.964 177.086 176.094 0.047 0.000 1.126 601 V CA 1.282 63.550 62.300 -0.054 0.000 1.141 601 V CB -0.508 31.055 31.823 -0.433 0.000 0.743 601 V HN 0.395 nan 8.190 nan 0.000 0.492 602 T N -2.093 112.528 114.554 0.111 0.000 3.418 602 T HA 0.484 4.834 4.350 -0.000 0.000 0.315 602 T C -1.731 173.055 174.700 0.142 0.000 1.447 602 T CA -0.714 61.464 62.100 0.131 0.000 1.641 602 T CB 1.425 70.389 68.868 0.160 0.000 0.904 602 T HN 0.373 nan 8.240 nan 0.000 0.640 603 P HA 0.278 nan 4.420 nan 0.000 0.257 603 P C 1.386 178.765 177.300 0.133 0.000 1.241 603 P CA -0.205 62.991 63.100 0.160 0.000 0.816 603 P CB 0.423 32.246 31.700 0.205 0.000 1.150 604 L N 0.295 121.584 121.223 0.110 0.000 2.072 604 L HA -0.078 4.262 4.340 -0.000 0.000 0.205 604 L C 2.615 179.549 176.870 0.106 0.000 1.079 604 L CA 2.278 57.177 54.840 0.099 0.000 0.752 604 L CB -1.582 40.522 42.059 0.075 0.000 0.906 604 L HN 0.065 nan 8.230 nan 0.000 0.436 605 T N -2.136 112.482 114.554 0.106 0.000 2.867 605 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 605 T C 1.958 176.744 174.700 0.144 0.000 1.057 605 T CA 0.882 63.051 62.100 0.116 0.000 1.136 605 T CB -0.375 68.559 68.868 0.109 0.000 0.874 605 T HN 0.307 nan 8.240 nan 0.000 0.466 606 A N 1.906 124.805 122.820 0.132 0.000 1.908 606 A HA 0.102 4.421 4.320 -0.000 0.000 0.218 606 A C 2.399 180.111 177.584 0.214 0.000 1.181 606 A CA 1.407 53.540 52.037 0.160 0.000 0.627 606 A CB -0.895 18.182 19.000 0.128 0.000 0.818 606 A HN 0.545 nan 8.150 nan 0.000 0.445 607 L N -1.261 120.071 121.223 0.182 0.000 2.156 607 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 607 L C 2.500 179.464 176.870 0.157 0.000 1.095 607 L CA 1.467 56.432 54.840 0.209 0.000 0.770 607 L CB -0.307 41.885 42.059 0.221 0.000 0.914 607 L HN 0.310 nan 8.230 nan 0.000 0.439 608 K N 0.741 121.210 120.400 0.116 0.000 2.057 608 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 608 K C 2.004 178.619 176.600 0.026 0.000 1.050 608 K CA 1.410 57.734 56.287 0.062 0.000 0.935 608 K CB -0.489 32.049 32.500 0.064 0.000 0.715 608 K HN 0.126 nan 8.250 nan 0.000 0.439 609 F N 0.856 120.770 119.950 -0.061 0.000 2.120 609 F HA -0.210 4.317 4.527 -0.000 0.000 0.300 609 F C 1.806 177.488 175.800 -0.197 0.000 1.095 609 F CA 1.869 59.802 58.000 -0.111 0.000 1.249 609 F CB -0.688 38.280 39.000 -0.053 0.000 0.995 609 F HN 0.084 nan 8.300 nan 0.000 0.480 610 A N -0.025 122.635 122.820 -0.266 0.000 1.908 610 A HA -0.265 4.054 4.320 -0.000 0.000 0.218 610 A C 2.295 179.366 177.584 -0.856 0.000 1.181 610 A CA 1.872 53.435 52.037 -0.790 0.000 0.627 610 A CB -1.084 17.312 19.000 -1.007 0.000 0.818 610 A HN 0.620 nan 8.150 nan 0.000 0.445 611 E N -0.121 119.898 120.200 -0.303 0.000 2.110 611 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 611 E C 1.868 178.333 176.600 -0.225 0.000 0.988 611 E CA 0.939 57.285 56.400 -0.090 0.000 0.804 611 E CB -0.177 29.562 29.700 0.066 0.000 0.745 611 E HN 0.666 nan 8.360 nan 0.000 0.458 612 L N 0.738 121.751 121.223 -0.351 0.000 2.201 612 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 612 L C 2.839 179.471 176.870 -0.397 0.000 1.105 612 L CA 1.530 56.135 54.840 -0.392 0.000 0.775 612 L CB -0.844 40.958 42.059 -0.428 0.000 0.913 612 L HN 0.322 nan 8.230 nan 0.000 0.440 613 T N -2.046 112.188 114.554 -0.534 0.000 2.867 613 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 613 T C 1.835 176.419 174.700 -0.193 0.000 1.057 613 T CA 0.819 62.669 62.100 -0.416 0.000 1.136 613 T CB -0.401 68.187 68.868 -0.467 0.000 0.874 613 T HN 0.243 nan 8.240 nan 0.000 0.466 614 L N 0.346 121.485 121.223 -0.140 0.000 2.056 614 L HA 0.019 4.359 4.340 -0.000 0.000 0.207 614 L C 2.995 179.849 176.870 -0.027 0.000 1.078 614 L CA 1.459 56.284 54.840 -0.025 0.000 0.749 614 L CB -0.471 41.615 42.059 0.045 0.000 0.901 614 L HN 0.222 nan 8.230 nan 0.000 0.433 615 K N 0.283 120.649 120.400 -0.057 0.000 2.148 615 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 615 K C 2.028 178.617 176.600 -0.019 0.000 1.050 615 K CA 1.244 57.516 56.287 -0.025 0.000 0.942 615 K CB -0.198 32.282 32.500 -0.034 0.000 0.724 615 K HN 0.271 nan 8.250 nan 0.000 0.446 616 A N 0.518 123.305 122.820 -0.056 0.000 2.208 616 A HA 0.155 4.474 4.320 -0.000 0.000 0.209 616 A C 1.389 178.981 177.584 0.014 0.000 1.161 616 A CA 0.813 52.836 52.037 -0.023 0.000 0.782 616 A CB -0.361 18.601 19.000 -0.063 0.000 0.816 616 A HN 0.403 nan 8.150 nan 0.000 0.477 617 G N -0.495 108.310 108.800 0.008 0.000 2.147 617 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.244 617 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.244 617 G C -0.015 174.918 174.900 0.054 0.000 1.005 617 G CA 0.090 45.212 45.100 0.037 0.000 0.713 617 G HN 0.333 nan 8.290 nan 0.000 0.515 618 I N 1.237 121.813 120.570 0.010 0.000 2.587 618 I HA 0.164 4.334 4.170 -0.000 0.000 0.284 618 I C -1.359 174.737 176.117 -0.034 0.000 1.134 618 I CA -2.298 58.989 61.300 -0.022 0.000 1.410 618 I CB -0.100 37.809 38.000 -0.151 0.000 1.392 618 I HN -0.065 nan 8.210 nan 0.000 0.545 619 P HA 0.013 nan 4.420 nan 0.000 0.265 619 P C -0.467 176.790 177.300 -0.073 0.000 1.187 619 P CA -0.308 62.795 63.100 0.006 0.000 0.766 619 P CB 0.313 32.068 31.700 0.092 0.000 0.820 620 K N 1.675 122.036 120.400 -0.064 0.000 2.489 620 K HA 0.301 4.621 4.320 -0.000 0.000 0.278 620 K C 1.031 177.545 176.600 -0.144 0.000 1.000 620 K CA 0.143 56.355 56.287 -0.125 0.000 1.012 620 K CB -0.578 31.849 32.500 -0.122 0.000 0.903 620 K HN 0.702 nan 8.250 nan 0.000 0.485 621 G N 1.209 109.883 108.800 -0.210 0.000 2.234 621 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.235 621 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.235 621 G C 0.761 175.565 174.900 -0.161 0.000 0.997 621 G CA 0.101 45.098 45.100 -0.173 0.000 0.623 621 G HN 0.434 nan 8.290 nan 0.000 0.514 622 V N 0.140 119.924 119.914 -0.216 0.000 2.379 622 V HA 0.129 4.249 4.120 -0.000 0.000 0.245 622 V C 1.478 177.439 176.094 -0.221 0.000 1.044 622 V CA 1.926 64.021 62.300 -0.343 0.000 1.036 622 V CB 0.156 31.541 31.823 -0.730 0.000 0.664 622 V HN 0.350 nan 8.190 nan 0.000 0.453 623 V N 1.522 121.367 119.914 -0.114 0.000 2.540 623 V HA 0.497 4.616 4.120 -0.000 0.000 0.302 623 V C -0.726 175.431 176.094 0.106 0.000 1.035 623 V CA -0.703 61.623 62.300 0.044 0.000 0.873 623 V CB 1.786 33.681 31.823 0.120 0.000 0.992 623 V HN 0.459 nan 8.190 nan 0.000 0.428 624 N N 5.219 123.981 118.700 0.102 0.000 2.310 624 N HA 0.601 5.341 4.740 -0.000 0.000 0.292 624 N C -1.482 174.115 175.510 0.145 0.000 1.049 624 N CA -0.457 52.629 53.050 0.060 0.000 0.849 624 N CB 2.946 41.396 38.487 -0.060 0.000 1.532 624 N HN 0.444 nan 8.380 nan 0.000 0.479 625 I N 2.423 123.115 120.570 0.203 0.000 2.466 625 I HA 0.397 4.567 4.170 -0.000 0.000 0.289 625 I C -0.570 175.638 176.117 0.153 0.000 1.026 625 I CA -0.600 60.812 61.300 0.187 0.000 1.078 625 I CB 2.109 40.245 38.000 0.226 0.000 1.249 625 I HN 0.283 nan 8.210 nan 0.000 0.429 626 L N 7.578 128.877 121.223 0.127 0.000 2.433 626 L HA 0.361 4.701 4.340 -0.000 0.000 0.256 626 L C -2.379 174.570 176.870 0.133 0.000 1.063 626 L CA -1.687 53.223 54.840 0.117 0.000 0.922 626 L CB 1.299 43.406 42.059 0.081 0.000 1.238 626 L HN 0.258 nan 8.230 nan 0.000 0.466 627 P HA 0.283 nan 4.420 nan 0.000 0.266 627 P C 0.221 177.629 177.300 0.181 0.000 1.195 627 P CA 0.488 63.720 63.100 0.220 0.000 0.768 627 P CB 1.438 33.329 31.700 0.319 0.000 0.838 628 G N 0.947 109.789 108.800 0.070 0.000 2.356 628 G HA2 0.308 4.268 3.960 -0.000 0.000 0.300 628 G HA3 0.308 4.268 3.960 -0.000 0.000 0.300 628 G C -0.982 173.869 174.900 -0.082 0.000 1.331 628 G CA -0.324 44.748 45.100 -0.046 0.000 0.905 628 G HN 0.639 nan 8.290 nan 0.000 0.587 629 S N -0.483 115.164 115.700 -0.088 0.000 2.586 629 S HA 0.577 5.047 4.470 -0.000 0.000 0.274 629 S C 1.657 176.250 174.600 -0.011 0.000 1.281 629 S CA 0.749 58.907 58.200 -0.070 0.000 1.035 629 S CB 1.457 64.609 63.200 -0.080 0.000 0.962 629 S HN 2.092 nan 8.310 nan 0.000 0.512 630 G N 1.518 110.324 108.800 0.010 0.000 2.418 630 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 630 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 630 G C 1.651 176.565 174.900 0.023 0.000 1.158 630 G CA 0.875 45.999 45.100 0.041 0.000 0.771 630 G HN 1.113 nan 8.290 nan 0.000 0.545 631 S N -0.275 115.423 115.700 -0.004 0.000 2.442 631 S HA 0.029 4.498 4.470 -0.000 0.000 0.236 631 S C 2.135 176.736 174.600 0.002 0.000 1.007 631 S CA 1.332 59.522 58.200 -0.017 0.000 0.965 631 S CB -0.073 63.105 63.200 -0.037 0.000 0.773 631 S HN 0.366 nan 8.310 nan 0.000 0.504 632 L N -0.172 121.055 121.223 0.006 0.000 2.453 632 L HA 0.277 4.617 4.340 -0.000 0.000 0.190 632 L C 2.279 179.168 176.870 0.031 0.000 1.093 632 L CA 0.496 55.345 54.840 0.016 0.000 0.834 632 L CB -0.114 41.949 42.059 0.006 0.000 1.090 632 L HN 0.199 nan 8.230 nan 0.000 0.489 633 V N 0.292 120.225 119.914 0.032 0.000 2.346 633 V HA -0.063 4.057 4.120 -0.000 0.000 0.244 633 V C 2.628 178.756 176.094 0.057 0.000 1.037 633 V CA 1.678 64.006 62.300 0.046 0.000 1.029 633 V CB -1.030 30.822 31.823 0.047 0.000 0.663 633 V HN 0.620 nan 8.190 nan 0.000 0.454 634 G N -0.688 108.148 108.800 0.060 0.000 2.459 634 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.217 634 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.217 634 G C 1.500 176.440 174.900 0.066 0.000 1.183 634 G CA 1.232 46.376 45.100 0.074 0.000 0.776 634 G HN 0.464 nan 8.290 nan 0.000 0.552 635 Q N 0.383 120.222 119.800 0.064 0.000 2.045 635 Q HA -0.163 4.177 4.340 -0.000 0.000 0.206 635 Q C 2.565 178.602 176.000 0.062 0.000 0.991 635 Q CA 2.134 57.981 55.803 0.073 0.000 0.851 635 Q CB -0.394 28.390 28.738 0.076 0.000 0.911 635 Q HN 0.371 nan 8.270 nan 0.000 0.418 636 R N -0.300 120.238 120.500 0.064 0.000 2.120 636 R HA -0.032 4.308 4.340 -0.000 0.000 0.234 636 R C 2.112 178.480 176.300 0.113 0.000 1.123 636 R CA 1.348 57.496 56.100 0.079 0.000 0.975 636 R CB -0.628 29.721 30.300 0.083 0.000 0.866 636 R HN 0.454 nan 8.270 nan 0.000 0.446 637 L N 0.019 121.296 121.223 0.089 0.000 2.027 637 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 637 L C 2.409 179.327 176.870 0.079 0.000 1.074 637 L CA 1.771 56.660 54.840 0.081 0.000 0.745 637 L CB -0.642 41.452 42.059 0.059 0.000 0.898 637 L HN 0.394 nan 8.230 nan 0.000 0.433 638 S N -1.146 114.586 115.700 0.054 0.000 2.419 638 S HA -0.186 4.283 4.470 -0.000 0.000 0.233 638 S C 1.408 176.021 174.600 0.022 0.000 1.016 638 S CA 1.425 59.640 58.200 0.025 0.000 0.974 638 S CB -0.349 62.844 63.200 -0.011 0.000 0.786 638 S HN 0.388 nan 8.310 nan 0.000 0.492 639 D N 0.160 120.582 120.400 0.037 0.000 2.333 639 D HA 0.071 4.711 4.640 -0.000 