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 2wt2_1_A DATA FIRST_RESID 386 DATA SEQUENCE GGQQGRIPFV LPLPDGVPTG ASIVLEGTLT PSAVFFTLDL VTGPASLALH DATA SEQUENCE FNVRLPLEGE KHIVCNSREG SSNWGEEVRP QEFPFEREKP FVLVIVIQSD DATA SEQUENCE TYQITVNGKP LVDFPQRLQG ITRASLSGDL VFTRLTMYPP GDPRPTTLLP DATA SEQUENCE PPAAPLDVIP DAYVLNLPTG LTPRTLLTVT GTPTPLAEFF IVNLVYDLHY DATA SEQUENCE DSKNVALHFN VGFTSDSKGH IACNARMNGT WGSEITVSDF PFQRGKPFTL DATA SEQUENCE QILTREADFQ VLVDKQPLTQ FQYRLKELDQ IKYVHMFGHV VQTHLEHQVP 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 386 G HA2 0.000 nan 3.960 nan 0.000 0.244 386 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 386 G C 0.000 174.886 174.900 -0.024 0.000 0.946 386 G CA 0.000 45.090 45.100 -0.016 0.000 0.502 387 G N 0.357 109.142 108.800 -0.025 0.000 2.443 387 G HA2 0.027 3.987 3.960 -0.000 0.000 0.219 387 G HA3 0.027 3.987 3.960 -0.000 0.000 0.219 387 G C 1.614 176.495 174.900 -0.033 0.000 1.131 387 G CA 1.731 46.812 45.100 -0.033 0.000 0.775 387 G HN 0.374 nan 8.290 nan 0.000 0.547 388 Q N 0.360 120.144 119.800 -0.026 0.000 2.135 388 Q HA -0.089 4.251 4.340 -0.000 0.000 0.204 388 Q C 2.412 178.396 176.000 -0.026 0.000 0.981 388 Q CA 1.000 56.788 55.803 -0.024 0.000 0.856 388 Q CB -0.347 28.380 28.738 -0.018 0.000 0.902 388 Q HN 0.468 nan 8.270 nan 0.000 0.425 389 Q N -1.117 118.667 119.800 -0.026 0.000 2.444 389 Q HA 0.108 4.448 4.340 -0.000 0.000 0.206 389 Q C 1.071 177.052 176.000 -0.032 0.000 0.948 389 Q CA 0.903 56.691 55.803 -0.026 0.000 0.946 389 Q CB 0.719 29.443 28.738 -0.023 0.000 1.027 389 Q HN 0.581 nan 8.270 nan 0.000 0.513 390 G N 1.175 109.952 108.800 -0.039 0.000 2.278 390 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.210 390 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.210 390 G C 0.178 175.046 174.900 -0.054 0.000 1.000 390 G CA -0.480 44.591 45.100 -0.048 0.000 0.635 390 G HN 0.272 nan 8.290 nan 0.000 0.495 391 R N 0.569 121.040 120.500 -0.048 0.000 2.220 391 R HA 0.566 4.905 4.340 -0.000 0.000 0.340 391 R C -0.334 175.929 176.300 -0.062 0.000 1.076 391 R CA -0.079 55.988 56.100 -0.055 0.000 0.920 391 R CB 0.471 30.745 30.300 -0.044 0.000 1.062 391 R HN 0.317 nan 8.270 nan 0.000 0.469 392 I N 5.854 126.376 120.570 -0.081 0.000 2.460 392 I HA 0.194 4.364 4.170 -0.000 0.000 0.277 392 I C -1.444 174.586 176.117 -0.145 0.000 1.057 392 I CA -2.043 59.204 61.300 -0.087 0.000 1.179 392 I CB 1.753 39.708 38.000 -0.075 0.000 1.329 392 I HN 0.366 nan 8.210 nan 0.000 0.478 393 P HA -0.018 nan 4.420 nan 0.000 0.217 393 P C 0.877 177.763 177.300 -0.691 0.000 1.154 393 P CA 1.587 64.432 63.100 -0.425 0.000 0.841 393 P CB 0.341 31.838 31.700 -0.339 0.000 0.788 394 F N -1.978 117.909 119.950 -0.104 0.000 2.671 394 F HA 0.188 4.715 4.527 -0.001 0.000 0.303 394 F C 0.723 176.394 175.800 -0.214 0.000 0.935 394 F CA 0.048 57.952 58.000 -0.160 0.000 1.136 394 F CB 0.427 39.258 39.000 -0.281 0.000 0.929 394 F HN -0.428 nan 8.300 nan 0.000 0.659 395 V N 2.506 122.386 119.914 -0.057 0.000 2.444 395 V HA 0.441 4.561 4.120 -0.000 0.000 0.294 395 V C -1.261 174.818 176.094 -0.026 0.000 1.022 395 V CA -0.662 61.602 62.300 -0.061 0.000 0.850 395 V CB 2.087 33.840 31.823 -0.116 0.000 0.992 395 V HN -0.019 nan 8.190 nan 0.000 0.426 396 L N 8.991 130.213 121.223 -0.002 0.000 2.337 396 L HA 0.652 4.992 4.340 -0.000 0.000 0.269 396 L C -2.524 174.350 176.870 0.008 0.000 1.018 396 L CA -1.811 53.026 54.840 -0.006 0.000 0.876 396 L CB 1.526 43.582 42.059 -0.006 0.000 1.236 396 L HN 0.375 nan 8.230 nan 0.000 0.436 397 P HA 0.195 nan 4.420 nan 0.000 0.271 397 P C -0.823 176.482 177.300 0.010 0.000 1.216 397 P CA 0.197 63.305 63.100 0.013 0.000 0.776 397 P CB 0.595 32.301 31.700 0.010 0.000 0.881 398 L N 4.912 126.145 121.223 0.018 0.000 2.594 398 L HA 0.288 4.628 4.340 -0.000 0.000 0.245 398 L C -1.529 175.353 176.870 0.021 0.000 1.460 398 L CA -1.172 53.679 54.840 0.017 0.000 0.865 398 L CB 1.464 43.537 42.059 0.024 0.000 1.131 398 L HN 0.269 nan 8.230 nan 0.000 0.506 399 P HA -0.067 nan 4.420 nan 0.000 0.230 399 P C 0.175 177.485 177.300 0.017 0.000 1.158 399 P CA 0.917 64.027 63.100 0.017 0.000 0.769 399 P CB 0.452 32.159 31.700 0.013 0.000 0.807 400 D N -0.498 119.912 120.400 0.017 0.000 2.395 400 D HA 0.266 4.906 4.640 -0.000 0.000 0.213 400 D C 1.260 177.574 176.300 0.024 0.000 1.110 400 D CA 0.511 54.522 54.000 0.018 0.000 0.835 400 D CB 0.592 41.400 40.800 0.013 0.000 0.965 400 D HN 0.142 nan 8.370 nan 0.000 0.505 401 G N 0.117 108.935 108.800 0.029 0.000 2.757 401 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.638 401 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.638 401 G C -0.573 174.353 174.900 0.044 0.000 1.344 401 G CA -0.596 44.528 45.100 0.040 0.000 0.855 401 G HN 0.110 nan 8.290 nan 0.000 0.537 402 V N 2.816 122.766 119.914 0.060 0.000 2.326 402 V HA 0.536 4.656 4.120 -0.000 0.000 0.281 402 V C -1.201 174.937 176.094 0.074 0.000 1.015 402 V CA -0.723 61.619 62.300 0.069 0.000 0.823 402 V CB 1.203 33.079 31.823 0.089 0.000 1.009 402 V HN 0.850 nan 8.190 nan 0.000 0.436 403 P HA 0.187 nan 4.420 nan 0.000 0.274 403 P C 0.069 177.405 177.300 0.060 0.000 1.237 403 P CA -0.172 62.959 63.100 0.053 0.000 0.793 403 P CB 0.544 32.269 31.700 0.041 0.000 0.977 404 T N 1.029 115.612 114.554 0.049 0.000 2.853 404 T HA 0.368 4.718 4.350 -0.000 0.000 0.298 404 T C 1.291 176.017 174.700 0.044 0.000 0.978 404 T CA 1.536 63.663 62.100 0.045 0.000 1.152 404 T CB -0.341 68.542 68.868 0.026 0.000 0.914 404 T HN 0.810 nan 8.240 nan 0.000 0.539 405 G N 2.345 111.177 108.800 0.053 0.000 2.195 405 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.224 405 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.224 405 G C 0.310 175.249 174.900 0.065 0.000 0.990 405 G CA -0.121 45.009 45.100 0.050 0.000 0.639 405 G HN 1.104 nan 8.290 nan 0.000 0.514 406 A N 0.044 122.910 122.820 0.077 0.000 2.366 406 A HA 0.746 5.066 4.320 -0.000 0.000 0.249 406 A C 0.574 178.222 177.584 0.108 0.000 1.084 406 A CA 0.974 53.067 52.037 0.093 0.000 0.794 406 A CB 0.648 19.698 19.000 0.083 0.000 1.034 406 A HN 1.056 nan 8.150 nan 0.000 0.491 407 S N 0.479 116.260 115.700 0.135 0.000 2.473 407 S HA 0.541 5.011 4.470 -0.000 0.000 0.307 407 S C -0.452 174.241 174.600 0.155 0.000 1.094 407 S CA -0.266 58.016 58.200 0.136 0.000 1.070 407 S CB 0.895 64.171 63.200 0.127 0.000 1.019 407 S HN 0.515 nan 8.310 nan 0.000 0.480 408 I N 2.937 123.572 120.570 0.109 0.000 2.353 408 I HA 0.425 4.595 4.170 -0.000 0.000 0.293 408 I C -0.823 175.350 176.117 0.094 0.000 0.992 408 I CA -0.641 60.712 61.300 0.089 0.000 1.268 408 I CB 1.442 39.471 38.000 0.047 0.000 1.387 408 I HN 0.233 nan 8.210 nan 0.000 0.478 409 V N 7.252 127.237 119.914 0.117 0.000 2.409 409 V HA 0.285 4.405 4.120 -0.000 0.000 0.290 409 V C -0.472 175.662 176.094 0.068 0.000 1.017 409 V CA -0.615 61.752 62.300 0.111 0.000 0.841 409 V CB 1.859 33.798 31.823 0.193 0.000 1.003 409 V HN 0.406 nan 8.190 nan 0.000 0.426 410 L N 5.415 126.674 121.223 0.061 0.000 2.275 410 L HA 0.617 4.957 4.340 -0.000 0.000 0.288 410 L C 0.013 176.852 176.870 -0.051 0.000 1.046 410 L CA 0.402 55.255 54.840 0.023 0.000 0.805 410 L CB 1.115 43.234 42.059 0.100 0.000 1.193 410 L HN 0.690 nan 8.230 nan 0.000 0.426 411 E N 3.399 123.497 120.200 -0.170 0.000 2.202 411 E HA 0.844 5.194 4.350 -0.000 0.000 0.272 411 E C -0.452 175.846 176.600 -0.502 0.000 0.951 411 E CA -0.780 55.421 56.400 -0.332 0.000 0.813 411 E CB 1.861 31.448 29.700 -0.188 0.000 1.151 411 E HN 0.866 nan 8.360 nan 0.000 0.398 412 G N 0.618 108.912 108.800 -0.844 0.000 2.489 412 G HA2 0.391 4.351 3.960 -0.000 0.000 0.291 412 G HA3 0.391 4.351 3.960 -0.000 0.000 0.291 412 G C -1.285 173.208 174.900 -0.678 0.000 1.487 412 G CA -0.642 44.026 45.100 -0.720 0.000 0.795 412 G HN 0.312 nan 8.290 nan 0.000 0.513 413 T N 1.374 115.785 114.554 -0.239 0.000 2.840 413 T HA 0.513 4.863 4.350 -0.000 0.000 0.287 413 T C 0.318 175.035 174.700 0.028 0.000 0.991 413 T CA -0.381 61.707 62.100 -0.021 0.000 0.964 413 T CB 1.227 70.158 68.868 0.105 0.000 0.954 413 T HN 0.474 nan 8.240 nan 0.000 0.438 414 L N 3.653 124.967 121.223 0.151 0.000 2.456 414 L HA 0.252 4.592 4.340 -0.000 0.000 0.272 414 L C 1.528 178.454 176.870 0.095 0.000 1.189 414 L CA -0.368 54.547 54.840 0.124 0.000 0.846 414 L CB 0.430 42.593 42.059 0.173 0.000 1.111 414 L HN 0.756 nan 8.230 nan 0.000 0.475 415 T N 0.028 114.640 114.554 0.097 0.000 2.766 415 T HA 0.150 4.500 4.350 -0.000 0.000 0.295 415 T C -1.879 172.873 174.700 0.086 0.000 1.024 415 T CA -1.537 60.615 62.100 0.086 0.000 1.018 415 T CB 0.521 69.480 68.868 0.152 0.000 1.002 415 T HN 0.390 nan 8.240 nan 0.000 0.532 416 P HA 0.061 nan 4.420 nan 0.000 0.228 416 P C 0.850 178.188 177.300 0.064 0.000 1.151 416 P CA 0.676 63.818 63.100 0.069 0.000 0.770 416 P CB 0.194 31.932 31.700 0.063 0.000 0.786 417 S N -1.866 113.873 115.700 0.065 0.000 2.952 417 S HA 0.475 4.944 4.470 -0.000 0.000 0.251 417 S C 0.364 174.966 174.600 0.003 0.000 1.021 417 S CA -0.527 57.693 58.200 0.034 0.000 1.067 417 S CB -0.609 62.621 63.200 0.050 0.000 1.002 417 S HN 0.047 nan 8.310 nan 0.000 0.574 418 A N 0.914 123.759 122.820 0.041 0.000 2.540 418 A HA 0.355 4.675 4.320 -0.000 0.000 0.239 418 A C 1.221 178.800 177.584 -0.008 0.000 1.061 418 A CA 0.349 52.407 52.037 0.034 0.000 0.758 418 A CB 0.138 19.177 19.000 0.065 0.000 0.991 418 A HN 1.060 nan 8.150 nan 0.000 0.502 419 V N 0.111 120.018 119.914 -0.011 0.000 3.604 419 V HA 0.578 4.698 4.120 -0.000 0.000 0.277 419 V C 0.155 176.319 176.094 0.116 0.000 1.399 419 V CA 0.694 62.996 62.300 0.003 0.000 1.034 419 V CB -1.508 30.276 31.823 -0.064 0.000 0.824 419 V HN 1.274 nan 8.190 nan 0.000 0.439 420 F N 0.149 120.054 119.950 -0.075 0.000 2.770 420 F HA 0.775 5.302 4.527 -0.001 0.000 0.313 420 F C -1.702 174.081 175.800 -0.029 0.000 1.154 420 F CA -1.871 56.025 58.000 -0.173 0.000 0.923 420 F CB 1.450 40.283 39.000 -0.278 0.000 1.301 420 F HN 0.119 nan 8.300 nan 0.000 0.449 421 F N -0.236 119.377 119.950 -0.562 0.000 2.668 421 F HA 0.883 5.409 4.527 -0.000 0.000 0.309 421 F C -1.821 173.856 175.800 -0.205 0.000 1.117 421 F CA -0.841 56.754 58.000 -0.676 0.000 0.951 421 F CB 1.982 40.730 39.000 -0.420 0.000 1.323 421 F HN 0.650 nan 8.300 nan 0.000 0.451 422 T N 3.707 118.307 114.554 0.076 0.000 2.921 422 T HA 0.574 4.923 4.350 -0.000 0.000 0.297 422 T C -1.920 172.966 