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 1z6a_1_A DATA FIRST_RESID 1 DATA SEQUENCE LVPRGSHMAX SKXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX SFQLLEPYNI KANLRPYQIK DATA SEQUENCE GFSWMRFMNK LGFGICLADD MGLGKTLQTI AVFSDAKKEN ELTPSLVICP DATA SEQUENCE LSVLKNWEEE LSKFAPHLRF AVFHEDRSKI KLEDYDIILT TYAVLLRDTR DATA SEQUENCE LKEVEWKYIV IDEAQNIKNP QTKIFKAVKE LKSKYRIALT GTPIENKVDD DATA SEQUENCE LWSIMTFLNP GLLGSYSEFK SKFATPIKKG DNMAKEELKA IISPFILRRT DATA SEQUENCE KYDKAIINDL PDKIETNVYC NLTPEQAAMY KAEVENLFNN IDSVTGIKRK DATA SEQUENCE GMILSTLLKL KQIVDHPALL KGGEQSVRRS GKMIRTMEII EEALDEGDKI DATA SEQUENCE AIFTQFVDMG KIIRNIIEKE LNTEVPFLYG ELSKKERDDI ISKFQNNPSV DATA SEQUENCE KFIVLSVKAG GFGINLTSAN RVIHFDRWWX XXXXDQATDR VYRIGQTRNV DATA SEQUENCE IVHKLISVGT LEEKIDQLLA FKRSLFKDII SSGDSWITEL STEELRKVIE DATA SEQUENCE LSVG 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.827 176.870 -0.072 0.000 1.165 1 L CA 0.000 54.728 54.840 -0.186 0.000 0.813 1 L CB 0.000 41.780 42.059 -0.466 0.000 0.961 2 V N -0.414 119.473 119.914 -0.045 0.000 2.540 2 V HA 0.758 4.879 4.120 0.001 0.000 0.297 2 V C -0.332 175.763 176.094 0.002 0.000 1.024 2 V CA 0.262 62.553 62.300 -0.016 0.000 1.105 2 V CB 0.553 32.366 31.823 -0.018 0.000 0.938 2 V HN 1.658 nan 8.190 nan 0.000 0.482 3 P HA 0.752 nan 4.420 nan 0.000 0.536 3 P C -0.505 176.805 177.300 0.016 0.000 0.843 3 P CA 0.625 63.739 63.100 0.023 0.000 2.084 3 P CB -0.188 31.537 31.700 0.042 0.000 1.933 4 R N 0.282 120.781 120.500 -0.001 0.000 2.437 4 R HA 0.863 5.204 4.340 0.001 0.000 0.310 4 R C 0.334 176.614 176.300 -0.034 0.000 0.955 4 R CA -0.001 56.086 56.100 -0.021 0.000 0.851 4 R CB 1.468 31.749 30.300 -0.032 0.000 1.161 4 R HN 0.810 nan 8.270 nan 0.000 0.446 5 G N 0.539 109.310 108.800 -0.048 0.000 2.335 5 G HA2 0.554 4.514 3.960 0.001 0.000 0.314 5 G HA3 0.554 4.514 3.960 0.001 0.000 0.314 5 G C 0.271 175.094 174.900 -0.127 0.000 1.129 5 G CA 0.599 45.661 45.100 -0.064 0.000 0.912 5 G HN 1.196 nan 8.290 nan 0.000 0.443 6 S N -0.476 115.147 115.700 -0.128 0.000 2.713 6 S HA 0.820 5.291 4.470 0.001 0.000 0.283 6 S C 0.310 174.769 174.600 -0.235 0.000 1.161 6 S CA -0.007 58.084 58.200 -0.181 0.000 0.999 6 S CB 0.750 63.874 63.200 -0.127 0.000 1.039 6 S HN 2.146 nan 8.310 nan 0.000 0.548 7 H N -1.014 117.875 119.070 -0.302 0.000 3.410 7 H HA 0.708 5.264 4.556 0.001 0.000 0.245 7 H C 0.361 175.508 175.328 -0.302 0.000 1.269 7 H CA 0.245 56.105 56.048 -0.313 0.000 1.402 7 H CB -1.457 27.986 29.762 -0.531 0.000 2.429 7 H HN 2.259 nan 8.280 nan 0.000 0.604 8 M N 0.643 120.125 119.600 -0.198 0.000 2.118 8 M HA 0.417 4.897 4.480 0.001 0.000 0.478 8 M C 1.044 177.150 176.300 -0.324 0.000 1.128 8 M CA 1.326 56.526 55.300 -0.167 0.000 0.621 8 M CB -1.902 30.670 32.600 -0.046 0.000 1.873 8 M HN 2.874 nan 8.290 nan 0.000 0.563 432 F N 1.133 120.995 119.950 -0.147 0.000 2.183 432 F HA -0.062 4.465 4.527 0.000 0.000 0.318 432 F C 0.196 175.882 175.800 -0.189 0.000 1.222 432 F CA 0.281 58.128 58.000 -0.254 0.000 0.912 432 F CB -0.396 38.421 39.000 -0.306 0.000 4.135 432 F HN 0.704 nan 8.300 nan 0.000 0.137 433 Q N 1.950 121.719 119.800 -0.052 0.000 2.613 433 Q HA 0.186 4.527 4.340 0.001 0.000 0.228 433 Q C -0.124 175.857 176.000 -0.031 0.000 1.318 433 Q CA 0.013 55.788 55.803 -0.047 0.000 0.907 433 Q CB -0.090 28.612 28.738 -0.060 0.000 1.593 433 Q HN 0.361 nan 8.270 nan 0.000 0.559 434 L N 4.647 125.872 121.223 0.003 0.000 2.450 434 L HA 0.053 4.394 4.340 0.001 0.000 0.256 434 L C 0.491 177.374 176.870 0.022 0.000 1.374 434 L CA -0.050 54.797 54.840 0.012 0.000 1.210 434 L CB -0.718 41.364 42.059 0.038 0.000 1.394 434 L HN 0.387 nan 8.230 nan 0.000 0.438 435 L N 1.169 122.362 121.223 -0.050 0.000 2.558 435 L HA -0.113 4.228 4.340 0.001 0.000 0.301 435 L C 0.785 177.808 176.870 0.256 0.000 1.267 435 L CA 0.510 55.363 54.840 0.023 0.000 0.854 435 L CB 0.019 41.937 42.059 -0.235 0.000 1.103 435 L HN 0.493 nan 8.230 nan 0.000 0.522 436 E N 4.741 125.093 120.200 0.255 0.000 2.109 436 E HA 0.283 4.634 4.350 0.001 0.000 0.278 436 E C -2.237 174.533 176.600 0.284 0.000 0.954 436 E CA -2.006 54.534 56.400 0.234 0.000 0.779 436 E CB 1.011 30.799 29.700 0.147 0.000 1.093 436 E HN 0.262 nan 8.360 nan 0.000 0.401 437 P HA -0.153 nan 4.420 nan 0.000 0.263 437 P C -0.684 176.694 177.300 0.130 0.000 1.175 437 P CA 0.246 63.327 63.100 -0.032 0.000 0.761 437 P CB 0.425 32.001 31.700 -0.207 0.000 0.794 438 Y N 3.493 123.791 120.300 -0.003 0.000 3.061 438 Y HA 0.055 4.606 4.550 0.001 0.000 0.515 438 Y C 1.312 177.223 175.900 0.017 0.000 1.442 438 Y CA -0.054 58.065 58.100 0.031 0.000 2.148 438 Y CB -0.620 37.875 38.460 0.058 0.000 1.741 438 Y HN 0.268 nan 8.280 nan 0.000 0.678 439 N N 2.111 120.616 118.700 -0.326 0.000 2.605 439 N HA 0.132 4.872 4.740 0.001 0.000 0.282 439 N C -1.247 174.273 175.510 0.016 0.000 1.206 439 N CA 0.646 53.554 53.050 -0.237 0.000 1.074 439 N CB -0.868 37.438 38.487 -0.301 0.000 1.434 439 N HN 0.325 nan 8.380 nan 0.000 0.506 440 I N 1.668 122.238 120.570 0.000 0.000 2.476 440 I HA 0.119 4.289 4.170 0.001 0.000 0.281 440 I C -0.231 175.887 176.117 0.002 0.000 1.040 440 I CA -0.909 60.395 61.300 0.006 0.000 1.094 440 I CB 1.440 39.386 38.000 -0.089 0.000 1.219 440 I HN -0.193 nan 8.210 nan 0.000 0.450 441 K N 5.667 126.119 120.400 0.086 0.000 2.146 441 K HA 0.510 4.831 4.320 0.001 0.000 0.220 441 K C -0.295 176.355 176.600 0.085 0.000 1.227 441 K CA 0.017 56.368 56.287 0.108 0.000 1.185 441 K CB -0.122 32.479 32.500 0.169 0.000 1.333 441 K HN 0.661 nan 8.250 nan 0.000 0.242 442 A N 1.495 124.291 122.820 -0.040 0.000 2.549 442 A HA 0.372 4.692 4.320 0.001 0.000 0.297 442 A C -1.475 176.032 177.584 -0.129 0.000 0.983 442 A CA -1.154 50.815 52.037 -0.113 0.000 0.654 442 A CB 0.537 19.336 19.000 -0.335 0.000 1.319 442 A HN 0.410 nan 8.150 nan 0.000 0.428 443 N N 0.858 119.492 118.700 -0.110 0.000 3.091 443 N HA 0.484 5.225 4.740 0.001 0.000 0.255 443 N C -0.925 174.507 175.510 -0.129 0.000 1.204 443 N CA -0.302 52.691 53.050 -0.095 0.000 0.990 443 N CB 0.367 38.823 38.487 -0.051 0.000 1.260 443 N HN 0.532 nan 8.380 nan 0.000 0.502 444 L N 1.535 122.648 121.223 -0.183 0.000 2.628 444 L HA -0.025 4.316 4.340 0.001 0.000 0.274 444 L C 0.982 177.735 176.870 -0.195 0.000 1.209 444 L CA 0.530 55.230 54.840 -0.234 0.000 0.930 444 L CB -0.224 41.675 42.059 -0.266 0.000 1.183 444 L HN 0.297 nan 8.230 nan 0.000 0.492 445 R N 6.133 126.496 120.500 -0.229 0.000 2.756 445 R HA -0.011 4.329 4.340 0.001 0.000 0.264 445 R C -1.080 175.112 176.300 -0.181 0.000 1.026 445 R CA -0.566 55.450 56.100 -0.140 0.000 1.121 445 R CB -0.332 29.962 30.300 -0.010 0.000 0.999 445 R HN 0.500 nan 8.270 nan 0.000 0.449 446 P HA -0.297 nan 4.420 nan 0.000 0.215 446 P C 1.037 178.317 177.300 -0.034 0.000 1.163 446 P CA 1.884 64.977 63.100 -0.013 0.000 0.894 446 P CB -0.290 31.435 31.700 0.040 0.000 0.791 447 Y N 0.480 120.778 120.300 -0.004 0.000 2.365 447 Y HA -0.176 4.375 4.550 0.001 0.000 0.287 447 Y C 2.202 178.109 175.900 0.012 0.000 1.162 447 Y CA 1.239 59.333 58.100 -0.010 0.000 1.260 447 Y CB -1.763 36.680 38.460 -0.028 0.000 0.976 447 Y HN 0.061 nan 8.280 nan 0.000 0.548 448 Q N 0.388 119.746 119.800 -0.736 0.000 2.165 448 Q HA 0.064 4.404 4.340 0.001 0.000 0.197 448 Q C 2.347 178.292 176.000 -0.091 0.000 0.952 448 Q CA 1.198 56.699 55.803 -0.505 0.000 0.848 448 Q CB -0.020 28.333 28.738 -0.641 0.000 0.931 448 Q HN 0.567 nan 8.270 nan 0.000 0.470 449 I N 1.288 121.833 120.570 -0.043 0.000 2.264 449 I HA -0.320 3.850 4.170 0.001 0.000 0.248 449 I C 2.062 178.312 176.117 0.222 0.000 1.111 449 I CA 1.354 62.773 61.300 0.198 0.000 1.382 449 I CB -0.231 37.842 38.000 0.121 0.000 1.060 449 I HN 0.162 nan 8.210 nan 0.000 0.418 450 K N 0.895 121.351 120.400 0.094 0.000 1.965 450 K HA -0.085 4.235 4.320 0.001 0.000 0.214 450 K C 2.262 178.939 176.600 0.128 0.000 1.042 450 K CA 1.490 57.820 56.287 0.072 0.000 0.950 450 K CB -0.919 31.601 32.500 0.032 0.000 0.733 450 K HN 0.356 nan 8.250 nan 0.000 0.441 451 G N 2.003 110.887 108.800 0.139 0.000 2.606 451 G HA2 -0.346 3.615 3.960 0.001 0.000 0.221 451 G HA3 -0.346 3.615 3.960 0.001 0.000 0.221 451 G C 1.394 176.475 174.900 0.302 0.000 1.152 451 G CA 1.437 46.675 45.100 0.231 0.000 0.765 451 G HN 0.351 nan 8.290 nan 0.000 0.595 452 F N 2.535 122.534 119.950 0.081 0.000 2.065 452 F HA -0.165 4.362 4.527 0.001 0.000 0.298 452 F C 2.732 178.595 175.800 0.105 0.000 1.112 452 F CA 2.055 60.087 58.000 0.054 0.000 1.212 452 F CB -0.828 38.165 39.000 -0.011 0.000 0.975 452 F HN 0.175 nan 8.300 nan 0.000 0.476 453 S N -0.108 115.353 115.700 -0.398 0.000 2.345 453 S HA -0.235 4.235 4.470 0.001 0.000 0.220 453 S C 1.596 176.179 174.600 -0.029 0.000 1.031 453 S CA 1.146 59.077 58.200 -0.449 0.000 0.996 453 S CB -1.361 61.679 63.200 -0.267 0.000 0.882 453 S HN 0.728 nan 8.310 nan 0.000 0.445 454 W N 2.470 123.738 121.300 -0.052 0.000 2.305 454 W HA -0.230 4.430 4.660 0.001 0.000 0.308 454 W C 2.063 178.677 176.519 0.158 0.000 1.226 454 W CA 1.718 59.101 57.345 0.062 0.000 1.253 454 W CB -0.461 28.996 29.460 -0.005 0.000 1.146 454 W HN 0.206 nan 8.180 nan 0.000 0.507 455 M N -0.188 119.436 119.600 0.040 0.000 2.059 455 M HA -0.233 4.248 4.480 0.001 0.000 0.259 455 M C 2.406 178.659 176.300 -0.078 0.000 1.072 455 M CA 1.754 56.963 55.300 -0.152 0.000 1.117 455 M CB -0.853 