0.000 0.208 639 D C 0.487 176.805 176.300 0.029 0.000 0.984 639 D CA 0.351 54.360 54.000 0.016 0.000 0.873 639 D CB -0.448 40.355 40.800 0.004 0.000 0.935 639 D HN 0.503 nan 8.370 nan 0.000 0.521 640 H N 2.156 121.223 119.070 -0.005 0.000 2.886 640 H HA 0.013 4.569 4.556 -0.000 0.000 0.329 640 H C -1.445 173.878 175.328 -0.008 0.000 1.044 640 H CA -0.959 55.086 56.048 -0.004 0.000 1.456 640 H CB 1.717 31.480 29.762 0.000 0.000 1.464 640 H HN -0.071 nan 8.280 nan 0.000 0.573 641 P HA -0.071 nan 4.420 nan 0.000 0.229 641 P C 0.391 177.774 177.300 0.137 0.000 1.160 641 P CA 0.815 63.935 63.100 0.033 0.000 0.777 641 P CB 0.629 32.297 31.700 -0.054 0.000 0.814 642 D N -0.658 119.954 120.400 0.354 0.000 2.360 642 D HA 0.071 4.711 4.640 -0.000 0.000 0.210 642 D C 0.508 176.845 176.300 0.063 0.000 1.047 642 D CA 0.190 54.304 54.000 0.190 0.000 0.854 642 D CB 0.578 41.493 40.800 0.192 0.000 0.936 642 D HN 0.038 nan 8.370 nan 0.000 0.514 643 V N 1.644 121.605 119.914 0.079 0.000 2.546 643 V HA 0.207 4.327 4.120 -0.000 0.000 0.284 643 V C 1.276 177.373 176.094 0.005 0.000 1.050 643 V CA -0.237 62.063 62.300 -0.000 0.000 0.981 643 V CB 2.199 34.026 31.823 0.007 0.000 0.990 643 V HN -0.064 nan 8.190 nan 0.000 0.474 644 R N 2.341 122.825 120.500 -0.027 0.000 2.446 644 R HA 0.347 4.687 4.340 -0.000 0.000 0.254 644 R C 0.235 176.522 176.300 -0.022 0.000 0.918 644 R CA -0.036 56.046 56.100 -0.030 0.000 1.069 644 R CB 0.558 30.821 30.300 -0.062 0.000 1.194 644 R HN 0.534 nan 8.270 nan 0.000 0.534 645 K N 0.970 121.365 120.400 -0.008 0.000 2.572 645 K HA 0.290 4.609 4.320 -0.000 0.000 0.263 645 K C -1.626 174.990 176.600 0.027 0.000 0.932 645 K CA -0.498 55.786 56.287 -0.005 0.000 0.838 645 K CB 1.886 34.373 32.500 -0.020 0.000 1.366 645 K HN -0.170 nan 8.250 nan 0.000 0.425 646 I N 2.219 122.805 120.570 0.027 0.000 2.406 646 I HA 0.379 4.549 4.170 -0.000 0.000 0.290 646 I C 0.536 176.696 176.117 0.071 0.000 0.999 646 I CA -0.536 60.802 61.300 0.064 0.000 1.124 646 I CB 1.369 39.403 38.000 0.056 0.000 1.289 646 I HN 0.703 nan 8.210 nan 0.000 0.441 647 G N 5.766 114.642 108.800 0.125 0.000 2.368 647 G HA2 0.578 4.538 3.960 -0.000 0.000 0.320 647 G HA3 0.578 4.538 3.960 -0.000 0.000 0.320 647 G C -1.530 173.481 174.900 0.185 0.000 1.158 647 G CA -0.284 44.895 45.100 0.132 0.000 0.912 647 G HN 0.388 nan 8.290 nan 0.000 0.456 648 F N 1.936 121.881 119.950 -0.009 0.000 2.556 648 F HA 0.723 5.250 4.527 -0.000 0.000 0.314 648 F C -0.477 175.302 175.800 -0.034 0.000 1.106 648 F CA -0.560 57.428 58.000 -0.020 0.000 0.911 648 F CB 2.515 41.492 39.000 -0.037 0.000 1.190 648 F HN 0.408 nan 8.300 nan 0.000 0.448 649 T N 4.281 118.259 114.554 -0.961 0.000 2.848 649 T HA 0.830 5.180 4.350 -0.000 0.000 0.285 649 T C -0.218 173.673 174.700 -1.349 0.000 0.995 649 T CA -0.192 61.380 62.100 -0.880 0.000 0.970 649 T CB 1.384 70.038 68.868 -0.357 0.000 0.976 649 T HN 1.154 nan 8.240 nan 0.000 0.441 650 G N 1.741 109.984 108.800 -0.928 0.000 2.452 650 G HA2 0.431 4.390 3.960 -0.000 0.000 0.224 650 G HA3 0.431 4.390 3.960 -0.000 0.000 0.224 650 G C -0.752 174.070 174.900 -0.131 0.000 1.208 650 G CA -0.251 44.529 45.100 -0.534 0.000 0.946 650 G HN 0.970 nan 8.290 nan 0.000 0.481 651 S N -0.413 115.337 115.700 0.083 0.000 2.601 651 S HA 0.501 4.971 4.470 -0.000 0.000 0.271 651 S C 1.327 176.030 174.600 0.173 0.000 1.305 651 S CA 0.874 59.111 58.200 0.062 0.000 1.022 651 S CB 1.437 64.669 63.200 0.052 0.000 0.940 651 S HN 0.807 nan 8.310 nan 0.000 0.525 652 T N 1.230 115.871 114.554 0.145 0.000 2.699 652 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 652 T C 1.633 176.391 174.700 0.097 0.000 1.036 652 T CA 1.977 64.172 62.100 0.158 0.000 1.147 652 T CB -0.548 68.469 68.868 0.247 0.000 0.862 652 T HN 0.873 nan 8.240 nan 0.000 0.446 653 E N 0.339 120.592 120.200 0.089 0.000 2.077 653 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 653 E C 2.159 178.774 176.600 0.025 0.000 0.989 653 E CA 1.081 57.514 56.400 0.054 0.000 0.800 653 E CB -0.043 29.689 29.700 0.054 0.000 0.746 653 E HN 0.309 nan 8.360 nan 0.000 0.452 654 V N 0.567 120.495 119.914 0.023 0.000 2.548 654 V HA -0.105 4.015 4.120 -0.000 0.000 0.249 654 V C 2.392 178.292 176.094 -0.324 0.000 1.055 654 V CA 1.599 63.856 62.300 -0.071 0.000 1.065 654 V CB -0.628 31.210 31.823 0.025 0.000 0.681 654 V HN 0.480 nan 8.190 nan 0.000 0.462 655 G N 0.073 108.691 108.800 -0.304 0.000 2.418 655 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 655 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 655 G C 1.650 176.412 174.900 -0.228 0.000 1.158 655 G CA 0.849 45.697 45.100 -0.421 0.000 0.771 655 G HN 0.461 nan 8.290 nan 0.000 0.545 656 K N -0.537 119.810 120.400 -0.088 0.000 2.032 656 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 656 K C 2.255 178.825 176.600 -0.050 0.000 1.048 656 K CA 1.553 57.818 56.287 -0.038 0.000 0.927 656 K CB -0.334 32.170 32.500 0.007 0.000 0.712 656 K HN 0.458 nan 8.250 nan 0.000 0.441 657 H N 0.665 119.659 119.070 -0.127 0.000 2.387 657 H HA -0.015 4.541 4.556 -0.000 0.000 0.299 657 H C 1.843 177.084 175.328 -0.144 0.000 1.090 657 H CA 1.552 57.530 56.048 -0.116 0.000 1.332 657 H CB 0.018 29.717 29.762 -0.106 0.000 1.386 657 H HN 0.099 nan 8.280 nan 0.000 0.516 658 I N -0.386 120.064 120.570 -0.200 0.000 2.202 658 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 658 I C 2.649 178.653 176.117 -0.187 0.000 1.091 658 I CA 1.453 62.609 61.300 -0.240 0.000 1.368 658 I CB -0.244 37.520 38.000 -0.394 0.000 1.058 658 I HN 0.397 nan 8.210 nan 0.000 0.410 659 M N 0.752 120.260 119.600 -0.154 0.000 2.080 659 M HA -0.288 4.192 4.480 -0.000 0.000 0.260 659 M C 2.434 178.685 176.300 -0.082 0.000 1.068 659 M CA 1.875 57.136 55.300 -0.065 0.000 1.109 659 M CB -0.243 32.357 32.600 0.000 0.000 1.342 659 M HN 0.052 nan 8.290 nan 0.000 0.405 660 K N -0.251 120.072 120.400 -0.128 0.000 2.044 660 K HA -0.172 4.147 4.320 -0.000 0.000 0.210 660 K C 1.696 178.188 176.600 -0.180 0.000 1.049 660 K CA 2.210 58.406 56.287 -0.152 0.000 0.927 660 K CB -0.197 32.185 32.500 -0.197 0.000 0.713 660 K HN 0.409 nan 8.250 nan 0.000 0.443 661 S N 0.531 116.078 115.700 -0.254 0.000 2.383 661 S HA -0.134 4.336 4.470 -0.000 0.000 0.227 661 S C 2.250 176.788 174.600 -0.104 0.000 1.026 661 S CA 1.192 59.273 58.200 -0.197 0.000 0.981 661 S CB -0.442 62.628 63.200 -0.216 0.000 0.818 661 S HN 0.412 nan 8.310 nan 0.000 0.472 662 C N 2.000 121.249 119.300 -0.085 0.000 2.413 662 C HA -0.034 4.426 4.460 -0.000 0.000 0.276 662 C C 3.110 178.076 174.990 -0.040 0.000 1.236 662 C CA 0.556 59.547 59.018 -0.045 0.000 1.735 662 C CB -1.574 26.150 27.740 -0.027 0.000 2.031 662 C HN 0.684 nan 8.230 nan 0.000 0.474 663 A N 0.432 123.223 122.820 -0.048 0.000 1.865 663 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 663 A C 2.050 179.608 177.584 -0.043 0.000 1.191 663 A CA 1.606 53.618 52.037 -0.042 0.000 0.623 663 A CB -0.703 18.271 19.000 -0.043 0.000 0.826 663 A HN 0.626 nan 8.150 nan 0.000 0.444 664 L N 0.423 121.613 121.223 -0.055 0.000 2.465 664 L HA -0.089 4.251 4.340 -0.000 0.000 0.224 664 L C 2.595 179.441 176.870 -0.041 0.000 1.145 664 L CA 0.947 55.757 54.840 -0.049 0.000 0.834 664 L CB -0.340 41.682 42.059 -0.060 0.000 0.944 664 L HN 0.636 nan 8.230 nan 0.000 0.451 665 S N 0.600 116.277 115.700 -0.039 0.000 2.440 665 S HA 0.007 4.477 4.470 -0.000 0.000 0.194 665 S C 1.139 175.724 174.600 -0.024 0.000 0.952 665 S CA 0.501 58.683 58.200 -0.031 0.000 0.898 665 S CB -0.207 62.979 63.200 -0.025 0.000 0.875 665 S HN 0.482 nan 8.310 nan 0.000 0.581 666 N N 0.866 119.555 118.700 -0.018 0.000 2.387 666 N HA 0.120 4.860 4.740 -0.000 0.000 0.259 666 N C 0.189 175.690 175.510 -0.015 0.000 1.369 666 N CA 0.198 53.240 53.050 -0.013 0.000 0.867 666 N CB -0.171 38.314 38.487 -0.004 0.000 1.341 666 N HN 0.941 nan 8.380 nan 0.000 0.495 667 V N -1.393 118.509 119.914 -0.020 0.000 5.359 667 V HA -0.361 3.759 4.120 -0.000 0.000 0.278 667 V C 0.272 176.355 176.094 -0.019 0.000 0.622 667 V CA 1.155 63.441 62.300 -0.022 0.000 0.649 667 V CB -2.820 28.988 31.823 -0.025 0.000 0.408 667 V HN 0.682 nan 8.190 nan 0.000 0.918 668 K N -0.086 120.306 120.400 -0.013 0.000 2.436 668 K HA 0.403 4.723 4.320 -0.000 0.000 0.275 668 K C 0.271 176.864 176.600 -0.011 0.000 0.999 668 K CA -0.498 55.782 56.287 -0.011 0.000 0.980 668 K CB 0.678 33.177 32.500 -0.002 0.000 0.919 668 K HN 0.582 nan 8.250 nan 0.000 0.484 669 K N 0.936 121.325 120.400 -0.018 0.000 2.380 669 K HA 0.145 4.465 4.320 -0.000 0.000 0.267 669 K C -0.524 176.077 176.600 0.002 0.000 0.990 669 K CA -0.294 55.981 56.287 -0.019 0.000 0.946 669 K CB 1.034 33.505 32.500 -0.049 0.000 0.937 669 K HN 0.412 nan 8.250 nan 0.000 0.491 670 V N 1.287 121.230 119.914 0.049 0.000 2.932 670 V HA 0.440 4.560 4.120 -0.000 0.000 0.307 670 V C -1.438 174.761 176.094 0.175 0.000 1.147 670 V CA -0.409 61.944 62.300 0.088 0.000 0.951 670 V CB 2.264 34.146 31.823 0.099 0.000 1.031 670 V HN 0.963 nan 8.190 nan 0.000 0.426 671 S N 6.488 122.229 115.700 0.068 0.000 2.568 671 S HA 0.905 5.375 4.470 -0.000 0.000 0.293 671 S C -1.226 173.315 174.600 -0.099 0.000 1.089 671 S CA -0.841 57.373 58.200 0.024 0.000 0.945 671 S CB 1.902 65.091 63.200 -0.019 0.000 1.077 671 S HN 0.773 nan 8.310 nan 0.000 0.485 672 L N 1.492 122.525 121.223 -0.318 0.000 2.476 672 L HA 0.577 4.917 4.340 -0.000 0.000 0.269 672 L C -0.681 176.061 176.870 -0.213 0.000 0.965 672 L CA -0.395 54.306 54.840 -0.233 0.000 0.845 672 L CB 2.025 43.801 42.059 -0.472 0.000 1.259 672 L HN 0.731 nan 8.230 nan 0.000 0.403 673 E N 4.542 124.673 120.200 -0.115 0.000 2.145 673 E HA 0.370 4.720 4.350 -0.000 0.000 0.262 673 E C -0.667 175.865 176.600 -0.113 0.000 0.883 673 E CA -0.349 55.961 56.400 -0.149 0.000 0.748 673 E CB 1.635 31.250 29.700 -0.142 0.000 1.140 673 E HN 0.656 nan 8.360 nan 0.000 0.417 674 L N 3.528 124.707 121.223 -0.072 0.000 3.066 674 L HA 0.349 4.689 4.340 -0.000 0.000 0.265 674 L C 0.945 177.764 176.870 -0.085 0.000 1.232 674 L CA -0.039 54.792 54.840 -0.015 0.000 1.031 674 L CB 0.198 42.306 42.059 0.080 0.000 1.379 674 L HN 0.762 nan 8.230 nan 0.000 0.563 675 G N 0.284 109.007 108.800 -0.129 0.000 2.804 675 G HA2 0.074 4.033 3.960 -0.000 0.000 0.230 675 G HA3 0.074 4.033 3.960 -0.000 0.000 0.230 675 G C -0.120 174.534 174.900 -0.410 0.000 1.386 675 G CA -0.387 44.584 45.100 -0.215 0.000 0.875 675 G HN 0.618 nan 8.290 nan 0.000 0.557 676 G N -1.617 106.821 108.800 -0.604 0.000 2.494 676 G HA2 0.712 4.672 3.960 -0.000 0.000 0.308 676 G HA3 0.712 4.672 3.960 -0.000 0.000 0.308 676 G C -1.164 173.402 174.900 -0.556 0.000 1.263 676 G CA 0.482 45.092 45.100 -0.815 0.000 