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 2o2p_1_B 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 0.000 176.063 176.094 -0.052 0.000 1.182 405 V CA 0.000 62.309 62.300 0.015 0.000 1.235 405 V CB 0.000 31.837 31.823 0.023 0.000 1.184 406 I N 3.159 123.635 120.570 -0.156 0.000 2.385 406 I HA 0.391 4.562 4.170 0.001 0.000 0.294 406 I C 0.510 176.218 176.117 -0.682 0.000 0.988 406 I CA -0.179 60.863 61.300 -0.430 0.000 1.265 406 I CB 1.349 38.984 38.000 -0.608 0.000 1.388 406 I HN 0.646 nan 8.210 nan 0.000 0.480 407 N N 5.013 123.397 118.700 -0.527 0.000 2.497 407 N HA 0.296 5.037 4.740 0.001 0.000 0.271 407 N C -1.462 173.778 175.510 -0.451 0.000 1.142 407 N CA -0.084 52.766 53.050 -0.334 0.000 0.965 407 N CB 0.541 38.976 38.487 -0.085 0.000 1.077 407 N HN 0.335 nan 8.380 nan 0.000 0.462 408 Y N 0.088 120.434 120.300 0.077 0.000 2.524 408 Y HA 0.429 4.980 4.550 0.001 0.000 0.344 408 Y C -0.060 175.914 175.900 0.124 0.000 1.012 408 Y CA -1.139 57.007 58.100 0.076 0.000 1.068 408 Y CB 1.074 39.531 38.460 -0.005 0.000 1.249 408 Y HN 0.113 nan 8.280 nan 0.000 0.468 409 V N 2.098 122.180 119.914 0.281 0.000 2.385 409 V HA 0.187 4.308 4.120 0.001 0.000 0.269 409 V C -0.089 176.056 176.094 0.085 0.000 1.043 409 V CA -0.682 61.677 62.300 0.099 0.000 0.906 409 V CB 0.884 32.720 31.823 0.021 0.000 0.995 409 V HN 0.729 nan 8.190 nan 0.000 0.467 410 E N 4.591 124.819 120.200 0.046 0.000 2.231 410 E HA 0.604 4.955 4.350 0.001 0.000 0.277 410 E C -0.563 176.031 176.600 -0.011 0.000 0.999 410 E CA -0.833 55.571 56.400 0.007 0.000 0.827 410 E CB 1.248 30.950 29.700 0.002 0.000 1.101 410 E HN 0.622 nan 8.360 nan 0.000 0.393 411 K N 2.390 122.777 120.400 -0.022 0.000 2.588 411 K HA 0.455 4.776 4.320 0.001 0.000 0.250 411 K C -1.909 174.672 176.600 -0.032 0.000 0.972 411 K CA -0.453 55.820 56.287 -0.024 0.000 0.821 411 K CB 1.661 34.150 32.500 -0.019 0.000 1.249 411 K HN 0.415 nan 8.250 nan 0.000 0.442 412 A N 3.696 126.496 122.820 -0.033 0.000 2.316 412 A HA 0.624 4.945 4.320 0.001 0.000 0.311 412 A C -0.616 176.943 177.584 -0.041 0.000 1.339 412 A CA -0.217 51.798 52.037 -0.038 0.000 0.960 412 A CB -0.182 18.797 19.000 -0.035 0.000 1.152 412 A HN 0.742 nan 8.150 nan 0.000 0.547 413 V N 0.090 119.974 119.914 -0.049 0.000 3.120 413 V HA 0.638 4.759 4.120 0.001 0.000 0.303 413 V C 0.216 176.258 176.094 -0.086 0.000 1.238 413 V CA -0.762 61.501 62.300 -0.061 0.000 1.008 413 V CB 1.388 33.179 31.823 -0.053 0.000 1.064 413 V HN 0.944 nan 8.190 nan 0.000 0.434 414 N N 1.479 120.111 118.700 -0.113 0.000 2.725 414 N HA -0.240 4.500 4.740 0.001 0.000 0.249 414 N C 0.461 175.882 175.510 -0.148 0.000 1.103 414 N CA 1.436 54.380 53.050 -0.176 0.000 0.707 414 N CB -1.152 37.170 38.487 -0.275 0.000 1.043 414 N HN 1.116 nan 8.380 nan 0.000 0.553 415 K N -2.648 117.693 120.400 -0.098 0.000 3.281 415 K HA -0.211 4.110 4.320 0.001 0.000 0.295 415 K C -0.431 176.132 176.600 -0.063 0.000 1.233 415 K CA 1.348 57.591 56.287 -0.073 0.000 0.866 415 K CB -1.494 30.963 32.500 -0.070 0.000 1.265 415 K HN 0.461 nan 8.250 nan 0.000 0.482 416 L N -0.580 120.605 121.223 -0.064 0.000 2.309 416 L HA 0.450 4.791 4.340 0.001 0.000 0.261 416 L C 0.181 177.022 176.870 -0.049 0.000 1.021 416 L CA -1.035 53.774 54.840 -0.051 0.000 0.823 416 L CB 2.223 44.256 42.059 -0.044 0.000 1.366 416 L HN -0.158 nan 8.230 nan 0.000 0.423 417 T N 2.419 116.943 114.554 -0.049 0.000 2.874 417 T HA 0.418 4.768 4.350 0.001 0.000 0.321 417 T C -0.307 174.356 174.700 -0.062 0.000 1.075 417 T CA -0.467 61.601 62.100 -0.053 0.000 0.966 417 T CB 0.384 69.218 68.868 -0.057 0.000 1.001 417 T HN 0.061 nan 8.240 nan 0.000 0.476 418 L N 3.866 125.060 121.223 -0.050 0.000 2.416 418 L HA 0.263 4.604 4.340 0.001 0.000 0.272 418 L C 0.569 177.390 176.870 -0.082 0.000 1.161 418 L CA 0.485 55.298 54.840 -0.045 0.000 0.845 418 L CB 0.351 42.399 42.059 -0.018 0.000 1.119 418 L HN 0.494 nan 8.230 nan 0.000 0.464 419 Q N 5.169 124.889 119.800 -0.133 0.000 2.363 419 Q HA 0.427 4.768 4.340 0.001 0.000 0.265 419 Q C -1.032 174.926 176.000 -0.070 0.000 1.032 419 Q CA -0.057 55.588 55.803 -0.264 0.000 0.746 419 Q CB 1.818 30.108 28.738 -0.746 0.000 1.237 419 Q HN 0.584 nan 8.270 nan 0.000 0.475 420 M N 4.112 123.780 119.600 0.113 0.000 2.072 420 M HA 0.365 4.846 4.480 0.001 0.000 0.331 420 M C -2.365 174.052 176.300 0.196 0.000 1.004 420 M CA -1.751 53.635 55.300 0.144 0.000 0.952 420 M CB 1.604 34.259 32.600 0.093 0.000 1.511 420 M HN 0.034 nan 8.290 nan 0.000 0.422 421 P HA -0.006 nan 4.420 nan 0.000 0.269 421 P C -0.791 176.439 177.300 -0.116 0.000 1.215 421 P CA 0.232 63.119 63.100 -0.354 0.000 0.780 421 P CB 0.202 31.351 31.700 -0.919 0.000 0.898 422 Y N -1.475 118.730 120.300 -0.158 0.000 2.610 422 Y HA 0.441 4.992 4.550 0.001 0.000 0.254 422 Y C 0.248 176.160 175.900 0.020 0.000 1.110 422 Y CA -0.432 57.637 58.100 -0.052 0.000 1.238 422 Y CB -0.149 38.269 38.460 -0.070 0.000 1.322 422 Y HN 0.191 nan 8.280 nan 0.000 0.547 423 Q N 1.363 121.000 119.800 -0.272 0.000 2.195 423 Q HA 0.542 4.882 4.340 0.001 0.000 0.250 423 Q C -0.448 175.682 176.000 0.217 0.000 0.988 423 Q CA -1.169 54.603 55.803 -0.051 0.000 0.911 423 Q CB 2.133 30.771 28.738 -0.166 0.000 1.258 423 Q HN 0.247 nan 8.270 nan 0.000 0.475 424 L N 0.962 122.285 121.223 0.166 0.000 2.499 424 L HA 0.082 4.423 4.340 0.001 0.000 0.281 424 L C -0.322 176.636 176.870 0.147 0.000 1.234 424 L CA 0.312 55.245 54.840 0.155 0.000 0.839 424 L CB -0.087 42.020 42.059 0.080 0.000 1.104 424 L HN 0.485 nan 8.230 nan 0.000 0.500 425 F N 3.971 123.842 119.950 -0.132 0.000 2.434 425 F HA 0.592 5.120 4.527 0.001 0.000 0.355 425 F C -0.488 175.162 175.800 -0.249 0.000 1.115 425 F CA -0.500 57.258 58.000 -0.403 0.000 1.010 425 F CB 0.659 39.328 39.000 -0.553 0.000 1.234 425 F HN 0.145 nan 8.300 nan 0.000 0.439 426 I N 5.090 125.288 120.570 -0.619 0.000 2.478 426 I HA 0.392 4.562 4.170 0.001 0.000 0.287 426 I C 0.593 176.374 176.117 -0.560 0.000 1.042 426 I CA -0.963 60.068 61.300 -0.448 0.000 1.067 426 I CB 1.968 39.834 38.000 -0.223 0.000 1.233 426 I HN 0.785 nan 8.210 nan 0.000 0.431 427 G N 4.174 112.679 108.800 -0.492 0.000 2.305 427 G HA2 -0.101 3.860 3.960 0.001 0.000 0.287 427 G HA3 -0.101 3.860 3.960 0.001 0.000 0.287 427 G C 0.959 175.579 174.900 -0.466 0.000 1.036 427 G CA 0.677 45.550 45.100 -0.379 0.000 0.887 427 G HN 1.620 nan 8.290 nan 0.000 0.505 428 G N -1.327 106.991 108.800 -0.804 0.000 2.159 428 G HA2 -0.041 3.919 3.960 0.001 0.000 0.256 428 G HA3 -0.041 3.919 3.960 0.001 0.000 0.256 428 G C 0.101 174.668 174.900 -0.556 0.000 0.977 428 G CA 1.299 46.020 45.100 -0.631 0.000 0.652 428 G HN 2.042 nan 8.290 nan 0.000 0.531 429 E N -0.711 119.047 120.200 -0.738 0.000 2.317 429 E HA 0.689 5.040 4.350 0.001 0.000 0.270 429 E C -1.029 175.329 176.600 -0.404 0.000 0.885 429 E CA -1.431 54.746 56.400 -0.371 0.000 0.760 429 E CB 1.286 30.876 29.700 -0.184 0.000 1.227 429 E HN 0.043 nan 8.360 nan 0.000 0.434 430 F N 1.514 121.457 119.950 -0.012 0.000 2.420 430 F HA 0.336 4.864 4.527 0.001 0.000 0.352 430 F C 0.247 175.992 175.800 -0.092 0.000 1.108 430 F CA -0.315 57.677 58.000 -0.013 0.000 1.162 430 F CB 1.575 40.534 39.000 -0.068 0.000 1.118 430 F HN 0.361 nan 8.300 nan 0.000 0.510 431 V N -0.139 119.819 119.914 0.072 0.000 2.971 431 V HA 0.531 4.652 4.120 0.001 0.000 0.309 431 V C -0.697 175.414 176.094 0.028 0.000 1.130 431 V CA -1.211 61.099 62.300 0.017 0.000 0.964 431 V CB 1.750 33.558 31.823 -0.024 0.000 1.029 431 V HN 0.441 nan 8.190 nan 0.000 0.427 432 D N 2.067 122.484 120.400 0.028 0.000 2.378 432 D HA 0.535 5.176 4.640 0.001 0.000 0.238 432 D C 0.649 176.979 176.300 0.051 0.000 1.180 432 D CA 0.818 54.849 54.000 0.053 0.000 0.895 432 D CB 1.552 42.387 40.800 0.059 0.000 1.192 432 D HN 1.144 nan 8.370 nan 0.000 0.438 433 A N 1.072 123.934 122.820 0.070 0.000 2.327 433 A HA 0.098 4.419 4.320 0.001 0.000 0.255 433 A C 0.559 178.173 177.584 0.050 0.000 1.099 433 A CA -0.367 51.708 52.037 0.063 0.000 0.801 433 A CB 0.080 19.130 19.000 0.084 0.000 1.062 433 A HN 0.611 nan 8.150 nan 0.000 0.496 434 E N -0.231 119.994 120.200 0.041 0.000 2.529 434 E HA 0.246 4.597 4.350 0.001 0.000 0.259 434 E C 1.216 177.839 176.600 0.038 0.000 0.966 434 E CA 1.056 57.476 56.400 0.034 0.000 0.937 434 E CB -0.089 29.628 29.700 0.029 0.000 0.923 434 E HN 1.496 nan 8.360 nan 0.000 0.468 435 G N 3.404 112.224 108.800 0.033 0.000 2.166 435 G HA2 -0.386 3.575 3.960 0.001 0.000 0.260 435 G HA3 -0.386 3.575 3.960 0.001 0.000 0.260 435 G C 0.520 175.445 174.900 0.041 0.000 0.986 435 G CA 0.531 45.651 45.100 0.033 0.000 0.683 435 G HN 0.854 nan 8.290 nan 0.000 0.527 436 S N -1.193 114.536 115.700 0.048 0.000 3.533 436 S HA -0.220 4.251 4.470 0.001 0.000 0.347 436 S C 0.883 175.524 174.600 0.069 0.000 1.101 436 S CA 1.938 60.174 58.200 0.061 0.000 1.009 436 S CB -0.686 62.547 63.200 0.055 0.000 0.916 436 S HN 1.034 nan 8.310 nan 0.000 0.496 437 K N 1.777 122.220 120.400 0.072 0.000 2.436 437 K HA 0.324 4.644 4.320 0.001 0.000 0.275 437 K C 0.852 177.521 176.600 0.115 0.000 0.999 437 K CA 0.690 57.027 56.287 0.083 0.000 0.980 437 K CB 0.427 32.974 32.500 0.077 0.000 0.919 437 K HN 0.519 nan 8.250 nan 0.000 0.484 438 T N -0.700 113.926 114.554 0.120 0.000 2.838 438 T HA 0.589 4.940 4.350 0.001 0.000 0.292 438 T C -1.146 173.678 174.700 0.206 0.000 1.113 438 T CA -0.962 61.221 62.100 0.137 0.000 1.008 438 T CB 0.964 69.864 68.868 0.053 0.000 1.259 438 T HN 0.633 nan 8.240 nan 0.000 0.520 439 Y N -0.986 119.334 120.300 0.034 0.000 2.615 439 Y HA 0.766 5.316 4.550 0.001 0.000 0.341 439 Y C -1.207 174.702 175.900 0.015 0.000 1.089 439 Y CA -1.411 56.700 58.100 0.018 0.000 1.049 439 Y CB 0.988 39.456 38.460 0.013 0.000 1.296 439 Y HN 0.552 nan 8.280 nan 0.000 0.470 440 N N 1.105 119.823 118.700 0.029 0.000 2.455 440 N HA 0.250 4.991 4.740 0.001 0.000 0.280 440 N C -0.978 174.507 175.510 -0.042 0.000 1.055 440 N CA -0.324 52.686 53.050 -0.066 0.000 0.961 440 N CB 1.800 40.293 38.487 0.011 0.000 1.121 440 N HN 0.764 nan 8.380 nan 0.000 0.476 441 T N 2.694 117.172 114.554 -0.127 0.000 2.799 441 T HA 0.463 4.814 4.350 0.001 0.000 0.286 441 T C -0.195 174.514 174.700 0.014 0.000 0.973 441 T CA -0.645 61.439 62.100 -0.026 0.000 1.035 441 T CB 0.143 68.978 68.868 -0.054 0.000 0.932 441 T HN 0.175 nan 8.240 nan 0.000 0.469 442 I N 5.160 125.764 120.570 0.057 0.000 2.377 442 I HA 0.330 4.501 4.170 0.001 0.000 0.293 442 I C 0.493 176.672 176.117 0.102 0.000 0.987 442 I CA -1.108 60.248 61.300 0.092 0.000 1.185 442 I CB 1.281 39.372 38.000 0.151 0.000 1.341 442 I HN 0.619 nan 8.210 nan 0.000 0.455 443 N N 9.192 127.937 118.700 0.076 0.000 2.405 443 N HA 0.163 4.904 4.740 0.001 0.000 0.260 443 N C -1.735 173.805 175.510 0.050 0.000 1.152 443 N CA -1.646 51.431 53.050 0.046 0.000 0.948 443 N CB 1.302 39.794 38.487 0.009 0.000 1.111 443 N HN 0.313 nan 8.380 nan 0.000 0.485 444 P HA -0.003 nan 4.420 nan 0.000 0.237 444 P C 0.710 177.868 177.300 -0.237 0.000 1.178 444 P CA 0.691 63.823 63.100 0.054 0.000 0.766 444 P CB 0.342 32.109 31.700 0.112 0.000 0.876 445 T N 0.520 114.993 114.554 -0.136 0.000 2.942 445 T HA -0.062 4.289 4.350 0.001 0.000 0.265 445 T C 0.973 175.672 174.700 -0.000 0.000 1.062 445 T CA 1.825 63.917 62.100 -0.013 0.000 1.139 445 T CB -0.282 68.616 68.868 0.050 0.000 0.883 445 T HN 0.353 nan 8.240 nan 0.000 0.468 446 D N -1.575 118.749 120.400 -0.128 0.000 2.497 446 D HA 0.235 4.876 4.640 0.001 0.000 0.256 446 D C 1.255 177.431 176.300 -0.207 0.000 1.273 446 D CA 0.561 54.476 54.000 -0.141 0.000 0.812 446 D CB -0.474 40.289 40.800 -0.063 0.000 1.190 446 D HN 0.296 nan 8.370 nan 0.000 0.524 447 G N 0.781 109.418 108.800 -0.273 0.000 2.179 447 G HA2 -0.279 3.682 3.960 0.001 0.000 0.260 447 G HA3 -0.279 3.682 3.960 0.001 0.000 0.260 447 G C 0.438 175.363 174.900 0.041 0.000 0.977 447 G CA 0.546 45.582 45.100 -0.106 0.000 0.641 447 G HN 0.977 nan 8.290 nan 0.000 0.533 448 S N -0.806 114.895 115.700 0.002 0.000 2.603 448 S HA 0.620 5.091 4.470 0.001 0.000 0.268 448 S C 0.471 175.087 174.600 0.027 0.000 1.317 448 S CA -0.227 57.980 58.200 0.013 0.000 1.012 448 S CB 2.234 65.429 63.200 -0.008 0.000 0.926 448 S HN 1.019 nan 8.310 nan 0.000 0.539 449 V N 3.492 123.416 119.914 0.016 0.000 2.470 449 V HA 0.103 4.224 4.120 0.001 0.000 0.276 449 V C 1.299 177.384 176.094 -0.015 0.000 1.040 449 V CA -0.114 62.188 62.300 0.003 0.000 1.008 449 V CB -0.193 31.625 31.823 -0.008 0.000 0.990 449 V HN 0.903 nan 8.190 nan 0.000 0.477 450 I N 4.152 124.712 120.570 -0.017 0.000 2.193 450 I HA -0.019 4.152 4.170 0.001 0.000 0.240 450 I C 1.032 177.117 176.117 -0.053 0.000 1.084 450 I CA 1.375 62.659 61.300 -0.026 0.000 1.365 450 I CB 0.019 38.011 38.000 -0.014 0.000 1.064 450 I HN 0.867 nan 8.210 nan 0.000 0.410 451 C N -2.062 117.191 119.300 -0.078 0.000 3.216 451 C HA 0.524 4.985 4.460 0.001 0.000 0.346 451 C C -1.248 173.644 174.990 -0.164 0.000 1.384 451 C CA -1.296 57.646 59.018 -0.128 0.000 1.208 451 C CB 0.937 28.592 27.740 -0.142 0.000 1.483 451 C HN 0.183 nan 8.230 nan 0.000 0.453 452 Q N 0.591 120.265 119.800 -0.210 0.000 2.259 452 Q HA 0.750 5.091 4.340 0.001 0.000 0.249 452 Q C -0.417 175.462 176.000 -0.201 0.000 0.914 452 Q CA -0.187 55.489 55.803 -0.212 0.000 0.904 452 Q CB 1.540 30.178 28.738 -0.167 0.000 1.213 452 Q HN 0.662 nan 8.270 nan 0.000 0.428 453 V N 1.426 121.165 119.914 -0.292 0.000 2.735 453 V HA 0.400 4.521 4.120 0.001 0.000 0.310 453 V C -0.331 175.737 176.094 -0.044 0.000 1.061 453 V CA -0.988 61.203 62.300 -0.183 0.000 0.913 453 V CB 2.294 33.856 31.823 -0.435 0.000 1.005 453 V HN 0.810 nan 8.190 nan 0.000 0.428 454 S N 3.479 119.267 115.700 0.147 0.000 2.558 454 S HA 0.221 4.692 4.470 0.001 0.000 0.288 454 S C -0.260 174.502 174.600 0.269 0.000 1.318 454 S CA -0.018 58.292 58.200 0.184 0.000 1.056 454 S CB 0.255 63.549 63.200 0.158 0.000 0.853 454 S HN 0.546 nan 8.310 nan 0.000 0.505 455 L N 3.945 125.318 121.223 0.250 0.000 2.297 455 L HA 0.551 4.892 4.340 0.001 0.000 0.277 455 L C 0.244 177.194 176.870 0.133 0.000 1.040 455 L CA -0.262 54.725 54.840 0.246 0.000 0.867 455 L CB 0.037 42.233 42.059 0.228 0.000 1.244 455 L HN 0.718 nan 8.230 nan 0.000 0.433 456 A N 4.186 127.077 122.820 0.118 0.000 2.546 456 A HA 0.373 4.694 4.320 0.001 0.000 0.243 456 A C 0.110 177.727 177.584 0.055 0.000 1.063 456 A CA -0.008 52.077 52.037 0.080 0.000 0.757 456 A CB 0.012 19.057 19.000 0.076 0.000 0.991 456 A HN 0.710 nan 8.150 nan 0.000 0.503 457 Q N 1.362 121.190 119.800 0.048 0.000 2.240 457 Q HA 0.352 4.693 4.340 0.001 0.000 0.260 457 Q C 1.531 177.552 176.000 0.035 0.000 1.018 457 Q CA -0.760 55.065 55.803 0.037 0.000 0.898 457 Q CB 1.075 29.834 28.738 0.035 0.000 1.301 457 Q HN 0.439 nan 8.270 nan 0.000 0.469 458 V N 0.953 120.886 119.914 0.031 0.000 2.324 458 V HA -0.298 3.823 4.120 0.001 0.000 0.250 458 V C 2.223 178.342 176.094 0.041 0.000 1.060 458 V CA 2.581 64.903 62.300 0.036 0.000 1.042 458 V CB -0.945 30.895 31.823 0.028 0.000 0.650 458 V HN 0.896 nan 8.190 nan 0.000 0.450 459 S N -0.248 115.472 115.700 0.033 0.000 2.399 459 S HA -0.235 4.236 4.470 0.001 0.000 0.231 459 S C 1.623 176.242 174.600 0.031 0.000 1.022 459 S CA 1.564 59.783 58.200 0.031 0.000 0.983 459 S CB -0.496 62.717 63.200 0.023 0.000 0.803 459 S HN 0.644 nan 8.310 nan 0.000 0.480 460 D N 1.538 121.955 120.400 0.029 0.000 2.149 460 D HA -0.007 4.634 4.640 0.001 0.000 0.201 460 D C 2.188 178.501 176.300 0.021 0.000 0.972 460 D CA 1.062 55.076 54.000 0.022 0.000 0.835 460 D CB -0.394 40.424 40.800 0.030 0.000 0.966 460 D HN 0.372 nan 8.370 nan 0.000 0.476 461 V N 1.990 121.926 119.914 0.036 0.000 2.295 461 V HA -0.223 3.897 4.120 0.001 0.000 0.246 461 V C 1.956 178.073 176.094 0.039 0.000 1.049 461 V CA 1.740 64.062 62.300 0.038 0.000 1.024 461 V CB -0.464 31.395 31.823 0.061 0.000 0.648 461 V HN 0.032 nan 8.190 nan 0.000 0.447 462 D N 0.100 120.551 120.400 0.084 0.000 2.123 462 D HA -0.159 4.482 4.640 0.001 0.000 0.196 462 D C 2.246 178.575 176.300 0.049 0.000 0.992 462 D CA 1.263 55.340 54.000 0.127 0.000 0.833 462 D CB -0.228 40.653 40.800 0.135 0.000 0.954 462 D HN 0.436 nan 8.370 nan 0.000 0.455 463 K N 0.514 120.925 120.400 0.017 0.000 2.057 463 K HA -0.040 4.281 4.320 0.001 0.000 0.207 463 K C 2.137 178.710 176.600 -0.045 0.000 1.049 463 K CA 1.116 57.395 56.287 -0.014 0.000 0.931 463 K CB -0.058 32.428 32.500 -0.023 0.000 0.714 463 K HN 0.029 nan 8.250 nan 0.000 0.440 464 A N 0.958 123.748 122.820 -0.051 0.000 1.877 464 A HA -0.125 4.196 4.320 0.001 0.000 0.216 464 A C 2.364 179.891 177.584 -0.094 0.000 1.186 464 A CA 1.449 53.441 52.037 -0.074 0.000 0.620 464 A CB -0.705 18.265 19.000 -0.050 0.000 0.822 464 A HN 0.067 nan 8.150 nan 0.000 0.443 465 V N 0.002 119.838 119.914 -0.131 0.000 2.343 465 V HA -0.267 3.854 4.120 0.001 0.000 0.247 465 V C 3.049 179.060 176.094 -0.138 0.000 1.051 465 V CA 1.977 64.143 62.300 -0.224 0.000 1.036 465 V CB -1.330 30.144 31.823 -0.583 0.000 0.654 465 V HN 0.620 nan 8.190 nan 0.000 0.451 466 A N 0.034 122.809 122.820 -0.074 0.000 1.902 466 A HA -0.125 4.196 4.320 0.001 0.000 0.217 466 A C 2.433 180.001 177.584 -0.026 0.000 1.181 466 A CA 2.148 54.173 52.037 -0.021 0.000 0.623 466 A CB -0.781 18.222 19.000 0.006 0.000 0.818 466 A HN 0.579 nan 8.150 nan 0.000 0.443 467 A N -0.225 122.564 122.820 -0.052 