174.700 0.311 0.000 1.013 422 T CA -0.417 61.732 62.100 0.082 0.000 0.990 422 T CB 1.659 70.708 68.868 0.301 0.000 1.023 422 T HN 0.800 nan 8.240 nan 0.000 0.447 423 L N 3.477 124.863 121.223 0.271 0.000 2.298 423 L HA 0.576 4.916 4.340 -0.000 0.000 0.284 423 L C -1.148 175.854 176.870 0.221 0.000 1.013 423 L CA -0.296 54.722 54.840 0.296 0.000 0.824 423 L CB 1.003 43.242 42.059 0.300 0.000 1.221 423 L HN 0.487 nan 8.230 nan 0.000 0.418 424 D N 5.962 126.507 120.400 0.242 0.000 2.303 424 D HA 0.356 4.996 4.640 -0.000 0.000 0.236 424 D C -0.571 175.805 176.300 0.127 0.000 1.068 424 D CA 0.016 54.145 54.000 0.214 0.000 0.830 424 D CB 2.111 43.072 40.800 0.268 0.000 1.109 424 D HN 0.477 nan 8.370 nan 0.000 0.496 425 L N 2.865 124.122 121.223 0.056 0.000 2.287 425 L HA 0.294 4.634 4.340 -0.000 0.000 0.280 425 L C 0.009 176.891 176.870 0.020 0.000 1.055 425 L CA -0.763 54.080 54.840 0.004 0.000 0.863 425 L CB 1.047 43.041 42.059 -0.108 0.000 1.245 425 L HN -0.028 nan 8.230 nan 0.000 0.432 426 V N 1.913 121.855 119.914 0.046 0.000 2.785 426 V HA 0.383 4.503 4.120 -0.000 0.000 0.300 426 V C 0.453 176.570 176.094 0.038 0.000 1.062 426 V CA -0.234 62.092 62.300 0.043 0.000 1.029 426 V CB 1.654 33.512 31.823 0.057 0.000 1.024 426 V HN 0.719 nan 8.190 nan 0.000 0.477 427 T N 2.393 116.965 114.554 0.030 0.000 3.011 427 T HA 0.622 4.971 4.350 -0.000 0.000 0.303 427 T C -0.010 174.702 174.700 0.020 0.000 0.997 427 T CA 0.792 62.913 62.100 0.035 0.000 1.007 427 T CB 0.449 69.348 68.868 0.051 0.000 1.017 427 T HN 1.783 nan 8.240 nan 0.000 0.443 428 G N 6.511 115.324 108.800 0.021 0.000 2.598 428 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.244 428 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.244 428 G C -1.883 173.021 174.900 0.007 0.000 1.302 428 G CA -0.034 45.074 45.100 0.012 0.000 0.903 428 G HN 0.684 nan 8.290 nan 0.000 0.575 429 P HA 0.219 nan 4.420 nan 0.000 0.212 429 P C 1.662 178.954 177.300 -0.013 0.000 1.180 429 P CA 3.266 66.363 63.100 -0.005 0.000 0.906 429 P CB -0.053 31.639 31.700 -0.014 0.000 0.782 430 A N -2.099 120.700 122.820 -0.035 0.000 2.508 430 A HA 0.308 4.628 4.320 -0.000 0.000 0.250 430 A C 0.737 178.269 177.584 -0.087 0.000 1.208 430 A CA 0.007 52.009 52.037 -0.058 0.000 0.960 430 A CB -0.200 18.753 19.000 -0.079 0.000 1.099 430 A HN 0.114 nan 8.150 nan 0.000 0.542 431 S N 0.519 116.177 115.700 -0.070 0.000 2.584 431 S HA 0.596 5.066 4.470 -0.000 0.000 0.273 431 S C -0.315 174.246 174.600 -0.065 0.000 1.311 431 S CA -0.172 57.974 58.200 -0.090 0.000 1.034 431 S CB 0.892 64.059 63.200 -0.055 0.000 0.939 431 S HN 0.353 nan 8.310 nan 0.000 0.513 432 L N 2.370 123.536 121.223 -0.096 0.000 2.280 432 L HA 0.432 4.771 4.340 -0.000 0.000 0.287 432 L C 1.135 178.021 176.870 0.027 0.000 1.023 432 L CA -0.708 54.114 54.840 -0.031 0.000 0.819 432 L CB 1.174 43.204 42.059 -0.048 0.000 1.212 432 L HN 0.856 nan 8.230 nan 0.000 0.420 433 A N 4.209 127.061 122.820 0.053 0.000 1.929 433 A HA 0.062 4.382 4.320 -0.000 0.000 0.216 433 A C 0.466 178.117 177.584 0.110 0.000 1.176 433 A CA 1.149 53.259 52.037 0.121 0.000 0.628 433 A CB 0.140 19.211 19.000 0.119 0.000 0.816 433 A HN 0.498 nan 8.150 nan 0.000 0.444 434 L N -1.228 119.972 121.223 -0.039 0.000 2.516 434 L HA 0.487 4.827 4.340 -0.000 0.000 0.267 434 L C -1.252 175.622 176.870 0.005 0.000 0.957 434 L CA -0.593 54.164 54.840 -0.137 0.000 0.860 434 L CB 1.833 43.653 42.059 -0.400 0.000 1.265 434 L HN 0.325 nan 8.230 nan 0.000 0.403 435 H N 4.785 123.824 119.070 -0.051 0.000 2.623 435 H HA 0.417 4.973 4.556 -0.001 0.000 0.299 435 H C -1.769 173.544 175.328 -0.025 0.000 1.052 435 H CA -0.370 55.717 56.048 0.065 0.000 1.231 435 H CB 0.708 30.642 29.762 0.287 0.000 1.389 435 H HN 0.520 nan 8.280 nan 0.000 0.469 436 F N 5.888 125.600 119.950 -0.396 0.000 2.334 436 F HA 0.322 4.848 4.527 -0.001 0.000 0.367 436 F C -0.765 174.657 175.800 -0.630 0.000 1.115 436 F CA -0.515 57.219 58.000 -0.443 0.000 1.116 436 F CB 0.297 39.138 39.000 -0.265 0.000 1.230 436 F HN 0.612 nan 8.300 nan 0.000 0.484 437 N N 5.957 123.937 118.700 -1.200 0.000 2.479 437 N HA 0.403 5.143 4.740 -0.000 0.000 0.261 437 N C -1.780 173.097 175.510 -1.055 0.000 0.979 437 N CA -0.487 51.944 53.050 -1.032 0.000 0.930 437 N CB 1.513 39.505 38.487 -0.825 0.000 1.172 437 N HN 0.357 nan 8.380 nan 0.000 0.499 438 V N 4.231 123.447 119.914 -1.163 0.000 2.350 438 V HA 0.392 4.512 4.120 -0.000 0.000 0.276 438 V C 0.126 175.920 176.094 -0.500 0.000 1.028 438 V CA -0.471 61.276 62.300 -0.922 0.000 0.860 438 V CB 0.777 31.797 31.823 -1.338 0.000 0.990 438 V HN 0.589 nan 8.190 nan 0.000 0.453 439 R N 4.575 124.931 120.500 -0.240 0.000 2.310 439 R HA 0.581 4.921 4.340 -0.000 0.000 0.324 439 R C -0.791 175.496 176.300 -0.023 0.000 0.955 439 R CA -0.677 55.319 56.100 -0.174 0.000 0.830 439 R CB 1.566 31.758 30.300 -0.180 0.000 1.154 439 R HN 0.519 nan 8.270 nan 0.000 0.458 440 L N 5.194 126.385 121.223 -0.053 0.000 2.725 440 L HA 0.356 4.696 4.340 -0.000 0.000 0.270 440 L C -2.457 174.330 176.870 -0.138 0.000 1.422 440 L CA -2.216 52.579 54.840 -0.075 0.000 0.770 440 L CB 0.708 42.810 42.059 0.071 0.000 1.081 440 L HN 0.423 nan 8.230 nan 0.000 0.527 441 P HA 0.046 nan 4.420 nan 0.000 0.271 441 P C 1.058 178.247 177.300 -0.185 0.000 1.233 441 P CA -0.058 62.850 63.100 -0.320 0.000 0.789 441 P CB 1.217 32.539 31.700 -0.630 0.000 0.951 442 L N -0.660 120.476 121.223 -0.145 0.000 2.095 442 L HA -0.002 4.338 4.340 -0.000 0.000 0.204 442 L C 0.975 177.827 176.870 -0.029 0.000 1.080 442 L CA 1.499 56.292 54.840 -0.079 0.000 0.759 442 L CB -0.430 41.576 42.059 -0.088 0.000 0.914 442 L HN 0.385 nan 8.230 nan 0.000 0.439 443 E N -0.663 119.546 120.200 0.016 0.000 2.179 443 E HA 0.582 4.932 4.350 -0.000 0.000 0.275 443 E C 0.011 176.650 176.600 0.066 0.000 0.945 443 E CA 0.315 56.746 56.400 0.052 0.000 0.792 443 E CB 1.659 31.415 29.700 0.093 0.000 1.125 443 E HN 0.233 nan 8.360 nan 0.000 0.397 444 G N 1.908 110.728 108.800 0.034 0.000 2.525 444 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.685 444 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.685 444 G C -0.941 173.934 174.900 -0.042 0.000 1.290 444 G CA -1.022 44.104 45.100 0.042 0.000 0.915 444 G HN 0.467 nan 8.290 nan 0.000 0.548 445 E N 0.726 120.905 120.200 -0.036 0.000 2.331 445 E HA 0.332 4.682 4.350 -0.000 0.000 0.272 445 E C 0.691 177.079 176.600 -0.354 0.000 1.036 445 E CA -0.342 55.935 56.400 -0.205 0.000 0.864 445 E CB 0.785 30.366 29.700 -0.197 0.000 1.035 445 E HN 0.609 nan 8.360 nan 0.000 0.408 446 K N 2.558 122.638 120.400 -0.535 0.000 2.185 446 K HA 0.346 4.666 4.320 -0.000 0.000 0.271 446 K C -0.796 175.404 176.600 -0.666 0.000 1.013 446 K CA -0.206 55.707 56.287 -0.624 0.000 0.943 446 K CB 0.799 32.647 32.500 -1.087 0.000 0.998 446 K HN 0.495 nan 8.250 nan 0.000 0.468 447 H N 0.414 119.478 119.070 -0.010 0.000 3.046 447 H HA 0.420 4.976 4.556 -0.000 0.000 0.363 447 H C -1.066 174.335 175.328 0.121 0.000 1.203 447 H CA -0.705 55.401 56.048 0.096 0.000 1.169 447 H CB 1.761 31.509 29.762 -0.024 0.000 1.851 447 H HN 0.454 nan 8.280 nan 0.000 0.546 448 I N 2.578 123.244 120.570 0.160 0.000 2.404 448 I HA 0.389 4.559 4.170 -0.000 0.000 0.293 448 I C -0.698 175.306 176.117 -0.189 0.000 0.992 448 I CA -0.922 60.273 61.300 -0.175 0.000 1.149 448 I CB 1.630 39.494 38.000 -0.227 0.000 1.315 448 I HN 0.178 nan 8.210 nan 0.000 0.446 449 V N 5.598 125.298 119.914 -0.356 0.000 2.443 449 V HA 0.302 4.422 4.120 -0.000 0.000 0.293 449 V C -0.414 175.482 176.094 -0.330 0.000 1.021 449 V CA -0.544 61.602 62.300 -0.257 0.000 0.848 449 V CB 1.563 33.254 31.823 -0.220 0.000 0.998 449 V HN 0.809 nan 8.190 nan 0.000 0.424 450 C N 4.921 124.118 119.300 -0.172 0.000 2.341 450 C HA 0.788 5.248 4.460 -0.000 0.000 0.338 450 C C 0.360 175.336 174.990 -0.023 0.000 1.257 450 C CA -0.304 58.596 59.018 -0.196 0.000 1.883 450 C CB 0.752 28.396 27.740 -0.159 0.000 2.334 450 C HN 0.935 nan 8.230 nan 0.000 0.524 451 N N 0.191 118.884 118.700 -0.011 0.000 3.046 451 N HA 0.500 5.240 4.740 -0.000 0.000 0.243 451 N C -1.043 174.696 175.510 0.381 0.000 1.452 451 N CA -0.200 53.051 53.050 0.334 0.000 0.882 451 N CB 2.141 40.885 38.487 0.427 0.000 1.425 451 N HN 0.751 nan 8.380 nan 0.000 0.517 452 S N 0.068 116.079 115.700 0.518 0.000 2.664 452 S HA 0.758 5.228 4.470 -0.000 0.000 0.304 452 S C -0.613 174.072 174.600 0.141 0.000 1.099 452 S CA -0.751 57.647 58.200 0.331 0.000 1.003 452 S CB 2.358 65.776 63.200 0.363 0.000 1.092 452 S HN 0.602 nan 8.310 nan 0.000 0.525 453 R N 0.517 120.935 120.500 -0.136 0.000 2.510 453 R HA 0.272 4.612 4.340 -0.000 0.000 0.287 453 R C -1.452 174.686 176.300 -0.270 0.000 1.084 453 R CA -0.190 55.647 56.100 -0.437 0.000 0.934 453 R CB 1.500 31.098 30.300 -1.170 0.000 1.201 453 R HN 0.852 nan 8.270 nan 0.000 0.431 454 E N 2.364 122.451 120.200 -0.188 0.000 2.194 454 E HA 0.331 4.681 4.350 -0.000 0.000 0.284 454 E C 0.452 176.956 176.600 -0.160 0.000 1.035 454 E CA 0.494 56.820 56.400 -0.124 0.000 0.836 454 E CB 1.387 31.050 29.700 -0.062 0.000 1.070 454 E HN 0.906 nan 8.360 nan 0.000 0.401 455 G N 2.623 111.341 108.800 -0.138 0.000 2.539 455 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.256 455 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.256 455 G C 0.788 175.571 174.900 -0.195 0.000 1.233 455 G CA 0.027 45.046 45.100 -0.135 0.000 0.936 455 G HN 0.487 nan 8.290 nan 0.000 0.571 456 S N -0.313 115.281 115.700 -0.176 0.000 2.458 456 S HA 0.240 4.709 4.470 -0.000 0.000 0.223 456 S C 2.154 176.601 174.600 -0.254 0.000 1.019 456 S CA 1.673 59.756 58.200 -0.195 0.000 0.937 456 S CB 0.052 63.169 63.200 -0.138 0.000 0.788 456 S HN 0.876 nan 8.310 nan 0.000 0.511 457 S N 0.464 116.019 115.700 -0.242 0.000 2.631 457 S HA 0.197 4.666 4.470 -0.000 0.000 0.246 457 S C 0.312 174.776 174.600 -0.226 0.000 1.068 457 S CA -0.476 57.606 58.200 -0.196 0.000 0.995 457 S CB 0.004 63.154 63.200 -0.083 0.000 0.944 457 S HN 0.366 nan 8.310 nan 0.000 0.529 458 N N 1.667 120.225 118.700 -0.238 0.000 2.508 458 N HA 0.209 4.949 4.740 -0.000 0.000 0.253 458 N C -1.193 174.205 175.510 -0.186 0.000 1.145 458 N CA -0.247 52.723 53.050 -0.132 0.000 0.973 458 N CB 0.145 38.582 38.487 -0.083 0.000 1.305 458 N HN 0.249 nan 8.380 nan 0.000 0.506 459 W N 1.992 123.284 121.300 -0.013 0.000 2.218 459 W HA 0.395 5.055 4.660 -0.000 0.000 0.326 459 W C 