31.804 32.600 0.094 0.000 1.320 455 M HN -0.142 nan 8.290 nan 0.000 0.408 456 R N -0.036 120.466 120.500 0.004 0.000 2.113 456 R HA -0.200 4.141 4.340 0.001 0.000 0.244 456 R C 2.119 178.474 176.300 0.092 0.000 1.142 456 R CA 1.874 58.002 56.100 0.048 0.000 0.953 456 R CB -1.036 29.222 30.300 -0.070 0.000 0.860 456 R HN 0.314 nan 8.270 nan 0.000 0.438 457 F N 1.544 121.443 119.950 -0.086 0.000 2.011 457 F HA -0.273 4.255 4.527 0.001 0.000 0.296 457 F C 2.318 178.093 175.800 -0.041 0.000 1.144 457 F CA 1.725 59.706 58.000 -0.032 0.000 1.185 457 F CB -0.510 38.506 39.000 0.026 0.000 0.961 457 F HN -0.091 nan 8.300 nan 0.000 0.485 458 M N 0.524 119.931 119.600 -0.322 0.000 2.267 458 M HA -0.217 4.264 4.480 0.001 0.000 0.263 458 M C 1.718 177.942 176.300 -0.126 0.000 1.063 458 M CA 1.170 56.256 55.300 -0.356 0.000 1.090 458 M CB -1.647 30.650 32.600 -0.504 0.000 1.392 458 M HN 0.279 nan 8.290 nan 0.000 0.422 459 N N 0.999 119.672 118.700 -0.046 0.000 2.109 459 N HA -0.089 4.651 4.740 0.001 0.000 0.188 459 N C 1.629 177.217 175.510 0.130 0.000 1.034 459 N CA 1.184 54.301 53.050 0.112 0.000 0.846 459 N CB -0.299 38.352 38.487 0.274 0.000 1.010 459 N HN 0.411 nan 8.380 nan 0.000 0.425 460 K N 0.449 120.935 120.400 0.142 0.000 2.063 460 K HA -0.081 4.239 4.320 0.001 0.000 0.208 460 K C 1.740 178.319 176.600 -0.034 0.000 1.048 460 K CA 0.714 57.077 56.287 0.127 0.000 0.928 460 K CB -0.216 32.349 32.500 0.109 0.000 0.713 460 K HN -0.006 nan 8.250 nan 0.000 0.442 461 L N -0.094 121.061 121.223 -0.114 0.000 2.353 461 L HA -0.064 4.276 4.340 0.001 0.000 0.220 461 L C 1.272 178.036 176.870 -0.177 0.000 1.133 461 L CA 1.878 56.648 54.840 -0.117 0.000 0.798 461 L CB -0.498 41.475 42.059 -0.143 0.000 0.922 461 L HN 0.557 nan 8.230 nan 0.000 0.445 462 G N -2.813 105.838 108.800 -0.249 0.000 2.144 462 G HA2 -0.265 3.695 3.960 0.001 0.000 0.218 462 G HA3 -0.265 3.695 3.960 0.001 0.000 0.218 462 G C 0.190 174.700 174.900 -0.649 0.000 0.988 462 G CA -0.151 44.665 45.100 -0.473 0.000 0.659 462 G HN 0.181 nan 8.290 nan 0.000 0.522 463 F N 0.729 120.575 119.950 -0.174 0.000 2.458 463 F HA 0.678 5.206 4.527 0.001 0.000 0.330 463 F C 1.021 176.717 175.800 -0.173 0.000 1.082 463 F CA -0.189 57.720 58.000 -0.151 0.000 0.995 463 F CB 1.862 40.900 39.000 0.064 0.000 1.170 463 F HN 0.184 nan 8.300 nan 0.000 0.478 464 G N 1.556 110.312 108.800 -0.074 0.000 2.389 464 G HA2 0.636 4.597 3.960 0.001 0.000 0.317 464 G HA3 0.636 4.597 3.960 0.001 0.000 0.317 464 G C -1.332 173.571 174.900 0.006 0.000 1.137 464 G CA -0.482 44.549 45.100 -0.114 0.000 0.870 464 G HN 0.510 nan 8.290 nan 0.000 0.496 465 I N -1.013 119.592 120.570 0.059 0.000 2.865 465 I HA 0.614 4.784 4.170 0.001 0.000 0.302 465 I C -0.516 175.749 176.117 0.247 0.000 1.140 465 I CA -1.952 59.456 61.300 0.179 0.000 1.021 465 I CB 1.483 39.482 38.000 -0.002 0.000 1.233 465 I HN 0.461 nan 8.210 nan 0.000 0.427 466 C N 5.088 124.584 119.300 0.327 0.000 2.303 466 C HA 0.796 5.257 4.460 0.001 0.000 0.326 466 C C -0.510 174.667 174.990 0.312 0.000 1.285 466 C CA -0.511 58.679 59.018 0.287 0.000 1.675 466 C CB 0.290 28.173 27.740 0.237 0.000 2.289 466 C HN 0.839 nan 8.230 nan 0.000 0.512 467 L N 6.709 128.092 121.223 0.266 0.000 2.264 467 L HA 0.625 4.965 4.340 0.001 0.000 0.287 467 L C 0.574 177.541 176.870 0.160 0.000 1.039 467 L CA 0.205 55.184 54.840 0.232 0.000 0.829 467 L CB 1.058 43.253 42.059 0.225 0.000 1.211 467 L HN 0.842 nan 8.230 nan 0.000 0.427 468 A N 3.534 126.429 122.820 0.124 0.000 2.827 468 A HA 0.321 4.641 4.320 0.001 0.000 0.300 468 A C -0.120 177.503 177.584 0.065 0.000 1.237 468 A CA -0.571 51.523 52.037 0.095 0.000 0.964 468 A CB -0.705 18.348 19.000 0.090 0.000 1.143 468 A HN 0.662 nan 8.150 nan 0.000 0.554 469 D N 1.511 121.950 120.400 0.065 0.000 2.424 469 D HA 0.115 4.755 4.640 0.001 0.000 0.244 469 D C -0.367 175.948 176.300 0.025 0.000 1.134 469 D CA 0.327 54.349 54.000 0.037 0.000 0.881 469 D CB 0.666 41.505 40.800 0.066 0.000 1.191 469 D HN 0.257 nan 8.370 nan 0.000 0.445 470 D N 1.055 121.451 120.400 -0.007 0.000 2.667 470 D HA -0.114 4.526 4.640 0.001 0.000 0.226 470 D C 0.642 176.944 176.300 0.003 0.000 1.137 470 D CA 0.414 54.407 54.000 -0.010 0.000 0.855 470 D CB 0.248 41.010 40.800 -0.065 0.000 1.194 470 D HN 0.327 nan 8.370 nan 0.000 0.492 471 M N 1.614 121.228 119.600 0.024 0.000 2.284 471 M HA 0.215 4.696 4.480 0.001 0.000 0.351 471 M C 0.945 177.274 176.300 0.049 0.000 1.443 471 M CA 1.070 56.396 55.300 0.043 0.000 1.031 471 M CB 0.013 32.644 32.600 0.052 0.000 1.893 471 M HN 0.605 nan 8.290 nan 0.000 0.456 472 G N 3.956 112.783 108.800 0.046 0.000 2.205 472 G HA2 -0.168 3.792 3.960 0.001 0.000 0.180 472 G HA3 -0.168 3.792 3.960 0.001 0.000 0.180 472 G C 0.182 175.088 174.900 0.009 0.000 1.004 472 G CA 0.091 45.206 45.100 0.026 0.000 0.670 472 G HN 0.679 nan 8.290 nan 0.000 0.496 473 L N 0.961 122.201 121.223 0.030 0.000 2.667 473 L HA 0.456 4.796 4.340 0.001 0.000 0.232 473 L C 1.595 178.541 176.870 0.126 0.000 1.138 473 L CA 0.354 55.256 54.840 0.103 0.000 0.921 473 L CB -0.080 42.026 42.059 0.079 0.000 1.180 473 L HN 0.922 nan 8.230 nan 0.000 0.487 474 G N 1.687 110.509 108.800 0.036 0.000 2.462 474 G HA2 -0.265 3.696 3.960 0.001 0.000 0.283 474 G HA3 -0.265 3.696 3.960 0.001 0.000 0.283 474 G C 0.659 175.532 174.900 -0.045 0.000 1.043 474 G CA 0.125 45.208 45.100 -0.028 0.000 1.300 474 G HN 0.416 nan 8.290 nan 0.000 0.518 475 K N -0.399 119.982 120.400 -0.033 0.000 2.217 475 K HA -0.033 4.287 4.320 0.001 0.000 0.202 475 K C 2.507 179.049 176.600 -0.096 0.000 1.051 475 K CA 1.507 57.785 56.287 -0.015 0.000 0.952 475 K CB 0.027 32.544 32.500 0.029 0.000 0.736 475 K HN 0.463 nan 8.250 nan 0.000 0.453 476 T N 2.002 116.429 114.554 -0.211 0.000 2.857 476 T HA -0.091 4.260 4.350 0.001 0.000 0.266 476 T C 1.728 176.248 174.700 -0.300 0.000 1.048 476 T CA 0.668 62.514 62.100 -0.425 0.000 1.139 476 T CB -0.113 68.292 68.868 -0.772 0.000 0.874 476 T HN 0.068 nan 8.240 nan 0.000 0.455 477 L N 1.600 122.685 121.223 -0.230 0.000 1.994 477 L HA -0.091 4.249 4.340 0.001 0.000 0.208 477 L C 2.437 179.160 176.870 -0.244 0.000 1.071 477 L CA 1.786 56.468 54.840 -0.263 0.000 0.745 477 L CB -0.906 40.931 42.059 -0.370 0.000 0.892 477 L HN 0.236 nan 8.230 nan 0.000 0.431 478 Q N -1.213 118.472 119.800 -0.192 0.000 2.112 478 Q HA -0.211 4.129 4.340 0.001 0.000 0.206 478 Q C 1.906 177.854 176.000 -0.087 0.000 0.987 478 Q CA 2.208 57.941 55.803 -0.118 0.000 0.858 478 Q CB -0.566 28.164 28.738 -0.013 0.000 0.905 478 Q HN 0.558 nan 8.270 nan 0.000 0.420 479 T N 0.830 115.308 114.554 -0.128 0.000 2.915 479 T HA -0.081 4.269 4.350 0.001 0.000 0.269 479 T C 1.716 176.203 174.700 -0.355 0.000 1.071 479 T CA 0.673 62.629 62.100 -0.240 0.000 1.132 479 T CB -0.060 68.700 68.868 -0.179 0.000 0.878 479 T HN 0.068 nan 8.240 nan 0.000 0.479 480 I N 1.820 122.306 120.570 -0.141 0.000 2.163 480 I HA -0.056 4.114 4.170 0.001 0.000 0.240 480 I C 2.702 178.827 176.117 0.013 0.000 1.081 480 I CA 0.817 62.151 61.300 0.057 0.000 1.353 480 I CB -1.004 37.046 38.000 0.082 0.000 1.054 480 I HN 0.170 nan 8.210 nan 0.000 0.407 481 A N 0.029 122.744 122.820 -0.175 0.000 1.873 481 A HA -0.221 4.099 4.320 0.001 0.000 0.218 481 A C 2.454 180.050 177.584 0.021 0.000 1.193 481 A CA 2.434 54.245 52.037 -0.376 0.000 0.629 481 A CB -1.330 16.979 19.000 -1.152 0.000 0.826 481 A HN 0.260 nan 8.150 nan 0.000 0.447 482 V N -0.981 119.041 119.914 0.179 0.000 2.324 482 V HA -0.292 3.828 4.120 0.001 0.000 0.250 482 V C 2.367 178.507 176.094 0.077 0.000 1.060 482 V CA 2.231 64.668 62.300 0.228 0.000 1.042 482 V CB -1.050 30.763 31.823 -0.017 0.000 0.650 482 V HN 0.525 nan 8.190 nan 0.000 0.450 483 F N 0.391 120.280 119.950 -0.102 0.000 2.146 483 F HA -0.110 4.417 4.527 0.001 0.000 0.298 483 F C 2.813 178.601 175.800 -0.021 0.000 1.096 483 F CA 1.510 59.416 58.000 -0.157 0.000 1.275 483 F CB -1.211 37.747 39.000 -0.070 0.000 1.008 483 F HN 0.182 nan 8.300 nan 0.000 0.480 484 S N -0.613 115.242 115.700 0.259 0.000 2.368 484 S HA -0.188 4.282 4.470 0.001 0.000 0.224 484 S C 2.050 176.768 174.600 0.196 0.000 1.029 484 S CA 1.424 59.769 58.200 0.243 0.000 0.988 484 S CB -0.526 62.821 63.200 0.246 0.000 0.838 484 S HN 0.431 nan 8.310 nan 0.000 0.462 485 D N 0.530 121.058 120.400 0.213 0.000 2.310 485 D HA 0.022 4.663 4.640 0.001 0.000 0.212 485 D C 1.425 177.760 176.300 0.059 0.000 0.965 485 D CA 0.975 55.067 54.000 0.154 0.000 0.879 485 D CB -0.088 40.937 40.800 0.375 0.000 0.921 485 D HN 0.503 nan 8.370 nan 0.000 0.510 486 A N -0.032 122.840 122.820 0.088 0.000 2.308 486 A HA 0.087 4.408 4.320 0.001 0.000 0.217 486 A C 1.903 179.514 177.584 0.046 0.000 1.216 486 A CA 0.203 52.276 52.037 0.061 0.000 0.864 486 A CB 0.125 19.196 19.000 0.119 0.000 0.902 486 A HN 0.066 nan 8.150 nan 0.000 0.499 487 K N 1.519 121.943 120.400 0.041 0.000 2.141 487 K HA 0.009 4.329 4.320 0.001 0.000 0.202 487 K C 1.684 178.274 176.600 -0.018 0.000 1.045 487 K CA 1.464 57.782 56.287 0.051 0.000 0.971 487 K CB -0.234 32.344 32.500 0.130 0.000 0.795 487 K HN 0.306 nan 8.250 nan 0.000 0.459 488 K N 0.283 120.580 120.400 -0.171 0.000 2.643 488 K HA -0.032 4.288 4.320 0.001 0.000 0.193 488 K C 0.339 176.840 176.600 -0.164 0.000 1.027 488 K CA 1.176 57.265 56.287 -0.329 0.000 1.033 488 K CB 0.113 32.059 32.500 -0.924 0.000 