0.000 1.902 467 A HA 0.176 4.497 4.320 0.001 0.000 0.217 467 A C 2.495 180.051 177.584 -0.047 0.000 1.181 467 A CA 2.063 54.061 52.037 -0.064 0.000 0.623 467 A CB -0.963 17.970 19.000 -0.112 0.000 0.818 467 A HN 1.042 nan 8.150 nan 0.000 0.443 468 A N -0.301 122.488 122.820 -0.052 0.000 1.930 468 A HA -0.129 4.192 4.320 0.001 0.000 0.217 468 A C 2.125 179.734 177.584 0.042 0.000 1.175 468 A CA 1.911 53.932 52.037 -0.027 0.000 0.627 468 A CB -0.431 18.535 19.000 -0.056 0.000 0.815 468 A HN 0.554 nan 8.150 nan 0.000 0.443 469 K N -0.282 120.135 120.400 0.029 0.000 2.026 469 K HA -0.241 4.079 4.320 0.001 0.000 0.208 469 K C 2.064 178.747 176.600 0.137 0.000 1.048 469 K CA 1.867 58.209 56.287 0.092 0.000 0.929 469 K CB -0.154 32.379 32.500 0.053 0.000 0.713 469 K HN 0.410 nan 8.250 nan 0.000 0.439 470 E N 0.550 120.795 120.200 0.075 0.000 2.077 470 E HA -0.157 4.194 4.350 0.001 0.000 0.193 470 E C 1.645 178.291 176.600 0.078 0.000 0.989 470 E CA 1.677 58.114 56.400 0.063 0.000 0.800 470 E CB -0.318 29.397 29.700 0.025 0.000 0.746 470 E HN 0.391 nan 8.360 nan 0.000 0.452 471 A N -0.210 122.656 122.820 0.078 0.000 1.940 471 A HA -0.145 4.175 4.320 0.001 0.000 0.219 471 A C 2.207 179.903 177.584 0.187 0.000 1.176 471 A CA 1.547 53.640 52.037 0.093 0.000 0.631 471 A CB -0.934 18.087 19.000 0.035 0.000 0.814 471 A HN 0.482 nan 8.150 nan 0.000 0.446 472 F N 0.589 120.587 119.950 0.080 0.000 2.128 472 F HA -0.036 4.492 4.527 0.001 0.000 0.295 472 F C 2.218 178.078 175.800 0.101 0.000 1.100 472 F CA 1.983 60.061 58.000 0.130 0.000 1.260 472 F CB -0.199 38.864 39.000 0.104 0.000 1.009 472 F HN 0.324 nan 8.300 nan 0.000 0.476 473 E N -0.496 119.753 120.200 0.082 0.000 2.112 473 E HA -0.106 4.245 4.350 0.001 0.000 0.190 473 E C 1.174 177.740 176.600 -0.057 0.000 0.979 473 E CA 1.072 57.454 56.400 -0.029 0.000 0.814 473 E CB -0.019 29.741 29.700 0.101 0.000 0.762 473 E HN 0.426 nan 8.360 nan 0.000 0.460 474 N N -0.439 118.257 118.700 -0.007 0.000 2.239 474 N HA 0.057 4.798 4.740 0.001 0.000 0.208 474 N C 0.559 176.073 175.510 0.006 0.000 1.200 474 N CA 0.273 53.320 53.050 -0.005 0.000 0.895 474 N CB 0.942 39.435 38.487 0.010 0.000 1.085 474 N HN -0.022 nan 8.380 nan 0.000 0.500 475 G N 0.916 109.734 108.800 0.031 0.000 2.616 475 G HA2 0.261 4.221 3.960 0.001 0.000 0.268 475 G HA3 0.261 4.221 3.960 0.001 0.000 0.268 475 G C 1.049 175.992 174.900 0.072 0.000 1.213 475 G CA -0.441 44.692 45.100 0.055 0.000 0.926 475 G HN 0.054 nan 8.290 nan 0.000 0.523 476 L N -0.212 121.067 121.223 0.095 0.000 2.127 476 L HA -0.063 4.278 4.340 0.001 0.000 0.211 476 L C 2.269 179.232 176.870 0.155 0.000 1.089 476 L CA 1.584 56.485 54.840 0.102 0.000 0.757 476 L CB -0.535 41.590 42.059 0.110 0.000 0.899 476 L HN 0.778 nan 8.230 nan 0.000 0.434 477 W N 0.076 121.374 121.300 -0.003 0.000 2.342 477 W HA -0.184 4.476 4.660 0.001 0.000 0.297 477 W C 1.792 178.299 176.519 -0.021 0.000 1.213 477 W CA 1.267 58.620 57.345 0.013 0.000 1.251 477 W CB -0.237 29.253 29.460 0.050 0.000 1.136 477 W HN 0.388 nan 8.180 nan 0.000 0.526 478 G N -0.025 108.803 108.800 0.047 0.000 2.813 478 G HA2 -0.135 3.826 3.960 0.001 0.000 0.209 478 G HA3 -0.135 3.826 3.960 0.001 0.000 0.209 478 G C 1.416 176.222 174.900 -0.156 0.000 1.150 478 G CA 0.309 45.308 45.100 -0.168 0.000 0.785 478 G HN 0.229 nan 8.290 nan 0.000 0.535 479 K N -0.368 119.975 120.400 -0.095 0.000 2.399 479 K HA 0.262 4.583 4.320 0.001 0.000 0.196 479 K C 1.155 177.708 176.600 -0.078 0.000 1.117 479 K CA -0.271 55.971 56.287 -0.076 0.000 0.965 479 K CB 0.406 32.882 32.500 -0.040 0.000 0.983 479 K HN 0.461 nan 8.250 nan 0.000 0.531 480 I N 0.498 121.012 120.570 -0.093 0.000 3.004 480 I HA 0.092 4.263 4.170 0.001 0.000 0.287 480 I C -0.203 175.842 176.117 -0.119 0.000 1.144 480 I CA -0.731 60.515 61.300 -0.091 0.000 1.353 480 I CB 0.326 38.274 38.000 -0.086 0.000 1.417 480 I HN -0.076 nan 8.210 nan 0.000 0.602 481 N N 2.672 121.322 118.700 -0.083 0.000 2.416 481 N HA 0.075 4.816 4.740 0.001 0.000 0.246 481 N C 0.998 176.447 175.510 -0.102 0.000 1.260 481 N CA 0.509 53.516 53.050 -0.073 0.000 0.897 481 N CB 1.188 39.651 38.487 -0.039 0.000 1.110 481 N HN 0.848 nan 8.380 nan 0.000 0.439 482 A N 2.691 125.462 122.820 -0.083 0.000 1.917 482 A HA -0.238 4.083 4.320 0.001 0.000 0.219 482 A C 2.165 179.719 177.584 -0.050 0.000 1.182 482 A CA 1.750 53.739 52.037 -0.080 0.000 0.633 482 A CB -0.445 18.536 19.000 -0.031 0.000 0.819 482 A HN 0.779 nan 8.150 nan 0.000 0.448 483 R N -0.516 119.974 120.500 -0.017 0.000 2.105 483 R HA -0.172 4.169 4.340 0.001 0.000 0.239 483 R C 1.247 177.563 176.300 0.027 0.000 1.135 483 R CA 1.909 58.020 56.100 0.018 0.000 0.967 483 R CB -0.263 30.048 30.300 0.020 0.000 0.861 483 R HN 0.511 nan 8.270 nan 0.000 0.442 484 D N -0.427 119.968 120.400 -0.008 0.000 2.194 484 D HA -0.124 4.517 4.640 0.001 0.000 0.204 484 D C 1.789 178.078 176.300 -0.019 0.000 0.964 484 D CA 0.606 54.607 54.000 0.003 0.000 0.846 484 D CB -0.228 40.566 40.800 -0.010 0.000 0.962 484 D HN 0.252 nan 8.370 nan 0.000 0.490 485 R N 0.877 121.297 120.500 -0.133 0.000 2.083 485 R HA -0.131 4.210 4.340 0.001 0.000 0.237 485 R C 2.251 178.535 176.300 -0.027 0.000 1.137 485 R CA 1.803 57.750 56.100 -0.255 0.000 0.951 485 R CB -0.547 29.444 30.300 -0.514 0.000 0.851 485 R HN 0.174 nan 8.270 nan 0.000 0.434 486 G N 0.953 109.757 108.800 0.006 0.000 2.446 486 G HA2 -0.263 3.698 3.960 0.001 0.000 0.217 486 G HA3 -0.263 3.698 3.960 0.001 0.000 0.217 486 G C 1.420 176.423 174.900 0.172 0.000 1.168 486 G CA 0.368 45.493 45.100 0.041 0.000 0.771 486 G HN 0.235 nan 8.290 nan 0.000 0.551 487 R N 0.061 120.704 120.500 0.238 0.000 2.103 487 R HA 0.005 4.346 4.340 0.001 0.000 0.242 487 R C 2.665 179.115 176.300 0.250 0.000 1.142 487 R CA 0.834 57.107 56.100 0.289 0.000 0.960 487 R CB -0.923 29.474 30.300 0.161 0.000 0.858 487 R HN 0.411 nan 8.270 nan 0.000 0.439 488 L N 0.422 121.767 121.223 0.203 0.000 2.093 488 L HA -0.141 4.200 4.340 0.001 0.000 0.208 488 L C 2.474 179.478 176.870 0.223 0.000 1.085 488 L CA 0.964 55.936 54.840 0.220 0.000 0.755 488 L CB -0.392 41.850 42.059 0.305 0.000 0.904 488 L HN 0.132 nan 8.230 nan 0.000 0.435 489 L N -1.884 119.484 121.223 0.240 0.000 2.093 489 L HA -0.221 4.120 4.340 0.001 0.000 0.208 489 L C 2.497 179.480 176.870 0.189 0.000 1.085 489 L CA 1.315 56.298 54.840 0.239 0.000 0.755 489 L CB -0.596 41.626 42.059 0.272 0.000 0.904 489 L HN 0.171 nan 8.230 nan 0.000 0.435 490 Y N -0.060 120.349 120.300 0.183 0.000 2.145 490 Y HA -0.315 4.236 4.550 0.001 0.000 0.286 490 Y C 2.953 178.916 175.900 0.105 0.000 1.145 490 Y CA 1.417 59.602 58.100 0.141 0.000 1.148 490 Y CB -0.164 38.355 38.460 0.098 0.000 0.981 490 Y HN 0.067 nan 8.280 nan 0.000 0.507 491 R N 0.246 120.900 120.500 0.256 0.000 2.091 491 R HA -0.209 4.132 4.340 0.001 0.000 0.238 491 R C 2.141 178.492 176.300 0.085 0.000 1.136 491 R CA 1.434 57.622 56.100 0.146 0.000 0.959 491 R CB -0.605 29.764 30.300 0.116 0.000 0.856 491 R HN 0.311 nan 8.270 nan 0.000 0.437 492 L N 0.615 121.866 121.223 0.046 0.000 2.012 492 L HA -0.117 4.224 4.340 0.001 0.000 0.210 492 L C 2.224 179.052 176.870 -0.070 0.000 1.073 492 L CA 2.282 57.067 54.840 -0.092 0.000 0.748 492 L CB -0.975 40.952 42.059 -0.220 0.000 0.891 492 L HN 0.305 nan 8.230 nan 0.000 0.431 493 A N -0.965 121.885 122.820 0.050 0.000 1.908 493 A HA -0.235 4.086 4.320 0.001 0.000 0.218 493 A C 2.007 179.671 177.584 0.134 0.000 1.181 493 A CA 1.909 54.031 52.037 0.142 0.000 0.627 493 A CB -0.858 18.307 19.000 0.275 0.000 0.818 493 A HN 0.540 nan 8.150 nan 0.000 0.445 494 D N -0.336 120.143 120.400 0.132 0.000 2.117 494 D HA -0.105 4.536 4.640 0.001 0.000 0.197 494 D C 2.055 178.419 176.300 0.106 0.000 0.987 494 D CA 1.443 55.511 54.000 0.113 0.000 0.829 494 D CB -0.428 40.433 40.800 0.102 0.000 0.961 494 D HN 0.217 nan 8.370 nan 0.000 0.460 495 V N 0.796 120.760 119.914 0.084 0.000 2.358 495 V HA -0.239 3.882 4.120 0.001 0.000 0.246 495 V C 2.484 178.673 176.094 0.159 0.000 1.047 495 V CA 1.316 63.681 62.300 0.108 0.000 1.035 495 V CB -0.392 31.432 31.823 0.001 0.000 0.658 495 V HN 0.200 nan 8.190 nan 0.000 0.452 496 M N -0.406 119.240 119.600 0.077 0.000 2.108 496 M HA -0.240 4.241 4.480 0.001 0.000 0.261 496 M C 2.267 178.665 176.300 0.164 0.000 1.066 496 M CA 2.165 57.532 55.300 0.111 0.000 1.107 496 M CB -0.503 32.161 32.600 0.107 0.000 1.356 496 M HN 0.375 nan 8.290 nan 0.000 0.406 497 E N 0.402 120.688 120.200 0.144 0.000 2.077 497 E HA -0.244 4.107 4.350 0.001 0.000 0.193 497 E C 1.939 178.605 176.600 0.110 0.000 0.989 497 E CA 1.332 57.806 56.400 0.124 0.000 0.800 497 E CB 0.043 29.808 29.700 0.110 0.000 0.746 497 E HN 0.548 nan 8.360 nan 0.000 0.452 498 Q N -0.836 119.036 119.800 0.120 0.000 2.234 498 Q HA -0.167 4.174 4.340 0.001 0.000 0.206 498 Q C 0.860 176.829 176.000 -0.050 0.000 0.980 498 Q CA 1.384 57.211 55.803 0.041 0.000 0.869 498 Q CB -0.017 28.747 28.738 0.043 0.000 0.912 498 Q HN 0.431 nan 8.270 nan 0.000 0.436 499 H N -0.497 118.596 119.070 0.037 0.000 2.487 499 H HA 0.051 4.608 4.556 0.001 0.000 0.290 499 H C 1.392 176.755 175.328 0.059 0.000 1.081 499 H CA -0.032 56.039 56.048 0.038 0.000 1.116 499 H CB 0.263 30.042 29.762 0.029 0.000 1.560 499 H HN 0.323 nan 8.280 nan 0.000 0.548 500 Q N 0.382 120.269 119.800 0.145 0.000 2.119 500 Q HA -0.161 4.180 4.340 0.001 0.000 0.201 500 Q C 0.833 176.908 176.000 0.124 0.000 0.972 500 Q CA 1.594 57.472 55.803 0.126 0.000 0.847 500 Q CB 0.062 28.858 28.738 0.097 0.000 0.903 500 Q HN 0.332 nan 8.270 nan 0.000 0.433 501 E N 1.547 121.827 120.200 0.134 0.000 2.072 501 E HA -0.188 4.163 4.350 0.001 0.000 0.191 501 E C 1.836 178.567 176.600 0.219 0.000 0.985 501 E CA 1.455 57.986 56.400 0.218 0.000 0.801 501 E CB -0.085 29.728 29.700 0.187 0.000 0.750 501 E HN 0.571 nan 8.360 nan 0.000 0.452 502 E N 0.532 120.816 120.200 0.140 0.000 2.051 502 E HA -0.197 4.154 4.350 0.001 0.000 0.192 502 E C 1.958 178.639 176.600 0.135 0.000 0.991 502 E CA 0.944 57.416 56.400 0.120 0.000 0.799 502 E CB -0.093 29.672 29.700 0.108 0.000 0.748 502 E HN 0.196 nan 8.360 nan 0.000 0.449 503 L N 0.389 121.700 121.223 0.147 0.000 2.042 503 L HA -0.194 4.147 4.340 0.001 0.000 0.210 503 L C 2.676 179.617 176.870 0.119 0.000 1.076 503 L CA 1.222 56.140 54.840 0.130 0.000 0.749 503 L CB -0.472 41.669 42.059 0.138 0.000 0.893 503 L HN 0.234 nan 8.230 nan 0.000 0.432 504 A N -0.666 122.229 122.820 0.125 0.000 1.933 504 A HA -0.182 4.138 4.320 0.001 0.000 0.218 504 A C 2.352 180.062 177.584 0.211 0.000 1.175 504 A CA 2.228 54.314 52.037 0.081 0.000 0.628 504 A CB -0.827 18.106 19.000 -0.112 0.000 0.814 504 A HN 0.406 nan 8.150 nan 0.000 0.444 505 T N 0.355 115.083 114.554 0.290 0.000 2.777 505 T HA -0.061 4.290 4.350 0.001 0.000 0.266 505 T C 1.788 176.547 174.700 0.097 0.000 1.040 505 T CA 1.431 63.647 62.100 0.192 0.000 1.141 505 T CB -0.394 68.524 68.868 0.084 0.000 0.868 505 T HN 0.437 nan 8.240 nan 0.000 0.444 506 I N 0.872 121.494 120.570 0.087 0.000 2.208 506 I HA -0.171 4.000 4.170 0.001 0.000 0.245 506 I C 2.716 178.865 176.117 0.054 0.000 1.097 506 I CA 1.317 62.656 61.300 0.064 0.000 1.363 506 I CB -0.311 37.731 38.000 0.071 0.000 1.051 506 I HN 0.200 nan 8.210 nan 0.000 0.413 507 E N 1.093 121.324 120.200 0.052 0.000 2.106 507 E HA -0.172 4.179 4.350 0.001 0.000 0.192 507 E C 2.155 178.739 176.600 -0.026 0.000 0.984 507 E CA 1.368 57.777 56.400 0.015 0.000 0.806 507 E CB -0.099 29.593 29.700 -0.015 0.000 0.750 507 E HN 0.439 nan 8.360 nan 0.000 0.458 508 A N 0.317 123.134 122.820 -0.005 0.000 1.902 508 A HA -0.156 4.165 4.320 0.001 0.000 0.217 508 A C 2.207 179.789 177.584 -0.004 0.000 1.181 508 A CA 1.344 53.377 52.037 -0.006 0.000 0.623 508 A CB -0.695 18.346 19.000 0.069 0.000 0.818 508 A HN 0.312 nan 8.150 nan 0.000 0.443 509 L N -1.024 120.207 121.223 0.013 0.000 2.056 509 L HA -0.159 4.181 4.340 0.001 0.000 0.207 509 L C 2.319 179.199 176.870 0.016 0.000 1.078 509 L CA 1.776 56.622 54.840 0.010 0.000 0.749 509 L CB -0.458 41.609 42.059 0.013 0.000 0.901 509 L HN 0.351 nan 8.230 nan 0.000 0.433 510 D N -0.688 119.728 120.400 0.027 0.000 2.240 510 D HA -0.013 4.628 4.640 0.001 0.000 0.206 510 D C 1.715 178.046 176.300 0.051 0.000 0.963 510 D CA 1.092 55.117 54.000 0.043 0.000 0.863 510 D CB 0.381 41.215 40.800 0.056 0.000 0.973 510 D HN 0.206 nan 8.370 nan 0.000 0.501 511 A N -1.330 121.513 122.820 0.037 0.000 2.419 511 A HA 0.549 4.870 4.320 0.001 0.000 0.233 511 A C 1.623 179.206 177.584 -0.002 0.000 1.217 511 A CA 0.734 52.803 52.037 0.052 0.000 0.944 511 A CB 0.241 19.288 19.000 0.078 0.000 1.025 511 A HN 0.265 nan 8.150 nan 0.000 0.524 512 G N -0.870 107.904 108.800 -0.044 0.000 2.148 512 G HA2 0.070 4.031 3.960 0.001 0.000 0.254 512 G HA3 0.070 4.031 3.960 0.001 0.000 0.254 512 G C 0.470 175.290 174.900 -0.134 0.000 0.981 512 G CA 0.343 45.380 45.100 -0.105 0.000 0.670 512 G HN 1.661 nan 8.290 nan 0.000 0.528 513 A N 0.140 122.868 122.820 -0.153 0.000 2.492 513 A HA 0.601 4.922 4.320 0.001 0.000 0.254 513 A C 0.991 178.469 177.584 -0.177 0.000 1.091 513 A CA 0.316 52.198 52.037 -0.259 0.000 0.768 513 A CB 0.624 19.261 19.000 -0.605 0.000 1.028 513 A HN 1.280 nan 8.150 nan 0.000 0.498 514 V N 4.338 124.169 119.914 -0.139 0.000 2.557 514 V HA -0.158 3.963 4.120 0.001 0.000 0.301 514 V C 1.377 177.452 176.094 -0.031 0.000 1.026 514 V CA 0.834 63.104 62.300 -0.050 0.000 1.137 514 V CB -0.621 31.179 31.823 -0.038 0.000 0.917 514 V HN 0.990 nan 8.190 nan 0.000 0.484 515 Y N 4.892 125.154 120.300 -0.064 0.000 2.128 515 Y HA -0.311 4.240 4.550 0.001 0.000 0.284 515 Y C 2.601 178.490 175.900 -0.019 0.000 1.154 515 Y CA 2.512 60.583 58.100 -0.047 0.000 1.149 515 Y CB -0.358 38.087 38.460 -0.025 0.000 0.976 515 Y HN 0.853 nan 8.280 nan 0.000 0.505 516 T N -0.747 113.778 114.554 -0.047 0.000 2.720 516 T HA -0.240 4.111 4.350 0.001 0.000 0.268 516 T C 2.013 176.650 174.700 -0.105 0.000 1.037 516 T CA 1.483 63.524 62.100 -0.098 0.000 1.144 516 T CB -0.901 67.989 68.868 0.037 0.000 0.864 516 T HN 0.402 nan 8.240 nan 0.000 0.444 517 L N 1.187 122.375 121.223 -0.059 0.000 2.056 517 L HA 0.120 4.461 4.340 0.001 0.000 0.207 517 L C 2.942 179.833 176.870 0.036 0.000 1.078 517 L CA 1.999 56.842 54.840 0.006 0.000 0.749 517 L CB -1.460 40.581 42.059 -0.029 0.000 0.901 517 L HN 0.438 nan 8.230 nan 0.000 0.433 518 A N -0.031 122.708 122.820 -0.135 0.000 1.902 518 A HA -0.210 4.111 4.320 0.001 0.000 0.217 518 A C 2.285 179.814 177.584 -0.091 0.000 1.181 518 A CA 1.393 53.322 52.037 -0.180 0.000 0.623 518 A CB -0.646 18.159 19.000 -0.326 0.000 0.818 518 A HN 0.472 nan 8.150 nan 0.000 0.443 519 L N -0.748 120.312 121.223 -0.271 0.000 1.989 519 L HA -0.226 4.115 4.340 0.001 0.000 0.211 519 L C 2.734 179.580 176.870 -0.041 0.000 1.071 519 L CA 2.342 57.051 54.840 -0.218 0.000 0.749 519 L CB -0.343 41.495 42.059 -0.368 0.000 0.890 519 L HN 0.572 nan 8.230 nan 0.000 0.431 520 K N -1.589 118.808 120.400 -0.006 0.000 2.076 520 K HA -0.101 4.220 4.320 0.001 0.000 0.204 520 K C 1.697 178.364 176.600 0.111 0.000 1.051 520 K CA 1.665 57.987 56.287 0.058 0.000 0.949 520 K CB 0.181 32.722 32.500 0.068 0.000 0.726 520 K HN 0.208 nan 8.250 nan 0.000 0.443 521 T N -0.629 114.029 114.554 0.172 0.000 3.146 521 T HA 0.051 4.402 4.350 0.001 0.000 0.235 521 T C 1.414 176.218 174.700 0.173 0.000 0.985 521 T CA 0.582 62.801 62.100 0.199 0.000 1.265 521 T CB -0.498 68.564 68.868 0.325 0.000 0.946 521 T HN 0.223 nan 8.240 nan 0.000 0.418 522 H N 0.769 119.903 119.070 0.107 0.000 2.319 522 H HA -0.018 4.539 4.556 0.001 0.000 0.297 522 H C 2.172 177.539 175.328 0.065 0.000 1.097 522 H CA 1.575 57.681 56.048 0.097 0.000 1.285 522 H CB -0.591 29.234 29.762 0.105 0.000 1.368 522 H HN 0.100 nan 8.280 nan 0.000 0.495 523 V N -0.708 119.326 119.914 0.201 0.000 2.492 523 V HA 0.016 4.137 4.120 0.001 0.000 0.241 523 V C 2.641 178.819 176.094 0.140 0.000 1.041 523 V CA 1.360 63.749 62.300 0.148 0.000 1.057 523 V CB -0.926 30.962 31.823 0.108 0.000 0.711 523 V HN 0.603 nan 8.190 nan 0.000 0.468 524 G N -0.349 108.522 108.800 0.117 0.000 2.476 524 G HA2 -0.360 3.600 3.960 0.001 0.000 0.218 524 G HA3 -0.360 3.600 3.960 0.001 0.000 0.218 524 G C 1.672 176.648 174.900 0.127 0.000 1.164 524 G CA 1.430 46.596 45.100 0.110 0.000 0.768 524 G HN 0.397 nan 8.290 nan 0.000 0.560 525 M N 0.669 120.345 119.600 0.126 0.000 2.229 525 M HA -0.032 4.449 4.480 0.001 0.000 0.264 525 M C 2.682 179.099 176.300 0.195 0.000 1.063 525 M CA 1.288 56.673 55.300 0.141 0.000 1.114 525 M CB 0.010 32.692 32.600 0.138 0.000 1.387 525 M HN 0.243 nan 8.290 nan 0.000 0.420 526 S N 0.970 116.789 115.700 0.198 0.000 2.368 526 S HA -0.128 4.342 4.470 0.001 0.000 0.225 526 S C 1.655 176.475 174.600 0.367 0.000 1.030 526 S CA 1.414 59.773 58.200 0.266 0.000 0.999 526 S CB -0.437 62.901 63.200 0.231 0.000 0.844 526 S HN 0.493 nan 8.310 nan 0.000 0.459 527 I N 1.624 122.368 120.570 0.290 0.000 2.179 527 I HA -0.244 3.927 4.170 0.001 0.000 0.242 527 I C 2.718 179.004 176.117 0.282 0.000 1.088 527 I CA 1.238 62.713 61.300 0.293 0.000 1.357 527 I CB -0.441 37.682 38.000 0.205 0.000 1.051 527 I HN 0.316 nan 8.210 nan 0.000 0.409 528 Q N 0.068 119.993 119.800 0.209 0.000 2.135 528 Q HA -0.202 4.139 4.340 0.001 0.000 0.204 528 Q C 2.254 178.366 176.000 0.186 0.000 0.981 528 Q CA 2.176 58.080 55.803 0.167 