1.278 177.814 176.519 0.029 0.000 1.276 459 W CA -0.532 56.814 57.345 0.001 0.000 1.210 459 W CB 0.817 30.270 29.460 -0.012 0.000 1.143 459 W HN 0.363 nan 8.180 nan 0.000 0.563 460 G N 1.031 110.038 108.800 0.345 0.000 2.531 460 G HA2 0.263 4.223 3.960 -0.000 0.000 0.281 460 G HA3 0.263 4.223 3.960 -0.000 0.000 0.281 460 G C -1.021 174.018 174.900 0.232 0.000 1.382 460 G CA -0.761 44.482 45.100 0.238 0.000 1.045 460 G HN 0.429 nan 8.290 nan 0.000 0.533 461 E N -0.322 119.980 120.200 0.170 0.000 2.415 461 E HA 0.133 4.483 4.350 -0.000 0.000 0.263 461 E C 0.032 176.739 176.600 0.178 0.000 0.995 461 E CA 0.183 56.663 56.400 0.134 0.000 0.915 461 E CB 0.458 30.209 29.700 0.085 0.000 0.951 461 E HN 0.353 nan 8.360 nan 0.000 0.449 462 E N 2.698 122.976 120.200 0.129 0.000 2.259 462 E HA 0.248 4.598 4.350 -0.000 0.000 0.281 462 E C -1.206 175.476 176.600 0.136 0.000 1.027 462 E CA -0.635 55.841 56.400 0.126 0.000 0.838 462 E CB 1.042 30.759 29.700 0.028 0.000 1.066 462 E HN 0.261 nan 8.360 nan 0.000 0.401 463 V N 5.267 125.303 119.914 0.204 0.000 2.459 463 V HA 0.417 4.537 4.120 -0.000 0.000 0.295 463 V C -0.222 175.944 176.094 0.120 0.000 1.029 463 V CA -0.623 61.793 62.300 0.192 0.000 0.874 463 V CB 1.547 33.573 31.823 0.338 0.000 0.985 463 V HN 0.650 nan 8.190 nan 0.000 0.438 464 R N 4.206 124.759 120.500 0.088 0.000 2.472 464 R HA 0.427 4.766 4.340 -0.000 0.000 0.294 464 R C -2.744 173.606 176.300 0.083 0.000 1.243 464 R CA -1.580 54.558 56.100 0.063 0.000 1.023 464 R CB 1.506 31.836 30.300 0.050 0.000 1.157 464 R HN 0.501 nan 8.270 nan 0.000 0.530 465 P HA -0.082 nan 4.420 nan 0.000 0.264 465 P C 0.196 177.553 177.300 0.096 0.000 1.193 465 P CA 0.015 63.168 63.100 0.089 0.000 0.763 465 P CB 0.836 32.588 31.700 0.088 0.000 0.810 466 Q N 2.072 121.922 119.800 0.084 0.000 2.297 466 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 466 Q C 0.430 176.482 176.000 0.087 0.000 0.962 466 Q CA 0.812 56.663 55.803 0.081 0.000 0.879 466 Q CB 0.271 29.044 28.738 0.059 0.000 0.947 466 Q HN 0.552 nan 8.270 nan 0.000 0.462 467 E N -0.210 120.039 120.200 0.082 0.000 2.301 467 E HA 0.141 4.491 4.350 -0.000 0.000 0.275 467 E C -1.568 175.104 176.600 0.120 0.000 1.030 467 E CA -0.425 56.022 56.400 0.079 0.000 0.852 467 E CB 0.698 30.418 29.700 0.033 0.000 1.060 467 E HN 0.201 nan 8.360 nan 0.000 0.401 468 F N 6.671 126.613 119.950 -0.014 0.000 2.686 468 F HA 0.344 4.871 4.527 0.000 0.000 0.365 468 F C -1.897 173.879 175.800 -0.039 0.000 1.196 468 F CA -1.808 56.197 58.000 0.008 0.000 1.198 468 F CB 1.428 40.430 39.000 0.003 0.000 1.454 468 F HN 0.401 nan 8.300 nan 0.000 0.539 469 P HA 0.117 nan 4.420 nan 0.000 0.255 469 P C -0.737 176.269 177.300 -0.490 0.000 1.427 469 P CA 0.368 63.268 63.100 -0.332 0.000 0.863 469 P CB -0.310 31.121 31.700 -0.449 0.000 1.444 470 F N 0.394 120.268 119.950 -0.126 0.000 2.507 470 F HA 0.614 5.141 4.527 -0.001 0.000 0.327 470 F C 0.696 176.632 175.800 0.226 0.000 1.068 470 F CA -0.924 57.047 58.000 -0.047 0.000 0.965 470 F CB 1.930 40.771 39.000 -0.265 0.000 1.192 470 F HN -0.193 nan 8.300 nan 0.000 0.476 471 E N 1.021 121.458 120.200 0.394 0.000 2.352 471 E HA 0.358 4.708 4.350 -0.000 0.000 0.280 471 E C -1.223 175.525 176.600 0.247 0.000 0.930 471 E CA -0.918 55.656 56.400 0.290 0.000 0.765 471 E CB 1.452 31.270 29.700 0.197 0.000 1.219 471 E HN 0.550 nan 8.360 nan 0.000 0.434 472 R N 2.639 123.252 120.500 0.189 0.000 2.640 472 R HA 0.021 4.360 4.340 -0.000 0.000 0.270 472 R C 0.008 176.392 176.300 0.139 0.000 1.024 472 R CA 1.125 57.316 56.100 0.152 0.000 1.085 472 R CB 0.164 30.527 30.300 0.106 0.000 0.963 472 R HN 0.802 nan 8.270 nan 0.000 0.426 473 E N -0.872 119.409 120.200 0.135 0.000 4.071 473 E HA -0.190 4.160 4.350 -0.000 0.000 0.355 473 E C -0.611 176.071 176.600 0.136 0.000 0.653 473 E CA 1.193 57.665 56.400 0.121 0.000 1.298 473 E CB -0.528 29.231 29.700 0.098 0.000 1.712 473 E HN 0.423 nan 8.360 nan 0.000 0.416 474 K N 1.367 121.866 120.400 0.165 0.000 2.185 474 K HA 0.388 4.708 4.320 -0.000 0.000 0.269 474 K C -2.386 174.341 176.600 0.211 0.000 0.987 474 K CA -2.241 54.146 56.287 0.166 0.000 0.865 474 K CB 0.976 33.573 32.500 0.162 0.000 1.090 474 K HN -0.058 nan 8.250 nan 0.000 0.450 475 P HA 0.300 nan 4.420 nan 0.000 0.274 475 P C -0.693 176.701 177.300 0.157 0.000 1.237 475 P CA -0.330 62.814 63.100 0.073 0.000 0.793 475 P CB 0.363 32.068 31.700 0.007 0.000 0.977 476 F N -1.288 118.698 119.950 0.061 0.000 2.664 476 F HA 0.748 5.275 4.527 -0.001 0.000 0.317 476 F C -1.759 174.062 175.800 0.034 0.000 1.108 476 F CA -1.487 56.548 58.000 0.058 0.000 0.957 476 F CB 0.879 39.976 39.000 0.162 0.000 1.365 476 F HN 0.000 nan 8.300 nan 0.000 0.475 477 V N 2.745 122.827 119.914 0.279 0.000 2.443 477 V HA 0.476 4.596 4.120 -0.000 0.000 0.293 477 V C -1.251 175.017 176.094 0.290 0.000 1.021 477 V CA -0.536 61.860 62.300 0.160 0.000 0.848 477 V CB 1.497 33.346 31.823 0.044 0.000 0.998 477 V HN 0.816 nan 8.190 nan 0.000 0.424 478 L N 7.276 128.703 121.223 0.340 0.000 2.272 478 L HA 0.731 5.071 4.340 -0.000 0.000 0.289 478 L C -0.584 176.328 176.870 0.071 0.000 1.032 478 L CA 0.118 55.080 54.840 0.204 0.000 0.810 478 L CB 1.623 43.841 42.059 0.264 0.000 1.205 478 L HN 0.432 nan 8.230 nan 0.000 0.422 479 V N 6.851 126.772 119.914 0.012 0.000 2.409 479 V HA 0.473 4.593 4.120 -0.000 0.000 0.291 479 V C -0.010 176.074 176.094 -0.016 0.000 1.020 479 V CA -0.437 61.865 62.300 0.005 0.000 0.848 479 V CB 1.455 33.274 31.823 -0.006 0.000 0.990 479 V HN 0.594 nan 8.190 nan 0.000 0.430 480 I N 5.092 125.661 120.570 -0.001 0.000 2.355 480 I HA 0.433 4.603 4.170 -0.000 0.000 0.288 480 I C -0.465 175.698 176.117 0.077 0.000 0.999 480 I CA -0.763 60.549 61.300 0.019 0.000 1.163 480 I CB 1.867 39.854 38.000 -0.021 0.000 1.316 480 I HN 0.267 nan 8.210 nan 0.000 0.454 481 V N 7.028 127.003 119.914 0.102 0.000 2.370 481 V HA 0.278 4.398 4.120 -0.000 0.000 0.279 481 V C 0.413 176.607 176.094 0.167 0.000 1.029 481 V CA -0.564 61.802 62.300 0.109 0.000 0.870 481 V CB 1.581 33.446 31.823 0.071 0.000 0.984 481 V HN 0.433 nan 8.190 nan 0.000 0.451 482 I N 5.669 126.346 120.570 0.179 0.000 2.227 482 I HA 0.220 4.390 4.170 -0.000 0.000 0.297 482 I C 0.685 176.862 176.117 0.100 0.000 1.173 482 I CA -0.030 61.410 61.300 0.233 0.000 1.356 482 I CB -0.257 37.892 38.000 0.248 0.000 1.485 482 I HN 0.630 nan 8.210 nan 0.000 0.604 483 Q N 2.736 122.558 119.800 0.036 0.000 2.318 483 Q HA 0.207 4.547 4.340 -0.000 0.000 0.222 483 Q C 1.471 177.432 176.000 -0.065 0.000 1.003 483 Q CA -0.082 55.714 55.803 -0.012 0.000 0.936 483 Q CB 0.796 29.524 28.738 -0.018 0.000 1.204 483 Q HN 0.631 nan 8.270 nan 0.000 0.524 484 S N -0.680 114.992 115.700 -0.048 0.000 2.383 484 S HA -0.178 4.291 4.470 -0.000 0.000 0.227 484 S C 1.128 175.671 174.600 -0.095 0.000 1.026 484 S CA 1.756 59.923 58.200 -0.056 0.000 0.981 484 S CB -0.037 63.145 63.200 -0.030 0.000 0.818 484 S HN 0.685 nan 8.310 nan 0.000 0.472 485 D N 0.367 120.709 120.400 -0.097 0.000 2.366 485 D HA 0.231 4.871 4.640 -0.000 0.000 0.205 485 D C 0.448 176.652 176.300 -0.161 0.000 1.022 485 D CA 0.650 54.587 54.000 -0.105 0.000 0.868 485 D CB 0.739 41.499 40.800 -0.066 0.000 0.953 485 D HN 0.416 nan 8.370 nan 0.000 0.514 486 T N -1.780 112.646 114.554 -0.213 0.000 2.749 486 T HA 0.305 4.655 4.350 -0.000 0.000 0.310 486 T C -2.081 172.451 174.700 -0.280 0.000 1.496 486 T CA -0.683 61.282 62.100 -0.224 0.000 1.006 486 T CB 0.306 69.132 68.868 -0.070 0.000 1.457 486 T HN -0.178 nan 8.240 nan 0.000 0.497 487 Y N 2.134 122.524 120.300 0.151 0.000 2.342 487 Y HA 0.499 5.050 4.550 0.002 0.000 0.338 487 Y C 0.543 176.521 175.900 0.131 0.000 0.965 487 Y CA -0.719 57.473 58.100 0.153 0.000 1.159 487 Y CB 1.427 40.014 38.460 0.211 0.000 1.157 487 Y HN 0.490 nan 8.280 nan 0.000 0.486 488 Q N 4.822 124.748 119.800 0.210 0.000 2.421 488 Q HA 0.432 4.772 4.340 -0.000 0.000 0.242 488 Q C -1.109 174.951 176.000 0.099 0.000 1.024 488 Q CA -0.220 55.661 55.803 0.130 0.000 0.891 488 Q CB 0.331 29.117 28.738 0.080 0.000 1.222 488 Q HN 0.709 nan 8.270 nan 0.000 0.483 489 I N 3.362 123.987 120.570 0.092 0.000 2.342 489 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 489 I C -0.078 176.043 176.117 0.006 0.000 1.010 489 I CA -0.292 61.020 61.300 0.019 0.000 1.308 489 I CB 1.691 39.690 38.000 -0.001 0.000 1.400 489 I HN 0.477 nan 8.210 nan 0.000 0.488 490 T N 5.596 120.135 114.554 -0.024 0.000 2.876 490 T HA 0.556 4.906 4.350 -0.000 0.000 0.289 490 T C -0.533 174.139 174.700 -0.047 0.000 1.014 490 T CA -0.441 61.643 62.100 -0.026 0.000 0.986 490 T CB 2.304 71.162 68.868 -0.016 0.000 1.021 490 T HN 0.195 nan 8.240 nan 0.000 0.458 491 V N 4.056 123.925 119.914 -0.074 0.000 2.588 491 V HA 0.392 4.511 4.120 -0.000 0.000 0.304 491 V C -0.230 175.813 176.094 -0.085 0.000 1.042 491 V CA -1.167 61.070 62.300 -0.105 0.000 0.877 491 V CB 1.611 33.250 31.823 -0.308 0.000 0.996 491 V HN 0.997 nan 8.190 nan 0.000 0.425 492 N N 3.637 122.323 118.700 -0.022 0.000 2.699 492 N HA -0.210 4.530 4.740 -0.000 0.000 0.256 492 N C 1.167 176.661 175.510 -0.028 0.000 0.993 492 N CA 1.549 54.591 53.050 -0.013 0.000 0.759 492 N CB -1.065 37.410 38.487 -0.020 0.000 0.906 492 N HN 1.616 nan 8.380 nan 0.000 0.541 493 G N -1.259 107.525 108.800 -0.026 0.000 2.155 493 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.257 493 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.257 493 G C -0.005 174.878 174.900 -0.028 0.000 0.983 493 G CA 0.884 45.967 45.100 -0.027 0.000 0.676 493 G HN 0.702 nan 8.290 nan 0.000 0.528 494 K N 0.654 121.033 120.400 -0.036 0.000 2.463 494 K HA 0.521 4.841 4.320 -0.000 0.000 0.255 494 K C -2.744 173.838 176.600 -0.031 0.000 0.942 494 K CA -2.403 53.864 56.287 -0.033 0.000 0.814 494 K CB 2.119 34.594 32.500 -0.042 0.000 1.122 494 K HN -0.085 nan 8.250 nan 0.000 0.425 495 P HA -0.100 nan 4.420 nan 0.000 0.262 495 P C -0.232 177.068 177.300 0.001 0.000 1.182 495 P CA -0.043 63.057 63.100 -0.001 0.000 0.761 495 P CB 0.607 32.313 31.700 0.009 0.000 0.795 496 L N 5.639 126.869 121.223 0.012 0.000 2.356 496 L HA 0.396 4.735 4.340 -0.000 0.000 0.193 496 L C 0.182 177.093 176.870 0.069 0.000 1.087 496 L CA 1.221 56.077 54.840 0.027 0.000 0.817 496 L CB 0.316 42.395 42.059 0.034 0.000 1.035 496 L HN 0.247 nan 8.230 nan 0.000 0.482 497 V N -0.223 119.749 119.914 0.098 0.000 3.023 497 V HA 0.404 4.524 