0.827 488 K HN 0.203 nan 8.250 nan 0.000 0.500 489 E N 0.410 120.565 120.200 -0.075 0.000 2.715 489 E HA 0.020 4.370 4.350 0.001 0.000 0.224 489 E C -0.822 175.780 176.600 0.003 0.000 0.962 489 E CA -0.288 56.093 56.400 -0.031 0.000 1.145 489 E CB 0.389 30.078 29.700 -0.018 0.000 1.083 489 E HN 0.384 nan 8.360 nan 0.000 0.506 490 N N 1.793 120.500 118.700 0.011 0.000 2.756 490 N HA -0.189 4.551 4.740 0.001 0.000 0.248 490 N C -0.430 175.110 175.510 0.050 0.000 1.062 490 N CA 1.024 54.092 53.050 0.030 0.000 0.696 490 N CB -0.664 37.837 38.487 0.023 0.000 0.946 490 N HN 0.284 nan 8.380 nan 0.000 0.548 491 E N -1.178 119.056 120.200 0.056 0.000 2.759 491 E HA 0.136 4.487 4.350 0.001 0.000 0.220 491 E C 0.677 177.349 176.600 0.120 0.000 0.974 491 E CA -0.226 56.223 56.400 0.080 0.000 1.148 491 E CB 0.478 30.179 29.700 0.003 0.000 1.059 491 E HN 0.307 nan 8.360 nan 0.000 0.493 492 L N 0.050 121.339 121.223 0.110 0.000 2.356 492 L HA 0.238 4.578 4.340 0.001 0.000 0.193 492 L C 0.708 177.636 176.870 0.096 0.000 1.087 492 L CA 1.336 56.245 54.840 0.115 0.000 0.817 492 L CB 0.324 42.405 42.059 0.037 0.000 1.035 492 L HN -0.192 nan 8.230 nan 0.000 0.482 493 T N 4.199 118.794 114.554 0.068 0.000 2.761 493 T HA 0.248 4.598 4.350 0.001 0.000 0.287 493 T C -2.450 172.287 174.700 0.063 0.000 0.931 493 T CA -0.631 61.506 62.100 0.061 0.000 1.164 493 T CB 0.208 69.098 68.868 0.038 0.000 0.876 493 T HN 0.276 nan 8.240 nan 0.000 0.534 494 P HA 0.576 nan 4.420 nan 0.000 0.295 494 P C -1.089 176.392 177.300 0.301 0.000 1.319 494 P CA -0.810 62.379 63.100 0.149 0.000 0.940 494 P CB 1.912 33.661 31.700 0.081 0.000 1.192 495 S N 0.742 116.597 115.700 0.259 0.000 2.599 495 S HA 0.648 5.119 4.470 0.001 0.000 0.294 495 S C -0.805 173.827 174.600 0.053 0.000 1.094 495 S CA -0.499 57.836 58.200 0.224 0.000 0.931 495 S CB 1.025 64.213 63.200 -0.021 0.000 1.093 495 S HN 0.464 nan 8.310 nan 0.000 0.488 496 L N 2.367 123.466 121.223 -0.207 0.000 2.362 496 L HA 0.803 5.143 4.340 0.001 0.000 0.271 496 L C -1.519 175.134 176.870 -0.362 0.000 1.002 496 L CA -0.474 53.998 54.840 -0.614 0.000 0.818 496 L CB 1.696 42.873 42.059 -1.471 0.000 1.298 496 L HN 0.435 nan 8.230 nan 0.000 0.420 497 V N 6.390 126.056 119.914 -0.413 0.000 2.443 497 V HA 0.451 4.572 4.120 0.001 0.000 0.293 497 V C -0.116 175.700 176.094 -0.463 0.000 1.021 497 V CA -0.332 61.707 62.300 -0.434 0.000 0.848 497 V CB 1.521 32.904 31.823 -0.732 0.000 0.998 497 V HN 0.610 nan 8.190 nan 0.000 0.424 498 I N 5.560 125.899 120.570 -0.386 0.000 2.361 498 I HA 0.335 4.505 4.170 0.001 0.000 0.282 498 I C 0.203 176.024 176.117 -0.494 0.000 1.075 498 I CA -0.190 60.858 61.300 -0.418 0.000 1.205 498 I CB 0.513 38.307 38.000 -0.343 0.000 1.406 498 I HN 0.724 nan 8.210 nan 0.000 0.481 499 C N 3.866 122.885 119.300 -0.469 0.000 2.454 499 C HA 0.727 5.188 4.460 0.001 0.000 0.336 499 C C -2.651 172.112 174.990 -0.379 0.000 1.189 499 C CA -2.611 56.213 59.018 -0.323 0.000 1.877 499 C CB 1.397 29.103 27.740 -0.056 0.000 2.348 499 C HN 0.339 nan 8.230 nan 0.000 0.508 500 P HA 0.093 nan 4.420 nan 0.000 0.271 500 P C 1.266 178.537 177.300 -0.049 0.000 1.216 500 P CA -0.069 62.955 63.100 -0.126 0.000 0.776 500 P CB 0.457 32.181 31.700 0.039 0.000 0.881 501 L N 2.241 123.438 121.223 -0.042 0.000 2.058 501 L HA -0.377 3.963 4.340 0.001 0.000 0.226 501 L C 1.966 178.845 176.870 0.015 0.000 1.089 501 L CA 2.574 57.404 54.840 -0.016 0.000 0.799 501 L CB -0.789 41.267 42.059 -0.005 0.000 0.900 501 L HN 0.459 nan 8.230 nan 0.000 0.442 502 S N -0.317 115.405 115.700 0.037 0.000 2.389 502 S HA -0.288 4.183 4.470 0.001 0.000 0.229 502 S C 1.763 176.420 174.600 0.094 0.000 1.048 502 S CA 2.164 60.406 58.200 0.070 0.000 1.117 502 S CB -1.482 61.760 63.200 0.069 0.000 1.020 502 S HN 0.563 nan 8.310 nan 0.000 0.430 503 V N 0.864 120.840 119.914 0.103 0.000 2.970 503 V HA 0.114 4.235 4.120 0.001 0.000 0.260 503 V C 2.041 178.242 176.094 0.179 0.000 1.100 503 V CA 1.280 63.662 62.300 0.137 0.000 1.122 503 V CB -1.176 30.749 31.823 0.171 0.000 0.721 503 V HN 0.457 nan 8.190 nan 0.000 0.483 504 L N 0.068 121.368 121.223 0.127 0.000 2.137 504 L HA -0.241 4.100 4.340 0.001 0.000 0.213 504 L C 2.598 179.485 176.870 0.028 0.000 1.085 504 L CA 2.431 57.331 54.840 0.100 0.000 0.760 504 L CB -0.292 41.771 42.059 0.008 0.000 0.893 504 L HN 0.401 nan 8.230 nan 0.000 0.434 505 K N 0.387 120.707 120.400 -0.133 0.000 2.031 505 K HA -0.130 4.190 4.320 0.001 0.000 0.205 505 K C 1.667 178.085 176.600 -0.303 0.000 1.049 505 K CA 2.014 58.074 56.287 -0.379 0.000 0.939 505 K CB -0.246 31.659 32.500 -0.992 0.000 0.717 505 K HN 0.421 nan 8.250 nan 0.000 0.438 506 N N -0.651 117.934 118.700 -0.191 0.000 2.094 506 N HA -0.188 4.552 4.740 0.001 0.000 0.191 506 N C 1.421 176.848 175.510 -0.139 0.000 1.023 506 N CA 1.855 54.854 53.050 -0.084 0.000 0.857 506 N CB -0.244 38.216 38.487 -0.045 0.000 1.013 506 N HN 0.245 nan 8.380 nan 0.000 0.426 507 W N 1.615 122.841 121.300 -0.123 0.000 2.352 507 W HA -0.095 4.566 4.660 0.001 0.000 0.322 507 W C 2.381 178.716 176.519 -0.307 0.000 1.208 507 W CA 0.950 58.195 57.345 -0.167 0.000 1.286 507 W CB -0.380 28.983 29.460 -0.162 0.000 1.167 507 W HN 0.083 nan 8.180 nan 0.000 0.469 508 E N 0.036 120.201 120.200 -0.059 0.000 2.086 508 E HA -0.339 4.011 4.350 0.001 0.000 0.200 508 E C 1.884 178.394 176.600 -0.149 0.000 1.012 508 E CA 1.730 57.983 56.400 -0.245 0.000 0.812 508 E CB -0.645 29.114 29.700 0.099 0.000 0.743 508 E HN 0.452 nan 8.360 nan 0.000 0.453 509 E N 0.916 121.051 120.200 -0.109 0.000 2.086 509 E HA -0.282 4.069 4.350 0.001 0.000 0.200 509 E C 1.844 178.318 176.600 -0.210 0.000 1.012 509 E CA 1.730 58.060 56.400 -0.118 0.000 0.812 509 E CB 0.060 29.701 29.700 -0.097 0.000 0.743 509 E HN 0.348 nan 8.360 nan 0.000 0.453 510 E N -0.320 119.748 120.200 -0.220 0.000 2.122 510 E HA -0.105 4.245 4.350 0.001 0.000 0.190 510 E C 2.170 178.686 176.600 -0.140 0.000 0.977 510 E CA 0.101 56.334 56.400 -0.279 0.000 0.820 510 E CB 0.116 29.796 29.700 -0.032 0.000 0.770 510 E HN 0.200 nan 8.360 nan 0.000 0.462 511 L N 1.521 122.660 121.223 -0.140 0.000 1.948 511 L HA -0.197 4.143 4.340 0.001 0.000 0.212 511 L C 2.759 179.642 176.870 0.021 0.000 1.074 511 L CA 2.279 57.065 54.840 -0.090 0.000 0.753 511 L CB -1.821 39.937 42.059 -0.501 0.000 0.888 511 L HN 0.185 nan 8.230 nan 0.000 0.432 512 S N -0.611 115.149 115.700 0.100 0.000 2.400 512 S HA -0.319 4.151 4.470 0.001 0.000 0.234 512 S C 1.958 176.568 174.600 0.016 0.000 1.049 512 S CA 1.941 60.273 58.200 0.220 0.000 1.039 512 S CB -0.429 62.943 63.200 0.287 0.000 0.856 512 S HN 0.471 nan 8.310 nan 0.000 0.465 513 K N 0.170 120.494 120.400 -0.126 0.000 2.017 513 K HA 0.057 4.377 4.320 0.001 0.000 0.207 513 K C 1.842 178.364 176.600 -0.130 0.000 1.035 513 K CA 1.074 57.221 56.287 -0.233 0.000 0.947 513 K CB -0.337 31.848 32.500 -0.525 0.000 0.749 513 K HN 0.345 nan 8.250 nan 0.000 0.443 514 F N 1.091 121.034 119.950 -0.011 0.000 2.102 514 F HA 0.018 4.545 4.527 0.000 0.000 0.298 514 F C 1.418 177.220 175.800 0.004 0.000 1.105 514 F CA 0.910 58.900 58.000 -0.016 0.000 1.239 514 F CB -0.456 38.523 39.000 -0.035 0.000 0.991 514 F HN 0.093 nan 8.300 nan 0.000 0.474 515 A N -0.136 122.819 122.820 0.224 0.000 3.165 515 A HA 0.465 4.785 4.320 0.001 0.000 0.331 515 A C -1.850 175.807 177.584 0.121 0.000 1.034 515 A CA -1.117 51.027 52.037 0.179 0.000 0.906 515 A CB -0.396 18.730 19.000 0.210 0.000 1.054 515 A HN 0.020 nan 8.150 nan 0.000 0.484 516 P HA -0.193 nan 4.420 nan 0.000 0.215 516 P C 0.811 178.068 177.300 -0.072 0.000 1.153 516 P CA 1.189 64.237 63.100 -0.088 0.000 0.853 516 P CB -0.090 31.444 31.700 -0.276 0.000 0.788 517 H N -1.418 117.710 119.070 0.096 0.000 2.571 517 H HA 0.083 4.640 4.556 0.001 0.000 0.283 517 H C 0.188 175.587 175.328 0.118 0.000 1.075 517 H CA 0.386 56.485 56.048 0.086 0.000 1.191 517 H CB -0.633 29.163 29.762 0.055 0.000 1.309 517 H HN 0.148 nan 8.280 nan 0.000 0.628 518 L N 1.681 123.034 121.223 0.217 0.000 2.342 518 L HA 0.245 4.585 4.340 0.001 0.000 0.276 518 L C 0.002 177.031 176.870 0.266 0.000 0.997 518 L CA -0.599 54.373 54.840 0.221 0.000 0.838 518 L CB 1.419 43.605 42.059 0.211 0.000 1.224 518 L HN -0.140 nan 8.230 nan 0.000 0.416 519 R N 4.333 124.968 120.500 0.225 0.000 2.351 519 R HA 0.327 4.667 4.340 0.001 0.000 0.318 519 R C -0.879 175.608 176.300 0.310 0.000 1.055 519 R CA 0.109 56.364 56.100 0.258 0.000 0.968 519 R CB -0.063 30.411 30.300 0.291 0.000 0.974 519 R HN 0.500 nan 8.270 nan 0.000 0.439 520 F N 0.013 119.983 119.950 0.032 0.000 2.611 520 F HA 0.871 5.398 4.527 0.000 0.000 0.324 520 F C -1.020 174.573 175.800 -0.344 0.000 1.061 520 F CA -1.487 56.440 58.000 -0.123 0.000 0.954 520 F CB 1.717 40.672 39.000 -0.075 0.000 1.301 520 F HN 0.429 nan 8.300 nan 0.000 0.482 521 A N 1.711 124.383 122.820 -0.247 0.000 2.513 521 A HA 0.580 4.900 4.320 0.001 0.000 0.296 521 A C -1.606 175.881 177.584 -0.162 0.000 1.052 521 A CA -0.625 51.160 52.037 -0.419 0.000 0.714 521 A CB 1.054 19.496 19.000 -0.930 0.000 1.279 521 A HN 1.438 nan 8.150 nan 0.000 0.397 522 V N 2.194 122.041 119.914 -0.111 0.000 2.881 522 V HA 0.684 4.804 4.120 0.001 0.000 0.303 522 V C -0.761 175.224 176.094 -0.182 0.000 1.070 522 V CA -0.023 62.218 62.300 -0.099 0.000 1.074 522 V CB 1.182 32.967 31.823 -0.063 0.000 1.012 522 V HN 