0.000 0.856 528 Q CB -0.308 28.487 28.738 0.096 0.000 0.902 528 Q HN 0.536 nan 8.270 nan 0.000 0.425 529 T N 0.488 115.163 114.554 0.201 0.000 2.708 529 T HA -0.129 4.222 4.350 0.001 0.000 0.266 529 T C 1.434 176.273 174.700 0.233 0.000 1.037 529 T CA 1.180 63.393 62.100 0.188 0.000 1.146 529 T CB -0.360 68.609 68.868 0.169 0.000 0.865 529 T HN 0.189 nan 8.240 nan 0.000 0.435 530 F N 1.345 121.458 119.950 0.272 0.000 2.171 530 F HA -0.001 4.527 4.527 0.002 0.000 0.300 530 F C 2.659 178.542 175.800 0.138 0.000 1.090 530 F CA 1.021 59.161 58.000 0.233 0.000 1.293 530 F CB -0.224 38.901 39.000 0.209 0.000 1.013 530 F HN -0.034 nan 8.300 nan 0.000 0.486 531 R N -1.243 119.441 120.500 0.307 0.000 2.075 531 R HA -0.203 4.138 4.340 0.001 0.000 0.232 531 R C 2.094 178.441 176.300 0.079 0.000 1.126 531 R CA 1.636 57.858 56.100 0.203 0.000 0.963 531 R CB -0.810 29.669 30.300 0.298 0.000 0.858 531 R HN 0.315 nan 8.270 nan 0.000 0.435 532 Y N 0.610 120.891 120.300 -0.033 0.000 2.089 532 Y HA -0.240 4.311 4.550 0.001 0.000 0.282 532 Y C 1.797 177.557 175.900 -0.232 0.000 1.139 532 Y CA 1.596 59.578 58.100 -0.198 0.000 1.123 532 Y CB -0.398 37.864 38.460 -0.331 0.000 0.980 532 Y HN -0.118 nan 8.280 nan 0.000 0.493 533 F N -0.025 119.947 119.950 0.036 0.000 2.234 533 F HA -0.056 4.472 4.527 0.001 0.000 0.299 533 F C 2.563 178.313 175.800 -0.083 0.000 1.087 533 F CA 0.993 59.005 58.000 0.019 0.000 1.340 533 F CB -1.159 37.880 39.000 0.063 0.000 1.031 533 F HN 0.170 nan 8.300 nan 0.000 0.500 534 A N 0.375 123.147 122.820 -0.080 0.000 1.917 534 A HA -0.151 4.170 4.320 0.001 0.000 0.219 534 A C 2.592 179.928 177.584 -0.414 0.000 1.182 534 A CA 1.900 53.690 52.037 -0.413 0.000 0.633 534 A CB -1.597 16.713 19.000 -1.151 0.000 0.819 534 A HN 0.400 nan 8.150 nan 0.000 0.448 535 G N -2.374 106.194 108.800 -0.388 0.000 2.448 535 G HA2 -0.217 3.744 3.960 0.001 0.000 0.219 535 G HA3 -0.217 3.744 3.960 0.001 0.000 0.219 535 G C 1.332 176.072 174.900 -0.267 0.000 1.127 535 G CA 0.734 45.701 45.100 -0.221 0.000 0.766 535 G HN 0.694 nan 8.290 nan 0.000 0.552 536 W N -0.103 121.075 121.300 -0.203 0.000 2.584 536 W HA 0.027 4.687 4.660 0.001 0.000 0.264 536 W C 2.563 179.057 176.519 -0.041 0.000 1.264 536 W CA -0.085 57.185 57.345 -0.125 0.000 1.306 536 W CB -0.138 29.274 29.460 -0.080 0.000 1.110 536 W HN 0.149 nan 8.180 nan 0.000 0.606 537 C N 0.762 120.172 119.300 0.183 0.000 2.393 537 C HA -0.248 4.212 4.460 0.001 0.000 0.276 537 C C 1.999 177.049 174.990 0.099 0.000 1.215 537 C CA 1.896 60.984 59.018 0.117 0.000 1.743 537 C CB -1.253 26.512 27.740 0.041 0.000 2.044 537 C HN 0.462 nan 8.230 nan 0.000 0.464 538 D N -0.255 120.192 120.400 0.079 0.000 2.336 538 D HA 0.009 4.649 4.640 0.001 0.000 0.228 538 D C 0.972 177.321 176.300 0.083 0.000 1.120 538 D CA 0.382 54.419 54.000 0.061 0.000 0.839 538 D CB -0.586 40.236 40.800 0.036 0.000 0.932 538 D HN 0.470 nan 8.370 nan 0.000 0.509 539 K N -0.146 120.347 120.400 0.155 0.000 2.447 539 K HA 0.297 4.617 4.320 0.001 0.000 0.205 539 K C 0.214 177.019 176.600 0.342 0.000 1.059 539 K CA -0.335 56.081 56.287 0.214 0.000 1.065 539 K CB 1.227 33.802 32.500 0.125 0.000 0.885 539 K HN 0.106 nan 8.250 nan 0.000 0.545 540 I N 2.778 123.500 120.570 0.253 0.000 2.421 540 I HA 0.004 4.175 4.170 0.001 0.000 0.291 540 I C -0.160 176.012 176.117 0.093 0.000 1.089 540 I CA 0.384 61.767 61.300 0.139 0.000 1.354 540 I CB 0.456 38.507 38.000 0.086 0.000 1.413 540 I HN 0.041 nan 8.210 nan 0.000 0.513 541 Q N 4.276 124.122 119.800 0.077 0.000 2.375 541 Q HA 0.539 4.880 4.340 0.001 0.000 0.271 541 Q C 0.171 176.195 176.000 0.041 0.000 1.074 541 Q CA -0.735 55.105 55.803 0.061 0.000 0.808 541 Q CB 2.604 31.386 28.738 0.072 0.000 1.327 541 Q HN 0.756 nan 8.270 nan 0.000 0.441 542 G N 0.470 109.293 108.800 0.037 0.000 2.574 542 G HA2 0.745 4.706 3.960 0.001 0.000 0.248 542 G HA3 0.745 4.706 3.960 0.001 0.000 0.248 542 G C -1.065 173.854 174.900 0.033 0.000 1.422 542 G CA -0.184 44.936 45.100 0.032 0.000 1.051 542 G HN 0.629 nan 8.290 nan 0.000 0.560 543 A N -1.284 121.556 122.820 0.033 0.000 2.469 543 A HA 0.826 5.147 4.320 0.001 0.000 0.299 543 A C -0.127 177.479 177.584 0.037 0.000 1.098 543 A CA -0.096 51.960 52.037 0.032 0.000 0.737 543 A CB 1.529 20.545 19.000 0.028 0.000 1.312 543 A HN 1.393 nan 8.150 nan 0.000 0.414 544 T N -0.780 113.793 114.554 0.032 0.000 2.829 544 T HA 0.749 5.100 4.350 0.001 0.000 0.280 544 T C -0.606 174.114 174.700 0.034 0.000 0.999 544 T CA -0.328 61.793 62.100 0.035 0.000 0.983 544 T CB 0.636 69.517 68.868 0.023 0.000 0.968 544 T HN 0.462 nan 8.240 nan 0.000 0.446 545 I N 4.052 124.647 120.570 0.042 0.000 2.466 545 I HA 0.369 4.540 4.170 0.001 0.000 0.289 545 I C -2.176 173.963 176.117 0.038 0.000 1.026 545 I CA -2.749 58.573 61.300 0.036 0.000 1.078 545 I CB 2.943 40.965 38.000 0.037 0.000 1.249 545 I HN 0.496 nan 8.210 nan 0.000 0.429 546 P HA 0.137 nan 4.420 nan 0.000 0.225 546 P C -0.195 177.119 177.300 0.023 0.000 1.813 546 P CA -0.206 62.910 63.100 0.026 0.000 1.013 546 P CB -0.438 31.273 31.700 0.019 0.000 1.961 547 I N -1.118 119.470 120.570 0.030 0.000 3.004 547 I HA 0.267 4.438 4.170 0.001 0.000 0.287 547 I C 0.211 176.338 176.117 0.016 0.000 1.144 547 I CA -0.486 60.829 61.300 0.025 0.000 1.353 547 I CB -0.478 37.542 38.000 0.035 0.000 1.417 547 I HN -0.076 nan 8.210 nan 0.000 0.602 548 N N 3.126 121.832 118.700 0.009 0.000 2.454 548 N HA 0.048 4.789 4.740 0.001 0.000 0.254 548 N C -0.201 175.306 175.510 -0.004 0.000 1.228 548 N CA -0.033 53.017 53.050 0.000 0.000 0.900 548 N CB 0.333 38.819 38.487 -0.002 0.000 1.089 548 N HN 0.467 nan 8.380 nan 0.000 0.449 549 Q N 0.628 120.418 119.800 -0.017 0.000 2.243 549 Q HA 0.375 4.716 4.340 0.001 0.000 0.252 549 Q C -0.413 175.564 176.000 -0.038 0.000 0.909 549 Q CA -0.537 55.244 55.803 -0.036 0.000 0.922 549 Q CB 1.316 30.022 28.738 -0.053 0.000 1.215 549 Q HN 0.589 nan 8.270 nan 0.000 0.427 550 A N 4.366 127.159 122.820 -0.044 0.000 3.063 550 A HA 0.112 4.432 4.320 0.001 0.000 0.263 550 A C 0.195 177.751 177.584 -0.048 0.000 1.736 550 A CA -0.375 51.640 52.037 -0.037 0.000 1.408 550 A CB -0.237 18.747 19.000 -0.028 0.000 1.108 550 A HN 0.344 nan 8.150 nan 0.000 0.621 551 R N 1.652 122.126 120.500 -0.044 0.000 2.640 551 R HA 0.112 4.453 4.340 0.001 0.000 0.270 551 R C -1.466 174.813 176.300 -0.035 0.000 1.024 551 R CA -1.504 54.569 56.100 -0.045 0.000 1.085 551 R CB -0.034 30.245 30.300 -0.035 0.000 0.963 551 R HN 0.463 nan 8.270 nan 0.000 0.426 552 P HA 0.030 nan 4.420 nan 0.000 0.249 552 P C -0.490 176.771 177.300 -0.065 0.000 1.241 552 P CA 0.190 63.265 63.100 -0.042 0.000 0.781 552 P CB 0.440 32.122 31.700 -0.029 0.000 1.088 553 N N 1.074 119.728 118.700 -0.078 0.000 2.405 553 N HA 0.283 5.023 4.740 0.001 0.000 0.269 553 N C 0.359 175.747 175.510 -0.205 0.000 1.249 553 N CA -0.330 52.645 53.050 -0.126 0.000 0.974 553 N CB 1.159 39.591 38.487 -0.091 0.000 1.204 553 N HN 0.012 nan 8.380 nan 0.000 0.565 554 R N 0.038 120.302 120.500 -0.393 0.000 2.832 554 R HA 0.462 4.803 4.340 0.001 0.000 0.271 554 R C -0.815 175.173 176.300 -0.521 0.000 0.996 554 R CA -0.677 55.084 56.100 -0.565 0.000 0.977 554 R CB 1.234 30.916 30.300 -1.029 0.000 1.168 554 R HN 0.589 nan 8.270 nan 0.000 0.482 555 N N 0.264 118.819 118.700 -0.242 0.000 2.229 555 N HA 0.445 5.186 4.740 0.001 0.000 0.298 555 N C -1.897 173.752 175.510 0.232 0.000 1.114 555 N CA -0.729 52.350 53.050 0.048 0.000 0.776 555 N CB 2.060 40.579 38.487 0.053 0.000 1.501 555 N HN 0.186 nan 8.380 nan 0.000 0.474 556 L N 0.875 122.317 121.223 0.365 0.000 2.381 556 L HA 0.679 5.020 4.340 0.001 0.000 0.274 556 L C -1.201 175.843 176.870 0.290 0.000 0.988 556 L CA -0.008 54.981 54.840 0.249 0.000 0.824 556 L CB 1.843 43.921 42.059 0.032 0.000 1.263 556 L HN 0.525 nan 8.230 nan 0.000 0.410 557 T N 6.378 121.045 114.554 0.188 0.000 2.812 557 T HA 0.743 5.094 4.350 0.001 0.000 0.282 557 T C -0.825 173.957 174.700 0.136 0.000 0.990 557 T CA -0.327 61.879 62.100 0.176 0.000 0.960 557 T CB 1.156 70.090 68.868 0.110 0.000 0.948 557 T HN 0.627 nan 8.240 nan 0.000 0.438 558 L N 0.914 122.231 121.223 0.157 0.000 2.327 558 L HA 1.019 5.359 4.340 0.001 0.000 0.258 558 L C -0.054 176.868 176.870 0.088 0.000 1.024 558 L CA -0.890 54.018 54.840 0.113 0.000 0.825 558 L CB 1.426 43.562 42.059 0.128 0.000 1.386 558 L HN 0.600 nan 8.230 nan 0.000 0.417 559 T N -1.875 112.717 114.554 0.063 0.000 2.887 559 T HA 0.657 5.008 4.350 0.001 0.000 0.288 559 T C -0.710 174.018 174.700 0.047 0.000 1.021 559 T CA -0.756 61.373 62.100 0.048 0.000 1.000 559 T CB 1.707 70.595 68.868 0.034 0.000 1.034 559 T HN 0.884 nan 8.240 nan 0.000 0.467 560 K N 1.507 121.932 120.400 0.041 0.000 2.292 560 K HA 0.388 4.708 4.320 0.001 0.000 0.257 560 K C -0.600 176.020 176.600 0.034 0.000 0.940 560 K CA -0.883 55.427 56.287 0.039 0.000 0.811 560 K CB 0.907 33.431 32.500 0.040 0.000 1.120 560 K HN 0.452 nan 8.250 nan 0.000 0.428 561 K N 3.527 123.948 120.400 0.034 0.000 2.258 561 K HA 0.212 4.533 4.320 0.001 0.000 0.284 561 K C -0.608 176.019 176.600 0.045 0.000 1.051 561 K CA -0.156 56.151 56.287 0.034 0.000 0.923 561 K CB 1.388 33.904 32.500 0.028 0.000 1.046 561 K HN 0.668 nan 8.250 nan 0.000 0.474 562 E N 2.846 123.080 120.200 0.057 0.000 2.336 562 E HA 0.372 4.723 4.350 0.001 0.000 0.267 562 E C -2.519 174.149 176.600 0.114 0.000 0.906 562 E CA -2.286 54.163 56.400 0.083 0.000 0.781 562 E CB 1.894 31.645 29.700 0.085 0.000 1.261 562 E HN 0.223 nan 8.360 nan 0.000 0.436 563 P HA -0.064 nan 4.420 nan 0.000 0.272 563 P C 0.814 178.207 177.300 0.156 0.000 1.230 563 P CA -0.165 63.062 63.100 0.212 0.000 0.788 563 P CB 0.584 32.527 31.700 0.406 0.000 0.949 564 V N -0.922 119.033 119.914 0.068 0.000 2.591 564 V HA 0.307 4.428 4.120 0.001 0.000 0.249 564 V C 1.020 177.013 176.094 -0.168 0.000 1.053 564 V CA 1.559 63.854 62.300 -0.008 0.000 1.068 564 V CB -1.527 30.296 31.823 -0.000 0.000 0.689 564 V HN 0.861 nan 8.190 nan 0.000 0.462 565 G N -0.336 108.185 108.800 -0.465 0.000 2.301 565 G HA2 -0.063 3.897 3.960 0.001 0.000 0.194 565 G HA3 -0.063 3.897 3.960 0.001 0.000 0.194 565 G C -0.603 173.884 174.900 -0.688 0.000 1.266 565 G CA -0.368 44.059 45.100 -1.121 0.000 1.210 565 G HN 0.737 nan 8.290 nan 0.000 0.524 566 V N 0.772 120.415 119.914 -0.452 0.000 2.521 566 V HA 0.416 4.537 4.120 0.001 0.000 0.286 566 V C 0.706 176.731 176.094 -0.115 0.000 1.034 566 V CA -0.015 62.152 62.300 -0.222 0.000 1.045 566 V CB 0.279 32.011 31.823 -0.151 0.000 0.974 566 V HN 0.868 nan 8.190 nan 0.000 0.480 567 C N 3.948 123.219 119.300 -0.049 0.000 2.435 567 C HA 0.846 5.307 4.460 0.001 0.000 0.333 567 C C 0.804 175.813 174.990 0.031 0.000 1.202 567 C CA -0.769 58.269 59.018 0.033 0.000 1.830 567 C CB 1.174 29.006 27.740 0.154 0.000 2.326 567 C HN 1.031 nan 8.230 nan 0.000 0.507 568 G N 1.736 110.568 108.800 0.052 0.000 2.416 568 G HA2 0.717 4.678 3.960 0.001 0.000 0.324 568 G HA3 0.717 4.678 3.960 0.001 0.000 0.324 568 G C -0.871 174.086 174.900 0.094 0.000 1.194 568 G CA -0.380 44.754 45.100 0.056 0.000 0.922 568 G HN 0.925 nan 8.290 nan 0.000 0.467 569 I N -0.117 120.505 120.570 0.086 0.000 2.545 569 I HA 0.752 4.923 4.170 0.001 0.000 0.292 569 I C -1.124 175.036 176.117 0.072 0.000 1.040 569 I CA -1.267 60.089 61.300 0.094 0.000 1.068 569 I CB 2.478 40.528 38.000 0.083 0.000 1.251 569 I HN 0.148 nan 8.210 nan 0.000 0.424 570 V N 6.613 126.572 119.914 0.074 0.000 2.384 570 V HA 0.493 4.613 4.120 0.001 0.000 0.287 570 V C -0.021 176.007 176.094 -0.109 0.000 1.020 570 V CA -0.483 61.841 62.300 0.039 0.000 0.850 570 V CB 1.547 33.489 31.823 0.198 0.000 0.987 570 V HN 0.496 nan 8.190 nan 0.000 0.436 571 I N 7.243 127.755 120.570 -0.097 0.000 2.404 571 I HA 0.524 4.695 4.170 0.001 0.000 0.293 571 I C -2.059 173.965 176.117 -0.155 0.000 0.992 571 I CA -2.627 58.590 61.300 -0.138 0.000 1.149 571 I CB 1.824 39.773 38.000 -0.084 0.000 1.315 571 I HN 0.406 nan 8.210 nan 0.000 0.446 572 P HA 0.166 nan 4.420 nan 0.000 0.279 572 P C 0.406 177.620 177.300 -0.143 0.000 1.282 572 P CA -0.225 62.702 63.100 -0.289 0.000 0.788 572 P CB 0.854 32.285 31.700 -0.447 0.000 1.139 573 W N 0.569 121.837 121.300 -0.054 0.000 3.278 573 W HA 0.049 4.710 4.660 0.001 0.000 0.308 573 W C 0.975 177.496 176.519 0.002 0.000 1.253 573 W CA 0.137 57.472 57.345 -0.017 0.000 1.759 573 W CB -1.533 27.919 29.460 -0.015 0.000 1.093 573 W HN 0.254 nan 8.180 nan 0.000 0.648 574 N N 2.154 120.750 118.700 -0.174 0.000 2.171 574 N HA -0.216 4.525 4.740 0.001 0.000 0.184 574 N C -0.320 174.989 175.510 -0.334 0.000 1.021 574 N CA 1.113 54.035 53.050 -0.213 0.000 0.854 574 N CB -1.174 37.094 38.487 -0.366 0.000 0.994 574 N HN 0.189 nan 8.380 nan 0.000 0.426 575 Y N -0.154 120.058 120.300 -0.146 0.000 2.705 575 Y HA 0.444 4.995 4.550 0.001 0.000 0.355 575 Y C -1.824 173.991 175.900 -0.142 0.000 1.039 575 Y CA -2.101 55.883 58.100 -0.193 0.000 1.233 575 Y CB 2.050 40.205 38.460 -0.507 0.000 1.103 575 Y HN -0.028 nan 8.280 nan 0.000 0.624 576 P HA -0.234 nan 4.420 nan 0.000 0.214 576 P C 1.817 179.114 177.300 -0.005 0.000 1.163 576 P CA 1.180 64.312 63.100 0.054 0.000 0.889 576 P CB 0.479 32.242 31.700 0.105 0.000 0.790 577 L N -1.830 119.416 121.223 0.039 0.000 2.109 577 L HA -0.029 4.312 4.340 0.001 0.000 0.207 577 L C 2.416 179.234 176.870 -0.087 0.000 1.086 577 L CA 1.755 56.588 54.840 -0.011 0.000 0.760 577 L CB -1.104 40.995 42.059 0.068 0.000 0.910 577 L HN -0.119 nan 8.230 nan 0.000 0.437 578 M N -1.741 117.789 119.600 -0.117 0.000 2.099 578 M HA -0.217 4.263 4.480 0.001 0.000 0.262 578 M C 2.057 177.998 176.300 -0.598 0.000 1.067 578 M CA 1.686 56.804 55.300 -0.304 0.000 1.124 578 M CB -0.014 32.325 32.600 -0.435 0.000 1.353 578 M HN 0.255 nan 8.290 nan 0.000 0.410 579 M N -0.074 119.163 119.600 -0.606 0.000 2.159 579 M HA -0.177 4.304 4.480 0.001 0.000 0.263 579 M C 2.226 178.348 176.300 -0.297 0.000 1.063 579 M CA 1.473 56.409 55.300 -0.606 0.000 1.110 579 M CB -1.530 30.805 32.600 -0.443 0.000 1.374 579 M HN 0.423 nan 8.290 nan 0.000 0.411 580 L N -0.165 120.922 121.223 -0.227 0.000 2.012 580 L HA -0.230 4.110 4.340 0.001 0.000 0.210 580 L C 2.434 179.191 176.870 -0.187 0.000 1.073 580 L CA 1.466 56.190 54.840 -0.193 0.000 0.748 580 L CB -0.229 41.687 42.059 -0.239 0.000 0.891 580 L HN 0.209 nan 8.230 nan 0.000 0.431 581 S N -0.920 114.685 115.700 -0.159 0.000 2.368 581 S HA -0.174 4.297 4.470 0.001 0.000 0.224 581 S C 1.436 175.969 174.600 -0.113 0.000 1.029 581 S CA 1.308 59.454 58.200 -0.090 0.000 0.988 581 S CB -0.492 62.779 63.200 0.118 0.000 0.838 581 S HN 0.533 nan 8.310 nan 0.000 0.462 582 W N 2.284 123.439 121.300 -0.242 0.000 2.301 582 W HA -0.127 4.533 4.660 0.001 0.000 0.325 582 W C 2.284 178.636 176.519 -0.278 0.000 1.250 582 W CA 0.871 58.087 57.345 -0.215 0.000 1.261 582 W CB -0.959 28.376 29.460 -0.208 0.000 1.157 582 W HN 0.320 nan 8.180 nan 0.000 0.473 583 K N -1.383 119.026 120.400 0.015 0.000 2.076 583 K HA -0.051 4.270 4.320 0.001 0.000 0.204 583 K C 1.915 178.361 176.600 -0.256 0.000 1.051 583 K CA 1.789 58.041 56.287 -0.058 0.000 0.949 583 K CB -0.788 31.735 32.500 0.037 0.000 0.726 583 K HN 0.037 nan 8.250 nan 0.000 0.443 584 T N 1.450 115.876 114.554 -0.214 0.000 2.777 584 T HA -0.118 4.233 4.350 0.001 0.000 0.266 584 T C 2.057 176.595 174.700 -0.269 0.000 1.040 584 T CA 1.358 63.357 62.100 -0.168 0.000 1.141 584 T CB -0.211 68.668 68.868 0.018 0.000 0.868 584 T HN 0.303 nan 8.240 nan 0.000 0.444 585 A N 1.509 123.986 122.820 -0.572 0.000 1.877 585 A HA 0.165 4.486 4.320 0.001 0.000 0.216 585 A C 2.648 179.881 177.584 -0.584 0.000 1.186 585 A CA 1.833 53.462 52.037 -0.679 0.000 0.620 585 A CB -1.137 17.310 19.000 -0.922 0.000 0.822 585 A HN 0.501 nan 8.150 nan 0.000 0.443 586 A N -1.099 121.127 122.820 -0.990 0.000 1.898 586 A HA -0.189 4.132 4.320 0.001 0.000 0.216 586 A C 2.419 179.566 177.584 -0.727 0.000 1.181 586 A CA 1.678 53.036 52.037 -1.131 0.000 0.620 586 A CB -1.445 16.912 19.000 -1.071 0.000 0.819 586 A HN 0.843 nan 8.150 nan 0.000 0.442 587 C N -0.330 118.357 119.300 -1.022 0.000 2.413 587 C HA -0.076 4.385 4.460 0.001 0.000 0.276 587 C C 2.611 177.418 174.990 -0.305 0.000 1.236 587 C CA 1.327 59.682 59.018 -1.105 0.000 1.735 587 C CB -1.502 25.636 27.740 -1.004 0.000 2.031 587 C HN 0.577 nan 8.230 nan 0.000 0.474 588 L N 1.031 122.192 121.223 -0.103 0.000 2.109 588 L HA -0.017 4.324 4.340 0.001 0.000 0.207 588 L C 3.049 180.114 176.870 0.326 0.000 1.086 588 L CA 1.447 56.445 54.840 0.265 0.000 0.760 588 L CB -0.882 41.378 42.059 0.335 0.000 0.910 588 L HN 0.448 nan 8.230 nan 0.000 0.437 589 A N 0.285 123.182 122.820 0.130 0.000 1.978 589 A HA -0.135 4.186 4.320 0.001 0.000 0.220 589 A C 2.351 179.991 177.584 0.092 0.000 1.170 589 A CA 1.651 53.767 52.037 0.132 0.000 0.636 589 A CB -0.504 18.594 19.000 0.164 0.000 0.810 589 A HN 0.398 nan 8.150 nan 0.000 0.448 590 A N -2.013 120.844 122.820 0.062 0.000 2.238 590 A HA 0.407 4.728 4.320 0.001 0.000 0.208 590 A C 1.754 179.411 177.584 0.122 0.000 1.177 590 A CA 1.222 53.308 52.037 0.082 0.000 0.804 590 A CB -0.823 18.234 19.000 0.095 0.000 0.823 590 A HN 1.872 nan 8.150 nan 0.000 0.482 591 G N -0.899 108.001 108.800 0.166 0.000 2.157 591 G HA2 -0.214 3.747 3.960 0.001 0.000 0.239 591 G HA3 -0.214 3.747 3.960 0.001 0.000 0.239 591 G C -0.002 175.214 174.900 0.525 