4.120 -0.000 0.000 0.294 497 V C -2.023 174.165 176.094 0.157 0.000 1.324 497 V CA -0.845 61.535 62.300 0.133 0.000 0.979 497 V CB 2.064 33.996 31.823 0.181 0.000 1.093 497 V HN 0.232 nan 8.190 nan 0.000 0.434 498 D N 4.976 125.465 120.400 0.149 0.000 2.373 498 D HA 0.370 5.010 4.640 -0.000 0.000 0.227 498 D C -0.820 175.607 176.300 0.213 0.000 1.091 498 D CA 0.314 54.409 54.000 0.159 0.000 0.840 498 D CB 1.414 42.266 40.800 0.087 0.000 1.060 498 D HN 0.413 nan 8.370 nan 0.000 0.502 499 F N 4.514 124.549 119.950 0.143 0.000 2.408 499 F HA 0.398 4.925 4.527 0.001 0.000 0.344 499 F C -2.188 173.700 175.800 0.146 0.000 1.112 499 F CA -2.396 55.707 58.000 0.172 0.000 1.096 499 F CB 1.323 40.474 39.000 0.251 0.000 1.129 499 F HN 0.096 nan 8.300 nan 0.000 0.486 500 P HA -0.040 nan 4.420 nan 0.000 0.271 500 P C -1.379 175.750 177.300 -0.286 0.000 1.216 500 P CA -0.171 62.695 63.100 -0.390 0.000 0.771 500 P CB 0.801 32.270 31.700 -0.385 0.000 0.864 501 Q N 3.057 122.728 119.800 -0.215 0.000 2.381 501 Q HA 0.054 4.394 4.340 -0.000 0.000 0.243 501 Q C 0.744 176.740 176.000 -0.007 0.000 1.154 501 Q CA -0.026 55.684 55.803 -0.156 0.000 0.899 501 Q CB 0.115 28.629 28.738 -0.374 0.000 1.396 501 Q HN 0.306 nan 8.270 nan 0.000 0.485 502 R N 2.636 123.208 120.500 0.121 0.000 2.189 502 R HA 0.232 4.572 4.340 -0.000 0.000 0.203 502 R C 0.033 176.400 176.300 0.111 0.000 1.012 502 R CA 0.511 56.666 56.100 0.092 0.000 1.015 502 R CB 0.523 30.895 30.300 0.119 0.000 0.938 502 R HN 0.454 nan 8.270 nan 0.000 0.472 503 L N 0.507 121.835 121.223 0.176 0.000 2.401 503 L HA 0.401 4.741 4.340 -0.000 0.000 0.266 503 L C -0.682 176.288 176.870 0.166 0.000 0.991 503 L CA -0.841 54.084 54.840 0.141 0.000 0.818 503 L CB 2.308 44.445 42.059 0.131 0.000 1.321 503 L HN -0.003 nan 8.230 nan 0.000 0.413 504 Q N 0.682 120.549 119.800 0.111 0.000 2.204 504 Q HA 0.586 4.926 4.340 -0.000 0.000 0.254 504 Q C 0.264 176.324 176.000 0.100 0.000 0.981 504 Q CA 0.096 55.964 55.803 0.108 0.000 0.897 504 Q CB 1.875 30.652 28.738 0.065 0.000 1.273 504 Q HN 0.824 nan 8.270 nan 0.000 0.464 505 G N 2.668 111.528 108.800 0.101 0.000 2.470 505 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.286 505 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.286 505 G C -0.374 174.572 174.900 0.077 0.000 1.115 505 G CA -0.066 45.081 45.100 0.077 0.000 1.122 505 G HN 0.560 nan 8.290 nan 0.000 0.522 506 I N 0.859 121.484 120.570 0.092 0.000 2.618 506 I HA 0.222 4.391 4.170 -0.000 0.000 0.284 506 I C 1.844 177.994 176.117 0.055 0.000 1.146 506 I CA 0.879 62.222 61.300 0.072 0.000 1.425 506 I CB 1.014 39.057 38.000 0.071 0.000 1.383 506 I HN 0.473 nan 8.210 nan 0.000 0.562 507 T N 2.830 117.411 114.554 0.045 0.000 2.971 507 T HA 0.249 4.599 4.350 -0.000 0.000 0.252 507 T C 0.425 175.148 174.700 0.038 0.000 1.022 507 T CA -0.382 61.741 62.100 0.039 0.000 0.980 507 T CB 0.270 69.159 68.868 0.035 0.000 1.044 507 T HN 0.753 nan 8.240 nan 0.000 0.501 508 R N -0.309 120.217 120.500 0.042 0.000 2.728 508 R HA 0.737 5.076 4.340 -0.000 0.000 0.274 508 R C -2.186 174.146 176.300 0.053 0.000 1.032 508 R CA -1.035 55.092 56.100 0.044 0.000 0.866 508 R CB 0.699 31.028 30.300 0.049 0.000 1.263 508 R HN 0.086 nan 8.270 nan 0.000 0.475 509 A N 0.871 123.724 122.820 0.054 0.000 2.318 509 A HA 0.676 4.996 4.320 -0.000 0.000 0.317 509 A C -0.935 176.710 177.584 0.102 0.000 1.159 509 A CA -0.595 51.486 52.037 0.072 0.000 0.799 509 A CB 1.784 20.816 19.000 0.053 0.000 1.194 509 A HN 0.588 nan 8.150 nan 0.000 0.479 510 S N 2.007 117.805 115.700 0.163 0.000 2.605 510 S HA 0.591 5.060 4.470 -0.000 0.000 0.308 510 S C -1.110 173.690 174.600 0.334 0.000 1.113 510 S CA -0.465 57.878 58.200 0.238 0.000 1.049 510 S CB 0.592 63.976 63.200 0.307 0.000 1.001 510 S HN 0.953 nan 8.310 nan 0.000 0.480 511 L N 4.392 125.842 121.223 0.379 0.000 2.334 511 L HA 0.863 5.203 4.340 -0.000 0.000 0.275 511 L C -0.287 176.957 176.870 0.624 0.000 1.036 511 L CA 0.325 55.442 54.840 0.461 0.000 0.807 511 L CB 1.892 44.179 42.059 0.381 0.000 1.231 511 L HN 0.636 nan 8.230 nan 0.000 0.438 512 S N 2.233 118.241 115.700 0.513 0.000 2.541 512 S HA 0.937 5.407 4.470 -0.000 0.000 0.271 512 S C -0.459 174.200 174.600 0.098 0.000 1.133 512 S CA 0.228 58.678 58.200 0.417 0.000 0.876 512 S CB 1.222 64.815 63.200 0.656 0.000 1.105 512 S HN 1.521 nan 8.310 nan 0.000 0.470 513 G N 2.545 111.247 108.800 -0.163 0.000 2.306 513 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.262 513 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.262 513 G C -1.669 172.838 174.900 -0.655 0.000 1.263 513 G CA -0.391 44.193 45.100 -0.860 0.000 1.088 513 G HN 0.600 nan 8.290 nan 0.000 0.489 514 D N 1.488 121.548 120.400 -0.567 0.000 3.134 514 D HA 0.402 5.042 4.640 -0.000 0.000 0.248 514 D C 0.266 176.547 176.300 -0.031 0.000 1.273 514 D CA 0.436 54.246 54.000 -0.315 0.000 0.904 514 D CB -0.032 40.737 40.800 -0.053 0.000 1.089 514 D HN 0.349 nan 8.370 nan 0.000 0.478 515 L N 0.408 121.625 121.223 -0.009 0.000 2.346 515 L HA 0.535 4.875 4.340 -0.000 0.000 0.276 515 L C 0.280 177.235 176.870 0.141 0.000 1.006 515 L CA -1.118 53.734 54.840 0.022 0.000 0.817 515 L CB 2.078 44.059 42.059 -0.130 0.000 1.272 515 L HN -0.138 nan 8.230 nan 0.000 0.421 516 V N -1.269 118.589 119.914 -0.094 0.000 3.158 516 V HA 0.569 4.689 4.120 -0.000 0.000 0.315 516 V C 0.250 176.118 176.094 -0.377 0.000 1.148 516 V CA -0.951 61.142 62.300 -0.346 0.000 1.042 516 V CB 1.469 32.831 31.823 -0.768 0.000 1.101 516 V HN 0.786 nan 8.190 nan 0.000 0.448 517 F N -0.331 119.566 119.950 -0.088 0.000 3.079 517 F HA -0.206 4.321 4.527 -0.000 0.000 0.274 517 F C 1.003 176.683 175.800 -0.200 0.000 0.940 517 F CA 0.496 58.418 58.000 -0.130 0.000 0.932 517 F CB -2.115 36.817 39.000 -0.113 0.000 0.891 517 F HN 0.901 nan 8.300 nan 0.000 0.722 518 T N -0.974 113.492 114.554 -0.147 0.000 2.868 518 T HA 0.625 4.975 4.350 -0.000 0.000 0.292 518 T C -0.091 174.477 174.700 -0.221 0.000 1.028 518 T CA -0.694 61.250 62.100 -0.261 0.000 1.059 518 T CB 2.507 71.111 68.868 -0.441 0.000 0.991 518 T HN 0.446 nan 8.240 nan 0.000 0.531 519 R N 1.370 121.750 120.500 -0.199 0.000 2.542 519 R HA 0.432 4.772 4.340 -0.000 0.000 0.284 519 R C -1.603 174.631 176.300 -0.110 0.000 1.167 519 R CA -0.550 55.465 56.100 -0.141 0.000 1.000 519 R CB 1.074 31.314 30.300 -0.100 0.000 1.229 519 R HN 0.709 nan 8.270 nan 0.000 0.416 520 L N 3.078 124.243 121.223 -0.097 0.000 2.307 520 L HA 0.628 4.967 4.340 -0.000 0.000 0.282 520 L C -0.364 176.474 176.870 -0.054 0.000 1.051 520 L CA -0.342 54.465 54.840 -0.055 0.000 0.804 520 L CB 2.234 44.266 42.059 -0.046 0.000 1.197 520 L HN 0.654 nan 8.230 nan 0.000 0.431 521 T N 3.357 117.892 114.554 -0.032 0.000 2.923 521 T HA 0.433 4.783 4.350 -0.000 0.000 0.311 521 T C -0.880 173.776 174.700 -0.073 0.000 1.183 521 T CA -0.548 61.493 62.100 -0.099 0.000 1.020 521 T CB 2.134 70.938 68.868 -0.105 0.000 1.165 521 T HN 0.456 nan 8.240 nan 0.000 0.482 522 M N 3.006 122.503 119.600 -0.172 0.000 2.311 522 M HA 0.539 5.019 4.480 -0.000 0.000 0.325 522 M C -1.902 174.264 176.300 -0.224 0.000 1.061 522 M CA -0.748 54.501 55.300 -0.085 0.000 0.957 522 M CB 1.237 33.813 32.600 -0.040 0.000 1.646 522 M HN 0.710 nan 8.290 nan 0.000 0.434 523 Y N 5.585 125.889 120.300 0.007 0.000 2.352 523 Y HA 0.493 5.042 4.550 -0.001 0.000 0.339 523 Y C -1.980 173.927 175.900 0.012 0.000 0.992 523 Y CA -1.670 56.434 58.100 0.006 0.000 1.100 523 Y CB 0.983 39.446 38.460 0.004 0.000 1.192 523 Y HN 0.496 nan 8.280 nan 0.000 0.458 524 P HA 0.081 nan 4.420 nan 0.000 0.274 524 P C -2.296 175.059 177.300 0.091 0.000 1.260 524 P CA -1.430 61.720 63.100 0.083 0.000 0.793 524 P CB 0.724 32.456 31.700 0.053 0.000 1.048 525 P HA -0.083 nan 4.420 nan 0.000 0.219 525 P C 1.297 178.624 177.300 0.046 0.000 1.146 525 P CA 1.829 64.961 63.100 0.053 0.000 0.808 525 P CB -0.483 31.241 31.700 0.041 0.000 0.779 526 G N -1.395 107.433 108.800 0.047 0.000 3.383 526 G HA2 -0.010 3.949 3.960 -0.000 0.000 0.251 526 G HA3 -0.010 3.949 3.960 -0.000 0.000 0.251 526 G C -0.192 174.735 174.900 0.046 0.000 1.203 526 G CA 0.016 45.140 45.100 0.039 0.000 0.852 526 G HN 0.160 nan 8.290 nan 0.000 0.531 527 D N 0.121 120.558 120.400 0.061 0.000 2.375 527 D HA 0.318 4.958 4.640 -0.000 0.000 0.247 527 D C -1.495 174.811 176.300 0.009 0.000 1.061 527 D CA -1.440 52.600 54.000 0.067 0.000 0.834 527 D CB 3.141 44.044 40.800 0.172 0.000 1.247 527 D HN -0.015 nan 8.370 nan 0.000 0.489 528 P HA 0.050 nan 4.420 nan 0.000 0.245 528 P C 1.188 178.425 177.300 -0.105 0.000 1.199 528 P CA -0.009 63.062 63.100 -0.049 0.000 0.807 528 P CB 0.907 32.590 31.700 -0.029 0.000 1.002 529 R N 2.137 122.543 120.500 -0.156 0.000 2.115 529 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 529 R C -0.702 175.422 176.300 -0.293 0.000 1.133 529 R CA 2.329 58.288 56.100 -0.234 0.000 0.935 529 R CB -2.262 27.856 30.300 -0.303 0.000 0.853 529 R HN 0.123 nan 8.270 nan 0.000 0.433 530 P HA -0.182 nan 4.420 nan 0.000 0.218 530 P C 0.199 177.403 177.300 -0.159 0.000 1.165 530 P CA 1.792 64.701 63.100 -0.318 0.000 0.922 530 P CB -0.423 31.128 31.700 -0.248 0.000 0.794 531 T N 0.201 114.686 114.554 -0.114 0.000 2.761 531 T HA 0.127 4.477 4.350 -0.000 0.000 0.287 531 T C -0.154 174.509 174.700 -0.063 0.000 0.931 531 T CA 0.735 62.794 62.100 -0.068 0.000 1.164 531 T CB -1.388 67.451 68.868 -0.047 0.000 0.876 531 T HN 0.262 nan 8.240 nan 0.000 0.534 532 T N 3.414 117.937 114.554 -0.051 0.000 3.967 532 T HA -0.170 4.180 4.350 -0.000 0.000 0.366 532 T C -0.373 174.295 174.700 -0.054 0.000 0.759 532 T CA 0.157 62.230 62.100 -0.044 0.000 1.971 532 T CB -1.931 66.915 68.868 -0.036 0.000 1.806 532 T HN 0.593 nan 8.240 nan 0.000 0.825 533 L N 1.695 122.879 121.223 -0.064 0.000 2.276 533 L HA 0.704 5.044 4.340 -0.000 0.000 0.286 533 L C -0.186 176.662 176.870 -0.037 0.000 1.061 533 L CA -0.432 54.369 54.840 -0.064 0.000 0.807 533 L CB 0.599 42.602 42.059 -0.094 0.000 1.177 533 L HN 0.415 nan 8.230 nan 0.000 0.429 534 L N 6.418 127.623 121.223 -0.030 0.000 2.322 534 L HA 0.686 5.026 4.340 -0.000 0.000 0.269 534 L C -2.045 174.816 176.870 -0.016 0.000 1.012 534 L CA -1.873 52.958 54.840 -0.016 0.000 0.815 534 L CB 1.895 43.945 42.059 -0.015 0.000 1.295 534 L HN 0.547 nan 8.230 nan 0.000 0.438 535 P HA 0.322 nan 4.420 nan 0.000 0.279 535 P C -2.659 174.633 177.300 -0.013 0.000 1.252 