0.840 676 G HN 1.368 nan 8.290 nan 0.000 0.479 677 K N 0.789 121.103 120.400 -0.144 0.000 2.992 677 K HA 0.544 4.864 4.320 -0.000 0.000 0.178 677 K C -0.538 176.130 176.600 0.114 0.000 1.122 677 K CA -0.286 56.027 56.287 0.043 0.000 0.926 677 K CB 0.463 33.092 32.500 0.214 0.000 1.121 677 K HN 0.419 nan 8.250 nan 0.000 0.610 678 S N 4.340 120.100 115.700 0.099 0.000 2.505 678 S HA 0.355 4.825 4.470 -0.000 0.000 0.276 678 S C -2.398 172.292 174.600 0.151 0.000 1.274 678 S CA -0.947 57.342 58.200 0.148 0.000 1.053 678 S CB 0.658 63.984 63.200 0.209 0.000 0.919 678 S HN 0.429 nan 8.310 nan 0.000 0.490 679 P HA 0.405 nan 4.420 nan 0.000 0.288 679 P C -1.151 176.243 177.300 0.156 0.000 1.267 679 P CA -0.806 62.422 63.100 0.214 0.000 0.815 679 P CB 0.931 32.810 31.700 0.298 0.000 0.989 680 L N 4.325 125.594 121.223 0.076 0.000 2.349 680 L HA 0.507 4.847 4.340 -0.000 0.000 0.278 680 L C -0.960 175.861 176.870 -0.083 0.000 0.996 680 L CA -0.696 54.100 54.840 -0.074 0.000 0.825 680 L CB 0.727 42.612 42.059 -0.289 0.000 1.243 680 L HN 0.227 nan 8.230 nan 0.000 0.412 681 I N 6.531 127.016 120.570 -0.142 0.000 2.330 681 I HA 0.394 4.563 4.170 -0.000 0.000 0.289 681 I C -0.444 175.505 176.117 -0.281 0.000 1.001 681 I CA -0.298 60.874 61.300 -0.213 0.000 1.193 681 I CB 1.177 38.961 38.000 -0.359 0.000 1.345 681 I HN 0.483 nan 8.210 nan 0.000 0.461 682 I N 6.480 126.919 120.570 -0.219 0.000 2.354 682 I HA 0.341 4.511 4.170 -0.000 0.000 0.286 682 I C -0.487 175.596 176.117 -0.058 0.000 1.007 682 I CA -0.415 60.816 61.300 -0.114 0.000 1.167 682 I CB 0.766 38.637 38.000 -0.216 0.000 1.320 682 I HN 0.334 nan 8.210 nan 0.000 0.458 683 F N 3.232 123.329 119.950 0.245 0.000 2.370 683 F HA 0.376 4.902 4.527 -0.000 0.000 0.324 683 F C 1.515 177.392 175.800 0.128 0.000 1.116 683 F CA -0.200 57.939 58.000 0.233 0.000 1.123 683 F CB 1.308 40.444 39.000 0.227 0.000 1.238 683 F HN 0.517 nan 8.300 nan 0.000 0.536 684 A N 0.659 123.647 122.820 0.281 0.000 2.070 684 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 684 A C 1.554 179.238 177.584 0.166 0.000 1.159 684 A CA 1.632 53.765 52.037 0.160 0.000 0.656 684 A CB -0.917 18.145 19.000 0.102 0.000 0.800 684 A HN 0.780 nan 8.150 nan 0.000 0.453 685 D N -0.377 120.143 120.400 0.201 0.000 2.349 685 D HA 0.019 4.659 4.640 -0.000 0.000 0.224 685 D C 0.973 177.361 176.300 0.148 0.000 1.029 685 D CA 0.357 54.443 54.000 0.142 0.000 0.879 685 D CB -1.738 39.121 40.800 0.099 0.000 0.906 685 D HN 0.542 nan 8.370 nan 0.000 0.528 686 C N -0.418 119.000 119.300 0.197 0.000 2.633 686 C HA 0.373 4.833 4.460 -0.000 0.000 0.345 686 C C 0.698 175.764 174.990 0.127 0.000 1.384 686 C CA -1.210 57.919 59.018 0.184 0.000 2.418 686 C CB 0.674 28.574 27.740 0.266 0.000 2.425 686 C HN 0.238 nan 8.230 nan 0.000 0.705 687 D N 0.842 121.295 120.400 0.088 0.000 2.352 687 D HA 0.102 4.742 4.640 -0.000 0.000 0.245 687 D C 0.675 177.022 176.300 0.079 0.000 1.224 687 D CA -0.182 53.855 54.000 0.061 0.000 0.879 687 D CB 0.671 41.484 40.800 0.022 0.000 1.057 687 D HN 0.654 nan 8.370 nan 0.000 0.491 688 L N 5.711 126.995 121.223 0.102 0.000 2.056 688 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 688 L C 1.647 178.594 176.870 0.128 0.000 1.078 688 L CA 1.507 56.437 54.840 0.149 0.000 0.749 688 L CB -0.633 41.513 42.059 0.145 0.000 0.901 688 L HN 0.361 nan 8.230 nan 0.000 0.433 689 N N 0.189 118.932 118.700 0.071 0.000 2.104 689 N HA -0.259 4.481 4.740 -0.000 0.000 0.190 689 N C 1.861 177.389 175.510 0.030 0.000 1.024 689 N CA 1.664 54.738 53.050 0.041 0.000 0.853 689 N CB -0.270 38.230 38.487 0.022 0.000 1.008 689 N HN 0.425 nan 8.380 nan 0.000 0.424 690 K N 0.719 121.124 120.400 0.009 0.000 2.097 690 K HA 0.055 4.375 4.320 -0.000 0.000 0.205 690 K C 1.880 178.430 176.600 -0.082 0.000 1.050 690 K CA 1.054 57.313 56.287 -0.047 0.000 0.938 690 K CB -0.075 32.375 32.500 -0.084 0.000 0.718 690 K HN 0.099 nan 8.250 nan 0.000 0.442 691 A N 0.493 123.312 122.820 -0.001 0.000 1.933 691 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 691 A C 2.177 180.021 177.584 0.433 0.000 1.175 691 A CA 1.577 53.722 52.037 0.179 0.000 0.628 691 A CB -0.553 18.694 19.000 0.413 0.000 0.814 691 A HN 0.164 nan 8.150 nan 0.000 0.444 692 V N -0.592 119.488 119.914 0.277 0.000 2.307 692 V HA -0.258 3.861 4.120 -0.000 0.000 0.245 692 V C 2.724 178.868 176.094 0.083 0.000 1.045 692 V CA 2.243 64.593 62.300 0.083 0.000 1.024 692 V CB -0.781 30.976 31.823 -0.109 0.000 0.651 692 V HN 0.530 nan 8.190 nan 0.000 0.449 693 Q N -0.794 119.042 119.800 0.060 0.000 2.030 693 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 693 Q C 2.170 178.221 176.000 0.085 0.000 0.986 693 Q CA 1.939 57.776 55.803 0.056 0.000 0.843 693 Q CB -0.437 28.316 28.738 0.025 0.000 0.904 693 Q HN 0.389 nan 8.270 nan 0.000 0.420 694 M N -1.214 118.423 119.600 0.062 0.000 2.175 694 M HA 0.022 4.502 4.480 -0.000 0.000 0.264 694 M C 2.050 178.507 176.300 0.261 0.000 1.063 694 M CA 1.563 56.924 55.300 0.102 0.000 1.119 694 M CB -1.470 31.064 32.600 -0.110 0.000 1.377 694 M HN 0.334 nan 8.290 nan 0.000 0.415 695 G N -0.402 108.632 108.800 0.390 0.000 2.422 695 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 695 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 695 G C 1.674 176.606 174.900 0.053 0.000 1.146 695 G CA 0.601 45.886 45.100 0.308 0.000 0.769 695 G HN 0.367 nan 8.290 nan 0.000 0.547 696 M N 0.548 120.193 119.600 0.075 0.000 2.132 696 M HA -0.035 4.445 4.480 -0.000 0.000 0.263 696 M C 2.867 179.183 176.300 0.027 0.000 1.065 696 M CA 1.375 56.687 55.300 0.020 0.000 1.122 696 M CB -0.198 32.551 32.600 0.247 0.000 1.365 696 M HN 0.341 nan 8.290 nan 0.000 0.411 697 S N 0.325 116.094 115.700 0.114 0.000 2.370 697 S HA -0.170 4.300 4.470 -0.000 0.000 0.226 697 S C 2.001 176.638 174.600 0.061 0.000 1.033 697 S CA 2.014 60.308 58.200 0.158 0.000 1.011 697 S CB -0.360 62.925 63.200 0.141 0.000 0.852 697 S HN 0.626 nan 8.310 nan 0.000 0.457 698 S N 0.133 115.769 115.700 -0.106 0.000 2.419 698 S HA -0.042 4.428 4.470 -0.000 0.000 0.233 698 S C 1.688 176.108 174.600 -0.300 0.000 1.016 698 S CA 1.355 59.318 58.200 -0.396 0.000 0.974 698 S CB -0.496 62.128 63.200 -0.959 0.000 0.786 698 S HN 0.391 nan 8.310 nan 0.000 0.492 699 V N -0.382 119.336 119.914 -0.328 0.000 2.581 699 V HA 0.241 4.361 4.120 -0.000 0.000 0.240 699 V C 1.783 177.755 176.094 -0.203 0.000 1.054 699 V CA 0.911 62.971 62.300 -0.400 0.000 1.076 699 V CB -0.698 30.649 31.823 -0.794 0.000 0.748 699 V HN 0.469 nan 8.190 nan 0.000 0.474 700 F N -0.834 119.178 119.950 0.104 0.000 2.776 700 F HA 0.328 4.855 4.527 -0.000 0.000 0.300 700 F C 0.879 176.779 175.800 0.167 0.000 1.116 700 F CA -1.384 56.692 58.000 0.127 0.000 1.375 700 F CB -0.641 38.415 39.000 0.093 0.000 1.109 700 F HN 0.040 nan 8.300 nan 0.000 0.585 701 F N 2.364 122.423 119.950 0.182 0.000 2.608 701 F HA 0.051 4.578 4.527 -0.000 0.000 0.380 701 F C 1.244 177.112 175.800 0.114 0.000 1.083 701 F CA -0.167 57.921 58.000 0.147 0.000 1.266 701 F CB 0.032 39.101 39.000 0.115 0.000 1.076 701 F HN 0.157 nan 8.300 nan 0.000 0.574 702 N N 4.148 122.537 118.700 -0.518 0.000 2.727 702 N HA -0.305 4.434 4.740 -0.000 0.000 0.249 702 N C 0.143 175.557 175.510 -0.160 0.000 1.048 702 N CA 1.271 54.101 53.050 -0.367 0.000 0.714 702 N CB -0.596 37.676 38.487 -0.358 0.000 0.959 702 N HN 0.767 nan 8.380 nan 0.000 0.544 703 K N -2.696 117.686 120.400 -0.031 0.000 3.035 703 K HA -0.241 4.079 4.320 -0.000 0.000 0.262 703 K C 0.915 177.573 176.600 0.097 0.000 1.024 703 K CA 1.844 58.177 56.287 0.077 0.000 0.748 703 K CB -2.437 29.979 32.500 -0.140 0.000 1.247 703 K HN 1.379 nan 8.250 nan 0.000 0.482 704 G N -0.217 108.634 108.800 0.085 0.000 2.196 704 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.268 704 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.268 704 G C -0.021 174.703 174.900 -0.293 0.000 0.975 704 G CA 0.851 45.947 45.100 -0.007 0.000 0.648 704 G HN 0.651 nan 8.290 nan 0.000 0.538 705 E N 0.858 120.808 120.200 -0.416 0.000 1.852 705 E HA 0.314 4.664 4.350 -0.000 0.000 0.276 705 E C 0.122 176.134 176.600 -0.981 0.000 1.163 705 E CA -0.158 55.670 56.400 -0.953 0.000 1.117 705 E CB -0.054 29.381 29.700 -0.441 0.000 1.124 705 E HN 0.480 nan 8.360 nan 0.000 0.458 706 N N 1.975 120.113 118.700 -0.936 0.000 2.616 706 N HA 0.026 4.766 4.740 -0.000 0.000 0.281 706 N C 0.553 176.099 175.510 0.059 0.000 1.145 706 N CA -0.561 52.382 53.050 -0.180 0.000 0.919 706 N CB 0.675 39.215 38.487 0.087 0.000 1.509 706 N HN 0.282 nan 8.380 nan 0.000 0.537 707 C N 2.409 121.875 119.300 0.277 0.000 2.391 707 C HA -0.150 4.310 4.460 -0.000 0.000 0.276 707 C C 2.136 177.301 174.990 0.292 0.000 1.217 707 C CA 0.464 59.697 59.018 0.360 0.000 1.766 707 C CB -1.660 26.294 27.740 0.355 0.000 2.046 707 C HN 0.820 nan 8.230 nan 0.000 0.475 708 I N -0.109 120.630 120.570 0.282 0.000 3.875 708 I HA 0.457 4.627 4.170 -0.000 0.000 0.329 708 I C 1.091 177.432 176.117 0.373 0.000 1.295 708 I CA -0.286 61.204 61.300 0.316 0.000 1.129 708 I CB -0.629 37.565 38.000 0.322 0.000 1.008 708 I HN 0.115 nan 8.210 nan 0.000 0.413 709 A N 2.103 125.075 122.820 0.254 0.000 2.587 709 A HA 0.454 4.774 4.320 -0.000 0.000 0.235 709 A C 0.869 178.523 177.584 0.117 0.000 1.044 709 A CA 0.403 52.537 52.037 0.161 0.000 0.754 709 A CB -0.069 18.962 19.000 0.052 0.000 0.968 709 A HN 0.655 nan 8.150 nan 0.000 0.509 710 A N 2.379 125.145 122.820 -0.089 0.000 2.444 710 A HA 0.472 4.791 4.320 -0.000 0.000 0.273 710 A C 1.336 178.872 177.584 -0.080 0.000 1.136 710 A CA 0.222 52.182 52.037 -0.128 0.000 0.799 710 A CB -0.254 18.483 19.000 -0.438 0.000 1.081 710 A HN 1.606 nan 8.150 nan 0.000 0.509 711 G N 2.329 111.124 108.800 -0.008 0.000 2.838 711 G HA2 0.239 4.199 3.960 -0.000 0.000 0.210 711 G HA3 0.239 4.199 3.960 -0.000 0.000 0.210 711 G C 0.677 175.561 174.900 -0.025 0.000 1.153 711 G CA -0.103 44.997 45.100 0.000 0.000 0.778 711 G HN 0.688 nan 8.290 nan 0.000 0.539 712 R N -0.668 119.790 120.500 -0.070 0.000 2.584 712 R HA 0.478 4.818 4.340 -0.000 0.000 0.276 712 R C -1.936 174.210 176.300 -0.257 0.000 1.046 712 R CA -0.787 55.190 56.100 -0.205 0.000 0.906 712 R CB 2.006 32.121 30.300 -0.308 0.000 1.215 712 R HN -0.031 nan 8.270 nan 0.000 0.449 713 L N 3.262 124.299 121.223 -0.310 0.000 2.296 713 L HA 0.493 4.833 4.340 -0.000 0.000 0.286 713 L C -0.896 175.752 176.870 -0.369 0.000 1.023 713 L CA -0.087 54.592 54.840 -0.268 0.000 0.812 713 L CB 0.850 42.795 42.059 -0.191 0.000 1.223 713 L HN 0.451 nan 8.230 nan 0.000 0.421 714 F N 3.096 123.003 119.950 -0.072 0.000 2.388 714 F HA 0.592 5.119 4.527 -0.000 0.000 0.358 714 F C 0.004 175.882 175.800 