0.000 0.982 591 G CA 0.057 45.272 45.100 0.192 0.000 0.650 591 G HN 0.494 nan 8.290 nan 0.000 0.527 592 N N 0.634 119.605 118.700 0.452 0.000 2.379 592 N HA 0.587 5.327 4.740 0.001 0.000 0.260 592 N C 0.591 176.312 175.510 0.352 0.000 1.254 592 N CA 0.806 54.048 53.050 0.319 0.000 0.958 592 N CB 0.969 39.517 38.487 0.103 0.000 1.208 592 N HN 0.562 nan 8.380 nan 0.000 0.532 593 T N -3.281 111.349 114.554 0.127 0.000 2.942 593 T HA 0.667 5.017 4.350 0.001 0.000 0.289 593 T C -0.415 174.262 174.700 -0.039 0.000 1.044 593 T CA -0.780 61.323 62.100 0.005 0.000 1.023 593 T CB 1.564 70.453 68.868 0.036 0.000 1.123 593 T HN 0.224 nan 8.240 nan 0.000 0.512 594 V N 0.764 120.647 119.914 -0.051 0.000 2.971 594 V HA 0.678 4.799 4.120 0.001 0.000 0.309 594 V C -1.462 174.625 176.094 -0.012 0.000 1.130 594 V CA -0.734 61.553 62.300 -0.023 0.000 0.964 594 V CB 2.316 34.132 31.823 -0.011 0.000 1.029 594 V HN 0.983 nan 8.190 nan 0.000 0.427 595 V N 7.230 127.142 119.914 -0.003 0.000 2.409 595 V HA 0.555 4.676 4.120 0.001 0.000 0.291 595 V C -0.193 175.924 176.094 0.037 0.000 1.020 595 V CA -0.391 61.915 62.300 0.010 0.000 0.848 595 V CB 1.457 33.269 31.823 -0.018 0.000 0.990 595 V HN 0.669 nan 8.190 nan 0.000 0.430 596 I N 4.560 125.165 120.570 0.059 0.000 2.377 596 I HA 0.500 4.671 4.170 0.001 0.000 0.293 596 I C -0.138 176.020 176.117 0.068 0.000 0.987 596 I CA -0.783 60.555 61.300 0.062 0.000 1.185 596 I CB 1.798 39.841 38.000 0.072 0.000 1.341 596 I HN 0.417 nan 8.210 nan 0.000 0.455 597 K N 9.483 129.920 120.400 0.061 0.000 2.414 597 K HA 0.457 4.778 4.320 0.001 0.000 0.251 597 K C -2.650 173.983 176.600 0.055 0.000 1.037 597 K CA -2.315 54.012 56.287 0.067 0.000 0.980 597 K CB 0.873 33.416 32.500 0.072 0.000 1.280 597 K HN 0.128 nan 8.250 nan 0.000 0.451 598 P HA 0.148 nan 4.420 nan 0.000 0.276 598 P C -0.607 176.737 177.300 0.073 0.000 1.244 598 P CA -0.534 62.604 63.100 0.062 0.000 0.801 598 P CB 0.885 32.638 31.700 0.088 0.000 1.006 599 A N 1.740 124.608 122.820 0.080 0.000 2.531 599 A HA -0.074 4.247 4.320 0.001 0.000 0.236 599 A C 1.764 179.393 177.584 0.075 0.000 1.062 599 A CA 0.158 52.256 52.037 0.103 0.000 0.760 599 A CB -0.561 18.570 19.000 0.219 0.000 0.995 599 A HN 0.706 nan 8.150 nan 0.000 0.501 600 Q N 1.404 121.203 119.800 -0.003 0.000 2.112 600 Q HA -0.194 4.147 4.340 0.001 0.000 0.206 600 Q C 1.595 177.622 176.000 0.045 0.000 0.987 600 Q CA 2.684 58.438 55.803 -0.081 0.000 0.858 600 Q CB -0.355 28.215 28.738 -0.280 0.000 0.905 600 Q HN 0.997 nan 8.270 nan 0.000 0.420 601 V N -1.975 117.894 119.914 -0.075 0.000 3.141 601 V HA 0.025 4.146 4.120 0.001 0.000 0.265 601 V C 0.905 177.013 176.094 0.023 0.000 1.126 601 V CA 1.171 63.406 62.300 -0.109 0.000 1.141 601 V CB -0.437 31.074 31.823 -0.520 0.000 0.743 601 V HN 0.440 nan 8.190 nan 0.000 0.492 602 T N -2.366 112.245 114.554 0.095 0.000 3.542 602 T HA 0.463 4.813 4.350 0.001 0.000 0.276 602 T C -1.643 173.133 174.700 0.128 0.000 1.412 602 T CA -0.624 61.548 62.100 0.120 0.000 1.664 602 T CB 1.278 70.240 68.868 0.156 0.000 0.863 602 T HN 0.354 nan 8.240 nan 0.000 0.661 603 P HA 0.200 nan 4.420 nan 0.000 0.230 603 P C 1.511 178.884 177.300 0.121 0.000 1.168 603 P CA -0.019 63.169 63.100 0.147 0.000 0.793 603 P CB 0.349 32.161 31.700 0.185 0.000 0.851 604 L N 0.286 121.570 121.223 0.100 0.000 2.056 604 L HA -0.092 4.249 4.340 0.001 0.000 0.207 604 L C 2.698 179.629 176.870 0.101 0.000 1.078 604 L CA 2.314 57.209 54.840 0.092 0.000 0.749 604 L CB -1.745 40.357 42.059 0.071 0.000 0.901 604 L HN 0.084 nan 8.230 nan 0.000 0.433 605 T N -2.446 112.168 114.554 0.101 0.000 2.867 605 T HA -0.061 4.289 4.350 0.001 0.000 0.268 605 T C 1.957 176.741 174.700 0.139 0.000 1.057 605 T CA 0.820 62.987 62.100 0.112 0.000 1.136 605 T CB -0.311 68.619 68.868 0.104 0.000 0.874 605 T HN 0.294 nan 8.240 nan 0.000 0.466 606 A N 1.866 124.760 122.820 0.124 0.000 1.902 606 A HA 0.136 4.457 4.320 0.001 0.000 0.217 606 A C 2.410 180.115 177.584 0.203 0.000 1.181 606 A CA 1.333 53.459 52.037 0.149 0.000 0.623 606 A CB -0.856 18.210 19.000 0.110 0.000 0.818 606 A HN 0.552 nan 8.150 nan 0.000 0.443 607 L N -1.277 120.048 121.223 0.170 0.000 2.156 607 L HA -0.102 4.239 4.340 0.001 0.000 0.208 607 L C 2.527 179.485 176.870 0.147 0.000 1.095 607 L CA 1.492 56.450 54.840 0.196 0.000 0.770 607 L CB -0.359 41.819 42.059 0.197 0.000 0.914 607 L HN 0.289 nan 8.230 nan 0.000 0.439 608 K N 0.729 121.194 120.400 0.108 0.000 2.057 608 K HA -0.212 4.109 4.320 0.001 0.000 0.206 608 K C 1.991 178.602 176.600 0.018 0.000 1.050 608 K CA 1.463 57.785 56.287 0.058 0.000 0.935 608 K CB -0.532 32.007 32.500 0.065 0.000 0.715 608 K HN 0.112 nan 8.250 nan 0.000 0.439 609 F N 0.840 120.749 119.950 -0.068 0.000 2.091 609 F HA -0.230 4.298 4.527 0.002 0.000 0.299 609 F C 1.838 177.506 175.800 -0.220 0.000 1.103 609 F CA 1.900 59.827 58.000 -0.122 0.000 1.228 609 F CB -0.757 38.204 39.000 -0.066 0.000 0.984 609 F HN 0.089 nan 8.300 nan 0.000 0.477 610 A N 0.034 122.661 122.820 -0.321 0.000 1.892 610 A HA -0.305 4.016 4.320 0.001 0.000 0.218 610 A C 2.287 179.347 177.584 -0.873 0.000 1.188 610 A CA 2.014 53.527 52.037 -0.874 0.000 0.631 610 A CB -1.218 17.117 19.000 -1.107 0.000 0.822 610 A HN 0.619 nan 8.150 nan 0.000 0.447 611 E N -0.161 119.858 120.200 -0.301 0.000 2.110 611 E HA -0.170 4.180 4.350 0.001 0.000 0.193 611 E C 1.904 178.365 176.600 -0.232 0.000 0.988 611 E CA 1.151 57.499 56.400 -0.087 0.000 0.804 611 E CB -0.212 29.532 29.700 0.073 0.000 0.745 611 E HN 0.668 nan 8.360 nan 0.000 0.458 612 L N 0.717 121.719 121.223 -0.368 0.000 2.201 612 L HA -0.137 4.204 4.340 0.001 0.000 0.212 612 L C 2.874 179.488 176.870 -0.426 0.000 1.105 612 L CA 1.526 56.117 54.840 -0.415 0.000 0.775 612 L CB -0.936 40.849 42.059 -0.457 0.000 0.913 612 L HN 0.336 nan 8.230 nan 0.000 0.440 613 T N -1.857 112.349 114.554 -0.580 0.000 2.788 613 T HA -0.148 4.203 4.350 0.001 0.000 0.268 613 T C 1.862 176.435 174.700 -0.213 0.000 1.044 613 T CA 0.854 62.684 62.100 -0.451 0.000 1.139 613 T CB -0.447 68.123 68.868 -0.498 0.000 0.867 613 T HN 0.233 nan 8.240 nan 0.000 0.454 614 L N 0.580 121.712 121.223 -0.151 0.000 2.017 614 L HA -0.069 4.272 4.340 0.001 0.000 0.208 614 L C 3.047 179.899 176.870 -0.030 0.000 1.073 614 L CA 1.741 56.566 54.840 -0.026 0.000 0.745 614 L CB -0.521 41.569 42.059 0.052 0.000 0.894 614 L HN 0.262 nan 8.230 nan 0.000 0.432 615 K N 0.101 120.465 120.400 -0.058 0.000 2.147 615 K HA -0.113 4.207 4.320 0.001 0.000 0.205 615 K C 1.972 178.557 176.600 -0.024 0.000 1.049 615 K CA 1.328 57.598 56.287 -0.028 0.000 0.936 615 K CB -0.199 32.278 32.500 -0.039 0.000 0.722 615 K HN 0.299 nan 8.250 nan 0.000 0.446 616 A N 0.469 123.251 122.820 -0.063 0.000 2.218 616 A HA 0.195 4.516 4.320 0.001 0.000 0.209 616 A C 1.355 178.941 177.584 0.002 0.000 1.168 616 A CA 0.740 52.756 52.037 -0.035 0.000 0.804 616 A CB -0.165 18.785 19.000 -0.083 0.000 0.834 616 A HN 0.386 nan 8.150 nan 0.000 0.482 617 G N -0.288 108.511 108.800 -0.003 0.000 2.160 617 G HA2 -0.184 3.777 3.960 0.001 0.000 0.244 617 G HA3 -0.184 3.777 3.960 0.001 0.000 0.244 617 G C -0.057 174.869 174.900 0.043 0.000 1.022 617 G CA 0.049 45.166 45.100 0.027 0.000 0.741 617 G HN 0.313 nan 8.290 nan 0.000 0.508 618 I N 1.016 121.585 120.570 -0.001 0.000 2.598 618 I HA 0.169 4.340 4.170 0.001 0.000 0.284 618 I C -1.399 174.700 176.117 -0.031 0.000 1.140 618 I CA -2.562 58.722 61.300 -0.027 0.000 1.420 618 I CB -0.137 37.770 38.000 -0.156 0.000 1.387 618 I HN -0.073 nan 8.210 nan 0.000 0.553 619 P HA -0.001 nan 4.420 nan 0.000 0.265 619 P C -0.315 176.949 177.300 -0.059 0.000 1.187 619 P CA -0.002 63.108 63.100 0.016 0.000 0.766 619 P CB 0.352 32.115 31.700 0.105 0.000 0.820 620 K N 2.050 122.419 120.400 -0.052 0.000 2.451 620 K HA 0.257 4.578 4.320 0.001 0.000 0.280 620 K C 1.332 177.857 176.600 -0.125 0.000 1.020 620 K CA 0.838 57.061 56.287 -0.106 0.000 1.008 620 K CB -0.294 32.139 32.500 -0.112 0.000 0.917 620 K HN 0.837 nan 8.250 nan 0.000 0.478 621 G N 1.129 109.822 108.800 -0.179 0.000 2.213 621 G HA2 -0.272 3.689 3.960 0.001 0.000 0.236 621 G HA3 -0.272 3.689 3.960 0.001 0.000 0.236 621 G C 0.866 175.682 174.900 -0.140 0.000 0.991 621 G CA 0.172 45.179 45.100 -0.156 0.000 0.629 621 G HN 0.407 nan 8.290 nan 0.000 0.517 622 V N -0.025 119.770 119.914 -0.199 0.000 2.427 622 V HA 0.097 4.218 4.120 0.001 0.000 0.248 622 V C 1.470 177.425 176.094 -0.231 0.000 1.051 622 V CA 1.927 64.023 62.300 -0.341 0.000 1.048 622 V CB 0.177 31.557 31.823 -0.739 0.000 0.666 622 V HN 0.349 nan 8.190 nan 0.000 0.456 623 V N 1.751 121.594 119.914 -0.118 0.000 2.487 623 V HA 0.477 4.598 4.120 0.001 0.000 0.298 623 V C -0.676 175.492 176.094 0.122 0.000 1.028 623 V CA -0.724 61.594 62.300 0.030 0.000 0.860 623 V CB 1.685 33.558 31.823 0.084 0.000 0.991 623 V HN 0.457 nan 8.190 nan 0.000 0.427 624 N N 5.349 124.109 118.700 0.101 0.000 2.249 624 N HA 0.661 5.402 4.740 0.001 0.000 0.296 624 N C -1.363 174.234 175.510 0.146 0.000 1.051 624 N CA -0.478 52.628 53.050 0.092 0.000 0.815 624 N CB 3.133 41.596 38.487 -0.040 0.000 1.487 624 N HN 0.457 nan 8.380 nan 0.000 0.475 625 I N 1.986 122.673 120.570 0.194 0.000 2.466 625 I HA 0.367 4.538 4.170 0.001 0.000 0.289 625 I C -0.619 175.582 176.117 0.140 0.000 1.026 625 I CA -0.606 60.795 61.300 0.168 0.000 1.078 625 I CB 2.113 40.229 38.000 0.193 0.000 1.249 625 I HN 0.261 nan 8.210 nan 0.000 0.429 626 L N 7.867 129.158 121.223 0.114 0.000 2.457 626 L HA 0.383 4.724 4.340 0.001 0.000 0.252 626 L C -2.342 174.601 176.870 0.121 0.000 1.132 626 L CA -1.638 53.265 54.840 0.105 0.000 0.938 626 L CB 1.070 43.172 42.059 0.072 0.000 1.246 626 L HN 0.263 nan 8.230 nan 0.000 0.476 627 P HA 0.347 nan 4.420 nan 0.000 0.269 627 P C 0.268 177.684 177.300 0.194 0.000 1.215 627 P CA 0.466 63.689 63.100 0.204 0.000 0.780 627 P CB 1.933 33.799 31.700 0.276 0.000 0.898 628 G N 0.330 109.194 108.800 0.107 0.000 2.288 628 G HA2 0.035 3.996 3.960 0.001 0.000 0.227 628 G HA3 0.035 3.996 3.960 0.001 0.000 0.227 628 G C -0.880 173.897 174.900 -0.205 0.000 1.339 628 G CA -0.181 44.866 45.100 -0.088 0.000 1.057 628 G HN 0.610 nan 8.290 nan 0.000 0.470 629 S N 0.674 116.279 115.700 -0.158 0.000 2.510 629 S HA 0.474 4.945 4.470 0.001 0.000 0.279 629 S C 1.783 176.353 174.600 -0.050 0.000 1.284 629 S CA 0.939 59.063 58.200 -0.127 0.000 1.059 629 S CB 0.720 63.863 63.200 -0.094 0.000 0.901 629 S HN 1.947 nan 8.310 nan 0.000 0.491 630 G N 3.574 112.353 108.800 -0.034 0.000 2.440 630 G HA2 -0.224 3.737 3.960 0.001 0.000 0.218 630 G HA3 -0.224 3.737 3.960 0.001 0.000 0.218 630 G C 1.730 176.649 174.900 0.031 0.000 1.154 630 G CA 1.053 46.168 45.100 0.024 0.000 0.767 630 G HN 0.973 nan 8.290 nan 0.000 0.552 631 S N 0.510 116.214 115.700 0.007 0.000 2.356 631 S HA -0.055 4.416 4.470 0.001 0.000 0.223 631 S C 2.342 176.944 174.600 0.004 0.000 1.032 631 S CA 1.256 59.457 58.200 0.002 0.000 1.005 631 S CB -0.496 62.694 63.200 -0.016 0.000 0.867 631 S HN 0.307 nan 8.310 nan 0.000 0.449 632 L N 1.193 122.415 121.223 -0.001 0.000 1.976 632 L HA -0.061 4.280 4.340 0.001 0.000 0.209 632 L C 2.554 179.437 176.870 0.022 0.000 1.071 632 L CA 1.637 56.481 54.840 0.006 0.000 0.746 632 L CB -0.399 41.661 42.059 0.001 0.000 0.890 632 L HN 0.249 nan 8.230 nan 0.000 0.432 633 V N -0.085 119.846 119.914 0.028 0.000 2.323 633 V HA -0.153 3.968 4.120 0.001 0.000 0.244 633 V C 2.621 178.747 176.094 0.053 0.000 1.041 633 V CA 1.717 64.043 62.300 0.043 0.000 1.025 633 V CB -1.360 30.491 31.823 0.047 0.000 0.656 633 V HN 0.651 nan 8.190 nan 0.000 0.451 634 G N -0.738 108.098 108.800 0.060 0.000 2.418 634 G HA2 -0.350 3.611 3.960 0.001 0.000 0.217 634 G HA3 -0.350 3.611 3.960 0.001 0.000 0.217 634 G C 1.531 176.457 174.900 0.044 0.000 1.158 634 G CA 1.156 46.299 45.100 0.072 0.000 0.771 634 G HN 0.492 nan 8.290 nan 0.000 0.545 635 Q N 0.291 120.109 119.800 0.029 0.000 2.050 635 Q HA -0.085 4.256 4.340 0.001 0.000 0.202 635 Q C 2.561 178.582 176.000 0.035 0.000 0.980 635 Q CA 1.789 57.604 55.803 0.020 0.000 0.840 635 Q CB -0.308 28.437 28.738 0.011 0.000 0.898 635 Q HN 0.347 nan 8.270 nan 0.000 0.424 636 R N -0.184 120.343 120.500 0.046 0.000 2.075 636 R HA -0.011 4.330 4.340 0.001 0.000 0.232 636 R C 2.131 178.495 176.300 0.107 0.000 1.126 636 R CA 1.472 57.614 56.100 0.069 0.000 0.963 636 R CB -0.735 29.609 30.300 0.073 0.000 0.858 636 R HN 0.441 nan 8.270 nan 0.000 0.435 637 L N 0.307 121.582 121.223 0.086 0.000 2.012 637 L HA -0.199 4.142 4.340 0.001 0.000 0.210 637 L C 2.387 179.307 176.870 0.084 0.000 1.073 637 L CA 1.893 56.782 54.840 0.080 0.000 0.748 637 L CB -0.647 41.446 42.059 0.056 0.000 0.891 637 L HN 0.383 nan 8.230 nan 0.000 0.431 638 S N -1.474 114.262 115.700 0.060 0.000 2.423 638 S HA -0.152 4.318 4.470 0.001 0.000 0.231 638 S C 1.413 176.040 174.600 0.046 0.000 1.014 638 S CA 1.187 59.412 58.200 0.042 0.000 0.965 638 S CB -0.283 62.924 63.200 0.012 0.000 0.785 638 S HN 0.373 nan 8.310 nan 0.000 0.495 639 D N 0.289 120.722 120.400 0.055 0.000 2.305 639 D HA 0.066 4.707 4.640 0.001 0.000 0.206 639 D C 0.499 176.828 176.300 0.048 0.000 0.974 639 D CA 0.416 54.438 54.000 0.036 0.000 0.871 639 D CB -0.431 40.379 40.800 0.017 0.000 0.947 639 D HN 0.476 nan 8.370 nan 0.000 0.516 640 H N 2.149 121.222 119.070 0.004 0.000 2.929 640 H HA 0.012 4.569 4.556 0.001 0.000 0.317 640 H C -1.458 173.871 175.328 0.002 0.000 1.031 640 H CA -1.043 55.008 56.048 0.004 0.000 1.466 640 H CB 1.632 31.398 29.762 0.006 0.000 1.482 640 H HN -0.067 nan 8.280 nan 0.000 0.561 641 P HA -0.098 nan 4.420 nan 0.000 0.222 641 P C 0.414 177.816 177.300 0.170 0.000 1.147 641 P CA 0.939 64.079 63.100 0.066 0.000 0.790 641 P CB 0.592 32.275 31.700 -0.029 0.000 0.780 642 D N -0.753 119.885 120.400 0.397 0.000 2.360 642 D HA 0.063 4.703 4.640 0.001 0.000 0.210 642 D C 0.487 176.820 176.300 0.054 0.000 1.047 642 D CA 0.192 54.308 54.000 0.193 0.000 0.854 642 D CB 0.572 41.478 40.800 0.177 0.000 0.936 642 D HN 0.045 nan 8.370 nan 0.000 0.514 643 V N 1.960 121.913 119.914 0.066 0.000 2.498 643 V HA 0.161 4.282 4.120 0.001 0.000 0.279 643 V C 1.297 177.396 176.094 0.008 0.000 1.048 643 V CA -0.145 62.151 62.300 -0.006 0.000 0.967 643 V CB 2.038 33.862 31.823 0.002 0.000 0.988 643 V HN -0.062 nan 8.190 nan 0.000 0.473 644 R N 2.545 123.030 120.500 -0.024 0.000 2.404 644 R HA 0.325 4.666 4.340 0.001 0.000 0.237 644 R C 0.310 176.600 176.300 -0.017 0.000 0.907 644 R CA 0.006 56.093 56.100 -0.022 0.000 1.063 644 R CB 0.456 30.726 30.300 -0.050 0.000 1.134 644 R HN 0.518 nan 8.270 nan 0.000 0.529 645 K N 1.030 121.426 120.400 -0.007 0.000 2.557 645 K HA 0.288 4.609 4.320 0.001 0.000 0.257 645 K C -1.544 175.073 176.600 0.027 0.000 0.933 645 K CA -0.458 55.826 56.287 -0.005 0.000 0.820 645 K CB 1.829 34.312 32.500 -0.028 0.000 1.330 645 K HN -0.166 nan 8.250 nan 0.000 0.432 646 I N 2.238 122.827 120.570 0.033 0.000 2.433 646 I HA 0.403 4.574 4.170 0.001 0.000 0.292 646 I C 0.537 176.702 176.117 0.080 0.000 1.001 646 I CA -0.566 60.776 61.300 0.070 0.000 1.119 646 I CB 1.517 39.560 38.000 0.071 0.000 1.289 646 I HN 0.715 nan 8.210 nan 0.000 0.438 647 G N 5.780 114.654 108.800 0.122 0.000 2.422 647 G HA2 0.571 4.532 3.960 0.001 0.000 0.317 647 G HA3 0.571 4.532 3.960 0.001 0.000 0.317 647 G C -1.580 173.426 174.900 0.177 0.000 1.210 647 G CA -0.295 44.881 45.100 0.126 0.000 0.930 647 G HN 0.379 nan 8.290 nan 0.000 0.468 648 F N 2.318 122.266 119.950 -0.002 0.000 2.529 648 F HA 0.694 5.221 4.527 0.001 0.000 0.320 648 F C -0.416 175.363 175.800 -0.035 0.000 1.118 648 F CA -0.515 57.475 58.000 -0.017 0.000 0.915 648 F CB 2.500 41.485 39.000 -0.025 0.000 1.161 648 F HN 0.357 nan 8.300 nan 0.000 0.445 649 T N 4.674 118.732 114.554 -0.826 0.000 2.841 649 T HA 0.805 5.156 4.350 0.001 0.000 0.285 649 T C -0.163 173.851 174.700 -1.144 0.000 0.991 649 T CA -0.269 61.404 62.100 -0.711 0.000 0.966 649 T CB 1.280 69.939 68.868 -0.348 0.000 0.962 649 T HN 1.100 nan 8.240 nan 0.000 0.438 650 G N 1.804 110.102 108.800 -0.837 0.000 2.392 650 G HA2 0.458 4.419 3.960 0.001 0.000 0.260 650 G HA3 0.458 4.419 3.960 0.001 0.000 0.260 650 G C -0.606 174.236 174.900 -0.096 0.000 1.226 650 G CA -0.229 44.554 45.100 -0.528 0.000 0.913 650 G HN 0.927 nan 8.290 nan 0.000 0.483 651 S N -0.486 115.272 115.700 0.097 0.000 2.592 651 S HA 0.456 4.927 4.470 0.001 0.000 0.271 651 S C 1.439 176.156 174.600 0.195 0.000 1.326 651 S CA 1.047 59.303 58.200 0.093 0.000 1.024 651 S CB 1.266 64.518 63.200 0.087 0.000 0.921 651 S HN 0.889 nan 8.310 nan 0.000 0.527 652 T N 1.806 116.452 114.554 0.153 0.000 2.684 652 T HA -0.103 4.248 4.350 0.001 0.000 0.267 652 T C 1.593 176.370 174.700 0.129 0.000 1.036 652 T CA 1.553 63.756 62.100 0.171 0.000 1.148 652 T CB -0.409 68.601 68.868 0.236 0.000 0.863 652 T HN 0.668 nan 8.240 nan 0.000 0.436 653 E N 0.688 120.968 120.200 0.133 0.000 2.072 653 E HA -0.034 4.317 4.350 0.001 0.000 0.191 653 E C 2.550 179.244 176.600 0.155 0.000 0.985 653 E CA 0.575 57.064 56.400 0.148 0.000 0.801 653 E CB -0.625 29.154 29.700 0.131 0.000 0.750 653 E HN 0.326 nan 8.360 nan 0.000 0.452 654 V N 0.918 120.888 119.914 0.092 0.000 2.343 654 V HA -0.182 3.939 4.120 0.001 0.000 0.247 654 V C 2.395 178.302 176.094 -0.311 0.000 1.051 654 V CA 1.964 64.256 62.300 -0.014 0.000 1.036 654 V CB -1.074 30.810 31.823 0.102 