535 P CA -1.422 61.670 63.100 -0.012 0.000 0.811 535 P CB 0.034 31.742 31.700 0.013 0.000 1.035 536 P HA 0.210 nan 4.420 nan 0.000 0.271 536 P C -2.332 174.964 177.300 -0.006 0.000 1.233 536 P CA -1.211 61.875 63.100 -0.023 0.000 0.789 536 P CB -1.243 30.432 31.700 -0.042 0.000 0.951 537 P HA 0.202 nan 4.420 nan 0.000 0.271 537 P C -0.865 176.443 177.300 0.013 0.000 1.216 537 P CA -0.035 63.069 63.100 0.006 0.000 0.771 537 P CB 0.433 32.133 31.700 0.001 0.000 0.864 538 A N 2.617 125.454 122.820 0.029 0.000 2.292 538 A HA 0.679 4.999 4.320 -0.000 0.000 0.319 538 A C 0.018 177.623 177.584 0.035 0.000 1.206 538 A CA -0.563 51.498 52.037 0.040 0.000 0.835 538 A CB 0.799 19.837 19.000 0.063 0.000 1.164 538 A HN 0.634 nan 8.150 nan 0.000 0.505 539 A N 3.294 126.134 122.820 0.032 0.000 2.281 539 A HA 0.793 5.113 4.320 -0.000 0.000 0.329 539 A C -1.310 176.294 177.584 0.034 0.000 1.122 539 A CA -1.728 50.325 52.037 0.027 0.000 0.850 539 A CB 0.156 19.168 19.000 0.019 0.000 1.207 539 A HN 0.561 nan 8.150 nan 0.000 0.495 540 P HA -0.157 nan 4.420 nan 0.000 0.218 540 P C 0.492 177.813 177.300 0.035 0.000 1.154 540 P CA 1.533 64.651 63.100 0.032 0.000 0.872 540 P CB 0.091 31.806 31.700 0.025 0.000 0.790 541 L N -1.556 119.686 121.223 0.032 0.000 3.202 541 L HA 0.253 4.593 4.340 -0.000 0.000 0.278 541 L C -0.251 176.641 176.870 0.036 0.000 1.268 541 L CA -0.519 54.341 54.840 0.033 0.000 1.034 541 L CB 0.147 42.223 42.059 0.027 0.000 1.407 541 L HN -0.225 nan 8.230 nan 0.000 0.581 542 D N 0.911 121.335 120.400 0.041 0.000 2.389 542 D HA 0.162 4.802 4.640 -0.000 0.000 0.247 542 D C 0.023 176.360 176.300 0.062 0.000 1.128 542 D CA 0.207 54.234 54.000 0.045 0.000 0.884 542 D CB 2.054 42.881 40.800 0.045 0.000 1.194 542 D HN -0.208 nan 8.370 nan 0.000 0.441 543 V N 3.791 123.743 119.914 0.064 0.000 2.385 543 V HA 0.319 4.439 4.120 -0.000 0.000 0.269 543 V C 0.521 176.683 176.094 0.114 0.000 1.043 543 V CA -0.520 61.825 62.300 0.075 0.000 0.906 543 V CB 0.454 32.312 31.823 0.060 0.000 0.995 543 V HN 0.342 nan 8.190 nan 0.000 0.467 544 I N 6.993 127.628 120.570 0.110 0.000 2.474 544 I HA 0.453 4.623 4.170 -0.000 0.000 0.294 544 I C -2.194 173.949 176.117 0.044 0.000 1.005 544 I CA -2.087 59.285 61.300 0.120 0.000 1.113 544 I CB 2.426 40.488 38.000 0.103 0.000 1.289 544 I HN 0.442 nan 8.210 nan 0.000 0.436 545 P HA 0.048 nan 4.420 nan 0.000 0.268 545 P C -0.999 176.267 177.300 -0.055 0.000 1.205 545 P CA -0.199 62.878 63.100 -0.037 0.000 0.771 545 P CB 0.410 32.052 31.700 -0.097 0.000 0.858 546 D N 2.120 122.506 120.400 -0.024 0.000 2.608 546 D HA 0.156 4.796 4.640 -0.000 0.000 0.224 546 D C 1.160 177.413 176.300 -0.079 0.000 1.123 546 D CA 0.079 54.071 54.000 -0.014 0.000 1.030 546 D CB 0.047 40.858 40.800 0.019 0.000 1.093 546 D HN 0.298 nan 8.370 nan 0.000 0.497 547 A N 0.317 123.010 122.820 -0.213 0.000 2.067 547 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 547 A C 0.833 178.122 177.584 -0.492 0.000 1.156 547 A CA 0.821 52.566 52.037 -0.487 0.000 0.683 547 A CB -0.026 18.438 19.000 -0.894 0.000 0.808 547 A HN 0.380 nan 8.150 nan 0.000 0.455 548 Y N -2.245 118.133 120.300 0.130 0.000 2.448 548 Y HA 0.356 4.906 4.550 -0.000 0.000 0.257 548 Y C -0.029 176.063 175.900 0.319 0.000 1.089 548 Y CA -0.673 57.575 58.100 0.245 0.000 1.245 548 Y CB 0.821 39.487 38.460 0.344 0.000 1.282 548 Y HN -0.045 nan 8.280 nan 0.000 0.529 549 V N 1.877 121.981 119.914 0.317 0.000 2.638 549 V HA 0.430 4.550 4.120 -0.000 0.000 0.306 549 V C -1.346 174.861 176.094 0.189 0.000 1.052 549 V CA -0.897 61.563 62.300 0.267 0.000 0.885 549 V CB 2.480 34.409 31.823 0.176 0.000 0.999 549 V HN -0.068 nan 8.190 nan 0.000 0.424 550 L N 4.359 125.701 121.223 0.199 0.000 2.319 550 L HA 0.624 4.963 4.340 -0.000 0.000 0.281 550 L C -0.269 176.681 176.870 0.133 0.000 1.005 550 L CA -0.182 54.733 54.840 0.126 0.000 0.828 550 L CB 1.405 43.508 42.059 0.073 0.000 1.227 550 L HN 0.703 nan 8.230 nan 0.000 0.415 551 N N 4.607 123.360 118.700 0.088 0.000 2.497 551 N HA 0.290 5.030 4.740 -0.000 0.000 0.271 551 N C -1.149 174.245 175.510 -0.193 0.000 1.142 551 N CA 0.172 53.156 53.050 -0.109 0.000 0.965 551 N CB 0.541 38.998 38.487 -0.050 0.000 1.077 551 N HN 0.666 nan 8.380 nan 0.000 0.462 552 L N 6.050 127.072 121.223 -0.334 0.000 2.387 552 L HA 0.363 4.703 4.340 -0.000 0.000 0.259 552 L C -1.569 175.138 176.870 -0.272 0.000 1.050 552 L CA -1.582 53.054 54.840 -0.340 0.000 0.922 552 L CB 1.677 43.528 42.059 -0.347 0.000 1.280 552 L HN 0.499 nan 8.230 nan 0.000 0.449 553 P HA -0.138 nan 4.420 nan 0.000 0.219 553 P C 1.102 178.332 177.300 -0.116 0.000 1.146 553 P CA 1.179 64.197 63.100 -0.136 0.000 0.808 553 P CB 0.138 31.801 31.700 -0.062 0.000 0.779 554 T N -5.183 109.312 114.554 -0.099 0.000 3.228 554 T HA 0.561 4.911 4.350 -0.000 0.000 0.278 554 T C 0.929 175.571 174.700 -0.096 0.000 1.014 554 T CA -0.056 61.996 62.100 -0.079 0.000 0.904 554 T CB -0.509 68.338 68.868 -0.034 0.000 1.110 554 T HN 0.277 nan 8.240 nan 0.000 0.541 555 G N 2.061 110.775 108.800 -0.142 0.000 2.598 555 G HA2 -0.106 3.853 3.960 -0.000 0.000 0.269 555 G HA3 -0.106 3.853 3.960 -0.000 0.000 0.269 555 G C -0.721 174.124 174.900 -0.093 0.000 1.289 555 G CA -0.274 44.745 45.100 -0.134 0.000 0.926 555 G HN 0.532 nan 8.290 nan 0.000 0.567 556 L N 1.304 122.500 121.223 -0.046 0.000 2.360 556 L HA 0.779 5.119 4.340 -0.000 0.000 0.271 556 L C 1.238 178.111 176.870 0.004 0.000 1.057 556 L CA 0.167 55.013 54.840 0.011 0.000 0.803 556 L CB 1.186 43.286 42.059 0.068 0.000 1.207 556 L HN 1.252 nan 8.230 nan 0.000 0.445 557 T N -0.792 113.785 114.554 0.038 0.000 2.916 557 T HA 0.713 5.063 4.350 -0.000 0.000 0.292 557 T C -2.820 171.913 174.700 0.055 0.000 1.055 557 T CA -2.314 59.804 62.100 0.030 0.000 1.009 557 T CB 1.819 70.707 68.868 0.034 0.000 1.118 557 T HN 0.214 nan 8.240 nan 0.000 0.497 558 P HA 0.215 nan 4.420 nan 0.000 0.266 558 P C 0.122 177.461 177.300 0.065 0.000 1.193 558 P CA 0.106 63.249 63.100 0.071 0.000 0.770 558 P CB 0.186 31.922 31.700 0.061 0.000 0.836 559 R N -1.581 118.961 120.500 0.071 0.000 3.963 559 R HA -0.109 4.231 4.340 -0.000 0.000 0.394 559 R C -0.360 175.987 176.300 0.078 0.000 1.131 559 R CA 0.746 56.885 56.100 0.064 0.000 1.059 559 R CB -3.481 26.846 30.300 0.045 0.000 1.614 559 R HN 0.452 nan 8.270 nan 0.000 0.546 560 T N 1.772 116.389 114.554 0.105 0.000 2.780 560 T HA 0.460 4.810 4.350 -0.000 0.000 0.294 560 T C 0.377 175.164 174.700 0.146 0.000 0.949 560 T CA -0.462 61.719 62.100 0.135 0.000 1.074 560 T CB 1.238 70.209 68.868 0.172 0.000 0.910 560 T HN 0.141 nan 8.240 nan 0.000 0.501 561 L N 5.502 126.802 121.223 0.128 0.000 2.287 561 L HA 0.539 4.879 4.340 -0.000 0.000 0.287 561 L C -0.967 175.985 176.870 0.137 0.000 1.022 561 L CA -0.436 54.476 54.840 0.120 0.000 0.814 561 L CB 0.521 42.631 42.059 0.084 0.000 1.217 561 L HN 0.570 nan 8.230 nan 0.000 0.420 562 L N 4.828 126.135 121.223 0.139 0.000 2.312 562 L HA 0.529 4.869 4.340 -0.000 0.000 0.281 562 L C -0.129 176.800 176.870 0.099 0.000 1.070 562 L CA -0.319 54.598 54.840 0.130 0.000 0.805 562 L CB 1.438 43.563 42.059 0.110 0.000 1.174 562 L HN 0.592 nan 8.230 nan 0.000 0.434 563 T N 2.696 117.309 114.554 0.099 0.000 2.833 563 T HA 0.450 4.800 4.350 -0.000 0.000 0.297 563 T C -0.409 174.348 174.700 0.096 0.000 1.015 563 T CA -0.381 61.776 62.100 0.095 0.000 0.963 563 T CB 1.591 70.517 68.868 0.096 0.000 0.955 563 T HN 0.162 nan 8.240 nan 0.000 0.449 564 V N 4.529 124.510 119.914 0.112 0.000 2.409 564 V HA 0.663 4.783 4.120 -0.000 0.000 0.291 564 V C 0.376 176.547 176.094 0.129 0.000 1.020 564 V CA -0.758 61.613 62.300 0.118 0.000 0.848 564 V CB 1.643 33.556 31.823 0.151 0.000 0.990 564 V HN 1.057 nan 8.190 nan 0.000 0.430 565 T N 1.420 115.971 114.554 -0.005 0.000 2.887 565 T HA 0.961 5.311 4.350 -0.000 0.000 0.288 565 T C -0.102 174.313 174.700 -0.475 0.000 1.021 565 T CA -0.317 61.642 62.100 -0.235 0.000 1.000 565 T CB 2.179 70.976 68.868 -0.117 0.000 1.034 565 T HN 1.212 nan 8.240 nan 0.000 0.467 566 G N 0.289 108.471 108.800 -1.031 0.000 2.451 566 G HA2 0.547 4.506 3.960 -0.000 0.000 0.292 566 G HA3 0.547 4.506 3.960 -0.000 0.000 0.292 566 G C -1.469 172.858 174.900 -0.955 0.000 1.427 566 G CA -0.825 43.757 45.100 -0.865 0.000 0.792 566 G HN 0.827 nan 8.290 nan 0.000 0.498 567 T N 2.528 116.842 114.554 -0.401 0.000 2.881 567 T HA 0.634 4.984 4.350 -0.000 0.000 0.291 567 T C -2.845 171.834 174.700 -0.036 0.000 0.990 567 T CA -0.806 61.205 62.100 -0.148 0.000 0.976 567 T CB 2.366 71.182 68.868 -0.087 0.000 0.970 567 T HN 0.367 nan 8.240 nan 0.000 0.438 568 P HA 0.216 nan 4.420 nan 0.000 0.275 568 P C 0.468 177.743 177.300 -0.043 0.000 1.227 568 P CA -0.369 62.723 63.100 -0.013 0.000 0.781 568 P CB 0.178 31.856 31.700 -0.037 0.000 0.906 569 T N 0.529 115.056 114.554 -0.044 0.000 2.748 569 T HA 0.156 4.506 4.350 -0.000 0.000 0.304 569 T C -1.742 172.922 174.700 -0.060 0.000 1.041 569 T CA -1.317 60.778 62.100 -0.009 0.000 1.033 569 T CB -0.556 68.349 68.868 0.061 0.000 0.995 569 T HN 0.193 nan 8.240 nan 0.000 0.536 570 P HA 0.104 nan 4.420 nan 0.000 0.222 570 P C 0.822 178.092 177.300 -0.050 0.000 1.147 570 P CA 0.865 63.945 63.100 -0.034 0.000 0.790 570 P CB -0.018 31.674 31.700 -0.014 0.000 0.780 571 L N -2.290 118.898 121.223 -0.058 0.000 2.959 571 L HA 0.351 4.691 4.340 -0.000 0.000 0.259 571 L C 0.611 177.444 176.870 -0.062 0.000 1.185 571 L CA -0.762 54.048 54.840 -0.049 0.000 0.998 571 L CB -0.217 41.822 42.059 -0.033 0.000 1.337 571 L HN -0.197 nan 8.230 nan 0.000 0.555 572 A N 0.725 123.462 122.820 -0.138 0.000 2.591 572 A HA -0.072 4.248 4.320 -0.000 0.000 0.244 572 A C 1.112 178.680 177.584 -0.026 0.000 1.031 572 A CA 0.623 52.580 52.037 -0.134 0.000 0.767 572 A CB 0.116 18.846 19.000 -0.451 0.000 0.942 572 A HN 0.523 nan 8.150 nan 0.000 0.514 573 E N 0.999 121.427 120.200 0.380 0.000 2.201 573 E HA 0.294 4.644 4.350 -0.000 0.000 0.193 573 E C -0.171 176.750 176.600 0.536 0.000 0.957 573 E CA 0.890 57.550 56.400 0.435 0.000 0.858 573 E CB 0.294 30.332 29.700 0.563 0.000 0.816 573 E HN 0.866 nan 8.360 nan 0.000 0.475 574 F N -0.457 119.594 119.950 0.168 0.000 2.807 574 F HA 0.508 5.035 4.527 -0.000 0.000 0.316 574 F C -1.750 174.065 175.800 0.026 0.000 1.162 574 F CA -1.776 56.271 58.000 0.079 0.000 0.910 574 F CB 0.839 39.775 39.000 -0.107 0.000 1.314 574 F HN -0.144 nan 8.300 nan 0.000 