1.109 nan 8.190 nan 0.000 0.482 523 F N 6.443 126.194 119.950 -0.331 0.000 2.691 523 F HA 0.555 5.082 4.527 0.000 0.000 0.371 523 F C 0.222 175.855 175.800 -0.278 0.000 1.159 523 F CA -0.738 57.054 58.000 -0.347 0.000 1.174 523 F CB 0.154 39.056 39.000 -0.164 0.000 1.419 523 F HN 0.880 nan 8.300 nan 0.000 0.514 524 H N 2.238 121.112 119.070 -0.327 0.000 3.014 524 H HA 0.320 4.876 4.556 0.000 0.000 0.152 524 H C 0.816 175.884 175.328 -0.433 0.000 1.504 524 H CA -0.015 55.861 56.048 -0.288 0.000 1.589 524 H CB -0.676 28.979 29.762 -0.179 0.000 1.313 524 H HN 0.489 nan 8.280 nan 0.000 0.770 525 E N 0.999 121.179 120.200 -0.034 0.000 4.252 525 E HA -0.105 4.246 4.350 0.001 0.000 0.504 525 E C -0.162 176.314 176.600 -0.207 0.000 1.537 525 E CA 0.026 56.354 56.400 -0.121 0.000 3.138 525 E CB -0.377 29.274 29.700 -0.082 0.000 1.223 525 E HN 0.753 nan 8.360 nan 0.000 0.580 526 D N 0.539 120.873 120.400 -0.111 0.000 3.040 526 D HA -0.250 4.390 4.640 0.001 0.000 0.193 526 D C 0.782 177.022 176.300 -0.100 0.000 1.073 526 D CA 0.578 54.533 54.000 -0.075 0.000 0.751 526 D CB 0.623 41.401 40.800 -0.035 0.000 1.148 526 D HN 0.546 nan 8.370 nan 0.000 0.510 527 R N 2.811 123.315 120.500 0.005 0.000 2.264 527 R HA -0.271 4.069 4.340 0.001 0.000 0.223 527 R C 0.719 177.075 176.300 0.094 0.000 1.090 527 R CA 2.377 58.548 56.100 0.119 0.000 0.857 527 R CB -0.915 29.464 30.300 0.131 0.000 0.835 527 R HN 0.807 nan 8.270 nan 0.000 0.428 528 S N -2.077 113.666 115.700 0.071 0.000 3.613 528 S HA -0.266 4.204 4.470 0.001 0.000 0.631 528 S C -0.629 174.026 174.600 0.092 0.000 2.436 528 S CA 0.710 58.949 58.200 0.066 0.000 3.105 528 S CB -1.031 62.201 63.200 0.054 0.000 0.305 528 S HN 0.670 nan 8.310 nan 0.000 1.433 529 K N 1.332 121.785 120.400 0.089 0.000 2.382 529 K HA 0.302 4.623 4.320 0.001 0.000 0.286 529 K C -1.117 175.562 176.600 0.131 0.000 1.062 529 K CA 0.135 56.478 56.287 0.093 0.000 1.000 529 K CB -0.104 32.444 32.500 0.081 0.000 0.954 529 K HN 0.305 nan 8.250 nan 0.000 0.470 530 I N 4.915 125.552 120.570 0.112 0.000 2.354 530 I HA 0.195 4.366 4.170 0.001 0.000 0.292 530 I C 0.380 176.540 176.117 0.071 0.000 0.989 530 I CA 0.090 61.457 61.300 0.112 0.000 1.188 530 I CB 1.646 39.694 38.000 0.080 0.000 1.342 530 I HN 0.643 nan 8.210 nan 0.000 0.457 531 K N 5.584 126.044 120.400 0.099 0.000 2.684 531 K HA 0.320 4.641 4.320 0.001 0.000 0.189 531 K C 1.016 177.660 176.600 0.073 0.000 1.154 531 K CA 0.046 56.361 56.287 0.046 0.000 1.109 531 K CB 0.387 32.905 32.500 0.029 0.000 0.826 531 K HN 0.532 nan 8.250 nan 0.000 0.501 532 L N 0.722 121.979 121.223 0.057 0.000 1.997 532 L HA -0.329 4.012 4.340 0.001 0.000 0.227 532 L C 1.530 178.377 176.870 -0.039 0.000 1.087 532 L CA 1.808 56.657 54.840 0.013 0.000 0.797 532 L CB -0.528 41.428 42.059 -0.173 0.000 0.902 532 L HN 0.258 nan 8.230 nan 0.000 0.441 533 E N -0.020 120.097 120.200 -0.138 0.000 2.171 533 E HA -0.223 4.127 4.350 0.001 0.000 0.197 533 E C 1.683 178.232 176.600 -0.085 0.000 0.997 533 E CA 1.429 57.745 56.400 -0.139 0.000 0.810 533 E CB -0.279 29.334 29.700 -0.145 0.000 0.738 533 E HN 0.467 nan 8.360 nan 0.000 0.467 534 D N -1.400 118.941 120.400 -0.099 0.000 2.347 534 D HA -0.015 4.625 4.640 0.001 0.000 0.213 534 D C -0.372 175.790 176.300 -0.229 0.000 0.985 534 D CA 0.433 54.329 54.000 -0.174 0.000 0.879 534 D CB 0.103 40.753 40.800 -0.250 0.000 0.919 534 D HN 0.222 nan 8.370 nan 0.000 0.526 535 Y N 0.689 120.978 120.300 -0.017 0.000 2.334 535 Y HA 0.101 4.651 4.550 0.000 0.000 0.328 535 Y C 1.266 177.176 175.900 0.016 0.000 1.130 535 Y CA -0.944 57.158 58.100 0.004 0.000 1.163 535 Y CB 1.451 39.919 38.460 0.014 0.000 1.207 535 Y HN -0.249 nan 8.280 nan 0.000 0.471 536 D N 2.124 122.655 120.400 0.218 0.000 2.084 536 D HA -0.083 4.557 4.640 0.001 0.000 0.194 536 D C 0.073 176.402 176.300 0.048 0.000 0.990 536 D CA 1.864 55.925 54.000 0.103 0.000 0.826 536 D CB 0.205 41.055 40.800 0.084 0.000 0.971 536 D HN 0.350 nan 8.370 nan 0.000 0.453 537 I N -0.262 120.338 120.570 0.049 0.000 2.828 537 I HA 0.402 4.573 4.170 0.001 0.000 0.302 537 I C -0.664 175.455 176.117 0.002 0.000 1.101 537 I CA -1.263 59.995 61.300 -0.070 0.000 1.031 537 I CB 3.009 40.855 38.000 -0.255 0.000 1.231 537 I HN -0.150 nan 8.210 nan 0.000 0.427 538 I N 2.695 123.226 120.570 -0.065 0.000 2.619 538 I HA 0.577 4.748 4.170 0.001 0.000 0.292 538 I C -1.660 174.341 176.117 -0.192 0.000 1.100 538 I CA -0.687 60.564 61.300 -0.082 0.000 1.043 538 I CB 1.987 39.986 38.000 -0.003 0.000 1.239 538 I HN 0.420 nan 8.210 nan 0.000 0.420 539 L N 5.327 126.458 121.223 -0.154 0.000 2.343 539 L HA 0.799 5.139 4.340 0.001 0.000 0.275 539 L C 0.019 176.798 176.870 -0.152 0.000 1.056 539 L CA -0.433 54.273 54.840 -0.224 0.000 0.804 539 L CB 1.714 43.665 42.059 -0.179 0.000 1.203 539 L HN 0.759 nan 8.230 nan 0.000 0.440 540 T N -0.315 114.114 114.554 -0.209 0.000 2.827 540 T HA 0.244 4.594 4.350 0.001 0.000 0.328 540 T C -0.728 173.836 174.700 -0.227 0.000 1.598 540 T CA -0.556 61.466 62.100 -0.130 0.000 1.043 540 T CB 2.036 70.890 68.868 -0.024 0.000 1.447 540 T HN 0.567 nan 8.240 nan 0.000 0.491 541 T N 1.526 115.980 114.554 -0.168 0.000 2.934 541 T HA 0.383 4.733 4.350 0.001 0.000 0.283 541 T C 0.658 175.242 174.700 -0.193 0.000 1.005 541 T CA -0.413 61.537 62.100 -0.250 0.000 1.041 541 T CB 0.567 69.363 68.868 -0.121 0.000 1.042 541 T HN 0.515 nan 8.240 nan 0.000 0.505 542 Y N 1.041 121.301 120.300 -0.066 0.000 2.128 542 Y HA -0.105 4.446 4.550 0.000 0.000 0.284 542 Y C 2.674 178.547 175.900 -0.045 0.000 1.154 542 Y CA 1.319 59.368 58.100 -0.084 0.000 1.149 542 Y CB -1.247 37.162 38.460 -0.084 0.000 0.976 542 Y HN 0.778 nan 8.280 nan 0.000 0.505 543 A N 0.041 122.937 122.820 0.127 0.000 1.851 543 A HA -0.178 4.143 4.320 0.001 0.000 0.216 543 A C 2.327 179.943 177.584 0.054 0.000 1.195 543 A CA 2.145 54.228 52.037 0.076 0.000 0.622 543 A CB -1.349 17.683 19.000 0.055 0.000 0.831 543 A HN 0.243 nan 8.150 nan 0.000 0.444 544 V N -0.405 119.531 119.914 0.036 0.000 3.061 544 V HA -0.229 3.892 4.120 0.001 0.000 0.269 544 V C 2.198 178.354 176.094 0.102 0.000 1.154 544 V CA 1.919 64.248 62.300 0.047 0.000 1.168 544 V CB -0.902 30.942 31.823 0.035 0.000 0.758 544 V HN 0.563 nan 8.190 nan 0.000 0.530 545 L N -1.150 120.120 121.223 0.078 0.000 2.356 545 L HA 0.225 4.566 4.340 0.001 0.000 0.193 545 L C 1.969 178.882 176.870 0.071 0.000 1.087 545 L CA 1.128 56.015 54.840 0.078 0.000 0.817 545 L CB -0.451 41.631 42.059 0.039 0.000 1.035 545 L HN 0.160 nan 8.230 nan 0.000 0.482 546 L N 0.402 121.661 121.223 0.060 0.000 2.302 546 L HA -0.170 4.171 4.340 0.001 0.000 0.218 546 L C 0.676 177.576 176.870 0.050 0.000 1.100 546 L CA 1.573 56.443 54.840 0.051 0.000 0.774 546 L CB -0.475 41.613 42.059 0.048 0.000 0.896 546 L HN 0.213 nan 8.230 nan 0.000 0.439 547 R N 0.227 120.761 120.500 0.056 0.000 2.585 547 R HA 0.364 4.704 4.340 0.001 0.000 0.278 547 R C -1.052 175.290 176.300 0.071 0.000 1.663 547 R CA -0.180 55.952 56.100 0.053 0.000 1.592 547 R CB 0.341 30.663 30.300 0.038 0.000 1.200 547 R HN 0.181 nan 8.270 nan 0.000 0.611 548 D N -1.710 118.740 120.400 0.083 0.000 2.865 548 D HA 0.408 5.049 4.640 0.001 0.000 0.343 548 D C 0.170 176.528 176.300 0.097 0.000 1.372 548 D CA -0.015 54.053 54.000 0.113 0.000 0.862 548 D CB 1.192 42.100 40.800 0.179 0.000 1.425 548 D HN 0.053 nan 8.370 nan 0.000 0.501 549 T N -1.577 113.042 114.554 0.110 0.000 3.607 549 T HA 0.193 4.544 4.350 0.001 0.000 0.295 549 T C 1.674 176.424 174.700 0.083 0.000 0.884 549 T CA 0.966 63.115 62.100 0.082 0.000 1.041 549 T CB -0.257 68.648 68.868 0.062 0.000 1.172 549 T HN 0.395 nan 8.240 nan 0.000 0.536 550 R N 1.382 121.946 120.500 0.107 0.000 2.224 550 R HA -0.190 4.150 4.340 0.001 0.000 0.255 550 R C 2.076 178.390 176.300 0.024 0.000 1.130 550 R CA 2.526 58.680 56.100 0.089 0.000 0.957 550 R CB -1.848 28.571 30.300 0.199 0.000 0.907 550 R HN 0.320 nan 8.270 nan 0.000 0.446 551 L N 0.216 121.471 121.223 0.053 0.000 2.068 551 L HA 0.072 4.412 4.340 0.001 0.000 0.204 551 L C 2.616 179.582 176.870 0.160 0.000 1.076 551 L CA 2.179 57.097 54.840 0.130 0.000 0.753 551 L CB -0.816 41.388 42.059 0.241 0.000 0.910 551 L HN 0.569 nan 8.230 nan 0.000 0.439 552 K N 0.254 120.737 120.400 0.139 0.000 2.144 552 K HA -0.275 4.045 4.320 0.001 0.000 0.209 552 K C 1.847 178.473 176.600 0.044 0.000 1.047 552 K CA 1.991 58.349 56.287 0.118 0.000 0.927 552 K CB -0.027 32.521 32.500 0.080 0.000 0.716 552 K HN 0.441 nan 8.250 nan 0.000 0.454 553 E N 0.265 120.458 120.200 -0.011 0.000 2.118 553 E HA -0.123 4.228 4.350 0.001 0.000 0.195 553 E C 0.520 177.025 176.600 -0.158 0.000 0.992 553 E CA 0.842 57.201 56.400 -0.068 0.000 0.804 553 E CB -0.078 29.580 29.700 -0.070 0.000 0.741 553 E HN 0.083 nan 8.360 nan 0.000 0.458 554 V N 2.442 122.185 119.914 -0.286 0.000 2.763 554 V HA -0.064 4.057 4.120 0.001 0.000 0.306 554 V C 0.357 176.111 176.094 -0.567 0.000 1.059 554 V CA 0.617 62.552 62.300 -0.609 0.000 1.138 554 V CB 0.691 31.733 31.823 -1.303 0.000 0.940 554 V HN 0.128 nan 8.190 nan 0.000 0.489 555 E N 3.802 123.722 120.200 -0.466 0.000 2.103 555 E HA 0.231 4.581 4.350 0.001 0.000 0.254 555 E C -1.252 175.229 176.600 -0.197 0.000 0.940 555 E CA -0.274 55.992 56.400 -0.225 0.000 0.771 555 E CB 0.660 30.282 29.700 -0.129 0.000 1.153 555 E HN 0.656 nan 8.360 nan 0.000 0.428 