0.000 0.654 654 V HN 0.322 nan 8.190 nan 0.000 0.451 655 G N -0.191 108.404 108.800 -0.342 0.000 2.418 655 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 655 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 655 G C 1.645 176.370 174.900 -0.293 0.000 1.158 655 G CA 0.882 45.646 45.100 -0.560 0.000 0.771 655 G HN 0.474 nan 8.290 nan 0.000 0.545 656 K N -0.420 119.898 120.400 -0.136 0.000 2.063 656 K HA -0.135 4.186 4.320 0.001 0.000 0.208 656 K C 2.228 178.667 176.600 -0.269 0.000 1.048 656 K CA 1.520 57.707 56.287 -0.168 0.000 0.928 656 K CB -0.250 32.156 32.500 -0.157 0.000 0.713 656 K HN 0.441 nan 8.250 nan 0.000 0.442 657 H N -0.067 118.926 119.070 -0.128 0.000 2.535 657 H HA 0.075 4.632 4.556 0.001 0.000 0.273 657 H C 1.814 177.056 175.328 -0.143 0.000 0.983 657 H CA 0.462 56.444 56.048 -0.109 0.000 1.238 657 H CB 0.237 29.950 29.762 -0.082 0.000 1.412 657 H HN 0.055 nan 8.280 nan 0.000 0.562 658 I N 0.249 120.715 120.570 -0.172 0.000 2.202 658 I HA -0.269 3.902 4.170 0.001 0.000 0.242 658 I C 2.344 178.389 176.117 -0.121 0.000 1.091 658 I CA 1.372 62.546 61.300 -0.211 0.000 1.368 658 I CB -0.713 37.008 38.000 -0.465 0.000 1.058 658 I HN 0.394 nan 8.210 nan 0.000 0.410 659 M N 0.722 120.249 119.600 -0.122 0.000 2.159 659 M HA -0.265 4.216 4.480 0.001 0.000 0.263 659 M C 2.349 178.626 176.300 -0.038 0.000 1.063 659 M CA 1.805 57.081 55.300 -0.039 0.000 1.110 659 M CB -0.178 32.427 32.600 0.009 0.000 1.374 659 M HN 0.081 nan 8.290 nan 0.000 0.411 660 K N -0.452 119.903 120.400 -0.075 0.000 2.057 660 K HA -0.140 4.181 4.320 0.001 0.000 0.207 660 K C 1.662 178.247 176.600 -0.025 0.000 1.049 660 K CA 2.015 58.265 56.287 -0.062 0.000 0.931 660 K CB -0.103 32.333 32.500 -0.108 0.000 0.714 660 K HN 0.324 nan 8.250 nan 0.000 0.440 661 S N 0.547 116.238 115.700 -0.016 0.000 2.383 661 S HA -0.132 4.339 4.470 0.001 0.000 0.227 661 S C 2.146 176.746 174.600 -0.001 0.000 1.026 661 S CA 1.146 59.346 58.200 -0.001 0.000 0.981 661 S CB -0.401 62.801 63.200 0.003 0.000 0.818 661 S HN 0.438 nan 8.310 nan 0.000 0.472 662 C N 1.872 121.169 119.300 -0.004 0.000 2.413 662 C HA -0.050 4.410 4.460 0.001 0.000 0.276 662 C C 3.067 178.058 174.990 0.002 0.000 1.248 662 C CA 0.601 59.622 59.018 0.005 0.000 1.742 662 C CB -1.539 26.207 27.740 0.011 0.000 2.017 662 C HN 0.685 nan 8.230 nan 0.000 0.481 663 A N 0.236 123.054 122.820 -0.004 0.000 1.877 663 A HA -0.081 4.240 4.320 0.001 0.000 0.216 663 A C 2.050 179.630 177.584 -0.007 0.000 1.186 663 A CA 1.452 53.484 52.037 -0.008 0.000 0.620 663 A CB -0.596 18.395 19.000 -0.014 0.000 0.822 663 A HN 0.618 nan 8.150 nan 0.000 0.443 664 L N 0.405 121.624 121.223 -0.006 0.000 2.478 664 L HA -0.061 4.280 4.340 0.001 0.000 0.223 664 L C 2.643 179.511 176.870 -0.004 0.000 1.140 664 L CA 0.900 55.737 54.840 -0.005 0.000 0.842 664 L CB -0.362 41.695 42.059 -0.003 0.000 0.953 664 L HN 0.632 nan 8.230 nan 0.000 0.452 665 S N 1.064 116.764 115.700 -0.001 0.000 2.289 665 S HA -0.027 4.444 4.470 0.001 0.000 0.193 665 S C 1.170 175.770 174.600 0.000 0.000 1.002 665 S CA 0.678 58.877 58.200 -0.001 0.000 0.951 665 S CB -0.278 62.926 63.200 0.007 0.000 0.920 665 S HN 0.492 nan 8.310 nan 0.000 0.502 666 N N 0.833 119.537 118.700 0.005 0.000 2.387 666 N HA 0.117 4.858 4.740 0.001 0.000 0.259 666 N C 0.234 175.745 175.510 0.003 0.000 1.369 666 N CA 0.189 53.243 53.050 0.006 0.000 0.867 666 N CB -0.165 38.331 38.487 0.014 0.000 1.341 666 N HN 1.080 nan 8.380 nan 0.000 0.495 667 V N -1.321 118.592 119.914 -0.001 0.000 5.359 667 V HA -0.361 3.760 4.120 0.001 0.000 0.278 667 V C 0.263 176.354 176.094 -0.004 0.000 0.622 667 V CA 1.134 63.431 62.300 -0.006 0.000 0.649 667 V CB -2.766 29.050 31.823 -0.012 0.000 0.408 667 V HN 0.663 nan 8.190 nan 0.000 0.918 668 K N -0.000 120.402 120.400 0.003 0.000 2.319 668 K HA 0.438 4.759 4.320 0.001 0.000 0.265 668 K C 0.254 176.853 176.600 -0.001 0.000 1.000 668 K CA -0.579 55.710 56.287 0.002 0.000 0.943 668 K CB 0.694 33.201 32.500 0.012 0.000 0.950 668 K HN 0.590 nan 8.250 nan 0.000 0.485 669 K N 0.713 121.106 120.400 -0.011 0.000 2.319 669 K HA 0.183 4.504 4.320 0.001 0.000 0.265 669 K C -0.593 176.013 176.600 0.011 0.000 1.000 669 K CA -0.412 55.865 56.287 -0.016 0.000 0.943 669 K CB 1.175 33.647 32.500 -0.047 0.000 0.950 669 K HN 0.393 nan 8.250 nan 0.000 0.485 670 V N 1.126 121.074 119.914 0.057 0.000 2.888 670 V HA 0.404 4.525 4.120 0.001 0.000 0.309 670 V C -1.480 174.756 176.094 0.237 0.000 1.114 670 V CA -0.405 61.967 62.300 0.120 0.000 0.940 670 V CB 2.443 34.349 31.823 0.138 0.000 1.021 670 V HN 0.826 nan 8.190 nan 0.000 0.426 671 S N 6.439 122.230 115.700 0.152 0.000 2.536 671 S HA 0.831 5.302 4.470 0.001 0.000 0.298 671 S C -1.103 173.496 174.600 -0.002 0.000 1.083 671 S CA -0.650 57.635 58.200 0.143 0.000 0.995 671 S CB 1.706 64.946 63.200 0.067 0.000 1.058 671 S HN 0.682 nan 8.310 nan 0.000 0.488 672 L N 1.911 122.982 121.223 -0.254 0.000 2.436 672 L HA 0.584 4.924 4.340 0.001 0.000 0.268 672 L C -0.556 176.227 176.870 -0.146 0.000 0.974 672 L CA -0.412 54.309 54.840 -0.199 0.000 0.826 672 L CB 1.908 43.684 42.059 -0.471 0.000 1.291 672 L HN 0.561 nan 8.230 nan 0.000 0.406 673 E N 4.428 124.618 120.200 -0.017 0.000 2.220 673 E HA 0.352 4.703 4.350 0.001 0.000 0.256 673 E C -0.909 175.675 176.600 -0.027 0.000 0.881 673 E CA -0.359 56.036 56.400 -0.008 0.000 0.766 673 E CB 1.713 31.451 29.700 0.063 0.000 1.187 673 E HN 0.635 nan 8.360 nan 0.000 0.419 674 L N 3.689 124.898 121.223 -0.024 0.000 3.110 674 L HA 0.370 4.711 4.340 0.001 0.000 0.266 674 L C 0.906 177.668 176.870 -0.179 0.000 1.257 674 L CA -0.066 54.762 54.840 -0.020 0.000 1.038 674 L CB 0.207 42.318 42.059 0.086 0.000 1.395 674 L HN 0.782 nan 8.230 nan 0.000 0.566 675 G N 0.297 108.976 108.800 -0.203 0.000 2.698 675 G HA2 0.049 4.010 3.960 0.001 0.000 0.233 675 G HA3 0.049 4.010 3.960 0.001 0.000 0.233 675 G C -0.171 174.391 174.900 -0.563 0.000 1.352 675 G CA -0.418 44.497 45.100 -0.308 0.000 0.879 675 G HN 0.626 nan 8.290 nan 0.000 0.567 676 G N -1.683 106.751 108.800 -0.609 0.000 2.608 676 G HA2 0.707 4.668 3.960 0.001 0.000 0.291 676 G HA3 0.707 4.668 3.960 0.001 0.000 0.291 676 G C -1.268 173.495 174.900 -0.227 0.000 1.425 676 G CA 0.350 45.149 45.100 -0.502 0.000 0.787 676 G HN 1.157 nan 8.290 nan 0.000 0.484 677 K N 0.722 121.178 120.400 0.094 0.000 2.842 677 K HA 0.527 4.848 4.320 0.001 0.000 0.176 677 K C -0.346 176.340 176.600 0.142 0.000 1.080 677 K CA -0.381 56.008 56.287 0.171 0.000 0.954 677 K CB 0.335 33.018 32.500 0.305 0.000 1.203 677 K HN 0.357 nan 8.250 nan 0.000 0.611 678 S N 4.540 120.304 115.700 0.106 0.000 2.499 678 S HA 0.358 4.829 4.470 0.001 0.000 0.275 678 S C -2.412 172.265 174.600 0.128 0.000 1.257 678 S CA -0.985 57.288 58.200 0.122 0.000 1.050 678 S CB 0.717 64.015 63.200 0.163 0.000 0.937 678 S HN 0.443 nan 8.310 nan 0.000 0.490 679 P HA 0.360 nan 4.420 nan 0.000 0.288 679 P C -1.147 176.232 177.300 0.131 0.000 1.267 679 P CA -0.757 62.453 63.100 0.183 0.000 0.815 679 P CB 0.981 32.831 31.700 0.249 0.000 0.989 680 L N 4.584 125.841 121.223 0.057 0.000 2.343 680 L HA 0.499 4.840 4.340 0.001 0.000 0.278 680 L C -0.917 175.893 176.870 -0.100 0.000 0.996 680 L CA -0.671 54.117 54.840 -0.087 0.000 0.831 680 L CB 0.728 42.609 42.059 -0.296 0.000 1.232 680 L HN 0.229 nan 8.230 nan 0.000 0.413 681 I N 6.540 127.020 120.570 -0.150 0.000 2.312 681 I HA 0.387 4.557 4.170 0.001 0.000 0.290 681 I C -0.460 175.498 176.117 -0.265 0.000 1.008 681 I CA -0.280 60.890 61.300 -0.217 0.000 1.226 681 I CB 1.197 38.975 38.000 -0.369 0.000 1.371 681 I HN 0.502 nan 8.210 nan 0.000 0.468 682 I N 6.627 127.076 120.570 -0.201 0.000 2.354 682 I HA 0.326 4.497 4.170 0.001 0.000 0.286 682 I C -0.487 175.617 176.117 -0.022 0.000 1.007 682 I CA -0.424 60.824 61.300 -0.087 0.000 1.167 682 I CB 0.765 38.643 38.000 -0.202 0.000 1.320 682 I HN 0.332 nan 8.210 nan 0.000 0.458 683 F N 3.286 123.384 119.950 0.247 0.000 2.371 683 F HA 0.339 4.867 4.527 0.001 0.000 0.329 683 F C 1.560 177.433 175.800 0.122 0.000 1.107 683 F CA -0.114 58.026 58.000 0.233 0.000 1.137 683 F CB 1.287 40.424 39.000 0.228 0.000 1.214 683 F HN 0.523 nan 8.300 nan 0.000 0.536 684 A N 0.814 123.794 122.820 0.267 0.000 2.070 684 A HA -0.174 4.147 4.320 0.001 0.000 0.220 684 A C 1.463 179.143 177.584 0.161 0.000 1.159 684 A CA 1.694 53.820 52.037 0.148 0.000 0.656 684 A CB -0.924 18.129 19.000 0.088 0.000 0.800 684 A HN 0.768 nan 8.150 nan 0.000 0.453 685 D N -0.557 119.963 120.400 0.199 0.000 2.325 685 D HA 0.070 4.711 4.640 0.001 0.000 0.225 685 D C 0.825 177.217 176.300 0.154 0.000 1.096 685 D CA 0.182 54.267 54.000 0.141 0.000 0.844 685 D CB -1.721 39.137 40.800 0.097 0.000 0.925 685 D HN 0.513 nan 8.370 nan 0.000 0.513 686 C N -0.472 118.951 119.300 0.205 0.000 2.639 686 C HA 0.401 4.862 4.460 0.001 0.000 0.360 686 C C 0.710 175.776 174.990 0.127 0.000 1.351 686 C CA -1.196 57.937 59.018 0.192 0.000 2.408 686 C CB 0.697 28.602 27.740 0.274 0.000 2.517 686 C HN 0.259 nan 8.230 nan 0.000 0.696 687 D N 0.939 121.391 120.400 0.087 0.000 2.344 687 D HA 0.090 4.731 4.640 0.001 0.000 0.253 687 D C 0.675 177.020 176.300 0.074 0.000 1.255 687 D CA -0.197 53.837 54.000 0.056 0.000 0.894 687 D CB 0.508 41.317 40.800 0.015 0.000 1.067 687 D HN 0.646 nan 8.370 nan 0.000 0.492 688 L N 5.532 126.813 121.223 0.098 0.000 2.017 688 L HA -0.134 4.207 4.340 0.001 0.000 0.208 688 L C 1.652 178.593 176.870 0.118 0.000 1.073 688 L CA 1.573 56.499 54.840 0.143 0.000 0.745 688 L CB -0.591 41.550 42.059 0.136 0.000 0.894 688 L HN 0.387 nan 8.230 nan 0.000 0.432 689 N N -0.141 118.596 118.700 0.062 0.000 2.166 689 N HA -0.217 4.524 4.740 0.001 0.000 0.186 689 N C 1.830 177.350 175.510 0.018 0.000 1.019 689 N CA 1.223 54.291 53.050 0.032 0.000 0.856 689 N CB -0.251 38.245 38.487 0.016 0.000 0.993 689 N HN 0.430 nan 8.380 nan 0.000 0.426 690 K N 0.942 121.341 120.400 -0.002 0.000 2.097 690 K HA -0.001 4.319 4.320 0.001 0.000 0.206 690 K C 1.850 178.392 176.600 -0.097 0.000 1.049 690 K CA 1.089 57.341 56.287 -0.059 0.000 0.933 690 K CB -0.013 32.430 32.500 -0.095 0.000 0.717 690 K HN 0.077 nan 8.250 nan 0.000 0.442 691 A N 0.671 123.481 122.820 -0.016 0.000 1.933 691 A HA -0.093 4.228 4.320 0.001 0.000 0.218 691 A C 2.202 180.020 177.584 0.389 0.000 1.175 691 A CA 1.401 53.527 52.037 0.149 0.000 0.628 691 A CB -0.505 18.743 19.000 0.412 0.000 0.814 691 A HN 0.164 nan 8.150 nan 0.000 0.444 692 V N 0.009 120.061 119.914 0.230 0.000 2.295 692 V HA -0.266 3.855 4.120 0.001 0.000 0.246 692 V C 2.781 178.901 176.094 0.043 0.000 1.049 692 V CA 2.066 64.380 62.300 0.023 0.000 1.024 692 V CB -0.731 31.016 31.823 -0.126 0.000 0.648 692 V HN 0.544 nan 8.190 nan 0.000 0.447 693 Q N -0.705 119.118 119.800 0.037 0.000 2.020 693 Q HA -0.149 4.191 4.340 0.001 0.000 0.202 693 Q C 2.188 178.230 176.000 0.069 0.000 0.982 693 Q CA 1.891 57.718 55.803 0.041 0.000 0.838 693 Q CB -0.386 28.362 28.738 0.016 0.000 0.899 693 Q HN 0.592 nan 8.270 nan 0.000 0.423 694 M N -0.616 119.015 119.600 0.051 0.000 2.254 694 M HA -0.022 4.459 4.480 0.001 0.000 0.265 694 M C 2.124 178.583 176.300 0.264 0.000 1.066 694 M CA 1.261 56.623 55.300 0.102 0.000 1.123 694 M CB -0.386 32.168 32.600 -0.076 0.000 1.388 694 M HN 0.241 nan 8.290 nan 0.000 0.425 695 G N 0.389 109.419 108.800 0.382 0.000 2.418 695 G HA2 -0.189 3.771 3.960 0.001 0.000 0.217 695 G HA3 -0.189 3.771 3.960 0.001 0.000 0.217 695 G C 1.549 176.462 174.900 0.023 0.000 1.158 695 G CA 0.599 45.883 45.100 0.306 0.000 0.771 695 G HN 0.314 nan 8.290 nan 0.000 0.545 696 M N 0.656 120.269 119.600 0.023 0.000 2.086 696 M HA -0.069 4.412 4.480 0.001 0.000 0.261 696 M C 2.867 179.131 176.300 -0.061 0.000 1.067 696 M CA 1.538 56.790 55.300 -0.079 0.000 1.116 696 M CB -0.294 32.400 32.600 0.157 0.000 1.348 696 M HN 0.343 nan 8.290 nan 0.000 0.407 697 S N 0.362 116.108 115.700 0.077 0.000 2.370 697 S HA -0.171 4.300 4.470 0.001 0.000 0.226 697 S C 2.008 176.643 174.600 0.058 0.000 1.033 697 S CA 1.997 60.283 58.200 0.144 0.000 1.011 697 S CB -0.382 62.900 63.200 0.136 0.000 0.852 697 S HN 0.632 nan 8.310 nan 0.000 0.457 698 S N 0.179 115.818 115.700 -0.102 0.000 2.400 698 S HA -0.061 4.410 4.470 0.001 0.000 0.232 698 S C 1.699 176.120 174.600 -0.298 0.000 1.025 698 S CA 1.470 59.443 58.200 -0.379 0.000 0.993 698 S CB -0.574 62.067 63.200 -0.931 0.000 0.808 698 S HN 0.394 nan 8.310 nan 0.000 0.478 699 V N -0.314 119.406 119.914 -0.324 0.000 2.521 699 V HA 0.226 4.346 4.120 0.001 0.000 0.239 699 V C 1.897 177.914 176.094 -0.128 0.000 1.053 699 V CA 0.886 62.977 62.300 -0.347 0.000 1.073 699 V CB -0.701 30.706 31.823 -0.693 0.000 0.746 699 V HN 0.453 nan 8.190 nan 0.000 0.476 700 F N -0.704 119.307 119.950 0.102 0.000 2.743 700 F HA 0.280 4.808 4.527 0.001 0.000 0.297 700 F C 0.960 176.864 175.800 0.173 0.000 1.131 700 F CA -1.255 56.820 58.000 0.126 0.000 1.426 700 F CB -0.807 38.246 39.000 0.088 0.000 1.116 700 F HN 0.039 nan 8.300 nan 0.000 0.583 701 F N 2.399 122.468 119.950 0.197 0.000 2.623 701 F HA 0.004 4.532 4.527 0.001 0.000 0.383 701 F C 1.228 177.107 175.800 0.131 0.000 1.077 701 F CA -0.087 58.014 58.000 0.168 0.000 1.268 701 F CB -0.042 39.043 39.000 0.141 0.000 1.053 701 F HN 0.156 nan 8.300 nan 0.000 0.571 702 N N 4.156 122.540 118.700 -0.527 0.000 2.725 702 N HA -0.302 4.439 4.740 0.001 0.000 0.251 702 N C 0.255 175.671 175.510 -0.157 0.000 1.031 702 N CA 1.221 54.046 53.050 -0.374 0.000 0.720 702 N CB -0.521 37.728 38.487 -0.397 0.000 0.930 702 N HN 0.736 nan 8.380 nan 0.000 0.543 703 K N -2.140 118.245 120.400 -0.025 0.000 2.948 703 K HA -0.262 4.059 4.320 0.001 0.000 0.253 703 K C 0.960 177.635 176.600 0.124 0.000 0.970 703 K CA 1.939 58.287 56.287 0.101 0.000 0.716 703 K CB -2.364 30.069 32.500 -0.112 0.000 1.249 703 K HN 1.432 nan 8.250 nan 0.000 0.483 704 G N -0.337 108.521 108.800 0.097 0.000 2.184 704 G HA2 -0.351 3.610 3.960 0.001 0.000 0.264 704 G HA3 -0.351 3.610 3.960 0.001 0.000 0.264 704 G C -0.083 174.654 174.900 -0.271 0.000 0.975 704 G CA 0.669 45.774 45.100 0.008 0.000 0.642 704 G HN 0.610 nan 8.290 nan 0.000 0.536 705 E N 0.863 120.850 120.200 -0.356 0.000 1.892 705 E HA 0.336 4.686 4.350 0.001 0.000 0.271 705 E C 0.058 176.121 176.600 -0.895 0.000 1.146 705 E CA -0.176 55.745 56.400 -0.799 0.000 1.096 705 E CB -0.021 29.497 29.700 -0.304 0.000 1.155 705 E HN 0.488 nan 8.360 nan 0.000 0.458 706 N N 1.827 119.932 118.700 -0.992 0.000 2.616 706 N HA 0.022 4.763 4.740 0.001 0.000 0.281 706 N C 0.674 176.086 175.510 -0.164 0.000 1.145 706 N CA -0.524 52.380 53.050 -0.243 0.000 0.919 706 N CB 0.774 39.306 38.487 0.077 0.000 1.509 706 N HN 0.404 nan 8.380 nan 0.000 0.537 707 C N 2.677 122.052 119.300 0.125 0.000 2.419 707 C HA 0.025 4.486 4.460 0.001 0.000 0.281 707 C C 1.963 177.075 174.990 0.203 0.000 1.336 707 C CA 0.040 59.222 59.018 0.274 0.000 1.770 707 C CB -1.734 26.180 27.740 0.290 0.000 1.929 707 C HN 0.769 nan 8.230 nan 0.000 0.509 708 I N -0.206 120.518 120.570 0.256 0.000 3.875 708 I HA 0.467 4.638 4.170 0.001 0.000 0.329 708 I C 1.216 177.533 176.117 0.334 0.000 1.295 708 I CA -0.191 61.258 61.300 0.248 0.000 1.129 708 I CB -0.727 37.439 38.000 0.277 0.000 1.008 708 I HN 0.162 nan 8.210 nan 0.000 0.413 709 A N 2.119 125.069 122.820 0.217 0.000 2.587 709 A HA 0.433 4.754 4.320 0.001 0.000 0.233 709 A C 0.890 178.523 177.584 0.081 0.000 1.049 709 A CA 0.417 52.535 52.037 0.136 0.000 0.754 709 A CB -0.074 18.932 19.000 0.010 0.000 0.977 709 A HN 0.654 nan 8.150 nan 0.000 0.509 710 A N 2.330 125.067 122.820 -0.139 0.000 2.484 710 A HA 0.464 4.785 4.320 0.001 0.000 0.268 710 A C 1.330 178.856 177.584 -0.098 0.000 1.114 710 A CA 0.249 52.180 52.037 -0.176 0.000 0.780 710 A CB -0.327 18.381 19.000 -0.486 0.000 1.061 710 A HN 1.627 nan 8.150 nan 0.000 0.505 711 G N 2.377 111.167 108.800 -0.016 0.000 2.838 711 G HA2 0.243 4.204 3.960 0.001 0.000 0.210 711 G HA3 0.243 4.204 3.960 0.001 0.000 0.210 711 G C 0.670 175.556 174.900 -0.024 0.000 1.153 711 G CA -0.135 44.967 45.100 0.004 0.000 0.778 711 G HN 0.684 nan 8.290 nan 0.000 0.539 712 R N -0.622 119.835 120.500 -0.071 0.000 2.604 712 R HA 0.483 4.824 4.340 0.001 0.000 0.281 712 R C -1.926 174.228 176.300 -0.243 0.000 1.020 712 R CA -0.792 55.184 56.100 -0.206 0.000 0.899 712 R CB 2.052 32.162 30.300 -0.318 0.000 1.205 712 R HN -0.030 nan 8.270 nan 0.000 0.450 713 L N 3.396 124.443 121.223 -0.294 0.000 2.287 713 L HA 0.464 4.804 4.340 0.001 0.000 0.287 713 L C -0.934 175.732 176.870 -0.341 0.000 1.022 713 L CA -0.068 54.624 54.840 -0.247 0.000 0.814 713 L CB 0.825 42.783 42.059 -0.169 0.000 1.217 713 L HN 0.453 nan 8.230 nan 0.000 0.420 714 F N 3.429 123.323 119.950 -0.093 0.000 2.385 714 F HA 0.562 5.090 4.527 0.001 0.000 0.360 714 F C 0.095 175.952 175.800 0.095 0.000 1.122 714 F CA -0.740 57.271 58.000 0.018 0.000 1.090 714 F CB 1.314 40.252 39.000 -0.103 0.000 1.150 714 F HN 0.033 nan 8.300 nan 0.000 0.472 715 V N 2.912 122.972 119.914 0.244 0.000 2.487 715 V HA 0.236 4.357 4.120 0.001 0.000 0.298 715 V C -0.050 175.878 176.094 -0.276 0.000 1.028 715 V CA -1.218 61.060 62.300 -0.036 0.000 0.860 715 V CB 1.647 33.323 31.823 -0.244 0.000 0.991 715 V HN 0.678 nan 8.190 nan 0.000 0.427 716 E N 2.105 121.911 120.200 -0.657 0.000 2.414 716 E HA -0.028 4.323 4.350 0.001 0.000 0.263 716 E C 1.057 177.389 