0.454 575 F N 0.231 120.119 119.950 -0.104 0.000 2.668 575 F HA 0.898 5.424 4.527 -0.000 0.000 0.309 575 F C -2.069 173.600 175.800 -0.219 0.000 1.117 575 F CA -1.558 56.280 58.000 -0.269 0.000 0.951 575 F CB 1.705 40.539 39.000 -0.275 0.000 1.323 575 F HN 0.572 nan 8.300 nan 0.000 0.451 576 I N 2.265 122.669 120.570 -0.276 0.000 2.647 576 I HA 0.624 4.794 4.170 -0.000 0.000 0.295 576 I C -1.340 174.560 176.117 -0.363 0.000 1.078 576 I CA -1.336 59.658 61.300 -0.509 0.000 1.048 576 I CB 2.368 39.901 38.000 -0.778 0.000 1.239 576 I HN 0.520 nan 8.210 nan 0.000 0.421 577 V N 4.656 124.489 119.914 -0.135 0.000 2.483 577 V HA 0.451 4.571 4.120 -0.000 0.000 0.297 577 V C -0.646 175.470 176.094 0.036 0.000 1.027 577 V CA -0.724 61.585 62.300 0.016 0.000 0.855 577 V CB 1.914 33.816 31.823 0.131 0.000 0.995 577 V HN 0.640 nan 8.190 nan 0.000 0.424 578 N N 3.852 122.632 118.700 0.132 0.000 2.342 578 N HA 0.620 5.360 4.740 -0.000 0.000 0.293 578 N C -1.207 174.412 175.510 0.181 0.000 1.026 578 N CA -0.554 52.620 53.050 0.207 0.000 0.857 578 N CB 2.386 41.084 38.487 0.352 0.000 1.256 578 N HN 0.369 nan 8.380 nan 0.000 0.484 579 L N 2.056 123.339 121.223 0.101 0.000 2.257 579 L HA 0.476 4.816 4.340 -0.000 0.000 0.290 579 L C 0.054 177.024 176.870 0.167 0.000 1.044 579 L CA -0.817 54.087 54.840 0.106 0.000 0.810 579 L CB 0.875 42.921 42.059 -0.020 0.000 1.193 579 L HN 0.333 nan 8.230 nan 0.000 0.425 580 V N -0.027 120.031 119.914 0.240 0.000 3.007 580 V HA 0.482 4.602 4.120 -0.000 0.000 0.311 580 V C 0.449 176.773 176.094 0.382 0.000 1.120 580 V CA -0.702 61.750 62.300 0.253 0.000 0.980 580 V CB 1.760 33.725 31.823 0.237 0.000 1.033 580 V HN 0.516 nan 8.190 nan 0.000 0.429 581 Y N 1.831 122.198 120.300 0.111 0.000 2.163 581 Y HA 0.123 4.673 4.550 -0.000 0.000 0.288 581 Y C 1.010 177.024 175.900 0.190 0.000 1.136 581 Y CA 1.135 59.297 58.100 0.102 0.000 1.147 581 Y CB -0.187 38.299 38.460 0.043 0.000 0.987 581 Y HN 1.015 nan 8.280 nan 0.000 0.509 582 D N -1.224 119.386 120.400 0.349 0.000 2.787 582 D HA 0.335 4.975 4.640 -0.000 0.000 0.246 582 D C -1.217 175.174 176.300 0.153 0.000 1.150 582 D CA -0.671 53.503 54.000 0.289 0.000 0.864 582 D CB 1.492 42.409 40.800 0.196 0.000 1.481 582 D HN -0.176 nan 8.370 nan 0.000 0.509 583 L N 3.016 124.153 121.223 -0.144 0.000 2.477 583 L HA 0.351 4.691 4.340 -0.000 0.000 0.272 583 L C -0.739 176.094 176.870 -0.061 0.000 1.157 583 L CA 1.018 55.664 54.840 -0.325 0.000 0.889 583 L CB -0.360 41.124 42.059 -0.958 0.000 1.158 583 L HN 0.605 nan 8.230 nan 0.000 0.473 584 H N 3.146 122.181 119.070 -0.058 0.000 3.081 584 H HA 0.008 4.564 4.556 -0.000 0.000 0.322 584 H C -0.470 174.902 175.328 0.073 0.000 1.266 584 H CA -0.566 55.488 56.048 0.010 0.000 1.279 584 H CB 0.779 30.544 29.762 0.005 0.000 1.954 584 H HN 0.606 nan 8.280 nan 0.000 0.530 585 Y N 2.871 123.172 120.300 0.002 0.000 2.181 585 Y HA -0.128 4.422 4.550 -0.000 0.000 0.288 585 Y C 0.859 176.808 175.900 0.083 0.000 1.146 585 Y CA 2.262 60.331 58.100 -0.052 0.000 1.164 585 Y CB 0.313 38.679 38.460 -0.157 0.000 0.982 585 Y HN 0.533 nan 8.280 nan 0.000 0.515 586 D N 0.201 120.814 120.400 0.355 0.000 2.863 586 D HA 0.145 4.785 4.640 -0.000 0.000 0.323 586 D C -0.926 175.282 176.300 -0.154 0.000 1.286 586 D CA -0.030 53.975 54.000 0.007 0.000 0.921 586 D CB 0.020 40.829 40.800 0.016 0.000 1.024 586 D HN 0.037 nan 8.370 nan 0.000 0.505 587 S N 0.869 116.522 115.700 -0.078 0.000 2.549 587 S HA 0.099 4.569 4.470 -0.000 0.000 0.279 587 S C 1.386 175.837 174.600 -0.248 0.000 1.321 587 S CA -0.340 57.768 58.200 -0.152 0.000 1.054 587 S CB 0.647 63.849 63.200 0.004 0.000 0.899 587 S HN 0.176 nan 8.310 nan 0.000 0.497 588 K N 2.760 123.000 120.400 -0.266 0.000 2.243 588 K HA 0.157 4.477 4.320 -0.000 0.000 0.201 588 K C -0.125 176.257 176.600 -0.362 0.000 1.051 588 K CA 0.611 56.718 56.287 -0.299 0.000 0.970 588 K CB -0.128 32.236 32.500 -0.226 0.000 0.755 588 K HN 0.490 nan 8.250 nan 0.000 0.465 589 N N 1.135 119.628 118.700 -0.345 0.000 2.626 589 N HA 0.156 4.896 4.740 -0.000 0.000 0.249 589 N C -1.252 173.985 175.510 -0.454 0.000 1.021 589 N CA -0.171 52.565 53.050 -0.523 0.000 0.886 589 N CB 2.116 40.103 38.487 -0.834 0.000 1.149 589 N HN -0.273 nan 8.380 nan 0.000 0.517 590 V N 1.756 121.433 119.914 -0.394 0.000 2.313 590 V HA 0.315 4.435 4.120 -0.000 0.000 0.278 590 V C 1.340 177.381 176.094 -0.088 0.000 1.017 590 V CA -0.569 61.619 62.300 -0.186 0.000 0.823 590 V CB 1.020 32.747 31.823 -0.159 0.000 1.010 590 V HN 0.635 nan 8.190 nan 0.000 0.443 591 A N 4.933 127.758 122.820 0.009 0.000 1.930 591 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 591 A C 0.635 178.363 177.584 0.239 0.000 1.175 591 A CA 1.496 53.634 52.037 0.168 0.000 0.627 591 A CB -0.008 19.159 19.000 0.278 0.000 0.815 591 A HN 0.703 nan 8.150 nan 0.000 0.443 592 L N -1.663 119.593 121.223 0.054 0.000 2.505 592 L HA 0.524 4.863 4.340 -0.000 0.000 0.266 592 L C -1.369 175.507 176.870 0.011 0.000 0.954 592 L CA -0.571 54.196 54.840 -0.121 0.000 0.852 592 L CB 1.899 43.677 42.059 -0.469 0.000 1.282 592 L HN 0.312 nan 8.230 nan 0.000 0.403 593 H N 4.735 123.765 119.070 -0.067 0.000 2.685 593 H HA 0.472 5.028 4.556 -0.000 0.000 0.307 593 H C -1.892 173.399 175.328 -0.062 0.000 1.017 593 H CA -0.415 55.652 56.048 0.031 0.000 1.237 593 H CB 0.825 30.719 29.762 0.219 0.000 1.409 593 H HN 0.517 nan 8.280 nan 0.000 0.488 594 F N 5.871 125.521 119.950 -0.499 0.000 2.361 594 F HA 0.349 4.876 4.527 0.000 0.000 0.364 594 F C -0.854 174.575 175.800 -0.619 0.000 1.117 594 F CA -0.702 57.013 58.000 -0.474 0.000 1.071 594 F CB 0.512 39.323 39.000 -0.315 0.000 1.188 594 F HN 0.507 nan 8.300 nan 0.000 0.464 595 N N 6.016 124.143 118.700 -0.955 0.000 2.476 595 N HA 0.348 5.088 4.740 -0.000 0.000 0.257 595 N C -1.758 173.238 175.510 -0.858 0.000 0.970 595 N CA -0.195 52.350 53.050 -0.841 0.000 0.938 595 N CB 1.686 39.795 38.487 -0.630 0.000 1.144 595 N HN 0.359 nan 8.380 nan 0.000 0.500 596 V N 1.922 121.267 119.914 -0.948 0.000 2.357 596 V HA 0.657 4.777 4.120 -0.000 0.000 0.284 596 V C 0.787 176.580 176.094 -0.502 0.000 1.018 596 V CA -0.905 60.825 62.300 -0.951 0.000 0.841 596 V CB 1.311 32.070 31.823 -1.773 0.000 0.991 596 V HN 0.660 nan 8.190 nan 0.000 0.437 597 G N 3.449 112.106 108.800 -0.238 0.000 2.470 597 G HA2 0.677 4.637 3.960 -0.000 0.000 0.320 597 G HA3 0.677 4.637 3.960 -0.000 0.000 0.320 597 G C -1.220 173.651 174.900 -0.048 0.000 1.245 597 G CA -0.414 44.677 45.100 -0.014 0.000 0.935 597 G HN 0.399 nan 8.290 nan 0.000 0.476 598 F N 1.721 121.718 119.950 0.078 0.000 2.410 598 F HA 0.327 4.853 4.527 -0.000 0.000 0.349 598 F C 1.751 177.507 175.800 -0.073 0.000 1.117 598 F CA -0.400 57.598 58.000 -0.004 0.000 1.104 598 F CB 2.315 41.386 39.000 0.118 0.000 1.122 598 F HN 0.531 nan 8.300 nan 0.000 0.483 599 T N -2.149 112.349 114.554 -0.093 0.000 3.022 599 T HA 0.290 4.640 4.350 -0.000 0.000 0.250 599 T C 0.420 175.107 174.700 -0.022 0.000 1.060 599 T CA 0.539 62.602 62.100 -0.062 0.000 1.013 599 T CB -0.127 68.642 68.868 -0.165 0.000 0.982 599 T HN 0.552 nan 8.240 nan 0.000 0.508 600 S N -0.349 115.353 115.700 0.003 0.000 2.694 600 S HA 0.360 4.830 4.470 -0.000 0.000 0.273 600 S C -0.606 174.086 174.600 0.153 0.000 1.180 600 S CA -0.535 57.696 58.200 0.050 0.000 0.864 600 S CB 0.624 63.822 63.200 -0.003 0.000 1.198 600 S HN -0.102 nan 8.310 nan 0.000 0.499 601 D N 1.247 121.728 120.400 0.134 0.000 2.182 601 D HA 0.050 4.690 4.640 -0.000 0.000 0.201 601 D C 1.119 177.619 176.300 0.334 0.000 0.986 601 D CA 1.916 56.033 54.000 0.195 0.000 0.847 601 D CB -0.167 40.706 40.800 0.121 0.000 0.942 601 D HN 0.478 nan 8.370 nan 0.000 0.467 602 S N -1.327 114.512 115.700 0.232 0.000 2.787 602 S HA 0.158 4.627 4.470 -0.000 0.000 0.255 602 S C 0.352 175.006 174.600 0.090 0.000 1.051 602 S CA -0.467 57.900 58.200 0.278 0.000 1.124 602 S CB 1.561 64.874 63.200 0.187 0.000 1.104 602 S HN -0.044 nan 8.310 nan 0.000 0.623 603 K N 1.188 121.420 120.400 -0.281 0.000 2.395 603 K HA 0.847 5.167 4.320 -0.000 0.000 0.247 603 K C 0.167 175.932 176.600 -1.391 0.000 0.973 603 K CA -0.498 55.353 56.287 -0.726 0.000 0.828 603 K CB 2.046 34.327 32.500 -0.365 0.000 1.272 603 K HN 0.252 nan 8.250 nan 0.000 0.439 604 G N 0.515 108.287 108.800 -1.713 0.000 2.364 604 G HA2 0.308 4.268 3.960 -0.000 0.000 0.286 604 G HA3 0.308 4.268 3.960 -0.000 0.000 0.286 604 G C -1.815 172.474 174.900 -1.018 0.000 1.241 604 G CA -0.658 43.581 45.100 -1.436 0.000 0.887 604 G HN 0.577 nan 8.290 nan 0.000 0.484 605 H N -1.152 117.823 119.070 -0.158 0.000 2.717 605 H HA 0.733 5.288 4.556 -0.000 0.000 0.366 605 H C -0.618 174.666 175.328 -0.074 0.000 1.132 605 H CA -0.583 55.428 56.048 -0.062 0.000 1.180 605 H CB 2.369 32.062 29.762 -0.115 0.000 1.678 605 H HN 0.438 nan 8.280 nan 0.000 0.537 606 I N 1.801 122.373 120.570 0.004 0.000 2.498 606 I HA 0.670 4.840 4.170 -0.000 0.000 0.290 606 I C -0.636 175.363 176.117 -0.197 0.000 1.032 606 I CA -0.813 60.340 61.300 -0.245 0.000 1.073 606 I CB 1.861 39.689 38.000 -0.287 0.000 1.251 606 I HN 0.644 nan 8.210 nan 0.000 0.426 607 A N 4.997 127.638 122.820 -0.298 0.000 2.435 607 A HA 0.807 5.127 4.320 -0.000 0.000 0.304 607 A C -1.226 176.222 177.584 -0.226 0.000 1.064 607 A CA -0.412 51.512 52.037 -0.187 0.000 0.727 607 A CB 1.657 20.567 19.000 -0.150 0.000 1.284 607 A HN 0.755 nan 8.150 nan 0.000 0.415 608 C N 1.537 120.783 119.300 -0.090 0.000 2.456 608 C HA 0.897 5.357 4.460 -0.000 0.000 0.325 608 C C 0.179 175.174 174.990 0.008 0.000 1.217 608 C CA -0.462 58.470 59.018 -0.144 0.000 1.687 608 C CB 1.371 28.987 27.740 -0.207 0.000 2.270 608 C HN 0.956 nan 8.230 nan 0.000 0.499 609 N N 0.089 118.793 118.700 0.007 0.000 2.934 609 N HA 0.815 5.555 4.740 -0.000 0.000 0.253 609 N C -1.647 174.136 175.510 0.456 0.000 1.466 609 N CA -0.215 53.035 53.050 0.334 0.000 0.858 609 N CB 2.095 40.766 38.487 0.306 0.000 1.459 609 N HN 0.924 nan 8.380 nan 0.000 0.532 610 A N 0.594 123.774 122.820 0.599 0.000 2.549 610 A HA 0.706 5.026 4.320 -0.000 0.000 0.297 610 A C -1.230 176.408 177.584 0.091 0.000 1.061 610 A CA -0.596 51.682 52.037 0.401 0.000 0.690 610 A CB 1.506 20.805 19.000 0.500 0.000 1.287 610 A HN 0.556 nan 8.150 nan 0.000 0.402 611 R N 2.162 122.435 120.500 -0.378 0.000 2.360 611 R HA 0.612 4.952 4.340 -0.000 0.000 0.318 611 R C -1.241 174.776 176.300 -0.472 0.000 0.950 611 R