556 W N 2.726 124.024 121.300 -0.004 0.000 2.261 556 W HA 0.209 4.869 4.660 0.001 0.000 0.323 556 W C 1.349 177.903 176.519 0.058 0.000 1.243 556 W CA -0.643 56.717 57.345 0.025 0.000 1.210 556 W CB 0.684 30.163 29.460 0.033 0.000 1.149 556 W HN 0.306 nan 8.180 nan 0.000 0.562 557 K N 1.274 121.886 120.400 0.353 0.000 1.974 557 K HA -0.067 4.253 4.320 0.001 0.000 0.211 557 K C 0.039 176.872 176.600 0.388 0.000 1.039 557 K CA 0.932 57.428 56.287 0.348 0.000 0.947 557 K CB -0.580 32.133 32.500 0.354 0.000 0.735 557 K HN 0.317 nan 8.250 nan 0.000 0.441 558 Y N 0.046 120.557 120.300 0.351 0.000 2.403 558 Y HA 0.373 4.924 4.550 0.001 0.000 0.323 558 Y C 0.202 176.226 175.900 0.207 0.000 1.226 558 Y CA -0.545 57.752 58.100 0.327 0.000 1.235 558 Y CB 1.237 39.919 38.460 0.370 0.000 1.248 558 Y HN -0.008 nan 8.280 nan 0.000 0.489 559 I N 2.933 123.728 120.570 0.376 0.000 2.576 559 I HA 0.173 4.344 4.170 0.001 0.000 0.279 559 I C -1.536 174.747 176.117 0.277 0.000 1.114 559 I CA -0.477 60.926 61.300 0.172 0.000 1.076 559 I CB 1.133 39.207 38.000 0.123 0.000 1.212 559 I HN 0.197 nan 8.210 nan 0.000 0.472 560 V N 6.561 126.586 119.914 0.185 0.000 2.432 560 V HA 0.389 4.510 4.120 0.001 0.000 0.275 560 V C 0.345 176.452 176.094 0.022 0.000 1.043 560 V CA -0.279 62.120 62.300 0.164 0.000 0.925 560 V CB 1.927 33.825 31.823 0.125 0.000 0.985 560 V HN 0.449 nan 8.190 nan 0.000 0.466 561 I N 3.916 124.513 120.570 0.045 0.000 2.330 561 I HA 0.257 4.428 4.170 0.001 0.000 0.286 561 I C -0.229 175.940 176.117 0.087 0.000 1.025 561 I CA -0.185 61.080 61.300 -0.058 0.000 1.197 561 I CB 1.284 39.114 38.000 -0.284 0.000 1.358 561 I HN 0.587 nan 8.210 nan 0.000 0.467 562 D N 7.299 127.761 120.400 0.105 0.000 2.524 562 D HA 0.063 4.704 4.640 0.001 0.000 0.222 562 D C 0.288 176.728 176.300 0.233 0.000 1.142 562 D CA -0.105 54.020 54.000 0.209 0.000 0.973 562 D CB 0.462 41.465 40.800 0.339 0.000 1.025 562 D HN 0.425 nan 8.370 nan 0.000 0.519 563 E N 2.083 122.427 120.200 0.240 0.000 2.676 563 E HA 0.185 4.535 4.350 0.001 0.000 0.318 563 E C 0.776 177.493 176.600 0.194 0.000 1.514 563 E CA -0.377 56.176 56.400 0.255 0.000 1.667 563 E CB 0.186 29.999 29.700 0.188 0.000 1.336 563 E HN 0.505 nan 8.360 nan 0.000 0.492 564 A N 1.976 124.908 122.820 0.186 0.000 2.411 564 A HA -0.181 4.139 4.320 0.001 0.000 0.310 564 A C 1.556 179.210 177.584 0.115 0.000 1.226 564 A CA 0.253 52.372 52.037 0.137 0.000 0.982 564 A CB 0.172 19.247 19.000 0.125 0.000 1.131 564 A HN 0.496 nan 8.150 nan 0.000 0.534 565 Q N 0.271 120.120 119.800 0.082 0.000 2.591 565 Q HA -0.131 4.209 4.340 0.001 0.000 0.219 565 Q C 0.220 176.265 176.000 0.074 0.000 0.981 565 Q CA 0.774 56.617 55.803 0.067 0.000 0.945 565 Q CB -1.448 27.312 28.738 0.036 0.000 0.985 565 Q HN 0.645 nan 8.270 nan 0.000 0.542 566 N N 1.499 120.258 118.700 0.098 0.000 2.138 566 N HA -0.146 4.595 4.740 0.001 0.000 0.271 566 N C 0.851 176.412 175.510 0.086 0.000 1.272 566 N CA 0.579 53.692 53.050 0.106 0.000 0.819 566 N CB 0.174 38.763 38.487 0.170 0.000 1.052 566 N HN 0.237 nan 8.380 nan 0.000 0.479 567 I N 1.428 122.039 120.570 0.069 0.000 4.856 567 I HA -0.548 3.622 4.170 0.001 0.000 0.047 567 I C 1.794 177.944 176.117 0.055 0.000 0.636 567 I CA 2.396 63.729 61.300 0.055 0.000 0.348 567 I CB -0.605 37.426 38.000 0.051 0.000 0.388 567 I HN 0.834 nan 8.210 nan 0.000 0.160 568 K N -1.623 118.809 120.400 0.053 0.000 2.954 568 K HA 0.097 4.418 4.320 0.001 0.000 0.181 568 K C -0.494 176.134 176.600 0.046 0.000 2.022 568 K CA 0.194 56.512 56.287 0.052 0.000 1.440 568 K CB 0.094 32.622 32.500 0.046 0.000 2.298 568 K HN 0.334 nan 8.250 nan 0.000 0.597 569 N N 3.975 122.697 118.700 0.037 0.000 2.399 569 N HA 0.083 4.823 4.740 0.001 0.000 0.259 569 N C -1.927 173.595 175.510 0.021 0.000 1.160 569 N CA -0.749 52.318 53.050 0.028 0.000 0.946 569 N CB 1.428 39.928 38.487 0.022 0.000 1.156 569 N HN 0.279 nan 8.380 nan 0.000 0.489 570 P HA -0.012 nan 4.420 nan 0.000 0.238 570 P C 0.488 177.878 177.300 0.149 0.000 1.153 570 P CA 0.219 63.332 63.100 0.021 0.000 0.900 570 P CB 0.719 32.464 31.700 0.075 0.000 1.009 571 Q N 0.771 120.624 119.800 0.089 0.000 2.779 571 Q HA 0.336 4.676 4.340 0.001 0.000 0.187 571 Q C 0.134 176.202 176.000 0.113 0.000 1.187 571 Q CA 1.871 57.675 55.803 0.002 0.000 1.274 571 Q CB -0.504 28.118 28.738 -0.193 0.000 1.504 571 Q HN 0.375 nan 8.270 nan 0.000 0.683 572 T N -1.499 113.084 114.554 0.047 0.000 2.334 572 T HA -0.141 4.209 4.350 0.001 0.000 0.361 572 T C 0.392 175.144 174.700 0.087 0.000 1.304 572 T CA 0.595 62.719 62.100 0.040 0.000 2.009 572 T CB -1.553 nan 68.868 nan 0.000 2.479 572 T HN 0.669 nan 8.240 nan 0.000 0.309 573 K N 0.577 121.006 120.400 0.049 0.000 2.442 573 K HA 0.035 4.355 4.320 0.001 0.000 0.200 573 K C 2.089 178.732 176.600 0.071 0.000 1.045 573 K CA 1.883 58.203 56.287 0.054 0.000 0.937 573 K CB -0.411 32.109 32.500 0.033 0.000 0.757 573 K HN 0.684 nan 8.250 nan 0.000 0.474 574 I N 0.568 121.181 120.570 0.072 0.000 2.142 574 I HA -0.242 3.929 4.170 0.001 0.000 0.240 574 I C 2.042 178.150 176.117 -0.015 0.000 1.078 574 I CA 1.376 62.681 61.300 0.010 0.000 1.343 574 I CB -0.383 37.570 38.000 -0.078 0.000 1.046 574 I HN 0.016 nan 8.210 nan 0.000 0.405 575 F N 1.327 121.234 119.950 -0.072 0.000 2.095 575 F HA -0.266 4.261 4.527 0.000 0.000 0.298 575 F C 2.597 178.398 175.800 0.002 0.000 1.104 575 F CA 1.800 59.765 58.000 -0.058 0.000 1.232 575 F CB -0.609 38.372 39.000 -0.030 0.000 0.987 575 F HN -0.056 nan 8.300 nan 0.000 0.475 576 K N 0.235 120.759 120.400 0.206 0.000 2.160 576 K HA -0.229 4.091 4.320 0.001 0.000 0.206 576 K C 2.113 178.769 176.600 0.092 0.000 1.047 576 K CA 1.305 57.676 56.287 0.141 0.000 0.930 576 K CB -0.280 32.284 32.500 0.107 0.000 0.720 576 K HN 0.238 nan 8.250 nan 0.000 0.450 577 A N 0.185 123.041 122.820 0.059 0.000 1.840 577 A HA -0.085 4.235 4.320 0.001 0.000 0.214 577 A C 2.213 179.811 177.584 0.023 0.000 1.198 577 A CA 1.606 53.665 52.037 0.037 0.000 0.608 577 A CB -0.758 18.255 19.000 0.021 0.000 0.839 577 A HN 0.123 nan 8.150 nan 0.000 0.443 578 V N 0.743 120.632 119.914 -0.042 0.000 2.233 578 V HA -0.248 3.872 4.120 0.001 0.000 0.247 578 V C 2.165 178.301 176.094 0.069 0.000 1.050 578 V CA 2.160 64.413 62.300 -0.078 0.000 1.010 578 V CB -0.829 30.790 31.823 -0.340 0.000 0.637 578 V HN 0.633 nan 8.190 nan 0.000 0.444 579 K N 0.588 121.062 120.400 0.124 0.000 3.156 579 K HA -0.127 4.194 4.320 0.001 0.000 0.276 579 K C 0.994 177.669 176.600 0.125 0.000 0.852 579 K CA 0.851 57.261 56.287 0.205 0.000 1.083 579 K CB -0.320 32.316 32.500 0.228 0.000 1.018 579 K HN 0.663 nan 8.250 nan 0.000 0.444 580 E N -0.384 119.878 120.200 0.104 0.000 2.767 580 E HA 0.106 4.457 4.350 0.001 0.000 0.192 580 E C -0.376 176.274 176.600 0.084 0.000 0.938 580 E CA -0.122 56.326 56.400 0.080 0.000 1.312 580 E CB 0.256 29.999 29.700 0.071 0.000 1.072 580 E HN 0.193 nan 8.360 nan 0.000 0.511 581 L N 0.403 121.690 121.223 0.107 0.000 2.946 581 L HA 0.535 4.875 4.340 0.001 0.000 0.189 581 L C 0.005 176.959 176.870 0.141 0.000 1.249 581 L CA -0.799 54.128 54.840 0.145 0.000 1.098 581 L CB 0.374 42.532 42.059 0.165 0.000 2.064 581 L HN -0.124 nan 8.230 nan 0.000 0.522 582 K N 0.252 120.785 120.400 0.220 0.000 2.690 582 K HA 0.317 4.637 4.320 0.001 0.000 0.243 582 K C -1.173 175.552 176.600 0.209 0.000 0.982 582 K CA -0.227 56.149 56.287 0.148 0.000 0.955 582 K CB 1.785 34.332 32.500 0.078 0.000 1.185 582 K HN 0.646 nan 8.250 nan 0.000 0.467 583 S N 0.955 116.716 115.700 0.102 0.000 2.798 583 S HA 0.507 4.977 4.470 0.001 0.000 0.312 583 S C 0.395 174.947 174.600 -0.080 0.000 1.122 583 S CA -0.739 57.510 58.200 0.081 0.000 0.949 583 S CB 2.262 65.496 63.200 0.056 0.000 1.235 583 S HN 0.585 nan 8.310 nan 0.000 0.552 584 K N -1.471 118.824 120.400 -0.175 0.000 2.567 584 K HA 0.335 4.656 4.320 0.001 0.000 0.218 584 K C -1.382 174.602 176.600 -1.027 0.000 1.440 584 K CA -0.129 55.843 56.287 -0.525 0.000 0.995 584 K CB 0.589 32.825 32.500 -0.440 0.000 1.186 584 K HN 0.676 nan 8.250 nan 0.000 0.593 585 Y N -0.186 119.903 120.300 -0.353 0.000 2.534 585 Y HA 0.520 5.070 4.550 0.001 0.000 0.345 585 Y C -0.955 174.790 175.900 -0.259 0.000 1.031 585 Y CA -1.030 56.760 58.100 -0.517 0.000 1.022 585 Y CB 2.152 39.767 38.460 -1.408 0.000 1.292 585 Y HN -0.253 nan 8.280 nan 0.000 0.459 586 R N 2.618 123.100 120.500 -0.030 0.000 2.533 586 R HA 0.720 5.060 4.340 0.001 0.000 0.288 586 R C -1.622 174.758 176.300 0.133 0.000 1.039 586 R CA -0.396 55.710 56.100 0.010 0.000 0.909 586 R CB 2.002 32.051 30.300 -0.417 0.000 1.195 586 R HN 0.640 nan 8.270 nan 0.000 0.438 587 I N 1.038 121.785 120.570 0.294 0.000 3.067 587 I HA 0.805 4.976 4.170 0.001 0.000 0.312 587 I C -0.623 175.696 176.117 0.337 0.000 1.073 587 I CA -1.172 60.291 61.300 0.272 0.000 1.016 587 I CB 2.365 40.505 38.000 0.234 0.000 1.227 587 I HN 0.654 nan 8.210 nan 0.000 0.456 588 A N 4.525 127.514 122.820 0.282 0.000 2.550 588 A HA 0.582 4.902 4.320 0.001 0.000 0.282 588 A C -1.185 176.532 177.584 0.222 0.000 1.071 588 A CA -0.450 51.749 52.037 0.270 0.000 0.838 588 A CB 0.599 19.791 19.000 0.320 0.000 1.361 588 A HN 0.570 nan 8.150 nan 0.000 0.408 589 L N 2.793 124.136 121.223 0.200 0.000 2.281 589 L HA 0.693 5.033 4.340 0.001 0.000 0.285 589 L C 0.721 177.689 176.870 0.163 0.000 1.074 589 L CA -0.169 54.776 