176.600 -0.448 0.000 1.000 716 E CA 0.056 55.790 56.400 -1.110 0.000 0.914 716 E CB 0.840 30.106 29.700 -0.723 0.000 0.948 716 E HN 0.753 nan 8.360 nan 0.000 0.444 717 E N 2.486 122.445 120.200 -0.401 0.000 2.108 717 E HA -0.299 4.052 4.350 0.001 0.000 0.203 717 E C 1.644 178.208 176.600 -0.060 0.000 1.022 717 E CA 2.465 58.765 56.400 -0.167 0.000 0.823 717 E CB -0.270 29.349 29.700 -0.135 0.000 0.744 717 E HN 0.531 nan 8.360 nan 0.000 0.456 718 S N -0.225 115.437 115.700 -0.065 0.000 2.447 718 S HA -0.144 4.327 4.470 0.001 0.000 0.233 718 S C 1.965 176.584 174.600 0.030 0.000 1.006 718 S CA 1.112 59.308 58.200 -0.005 0.000 0.957 718 S CB -0.738 62.462 63.200 -0.001 0.000 0.773 718 S HN 0.568 nan 8.310 nan 0.000 0.507 719 I N -2.652 117.936 120.570 0.030 0.000 4.082 719 I HA 0.323 4.494 4.170 0.001 0.000 0.337 719 I C 2.142 178.332 176.117 0.122 0.000 1.352 719 I CA -0.278 61.068 61.300 0.077 0.000 1.097 719 I CB -0.500 37.548 38.000 0.079 0.000 1.048 719 I HN 0.129 nan 8.210 nan 0.000 0.393 720 H N 3.109 122.184 119.070 0.009 0.000 2.289 720 H HA -0.183 4.374 4.556 0.001 0.000 0.296 720 H C 1.379 176.784 175.328 0.129 0.000 1.091 720 H CA 2.646 58.721 56.048 0.046 0.000 1.274 720 H CB 0.083 29.841 29.762 -0.008 0.000 1.364 720 H HN 0.374 nan 8.280 nan 0.000 0.490 721 N N 0.751 119.582 118.700 0.218 0.000 2.142 721 N HA -0.140 4.601 4.740 0.001 0.000 0.186 721 N C 2.167 177.718 175.510 0.068 0.000 1.023 721 N CA 0.956 54.094 53.050 0.147 0.000 0.852 721 N CB -0.550 38.029 38.487 0.155 0.000 0.998 721 N HN 0.564 nan 8.380 nan 0.000 0.424 722 Q N -0.457 119.394 119.800 0.085 0.000 2.079 722 Q HA -0.099 4.241 4.340 0.001 0.000 0.200 722 Q C 1.885 177.925 176.000 0.068 0.000 0.974 722 Q CA 0.923 56.766 55.803 0.067 0.000 0.840 722 Q CB -0.161 28.622 28.738 0.076 0.000 0.898 722 Q HN 0.346 nan 8.270 nan 0.000 0.430 723 F N 0.190 120.114 119.950 -0.044 0.000 2.069 723 F HA -0.261 4.267 4.527 0.001 0.000 0.298 723 F C 1.910 177.662 175.800 -0.080 0.000 1.113 723 F CA 1.596 59.564 58.000 -0.053 0.000 1.214 723 F CB -0.280 38.680 39.000 -0.067 0.000 0.978 723 F HN -0.099 nan 8.300 nan 0.000 0.474 724 V N 0.385 120.277 119.914 -0.037 0.000 2.343 724 V HA -0.341 3.780 4.120 0.001 0.000 0.247 724 V C 2.285 178.301 176.094 -0.130 0.000 1.051 724 V CA 2.289 64.517 62.300 -0.120 0.000 1.036 724 V CB -0.915 30.846 31.823 -0.102 0.000 0.654 724 V HN 0.412 nan 8.190 nan 0.000 0.451 725 Q N -0.183 119.569 119.800 -0.079 0.000 2.061 725 Q HA -0.251 4.090 4.340 0.001 0.000 0.204 725 Q C 2.359 178.303 176.000 -0.093 0.000 0.984 725 Q CA 1.854 57.620 55.803 -0.061 0.000 0.846 725 Q CB -0.229 28.494 28.738 -0.026 0.000 0.902 725 Q HN 0.595 nan 8.270 nan 0.000 0.421 726 K N -0.216 120.106 120.400 -0.130 0.000 2.057 726 K HA -0.102 4.219 4.320 0.001 0.000 0.206 726 K C 2.084 178.569 176.600 -0.192 0.000 1.050 726 K CA 1.164 57.365 56.287 -0.144 0.000 0.935 726 K CB -0.064 32.350 32.500 -0.143 0.000 0.715 726 K HN 0.014 nan 8.250 nan 0.000 0.439 727 V N 1.038 120.766 119.914 -0.311 0.000 2.287 727 V HA -0.243 3.877 4.120 0.001 0.000 0.248 727 V C 2.243 178.270 176.094 -0.111 0.000 1.053 727 V CA 1.576 63.723 62.300 -0.255 0.000 1.027 727 V CB -0.316 31.296 31.823 -0.352 0.000 0.646 727 V HN 0.093 nan 8.190 nan 0.000 0.447 728 V N -0.209 119.642 119.914 -0.104 0.000 2.295 728 V HA -0.301 3.820 4.120 0.001 0.000 0.246 728 V C 2.392 178.444 176.094 -0.070 0.000 1.049 728 V CA 2.214 64.471 62.300 -0.072 0.000 1.024 728 V CB -0.738 31.048 31.823 -0.062 0.000 0.648 728 V HN 0.617 nan 8.190 nan 0.000 0.447 729 E N -0.285 119.874 120.200 -0.069 0.000 2.097 729 E HA -0.243 4.108 4.350 0.001 0.000 0.196 729 E C 2.306 178.873 176.600 -0.054 0.000 1.000 729 E CA 1.502 57.868 56.400 -0.057 0.000 0.804 729 E CB -0.117 29.552 29.700 -0.051 0.000 0.740 729 E HN 0.579 nan 8.360 nan 0.000 0.454 730 E N 0.190 120.357 120.200 -0.056 0.000 2.112 730 E HA -0.079 4.271 4.350 0.001 0.000 0.190 730 E C 2.337 178.909 176.600 -0.046 0.000 0.979 730 E CA 0.412 56.789 56.400 -0.039 0.000 0.814 730 E CB -0.209 29.476 29.700 -0.025 0.000 0.762 730 E HN 0.117 nan 8.360 nan 0.000 0.460 731 V N 1.976 121.854 119.914 -0.061 0.000 2.332 731 V HA -0.257 3.864 4.120 0.001 0.000 0.248 731 V C 2.062 178.071 176.094 -0.142 0.000 1.055 731 V CA 1.895 64.117 62.300 -0.130 0.000 1.038 731 V CB -0.484 31.254 31.823 -0.142 0.000 0.651 731 V HN 0.280 nan 8.190 nan 0.000 0.450 732 E N -0.260 119.878 120.200 -0.103 0.000 2.265 732 E HA -0.220 4.131 4.350 0.001 0.000 0.196 732 E C 2.018 178.571 176.600 -0.078 0.000 0.996 732 E CA 0.903 57.247 56.400 -0.093 0.000 0.832 732 E CB -0.107 29.549 29.700 -0.073 0.000 0.756 732 E HN 0.608 nan 8.360 nan 0.000 0.491 733 K N 0.007 120.367 120.400 -0.066 0.000 2.400 733 K HA 0.111 4.431 4.320 0.001 0.000 0.194 733 K C 0.481 177.053 176.600 -0.046 0.000 1.033 733 K CA 0.046 56.305 56.287 -0.047 0.000 1.021 733 K CB 0.186 32.668 32.500 -0.031 0.000 0.808 733 K HN 0.089 nan 8.250 nan 0.000 0.505 734 M N 1.892 121.449 119.600 -0.072 0.000 2.238 734 M HA 0.014 4.495 4.480 0.001 0.000 0.350 734 M C 0.071 176.344 176.300 -0.044 0.000 1.321 734 M CA 0.080 55.341 55.300 -0.065 0.000 1.097 734 M CB 0.364 32.878 32.600 -0.143 0.000 1.713 734 M HN -0.272 nan 8.290 nan 0.000 0.455 735 K N 4.977 125.374 120.400 -0.004 0.000 2.263 735 K HA 0.429 4.750 4.320 0.001 0.000 0.282 735 K C -1.170 175.457 176.600 0.045 0.000 1.089 735 K CA 0.025 56.314 56.287 0.004 0.000 0.907 735 K CB 0.129 32.633 32.500 0.007 0.000 1.148 735 K HN 0.574 nan 8.250 nan 0.000 0.470 736 I N 3.842 124.430 120.570 0.031 0.000 2.395 736 I HA 0.541 4.712 4.170 0.001 0.000 0.289 736 I C 0.830 176.941 176.117 -0.010 0.000 1.023 736 I CA -0.005 61.350 61.300 0.091 0.000 1.350 736 I CB 1.330 39.380 38.000 0.083 0.000 1.409 736 I HN 0.831 nan 8.210 nan 0.000 0.507 737 G N 4.861 113.701 108.800 0.067 0.000 2.321 737 G HA2 0.005 3.965 3.960 0.001 0.000 0.296 737 G HA3 0.005 3.965 3.960 0.001 0.000 0.296 737 G C -1.423 173.588 174.900 0.184 0.000 1.287 737 G CA -0.805 44.279 45.100 -0.026 0.000 0.846 737 G HN 0.507 nan 8.290 nan 0.000 0.508 738 N N 1.502 120.261 118.700 0.099 0.000 2.411 738 N HA 0.109 4.850 4.740 0.001 0.000 0.261 738 N C -0.888 174.685 175.510 0.105 0.000 1.248 738 N CA -0.939 52.195 53.050 0.140 0.000 0.885 738 N CB 1.629 40.145 38.487 0.048 0.000 1.062 738 N HN 0.129 nan 8.380 nan 0.000 0.471 739 P HA -0.104 nan 4.420 nan 0.000 0.225 739 P C 1.222 178.563 177.300 0.069 0.000 1.148 739 P CA 0.986 64.119 63.100 0.055 0.000 0.779 739 P CB 0.328 32.032 31.700 0.008 0.000 0.780 740 L N -0.977 120.268 121.223 0.038 0.000 2.492 740 L HA 0.076 4.417 4.340 0.001 0.000 0.223 740 L C 1.162 178.022 176.870 -0.016 0.000 1.132 740 L CA 0.381 55.215 54.840 -0.011 0.000 0.850 740 L CB -0.444 41.575 42.059 -0.067 0.000 0.966 740 L HN -0.097 nan 8.230 nan 0.000 0.454 741 E N 0.726 120.934 120.200 0.013 0.000 2.259 741 E HA 0.075 4.426 4.350 0.001 0.000 0.281 741 E C 0.605 177.226 176.600 0.035 0.000 1.037 741 E CA -0.281 56.125 56.400 0.010 0.000 0.854 741 E CB 1.210 30.913 29.700 0.005 0.000 1.051 741 E HN 0.012 nan 8.360 nan 0.000 0.409 742 R N 1.941 122.461 120.500 0.033 0.000 2.152 742 R HA -0.127 4.213 4.340 0.001 0.000 0.232 742 R C 1.052 177.381 176.300 0.049 0.000 1.117 742 R CA 1.052 57.186 56.100 0.057 0.000 0.981 742 R CB -0.276 30.054 30.300 0.049 0.000 0.870 742 R HN 0.557 nan 8.270 nan 0.000 0.451 743 D N -1.171 119.248 120.400 0.032 0.000 2.349 743 D HA -0.031 4.610 4.640 0.001 0.000 0.215 743 D C -0.109 176.210 176.300 0.033 0.000 1.016 743 D CA 0.058 54.074 54.000 0.027 0.000 0.870 743 D CB -0.445 40.362 40.800 0.012 0.000 0.917 743 D HN -0.194 nan 8.370 nan 0.000 0.524 744 T N 0.973 115.552 114.554 0.041 0.000 2.853 744 T HA 0.089 4.440 4.350 0.001 0.000 0.298 744 T C 0.766 175.502 174.700 0.060 0.000 0.978 744 T CA 0.035 62.167 62.100 0.053 0.000 1.152 744 T CB 0.712 69.618 68.868 0.064 0.000 0.914 744 T HN 0.153 nan 8.240 nan 0.000 0.539 745 N N 0.909 119.653 118.700 0.073 0.000 2.454 745 N HA 0.041 4.782 4.740 0.001 0.000 0.177 745 N C 0.075 175.662 175.510 0.128 0.000 1.049 745 N CA 0.098 53.198 53.050 0.084 0.000 0.887 745 N CB 0.367 38.897 38.487 0.073 0.000 1.095 745 N HN 0.603 nan 8.380 nan 0.000 0.446 746 H N -0.031 119.056 119.070 0.028 0.000 2.906 746 H HA 0.515 5.072 4.556 0.001 0.000 0.324 746 H C -0.215 175.181 175.328 0.113 0.000 0.973 746 H CA -0.728 55.343 56.048 0.038 0.000 1.321 746 H CB 0.682 30.447 29.762 0.006 0.000 1.535 746 H HN 0.088 nan 8.280 nan 0.000 0.518 747 G N 3.997 112.625 108.800 -0.287 0.000 2.537 747 G HA2 0.380 4.341 3.960 0.001 0.000 0.297 747 G HA3 0.380 4.341 3.960 0.001 0.000 0.297 747 G C -2.516 172.068 174.900 -0.526 0.000 1.310 747 G CA -1.707 43.261 45.100 -0.219 0.000 1.027 747 G HN 0.538 nan 8.290 nan 0.000 0.505 748 P HA 0.151 nan 4.420 nan 0.000 0.276 748 P C -0.600 176.424 177.300 -0.460 0.000 1.244 748 P CA -0.425 61.980 63.100 -1.157 0.000 0.801 748 P CB 0.902 31.744 31.700 -1.430 0.000 1.006 749 Q N 1.242 120.896 119.800 -0.242 0.000 2.524 749 Q HA 0.005 4.346 4.340 0.001 0.000 0.246 749 Q C 1.356 177.336 176.000 -0.035 0.000 1.063 749 Q CA 0.088 55.859 55.803 -0.053 0.000 0.945 749 Q CB -0.085 28.655 28.738 0.003 0.000 1.292 749 Q HN 0.529 nan 8.270 nan 0.000 0.518 750 N N 0.730 119.431 118.700 0.002 0.000 2.120 750 N HA -0.130 4.611 4.740 0.001 0.000 0.188 750 N C -0.032 175.489 175.510 0.018 0.000 1.024 750 N CA 1.144 54.204 53.050 0.018 0.000 0.852 750 N CB 0.415 38.957 38.487 0.090 0.000 1.003 750 N HN 0.708 nan 8.380 nan 0.000 0.424 751 H N -2.825 116.116 119.070 -0.215 0.000 2.981 751 H HA 0.167 4.724 4.556 0.001 0.000 0.327 751 H C 0.293 175.297 175.328 -0.539 0.000 1.342 751 H CA -0.583 55.266 56.048 -0.332 0.000 1.123 751 H CB 0.960 30.488 29.762 -0.391 0.000 1.851 751 H HN -0.098 nan 8.280 nan 0.000 0.531 752 E N 0.986 120.669 120.200 -0.861 0.000 2.077 752 E HA -0.095 4.256 4.350 0.001 0.000 0.193 752 E C 1.997 178.314 176.600 -0.473 0.000 0.989 752 E CA 1.546 57.298 56.400 -1.079 0.000 0.800 752 E CB -0.123 28.895 29.700 -1.136 0.000 0.746 752 E HN 0.625 nan 8.360 nan 0.000 0.452 753 A N 0.249 122.914 122.820 -0.257 0.000 1.940 753 A HA -0.243 4.078 4.320 0.001 0.000 0.219 753 A C 1.967 179.449 177.584 -0.171 0.000 1.176 753 A CA 1.971 53.933 52.037 -0.125 0.000 0.631 753 A CB -0.852 18.155 19.000 0.012 0.000 0.814 753 A HN 0.461 nan 8.150 nan 0.000 0.446 754 H N -0.593 118.143 119.070 -0.557 0.000 2.357 754 H HA -0.035 4.521 4.556 0.001 0.000 0.301 754 H C 1.770 176.910 175.328 -0.313 0.000 1.082 754 H CA 1.590 57.339 56.048 -0.499 0.000 1.342 754 H CB -0.353 28.880 29.762 -0.881 0.000 1.389 754 H HN 0.307 nan 8.280 nan 0.000 0.511 755 L N 0.835 121.823 121.223 -0.391 0.000 2.013 755 L HA -0.190 4.151 4.340 0.001 0.000 0.212 755 L C 2.293 179.051 176.870 -0.186 0.000 1.073 755 L CA 1.826 56.505 54.840 -0.269 0.000 0.753 755 L CB -0.500 41.518 42.059 -0.068 0.000 0.890 755 L HN 0.195 nan 8.230 nan 0.000 0.432 756 R N -0.543 119.875 120.500 -0.136 0.000 2.091 756 R HA -0.146 4.195 4.340 0.001 0.000 0.238 756 R C 2.242 178.516 176.300 -0.044 0.000 1.136 756 R CA 1.405 57.474 56.100 -0.052 0.000 0.959 756 R CB -0.451 29.825 30.300 -0.041 0.000 0.856 756 R HN 0.351 nan 8.270 nan 0.000 0.437 757 K N 0.907 121.257 120.400 -0.083 0.000 2.097 757 K HA -0.096 4.225 4.320 0.001 0.000 0.206 757 K C 2.184 178.753 176.600 -0.051 0.000 1.049 757 K CA 1.070 57.345 56.287 -0.021 0.000 0.933 757 K CB -0.246 32.272 32.500 0.031 0.000 0.717 757 K HN 0.242 nan 8.250 nan 0.000 0.442 758 L N 0.592 121.635 121.223 -0.299 0.000 2.056 758 L HA -0.161 4.180 4.340 0.001 0.000 0.207 758 L C 2.450 179.235 176.870 -0.142 0.000 1.078 758 L CA 0.714 55.268 54.840 -0.476 0.000 0.749 758 L CB -0.578 40.749 42.059 -1.220 0.000 0.901 758 L HN -0.113 nan 8.230 nan 0.000 0.433 759 V N 0.062 119.995 119.914 0.031 0.000 2.295 759 V HA -0.287 3.834 4.120 0.001 0.000 0.246 759 V C 2.364 178.590 176.094 0.220 0.000 1.049 759 V CA 1.948 64.419 62.300 0.286 0.000 1.024 759 V CB -0.531 31.437 31.823 0.241 0.000 0.648 759 V HN 0.472 nan 8.190 nan 0.000 0.447 760 E N -1.045 119.243 120.200 0.146 0.000 2.110 760 E HA -0.257 4.094 4.350 0.001 0.000 0.193 760 E C 2.098 178.795 176.600 0.161 0.000 0.988 760 E CA 1.604 58.077 56.400 0.122 0.000 0.804 760 E CB -0.299 29.448 29.700 0.079 0.000 0.745 760 E HN 0.732 nan 8.360 nan 0.000 0.458 761 Y N 0.875 121.232 120.300 0.095 0.000 2.128 761 Y HA -0.331 4.220 4.550 0.001 0.000 0.284 761 Y C 2.280 178.300 175.900 0.200 0.000 1.154 761 Y CA 1.556 59.754 58.100 0.163 0.000 1.149 761 Y CB -0.313 38.239 38.460 0.152 0.000 0.976 761 Y HN 0.073 nan 8.280 nan 0.000 0.505 762 C N 0.081 119.682 119.300 0.502 0.000 2.457 762 C HA -0.150 4.311 4.460 0.001 0.000 0.278 762 C C 2.574 177.791 174.990 0.378 0.000 1.309 762 C CA 0.991 60.357 59.018 0.580 0.000 1.735 762 C CB -1.114 27.008 27.740 0.636 0.000 1.992 762 C HN 0.614 nan 8.230 nan 0.000 0.493 763 Q N 0.422 120.364 119.800 0.237 0.000 2.096 763 Q HA -0.258 4.083 4.340 0.001 0.000 0.204 763 Q C 2.405 178.445 176.000 0.066 0.000 0.982 763 Q CA 1.691 57.577 55.803 0.137 0.000 0.850 763 Q CB -0.250 28.543 28.738 0.091 0.000 0.901 763 Q HN 0.642 nan 8.270 nan 0.000 0.422 764 R N 0.056 120.549 120.500 -0.011 0.000 2.075 764 R HA -0.100 4.241 4.340 0.001 0.000 0.232 764 R C 2.290 178.510 176.300 -0.134 0.000 1.126 764 R CA 1.336 57.356 56.100 -0.132 0.000 0.963 764 R CB -0.486 29.619 30.300 -0.325 0.000 0.858 764 R HN 0.318 nan 8.270 nan 0.000 0.435 765 G N 0.067 108.766 108.800 -0.169 0.000 2.476 765 G HA2 -0.256 3.705 3.960 0.001 0.000 0.218 765 G HA3 -0.256 3.705 3.960 0.001 0.000 0.218 765 G C 1.355 176.195 174.900 -0.100 0.000 1.164 765 G CA 1.127 46.007 45.100 -0.368 0.000 0.768 765 G HN 0.241 nan 8.290 nan 0.000 0.560 766 V N 0.729 120.739 119.914 0.160 0.000 2.358 766 V HA -0.116 4.005 4.120 0.001 0.000 0.246 766 V C 2.663 178.807 176.094 0.083 0.000 1.047 766 V CA 2.191 64.609 62.300 0.197 0.000 1.035 766 V CB -0.383 31.570 31.823 0.217 0.000 0.658 766 V HN 0.448 nan 8.190 nan 0.000 0.452 767 K N 0.838 121.262 120.400 0.041 0.000 2.044 767 K HA -0.258 4.063 4.320 0.001 0.000 0.210 767 K C 2.004 178.608 176.600 0.007 0.000 1.049 767 K CA 2.164 58.459 56.287 0.014 0.000 0.927 767 K CB -0.159 32.333 32.500 -0.015 0.000 0.713 767 K HN 0.774 nan 8.250 nan 0.000 0.443 768 E N -1.276 118.914 120.200 -0.016 0.000 2.502 768 E HA 0.040 4.391 4.350 0.001 0.000 0.194 768 E C 0.759 177.368 176.600 0.016 0.000 1.062 768 E CA 0.564 56.961 56.400 -0.004 0.000 0.867 768 E CB 0.356 30.037 29.700 -0.032 0.000 0.888 768 E HN 0.479 nan 8.360 nan 0.000 0.510 769 G N 0.518 109.332 108.800 0.023 0.000 2.168 769 G HA2 -0.217 3.743 3.960 0.001 0.000 0.197 769 G HA3 -0.217 3.743 3.960 0.001 0.000 0.197 769 G C 0.341 175.274 174.900 0.054 0.000 0.997 769 G CA -0.214 44.915 45.100 0.047 0.000 0.658 769 G HN 0.628 nan 8.290 nan 0.000 0.513 770 A N 0.121 122.962 122.820 0.036 0.000 2.386 770 A HA 0.671 4.991 4.320 0.001 0.000 0.248 770 A C 0.744 178.479 177.584 0.253 0.000 1.082 770 A CA 1.038 53.133 52.037 0.097 0.000 0.789 770 A CB 0.349 19.317 19.000 -0.054 0.000 1.025 770 A HN 0.758 nan 8.150 nan 0.000 0.490 771 T N 2.323 117.037 114.554 0.267 0.000 2.729 771 T HA 0.344 4.695 4.350 0.001 0.000 0.296 771 T C -0.146 174.700 174.700 0.243 0.000 0.928 771 T CA 0.027 62.259 62.100 0.221 0.000 1.045 771 T CB 0.117 69.075 68.868 0.150 0.000 0.902 771 T HN 0.473 nan 8.240 nan 0.000 0.500 772 L N 6.423 127.713 121.223 0.111 0.000 2.325 772 L HA 0.284 4.625 4.340 0.001 0.000 0.284 772 L C 0.906 177.701 176.870 -0.125 0.000 1.089 772 L CA 0.353 55.077 54.840 -0.192 0.000 0.836 772 L CB 0.366 42.292 42.059 -0.222 0.000 1.184 772 L HN 0.502 nan 8.230 nan 0.000 0.444 773 V N 3.680 123.511 119.914 -0.137 0.000 2.500 773 V HA 0.018 4.139 4.120 0.001 0.000 0.243 773 V C 0.683 176.719 176.094 -0.097 0.000 1.039 773 V CA 1.060 63.318 62.300 -0.069 0.000 1.053 773 V CB -0.062 31.747 31.823 -0.022 0.000 0.695 773 V HN 0.964 nan 8.190 nan 0.000 0.463 774 C N -2.567 116.646 119.300 -0.145 0.000 3.285 774 C HA 0.829 5.289 4.460 0.001 0.000 0.325 774 C C 0.621 175.496 174.990 -0.193 0.000 1.304 774 C CA -0.476 58.455 59.018 -0.146 0.000 1.319 774 C CB 0.980 28.649 27.740 -0.117 0.000 1.640 774 C HN 1.180 nan 8.230 nan 0.000 0.477 775 G N 0.889 109.570 108.800 -0.197 0.000 2.547 775 G HA2 0.356 4.316 3.960 0.001 0.000 0.271 775 G HA3 0.356 4.316 3.960 0.001 0.000 0.271 775 G C 1.178 175.924 174.900 -0.257 0.000 1.209 775 G CA 2.022 46.972 45.100 -0.251 0.000 0.959 775 G HN 3.267 nan 8.290 nan 0.000 0.563 776 G N -1.301 107.319 108.800 -0.299 0.000 2.176 776 G HA2 -0.069 3.891 3.960 0.001 0.000 0.232 776 G HA3 -0.069 3.891 3.960 0.001 0.000 0.232 776 G C 0.189 174.974 174.900 -0.192 0.000 0.986 776 G CA 1.294 46.336 45.100 -0.097 0.000 0.643 776 G HN 2.358 nan 8.290 nan 0.000 0.522 777 N N -0.153 118.192 118.700 -0.592 0.000 2.312 777 N HA 0.466 5.207 4.740 0.001 0.000 0.296 777 N C -0.342 174.833 175.510 -0.559 0.000 1.193 777 N CA -0.733 52.090 53.050 -0.379 0.000 0.773 777 N CB 1.311 39.685 38.487 -0.187 0.000 1.435 777 N HN 0.338 nan 8.380 nan 0.000 0.484 778 Q N 0.830 120.574 119.800 -0.093 0.000 2.330 778 Q HA 0.121 4.462 4.340 0.001 0.000 0.279 778 Q C -0.580 175.409 