CA -0.357 55.272 56.100 -0.785 0.000 0.837 611 R CB 1.004 30.303 30.300 -1.667 0.000 1.165 611 R HN 0.815 nan 8.270 nan 0.000 0.458 612 M N 3.945 123.347 119.600 -0.329 0.000 2.114 612 M HA 0.161 4.641 4.480 -0.000 0.000 0.332 612 M C 0.180 176.345 176.300 -0.226 0.000 1.014 612 M CA -0.682 54.477 55.300 -0.236 0.000 0.956 612 M CB 1.491 34.016 32.600 -0.125 0.000 1.551 612 M HN 0.645 nan 8.290 nan 0.000 0.427 613 N N 2.529 121.092 118.700 -0.229 0.000 2.708 613 N HA -0.219 4.521 4.740 -0.000 0.000 0.251 613 N C 0.652 176.047 175.510 -0.191 0.000 1.017 613 N CA 1.747 54.691 53.050 -0.177 0.000 0.742 613 N CB -0.694 37.728 38.487 -0.108 0.000 0.943 613 N HN 1.146 nan 8.380 nan 0.000 0.539 614 G N -3.106 105.528 108.800 -0.276 0.000 2.234 614 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.235 614 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.235 614 G C 0.196 174.931 174.900 -0.275 0.000 0.997 614 G CA 0.353 45.291 45.100 -0.270 0.000 0.623 614 G HN 0.663 nan 8.290 nan 0.000 0.514 615 T N 1.186 115.594 114.554 -0.243 0.000 2.749 615 T HA 0.481 4.831 4.350 -0.000 0.000 0.287 615 T C -0.141 174.453 174.700 -0.177 0.000 0.970 615 T CA -0.276 61.738 62.100 -0.143 0.000 0.980 615 T CB 0.737 69.564 68.868 -0.069 0.000 0.924 615 T HN 0.294 nan 8.240 nan 0.000 0.456 616 W N 2.093 123.360 121.300 -0.054 0.000 2.218 616 W HA 0.510 5.170 4.660 -0.000 0.000 0.326 616 W C 1.137 177.649 176.519 -0.011 0.000 1.276 616 W CA -0.408 56.912 57.345 -0.042 0.000 1.210 616 W CB 0.553 29.973 29.460 -0.067 0.000 1.143 616 W HN 0.842 nan 8.180 nan 0.000 0.563 617 G N 0.887 109.865 108.800 0.296 0.000 2.543 617 G HA2 0.321 4.280 3.960 -0.000 0.000 0.290 617 G HA3 0.321 4.280 3.960 -0.000 0.000 0.290 617 G C -0.616 174.398 174.900 0.190 0.000 1.310 617 G CA -0.780 44.438 45.100 0.198 0.000 1.025 617 G HN 0.386 nan 8.290 nan 0.000 0.502 618 S N 0.130 115.907 115.700 0.129 0.000 2.549 618 S HA 0.147 4.617 4.470 -0.000 0.000 0.279 618 S C 0.322 174.992 174.600 0.116 0.000 1.321 618 S CA -0.234 58.022 58.200 0.092 0.000 1.054 618 S CB 0.682 63.918 63.200 0.060 0.000 0.899 618 S HN 0.508 nan 8.310 nan 0.000 0.497 619 E N 1.770 122.009 120.200 0.065 0.000 2.502 619 E HA -0.021 4.329 4.350 -0.000 0.000 0.261 619 E C -0.419 176.231 176.600 0.082 0.000 0.974 619 E CA 0.247 56.682 56.400 0.058 0.000 0.936 619 E CB 0.279 29.966 29.700 -0.022 0.000 0.926 619 E HN 0.301 nan 8.360 nan 0.000 0.459 620 I N 3.226 123.873 120.570 0.127 0.000 2.321 620 I HA 0.101 4.271 4.170 -0.000 0.000 0.291 620 I C 0.367 176.525 176.117 0.069 0.000 0.998 620 I CA -0.513 60.862 61.300 0.125 0.000 1.227 620 I CB 0.888 39.026 38.000 0.229 0.000 1.368 620 I HN 0.331 nan 8.210 nan 0.000 0.466 621 T N 5.497 120.077 114.554 0.042 0.000 2.832 621 T HA 0.472 4.822 4.350 -0.000 0.000 0.296 621 T C 0.298 175.020 174.700 0.037 0.000 0.968 621 T CA -0.491 61.621 62.100 0.019 0.000 1.107 621 T CB 1.441 70.316 68.868 0.011 0.000 0.916 621 T HN 0.266 nan 8.240 nan 0.000 0.517 622 V N 2.787 122.717 119.914 0.026 0.000 2.435 622 V HA 0.302 4.422 4.120 -0.000 0.000 0.290 622 V C 1.132 177.253 176.094 0.044 0.000 1.030 622 V CA -0.366 61.958 62.300 0.040 0.000 0.881 622 V CB 1.702 33.546 31.823 0.036 0.000 0.983 622 V HN 1.031 nan 8.190 nan 0.000 0.445 623 S N 1.692 117.418 115.700 0.044 0.000 2.456 623 S HA 0.049 4.519 4.470 -0.000 0.000 0.224 623 S C 0.638 175.267 174.600 0.048 0.000 1.035 623 S CA 0.240 58.467 58.200 0.044 0.000 0.940 623 S CB 0.084 63.305 63.200 0.034 0.000 0.799 623 S HN 0.875 nan 8.310 nan 0.000 0.508 624 D N 0.402 120.824 120.400 0.037 0.000 2.264 624 D HA 0.254 4.894 4.640 -0.000 0.000 0.249 624 D C -1.124 175.209 176.300 0.056 0.000 1.070 624 D CA -0.097 53.923 54.000 0.033 0.000 0.912 624 D CB 0.859 41.653 40.800 -0.009 0.000 1.193 624 D HN 0.205 nan 8.370 nan 0.000 0.427 625 F N 3.009 122.902 119.950 -0.094 0.000 2.434 625 F HA 0.272 4.799 4.527 -0.000 0.000 0.367 625 F C -1.769 173.948 175.800 -0.138 0.000 1.093 625 F CA -1.805 56.125 58.000 -0.117 0.000 1.085 625 F CB 1.762 40.687 39.000 -0.125 0.000 1.322 625 F HN 0.101 nan 8.300 nan 0.000 0.452 626 P HA 0.149 nan 4.420 nan 0.000 0.266 626 P C -0.638 176.374 177.300 -0.481 0.000 1.381 626 P CA 0.234 63.086 63.100 -0.414 0.000 0.940 626 P CB -0.060 31.343 31.700 -0.494 0.000 1.435 627 F N 0.461 120.226 119.950 -0.310 0.000 2.432 627 F HA 0.619 5.146 4.527 -0.000 0.000 0.329 627 F C 0.781 176.777 175.800 0.326 0.000 1.076 627 F CA -0.517 57.433 58.000 -0.083 0.000 1.018 627 F CB 1.381 40.173 39.000 -0.347 0.000 1.201 627 F HN -0.220 nan 8.300 nan 0.000 0.489 628 Q N 1.464 121.652 119.800 0.647 0.000 2.284 628 Q HA 0.386 4.726 4.340 -0.000 0.000 0.269 628 Q C -1.056 175.199 176.000 0.426 0.000 1.026 628 Q CA -0.885 55.238 55.803 0.533 0.000 0.831 628 Q CB 1.684 30.613 28.738 0.319 0.000 1.322 628 Q HN 0.599 nan 8.270 nan 0.000 0.419 629 R N 1.162 121.834 120.500 0.287 0.000 2.640 629 R HA 0.228 4.568 4.340 -0.000 0.000 0.270 629 R C 0.946 177.297 176.300 0.084 0.000 1.024 629 R CA 1.458 57.587 56.100 0.049 0.000 1.085 629 R CB 0.189 30.449 30.300 -0.066 0.000 0.963 629 R HN 1.015 nan 8.270 nan 0.000 0.426 630 G N 1.626 110.457 108.800 0.051 0.000 2.212 630 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.266 630 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.266 630 G C 0.131 175.075 174.900 0.074 0.000 0.978 630 G CA 0.669 45.799 45.100 0.051 0.000 0.632 630 G HN 0.536 nan 8.290 nan 0.000 0.537 631 K N 1.349 121.826 120.400 0.129 0.000 2.235 631 K HA 0.568 4.887 4.320 -0.000 0.000 0.266 631 K C -2.526 174.166 176.600 0.154 0.000 0.980 631 K CA -2.335 54.037 56.287 0.140 0.000 0.849 631 K CB 1.684 34.293 32.500 0.183 0.000 1.098 631 K HN -0.028 nan 8.250 nan 0.000 0.445 632 P HA 0.045 nan 4.420 nan 0.000 0.268 632 P C -1.151 176.213 177.300 0.106 0.000 1.205 632 P CA -0.025 63.072 63.100 -0.006 0.000 0.771 632 P CB 0.230 31.903 31.700 -0.045 0.000 0.858 633 F N -1.021 118.984 119.950 0.092 0.000 2.561 633 F HA 0.733 5.260 4.527 -0.000 0.000 0.321 633 F C -0.593 175.264 175.800 0.095 0.000 1.065 633 F CA -0.986 57.096 58.000 0.137 0.000 0.934 633 F CB 0.912 40.114 39.000 0.337 0.000 1.215 633 F HN -0.012 nan 8.300 nan 0.000 0.471 634 T N 4.588 119.349 114.554 0.344 0.000 2.893 634 T HA 0.413 4.763 4.350 -0.000 0.000 0.324 634 T C -0.933 173.955 174.700 0.314 0.000 1.082 634 T CA -0.279 61.973 62.100 0.254 0.000 0.983 634 T CB 0.619 69.557 68.868 0.117 0.000 1.005 634 T HN 0.699 nan 8.240 nan 0.000 0.475 635 L N 4.271 125.748 121.223 0.424 0.000 2.281 635 L HA 0.428 4.768 4.340 -0.000 0.000 0.285 635 L C -0.209 176.725 176.870 0.107 0.000 1.074 635 L CA 0.231 55.212 54.840 0.235 0.000 0.817 635 L CB 0.585 42.801 42.059 0.263 0.000 1.168 635 L HN 0.547 nan 8.230 nan 0.000 0.434 636 Q N 5.632 125.454 119.800 0.038 0.000 2.312 636 Q HA 0.599 4.939 4.340 -0.000 0.000 0.263 636 Q C -1.196 174.803 176.000 -0.002 0.000 0.995 636 Q CA -0.444 55.379 55.803 0.033 0.000 0.853 636 Q CB 2.604 31.370 28.738 0.047 0.000 1.300 636 Q HN 0.635 nan 8.270 nan 0.000 0.448 637 I N 3.457 124.045 120.570 0.030 0.000 2.466 637 I HA 0.196 4.366 4.170 -0.000 0.000 0.279 637 I C -1.125 175.094 176.117 0.169 0.000 1.033 637 I CA -0.829 60.511 61.300 0.067 0.000 1.123 637 I CB 1.147 39.143 38.000 -0.005 0.000 1.237 637 I HN 0.316 nan 8.210 nan 0.000 0.460 638 L N 6.390 127.720 121.223 0.179 0.000 2.290 638 L HA 0.419 4.759 4.340 -0.000 0.000 0.284 638 L C 0.233 177.253 176.870 0.249 0.000 1.078 638 L CA 0.546 55.493 54.840 0.178 0.000 0.815 638 L CB 1.257 43.383 42.059 0.113 0.000 1.162 638 L HN 0.456 nan 8.230 nan 0.000 0.435 639 T N 6.143 120.837 114.554 0.233 0.000 2.727 639 T HA 0.395 4.745 4.350 -0.000 0.000 0.295 639 T C 0.574 175.338 174.700 0.106 0.000 0.915 639 T CA -0.221 61.996 62.100 0.196 0.000 1.066 639 T CB 0.135 69.116 68.868 0.190 0.000 0.891 639 T HN 0.603 nan 8.240 nan 0.000 0.516 640 R N 1.619 122.132 120.500 0.022 0.000 2.601 640 R HA 0.357 4.697 4.340 -0.000 0.000 0.220 640 R C 1.435 177.714 176.300 -0.036 0.000 1.329 640 R CA -0.928 55.146 56.100 -0.042 0.000 1.043 640 R CB 0.427 30.655 30.300 -0.120 0.000 1.807 640 R HN 0.414 nan 8.270 nan 0.000 0.537 641 E N 0.148 120.299 120.200 -0.083 0.000 2.107 641 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 641 E C 1.041 177.584 176.600 -0.095 0.000 0.982 641 E CA 1.503 57.885 56.400 -0.031 0.000 0.809 641 E CB 0.206 29.884 29.700 -0.038 0.000 0.756 641 E HN 0.603 nan 8.360 nan 0.000 0.459 642 A N 0.885 123.451 122.820 -0.423 0.000 2.600 642 A HA 0.120 4.440 4.320 -0.000 0.000 0.252 642 A C -0.170 176.644 177.584 -1.283 0.000 1.200 642 A CA 0.111 51.782 52.037 -0.610 0.000 0.981 642 A CB 0.444 19.282 19.000 -0.271 0.000 1.207 642 A HN 0.217 nan 8.150 nan 0.000 0.577 643 D N -1.998 117.545 120.400 -1.427 0.000 2.643 643 D HA 0.482 5.122 4.640 -0.000 0.000 0.283 643 D C -1.147 174.751 176.300 -0.671 0.000 1.242 643 D CA -0.672 52.709 54.000 -1.033 0.000 0.863 643 D CB 0.167 40.742 40.800 -0.375 0.000 1.382 643 D HN -0.118 nan 8.370 nan 0.000 0.444 644 F N 0.237 120.231 119.950 0.072 0.000 2.420 644 F HA 0.367 4.894 4.527 -0.000 0.000 0.342 644 F C 0.994 176.858 175.800 0.106 0.000 1.113 644 F CA -0.659 57.454 58.000 0.188 0.000 1.059 644 F CB 1.718 40.887 39.000 0.282 0.000 1.128 644 F HN 0.185 nan 8.300 nan 0.000 0.475 645 Q N 2.520 122.460 119.800 0.233 0.000 2.256 645 Q HA 0.562 4.901 4.340 -0.000 0.000 0.254 645 Q C -1.449 174.631 176.000 0.134 0.000 0.916 645 Q CA -0.518 55.374 55.803 0.149 0.000 0.932 645 Q CB 1.362 30.151 28.738 0.086 0.000 1.207 645 Q HN 0.563 nan 8.270 nan 0.000 0.426 646 V N 5.761 125.721 119.914 0.077 0.000 2.409 646 V HA 0.434 4.554 4.120 -0.000 0.000 0.291 646 V C -0.723 175.354 176.094 -0.028 0.000 1.020 646 V CA -0.671 61.615 62.300 -0.023 0.000 0.848 646 V CB 1.271 33.034 31.823 -0.101 0.000 0.990 646 V HN 0.664 nan 8.190 nan 0.000 0.430 647 L N 5.316 126.513 121.223 -0.043 0.000 2.354 647 L HA 0.787 5.127 4.340 -0.000 0.000 0.269 647 L C -0.456 176.384 176.870 -0.051 0.000 1.005 647 L CA -0.573 54.248 54.840 -0.032 0.000 0.819 647 L CB 2.242 44.299 42.059 -0.003 0.000 1.311 647 L HN 0.356 nan 8.230 nan 0.000 0.423 648 V N 0.621 120.491 119.914 -0.074 0.000 2.638 648 V HA 0.356 4.476 4.120 -0.000 0.000 0.306 648 V C -0.975 175.081 176.094 -0.063 0.000 1.052 648 V CA -0.805 61.436 62.300 -0.098 0.000 