0.130 0.000 1.122 714 F CA -0.845 57.196 58.000 0.067 0.000 1.056 714 F CB 1.454 40.438 39.000 -0.028 0.000 1.155 714 F HN 0.026 nan 8.300 nan 0.000 0.461 715 V N 2.743 122.788 119.914 0.219 0.000 2.487 715 V HA 0.244 4.364 4.120 -0.000 0.000 0.298 715 V C -0.013 175.846 176.094 -0.393 0.000 1.028 715 V CA -1.207 61.039 62.300 -0.090 0.000 0.860 715 V CB 1.567 33.239 31.823 -0.251 0.000 0.991 715 V HN 0.691 nan 8.190 nan 0.000 0.427 716 E N 2.885 122.643 120.200 -0.735 0.000 2.452 716 E HA -0.026 4.324 4.350 -0.000 0.000 0.261 716 E C 1.042 177.375 176.600 -0.444 0.000 0.987 716 E CA 0.021 55.770 56.400 -1.084 0.000 0.926 716 E CB 0.614 29.958 29.700 -0.593 0.000 0.934 716 E HN 0.702 nan 8.360 nan 0.000 0.452 717 E N 2.010 121.975 120.200 -0.392 0.000 2.097 717 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 717 E C 1.790 178.354 176.600 -0.060 0.000 1.000 717 E CA 1.643 57.941 56.400 -0.169 0.000 0.804 717 E CB -0.118 29.498 29.700 -0.139 0.000 0.740 717 E HN 0.592 nan 8.360 nan 0.000 0.454 718 S N 0.241 115.905 115.700 -0.059 0.000 2.474 718 S HA -0.112 4.358 4.470 -0.000 0.000 0.235 718 S C 1.942 176.561 174.600 0.031 0.000 0.997 718 S CA 1.084 59.282 58.200 -0.003 0.000 0.949 718 S CB -0.533 62.669 63.200 0.003 0.000 0.766 718 S HN 0.441 nan 8.310 nan 0.000 0.517 719 I N -3.104 117.485 120.570 0.033 0.000 4.154 719 I HA 0.351 4.521 4.170 -0.000 0.000 0.334 719 I C 2.082 178.276 176.117 0.129 0.000 1.371 719 I CA -0.292 61.055 61.300 0.079 0.000 1.110 719 I CB -0.485 37.563 38.000 0.081 0.000 1.085 719 I HN 0.150 nan 8.210 nan 0.000 0.398 720 H N 3.026 122.101 119.070 0.009 0.000 2.319 720 H HA -0.160 4.396 4.556 -0.000 0.000 0.297 720 H C 1.323 176.726 175.328 0.125 0.000 1.097 720 H CA 2.490 58.566 56.048 0.046 0.000 1.285 720 H CB 0.133 29.889 29.762 -0.010 0.000 1.368 720 H HN 0.385 nan 8.280 nan 0.000 0.495 721 N N 0.725 119.583 118.700 0.263 0.000 2.171 721 N HA -0.132 4.607 4.740 -0.000 0.000 0.184 721 N C 2.164 177.729 175.510 0.092 0.000 1.021 721 N CA 0.890 54.051 53.050 0.186 0.000 0.854 721 N CB -0.543 38.041 38.487 0.163 0.000 0.994 721 N HN 0.548 nan 8.380 nan 0.000 0.426 722 Q N -0.423 119.437 119.800 0.100 0.000 2.124 722 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 722 Q C 1.868 177.915 176.000 0.079 0.000 0.977 722 Q CA 0.913 56.762 55.803 0.076 0.000 0.850 722 Q CB -0.131 28.655 28.738 0.080 0.000 0.901 722 Q HN 0.345 nan 8.270 nan 0.000 0.429 723 F N 0.007 119.939 119.950 -0.030 0.000 2.102 723 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 723 F C 1.877 177.634 175.800 -0.072 0.000 1.105 723 F CA 1.444 59.419 58.000 -0.043 0.000 1.239 723 F CB -0.202 38.762 39.000 -0.060 0.000 0.991 723 F HN -0.108 nan 8.300 nan 0.000 0.474 724 V N 0.545 120.440 119.914 -0.031 0.000 2.343 724 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 724 V C 2.282 178.300 176.094 -0.127 0.000 1.051 724 V CA 2.229 64.456 62.300 -0.123 0.000 1.036 724 V CB -0.960 30.804 31.823 -0.098 0.000 0.654 724 V HN 0.408 nan 8.190 nan 0.000 0.451 725 Q N -0.070 119.687 119.800 -0.071 0.000 2.077 725 Q HA -0.272 4.068 4.340 -0.000 0.000 0.206 725 Q C 2.364 178.308 176.000 -0.094 0.000 0.989 725 Q CA 1.934 57.703 55.803 -0.057 0.000 0.853 725 Q CB -0.246 28.480 28.738 -0.020 0.000 0.907 725 Q HN 0.601 nan 8.270 nan 0.000 0.418 726 K N -0.186 120.135 120.400 -0.132 0.000 2.097 726 K HA -0.084 4.235 4.320 -0.000 0.000 0.205 726 K C 2.101 178.582 176.600 -0.199 0.000 1.050 726 K CA 1.005 57.204 56.287 -0.147 0.000 0.938 726 K CB -0.016 32.400 32.500 -0.140 0.000 0.718 726 K HN 0.008 nan 8.250 nan 0.000 0.442 727 V N 1.071 120.791 119.914 -0.322 0.000 2.255 727 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 727 V C 2.247 178.263 176.094 -0.129 0.000 1.051 727 V CA 1.620 63.758 62.300 -0.271 0.000 1.018 727 V CB -0.330 31.265 31.823 -0.379 0.000 0.641 727 V HN 0.086 nan 8.190 nan 0.000 0.445 728 V N -0.106 119.738 119.914 -0.117 0.000 2.332 728 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 728 V C 2.398 178.440 176.094 -0.086 0.000 1.055 728 V CA 2.300 64.547 62.300 -0.088 0.000 1.038 728 V CB -0.768 31.012 31.823 -0.072 0.000 0.651 728 V HN 0.645 nan 8.190 nan 0.000 0.450 729 E N -0.352 119.799 120.200 -0.082 0.000 2.085 729 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 729 E C 2.305 178.862 176.600 -0.071 0.000 0.994 729 E CA 1.353 57.712 56.400 -0.070 0.000 0.801 729 E CB -0.147 29.517 29.700 -0.060 0.000 0.743 729 E HN 0.590 nan 8.360 nan 0.000 0.453 730 E N 0.431 120.587 120.200 -0.074 0.000 2.107 730 E HA -0.101 4.248 4.350 -0.000 0.000 0.191 730 E C 2.357 178.904 176.600 -0.087 0.000 0.982 730 E CA 0.514 56.877 56.400 -0.062 0.000 0.809 730 E CB -0.259 29.416 29.700 -0.042 0.000 0.756 730 E HN 0.121 nan 8.360 nan 0.000 0.459 731 V N 1.804 121.649 119.914 -0.114 0.000 2.332 731 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 731 V C 2.151 178.134 176.094 -0.185 0.000 1.055 731 V CA 1.846 64.024 62.300 -0.203 0.000 1.038 731 V CB -0.491 31.201 31.823 -0.218 0.000 0.651 731 V HN 0.262 nan 8.190 nan 0.000 0.450 732 E N -0.154 119.966 120.200 -0.133 0.000 2.160 732 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 732 E C 2.103 178.644 176.600 -0.099 0.000 0.991 732 E CA 1.114 57.446 56.400 -0.113 0.000 0.810 732 E CB -0.120 29.528 29.700 -0.087 0.000 0.742 732 E HN 0.595 nan 8.360 nan 0.000 0.466 733 K N -0.062 120.284 120.400 -0.089 0.000 2.418 733 K HA 0.071 4.391 4.320 -0.000 0.000 0.195 733 K C 0.484 177.041 176.600 -0.071 0.000 1.035 733 K CA 0.115 56.360 56.287 -0.069 0.000 1.003 733 K CB 0.127 32.597 32.500 -0.051 0.000 0.793 733 K HN 0.113 nan 8.250 nan 0.000 0.494 734 M N 1.561 121.099 119.600 -0.104 0.000 2.238 734 M HA 0.034 4.514 4.480 -0.000 0.000 0.350 734 M C -0.295 175.962 176.300 -0.071 0.000 1.321 734 M CA 0.413 55.654 55.300 -0.100 0.000 1.097 734 M CB 0.484 32.968 32.600 -0.192 0.000 1.713 734 M HN -0.255 nan 8.290 nan 0.000 0.455 735 K N 3.989 124.373 120.400 -0.026 0.000 2.264 735 K HA 0.491 4.811 4.320 -0.000 0.000 0.277 735 K C -0.937 175.681 176.600 0.031 0.000 1.067 735 K CA 0.057 56.336 56.287 -0.014 0.000 0.900 735 K CB 0.626 33.121 32.500 -0.007 0.000 1.124 735 K HN 0.526 nan 8.250 nan 0.000 0.469 736 I N 2.658 123.237 120.570 0.015 0.000 2.331 736 I HA 0.574 4.744 4.170 -0.000 0.000 0.292 736 I C 0.730 176.816 176.117 -0.052 0.000 0.998 736 I CA -0.160 61.190 61.300 0.084 0.000 1.267 736 I CB 1.519 39.570 38.000 0.085 0.000 1.386 736 I HN 0.748 nan 8.210 nan 0.000 0.476 737 G N 4.837 113.652 108.800 0.025 0.000 2.325 737 G HA2 -0.008 3.951 3.960 -0.000 0.000 0.295 737 G HA3 -0.008 3.951 3.960 -0.000 0.000 0.295 737 G C -1.375 173.623 174.900 0.163 0.000 1.274 737 G CA -0.841 44.192 45.100 -0.112 0.000 0.857 737 G HN 0.498 nan 8.290 nan 0.000 0.499 738 N N 1.657 120.406 118.700 0.083 0.000 2.359 738 N HA 0.074 4.814 4.740 -0.000 0.000 0.261 738 N C -0.735 174.838 175.510 0.104 0.000 1.267 738 N CA -0.711 52.419 53.050 0.133 0.000 0.864 738 N CB 1.535 40.045 38.487 0.038 0.000 1.063 738 N HN 0.140 nan 8.380 nan 0.000 0.474 739 P HA -0.130 nan 4.420 nan 0.000 0.220 739 P C 1.287 178.627 177.300 0.066 0.000 1.148 739 P CA 1.090 64.224 63.100 0.056 0.000 0.803 739 P CB 0.281 31.987 31.700 0.010 0.000 0.782 740 L N -0.813 120.429 121.223 0.033 0.000 2.552 740 L HA 0.034 4.374 4.340 -0.000 0.000 0.227 740 L C 1.193 178.043 176.870 -0.033 0.000 1.146 740 L CA 0.474 55.300 54.840 -0.022 0.000 0.858 740 L CB -0.579 41.430 42.059 -0.083 0.000 0.969 740 L HN -0.033 nan 8.230 nan 0.000 0.451 741 E N 0.495 120.696 120.200 0.002 0.000 2.283 741 E HA 0.136 4.486 4.350 -0.000 0.000 0.278 741 E C 0.469 177.084 176.600 0.025 0.000 1.027 741 E CA -0.461 55.937 56.400 -0.003 0.000 0.843 741 E CB 1.187 30.883 29.700 -0.007 0.000 1.062 741 E HN 0.051 nan 8.360 nan 0.000 0.401 742 R N 1.725 122.238 120.500 0.021 0.000 2.189 742 R HA -0.080 4.260 4.340 -0.000 0.000 0.218 742 R C 1.077 177.401 176.300 0.040 0.000 1.074 742 R CA 0.838 56.966 56.100 0.048 0.000 0.991 742 R CB -0.147 30.177 30.300 0.041 0.000 0.883 742 R HN 0.601 nan 8.270 nan 0.000 0.457 743 D N -0.353 120.060 120.400 0.022 0.000 2.317 743 D HA -0.047 4.593 4.640 -0.000 0.000 0.211 743 D C 0.050 176.364 176.300 0.023 0.000 0.966 743 D CA 0.195 54.205 54.000 0.017 0.000 0.876 743 D CB -0.434 40.367 40.800 0.002 0.000 0.927 743 D HN -0.154 nan 8.370 nan 0.000 0.519 744 T N 2.196 116.768 114.554 0.031 0.000 2.888 744 T HA 0.057 4.407 4.350 -0.000 0.000 0.301 744 T C 1.281 176.013 174.700 0.053 0.000 1.001 744 T CA -0.156 61.970 62.100 0.044 0.000 1.147 744 T CB 0.440 69.343 68.868 0.058 0.000 0.931 744 T HN 0.356 nan 8.240 nan 0.000 0.541 745 N N 2.075 120.814 118.700 0.064 0.000 2.171 745 N HA -0.004 4.736 4.740 -0.000 0.000 0.212 745 N C -0.219 175.364 175.510 0.122 0.000 1.184 745 N CA -0.321 52.772 53.050 0.072 0.000 0.888 745 N CB 0.555 39.077 38.487 0.058 0.000 1.038 745 N HN 0.630 nan 8.380 nan 0.000 0.517 746 H N 0.339 119.424 119.070 0.026 0.000 3.013 746 H HA 0.521 5.077 4.556 -0.000 0.000 0.326 746 H C -0.197 175.208 175.328 0.128 0.000 0.973 746 H CA -0.417 55.656 56.048 0.042 0.000 1.369 746 H CB 1.275 31.041 29.762 0.008 0.000 1.598 746 H HN 0.177 nan 8.280 nan 0.000 0.518 747 G N 3.751 112.400 108.800 -0.252 0.000 2.532 747 G HA2 0.407 4.367 3.960 -0.000 0.000 0.291 747 G HA3 0.407 4.367 3.960 -0.000 0.000 0.291 747 G C -2.525 172.053 174.900 -0.536 0.000 1.349 747 G CA -1.753 43.242 45.100 -0.175 0.000 1.038 747 G HN 0.521 nan 8.290 nan 0.000 0.518 748 P HA 0.175 nan 4.420 nan 0.000 0.276 748 P C -0.652 176.365 177.300 -0.471 0.000 1.244 748 P CA -0.452 61.941 63.100 -1.179 0.000 0.801 748 P CB 0.869 31.759 31.700 -1.350 0.000 1.006 749 Q N 1.169 120.817 119.800 -0.254 0.000 2.454 749 Q HA 0.013 4.353 4.340 -0.000 0.000 0.247 749 Q C 1.306 177.278 176.000 -0.047 0.000 1.028 749 Q CA 0.081 55.842 55.803 -0.069 0.000 0.910 749 Q CB -0.024 28.708 28.738 -0.010 0.000 1.276 749 Q HN 0.524 nan 8.270 nan 0.000 0.489 750 N N 0.859 119.544 118.700 -0.024 0.000 2.188 750 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 750 N C -0.040 175.491 175.510 0.035 0.000 1.018 750 N CA 1.063 54.112 53.050 -0.001 0.000 0.858 750 N CB 0.424 38.927 38.487 0.026 0.000 0.989 750 N HN 0.707 nan 8.380 nan 0.000 0.426 751 H N -2.743 116.179 119.070 -0.247 0.000 2.981 751 H HA 0.167 4.723 4.556 -0.000 0.000 0.327 751 H C 0.306 175.285 175.328 -0.582 0.000 1.342 751 H CA -0.574 55.275 56.048 -0.332 0.000 1.123 751 H CB 0.906 30.443 29.762 -0.375 0.000 1.851 751 H HN -0.107 nan 8.280 nan 0.000 0.531 752 E N 0.935 120.579 120.200 -0.927 0.000 2.072 752 