54.840 0.176 0.000 0.817 589 L CB 1.063 43.226 42.059 0.173 0.000 1.168 589 L HN 0.852 nan 8.230 nan 0.000 0.434 590 T N -0.938 113.703 114.554 0.145 0.000 2.812 590 T HA 0.553 4.904 4.350 0.001 0.000 0.294 590 T C 0.626 175.390 174.700 0.107 0.000 1.159 590 T CA -0.122 62.058 62.100 0.132 0.000 1.008 590 T CB 1.588 70.539 68.868 0.139 0.000 1.289 590 T HN 0.484 nan 8.240 nan 0.000 0.514 591 G N 0.836 109.694 108.800 0.098 0.000 2.630 591 G HA2 0.411 4.371 3.960 0.001 0.000 0.195 591 G HA3 0.411 4.371 3.960 0.001 0.000 0.195 591 G C 0.247 175.192 174.900 0.075 0.000 1.493 591 G CA 0.917 46.065 45.100 0.081 0.000 0.890 591 G HN 1.471 nan 8.290 nan 0.000 0.475 592 T N -1.986 112.612 114.554 0.073 0.000 2.928 592 T HA 0.516 4.866 4.350 0.001 0.000 0.296 592 T C -2.793 171.950 174.700 0.072 0.000 1.000 592 T CA -1.413 60.727 62.100 0.068 0.000 0.989 592 T CB 2.543 71.448 68.868 0.062 0.000 1.005 592 T HN -0.008 nan 8.240 nan 0.000 0.442 593 P HA 0.044 nan 4.420 nan 0.000 0.304 593 P C 0.161 177.507 177.300 0.077 0.000 1.487 593 P CA 0.070 63.218 63.100 0.080 0.000 0.753 593 P CB -0.959 30.789 31.700 0.079 0.000 1.663 594 I N 0.002 120.615 120.570 0.071 0.000 3.163 594 I HA -0.234 3.936 4.170 0.001 0.000 0.332 594 I C 1.994 178.155 176.117 0.072 0.000 1.205 594 I CA 0.653 61.992 61.300 0.066 0.000 1.473 594 I CB 0.167 38.206 38.000 0.064 0.000 1.300 594 I HN 0.185 nan 8.210 nan 0.000 0.532 595 E N 4.430 124.669 120.200 0.064 0.000 2.393 595 E HA -0.246 4.104 4.350 0.001 0.000 0.201 595 E C 1.284 177.928 176.600 0.073 0.000 1.025 595 E CA 1.707 58.148 56.400 0.068 0.000 0.856 595 E CB 0.125 29.857 29.700 0.053 0.000 0.771 595 E HN 0.706 nan 8.360 nan 0.000 0.526 596 N N 0.314 119.056 118.700 0.070 0.000 2.251 596 N HA -0.059 4.682 4.740 0.001 0.000 0.181 596 N C 1.257 176.821 175.510 0.090 0.000 1.019 596 N CA 0.641 53.734 53.050 0.072 0.000 0.862 596 N CB -0.062 38.462 38.487 0.062 0.000 0.992 596 N HN -0.006 nan 8.380 nan 0.000 0.429 597 K N 0.920 121.374 120.400 0.091 0.000 2.442 597 K HA -0.107 4.213 4.320 0.001 0.000 0.200 597 K C 1.221 177.901 176.600 0.133 0.000 1.045 597 K CA 0.161 56.508 56.287 0.099 0.000 0.937 597 K CB -0.188 32.367 32.500 0.092 0.000 0.757 597 K HN -0.013 nan 8.250 nan 0.000 0.474 598 V N 1.968 121.975 119.914 0.156 0.000 2.233 598 V HA -0.404 3.717 4.120 0.001 0.000 0.256 598 V C 1.648 177.952 176.094 0.351 0.000 1.069 598 V CA 2.354 64.799 62.300 0.242 0.000 1.054 598 V CB -0.331 31.603 31.823 0.185 0.000 0.664 598 V HN 0.483 nan 8.190 nan 0.000 0.453 599 D N -0.691 119.883 120.400 0.290 0.000 2.309 599 D HA -0.139 4.501 4.640 0.001 0.000 0.212 599 D C 1.658 178.111 176.300 0.255 0.000 0.968 599 D CA 1.368 55.567 54.000 0.331 0.000 0.882 599 D CB -0.178 40.794 40.800 0.288 0.000 0.918 599 D HN 0.584 nan 8.370 nan 0.000 0.503 600 D N 0.010 120.496 120.400 0.142 0.000 2.240 600 D HA -0.045 4.595 4.640 0.001 0.000 0.206 600 D C 2.058 178.349 176.300 -0.014 0.000 0.963 600 D CA -0.102 53.912 54.000 0.023 0.000 0.863 600 D CB -0.218 40.596 40.800 0.023 0.000 0.973 600 D HN 0.077 nan 8.370 nan 0.000 0.501 601 L N -0.052 121.197 121.223 0.043 0.000 2.043 601 L HA -0.119 4.221 4.340 0.001 0.000 0.212 601 L C 1.987 178.728 176.870 -0.215 0.000 1.075 601 L CA 1.534 56.366 54.840 -0.012 0.000 0.752 601 L CB -0.628 41.490 42.059 0.098 0.000 0.891 601 L HN 0.200 nan 8.230 nan 0.000 0.432 602 W N -0.581 120.366 121.300 -0.588 0.000 2.358 602 W HA -0.192 4.468 4.660 -0.000 0.000 0.303 602 W C 2.597 178.861 176.519 -0.424 0.000 1.208 602 W CA 1.832 58.630 57.345 -0.913 0.000 1.274 602 W CB -0.216 28.380 29.460 -1.441 0.000 1.138 602 W HN 0.070 nan 8.180 nan 0.000 0.515 603 S N 0.792 116.407 115.700 -0.142 0.000 2.368 603 S HA -0.198 4.273 4.470 0.001 0.000 0.224 603 S C 1.746 176.151 174.600 -0.324 0.000 1.029 603 S CA 1.805 59.794 58.200 -0.351 0.000 0.988 603 S CB -0.561 62.228 63.200 -0.685 0.000 0.838 603 S HN 0.338 nan 8.310 nan 0.000 0.462 604 I N 0.658 121.130 120.570 -0.164 0.000 2.286 604 I HA -0.107 4.063 4.170 0.001 0.000 0.245 604 I C 2.260 178.392 176.117 0.024 0.000 1.104 604 I CA 0.792 62.168 61.300 0.127 0.000 1.397 604 I CB -0.468 37.623 38.000 0.152 0.000 1.072 604 I HN 0.224 nan 8.210 nan 0.000 0.417 605 M N 0.891 120.379 119.600 -0.187 0.000 2.117 605 M HA -0.129 4.351 4.480 0.001 0.000 0.262 605 M C 2.446 178.515 176.300 -0.384 0.000 1.065 605 M CA 1.881 57.023 55.300 -0.263 0.000 1.114 605 M CB -1.693 30.715 32.600 -0.319 0.000 1.361 605 M HN 0.234 nan 8.290 nan 0.000 0.408 606 T N 0.984 115.175 114.554 -0.605 0.000 2.622 606 T HA -0.189 4.161 4.350 0.001 0.000 0.266 606 T C 1.564 176.082 174.700 -0.302 0.000 1.047 606 T CA 1.776 63.489 62.100 -0.646 0.000 1.159 606 T CB -0.660 67.507 68.868 -1.168 0.000 0.863 606 T HN 0.360 nan 8.240 nan 0.000 0.422 607 F N 1.951 121.762 119.950 -0.231 0.000 2.063 607 F HA -0.168 4.359 4.527 0.000 0.000 0.298 607 F C 1.947 177.683 175.800 -0.108 0.000 1.109 607 F CA 1.359 59.312 58.000 -0.078 0.000 1.212 607 F CB -0.770 38.273 39.000 0.072 0.000 0.973 607 F HN 0.087 nan 8.300 nan 0.000 0.480 608 L N -0.233 120.707 121.223 -0.472 0.000 2.005 608 L HA -0.167 4.173 4.340 0.001 0.000 0.207 608 L C 0.286 176.865 176.870 -0.486 0.000 1.072 608 L CA 1.371 55.867 54.840 -0.573 0.000 0.744 608 L CB -0.591 41.331 42.059 -0.227 0.000 0.895 608 L HN 0.140 nan 8.230 nan 0.000 0.433 609 N N -0.011 118.439 118.700 -0.416 0.000 2.746 609 N HA 0.260 5.000 4.740 0.001 0.000 0.250 609 N C -2.546 172.765 175.510 -0.332 0.000 1.146 609 N CA -1.175 51.638 53.050 -0.394 0.000 0.828 609 N CB 1.112 39.299 38.487 -0.501 0.000 1.158 609 N HN 0.004 nan 8.380 nan 0.000 0.519 610 P HA 0.006 nan 4.420 nan 0.000 0.266 610 P C 1.021 178.223 177.300 -0.163 0.000 1.193 610 P CA 0.933 63.902 63.100 -0.219 0.000 0.770 610 P CB 0.933 32.535 31.700 -0.163 0.000 0.836 611 G N 2.080 110.810 108.800 -0.117 0.000 2.708 611 G HA2 -0.407 3.553 3.960 0.001 0.000 0.229 611 G HA3 -0.407 3.553 3.960 0.001 0.000 0.229 611 G C 0.887 175.762 174.900 -0.042 0.000 1.236 611 G CA 0.430 45.506 45.100 -0.040 0.000 0.749 611 G HN 0.583 nan 8.290 nan 0.000 0.515 612 L N 0.851 122.014 121.223 -0.100 0.000 2.119 612 L HA -0.134 4.207 4.340 0.001 0.000 0.226 612 L C 2.280 179.128 176.870 -0.037 0.000 1.093 612 L CA 3.114 57.905 54.840 -0.082 0.000 0.806 612 L CB -0.409 41.540 42.059 -0.184 0.000 0.902 612 L HN 0.574 nan 8.230 nan 0.000 0.444 613 L N -1.852 119.323 121.223 -0.081 0.000 2.640 613 L HA 0.384 4.724 4.340 0.001 0.000 0.230 613 L C 1.387 178.423 176.870 0.277 0.000 1.123 613 L CA 0.145 55.007 54.840 0.037 0.000 0.900 613 L CB -0.251 41.713 42.059 -0.159 0.000 1.146 613 L HN 0.621 nan 8.230 nan 0.000 0.484 614 G N 0.672 109.614 108.800 0.236 0.000 2.554 614 G HA2 -0.288 3.672 3.960 0.001 0.000 0.253 614 G HA3 -0.288 3.672 3.960 0.001 0.000 0.253 614 G C -0.058 175.103 174.900 0.435 0.000 1.172 614 G CA -0.036 45.232 45.100 0.281 0.000 0.950 614 G HN 0.411 nan 8.290 nan 0.000 0.557 615 S N -0.924 114.974 115.700 0.329 0.000 2.621 615 S HA 0.664 5.134 4.470 0.001 0.000 0.302 615 S C 0.632 175.071 174.600 -0.270 0.000 1.093 615 S CA 0.451 58.771 58.200 0.201 0.000 1.017 615 S CB 2.202 65.459 63.200 0.096 0.000 1.077 615 S HN 1.419 nan 8.310 nan 0.000 0.517 616 Y N 2.188 121.914 120.300 -0.956 0.000 2.097 616 Y HA -0.152 4.398 4.550 0.001 0.000 0.282 616 Y C 2.875 178.479 175.900 -0.495 0.000 1.152 616 Y CA 2.607 59.907 58.100 -1.333 0.000 1.136 616 Y CB -0.849 36.964 38.460 -1.078 0.000 0.975 616 Y HN 0.862 nan 8.280 nan 0.000 0.498 617 S N -0.193 115.437 115.700 -0.117 0.000 2.389 617 S HA -0.387 4.083 4.470 0.001 0.000 0.229 617 S C 2.096 176.637 174.600 -0.098 0.000 1.048 617 S CA 2.104 60.276 58.200 -0.047 0.000 1.117 617 S CB -0.839 62.362 63.200 0.001 0.000 1.020 617 S HN 0.694 nan 8.310 nan 0.000 0.430 618 E N -0.785 119.388 120.200 -0.045 0.000 2.065 618 E HA -0.216 4.134 4.350 0.001 0.000 0.201 618 E C 1.814 178.449 176.600 0.058 0.000 1.016 618 E CA 1.734 58.150 56.400 0.027 0.000 0.818 618 E CB -0.383 29.371 29.700 0.091 0.000 0.749 618 E HN 0.623 nan 8.360 nan 0.000 0.453 619 F N 1.740 121.583 119.950 -0.177 0.000 2.000 619 F HA -0.290 4.237 4.527 0.001 0.000 0.296 619 F C 2.393 178.143 175.800 -0.082 0.000 1.159 619 F CA 2.427 60.347 58.000 -0.132 0.000 1.183 619 F CB -0.635 38.084 39.000 -0.468 0.000 0.959 619 F HN -0.138 nan 8.300 nan 0.000 0.490 620 K N 0.134 120.298 120.400 -0.393 0.000 2.052 620 K HA -0.317 4.004 4.320 0.001 0.000 0.215 620 K C 2.465 178.922 176.600 -0.239 0.000 1.053 620 K CA 2.163 58.219 56.287 -0.386 0.000 0.934 620 K CB -0.841 31.463 32.500 -0.328 0.000 0.717 620 K HN 0.439 nan 8.250 nan 0.000 0.450 621 S N 0.380 115.987 115.700 -0.157 0.000 2.368 621 S HA -0.206 4.264 4.470 0.001 0.000 0.226 621 S C 1.613 176.144 174.600 -0.115 0.000 1.044 621 S CA 2.145 60.285 58.200 -0.100 0.000 1.062 621 S CB -0.151 63.014 63.200 -0.058 0.000 0.931 621 S HN 0.499 nan 8.310 nan 0.000 0.440 622 K N -1.551 118.782 120.400 -0.113 0.000 2.361 622 K HA 0.265 4.585 4.320 0.001 0.000 0.194 622 K C 1.126 177.478 176.600 -0.412 0.000 1.032 622 K CA 0.318 56.480 56.287 -0.208 0.000 1.048 622 K CB 0.100 32.500 32.500 -0.167 0.000 0.842 622 K HN 0.387 nan 8.250 nan 0.000 0.526 623 F N 0.252 119.969 119.950 -0.388 0.000 2.539 623 F HA 0.253 4.780 4.527 0.001 0.000 