176.000 -0.019 0.000 1.024 778 Q CA -0.387 55.450 55.803 0.056 0.000 0.900 778 Q CB 0.659 29.504 28.738 0.178 0.000 1.221 778 Q HN 0.444 nan 8.270 nan 0.000 0.396 779 V N 6.872 126.803 119.914 0.028 0.000 2.572 779 V HA 0.119 4.240 4.120 0.001 0.000 0.291 779 V C -2.020 174.068 176.094 -0.011 0.000 1.039 779 V CA -1.251 61.040 62.300 -0.014 0.000 1.055 779 V CB 0.720 32.550 31.823 0.012 0.000 0.969 779 V HN 0.840 nan 8.190 nan 0.000 0.482 780 P HA 0.308 nan 4.420 nan 0.000 0.268 780 P C -0.472 176.780 177.300 -0.080 0.000 1.485 780 P CA -0.029 63.044 63.100 -0.044 0.000 1.102 780 P CB -0.032 31.639 31.700 -0.048 0.000 1.501 781 R N 1.981 122.436 120.500 -0.076 0.000 2.728 781 R HA 0.629 4.970 4.340 0.001 0.000 0.274 781 R C -3.202 173.056 176.300 -0.070 0.000 1.032 781 R CA -1.946 54.078 56.100 -0.126 0.000 0.866 781 R CB -0.608 29.525 30.300 -0.279 0.000 1.263 781 R HN -0.089 nan 8.270 nan 0.000 0.475 782 P HA 0.315 nan 4.420 nan 0.000 0.271 782 P C 0.207 177.488 177.300 -0.031 0.000 1.233 782 P CA 1.245 64.306 63.100 -0.064 0.000 0.789 782 P CB 0.453 32.110 31.700 -0.072 0.000 0.951 783 G N 0.067 108.716 108.800 -0.253 0.000 2.632 783 G HA2 -0.169 3.792 3.960 0.001 0.000 0.224 783 G HA3 -0.169 3.792 3.960 0.001 0.000 0.224 783 G C -0.823 173.733 174.900 -0.574 0.000 1.341 783 G CA -0.585 44.151 45.100 -0.607 0.000 0.880 783 G HN 0.336 nan 8.290 nan 0.000 0.566 784 F N 0.413 120.390 119.950 0.046 0.000 2.530 784 F HA 0.578 5.105 4.527 0.001 0.000 0.318 784 F C 0.222 175.984 175.800 -0.063 0.000 1.356 784 F CA -1.082 56.916 58.000 -0.002 0.000 1.135 784 F CB 0.115 39.074 39.000 -0.069 0.000 1.315 784 F HN 0.293 nan 8.300 nan 0.000 0.549 785 F N 0.833 120.865 119.950 0.136 0.000 2.394 785 F HA 0.465 4.993 4.527 0.001 0.000 0.340 785 F C -0.196 175.737 175.800 0.221 0.000 1.105 785 F CA -0.799 57.277 58.000 0.128 0.000 1.124 785 F CB 1.082 40.111 39.000 0.048 0.000 1.145 785 F HN 0.045 nan 8.300 nan 0.000 0.505 786 F N 2.438 122.544 119.950 0.260 0.000 2.529 786 F HA 0.385 4.913 4.527 0.001 0.000 0.320 786 F C -0.301 175.622 175.800 0.205 0.000 1.118 786 F CA -1.024 57.089 58.000 0.189 0.000 0.915 786 F CB 1.360 40.429 39.000 0.115 0.000 1.161 786 F HN 0.334 nan 8.300 nan 0.000 0.445 787 Q N 6.976 126.509 119.800 -0.444 0.000 2.297 787 Q HA 0.294 4.635 4.340 0.001 0.000 0.267 787 Q C -2.462 173.346 176.000 -0.319 0.000 1.006 787 Q CA -1.781 53.810 55.803 -0.352 0.000 0.896 787 Q CB 0.847 29.337 28.738 -0.413 0.000 1.186 787 Q HN 0.233 nan 8.270 nan 0.000 0.392 788 P HA -0.034 nan 4.420 nan 0.000 0.262 788 P C -1.137 176.015 177.300 -0.247 0.000 1.182 788 P CA 0.457 63.245 63.100 -0.520 0.000 0.761 788 P CB 0.672 31.717 31.700 -1.091 0.000 0.795 789 T N 2.631 117.220 114.554 0.059 0.000 2.863 789 T HA 0.504 4.855 4.350 0.001 0.000 0.285 789 T C -0.549 174.251 174.700 0.167 0.000 1.009 789 T CA -0.455 61.688 62.100 0.071 0.000 0.989 789 T CB 1.147 70.126 68.868 0.185 0.000 1.004 789 T HN -0.042 nan 8.240 nan 0.000 0.455 790 V N 3.472 123.387 119.914 0.002 0.000 2.525 790 V HA 0.528 4.649 4.120 0.001 0.000 0.299 790 V C -1.175 174.874 176.094 -0.074 0.000 1.034 790 V CA -0.849 61.485 62.300 0.056 0.000 0.863 790 V CB 1.159 33.021 31.823 0.066 0.000 0.999 790 V HN 0.784 nan 8.190 nan 0.000 0.423 791 F N 2.955 122.977 119.950 0.120 0.000 2.450 791 F HA 0.749 5.276 4.527 0.001 0.000 0.332 791 F C 0.837 176.693 175.800 0.094 0.000 1.093 791 F CA -0.219 57.842 58.000 0.101 0.000 1.003 791 F CB 2.324 41.386 39.000 0.104 0.000 1.151 791 F HN 0.610 nan 8.300 nan 0.000 0.474 792 T N -2.186 112.558 114.554 0.316 0.000 2.883 792 T HA 0.378 4.729 4.350 0.001 0.000 0.284 792 T C -0.636 174.183 174.700 0.198 0.000 1.041 792 T CA -0.864 61.390 62.100 0.257 0.000 1.007 792 T CB 1.513 70.546 68.868 0.274 0.000 1.220 792 T HN 0.543 nan 8.240 nan 0.000 0.552 793 D N -0.502 119.982 120.400 0.140 0.000 2.772 793 D HA -0.115 4.525 4.640 0.001 0.000 0.233 793 D C -0.336 175.985 176.300 0.035 0.000 1.143 793 D CA 0.383 54.423 54.000 0.067 0.000 0.700 793 D CB -1.711 39.134 40.800 0.075 0.000 1.076 793 D HN 0.496 nan 8.370 nan 0.000 0.430 794 V N 0.804 120.727 119.914 0.014 0.000 2.461 794 V HA 0.127 4.248 4.120 0.001 0.000 0.275 794 V C 0.868 176.914 176.094 -0.080 0.000 1.047 794 V CA -0.069 62.194 62.300 -0.063 0.000 0.955 794 V CB 1.762 33.534 31.823 -0.086 0.000 0.988 794 V HN -0.017 nan 8.190 nan 0.000 0.471 795 E N 2.762 122.877 120.200 -0.142 0.000 2.222 795 E HA 0.287 4.638 4.350 0.001 0.000 0.272 795 E C 0.248 176.736 176.600 -0.187 0.000 0.982 795 E CA -0.681 55.643 56.400 -0.127 0.000 0.842 795 E CB 1.444 31.073 29.700 -0.118 0.000 1.144 795 E HN 0.553 nan 8.360 nan 0.000 0.397 796 D N 0.326 120.708 120.400 -0.031 0.000 2.182 796 D HA -0.176 4.465 4.640 0.001 0.000 0.201 796 D C 1.566 177.858 176.300 -0.013 0.000 0.986 796 D CA 1.475 55.485 54.000 0.017 0.000 0.847 796 D CB -0.216 40.645 40.800 0.101 0.000 0.942 796 D HN 0.587 nan 8.370 nan 0.000 0.467 797 H N -1.334 117.749 119.070 0.022 0.000 2.547 797 H HA 0.198 4.755 4.556 0.001 0.000 0.272 797 H C 0.787 176.123 175.328 0.013 0.000 0.989 797 H CA -0.118 55.939 56.048 0.016 0.000 1.214 797 H CB -0.346 29.425 29.762 0.016 0.000 1.389 797 H HN 0.002 nan 8.280 nan 0.000 0.577 798 M N 0.699 120.036 119.600 -0.438 0.000 2.243 798 M HA -0.005 4.476 4.480 0.001 0.000 0.341 798 M C 0.918 177.168 176.300 -0.083 0.000 1.130 798 M CA -0.184 54.960 55.300 -0.259 0.000 1.162 798 M CB 0.538 32.941 32.600 -0.329 0.000 1.497 798 M HN 0.278 nan 8.290 nan 0.000 0.456 799 Y N 3.540 123.744 120.300 -0.159 0.000 2.114 799 Y HA -0.276 4.275 4.550 0.001 0.000 0.282 799 Y C 1.844 177.626 175.900 -0.198 0.000 1.165 799 Y CA 2.465 60.474 58.100 -0.153 0.000 1.148 799 Y CB -0.122 38.228 38.460 -0.183 0.000 0.972 799 Y HN 0.723 nan 8.280 nan 0.000 0.504 800 I N -1.296 119.147 120.570 -0.212 0.000 3.001 800 I HA 0.045 4.215 4.170 0.001 0.000 0.268 800 I C 1.984 178.019 176.117 -0.137 0.000 1.267 800 I CA 1.273 62.394 61.300 -0.299 0.000 1.472 800 I CB -0.585 37.173 38.000 -0.403 0.000 1.089 800 I HN 0.218 nan 8.210 nan 0.000 0.468 801 A N 1.329 124.060 122.820 -0.148 0.000 2.169 801 A HA 0.085 4.406 4.320 0.001 0.000 0.212 801 A C 2.183 179.737 177.584 -0.051 0.000 1.153 801 A CA 0.673 52.651 52.037 -0.097 0.000 0.756 801 A CB -0.156 18.780 19.000 -0.107 0.000 0.813 801 A HN 0.521 nan 8.150 nan 0.000 0.471 802 K N -0.674 119.670 120.400 -0.094 0.000 2.403 802 K HA 0.141 4.462 4.320 0.001 0.000 0.199 802 K C -0.356 176.216 176.600 -0.047 0.000 1.199 802 K CA 0.063 56.312 56.287 -0.064 0.000 0.924 802 K CB 0.405 32.852 32.500 -0.089 0.000 1.137 802 K HN 0.183 nan 8.250 nan 0.000 0.510 803 E N 2.119 122.204 120.200 -0.190 0.000 2.249 803 E HA 0.082 4.432 4.350 0.001 0.000 0.280 803 E C -0.889 175.790 176.600 0.131 0.000 1.016 803 E CA -0.183 56.146 56.400 -0.118 0.000 0.830 803 E CB 1.421 30.756 29.700 -0.607 0.000 1.081 803 E HN 0.125 nan 8.360 nan 0.000 0.395 804 E N 1.421 121.720 120.200 0.165 0.000 2.257 804 E HA 0.015 4.365 4.350 0.001 0.000 0.278 804 E C 0.796 177.447 176.600 0.085 0.000 1.049 804 E CA 0.013 56.484 56.400 0.119 0.000 0.876 804 E CB 0.601 30.326 29.700 0.042 0.000 1.035 804 E HN 0.508 nan 8.360 nan 0.000 0.419 805 S N 4.654 120.300 115.700 -0.089 0.000 2.395 805 S HA -0.127 4.344 4.470 0.001 0.000 0.225 805 S C 0.944 175.578 174.600 0.057 0.000 1.027 805 S CA 0.315 58.269 58.200 -0.411 0.000 0.965 805 S CB -0.264 62.396 63.200 -0.900 0.000 0.812 805 S HN 0.797 nan 8.310 nan 0.000 0.482 806 F N 1.369 121.285 119.950 -0.058 0.000 3.084 806 F HA -0.060 4.468 4.527 0.001 0.000 0.286 806 F C 0.554 176.460 175.800 0.175 0.000 0.855 806 F CA 0.569 58.596 58.000 0.045 0.000 1.091 806 F CB -1.184 37.840 39.000 0.041 0.000 1.177 806 F HN 0.597 nan 8.300 nan 0.000 0.542 807 G N -0.804 108.030 108.800 0.056 0.000 2.766 807 G HA2 0.667 4.628 3.960 0.001 0.000 0.288 807 G HA3 0.667 4.628 3.960 0.001 0.000 0.288 807 G C -3.021 171.932 174.900 0.088 0.000 1.408 807 G CA -0.793 44.321 45.100 0.023 0.000 0.852 807 G HN -0.142 nan 8.290 nan 0.000 0.487 808 P HA 0.340 nan 4.420 nan 0.000 0.225 808 P C -0.758 176.853 177.300 0.519 0.000 1.813 808 P CA 0.035 63.413 63.100 0.464 0.000 1.013 808 P CB -0.362 31.631 31.700 0.489 0.000 1.961 809 I N 2.012 122.783 120.570 0.335 0.000 2.448 809 I HA 0.353 4.524 4.170 0.001 0.000 0.281 809 I C 0.390 176.646 176.117 0.232 0.000 1.027 809 I CA -0.805 60.701 61.300 0.344 0.000 1.111 809 I CB 1.966 40.153 38.000 0.312 0.000 1.236 809 I HN 0.031 nan 8.210 nan 0.000 0.452 810 M N 7.483 127.214 119.600 0.218 0.000 2.146 810 M HA 0.479 4.959 4.480 0.001 0.000 0.352 810 M C -1.175 175.234 176.300 0.181 0.000 1.343 810 M CA 0.100 55.444 55.300 0.073 0.000 1.115 810 M CB 0.540 33.138 32.600 -0.004 0.000 1.657 810 M HN 0.494 nan 8.290 nan 0.000 0.471 811 I N 7.464 128.098 120.570 0.107 0.000 2.464 811 I HA 0.340 4.510 4.170 0.001 0.000 0.277 811 I C -0.892 175.222 176.117 -0.005 0.000 1.040 811 I CA -0.306 61.064 61.300 0.117 0.000 1.153 811 I CB 0.868 38.916 38.000 0.081 0.000 1.274 811 I HN 0.655 nan 8.210 nan 0.000 0.469 812 I N 4.681 125.286 120.570 0.059 0.000 2.354 812 I HA 0.394 4.565 4.170 0.001 0.000 0.292 812 I C 0.020 176.145 176.117 0.012 0.000 0.989 812 I CA -0.131 61.184 61.300 0.024 0.000 1.188 812 I CB 1.633 39.717 38.000 0.139 0.000 1.342 812 I HN 0.424 nan 8.210 nan 0.000 0.457 813 S N 5.451 121.088 115.700 -0.106 0.000 2.536 813 S HA 0.579 5.049 4.470 0.001 0.000 0.298 813 S C -0.305 174.356 174.600 0.101 0.000 1.083 813 S CA -0.892 57.279 58.200 -0.047 0.000 0.995 813 S CB 1.847 64.942 63.200 -0.174 0.000 1.058 813 S HN 0.483 nan 8.310 nan 0.000 0.488 814 R N 0.977 121.518 120.500 0.067 0.000 2.500 814 R HA 0.597 4.938 4.340 0.001 0.000 0.275 814 R C -0.730 175.710 176.300 0.234 0.000 1.051 814 R CA -0.354 55.772 56.100 0.043 0.000 1.088 814 R CB 0.486 30.682 30.300 -0.174 0.000 1.063 814 R HN 0.649 nan 8.270 nan 0.000 0.511 815 F N -1.196 118.781 119.950 0.045 0.000 2.599 815 F HA 0.715 5.243 4.527 0.001 0.000 0.311 815 F C -0.690 175.123 175.800 0.022 0.000 1.076 815 F CA -1.626 56.396 58.000 0.037 0.000 0.937 815 F CB 1.017 40.030 39.000 0.021 0.000 1.282 815 F HN 0.540 nan 8.300 nan 0.000 0.460 816 A N 1.749 124.654 122.820 0.142 0.000 2.462 816 A HA 0.252 4.573 4.320 0.001 0.000 0.243 816 A C -0.257 177.343 177.584 0.027 0.000 1.076 816 A CA -0.440 51.623 52.037 0.044 0.000 0.773 816 A CB -0.251 18.802 19.000 0.089 0.000 1.010 816 A HN 0.749 nan 8.150 nan 0.000 0.493 817 D N 1.273 121.655 120.400 -0.031 0.000 2.531 817 D HA 0.295 4.936 4.640 0.001 0.000 0.239 817 D C 1.336 177.700 176.300 0.105 0.000 1.144 817 D CA 2.115 56.120 54.000 0.010 0.000 0.869 817 D CB 0.390 41.192 40.800 0.004 0.000 1.160 817 D HN 1.158 nan 8.370 nan 0.000 0.484 818 G N 2.780 111.692 108.800 0.187 0.000 2.143 818 G HA2 -0.266 3.695 3.960 0.001 0.000 0.249 818 G HA3 -0.266 3.695 3.960 0.001 0.000 0.249 818 G C 0.311 175.343 174.900 0.220 0.000 0.981 818 G CA -0.126 45.087 45.100 0.187 0.000 0.665 818 G HN 0.541 nan 8.290 nan 0.000 0.528 819 D N 0.663 121.260 120.400 0.327 0.000 3.110 819 D HA 0.469 5.110 4.640 0.001 0.000 0.254 819 D C 1.951 178.376 176.300 0.209 0.000 1.283 819 D CA 0.025 54.176 54.000 0.253 0.000 0.944 819 D CB 0.431 41.388 40.800 0.261 0.000 1.066 819 D HN 0.144 nan 8.370 nan 0.000 0.496 820 V N 0.528 120.567 119.914 0.208 0.000 2.237 820 V HA -0.235 3.886 4.120 0.001 0.000 0.245 820 V C 1.891 178.049 176.094 0.106 0.000 1.046 820 V CA 1.476 63.899 62.300 0.204 0.000 1.007 820 V CB -0.184 31.747 31.823 0.180 0.000 0.638 820 V HN 0.284 nan 8.190 nan 0.000 0.445 821 D N 0.220 120.686 120.400 0.110 0.000 2.144 821 D HA -0.113 4.528 4.640 0.001 0.000 0.199 821 D C 2.194 178.491 176.300 -0.006 0.000 0.984 821 D CA 1.632 55.681 54.000 0.081 0.000 0.834 821 D CB -0.345 40.509 40.800 0.090 0.000 0.955 821 D HN 0.436 nan 8.370 nan 0.000 0.465 822 A N 0.495 123.310 122.820 -0.007 0.000 1.902 822 A HA -0.130 4.191 4.320 0.001 0.000 0.217 822 A C 2.408 179.907 177.584 -0.141 0.000 1.181 822 A CA 1.339 53.354 52.037 -0.037 0.000 0.623 822 A CB -0.800 18.210 19.000 0.016 0.000 0.818 822 A HN 0.200 nan 8.150 nan 0.000 0.443 823 V N -0.188 119.577 119.914 -0.249 0.000 2.548 823 V HA -0.141 3.980 4.120 0.001 0.000 0.249 823 V C 2.356 178.101 176.094 -0.582 0.000 1.055 823 V CA 1.754 63.717 62.300 -0.562 0.000 1.065 823 V CB -0.403 30.780 31.823 -1.065 0.000 0.681 823 V HN 0.575 nan 8.190 nan 0.000 0.462 824 L N -0.283 120.735 121.223 -0.343 0.000 2.042 824 L HA -0.175 4.165 4.340 0.001 0.000 0.210 824 L C 2.708 179.443 176.870 -0.224 0.000 1.076 824 L CA 2.031 56.715 54.840 -0.260 0.000 0.749 824 L CB -0.633 41.345 42.059 -0.134 0.000 0.893 824 L HN 0.315 nan 8.230 nan 0.000 0.432 825 S N -0.465 115.134 115.700 -0.168 0.000 2.359 825 S HA -0.195 4.275 4.470 0.001 0.000 0.224 825 S C 2.008 176.532 174.600 -0.127 0.000 1.035 825 S CA 1.351 59.483 58.200 -0.113 0.000 1.018 825 S CB -0.196 62.963 63.200 -0.069 0.000 0.876 825 S HN 0.374 nan 8.310 nan 0.000 0.448 826 R N 1.178 121.562 120.500 -0.193 0.000 2.081 826 R HA 0.025 4.366 4.340 0.001 0.000 0.235 826 R C 2.543 178.747 176.300 -0.160 0.000 1.131 826 R CA 1.241 57.252 56.100 -0.148 0.000 0.960 826 R CB -0.487 29.723 30.300 -0.150 0.000 0.856 826 R HN 0.389 nan 8.270 nan 0.000 0.436 827 A N 1.488 124.045 122.820 -0.437 0.000 1.972 827 A HA -0.129 4.191 4.320 0.001 0.000 0.219 827 A C 1.564 179.118 177.584 -0.050 0.000 1.169 827 A CA 1.365 53.253 52.037 -0.248 0.000 0.635 827 A CB -0.257 18.509 19.000 -0.390 0.000 0.810 827 A HN 0.220 nan 8.150 nan 0.000 0.446 828 N N -0.071 118.582 118.700 -0.079 0.000 2.398 828 N HA 0.137 4.878 4.740 0.001 0.000 0.188 828 N C 0.838 176.344 175.510 -0.006 0.000 1.122 828 N CA 0.803 53.836 53.050 -0.030 0.000 0.866 828 N CB -0.039 38.420 38.487 -0.048 0.000 0.970 828 N HN 0.401 nan 8.380 nan 0.000 0.462 829 A N 0.407 123.227 122.820 -0.000 0.000 2.543 829 A HA 0.137 4.458 4.320 0.001 0.000 0.258 829 A C 0.723 178.316 177.584 0.015 0.000 1.391 829 A CA -0.028 52.013 52.037 0.008 0.000 1.066 829 A CB -0.433 18.576 19.000 0.015 0.000 0.972 829 A HN 0.048 nan 8.150 nan 0.000 0.560 830 T N -1.776 112.788 114.554 0.017 0.000 2.908 830 T HA 0.342 4.693 4.350 0.001 0.000 0.290 830 T C 0.509 175.175 174.700 -0.056 0.000 1.034 830 T CA -0.438 61.657 62.100 -0.007 0.000 1.010 830 T CB 1.127 70.040 68.868 0.074 0.000 1.068 830 T HN 0.210 nan 8.240 nan 0.000 0.481 831 E N 1.972 122.058 120.200 -0.189 0.000 2.502 831 E HA 0.120 4.471 4.350 0.001 0.000 0.194 831 E C -0.073 176.417 176.600 -0.182 0.000 1.062 831 E CA 0.184 56.459 56.400 -0.208 0.000 0.867 831 E CB 0.014 29.551 29.700 -0.272 0.000 0.888 831 E HN 0.505 nan 8.360 nan 0.000 0.510 832 F N 0.164 120.132 119.950 0.030 0.000 2.375 832 F HA 0.471 4.998 4.527 0.001 0.000 0.313 832 F C 1.527 177.342 175.800 0.025 0.000 1.176 832 F CA -0.439 57.577 58.000 0.026 0.000 1.142 832 F CB 1.075 40.088 39.000 0.022 0.000 1.275 832 F HN -0.140 nan 8.300 nan 0.000 0.544 833 G N 0.737 109.677 108.800 0.234 0.000 5.374 833 G HA2 0.245 4.206 3.960 0.001 0.000 0.198 833 G HA3 0.245 4.206 3.960 0.001 0.000 0.198 833 G C -0.032 174.801 174.900 -0.112 0.000 0.812 833 G CA -0.181 44.965 45.100 0.077 0.000 0.614 833 G HN 0.553 nan 8.290 nan 0.000 0.357 834 L N 0.492 121.651 121.223 -0.107 0.000 2.130 834 L HA 0.817 5.158 4.340 0.001 0.000 0.200 834 L C 1.164 177.824 176.870 -0.350 0.000 1.075 834 L CA 2.020 56.716 54.840 -0.241 0.000 0.768 834 L CB 0.065 42.023 42.059 -0.170 0.000 0.933 834 L HN 0.408 nan 8.230 nan 0.000 0.451 835 A N -2.042 120.648 122.820 -0.215 0.000 2.552 835 A HA 0.843 5.164 4.320 0.001 0.000 0.288 835 A C -0.922 176.611 177.584 -0.086 0.000 1.193 835 A CA 0.181 52.075 52.037 -0.238 0.000 0.713 835 A CB 1.136 20.039 19.000 -0.161 0.000 1.305 835 A HN 0.355 nan 8.150 nan 0.000 0.424 836 S N -1.895 113.762 115.700 -0.070 0.000 2.645 836 S HA 0.786 5.257 4.470 0.001 0.000 0.268 836 S C -0.487 174.194 174.600 0.135 0.000 1.110 836 S CA -0.117 58.122 58.200 0.065 0.000 0.823 836 S CB 0.728 63.911 63.200 -0.029 0.000 1.091 836 S HN 2.480 nan 8.310 nan 0.000 0.466 837 G N -0.818 108.111 108.800 0.215 0.000 2.698 837 G HA2 0.737 4.698 3.960 0.001 0.000 0.293 837 G HA3 0.737 4.698 3.960 0.001 0.000 0.293 837 G C -1.901 173.045 174.900 0.076 0.000 1.437 837 G CA -0.343 44.901 45.100 0.241 0.000 0.852 837 G HN 1.645 nan 8.290 nan 0.000 0.499 838 V N 0.478 120.468 119.914 0.128 0.000 2.733 838 V HA 0.783 4.904 4.120 0.001 0.000 0.306 838 V C -1.772 174.547 176.094 0.375 0.000 1.084 838 V CA -0.997 61.393 62.300 0.151 0.000 0.905 838 V CB 1.595 33.559 31.823 0.234 0.000 1.010 838 V HN 0.564 nan 8.190 nan 0.000 0.424 839 F N 4.402 124.501 119.950 0.248 0.000 2.402 839 F HA 0.848 5.376 4.527 0.001 0.000 0.355 839 F C 0.355 176.335 175.800 0.301 0.000 1.123 839 F CA -0.700 57.434 58.000 0.225 0.000 1.021 839 F CB 1.613 40.716 39.000 0.172 0.000 1.160 839 F HN 0.580 nan 8.300 nan 0.000 0.451 840 T N 2.794 117.594 114.554 0.410 0.000 2.977 840 T HA 0.297 4.648 4.350 0.001 0.000 0.345 840 T C 0.499 175.295 174.700 0.160 0.000 1.562 840 T CA -0.600 61.670 62.100 0.284 0.000 1.090 840 T CB 1.224 70.205 68.868 0.189 0.000 1.383 840 T HN 0.703 nan 8.240 nan 0.000 0.484 841 R N 1.120 121.687 120.500 0.111 0.000 