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 752 E C 2.005 178.271 176.600 -0.557 0.000 0.985 752 E CA 1.481 57.184 56.400 -1.160 0.000 0.801 752 E CB -0.142 28.888 29.700 -1.116 0.000 0.750 752 E HN 0.620 nan 8.360 nan 0.000 0.452 753 A N 0.285 122.890 122.820 -0.359 0.000 1.940 753 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 753 A C 1.983 179.404 177.584 -0.271 0.000 1.176 753 A CA 2.036 53.945 52.037 -0.213 0.000 0.631 753 A CB -0.887 18.082 19.000 -0.052 0.000 0.814 753 A HN 0.494 nan 8.150 nan 0.000 0.446 754 H N -0.734 117.939 119.070 -0.662 0.000 2.363 754 H HA -0.000 4.556 4.556 -0.000 0.000 0.301 754 H C 1.755 176.864 175.328 -0.363 0.000 1.074 754 H CA 1.481 57.200 56.048 -0.548 0.000 1.354 754 H CB -0.321 28.912 29.762 -0.882 0.000 1.397 754 H HN 0.305 nan 8.280 nan 0.000 0.516 755 L N 0.424 121.361 121.223 -0.476 0.000 2.013 755 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 755 L C 2.105 178.819 176.870 -0.259 0.000 1.073 755 L CA 1.696 56.332 54.840 -0.341 0.000 0.753 755 L CB -0.404 41.571 42.059 -0.140 0.000 0.890 755 L HN 0.134 nan 8.230 nan 0.000 0.432 756 R N 0.268 120.649 120.500 -0.199 0.000 2.091 756 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 756 R C 2.263 178.510 176.300 -0.089 0.000 1.136 756 R CA 1.354 57.395 56.100 -0.099 0.000 0.959 756 R CB -1.217 29.037 30.300 -0.077 0.000 0.856 756 R HN 0.459 nan 8.270 nan 0.000 0.437 757 K N 1.375 121.696 120.400 -0.131 0.000 2.063 757 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 757 K C 2.097 178.642 176.600 -0.091 0.000 1.048 757 K CA 1.321 57.569 56.287 -0.065 0.000 0.928 757 K CB -0.249 32.239 32.500 -0.020 0.000 0.713 757 K HN 0.189 nan 8.250 nan 0.000 0.442 758 L N 0.626 121.640 121.223 -0.349 0.000 2.093 758 L HA -0.154 4.185 4.340 -0.000 0.000 0.208 758 L C 2.573 179.321 176.870 -0.203 0.000 1.085 758 L CA 0.641 55.179 54.840 -0.503 0.000 0.755 758 L CB -0.401 40.913 42.059 -1.243 0.000 0.904 758 L HN -0.083 nan 8.230 nan 0.000 0.435 759 V N -0.009 119.876 119.914 -0.048 0.000 2.261 759 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 759 V C 2.399 178.609 176.094 0.194 0.000 1.047 759 V CA 1.958 64.404 62.300 0.243 0.000 1.015 759 V CB -0.510 31.440 31.823 0.213 0.000 0.642 759 V HN 0.451 nan 8.190 nan 0.000 0.446 760 E N -0.990 119.282 120.200 0.120 0.000 2.058 760 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 760 E C 2.123 178.814 176.600 0.152 0.000 0.997 760 E CA 1.884 58.348 56.400 0.106 0.000 0.801 760 E CB -0.331 29.409 29.700 0.067 0.000 0.746 760 E HN 0.721 nan 8.360 nan 0.000 0.450 761 Y N 0.793 121.142 120.300 0.082 0.000 2.114 761 Y HA -0.328 4.222 4.550 -0.000 0.000 0.282 761 Y C 2.266 178.288 175.900 0.203 0.000 1.165 761 Y CA 1.515 59.711 58.100 0.160 0.000 1.148 761 Y CB -0.344 38.202 38.460 0.142 0.000 0.972 761 Y HN 0.090 nan 8.280 nan 0.000 0.504 762 C N 0.049 119.652 119.300 0.506 0.000 2.450 762 C HA -0.141 4.319 4.460 -0.000 0.000 0.279 762 C C 2.562 177.779 174.990 0.378 0.000 1.335 762 C CA 0.969 60.336 59.018 0.581 0.000 1.749 762 C CB -1.124 26.990 27.740 0.624 0.000 1.963 762 C HN 0.621 nan 8.230 nan 0.000 0.501 763 Q N 0.489 120.427 119.800 0.230 0.000 2.061 763 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 763 Q C 2.402 178.436 176.000 0.056 0.000 0.984 763 Q CA 1.633 57.515 55.803 0.133 0.000 0.846 763 Q CB -0.242 28.548 28.738 0.087 0.000 0.902 763 Q HN 0.599 nan 8.270 nan 0.000 0.421 764 R N 0.065 120.549 120.500 -0.027 0.000 2.105 764 R HA -0.134 4.206 4.340 -0.000 0.000 0.239 764 R C 2.179 178.394 176.300 -0.141 0.000 1.135 764 R CA 1.534 57.545 56.100 -0.147 0.000 0.967 764 R CB -0.487 29.602 30.300 -0.353 0.000 0.861 764 R HN 0.346 nan 8.270 nan 0.000 0.442 765 G N -0.489 108.218 108.800 -0.155 0.000 2.402 765 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 765 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 765 G C 1.345 176.171 174.900 -0.123 0.000 1.162 765 G CA 0.864 45.754 45.100 -0.350 0.000 0.777 765 G HN 0.223 nan 8.290 nan 0.000 0.539 766 V N 0.892 120.885 119.914 0.132 0.000 2.307 766 V HA -0.146 3.973 4.120 -0.000 0.000 0.245 766 V C 2.633 178.772 176.094 0.076 0.000 1.045 766 V CA 2.209 64.621 62.300 0.186 0.000 1.024 766 V CB -0.494 31.454 31.823 0.210 0.000 0.651 766 V HN 0.417 nan 8.190 nan 0.000 0.449 767 K N 0.862 121.284 120.400 0.037 0.000 2.020 767 K HA -0.274 4.046 4.320 -0.000 0.000 0.212 767 K C 2.090 178.691 176.600 0.002 0.000 1.050 767 K CA 2.260 58.553 56.287 0.010 0.000 0.929 767 K CB -0.230 32.259 32.500 -0.018 0.000 0.714 767 K HN 0.773 nan 8.250 nan 0.000 0.443 768 E N -1.170 119.017 120.200 -0.022 0.000 2.511 768 E HA -0.006 4.344 4.350 -0.000 0.000 0.196 768 E C 0.787 177.394 176.600 0.010 0.000 1.066 768 E CA 0.692 57.087 56.400 -0.008 0.000 0.871 768 E CB 0.290 29.971 29.700 -0.030 0.000 0.863 768 E HN 0.525 nan 8.360 nan 0.000 0.520 769 G N 0.454 109.263 108.800 0.015 0.000 2.184 769 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.206 769 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.206 769 G C 0.285 175.211 174.900 0.043 0.000 0.995 769 G CA -0.208 44.915 45.100 0.038 0.000 0.651 769 G HN 0.622 nan 8.290 nan 0.000 0.511 770 A N 0.633 123.463 122.820 0.017 0.000 2.401 770 A HA 0.657 4.976 4.320 -0.000 0.000 0.259 770 A C 0.764 178.496 177.584 0.247 0.000 1.103 770 A CA 0.905 52.981 52.037 0.065 0.000 0.789 770 A CB 0.307 19.216 19.000 -0.152 0.000 1.035 770 A HN 0.759 nan 8.150 nan 0.000 0.491 771 T N 3.353 118.059 114.554 0.253 0.000 2.752 771 T HA 0.248 4.597 4.350 -0.000 0.000 0.295 771 T C 0.065 174.938 174.700 0.287 0.000 0.923 771 T CA 0.096 62.334 62.100 0.229 0.000 1.112 771 T CB -0.089 68.873 68.868 0.158 0.000 0.884 771 T HN 0.466 nan 8.240 nan 0.000 0.525 772 L N 6.540 127.864 121.223 0.168 0.000 2.385 772 L HA 0.222 4.562 4.340 -0.000 0.000 0.281 772 L C 0.954 177.766 176.870 -0.097 0.000 1.106 772 L CA 0.369 55.132 54.840 -0.128 0.000 0.856 772 L CB 0.242 42.224 42.059 -0.128 0.000 1.186 772 L HN 0.514 nan 8.230 nan 0.000 0.453 773 V N 3.889 123.729 119.914 -0.123 0.000 2.725 773 V HA 0.022 4.142 4.120 -0.000 0.000 0.247 773 V C 0.692 176.730 176.094 -0.094 0.000 1.058 773 V CA 1.080 63.343 62.300 -0.063 0.000 1.080 773 V CB -0.127 31.684 31.823 -0.020 0.000 0.713 773 V HN 0.979 nan 8.190 nan 0.000 0.465 774 C N -3.287 115.923 119.300 -0.149 0.000 3.292 774 C HA 0.785 5.244 4.460 -0.000 0.000 0.338 774 C C 0.520 175.391 174.990 -0.198 0.000 1.323 774 C CA -0.554 58.374 59.018 -0.149 0.000 1.232 774 C CB 0.961 28.627 27.740 -0.124 0.000 1.517 774 C HN 1.229 nan 8.230 nan 0.000 0.470 775 G N 0.507 109.186 108.800 -0.202 0.000 2.562 775 G HA2 0.403 4.363 3.960 -0.000 0.000 0.250 775 G HA3 0.403 4.363 3.960 -0.000 0.000 0.250 775 G C 1.125 175.870 174.900 -0.258 0.000 1.269 775 G CA 1.990 46.934 45.100 -0.260 0.000 0.919 775 G HN 3.290 nan 8.290 nan 0.000 0.574 776 G N -2.033 106.582 108.800 -0.308 0.000 2.253 776 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.209 776 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.209 776 G C 0.117 174.937 174.900 -0.132 0.000 0.997 776 G CA 1.022 46.057 45.100 -0.108 0.000 0.640 776 G HN 1.574 nan 8.290 nan 0.000 0.496 777 N N 0.286 118.728 118.700 -0.431 0.000 2.312 777 N HA 0.416 5.156 4.740 -0.000 0.000 0.296 777 N C -0.271 174.992 175.510 -0.412 0.000 1.193 777 N CA -0.621 52.278 53.050 -0.251 0.000 0.773 777 N CB 1.513 39.926 38.487 -0.122 0.000 1.435 777 N HN 0.433 nan 8.380 nan 0.000 0.484 778 Q N 0.680 120.468 119.800 -0.019 0.000 2.333 778 Q HA 0.041 4.380 4.340 -0.000 0.000 0.299 778 Q C -0.703 175.291 176.000 -0.010 0.000 1.067 778 Q CA 0.050 55.904 55.803 0.086 0.000 0.943 778 Q CB 0.545 29.392 28.738 0.181 0.000 1.233 778 Q HN 0.310 nan 8.270 nan 0.000 0.401 779 V N 7.253 127.189 119.914 0.038 0.000 2.555 779 V HA 0.180 4.300 4.120 -0.000 0.000 0.286 779 V C -1.812 174.286 176.094 0.006 0.000 1.044 779 V CA -1.231 61.067 62.300 -0.003 0.000 1.026 779 V CB 0.927 32.764 31.823 0.024 0.000 0.981 779 V HN 0.868 nan 8.190 nan 0.000 0.480 780 P HA 0.223 nan 4.420 nan 0.000 0.237 780 P C -0.520 176.744 177.300 -0.060 0.000 1.788 780 P CA -0.086 62.997 63.100 -0.029 0.000 1.061 780 P CB -0.174 31.504 31.700 -0.037 0.000 1.967 781 R N 1.265 121.729 120.500 -0.060 0.000 2.752 781 R HA 0.773 5.113 4.340 -0.000 0.000 0.271 781 R C -3.045 173.225 176.300 -0.050 0.000 1.026 781 R CA -2.314 53.721 56.100 -0.109 0.000 0.901 781 R CB -0.572 29.575 30.300 -0.255 0.000 1.243 781 R HN -0.113 nan 8.270 nan 0.000 0.463 782 P HA 0.259 nan 4.420 nan 0.000 0.271 782 P C 0.169 177.475 177.300 0.010 0.000 1.233 782 P CA 0.961 64.036 63.100 -0.041 0.000 0.789 782 P CB 0.468 32.133 31.700 -0.058 0.000 0.951 783 G N 0.261 108.948 108.800 -0.188 0.000 2.693 783 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.226 783 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.226 783 G C -0.796 173.902 174.900 -0.337 0.000 1.354 783 G CA -0.615 44.176 45.100 -0.515 0.000 0.873 783 G HN 0.334 nan 8.290 nan 0.000 0.562 784 F N 0.484 120.448 119.950 0.023 0.000 2.550 784 F HA 0.566 5.092 4.527 -0.000 0.000 0.312 784 F C 0.351 176.099 175.800 -0.087 0.000 1.256 784 F CA -1.138 56.850 58.000 -0.021 0.000 1.182 784 F CB -0.038 38.907 39.000 -0.092 0.000 1.383 784 F HN 0.287 nan 8.300 nan 0.000 0.541 785 F N 0.942 120.982 119.950 0.150 0.000 2.394 785 F HA 0.449 4.976 4.527 -0.000 0.000 0.340 785 F C -0.125 175.815 175.800 0.233 0.000 1.105 785 F CA -0.791 57.292 58.000 0.138 0.000 1.124 785 F CB 1.037 40.074 39.000 0.061 0.000 1.145 785 F HN 0.064 nan 8.300 nan 0.000 0.505 786 F N 2.309 122.416 119.950 0.261 0.000 2.551 786 F HA 0.410 4.937 4.527 -0.000 0.000 0.316 786 F C -0.455 175.471 175.800 0.210 0.000 1.089 786 F CA -0.876 57.237 58.000 0.189 0.000 0.915 786 F CB 1.424 40.489 39.000 0.110 0.000 1.186 786 F HN 0.427 nan 8.300 nan 0.000 0.456 787 Q N 5.939 125.378 119.800 -0.602 0.000 2.313 787 Q HA 0.229 4.568 4.340 -0.000 0.000 0.266 787 Q C -2.321 173.477 176.000 -0.337 0.000 0.989 787 Q CA -1.688 53.853 55.803 -0.435 0.000 0.890 787 Q CB 0.402 28.858 28.738 -0.472 0.000 1.200 787 Q HN 0.297 nan 8.270 nan 0.000 0.396 788 P HA -0.065 nan 4.420 nan 0.000 0.261 788 P C -1.052 176.128 177.300 -0.200 0.000 1.183 788 P CA 0.537 63.371 63.100 -0.444 0.000 0.761 788 P CB 0.585 31.701 31.700 -0.973 0.000 0.785 789 T N 2.729 117.346 114.554 0.104 0.000 2.863 789 T HA 0.485 4.835 4.350 -0.000 0.000 0.285 789 T C -0.511 174.262 174.700 0.122 0.000 1.009 789 T CA -0.470 61.658 62.100 0.046 0.000 0.989 789 T CB 1.208 70.146 68.868 0.118 0.000 1.004 789 T HN -0.055 nan 8.240 nan 0.000 0.455 790 V N 