0.277 623 F C 2.246 177.794 175.800 -0.419 0.000 0.925 623 F CA 0.207 57.926 58.000 -0.468 0.000 1.193 623 F CB -0.645 37.839 39.000 -0.860 0.000 1.128 623 F HN -0.115 nan 8.300 nan 0.000 0.740 624 A N 0.743 123.361 122.820 -0.337 0.000 1.827 624 A HA -0.243 4.078 4.320 0.001 0.000 0.215 624 A C 2.289 179.807 177.584 -0.111 0.000 1.212 624 A CA 3.313 55.230 52.037 -0.199 0.000 0.624 624 A CB -1.668 17.213 19.000 -0.198 0.000 0.853 624 A HN 0.462 nan 8.150 nan 0.000 0.450 625 T N -1.795 112.695 114.554 -0.108 0.000 2.684 625 T HA -0.170 4.181 4.350 0.001 0.000 0.267 625 T C -0.223 174.435 174.700 -0.070 0.000 1.032 625 T CA 2.100 64.157 62.100 -0.071 0.000 1.155 625 T CB -1.859 66.968 68.868 -0.068 0.000 0.857 625 T HN 0.401 nan 8.240 nan 0.000 0.457 626 P HA 0.189 nan 4.420 nan 0.000 0.213 626 P C 1.898 179.157 177.300 -0.068 0.000 1.169 626 P CA 0.579 63.624 63.100 -0.092 0.000 0.885 626 P CB -0.184 31.432 31.700 -0.139 0.000 0.779 627 I N -0.046 120.484 120.570 -0.066 0.000 2.087 627 I HA -0.350 3.821 4.170 0.001 0.000 0.240 627 I C 2.518 178.627 176.117 -0.013 0.000 1.054 627 I CA 1.881 63.165 61.300 -0.026 0.000 1.311 627 I CB -0.596 37.409 38.000 0.008 0.000 1.024 627 I HN -0.029 nan 8.210 nan 0.000 0.402 628 K N 1.434 121.828 120.400 -0.010 0.000 2.063 628 K HA -0.249 4.071 4.320 0.001 0.000 0.208 628 K C 1.993 178.589 176.600 -0.007 0.000 1.048 628 K CA 1.646 57.933 56.287 0.000 0.000 0.928 628 K CB -0.130 32.372 32.500 0.004 0.000 0.713 628 K HN 0.102 nan 8.250 nan 0.000 0.442 629 K N 0.158 120.546 120.400 -0.019 0.000 2.632 629 K HA -0.025 4.295 4.320 0.001 0.000 0.196 629 K C -0.415 176.173 176.600 -0.020 0.000 1.023 629 K CA 0.631 56.906 56.287 -0.020 0.000 1.098 629 K CB -0.411 32.071 32.500 -0.029 0.000 0.862 629 K HN 0.448 nan 8.250 nan 0.000 0.504 630 G N 2.186 110.976 108.800 -0.016 0.000 2.531 630 G HA2 -0.196 3.764 3.960 0.001 0.000 0.283 630 G HA3 -0.196 3.764 3.960 0.001 0.000 0.283 630 G C -0.901 173.985 174.900 -0.023 0.000 1.068 630 G CA 0.173 45.264 45.100 -0.015 0.000 1.273 630 G HN 0.477 nan 8.290 nan 0.000 0.532 631 D N 1.027 121.411 120.400 -0.027 0.000 2.405 631 D HA 0.141 4.781 4.640 0.001 0.000 0.264 631 D C 1.016 177.299 176.300 -0.029 0.000 1.240 631 D CA -0.605 53.372 54.000 -0.038 0.000 0.893 631 D CB -0.170 40.592 40.800 -0.063 0.000 1.198 631 D HN 0.343 nan 8.370 nan 0.000 0.514 632 N N 2.354 121.043 118.700 -0.019 0.000 2.651 632 N HA -0.106 4.634 4.740 0.001 0.000 0.193 632 N C 1.446 176.949 175.510 -0.012 0.000 1.149 632 N CA 0.360 53.405 53.050 -0.008 0.000 0.933 632 N CB 0.309 38.793 38.487 -0.006 0.000 0.974 632 N HN 0.396 nan 8.380 nan 0.000 0.448 633 M N 0.023 119.604 119.600 -0.031 0.000 2.224 633 M HA 0.050 4.530 4.480 0.001 0.000 0.253 633 M C 2.394 178.662 176.300 -0.054 0.000 1.115 633 M CA 0.766 56.042 55.300 -0.041 0.000 1.168 633 M CB -1.395 31.171 32.600 -0.057 0.000 1.288 633 M HN 0.070 nan 8.290 nan 0.000 0.446 634 A N 0.271 123.027 122.820 -0.107 0.000 2.070 634 A HA -0.174 4.147 4.320 0.001 0.000 0.220 634 A C 2.280 179.853 177.584 -0.019 0.000 1.159 634 A CA 1.773 53.698 52.037 -0.187 0.000 0.656 634 A CB -0.675 18.109 19.000 -0.361 0.000 0.800 634 A HN 0.521 nan 8.150 nan 0.000 0.453 635 K N 0.003 120.413 120.400 0.016 0.000 1.985 635 K HA -0.184 4.137 4.320 0.001 0.000 0.210 635 K C 1.888 178.545 176.600 0.096 0.000 1.047 635 K CA 1.711 58.044 56.287 0.077 0.000 0.932 635 K CB -0.240 32.285 32.500 0.042 0.000 0.716 635 K HN 0.579 nan 8.250 nan 0.000 0.439 636 E N 0.198 120.432 120.200 0.057 0.000 2.118 636 E HA -0.233 4.118 4.350 0.001 0.000 0.195 636 E C 2.001 178.651 176.600 0.084 0.000 0.992 636 E CA 1.294 57.728 56.400 0.057 0.000 0.804 636 E CB 0.003 29.721 29.700 0.031 0.000 0.741 636 E HN 0.276 nan 8.360 nan 0.000 0.458 637 E N 0.932 121.187 120.200 0.092 0.000 2.017 637 E HA -0.188 4.162 4.350 0.001 0.000 0.193 637 E C 1.914 178.661 176.600 0.246 0.000 0.997 637 E CA 0.669 57.150 56.400 0.134 0.000 0.804 637 E CB -0.397 29.354 29.700 0.085 0.000 0.757 637 E HN 0.104 nan 8.360 nan 0.000 0.448 638 L N 1.510 122.971 121.223 0.396 0.000 1.997 638 L HA -0.244 4.097 4.340 0.001 0.000 0.216 638 L C 2.297 179.298 176.870 0.220 0.000 1.074 638 L CA 2.374 57.464 54.840 0.417 0.000 0.763 638 L CB -0.748 41.584 42.059 0.455 0.000 0.890 638 L HN 0.158 nan 8.230 nan 0.000 0.434 639 K N -0.841 119.663 120.400 0.173 0.000 2.044 639 K HA -0.254 4.066 4.320 0.001 0.000 0.210 639 K C 1.967 178.627 176.600 0.100 0.000 1.049 639 K CA 1.749 58.107 56.287 0.118 0.000 0.927 639 K CB -0.368 32.184 32.500 0.087 0.000 0.713 639 K HN 0.470 nan 8.250 nan 0.000 0.443 640 A N 1.633 124.512 122.820 0.099 0.000 1.873 640 A HA -0.192 4.128 4.320 0.001 0.000 0.218 640 A C 2.159 179.792 177.584 0.083 0.000 1.193 640 A CA 1.993 54.075 52.037 0.074 0.000 0.629 640 A CB -0.757 18.288 19.000 0.075 0.000 0.826 640 A HN 0.419 nan 8.150 nan 0.000 0.447 641 I N -0.204 120.444 120.570 0.131 0.000 2.264 641 I HA -0.255 3.915 4.170 0.001 0.000 0.248 641 I C 1.982 178.213 176.117 0.190 0.000 1.111 641 I CA 1.587 62.979 61.300 0.152 0.000 1.382 641 I CB -0.364 37.748 38.000 0.186 0.000 1.060 641 I HN 0.393 nan 8.210 nan 0.000 0.418 642 I N -1.353 119.328 120.570 0.185 0.000 3.645 642 I HA -0.047 4.123 4.170 0.001 0.000 0.300 642 I C 2.552 178.780 176.117 0.184 0.000 1.260 642 I CA 0.243 61.714 61.300 0.286 0.000 1.365 642 I CB -0.364 37.762 38.000 0.210 0.000 1.077 642 I HN 0.054 nan 8.210 nan 0.000 0.439 643 S N 2.926 118.663 115.700 0.062 0.000 2.408 643 S HA -0.154 4.316 4.470 0.001 0.000 0.241 643 S C -0.123 174.414 174.600 -0.105 0.000 1.080 643 S CA 2.309 60.501 58.200 -0.013 0.000 1.109 643 S CB -1.179 62.003 63.200 -0.031 0.000 0.966 643 S HN 0.346 nan 8.310 nan 0.000 0.449 644 P HA 0.079 nan 4.420 nan 0.000 0.242 644 P C 0.178 177.225 177.300 -0.423 0.000 1.197 644 P CA 0.623 63.449 63.100 -0.457 0.000 0.765 644 P CB -0.406 30.869 31.700 -0.709 0.000 0.936 645 F N -0.713 119.376 119.950 0.231 0.000 2.706 645 F HA 0.356 4.884 4.527 0.001 0.000 0.313 645 F C 1.085 177.138 175.800 0.422 0.000 1.096 645 F CA -0.322 57.857 58.000 0.298 0.000 1.219 645 F CB 0.390 39.462 39.000 0.121 0.000 1.051 645 F HN -0.283 nan 8.300 nan 0.000 0.568 646 I N 2.071 122.892 120.570 0.418 0.000 2.418 646 I HA 0.313 4.483 4.170 0.001 0.000 0.287 646 I C -1.002 175.123 176.117 0.013 0.000 1.008 646 I CA -0.602 60.865 61.300 0.279 0.000 1.104 646 I CB 2.428 40.529 38.000 0.168 0.000 1.264 646 I HN -0.068 nan 8.210 nan 0.000 0.438 647 L N 7.169 128.357 121.223 -0.058 0.000 2.313 647 L HA 0.625 4.965 4.340 0.001 0.000 0.283 647 L C -0.615 176.197 176.870 -0.097 0.000 1.013 647 L CA -0.548 54.075 54.840 -0.360 0.000 0.816 647 L CB 1.452 43.125 42.059 -0.643 0.000 1.236 647 L HN 0.714 nan 8.230 nan 0.000 0.419 648 R N 4.405 124.842 120.500 -0.105 0.000 2.569 648 R HA 0.453 4.793 4.340 0.001 0.000 0.293 648 R C -1.450 174.819 176.300 -0.051 0.000 1.186 648 R CA -0.729 55.350 56.100 -0.035 0.000 0.956 648 R CB 1.272 31.571 30.300 -0.002 0.000 1.196 648 R HN 0.601 nan 8.270 nan 0.000 0.444 649 R N 1.200 121.674 120.500 -0.044 0.000 2.536 649 R HA 0.439 4.779 4.340 0.001 0.000 0.279 649 R C -0.565 175.681 176.300 -0.091 0.000 1.001 649 R CA -0.238 55.812 56.100 -0.083 0.000 1.027 649 R CB 1.924 32.153 30.300 -0.119 0.000 1.096 649 R HN 0.446 nan 8.270 nan 0.000 0.502 650 T N 1.845 116.338 114.554 -0.102 0.000 2.823 650 T HA 0.163 4.513 4.350 0.001 0.000 0.279 650 T C 0.917 175.507 174.700 -0.184 0.000 0.998 650 T CA -0.813 61.236 62.100 -0.084 0.000 0.994 650 T CB 1.233 70.110 68.868 0.015 0.000 0.960 650 T HN 0.605 nan 8.240 nan 0.000 0.448 651 K N 2.030 122.256 120.400 -0.290 0.000 2.281 651 K HA -0.149 4.172 4.320 0.001 0.000 0.203 651 K C 0.639 176.952 176.600 -0.479 0.000 1.046 651 K CA 1.815 57.840 56.287 -0.437 0.000 0.938 651 K CB -0.257 31.905 32.500 -0.562 0.000 0.737 651 K HN 0.650 nan 8.250 nan 0.000 0.458 652 Y N 1.498 121.750 120.300 -0.080 0.000 2.482 652 Y HA 0.123 4.673 4.550 0.001 0.000 0.270 652 Y C -0.001 175.856 175.900 -0.072 0.000 1.152 652 Y CA -0.722 57.337 58.100 -0.068 0.000 1.292 652 Y CB 0.161 38.588 38.460 -0.054 0.000 1.070 652 Y HN -0.012 nan 8.280 nan 0.000 0.528 653 D N 1.582 121.987 120.400 0.008 0.000 2.451 653 D HA -0.059 4.582 4.640 0.001 0.000 0.254 653 D C 1.205 177.484 176.300 -0.035 0.000 1.204 653 D CA 0.370 54.356 54.000 -0.022 0.000 0.896 653 D CB 1.084 41.839 40.800 -0.074 0.000 1.136 653 D HN 0.110 nan 8.370 nan 0.000 0.499 654 K N 3.054 123.448 120.400 -0.011 0.000 2.059 654 K HA -0.264 4.057 4.320 0.001 0.000 0.212 654 K C 1.774 178.356 176.600 -0.029 0.000 1.050 654 K CA 1.756 58.035 56.287 -0.014 0.000 0.927 654 K CB -0.157 32.338 32.500 -0.008 0.000 0.714 654 K HN 0.448 nan 8.250 nan 0.000 0.447 655 A N 0.093 122.892 122.820 -0.034 0.000 2.032 655 A HA -0.165 4.155 4.320 0.001 0.000 0.221 655 A C 2.194 179.748 177.584 -0.050 0.000 1.165 655 A CA 1.806 53.823 52.037 -0.034 0.000 0.645 655 A CB -0.496 18.484 19.000 -0.033 0.000 0.807 655 A HN 0.515 nan 8.150 nan 0.000 0.453 656 I N -1.654 118.858 120.570 -0.096 0.000 3.526 656 I HA 0.084 4.254 4.170 0.001 0.000 0.294 656 I C 1.830 177.861 176.117 -0.143 0.000 1.229 656 I CA 0.217 61.416 61.300 -0.169 0.000 1.408 656 I CB 0.086 37.885 38.000 -0.336 0.000 1.127 656 I HN 0.244 nan 8.210 nan 