0.885 648 V CB 1.817 33.445 31.823 -0.326 0.000 0.999 648 V HN 0.825 nan 8.190 nan 0.000 0.424 649 D N 4.253 124.660 120.400 0.012 0.000 2.704 649 D HA -0.208 4.431 4.640 -0.000 0.000 0.232 649 D C 0.976 177.280 176.300 0.006 0.000 1.183 649 D CA 1.235 55.249 54.000 0.025 0.000 0.647 649 D CB -0.688 40.121 40.800 0.016 0.000 1.013 649 D HN 0.885 nan 8.370 nan 0.000 0.415 650 K N -2.839 117.568 120.400 0.012 0.000 3.472 650 K HA -0.307 4.012 4.320 -0.000 0.000 0.315 650 K C 0.394 176.993 176.600 -0.002 0.000 1.320 650 K CA 1.238 57.531 56.287 0.009 0.000 0.962 650 K CB -0.768 31.739 32.500 0.013 0.000 1.251 650 K HN 0.386 nan 8.250 nan 0.000 0.443 651 Q N 0.547 120.336 119.800 -0.018 0.000 2.293 651 Q HA 0.303 4.643 4.340 -0.000 0.000 0.261 651 Q C -2.697 173.287 176.000 -0.027 0.000 0.960 651 Q CA -2.319 53.470 55.803 -0.023 0.000 0.882 651 Q CB 1.465 30.182 28.738 -0.036 0.000 1.275 651 Q HN -0.174 nan 8.270 nan 0.000 0.445 652 P HA -0.077 nan 4.420 nan 0.000 0.264 652 P C -0.646 176.647 177.300 -0.011 0.000 1.193 652 P CA 0.157 63.255 63.100 -0.004 0.000 0.763 652 P CB 0.730 32.434 31.700 0.006 0.000 0.810 653 L N 3.255 124.475 121.223 -0.004 0.000 2.541 653 L HA 0.412 4.751 4.340 -0.000 0.000 0.187 653 L C 0.616 177.513 176.870 0.045 0.000 1.098 653 L CA 1.664 56.506 54.840 0.003 0.000 0.846 653 L CB 0.005 42.060 42.059 -0.006 0.000 1.151 653 L HN 0.385 nan 8.230 nan 0.000 0.492 654 T N -1.190 113.407 114.554 0.070 0.000 2.739 654 T HA 0.468 4.818 4.350 -0.000 0.000 0.303 654 T C -1.959 172.815 174.700 0.122 0.000 1.389 654 T CA -0.481 61.681 62.100 0.103 0.000 1.001 654 T CB 1.287 70.243 68.868 0.147 0.000 1.436 654 T HN 0.435 nan 8.240 nan 0.000 0.500 655 Q N 0.843 120.734 119.800 0.151 0.000 2.433 655 Q HA 0.793 5.133 4.340 -0.000 0.000 0.279 655 Q C -1.840 174.343 176.000 0.305 0.000 1.105 655 Q CA -0.938 54.977 55.803 0.186 0.000 0.815 655 Q CB 2.304 31.102 28.738 0.100 0.000 1.403 655 Q HN 0.493 nan 8.270 nan 0.000 0.435 656 F N 1.710 121.752 119.950 0.152 0.000 2.745 656 F HA 0.263 4.790 4.527 -0.000 0.000 0.343 656 F C -1.104 174.803 175.800 0.178 0.000 1.196 656 F CA -0.562 57.560 58.000 0.203 0.000 1.021 656 F CB 1.866 41.049 39.000 0.306 0.000 1.297 656 F HN 0.530 nan 8.300 nan 0.000 0.486 657 Q N 3.797 123.437 119.800 -0.267 0.000 2.386 657 Q HA 0.023 4.363 4.340 -0.000 0.000 0.282 657 Q C -0.877 175.019 176.000 -0.172 0.000 1.050 657 Q CA 0.279 55.919 55.803 -0.271 0.000 0.918 657 Q CB 0.222 28.818 28.738 -0.237 0.000 1.266 657 Q HN 0.442 nan 8.270 nan 0.000 0.423 658 Y N 2.084 122.315 120.300 -0.115 0.000 2.650 658 Y HA -0.018 4.532 4.550 -0.000 0.000 0.342 658 Y C 1.329 177.210 175.900 -0.032 0.000 1.110 658 Y CA 0.016 58.100 58.100 -0.027 0.000 1.438 658 Y CB 0.045 38.462 38.460 -0.071 0.000 1.181 658 Y HN 0.509 nan 8.280 nan 0.000 0.526 659 R N 1.885 122.492 120.500 0.178 0.000 2.064 659 R HA 0.178 4.518 4.340 -0.000 0.000 0.221 659 R C 0.056 176.417 176.300 0.102 0.000 1.136 659 R CA 0.533 56.689 56.100 0.094 0.000 0.980 659 R CB -0.117 30.238 30.300 0.092 0.000 0.876 659 R HN 0.534 nan 8.270 nan 0.000 0.437 660 L N 2.379 123.681 121.223 0.131 0.000 2.261 660 L HA 0.199 4.538 4.340 -0.000 0.000 0.289 660 L C 0.542 177.479 176.870 0.111 0.000 1.059 660 L CA -0.274 54.622 54.840 0.094 0.000 0.816 660 L CB 1.146 43.209 42.059 0.006 0.000 1.191 660 L HN 0.054 nan 8.230 nan 0.000 0.431 661 K N 2.160 122.616 120.400 0.094 0.000 2.444 661 K HA 0.067 4.387 4.320 -0.000 0.000 0.193 661 K C -0.011 176.584 176.600 -0.009 0.000 1.024 661 K CA 0.329 56.633 56.287 0.029 0.000 1.077 661 K CB 0.266 32.801 32.500 0.058 0.000 0.833 661 K HN 0.587 nan 8.250 nan 0.000 0.517 662 E N 1.818 122.061 120.200 0.071 0.000 2.026 662 E HA 0.138 4.488 4.350 -0.000 0.000 0.253 662 E C 0.732 177.271 176.600 -0.102 0.000 1.056 662 E CA -0.174 56.209 56.400 -0.028 0.000 0.927 662 E CB 0.224 29.886 29.700 -0.065 0.000 1.172 662 E HN 0.051 nan 8.360 nan 0.000 0.445 663 L N 1.757 122.905 121.223 -0.125 0.000 2.131 663 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 663 L C 2.093 178.895 176.870 -0.113 0.000 1.092 663 L CA 1.039 55.803 54.840 -0.127 0.000 0.759 663 L CB -0.415 41.540 42.059 -0.173 0.000 0.903 663 L HN 0.490 nan 8.230 nan 0.000 0.435 664 D N -0.867 119.455 120.400 -0.130 0.000 2.348 664 D HA -0.186 4.454 4.640 -0.000 0.000 0.216 664 D C 1.619 177.799 176.300 -0.199 0.000 0.970 664 D CA 0.713 54.634 54.000 -0.130 0.000 0.889 664 D CB -0.049 40.689 40.800 -0.103 0.000 0.912 664 D HN 0.360 nan 8.370 nan 0.000 0.524 665 Q N 0.093 119.698 119.800 -0.326 0.000 2.319 665 Q HA 0.247 4.586 4.340 -0.000 0.000 0.209 665 Q C 0.870 176.580 176.000 -0.483 0.000 0.884 665 Q CA -0.162 55.322 55.803 -0.532 0.000 0.938 665 Q CB 0.888 29.066 28.738 -0.933 0.000 1.098 665 Q HN 0.437 nan 8.270 nan 0.000 0.517 666 I N 2.478 122.929 120.570 -0.198 0.000 2.472 666 I HA -0.046 4.124 4.170 -0.000 0.000 0.305 666 I C 1.107 177.205 176.117 -0.031 0.000 1.196 666 I CA 0.078 61.417 61.300 0.065 0.000 1.613 666 I CB 0.165 38.258 38.000 0.155 0.000 1.501 666 I HN -0.294 nan 8.210 nan 0.000 0.754 667 K N 3.753 124.112 120.400 -0.068 0.000 2.418 667 K HA 0.105 4.425 4.320 -0.000 0.000 0.195 667 K C -0.453 175.810 176.600 -0.562 0.000 1.035 667 K CA 0.627 56.725 56.287 -0.315 0.000 1.003 667 K CB 0.068 32.346 32.500 -0.372 0.000 0.793 667 K HN 0.343 nan 8.250 nan 0.000 0.494 668 Y N -1.146 119.189 120.300 0.058 0.000 2.534 668 Y HA 0.331 4.880 4.550 -0.000 0.000 0.345 668 Y C -0.414 175.549 175.900 0.107 0.000 1.031 668 Y CA -1.177 56.968 58.100 0.075 0.000 1.022 668 Y CB 2.011 40.529 38.460 0.097 0.000 1.292 668 Y HN -0.442 nan 8.280 nan 0.000 0.459 669 V N 2.434 122.519 119.914 0.284 0.000 2.409 669 V HA 0.308 4.428 4.120 -0.000 0.000 0.291 669 V C -0.851 175.458 176.094 0.359 0.000 1.020 669 V CA -0.714 61.740 62.300 0.256 0.000 0.848 669 V CB 1.317 33.236 31.823 0.160 0.000 0.990 669 V HN 0.830 nan 8.190 nan 0.000 0.430 670 H N 5.759 124.991 119.070 0.270 0.000 2.539 670 H HA 0.646 5.202 4.556 -0.000 0.000 0.332 670 H C -0.805 174.732 175.328 0.348 0.000 1.031 670 H CA -0.763 55.495 56.048 0.349 0.000 1.206 670 H CB 1.517 31.527 29.762 0.413 0.000 1.446 670 H HN 0.658 nan 8.280 nan 0.000 0.496 671 M N 7.193 127.028 119.600 0.392 0.000 2.311 671 M HA 0.369 4.849 4.480 -0.000 0.000 0.325 671 M C -1.810 174.648 176.300 0.263 0.000 1.061 671 M CA -0.701 54.709 55.300 0.184 0.000 0.957 671 M CB 0.899 33.634 32.600 0.224 0.000 1.646 671 M HN 0.573 nan 8.290 nan 0.000 0.434 672 F N 2.201 122.161 119.950 0.017 0.000 2.754 672 F HA 1.011 5.537 4.527 -0.000 0.000 0.320 672 F C -0.186 175.592 175.800 -0.037 0.000 1.156 672 F CA -0.074 57.883 58.000 -0.070 0.000 0.950 672 F CB 0.676 39.584 39.000 -0.155 0.000 1.388 672 F HN 0.886 nan 8.300 nan 0.000 0.485 673 G N 0.029 108.821 108.800 -0.013 0.000 2.342 673 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.220 673 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.220 673 G C -1.549 172.883 174.900 -0.781 0.000 1.243 673 G CA -0.631 44.097 45.100 -0.620 0.000 1.083 673 G HN 1.181 nan 8.290 nan 0.000 0.500 674 H N 0.498 119.079 119.070 -0.815 0.000 2.640 674 H HA 0.436 4.992 4.556 -0.000 0.000 0.220 674 H C 0.426 175.514 175.328 -0.400 0.000 1.852 674 H CA 0.000 55.581 56.048 -0.780 0.000 1.275 674 H CB -0.025 29.441 29.762 -0.493 0.000 1.675 674 H HN 0.657 nan 8.280 nan 0.000 0.523 675 V N -0.577 119.192 119.914 -0.240 0.000 2.735 675 V HA 0.689 4.808 4.120 -0.000 0.000 0.310 675 V C 0.140 176.274 176.094 0.067 0.000 1.061 675 V CA -1.055 61.192 62.300 -0.088 0.000 0.913 675 V CB 1.536 33.261 31.823 -0.164 0.000 1.005 675 V HN 0.230 nan 8.190 nan 0.000 0.428 676 V N 0.801 120.744 119.914 0.048 0.000 3.181 676 V HA 0.651 4.771 4.120 -0.000 0.000 0.314 676 V C 0.141 176.209 176.094 -0.044 0.000 1.173 676 V CA -0.975 61.366 62.300 0.068 0.000 1.052 676 V CB 1.252 33.136 31.823 0.102 0.000 1.123 676 V HN 1.063 nan 8.190 nan 0.000 0.454 677 Q N 0.359 120.133 119.800 -0.044 0.000 2.439 677 Q HA -0.164 4.176 4.340 -0.000 0.000 0.325 677 Q C 0.203 176.136 176.000 -0.111 0.000 1.372 677 Q CA 0.835 56.595 55.803 -0.072 0.000 0.909 677 Q CB -1.573 27.122 28.738 -0.071 0.000 1.167 677 Q HN 1.179 nan 8.270 nan 0.000 0.418 678 T N -2.479 112.008 114.554 -0.111 0.000 2.907 678 T HA 0.618 4.968 4.350 -0.000 0.000 0.284 678 T C -0.521 174.169 174.700 -0.017 0.000 1.004 678 T CA -0.691 61.339 62.100 -0.117 0.000 1.063 678 T CB 2.193 70.971 68.868 -0.150 0.000 0.992 678 T HN 0.406 nan 8.240 nan 0.000 0.483 679 H N 0.362 119.364 119.070 -0.113 0.000 2.996 679 H HA 0.664 5.220 4.556 -0.000 0.000 0.368 679 H C -1.952 173.367 175.328 -0.015 0.000 1.185 679 H CA -0.904 55.108 56.048 -0.060 0.000 1.160 679 H CB 1.334 31.063 29.762 -0.055 0.000 1.820 679 H HN 0.630 nan 8.280 nan 0.000 0.547 680 L N 3.585 124.500 121.223 -0.514 0.000 2.438 680 L HA 0.446 4.785 4.340 -0.000 0.000 0.270 680 L C -0.919 175.760 176.870 -0.319 0.000 0.972 680 L CA -0.441 54.251 54.840 -0.246 0.000 0.831 680 L CB 1.957 43.969 42.059 -0.079 0.000 1.273 680 L HN 0.795 nan 8.230 nan 0.000 0.405 681 E N 1.110 121.265 120.200 -0.074 0.000 2.433 681 E HA 0.686 5.036 4.350 -0.000 0.000 0.278 681 E C -1.547 175.141 176.600 0.146 0.000 0.976 681 E CA -0.982 55.437 56.400 0.032 0.000 0.793 681 E CB 2.480 32.234 29.700 0.089 0.000 1.311 681 E HN 0.661 nan 8.360 nan 0.000 0.460 682 H N -0.466 118.619 119.070 0.025 0.000 2.895 682 H HA 0.569 5.125 4.556 -0.000 0.000 0.373 682 H C -1.238 174.113 175.328 0.038 0.000 1.174 682 H CA -0.762 55.308 56.048 0.037 0.000 1.144 682 H CB 2.364 32.147 29.762 0.035 0.000 1.793 682 H HN 0.656 nan 8.280 nan 0.000 0.551 683 Q N 2.496 122.217 119.800 -0.132 0.000 2.391 683 Q HA 0.468 4.808 4.340 -0.000 0.000 0.279 683 Q C -2.037 173.934 176.000 -0.050 0.000 1.028 683 Q CA -1.102 54.612 55.803 -0.149 0.000 0.836 683 Q CB 2.965 31.674 28.738 -0.048 0.000 1.414 683 Q HN 0.642 nan 8.270 nan 0.000 0.397 684 V N 5.003 124.885 119.914 -0.054 0.000 2.275 684 V HA 0.422 4.542 4.120 -0.000 0.000 0.272 684 V C -1.869 174.225 176.094 0.001 0.000 1.028 684 V CA -0.803 61.497 62.300 0.000 0.000 0.810 684 V CB 0.322 32.149 31.823 0.006 0.000 1.043 684 V HN 0.713 nan 8.190 nan 0.000 0.453 685 P HA 0.000 nan 4.420 nan 0.000 0.216 685 P CA 0.000 63.107 63.100 0.011 0.000 0.800 685 P CB 0.000 31.709 31.700 0.015 0.000 0.726