3.514 123.404 119.914 -0.040 0.000 2.483 790 V HA 0.526 4.646 4.120 -0.000 0.000 0.297 790 V C -1.126 174.900 176.094 -0.113 0.000 1.027 790 V CA -0.853 61.456 62.300 0.015 0.000 0.855 790 V CB 1.047 32.893 31.823 0.039 0.000 0.995 790 V HN 0.779 nan 8.190 nan 0.000 0.424 791 F N 3.119 123.134 119.950 0.109 0.000 2.443 791 F HA 0.701 5.228 4.527 -0.000 0.000 0.335 791 F C 0.899 176.751 175.800 0.087 0.000 1.104 791 F CA -0.246 57.811 58.000 0.095 0.000 1.013 791 F CB 2.201 41.261 39.000 0.099 0.000 1.136 791 F HN 0.621 nan 8.300 nan 0.000 0.470 792 T N -2.067 112.672 114.554 0.308 0.000 2.841 792 T HA 0.353 4.703 4.350 -0.000 0.000 0.276 792 T C -0.526 174.298 174.700 0.206 0.000 1.003 792 T CA -0.843 61.412 62.100 0.258 0.000 0.995 792 T CB 1.188 70.220 68.868 0.274 0.000 1.260 792 T HN 0.531 nan 8.240 nan 0.000 0.581 793 D N -0.296 120.198 120.400 0.156 0.000 2.701 793 D HA -0.114 4.526 4.640 -0.000 0.000 0.235 793 D C -0.352 175.973 176.300 0.041 0.000 1.155 793 D CA 0.344 54.390 54.000 0.076 0.000 0.649 793 D CB -1.803 39.041 40.800 0.073 0.000 1.050 793 D HN 0.483 nan 8.370 nan 0.000 0.425 794 V N 0.613 120.542 119.914 0.024 0.000 2.498 794 V HA 0.171 4.290 4.120 -0.000 0.000 0.279 794 V C 0.822 176.875 176.094 -0.070 0.000 1.048 794 V CA -0.134 62.135 62.300 -0.052 0.000 0.967 794 V CB 1.936 33.716 31.823 -0.071 0.000 0.988 794 V HN 0.002 nan 8.190 nan 0.000 0.473 795 E N 2.555 122.669 120.200 -0.144 0.000 2.207 795 E HA 0.300 4.650 4.350 -0.000 0.000 0.270 795 E C 0.075 176.552 176.600 -0.204 0.000 0.927 795 E CA -0.677 55.636 56.400 -0.145 0.000 0.799 795 E CB 1.768 31.360 29.700 -0.179 0.000 1.172 795 E HN 0.580 nan 8.360 nan 0.000 0.404 796 D N 0.550 120.926 120.400 -0.041 0.000 2.190 796 D HA -0.198 4.442 4.640 -0.000 0.000 0.200 796 D C 1.567 177.865 176.300 -0.005 0.000 0.992 796 D CA 1.622 55.635 54.000 0.021 0.000 0.854 796 D CB -0.218 40.645 40.800 0.106 0.000 0.936 796 D HN 0.605 nan 8.370 nan 0.000 0.462 797 H N -1.156 117.934 119.070 0.034 0.000 2.529 797 H HA 0.176 4.732 4.556 -0.000 0.000 0.277 797 H C 0.868 176.211 175.328 0.025 0.000 0.999 797 H CA -0.110 55.955 56.048 0.028 0.000 1.256 797 H CB -0.391 29.386 29.762 0.025 0.000 1.402 797 H HN 0.008 nan 8.280 nan 0.000 0.566 798 M N 0.880 120.248 119.600 -0.386 0.000 2.249 798 M HA -0.045 4.435 4.480 -0.000 0.000 0.340 798 M C 0.940 177.208 176.300 -0.053 0.000 1.166 798 M CA -0.007 55.166 55.300 -0.213 0.000 1.115 798 M CB 0.437 32.865 32.600 -0.286 0.000 1.606 798 M HN 0.332 nan 8.290 nan 0.000 0.448 799 Y N 3.793 124.013 120.300 -0.134 0.000 2.207 799 Y HA -0.245 4.305 4.550 -0.000 0.000 0.287 799 Y C 1.748 177.543 175.900 -0.175 0.000 1.156 799 Y CA 2.327 60.350 58.100 -0.129 0.000 1.182 799 Y CB -0.150 38.215 38.460 -0.158 0.000 0.979 799 Y HN 0.724 nan 8.280 nan 0.000 0.521 800 I N -1.497 118.954 120.570 -0.198 0.000 3.111 800 I HA 0.095 4.265 4.170 -0.000 0.000 0.272 800 I C 2.064 178.109 176.117 -0.120 0.000 1.268 800 I CA 1.237 62.370 61.300 -0.278 0.000 1.467 800 I CB -0.572 37.209 38.000 -0.365 0.000 1.087 800 I HN 0.174 nan 8.210 nan 0.000 0.467 801 A N 1.468 124.210 122.820 -0.128 0.000 2.123 801 A HA 0.074 4.394 4.320 -0.000 0.000 0.214 801 A C 2.212 179.780 177.584 -0.026 0.000 1.152 801 A CA 0.780 52.772 52.037 -0.075 0.000 0.728 801 A CB -0.177 18.772 19.000 -0.084 0.000 0.814 801 A HN 0.510 nan 8.150 nan 0.000 0.464 802 K N -0.966 119.394 120.400 -0.067 0.000 2.387 802 K HA 0.176 4.496 4.320 -0.000 0.000 0.197 802 K C -0.165 176.431 176.600 -0.007 0.000 1.127 802 K CA 0.060 56.336 56.287 -0.018 0.000 0.950 802 K CB 0.436 32.917 32.500 -0.033 0.000 1.017 802 K HN 0.173 nan 8.250 nan 0.000 0.519 803 E N 2.105 122.191 120.200 -0.190 0.000 2.231 803 E HA 0.090 4.440 4.350 -0.000 0.000 0.277 803 E C -1.169 175.486 176.600 0.093 0.000 0.999 803 E CA -0.282 56.038 56.400 -0.133 0.000 0.827 803 E CB 1.306 30.653 29.700 -0.588 0.000 1.101 803 E HN 0.050 nan 8.360 nan 0.000 0.393 804 E N 1.683 121.932 120.200 0.081 0.000 2.257 804 E HA 0.050 4.400 4.350 -0.000 0.000 0.278 804 E C 0.403 177.016 176.600 0.022 0.000 1.049 804 E CA 0.078 56.493 56.400 0.026 0.000 0.876 804 E CB 0.602 30.238 29.700 -0.107 0.000 1.035 804 E HN 0.582 nan 8.360 nan 0.000 0.419 805 S N 4.754 120.356 115.700 -0.162 0.000 2.377 805 S HA -0.131 4.339 4.470 -0.000 0.000 0.223 805 S C 0.915 175.519 174.600 0.007 0.000 1.030 805 S CA 0.359 58.244 58.200 -0.526 0.000 0.970 805 S CB -0.283 62.352 63.200 -0.941 0.000 0.830 805 S HN 0.799 nan 8.310 nan 0.000 0.473 806 F N 1.482 121.378 119.950 -0.090 0.000 3.074 806 F HA -0.028 4.499 4.527 -0.000 0.000 0.289 806 F C 0.479 176.376 175.800 0.160 0.000 0.863 806 F CA 0.520 58.541 58.000 0.034 0.000 1.121 806 F CB -1.197 37.837 39.000 0.057 0.000 1.169 806 F HN 0.615 nan 8.300 nan 0.000 0.570 807 G N -0.686 108.139 108.800 0.041 0.000 2.766 807 G HA2 0.661 4.621 3.960 -0.000 0.000 0.288 807 G HA3 0.661 4.621 3.960 -0.000 0.000 0.288 807 G C -3.026 171.927 174.900 0.088 0.000 1.408 807 G CA -0.774 44.338 45.100 0.020 0.000 0.852 807 G HN -0.143 nan 8.290 nan 0.000 0.487 808 P HA 0.320 nan 4.420 nan 0.000 0.220 808 P C -0.693 176.908 177.300 0.502 0.000 1.806 808 P CA 0.035 63.413 63.100 0.464 0.000 0.976 808 P CB -0.415 31.632 31.700 0.578 0.000 1.952 809 I N 1.607 122.343 120.570 0.276 0.000 2.466 809 I HA 0.350 4.520 4.170 -0.000 0.000 0.279 809 I C 0.440 176.654 176.117 0.162 0.000 1.033 809 I CA -0.801 60.672 61.300 0.289 0.000 1.123 809 I CB 1.860 40.040 38.000 0.300 0.000 1.237 809 I HN 0.005 nan 8.210 nan 0.000 0.460 810 M N 7.457 127.135 119.600 0.129 0.000 2.146 810 M HA 0.458 4.938 4.480 -0.000 0.000 0.352 810 M C -1.092 175.301 176.300 0.155 0.000 1.343 810 M CA 0.117 55.430 55.300 0.023 0.000 1.115 810 M CB 0.441 33.015 32.600 -0.042 0.000 1.657 810 M HN 0.489 nan 8.290 nan 0.000 0.471 811 I N 7.597 128.227 120.570 0.099 0.000 2.405 811 I HA 0.332 4.502 4.170 -0.000 0.000 0.280 811 I C -0.849 175.269 176.117 0.001 0.000 1.027 811 I CA -0.381 60.993 61.300 0.124 0.000 1.161 811 I CB 0.796 38.850 38.000 0.091 0.000 1.300 811 I HN 0.648 nan 8.210 nan 0.000 0.463 812 I N 4.792 125.399 120.570 0.062 0.000 2.336 812 I HA 0.380 4.549 4.170 -0.000 0.000 0.292 812 I C 0.110 176.245 176.117 0.031 0.000 0.991 812 I CA -0.117 61.197 61.300 0.023 0.000 1.227 812 I CB 1.548 39.613 38.000 0.108 0.000 1.366 812 I HN 0.438 nan 8.210 nan 0.000 0.466 813 S N 5.623 121.273 115.700 -0.082 0.000 2.621 813 S HA 0.623 5.093 4.470 -0.000 0.000 0.302 813 S C -0.253 174.434 174.600 0.144 0.000 1.093 813 S CA -0.949 57.249 58.200 -0.004 0.000 1.017 813 S CB 1.814 64.953 63.200 -0.102 0.000 1.077 813 S HN 0.495 nan 8.310 nan 0.000 0.517 814 R N 0.579 121.151 120.500 0.120 0.000 2.596 814 R HA 0.700 5.040 4.340 -0.000 0.000 0.267 814 R C -0.942 175.506 176.300 0.246 0.000 1.026 814 R CA -0.579 55.571 56.100 0.083 0.000 1.087 814 R CB 0.616 30.834 30.300 -0.138 0.000 1.132 814 R HN 0.660 nan 8.270 nan 0.000 0.531 815 F N -1.642 118.347 119.950 0.065 0.000 2.613 815 F HA 0.734 5.261 4.527 -0.000 0.000 0.310 815 F C -0.714 175.108 175.800 0.037 0.000 1.085 815 F CA -1.661 56.370 58.000 0.052 0.000 0.945 815 F CB 1.018 40.038 39.000 0.034 0.000 1.298 815 F HN 0.577 nan 8.300 nan 0.000 0.455 816 A N 1.518 124.425 122.820 0.145 0.000 2.445 816 A HA 0.264 4.584 4.320 -0.000 0.000 0.242 816 A C -0.166 177.458 177.584 0.066 0.000 1.075 816 A CA -0.457 51.613 52.037 0.056 0.000 0.777 816 A CB -0.150 18.904 19.000 0.090 0.000 1.013 816 A HN 0.771 nan 8.150 nan 0.000 0.493 817 D N 0.845 121.249 120.400 0.007 0.000 2.493 817 D HA 0.316 4.956 4.640 -0.000 0.000 0.240 817 D C 1.344 177.717 176.300 0.120 0.000 1.142 817 D CA 1.969 55.998 54.000 0.048 0.000 0.872 817 D CB 0.734 41.549 40.800 0.025 0.000 1.173 817 D HN 1.077 nan 8.370 nan 0.000 0.467 818 G N 2.645 111.554 108.800 0.182 0.000 2.225 818 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.254 818 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.254 818 G C 0.184 175.201 174.900 0.196 0.000 0.988 818 G CA -0.060 45.135 45.100 0.157 0.000 0.625 818 G HN 0.528 nan 8.290 nan 0.000 0.527 819 D N -0.122 120.444 120.400 0.278 0.000 2.424 819 D HA 0.520 5.159 4.640 -0.000 0.000 0.244 819 D C 1.190 177.678 176.300 0.313 0.000 1.134 819 D CA 0.540 54.699 54.000 0.265 0.000 0.881 819 D CB 1.739 42.717 40.800 0.297 0.000 1.191 819 D HN 0.132 nan 8.370 nan 0.000 0.445 820 V N 1.834 121.855 119.914 0.178 0.000 3.279 820 V HA -0.052 4.068 4.120 -0.000 0.000 0.213 820 V C 1.332 177.487 176.094 0.102 0.000 1.335 820 V CA 0.029 62.442 62.300 0.188 0.000 1.317 820 V CB 0.000 31.913 31.823 0.149 0.000 1.209 820 V HN 0.348 nan 8.190 nan 0.000 0.525 821 D N 1.327 121.789 120.400 0.104 0.000 2.178 821 D HA -0.058 4.582 4.640 -0.000 0.000 0.201 821 D C 2.057 178.360 176.300 0.005 0.000 0.980 821 D CA 1.596 55.645 54.000 0.082 0.000 0.842 821 D CB -0.052 40.803 40.800 0.092 0.000 0.948 821 D HN 0.430 nan 8.370 nan 0.000 0.472 822 A N 0.480 123.301 122.820 0.001 0.000 1.873 822 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 822 A C 2.397 179.908 177.584 -0.122 0.000 1.186 822 A CA 1.217 53.240 52.037 -0.023 0.000 0.616 822 A CB -0.871 18.146 19.000 0.029 0.000 0.823 822 A HN 0.180 nan 8.150 nan 0.000 0.442 823 V N -0.000 119.773 119.914 -0.235 0.000 2.427 823 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 823 V C 2.405 178.171 176.094 -0.547 0.000 1.051 823 V CA 1.965 63.937 62.300 -0.546 0.000 1.048 823 V CB -0.455 30.717 31.823 -1.085 0.000 0.666 823 V HN 0.571 nan 8.190 nan 0.000 0.456 824 L N -0.003 121.029 121.223 -0.317 0.000 2.012 824 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 824 L C 2.798 179.554 176.870 -0.191 0.000 1.073 824 L CA 2.118 56.821 54.840 -0.229 0.000 0.748 824 L CB -0.753 41.243 42.059 -0.106 0.000 0.891 824 L HN 0.465 nan 8.230 nan 0.000 0.431 825 S N -0.157 115.460 115.700 -0.138 0.000 2.370 825 S HA -0.208 4.262 4.470 -0.000 0.000 0.226 825 S C 2.122 176.664 174.600 -0.097 0.000 1.033 825 S CA 1.370 59.517 58.200 -0.089 0.000 1.011 825 S CB -0.095 63.075 63.200 -0.050 0.000 0.852 825 S HN 0.344 nan 8.310 nan 0.000 0.457 826 R N 0.651 121.055 120.500 -0.160 0.000 2.073 826 R HA 0.131 4.471 4.340 -0.000 0.000 0.229 826 R C 2.732 178.955 176.300 -0.128 0.000 1.120 826 R CA 1.193 57.223 56.100 -0.117 0.000 0.967 826 R CB -0.612 29.615 30.300 -0.121 0.000 0.862 826 R HN 0.486 nan 8.270 nan 0.000 0.436 827 A N 1.583 124.170 122.820 -0.389 0.000 1.933 827 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 827 A C 1.562 179.127 177.584 -0.032 0.000 1.175 827 A CA 1.411 53.308 52.037 -0.233 0.000 0.628 827 A