2.299 841 R HA 0.093 4.434 4.340 0.001 0.000 0.197 841 R C -0.046 176.277 176.300 0.038 0.000 0.971 841 R CA 0.014 56.155 56.100 0.068 0.000 1.030 841 R CB 0.140 30.474 30.300 0.057 0.000 0.932 841 R HN 0.500 nan 8.270 nan 0.000 0.477 842 D N 1.305 121.713 120.400 0.015 0.000 2.339 842 D HA -0.000 4.641 4.640 0.001 0.000 0.241 842 D C 0.970 177.260 176.300 -0.017 0.000 1.183 842 D CA -0.067 53.919 54.000 -0.022 0.000 0.859 842 D CB 0.779 41.532 40.800 -0.078 0.000 1.067 842 D HN 0.006 nan 8.370 nan 0.000 0.484 843 I N 4.118 124.687 120.570 -0.003 0.000 2.264 843 I HA -0.308 3.863 4.170 0.001 0.000 0.248 843 I C 1.219 177.338 176.117 0.004 0.000 1.111 843 I CA 0.944 62.249 61.300 0.009 0.000 1.382 843 I CB 0.168 38.175 38.000 0.011 0.000 1.060 843 I HN 0.305 nan 8.210 nan 0.000 0.418 844 N N 1.228 119.918 118.700 -0.017 0.000 2.120 844 N HA -0.189 4.552 4.740 0.001 0.000 0.188 844 N C 1.752 177.253 175.510 -0.015 0.000 1.024 844 N CA 1.253 54.291 53.050 -0.019 0.000 0.852 844 N CB -0.272 38.185 38.487 -0.050 0.000 1.003 844 N HN 0.359 nan 8.380 nan 0.000 0.424 845 K N 0.553 120.907 120.400 -0.077 0.000 2.026 845 K HA 0.019 4.340 4.320 0.001 0.000 0.208 845 K C 2.005 178.601 176.600 -0.008 0.000 1.048 845 K CA 1.118 57.332 56.287 -0.122 0.000 0.929 845 K CB -0.156 32.103 32.500 -0.401 0.000 0.713 845 K HN 0.130 nan 8.250 nan 0.000 0.439 846 A N 1.482 124.307 122.820 0.008 0.000 1.883 846 A HA -0.172 4.149 4.320 0.001 0.000 0.217 846 A C 2.119 179.746 177.584 0.071 0.000 1.186 846 A CA 1.414 53.492 52.037 0.068 0.000 0.624 846 A CB -0.694 18.351 19.000 0.074 0.000 0.822 846 A HN 0.185 nan 8.150 nan 0.000 0.444 847 L N -2.447 118.816 121.223 0.066 0.000 2.056 847 L HA -0.151 4.190 4.340 0.001 0.000 0.207 847 L C 2.616 179.535 176.870 0.081 0.000 1.078 847 L CA 1.651 56.528 54.840 0.062 0.000 0.749 847 L CB -0.643 41.449 42.059 0.055 0.000 0.901 847 L HN 0.590 nan 8.230 nan 0.000 0.433 848 Y N 0.439 120.728 120.300 -0.018 0.000 2.145 848 Y HA -0.217 4.334 4.550 0.001 0.000 0.286 848 Y C 2.418 178.313 175.900 -0.008 0.000 1.145 848 Y CA 1.563 59.652 58.100 -0.019 0.000 1.148 848 Y CB -0.290 38.151 38.460 -0.032 0.000 0.981 848 Y HN -0.184 nan 8.280 nan 0.000 0.507 849 V N 0.269 120.214 119.914 0.053 0.000 2.343 849 V HA -0.322 3.799 4.120 0.001 0.000 0.247 849 V C 2.637 178.690 176.094 -0.069 0.000 1.051 849 V CA 2.197 64.488 62.300 -0.015 0.000 1.036 849 V CB -1.196 30.710 31.823 0.138 0.000 0.654 849 V HN 0.664 nan 8.190 nan 0.000 0.451 850 S N -0.346 115.337 115.700 -0.029 0.000 2.402 850 S HA -0.233 4.238 4.470 0.001 0.000 0.229 850 S C 1.655 176.209 174.600 -0.076 0.000 1.021 850 S CA 1.520 59.694 58.200 -0.043 0.000 0.974 850 S CB -0.504 62.686 63.200 -0.018 0.000 0.800 850 S HN 0.567 nan 8.310 nan 0.000 0.484 851 D N 1.763 122.098 120.400 -0.108 0.000 2.097 851 D HA -0.019 4.622 4.640 0.001 0.000 0.195 851 D C 1.972 178.175 176.300 -0.161 0.000 0.989 851 D CA 1.105 55.029 54.000 -0.127 0.000 0.827 851 D CB -0.116 40.589 40.800 -0.158 0.000 0.966 851 D HN 0.345 nan 8.370 nan 0.000 0.456 852 K N 0.051 120.295 120.400 -0.259 0.000 2.305 852 K HA 0.107 4.428 4.320 0.001 0.000 0.199 852 K C 0.764 177.278 176.600 -0.143 0.000 1.047 852 K CA -0.093 56.041 56.287 -0.256 0.000 0.976 852 K CB 0.082 32.323 32.500 -0.431 0.000 0.765 852 K HN 0.215 nan 8.250 nan 0.000 0.474 853 L N 2.952 124.109 121.223 -0.110 0.000 2.462 853 L HA -0.005 4.336 4.340 0.001 0.000 0.272 853 L C 0.611 177.475 176.870 -0.010 0.000 1.166 853 L CA 0.006 54.806 54.840 -0.067 0.000 0.880 853 L CB 0.421 42.440 42.059 -0.068 0.000 1.142 853 L HN -0.072 nan 8.230 nan 0.000 0.473 854 Q N 4.417 124.229 119.800 0.020 0.000 3.150 854 Q HA 0.459 4.799 4.340 0.001 0.000 0.297 854 Q C -0.407 175.684 176.000 0.151 0.000 1.382 854 Q CA -0.082 55.795 55.803 0.124 0.000 1.059 854 Q CB 0.875 29.665 28.738 0.088 0.000 1.559 854 Q HN 0.636 nan 8.270 nan 0.000 0.548 855 A N -1.026 121.813 122.820 0.033 0.000 2.572 855 A HA 0.693 5.014 4.320 0.001 0.000 0.295 855 A C 0.934 177.994 177.584 -0.874 0.000 1.072 855 A CA -0.240 51.599 52.037 -0.329 0.000 0.691 855 A CB 1.113 19.973 19.000 -0.233 0.000 1.291 855 A HN 0.386 nan 8.150 nan 0.000 0.404 856 G N -0.130 107.885 108.800 -1.310 0.000 2.443 856 G HA2 0.310 4.270 3.960 0.001 0.000 0.219 856 G HA3 0.310 4.270 3.960 0.001 0.000 0.219 856 G C 0.481 174.949 174.900 -0.719 0.000 1.131 856 G CA 1.612 45.875 45.100 -1.395 0.000 0.775 856 G HN 0.819 nan 8.290 nan 0.000 0.547 857 T N -0.251 113.912 114.554 -0.652 0.000 2.881 857 T HA 0.522 4.873 4.350 0.001 0.000 0.290 857 T C -1.097 173.216 174.700 -0.644 0.000 1.000 857 T CA -0.399 61.304 62.100 -0.662 0.000 0.978 857 T CB 2.756 71.116 68.868 -0.847 0.000 0.997 857 T HN -0.115 nan 8.240 nan 0.000 0.443 858 V N 4.008 123.578 119.914 -0.574 0.000 2.444 858 V HA 0.526 4.647 4.120 0.001 0.000 0.294 858 V C -0.985 174.834 176.094 -0.457 0.000 1.022 858 V CA -0.889 61.160 62.300 -0.419 0.000 0.850 858 V CB 0.858 32.563 31.823 -0.196 0.000 0.992 858 V HN 0.762 nan 8.190 nan 0.000 0.426 859 F N 4.891 124.762 119.950 -0.131 0.000 2.394 859 F HA 0.613 5.141 4.527 0.001 0.000 0.340 859 F C 0.321 176.161 175.800 0.067 0.000 1.105 859 F CA -0.855 57.096 58.000 -0.080 0.000 1.124 859 F CB 1.203 40.084 39.000 -0.197 0.000 1.145 859 F HN 0.240 nan 8.300 nan 0.000 0.505 860 I N 3.894 124.638 120.570 0.289 0.000 2.410 860 I HA 0.231 4.402 4.170 0.001 0.000 0.286 860 I C -0.335 175.947 176.117 0.275 0.000 1.009 860 I CA -0.698 60.761 61.300 0.264 0.000 1.111 860 I CB 1.099 39.194 38.000 0.157 0.000 1.262 860 I HN 0.578 nan 8.210 nan 0.000 0.443 861 N N 2.270 121.203 118.700 0.389 0.000 2.714 861 N HA -0.182 4.559 4.740 0.001 0.000 0.250 861 N C -0.171 175.359 175.510 0.033 0.000 1.117 861 N CA 1.389 54.538 53.050 0.165 0.000 0.719 861 N CB -0.789 37.746 38.487 0.080 0.000 1.081 861 N HN 0.800 nan 8.380 nan 0.000 0.557 862 T N -1.872 112.819 114.554 0.229 0.000 2.693 862 T HA 0.629 4.980 4.350 0.001 0.000 0.304 862 T C -2.222 172.629 174.700 0.251 0.000 1.471 862 T CA -0.514 61.658 62.100 0.121 0.000 0.993 862 T CB 1.383 70.266 68.868 0.026 0.000 1.554 862 T HN 0.114 nan 8.240 nan 0.000 0.496 863 Y N 0.906 121.074 120.300 -0.221 0.000 2.592 863 Y HA 0.404 4.955 4.550 0.001 0.000 0.334 863 Y C 0.311 175.684 175.900 -0.879 0.000 1.136 863 Y CA -0.480 57.241 58.100 -0.632 0.000 1.042 863 Y CB 1.526 39.897 38.460 -0.148 0.000 1.325 863 Y HN 0.836 nan 8.280 nan 0.000 0.457 864 N N 1.140 119.009 118.700 -1.385 0.000 2.800 864 N HA -0.212 4.529 4.740 0.001 0.000 0.250 864 N C -0.577 174.607 175.510 -0.544 0.000 1.078 864 N CA 1.110 53.749 53.050 -0.684 0.000 0.804 864 N CB -0.689 37.527 38.487 -0.452 0.000 1.135 864 N HN 0.397 nan 8.380 nan 0.000 0.565 865 K N 2.096 122.099 120.400 -0.662 0.000 2.307 865 K HA 0.172 4.493 4.320 0.001 0.000 0.240 865 K C 0.062 176.720 176.600 0.096 0.000 1.214 865 K CA -0.147 56.031 56.287 -0.181 0.000 1.149 865 K CB -0.418 32.019 32.500 -0.105 0.000 1.668 865 K HN 0.274 nan 8.250 nan 0.000 0.314 866 T N -1.038 113.559 114.554 0.070 0.000 2.849 866 T HA 0.452 4.803 4.350 0.001 0.000 0.284 866 T C -0.417 174.277 174.700 -0.010 0.000 1.004 866 T CA -0.773 61.393 62.100 0.110 0.000 1.021 866 T CB 1.394 70.367 68.868 0.175 0.000 1.013 866 T HN 0.438 nan 8.240 nan 0.000 0.527 867 D N -0.849 119.495 120.400 -0.094 0.000 2.803 867 D HA 0.316 4.957 4.640 0.001 0.000 0.218 867 D C 1.028 177.136 176.300 -0.320 0.000 1.245 867 D CA -0.575 53.327 54.000 -0.163 0.000 0.821 867 D CB 1.801 42.523 40.800 -0.130 0.000 1.626 867 D HN 0.458 nan 8.370 nan 0.000 0.487 868 V N 1.223 120.899 119.914 -0.395 0.000 2.867 868 V HA 0.049 4.170 4.120 0.001 0.000 0.260 868 V C 1.552 177.055 176.094 -0.985 0.000 1.099 868 V CA 1.833 63.759 62.300 -0.624 0.000 1.122 868 V CB -0.833 30.675 31.823 -0.525 0.000 0.708 868 V HN 0.549 nan 8.190 nan 0.000 0.490 869 A N -0.018 122.307 122.820 -0.825 0.000 2.238 869 A HA 0.732 5.053 4.320 0.001 0.000 0.210 869 A C 1.382 178.805 177.584 -0.267 0.000 1.179 869 A CA 0.576 52.198 52.037 -0.692 0.000 0.827 869 A CB -0.316 18.466 19.000 -0.362 0.000 0.856 869 A HN 1.013 nan 8.150 nan 0.000 0.488 870 A N 1.714 124.388 122.820 -0.242 0.000 2.258 870 A HA 0.642 4.962 4.320 0.001 0.000 0.316 870 A C -2.785 174.732 177.584 -0.111 0.000 1.279 870 A CA -1.896 50.065 52.037 -0.128 0.000 0.876 870 A CB 0.358 19.299 19.000 -0.099 0.000 1.170 870 A HN 0.162 nan 8.150 nan 0.000 0.520 871 P HA 0.171 nan 4.420 nan 0.000 0.269 871 P C -0.908 176.392 177.300 0.001 0.000 1.209 871 P CA 0.359 63.448 63.100 -0.018 0.000 0.776 871 P CB 0.348 32.052 31.700 0.008 0.000 0.876 872 F N 2.194 122.053 119.950 -0.152 0.000 2.553 872 F HA 0.645 5.172 4.527 0.001 0.000 0.335 872 F C -0.312 175.447 175.800 -0.069 0.000 1.148 872 F CA 0.101 58.016 58.000 -0.142 0.000 0.963 872 F CB 1.610 40.482 39.000 -0.213 0.000 1.217 872 F HN 0.554 nan 8.300 nan 0.000 0.441 873 G N 2.789 111.493 108.800 -0.159 0.000 2.489 873 G HA2 0.476 4.436 3.960 0.001 0.000 0.291 873 G HA3 0.476 4.436 3.960 0.001 0.000 0.291 873 G C -1.523 173.245 174.900 -0.220 0.000 1.487 873 G CA -0.301 44.773 45.100 -0.044 0.000 0.795 873 G HN 0.929 nan 8.290 nan 0.000 0.513 874 G N -1.248 107.491 108.800 -0.102 0.000 2.491 874 G HA2 0.723 4.684 3.960 0.001 0.000 0.327 874 G HA3 0.723 4.684 3.960 0.001 0.000 0.327 874 G C -1.060 173.906 174.900 0.110 0.000 1.189 874 G CA -0.627 44.385 45.100 -0.148 0.000 0.956 874 G HN 0.362 nan 8.290 nan 0.000 0.491 875 F N -0.244 119.714 119.950 0.013 0.000 2.572 875 F HA 0.601 5.129 4.527 0.001 0.000 0.342 875 F C 1.173 177.013 175.800 0.067 0.000 1.064 875 F CA -1.245 56.779 58.000 0.038 0.000 1.008 875 F CB 1.244 40.249 39.000 0.008 0.000 1.303 875 F HN 0.648 nan 8.300 nan 0.000 0.492 876 K N -0.335 120.231 120.400 0.276 0.000 1.882 876 K HA -0.304 4.017 4.320 0.001 0.000 0.199 876 K C 0.690 177.391 176.600 0.167 0.000 1.562 876 K CA 1.469 57.857 56.287 0.169 0.000 0.515 876 K CB -0.850 31.732 32.500 0.136 0.000 0.682 876 K HN 0.666 nan 8.250 nan 0.000 0.843 877 Q N 0.666 120.550 119.800 0.140 0.000 2.415 877 Q HA 0.089 4.430 4.340 0.001 0.000 0.206 877 Q C 1.099 177.281 176.000 0.303 0.000 0.946 877 Q CA 0.328 56.224 55.803 0.154 0.000 0.951 877 Q CB 0.252 29.005 28.738 0.025 0.000 1.026 877 Q HN 0.335 nan 8.270 nan 0.000 0.510 878 S N -0.122 115.757 115.700 0.299 0.000 2.562 878 S HA 0.145 4.616 4.470 0.001 0.000 0.221 878 S C 0.854 175.486 174.600 0.053 0.000 0.975 878 S CA 0.498 58.809 58.200 0.185 0.000 0.918 878 S CB 0.342 63.604 63.200 0.104 0.000 0.772 878 S HN 0.685 nan 8.310 nan 0.000 0.531 879 G N 1.204 110.024 108.800 0.032 0.000 2.384 879 G HA2 0.076 4.037 3.960 0.001 0.000 0.200 879 G HA3 0.076 4.037 3.960 0.001 0.000 0.200 879 G C -1.082 173.773 174.900 -0.075 0.000 1.205 879 G CA -0.437 44.535 45.100 -0.213 0.000 1.116 879 G HN 0.677 nan 8.290 nan 0.000 0.547 880 F N -2.132 117.880 119.950 0.104 0.000 2.770 880 F HA 0.795 5.323 4.527 0.001 0.000 0.313 880 F C 0.429 176.271 175.800 0.071 0.000 1.154 880 F CA -0.255 57.800 58.000 0.092 0.000 0.923 880 F CB 1.048 40.085 39.000 0.061 0.000 1.301 880 F HN 2.522 nan 8.300 nan 0.000 0.449 881 G N 1.608 110.612 108.800 0.341 0.000 2.692 881 G HA2 0.282 4.243 3.960 0.001 0.000 0.686 881 G HA3 0.282 4.243 3.960 0.001 0.000 0.686 881 G C -1.927 173.058 174.900 0.143 0.000 1.243 881 G CA -1.171 44.052 45.100 0.204 0.000 0.782 881 G HN 0.695 nan 8.290 nan 0.000 0.625 882 K N 1.092 121.557 120.400 0.107 0.000 2.259 882 K HA 0.567 4.888 4.320 0.001 0.000 0.252 882 K C -0.580 176.087 176.600 0.111 0.000 0.936 882 K CA -0.860 55.494 56.287 0.112 0.000 0.810 882 K CB 1.956 34.506 32.500 0.083 0.000 1.143 882 K HN 0.587 nan 8.250 nan 0.000 0.427 883 D N 2.147 122.627 120.400 0.134 0.000 2.229 883 D HA 0.518 5.159 4.640 0.001 0.000 0.249 883 D C 0.578 176.844 176.300 -0.058 0.000 1.027 883 D CA -0.374 53.658 54.000 0.054 0.000 0.923 883 D CB 0.971 41.817 40.800 0.077 0.000 1.174 883 D HN 0.367 nan 8.370 nan 0.000 0.443 884 L N -0.341 120.860 121.223 -0.037 0.000 0.584 884 L HA -0.130 4.211 4.340 0.001 0.000 0.356 884 L C 0.724 177.659 176.870 0.109 0.000 0.992 884 L CA 0.464 55.289 54.840 -0.025 0.000 1.223 884 L CB -1.277 40.494 42.059 -0.479 0.000 0.009 884 L HN 0.868 nan 8.230 nan 0.000 0.091 885 G N 0.290 109.106 108.800 0.026 0.000 2.860 885 G HA2 -0.243 3.718 3.960 0.001 0.000 0.553 885 G HA3 -0.243 3.718 3.960 0.001 0.000 0.553 885 G C 0.386 175.457 174.900 0.285 0.000 1.439 885 G CA 0.775 45.950 45.100 0.124 0.000 0.879 885 G HN 1.170 nan 8.290 nan 0.000 0.545 886 E N -0.087 120.231 120.200 0.198 0.000 2.130 886 E HA -0.128 4.223 4.350 0.001 0.000 0.196 886 E C 2.868 179.381 176.600 -0.144 0.000 0.998 886 E CA 2.076 58.348 56.400 -0.214 0.000 0.806 886 E CB -0.366 29.216 29.700 -0.196 0.000 0.738 886 E HN 1.107 nan 8.360 nan 0.000 0.459 887 A N 1.010 123.821 122.820 -0.014 0.000 1.978 887 A HA -0.142 4.179 4.320 0.001 0.000 0.220 887 A C 2.357 179.955 177.584 0.023 0.000 1.170 887 A CA 1.699 53.733 52.037 -0.004 0.000 0.636 887 A CB -0.693 18.320 19.000 0.023 0.000 0.810 887 A HN 0.426 nan 8.150 nan 0.000 0.448 888 A N -0.236 122.639 122.820 0.091 0.000 1.978 888 A HA -0.057 4.263 4.320 0.001 0.000 0.220 888 A C 2.092 179.727 177.584 0.085 0.000 1.170 888 A CA 1.453 53.554 52.037 0.105 0.000 0.636 888 A CB -0.552 18.544 19.000 0.160 0.000 0.810 888 A HN 0.502 nan 8.150 nan 0.000 0.448 889 L N -0.226 121.019 121.223 0.037 0.000 2.131 889 L HA -0.195 4.146 4.340 0.001 0.000 0.210 889 L C 2.051 178.934 176.870 0.022 0.000 1.092 889 L CA 1.012 55.859 54.840 0.011 0.000 0.759 889 L CB -0.618 41.362 42.059 -0.131 0.000 0.903 889 L HN 0.363 nan 8.230 nan 0.000 0.435 890 N N -0.119 118.565 118.700 -0.026 0.000 2.289 890 N HA -0.161 4.579 4.740 0.001 0.000 0.184 890 N C 1.625 177.100 175.510 -0.059 0.000 1.016 890 N CA 0.919 53.946 53.050 -0.037 0.000 0.872 890 N CB -0.141 38.320 38.487 -0.044 0.000 0.973 890 N HN 0.357 nan 8.380 nan 0.000 0.433 891 E N -0.355 119.781 120.200 -0.106 0.000 2.268 891 E HA -0.091 4.260 4.350 0.001 0.000 0.195 891 E C 0.531 176.870 176.600 -0.435 0.000 0.995 891 E CA 0.713 56.943 56.400 -0.283 0.000 0.836 891 E CB -0.113 29.339 29.700 -0.414 0.000 0.763 891 E HN 0.539 nan 8.360 nan 0.000 0.491 892 Y N -0.504 119.776 120.300 -0.032 0.000 2.557 892 Y HA 0.313 4.864 4.550 0.001 0.000 0.247 892 Y C 0.570 176.462 175.900 -0.015 0.000 1.164 892 Y CA -0.104 57.979 58.100 -0.030 0.000 1.218 892 Y CB 0.692 39.122 38.460 -0.049 0.000 1.210 892 Y HN -0.164 nan 8.280 nan 0.000 0.529 893 L N 0.915 122.184 121.223 0.077 0.000 2.323 893 L HA 0.638 4.979 4.340 0.001 0.000 0.265 893 L C -0.299 176.586 176.870 0.025 0.000 1.012 893 L CA -1.186 53.689 54.840 0.058 0.000 0.820 893 L CB 2.342 44.424 42.059 0.038 0.000 1.334 893 L HN -0.027 nan 8.230 nan 0.000 0.427 894 R N 1.176 121.696 120.500 0.034 0.000 2.854 894 R HA 0.785 5.126 4.340 0.001 0.000 0.271 894 R C -1.435 174.878 176.300 0.021 0.000 0.996 894 R CA -0.801 55.311 56.100 0.020 0.000 0.961 894 R CB 1.856 32.172 30.300 0.026 0.000 1.182 894 R HN 0.472 nan 8.270 nan 0.000 0.479 895 I N 1.623 122.200 120.570 0.012 0.000 2.389 895 I HA 0.312 4.482 4.170 0.001 0.000 0.288 895 I C -0.380 175.746 176.117 0.014 0.000 0.999 895 I CA -0.756 60.552 61.300 0.013 0.000 1.129 895 I CB 1.932 39.935 38.000 0.006 0.000 1.288 895 I HN 0.577 nan 8.210 nan 0.000 0.444 896 K N 5.212 125.624 120.400 0.020 0.000 2.213 896 K HA 0.462 4.782 4.320 0.001 0.000 0.270 896 K C -0.791 175.820 176.600 0.017 0.000 1.002 896 K CA -0.341 55.956 56.287 0.016 0.000 0.868 896 K CB 1.229 33.740 32.500 0.018 0.000 1.093 896 K HN 0.509 nan 8.250 nan 0.000 0.454 897 T N 3.208 117.768 114.554 0.011 0.000 2.771 897 T HA 0.276 4.627 4.350 0.001 0.000 0.291 897 T C -0.689 174.014 174.700 0.004 0.000 0.954 897 T CA -0.554 61.556 62.100 0.017 0.000 1.045 897 T CB 1.096 69.972 68.868 0.014 0.000 0.917 897 T HN 0.300 nan 8.240 nan 0.000 0.484 898 V N 3.977 123.904 119.914 0.022 0.000 2.409 898 V HA 0.495 4.616 4.120 0.001 0.000 0.291 898 V C 0.106 176.213 176.094 0.021 0.000 1.020 898 V CA -0.706 61.575 62.300 -0.033 0.000 0.848 898 V CB 1.863 33.668 31.823 -0.031 0.000 0.990 898 V HN 0.936 nan 8.190 nan 0.000 0.430 899 T N 5.778 120.296 114.554 -0.059 0.000 2.847 899 T HA 0.643 4.994 4.350 0.001 0.000 0.291 899 T C -0.740 173.966 174.700 0.011 0.000 0.998 899 T CA -0.141 61.999 62.100 0.067 0.000 0.967 899 T CB 0.489 69.386 68.868 0.048 0.000 0.954 899 T HN 0.270 nan 8.240 nan 0.000 0.441 900 F N 1.851 121.848 119.950 0.079 0.000 2.425 900 F HA 0.535 5.063 4.527 0.001 0.000 0.331 900 F C 0.812 176.705 175.800 0.154 0.000 1.085 900 F CA -1.190 56.878 58.000 0.114 0.000 1.028 900 F CB 1.175 40.258 39.000 0.138 0.000 1.177 900 F HN 0.420 nan 8.300 nan 0.000 0.487 901 E N 2.595 122.985 120.200 0.317 0.000 2.199 901 E HA 0.463 4.813 4.350 0.001 0.000 0.269 901 E C -1.662 175.117 176.600 0.299 0.000 0.899 901 E CA -0.540 55.990 56.400 0.217 0.000 0.772 901 E CB 1.619 31.372 29.700 0.088 0.000 1.155 901 E HN 0.618 nan 8.360 nan 0.000 0.408 902 Y N 0.000 120.346 120.300 0.077 0.000 2.660 902 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 902 Y CA 0.000 58.132 58.100 0.054 0.000 1.940 902 Y CB 0.000 38.486 38.460 0.043 0.000 1.050 902 Y HN 0.000 nan 8.280 nan 0.000 0.758