CB -0.286 18.479 19.000 -0.390 0.000 0.814 827 A HN 0.227 nan 8.150 nan 0.000 0.444 828 N N 0.050 118.717 118.700 -0.056 0.000 2.398 828 N HA 0.125 4.865 4.740 -0.000 0.000 0.188 828 N C 0.640 176.160 175.510 0.017 0.000 1.122 828 N CA 0.790 53.838 53.050 -0.005 0.000 0.866 828 N CB -0.122 38.352 38.487 -0.022 0.000 0.970 828 N HN 0.384 nan 8.380 nan 0.000 0.462 829 A N 0.782 123.614 122.820 0.020 0.000 3.051 829 A HA 0.264 4.584 4.320 -0.000 0.000 0.257 829 A C 0.416 178.026 177.584 0.042 0.000 1.785 829 A CA 0.100 52.154 52.037 0.028 0.000 1.420 829 A CB -0.498 18.521 19.000 0.032 0.000 1.063 829 A HN 0.038 nan 8.150 nan 0.000 0.630 830 T N -1.312 113.263 114.554 0.035 0.000 2.889 830 T HA 0.319 4.669 4.350 -0.000 0.000 0.315 830 T C 0.080 174.757 174.700 -0.038 0.000 1.291 830 T CA -0.407 61.708 62.100 0.025 0.000 1.028 830 T CB 1.258 70.205 68.868 0.132 0.000 1.235 830 T HN 0.227 nan 8.240 nan 0.000 0.491 831 E N 1.815 121.902 120.200 -0.187 0.000 2.502 831 E HA 0.168 4.518 4.350 -0.000 0.000 0.194 831 E C -0.165 176.282 176.600 -0.255 0.000 1.062 831 E CA 0.259 56.510 56.400 -0.248 0.000 0.867 831 E CB 0.002 29.501 29.700 -0.335 0.000 0.888 831 E HN 0.475 nan 8.360 nan 0.000 0.510 832 F N -0.016 119.958 119.950 0.039 0.000 2.380 832 F HA 0.545 5.072 4.527 -0.000 0.000 0.319 832 F C 1.359 177.187 175.800 0.046 0.000 1.113 832 F CA -0.814 57.209 58.000 0.038 0.000 1.056 832 F CB 1.521 40.541 39.000 0.034 0.000 1.289 832 F HN -0.168 nan 8.300 nan 0.000 0.515 833 G N 1.108 110.067 108.800 0.264 0.000 4.836 833 G HA2 0.289 4.249 3.960 -0.000 0.000 0.222 833 G HA3 0.289 4.249 3.960 -0.000 0.000 0.222 833 G C -0.281 174.587 174.900 -0.053 0.000 1.332 833 G CA -0.155 45.018 45.100 0.121 0.000 0.606 833 G HN 0.556 nan 8.290 nan 0.000 0.357 834 L N 0.561 121.768 121.223 -0.027 0.000 2.187 834 L HA 0.847 5.187 4.340 -0.000 0.000 0.197 834 L C 1.206 178.012 176.870 -0.106 0.000 1.090 834 L CA 1.919 56.700 54.840 -0.098 0.000 0.781 834 L CB 0.054 42.099 42.059 -0.022 0.000 0.956 834 L HN 0.429 nan 8.230 nan 0.000 0.463 835 A N -1.936 120.884 122.820 -0.000 0.000 2.524 835 A HA 0.856 5.176 4.320 -0.000 0.000 0.286 835 A C -0.906 176.714 177.584 0.059 0.000 1.203 835 A CA 0.212 52.248 52.037 -0.001 0.000 0.736 835 A CB 1.193 20.283 19.000 0.151 0.000 1.322 835 A HN 0.415 nan 8.150 nan 0.000 0.424 836 S N -2.015 113.734 115.700 0.082 0.000 2.645 836 S HA 0.754 5.224 4.470 -0.000 0.000 0.268 836 S C -0.515 174.224 174.600 0.233 0.000 1.110 836 S CA -0.082 58.215 58.200 0.161 0.000 0.823 836 S CB 0.627 63.858 63.200 0.051 0.000 1.091 836 S HN 2.521 nan 8.310 nan 0.000 0.466 837 G N -0.837 108.121 108.800 0.263 0.000 2.677 837 G HA2 0.735 4.695 3.960 -0.000 0.000 0.291 837 G HA3 0.735 4.695 3.960 -0.000 0.000 0.291 837 G C -1.909 173.053 174.900 0.103 0.000 1.435 837 G CA -0.247 45.027 45.100 0.290 0.000 0.826 837 G HN 1.719 nan 8.290 nan 0.000 0.491 838 V N 0.496 120.500 119.914 0.150 0.000 2.711 838 V HA 0.749 4.869 4.120 -0.000 0.000 0.304 838 V C -1.804 174.530 176.094 0.401 0.000 1.097 838 V CA -0.988 61.412 62.300 0.166 0.000 0.906 838 V CB 1.492 33.465 31.823 0.250 0.000 1.015 838 V HN 0.587 nan 8.190 nan 0.000 0.427 839 F N 4.440 124.539 119.950 0.249 0.000 2.402 839 F HA 0.862 5.388 4.527 -0.000 0.000 0.355 839 F C 0.400 176.384 175.800 0.306 0.000 1.123 839 F CA -0.706 57.429 58.000 0.225 0.000 1.021 839 F CB 1.626 40.725 39.000 0.166 0.000 1.160 839 F HN 0.576 nan 8.300 nan 0.000 0.451 840 T N 2.847 117.651 114.554 0.417 0.000 2.977 840 T HA 0.288 4.638 4.350 -0.000 0.000 0.345 840 T C 0.487 175.288 174.700 0.168 0.000 1.562 840 T CA -0.613 61.662 62.100 0.291 0.000 1.090 840 T CB 1.212 70.206 68.868 0.210 0.000 1.383 840 T HN 0.700 nan 8.240 nan 0.000 0.484 841 R N 1.131 121.702 120.500 0.119 0.000 2.297 841 R HA 0.094 4.433 4.340 -0.000 0.000 0.197 841 R C -0.173 176.155 176.300 0.047 0.000 0.943 841 R CA 0.035 56.180 56.100 0.075 0.000 1.038 841 R CB 0.085 30.423 30.300 0.063 0.000 0.957 841 R HN 0.514 nan 8.270 nan 0.000 0.484 842 D N 1.273 121.690 120.400 0.028 0.000 2.336 842 D HA 0.009 4.649 4.640 -0.000 0.000 0.249 842 D C 1.058 177.357 176.300 -0.002 0.000 1.213 842 D CA -0.068 53.927 54.000 -0.007 0.000 0.870 842 D CB 0.680 41.445 40.800 -0.058 0.000 1.076 842 D HN -0.028 nan 8.370 nan 0.000 0.483 843 I N 4.064 124.640 120.570 0.009 0.000 2.194 843 I HA -0.347 3.823 4.170 -0.000 0.000 0.246 843 I C 1.249 177.375 176.117 0.015 0.000 1.093 843 I CA 1.226 62.537 61.300 0.019 0.000 1.355 843 I CB 0.117 38.128 38.000 0.019 0.000 1.046 843 I HN 0.367 nan 8.210 nan 0.000 0.413 844 N N 0.895 119.592 118.700 -0.005 0.000 2.142 844 N HA -0.212 4.528 4.740 -0.000 0.000 0.186 844 N C 1.763 177.278 175.510 0.008 0.000 1.023 844 N CA 1.195 54.243 53.050 -0.003 0.000 0.852 844 N CB -0.363 38.103 38.487 -0.035 0.000 0.998 844 N HN 0.406 nan 8.380 nan 0.000 0.424 845 K N 0.777 121.145 120.400 -0.053 0.000 2.025 845 K HA 0.022 4.342 4.320 -0.000 0.000 0.207 845 K C 1.955 178.560 176.600 0.009 0.000 1.049 845 K CA 1.085 57.315 56.287 -0.094 0.000 0.933 845 K CB -0.077 32.226 32.500 -0.328 0.000 0.714 845 K HN 0.093 nan 8.250 nan 0.000 0.438 846 A N 1.407 124.242 122.820 0.024 0.000 1.865 846 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 846 A C 2.117 179.753 177.584 0.086 0.000 1.191 846 A CA 1.533 53.621 52.037 0.085 0.000 0.623 846 A CB -0.758 18.296 19.000 0.090 0.000 0.826 846 A HN 0.296 nan 8.150 nan 0.000 0.444 847 L N -2.464 118.805 121.223 0.077 0.000 2.056 847 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 847 L C 2.629 179.549 176.870 0.083 0.000 1.078 847 L CA 1.832 56.714 54.840 0.071 0.000 0.749 847 L CB -0.728 41.370 42.059 0.063 0.000 0.901 847 L HN 0.586 nan 8.230 nan 0.000 0.433 848 Y N 0.516 120.811 120.300 -0.008 0.000 2.097 848 Y HA -0.254 4.296 4.550 -0.000 0.000 0.282 848 Y C 2.442 178.344 175.900 0.002 0.000 1.152 848 Y CA 1.779 59.872 58.100 -0.010 0.000 1.136 848 Y CB -0.342 38.101 38.460 -0.027 0.000 0.975 848 Y HN -0.176 nan 8.280 nan 0.000 0.498 849 V N 0.224 120.182 119.914 0.072 0.000 2.295 849 V HA -0.331 3.789 4.120 -0.000 0.000 0.246 849 V C 2.550 178.620 176.094 -0.041 0.000 1.049 849 V CA 2.203 64.511 62.300 0.014 0.000 1.024 849 V CB -1.186 30.736 31.823 0.165 0.000 0.648 849 V HN 0.647 nan 8.190 nan 0.000 0.447 850 S N -0.193 115.506 115.700 -0.002 0.000 2.382 850 S HA -0.254 4.216 4.470 -0.000 0.000 0.228 850 S C 1.674 176.243 174.600 -0.052 0.000 1.027 850 S CA 1.546 59.737 58.200 -0.015 0.000 0.991 850 S CB -0.592 62.612 63.200 0.007 0.000 0.823 850 S HN 0.557 nan 8.310 nan 0.000 0.469 851 D N 1.768 122.116 120.400 -0.086 0.000 2.123 851 D HA -0.051 4.589 4.640 -0.000 0.000 0.196 851 D C 1.958 178.168 176.300 -0.150 0.000 0.992 851 D CA 1.148 55.080 54.000 -0.114 0.000 0.833 851 D CB -0.123 40.586 40.800 -0.152 0.000 0.954 851 D HN 0.330 nan 8.370 nan 0.000 0.455 852 K N -0.033 120.223 120.400 -0.240 0.000 2.305 852 K HA 0.103 4.423 4.320 -0.000 0.000 0.199 852 K C 0.792 177.324 176.600 -0.115 0.000 1.047 852 K CA -0.100 56.048 56.287 -0.232 0.000 0.976 852 K CB 0.050 32.318 32.500 -0.386 0.000 0.765 852 K HN 0.216 nan 8.250 nan 0.000 0.474 853 L N 2.881 124.057 121.223 -0.078 0.000 2.455 853 L HA -0.017 4.323 4.340 -0.000 0.000 0.272 853 L C 0.605 177.490 176.870 0.026 0.000 1.174 853 L CA 0.071 54.893 54.840 -0.031 0.000 0.869 853 L CB 0.405 42.449 42.059 -0.024 0.000 1.130 853 L HN -0.062 nan 8.230 nan 0.000 0.474 854 Q N 4.408 124.241 119.800 0.055 0.000 2.963 854 Q HA 0.490 4.830 4.340 -0.000 0.000 0.262 854 Q C -0.510 175.602 176.000 0.186 0.000 1.318 854 Q CA -0.097 55.801 55.803 0.158 0.000 1.089 854 Q CB 1.051 29.860 28.738 0.118 0.000 1.424 854 Q HN 0.627 nan 8.270 nan 0.000 0.560 855 A N -0.942 121.921 122.820 0.071 0.000 2.549 855 A HA 0.675 4.994 4.320 -0.000 0.000 0.297 855 A C 0.983 178.091 177.584 -0.793 0.000 1.061 855 A CA -0.255 51.625 52.037 -0.260 0.000 0.690 855 A CB 1.131 20.047 19.000 -0.141 0.000 1.287 855 A HN 0.404 nan 8.150 nan 0.000 0.402 856 G N 0.178 108.213 108.800 -1.276 0.000 2.462 856 G HA2 0.254 4.214 3.960 -0.000 0.000 0.220 856 G HA3 0.254 4.214 3.960 -0.000 0.000 0.220 856 G C 0.524 175.075 174.900 -0.582 0.000 1.121 856 G CA 1.730 46.048 45.100 -1.303 0.000 0.758 856 G HN 0.857 nan 8.290 nan 0.000 0.559 857 T N -0.580 113.704 114.554 -0.449 0.000 2.916 857 T HA 0.515 4.865 4.350 -0.000 0.000 0.298 857 T C -1.171 173.239 174.700 -0.483 0.000 1.031 857 T CA -0.419 61.407 62.100 -0.457 0.000 0.993 857 T CB 2.798 71.360 68.868 -0.511 0.000 1.045 857 T HN -0.107 nan 8.240 nan 0.000 0.454 858 V N 3.946 123.575 119.914 -0.476 0.000 2.483 858 V HA 0.538 4.658 4.120 -0.000 0.000 0.297 858 V C -1.081 174.783 176.094 -0.382 0.000 1.027 858 V CA -0.889 61.217 62.300 -0.324 0.000 0.855 858 V CB 1.006 32.750 31.823 -0.131 0.000 0.995 858 V HN 0.780 nan 8.190 nan 0.000 0.424 859 F N 4.930 124.840 119.950 -0.067 0.000 2.404 859 F HA 0.631 5.158 4.527 -0.000 0.000 0.339 859 F C 0.257 176.122 175.800 0.108 0.000 1.105 859 F CA -0.790 57.193 58.000 -0.028 0.000 1.087 859 F CB 1.283 40.203 39.000 -0.133 0.000 1.143 859 F HN 0.241 nan 8.300 nan 0.000 0.491 860 I N 3.920 124.678 120.570 0.313 0.000 2.410 860 I HA 0.253 4.423 4.170 -0.000 0.000 0.286 860 I C -0.357 175.930 176.117 0.284 0.000 1.009 860 I CA -0.637 60.834 61.300 0.286 0.000 1.111 860 I CB 1.023 39.129 38.000 0.177 0.000 1.262 860 I HN 0.583 nan 8.210 nan 0.000 0.443 861 N N 2.271 121.205 118.700 0.390 0.000 2.725 861 N HA -0.181 4.558 4.740 -0.000 0.000 0.249 861 N C -0.184 175.330 175.510 0.007 0.000 1.103 861 N CA 1.395 54.532 53.050 0.144 0.000 0.707 861 N CB -0.827 37.705 38.487 0.074 0.000 1.043 861 N HN 0.803 nan 8.380 nan 0.000 0.553 862 T N -1.943 112.730 114.554 0.198 0.000 0.000 862 T HA 0.630 4.980 4.350 -0.000 0.000 0.000 862 T C -2.273 172.561 174.700 0.223 0.000 0.000 862 T CA -0.516 61.636 62.100 0.085 0.000 0.000 862 T CB 1.316 70.196 68.868 0.020 0.000 0.000 862 T HN 0.121 nan 8.240 nan 0.000 0.000 863 Y N 0.769 120.923 120.300 -0.243 0.000 2.604 863 Y HA 0.398 4.948 4.550 -0.000 0.000 0.331 863 Y C 0.267 175.646 175.900 -0.869 0.000 1.158 863 Y CA -0.448 57.257 58.100 -0.658 0.000 1.056 863 Y CB 1.451 39.812 38.460 -0.167 0.000 1.330 863 Y HN 0.838 nan 8.280 nan 0.000 0.457 864 N N 1.174 119.062 118.700 -1.353 0.000 2.800 864 N HA -0.218 4.522 4.740 -0.000 0.000 0.250 864 N C -0.576 174.569 175.510 -0.608 0.000 1.078 864 N CA 1.227 53.818 53.050 -0.765 0.000 0.804 864 N CB -0.690 37.463 38.487 -0.557 0.000 1.135 864 N HN 0.438 nan 8.380 nan 0.000 0.565 865 K N 2.141 122.153 120.400 -0.647 0.000 2.187 865 K HA 0.183 4.503 4.320 -0.000 0.000 0.242 865 K C 0.074 176.696 176.600 0.037 0.000 1.179 865 K CA -0.156 56.017 56.287 -0.190 0.000 1.097 865 K CB -0.227 32.221 32.500 -0.087 0.000 1.634 865 K HN 0.247 nan 8.250 nan 0.000 0.335 866 T N -0.574 113.940 114.554 -0.067 0.000 2.874 866 T HA 0.407 4.757 4.350 -0.000 0.000 0.281 866 T C -0.460 174.167 174.700 -0.121 0.000 0.994 866 T CA -0.834 61.214 62.100 -0.087 0.000 1.015 866 T CB 1.277 70.045 68.868 -0.167 0.000 1.028 866 T HN 0.459 nan 8.240 nan 0.000 0.523 867 D N 0.130 120.418 120.400 -0.187 0.000 2.837 867 D HA 0.141 4.781 4.640 -0.000 0.000 0.220 867 D C 1.316 177.412 176.300 -0.339 0.000 1.236 867 D CA -0.637 53.240 54.000 -0.204 0.000 0.838 867 D CB 2.550 43.257 40.800 -0.156 0.000 1.647 867 D HN 0.473 nan 8.370 nan 0.000 0.486 868 V N 1.450 121.132 119.914 -0.387 0.000 2.688 868 V HA -0.037 4.083 4.120 -0.000 0.000 0.256 868 V C 1.681 177.206 176.094 -0.949 0.000 1.084 868 V CA 1.972 63.919 62.300 -0.588 0.000 1.103 868 V CB -0.891 30.647 31.823 -0.475 0.000 0.688 868 V HN 0.526 nan 8.190 nan 0.000 0.480 869 A N -0.003 122.337 122.820 -0.799 0.000 2.195 869 A HA 0.724 5.044 4.320 -0.000 0.000 0.210 869 A C 1.407 178.830 177.584 -0.269 0.000 1.165 869 A CA 0.596 52.226 52.037 -0.678 0.000 0.806 869 A CB -0.318 18.491 19.000 -0.319 0.000 0.847 869 A HN 1.038 nan 8.150 nan 0.000 0.482 870 A N 1.735 124.403 122.820 -0.253 0.000 2.258 870 A HA 0.638 4.958 4.320 -0.000 0.000 0.316 870 A C -2.754 174.755 177.584 -0.125 0.000 1.279 870 A CA -1.849 50.103 52.037 -0.142 0.000 0.876 870 A CB 0.340 19.265 19.000 -0.125 0.000 1.170 870 A HN 0.175 nan 8.150 nan 0.000 0.520 871 P HA 0.263 nan 4.420 nan 0.000 0.269 871 P C -0.942 176.363 177.300 0.008 0.000 1.209 871 P CA 0.202 63.285 63.100 -0.028 0.000 0.776 871 P CB 0.443 32.141 31.700 -0.004 0.000 0.876 872 F N 2.157 122.007 119.950 -0.166 0.000 2.536 872 F HA 0.712 5.239 4.527 -0.000 0.000 0.322 872 F C -0.588 175.159 175.800 -0.088 0.000 1.144 872 F CA -0.079 57.824 58.000 -0.161 0.000 0.924 872 F CB 1.820 40.688 39.000 -0.220 0.000 1.181 872 F HN 0.599 nan 8.300 nan 0.000 0.438 873 G N 2.524 110.866 108.800 -0.763 0.000 2.466 873 G HA2 0.508 4.467 3.960 -0.000 0.000 0.291 873 G HA3 0.508 4.467 3.960 -0.000 0.000 0.291 873 G C -1.492 173.097 174.900 -0.518 0.000 1.460 873 G CA -0.269 44.438 45.100 -0.655 0.000 0.791 873 G HN 1.036 nan 8.290 nan 0.000 0.505 874 G N -1.299 107.295 108.800 -0.343 0.000 2.552 874 G HA2 0.730 4.690 3.960 -0.000 0.000 0.324 874 G HA3 0.730 4.690 3.960 -0.000 0.000 0.324 874 G C -1.136 173.802 174.900 0.063 0.000 1.217 874 G CA -0.653 44.301 45.100 -0.244 0.000 0.989 874 G HN 0.359 nan 8.290 nan 0.000 0.490 875 F N -0.241 119.704 119.950 -0.009 0.000 2.572 875 F HA 0.584 5.111 4.527 -0.000 0.000 0.342 875 F C 1.222 177.050 175.800 0.047 0.000 1.064 875 F CA -1.246 56.766 58.000 0.019 0.000 1.008 875 F CB 1.344 40.347 39.000 0.005 0.000 1.303 875 F HN 0.647 nan 8.300 nan 0.000 0.492 876 K N -0.228 120.320 120.400 0.246 0.000 1.867 876 K HA -0.312 4.008 4.320 -0.000 0.000 0.140 876 K C 0.839 177.518 176.600 0.131 0.000 1.408 876 K CA 1.646 58.017 56.287 0.140 0.000 0.461 876 K CB -0.861 31.704 32.500 0.109 0.000 0.594 876 K HN 0.663 nan 8.250 nan 0.000 0.888 877 Q N 0.686 120.539 119.800 0.087 0.000 2.444 877 Q HA 0.081 4.421 4.340 -0.000 0.000 0.206 877 Q C 1.199 177.326 176.000 0.211 0.000 0.948 877 Q CA 0.463 56.315 55.803 0.082 0.000 0.946 877 Q CB 0.272 28.972 28.738 -0.063 0.000 1.027 877 Q HN 0.336 nan 8.270 nan 0.000 0.513 878 S N 0.200 116.050 115.700 0.248 0.000 2.607 878 S HA 0.149 4.619 4.470 -0.000 0.000 0.224 878 S C 0.850 175.464 174.600 0.022 0.000 0.969 878 S CA 0.448 58.749 58.200 0.168 0.000 0.927 878 S CB 0.183 63.450 63.200 0.111 0.000 0.772 878 S HN 0.665 nan 8.310 nan 0.000 0.533 879 G N 1.309 110.116 108.800 0.012 0.000 2.428 879 G HA2 0.029 3.989 3.960 -0.000 0.000 0.202 879 G HA3 0.029 3.989 3.960 -0.000 0.000 0.202 879 G C -0.921 173.939 174.900 -0.066 0.000 1.247 879 G CA -0.452 44.535 45.100 -0.188 0.000 1.020 879 G HN 0.651 nan 8.290 nan 0.000 0.529 880 F N -2.150 117.813 119.950 0.022 0.000 2.713 880 F HA 0.843 5.370 4.527 -0.000 0.000 0.311 880 F C 0.504 176.291 175.800 -0.022 0.000 1.141 880 F CA -0.317 57.691 58.000 0.013 0.000 0.939 880 F CB 1.169 40.173 39.000 0.006 0.000 1.325 880 F HN 2.527 nan 8.300 nan 0.000 0.453 881 G N 1.547 110.495 108.800 0.247 0.000 2.692 881 G HA2 0.250 4.209 3.960 -0.000 0.000 0.686 881 G HA3 0.250 4.209 3.960 -0.000 0.000 0.686 881 G C -1.903 173.001 174.900 0.006 0.000 1.243 881 G CA -1.163 44.005 45.100 0.113 0.000 0.782 881 G HN 0.701 nan 8.290 nan 0.000 0.625 882 K N 0.979 121.376 120.400 -0.004 0.000 2.259 882 K HA 0.605 4.925 4.320 -0.000 0.000 0.252 882 K C -0.752 175.863 176.600 0.025 0.000 0.936 882 K CA -0.880 55.395 56.287 -0.020 0.000 0.810 882 K CB 2.123 34.623 32.500 -0.001 0.000 1.143 882 K HN 0.568 nan 8.250 nan 0.000 0.427 883 D N 1.843 122.273 120.400 0.051 0.000 2.228 883 D HA 0.547 5.187 4.640 -0.000 0.000 0.247 883 D C 0.418 176.720 176.300 0.004 0.000 0.995 883 D CA -0.371 53.689 54.000 0.100 0.000 0.903 883 D CB 1.026 41.982 40.800 0.260 0.000 1.205 883 D HN 0.381 nan 8.370 nan 0.000 0.459 884 L N -0.209 121.022 121.223 0.013 0.000 0.584 884 L HA -0.108 4.232 4.340 -0.000 0.000 0.356 884 L C 0.657 177.588 176.870 0.101 0.000 0.992 884 L CA 0.437 55.266 54.840 -0.018 0.000 1.223 884 L CB -1.221 40.578 42.059 -0.434 0.000 0.009 884 L HN 0.847 nan 8.230 nan 0.000 0.091 885 G N 0.443 109.244 108.800 0.001 0.000 2.846 885 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.660 885 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.660 885 G C 0.407 175.474 174.900 0.279 0.000 1.464 885 G CA 0.724 45.890 45.100 0.109 0.000 0.891 885 G HN 1.179 nan 8.290 nan 0.000 0.552 886 E N 0.172 120.492 120.200 0.200 0.000 2.097 886 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 886 E C 2.848 179.369 176.600 -0.131 0.000 1.000 886 E CA 2.119 58.392 56.400 -0.212 0.000 0.804 886 E CB -0.365 29.198 29.700 -0.227 0.000 0.740 886 E HN 1.187 nan 8.360 nan 0.000 0.454 887 A N 1.125 123.934 122.820 -0.017 0.000 1.986 887 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 887 A C 2.375 179.968 177.584 0.014 0.000 1.171 887 A CA 1.908 53.939 52.037 -0.011 0.000 0.640 887 A CB -0.763 18.242 19.000 0.009 0.000 0.811 887 A HN 0.444 nan 8.150 nan 0.000 0.451 888 A N -0.358 122.514 122.820 0.085 0.000 2.019 888 A HA -0.016 4.303 4.320 -0.000 0.000 0.219 888 A C 2.072 179.715 177.584 0.097 0.000 1.164 888 A CA 1.391 53.490 52.037 0.103 0.000 0.644 888 A CB -0.551 18.544 19.000 0.158 0.000 0.805 888 A HN 0.505 nan 8.150 nan 0.000 0.449 889 L N -0.140 121.115 121.223 0.053 0.000 2.131 889 L HA -0.197 4.142 4.340 -0.000 0.000 0.210 889 L C 2.012 178.898 176.870 0.026 0.000 1.092 889 L CA 0.994 55.850 54.840 0.026 0.000 0.759 889 L CB -0.617 41.374 42.059 -0.114 0.000 0.903 889 L HN 0.362 nan 8.230 nan 0.000 0.435 890 N N -0.193 118.490 118.700 -0.029 0.000 2.309 890 N HA -0.148 4.592 4.740 -0.000 0.000 0.182 890 N C 1.641 177.108 175.510 -0.073 0.000 1.018 890 N CA 0.847 53.870 53.050 -0.046 0.000 0.876 890 N CB -0.118 38.337 38.487 -0.053 0.000 0.972 890 N HN 0.346 nan 8.380 nan 0.000 0.434 891 E N -0.176 119.944 120.200 -0.134 0.000 2.268 891 E HA -0.107 4.242 4.350 -0.000 0.000 0.195 891 E C 0.563 176.891 176.600 -0.453 0.000 0.995 891 E CA 0.808 57.006 56.400 -0.336 0.000 0.836 891 E CB -0.157 29.227 29.700 -0.527 0.000 0.763 891 E HN 0.544 nan 8.360 nan 0.000 0.491 892 Y N -0.579 119.699 120.300 -0.035 0.000 2.531 892 Y HA 0.326 4.876 4.550 -0.000 0.000 0.249 892 Y C 0.590 176.483 175.900 -0.012 0.000 1.168 892 Y CA -0.109 57.974 58.100 -0.029 0.000 1.226 892 Y CB 0.701 39.133 38.460 -0.046 0.000 1.177 892 Y HN -0.166 nan 8.280 nan 0.000 0.527 893 L N 1.035 122.302 121.223 0.074 0.000 2.333 893 L HA 0.633 4.972 4.340 -0.000 0.000 0.263 893 L C -0.371 176.512 176.870 0.022 0.000 1.014 893 L CA -1.192 53.682 54.840 0.056 0.000 0.820 893 L CB 2.482 44.563 42.059 0.036 0.000 1.352 893 L HN -0.017 nan 8.230 nan 0.000 0.421 894 R N 1.333 121.851 120.500 0.030 0.000 2.803 894 R HA 0.743 5.083 4.340 -0.000 0.000 0.276 894 R C -1.435 174.876 176.300 0.018 0.000 0.978 894 R CA -0.799 55.310 56.100 0.015 0.000 0.939 894 R CB 1.864 32.175 30.300 0.018 0.000 1.179 894 R HN 0.469 nan 8.270 nan 0.000 0.472 895 I N 1.995 122.570 120.570 0.008 0.000 2.330 895 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 895 I C -0.162 175.961 176.117 0.011 0.000 1.001 895 I CA -0.611 60.695 61.300 0.010 0.000 1.193 895 I CB 1.646 39.647 38.000 0.002 0.000 1.345 895 I HN 0.548 nan 8.210 nan 0.000 0.461 896 K N 5.617 126.028 120.400 0.018 0.000 2.240 896 K HA 0.404 4.724 4.320 -0.000 0.000 0.271 896 K C -0.715 175.894 176.600 0.015 0.000 1.018 896 K CA -0.342 55.953 56.287 0.014 0.000 0.874 896 K CB 1.046 33.556 32.500 0.017 0.000 1.098 896 K HN 0.493 nan 8.250 nan 0.000 0.458 897 T N 3.398 117.957 114.554 0.008 0.000 2.771 897 T HA 0.247 4.596 4.350 -0.000 0.000 0.291 897 T C -0.606 174.094 174.700 0.001 0.000 0.954 897 T CA -0.531 61.577 62.100 0.014 0.000 1.045 897 T CB 1.021 69.895 68.868 0.010 0.000 0.917 897 T HN 0.310 nan 8.240 nan 0.000 0.484 898 V N 4.160 124.085 119.914 0.018 0.000 2.409 898 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 898 V C 0.163 176.266 176.094 0.015 0.000 1.020 898 V CA -0.745 61.533 62.300 -0.036 0.000 0.848 898 V CB 1.800 33.596 31.823 -0.045 0.000 0.990 898 V HN 0.925 nan 8.190 nan 0.000 0.430 899 T N 5.761 120.278 114.554 -0.062 0.000 2.809 899 T HA 0.655 5.005 4.350 -0.000 0.000 0.284 899 T C -0.672 174.021 174.700 -0.011 0.000 0.992 899 T CA -0.137 61.996 62.100 0.055 0.000 0.957 899 T CB 0.529 69.422 68.868 0.042 0.000 0.942 899 T HN 0.271 nan 8.240 nan 0.000 0.439 900 F N 1.741 121.739 119.950 0.081 0.000 2.399 900 F HA 0.582 5.109 4.527 -0.000 0.000 0.328 900 F C 0.815 176.703 175.800 0.147 0.000 1.084 900 F CA -1.257 56.814 58.000 0.118 0.000 1.053 900 F CB 1.180 40.274 39.000 0.156 0.000 1.209 900 F HN 0.433 nan 8.300 nan 0.000 0.502 901 E N 1.758 122.151 120.200 0.322 0.000 2.210 901 E HA 0.494 4.844 4.350 -0.000 0.000 0.266 901 E C -1.618 175.151 176.600 0.282 0.000 0.883 901 E CA -0.573 55.948 56.400 0.202 0.000 0.761 901 E CB 1.558 31.306 29.700 0.080 0.000 1.156 901 E HN 0.556 nan 8.360 nan 0.000 0.412 902 Y N 0.000 120.346 120.300 0.077 0.000 2.660 902 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 902 Y CA 0.000 58.133 58.100 0.054 0.000 1.940 902 Y CB 0.000 38.486 38.460 0.044 0.000 1.050 902 Y HN 0.000 nan 8.280 nan 0.000 0.758