0.000 0.439 657 I N 1.720 122.227 120.570 -0.105 0.000 2.236 657 I HA -0.390 3.780 4.170 0.001 0.000 0.249 657 I C 1.782 177.867 176.117 -0.052 0.000 1.102 657 I CA 1.772 63.024 61.300 -0.080 0.000 1.365 657 I CB -0.562 37.415 38.000 -0.040 0.000 1.051 657 I HN 0.400 nan 8.210 nan 0.000 0.420 658 N N 0.842 119.521 118.700 -0.035 0.000 2.080 658 N HA -0.165 4.575 4.740 0.001 0.000 0.189 658 N C 1.341 176.853 175.510 0.004 0.000 1.036 658 N CA 1.405 54.448 53.050 -0.012 0.000 0.846 658 N CB -0.326 38.159 38.487 -0.004 0.000 1.015 658 N HN 0.313 nan 8.380 nan 0.000 0.423 659 D N 0.338 120.749 120.400 0.019 0.000 2.309 659 D HA -0.056 4.584 4.640 0.001 0.000 0.212 659 D C 0.301 176.641 176.300 0.066 0.000 0.968 659 D CA 0.519 54.560 54.000 0.067 0.000 0.882 659 D CB 0.074 40.972 40.800 0.164 0.000 0.918 659 D HN 0.281 nan 8.370 nan 0.000 0.503 660 L N 2.188 123.424 121.223 0.020 0.000 2.375 660 L HA 0.248 4.589 4.340 0.001 0.000 0.271 660 L C -1.770 175.100 176.870 -0.001 0.000 1.107 660 L CA -1.767 53.079 54.840 0.010 0.000 0.806 660 L CB 0.777 42.807 42.059 -0.049 0.000 1.146 660 L HN -0.191 nan 8.230 nan 0.000 0.447 661 P HA 0.019 nan 4.420 nan 0.000 0.275 661 P C -0.198 177.096 177.300 -0.011 0.000 1.266 661 P CA -0.302 62.797 63.100 -0.001 0.000 0.793 661 P CB 0.886 32.587 31.700 0.003 0.000 1.074 662 D N -0.593 119.805 120.400 -0.004 0.000 2.117 662 D HA -0.107 4.534 4.640 0.001 0.000 0.198 662 D C 0.402 176.695 176.300 -0.012 0.000 0.982 662 D CA 1.380 55.378 54.000 -0.003 0.000 0.828 662 D CB 0.109 40.914 40.800 0.009 0.000 0.967 662 D HN 0.426 nan 8.370 nan 0.000 0.464 663 K N -0.225 120.167 120.400 -0.013 0.000 2.482 663 K HA 0.426 4.746 4.320 0.001 0.000 0.251 663 K C -1.192 175.384 176.600 -0.040 0.000 0.936 663 K CA -0.734 55.534 56.287 -0.031 0.000 0.791 663 K CB 1.769 34.258 32.500 -0.018 0.000 1.213 663 K HN -0.051 nan 8.250 nan 0.000 0.428 664 I N 2.055 122.583 120.570 -0.071 0.000 2.392 664 I HA 0.252 4.423 4.170 0.001 0.000 0.295 664 I C -0.498 175.552 176.117 -0.112 0.000 0.985 664 I CA -0.893 60.364 61.300 -0.071 0.000 1.221 664 I CB 1.928 39.883 38.000 -0.076 0.000 1.366 664 I HN 0.699 nan 8.210 nan 0.000 0.467 665 E N 3.580 123.736 120.200 -0.074 0.000 2.151 665 E HA 0.449 4.799 4.350 0.001 0.000 0.275 665 E C -0.811 175.749 176.600 -0.065 0.000 0.936 665 E CA -0.350 56.002 56.400 -0.082 0.000 0.777 665 E CB 1.562 31.251 29.700 -0.018 0.000 1.108 665 E HN 0.643 nan 8.360 nan 0.000 0.401 666 T N 0.995 115.490 114.554 -0.098 0.000 2.906 666 T HA 0.580 4.931 4.350 0.001 0.000 0.295 666 T C -0.556 174.146 174.700 0.004 0.000 1.061 666 T CA -1.167 60.925 62.100 -0.014 0.000 1.000 666 T CB 1.085 69.976 68.868 0.038 0.000 1.103 666 T HN 0.161 nan 8.240 nan 0.000 0.486 667 N N 1.359 120.066 118.700 0.011 0.000 2.444 667 N HA 0.496 5.236 4.740 0.001 0.000 0.262 667 N C -0.961 174.443 175.510 -0.177 0.000 0.974 667 N CA -0.526 52.449 53.050 -0.125 0.000 0.933 667 N CB 1.680 40.079 38.487 -0.148 0.000 1.137 667 N HN 0.575 nan 8.380 nan 0.000 0.498 668 V N 3.757 123.536 119.914 -0.226 0.000 2.350 668 V HA 0.320 4.441 4.120 0.001 0.000 0.276 668 V C -0.401 175.511 176.094 -0.303 0.000 1.028 668 V CA -0.616 61.591 62.300 -0.155 0.000 0.860 668 V CB -0.452 31.306 31.823 -0.107 0.000 0.990 668 V HN 0.455 nan 8.190 nan 0.000 0.453 669 Y N 3.223 123.511 120.300 -0.020 0.000 2.335 669 Y HA 0.672 5.222 4.550 0.001 0.000 0.323 669 Y C 0.632 176.509 175.900 -0.038 0.000 1.224 669 Y CA -0.577 57.509 58.100 -0.024 0.000 1.241 669 Y CB 1.495 39.951 38.460 -0.007 0.000 1.235 669 Y HN 0.753 nan 8.280 nan 0.000 0.492 670 C N 0.296 119.653 119.300 0.095 0.000 2.985 670 C HA 0.608 5.068 4.460 0.001 0.000 0.314 670 C C -1.280 173.725 174.990 0.026 0.000 1.215 670 C CA -1.671 57.362 59.018 0.026 0.000 1.414 670 C CB 0.894 28.604 27.740 -0.050 0.000 1.842 670 C HN 0.843 nan 8.230 nan 0.000 0.477 671 N N 0.744 119.449 118.700 0.008 0.000 2.372 671 N HA 0.650 5.391 4.740 0.001 0.000 0.291 671 N C -0.833 174.661 175.510 -0.026 0.000 1.024 671 N CA -0.525 52.520 53.050 -0.008 0.000 0.873 671 N CB 0.816 39.300 38.487 -0.004 0.000 1.206 671 N HN 0.649 nan 8.380 nan 0.000 0.486 672 L N 1.406 122.604 121.223 -0.042 0.000 2.490 672 L HA 0.110 4.450 4.340 0.001 0.000 0.274 672 L C 1.151 178.003 176.870 -0.028 0.000 1.201 672 L CA -0.190 54.626 54.840 -0.041 0.000 0.869 672 L CB 0.051 42.072 42.059 -0.063 0.000 1.123 672 L HN 0.706 nan 8.230 nan 0.000 0.484 673 T N 0.112 114.653 114.554 -0.021 0.000 2.856 673 T HA 0.118 4.468 4.350 0.001 0.000 0.306 673 T C -1.478 173.218 174.700 -0.006 0.000 1.062 673 T CA -1.407 60.684 62.100 -0.014 0.000 1.083 673 T CB 0.795 69.655 68.868 -0.014 0.000 0.984 673 T HN 0.485 nan 8.240 nan 0.000 0.542 674 P HA -0.119 nan 4.420 nan 0.000 0.218 674 P C 1.299 178.606 177.300 0.011 0.000 1.148 674 P CA 1.125 64.225 63.100 -0.000 0.000 0.822 674 P CB 0.172 31.871 31.700 -0.002 0.000 0.784 675 E N 0.682 120.892 120.200 0.016 0.000 2.001 675 E HA -0.235 4.116 4.350 0.001 0.000 0.195 675 E C 2.274 178.898 176.600 0.041 0.000 1.002 675 E CA 1.293 57.710 56.400 0.027 0.000 0.819 675 E CB -0.458 29.261 29.700 0.032 0.000 0.769 675 E HN 0.148 nan 8.360 nan 0.000 0.454 676 Q N 0.090 119.916 119.800 0.043 0.000 2.118 676 Q HA -0.282 4.059 4.340 0.001 0.000 0.211 676 Q C 2.230 178.281 176.000 0.085 0.000 0.998 676 Q CA 1.864 57.708 55.803 0.067 0.000 0.872 676 Q CB -0.375 28.392 28.738 0.048 0.000 0.925 676 Q HN 0.436 nan 8.270 nan 0.000 0.414 677 A N 1.071 123.916 122.820 0.042 0.000 1.873 677 A HA -0.248 4.072 4.320 0.001 0.000 0.218 677 A C 2.315 179.948 177.584 0.082 0.000 1.193 677 A CA 1.990 54.048 52.037 0.035 0.000 0.629 677 A CB -1.110 17.888 19.000 -0.002 0.000 0.826 677 A HN 0.460 nan 8.150 nan 0.000 0.447 678 A N -0.422 122.433 122.820 0.057 0.000 1.851 678 A HA -0.204 4.116 4.320 0.001 0.000 0.216 678 A C 2.279 179.905 177.584 0.070 0.000 1.195 678 A CA 2.118 54.186 52.037 0.052 0.000 0.622 678 A CB -0.715 18.304 19.000 0.032 0.000 0.831 678 A HN 0.551 nan 8.150 nan 0.000 0.444 679 M N -2.391 117.253 119.600 0.073 0.000 2.195 679 M HA -0.206 4.274 4.480 0.001 0.000 0.260 679 M C 2.207 178.555 176.300 0.080 0.000 1.066 679 M CA 2.044 57.383 55.300 0.065 0.000 1.089 679 M CB -0.560 32.079 32.600 0.065 0.000 1.377 679 M HN 0.619 nan 8.290 nan 0.000 0.411 680 Y N 0.991 121.294 120.300 0.005 0.000 2.114 680 Y HA -0.227 4.324 4.550 0.001 0.000 0.284 680 Y C 2.609 178.502 175.900 -0.011 0.000 1.119 680 Y CA 1.997 60.100 58.100 0.005 0.000 1.108 680 Y CB -0.281 38.184 38.460 0.009 0.000 0.995 680 Y HN 0.059 nan 8.280 nan 0.000 0.491 681 K N 0.282 120.826 120.400 0.240 0.000 2.089 681 K HA -0.277 4.044 4.320 0.001 0.000 0.210 681 K C 2.089 178.690 176.600 0.001 0.000 1.048 681 K CA 1.483 57.834 56.287 0.107 0.000 0.926 681 K CB -0.498 32.042 32.500 0.067 0.000 0.714 681 K HN 0.415 nan 8.250 nan 0.000 0.448 682 A N 1.676 124.500 122.820 0.007 0.000 1.829 682 A HA -0.200 4.121 4.320 0.001 0.000 0.216 682 A C 1.928 179.487 177.584 -0.042 0.000 1.207 682 A CA 1.773 53.801 52.037 -0.014 0.000 0.622 682 A CB -0.874 18.125 19.000 -0.001 0.000 0.846 682 A HN 0.420 nan 8.150 nan 0.000 0.447 683 E N -0.266 119.897 120.200 -0.062 0.000 2.394 683 E HA -0.127 4.224 4.350 0.001 0.000 0.202 683 E C 1.953 178.485 176.600 -0.113 0.000 1.029 683 E CA 1.005 57.352 56.400 -0.089 0.000 0.855 683 E CB -0.300 29.326 29.700 -0.124 0.000 0.770 683 E HN 0.395 nan 8.360 nan 0.000 0.527 684 V N 0.403 120.229 119.914 -0.146 0.000 2.374 684 V HA -0.160 3.960 4.120 0.001 0.000 0.241 684 V C 2.034 178.063 176.094 -0.108 0.000 1.034 684 V CA 1.287 63.491 62.300 -0.161 0.000 1.037 684 V CB -0.257 31.437 31.823 -0.216 0.000 0.682 684 V HN 0.187 nan 8.190 nan 0.000 0.463 685 E N 0.662 120.795 120.200 -0.113 0.000 2.118 685 E HA -0.287 4.063 4.350 0.001 0.000 0.195 685 E C 1.935 178.572 176.600 0.062 0.000 0.992 685 E CA 1.597 57.961 56.400 -0.060 0.000 0.804 685 E CB -0.299 29.372 29.700 -0.049 0.000 0.741 685 E HN 0.580 nan 8.360 nan 0.000 0.458 686 N N 0.596 119.322 118.700 0.043 0.000 2.443 686 N HA -0.146 4.594 4.740 0.001 0.000 0.184 686 N C 1.521 177.083 175.510 0.086 0.000 1.037 686 N CA 0.400 53.481 53.050 0.052 0.000 0.896 686 N CB 0.090 38.588 38.487 0.018 0.000 0.959 686 N HN 0.097 nan 8.380 nan 0.000 0.442 687 L N -1.274 120.048 121.223 0.164 0.000 2.354 687 L HA 0.335 4.676 4.340 0.001 0.000 0.212 687 L C 1.265 178.217 176.870 0.136 0.000 1.091 687 L CA 1.135 56.062 54.840 0.145 0.000 0.828 687 L CB -0.407 41.753 42.059 0.167 0.000 0.973 687 L HN 0.091 nan 8.230 nan 0.000 0.461 688 F N 0.169 120.103 119.950 -0.027 0.000 2.147 688 F HA 0.006 4.534 4.527 0.001 0.000 0.291 688 F C 1.862 177.653 175.800 -0.016 0.000 1.093 688 F CA 1.060 59.048 58.000 -0.020 0.000 1.263 688 F CB -0.401 38.589 39.000 -0.017 0.000 1.036 688 F HN 0.074 nan 8.300 nan 0.000 0.481 689 N N 0.527 119.341 118.700 0.189 0.000 2.678 689 N HA -0.097 4.644 4.740 0.001 0.000 0.199 689 N C -0.583 174.957 175.510 0.050 0.000 1.353 689 N CA 0.291 53.397 53.050 0.093 0.000 0.916 689 N CB -0.370 38.159 38.487 0.069 0.000 1.057 689 N HN 0.326 nan 8.380 nan 0.000 0.449 690 N N -0.031 118.691 118.700 0.038 0.000 2.550 690 N HA 0.217 4.957 4.740 0.001 0.000 0.277 690 N C -0.248 175.247 175.510 -0.025 0.000 1.595 690 N CA -0.040 53.014 53.050 0.007 0.000 0.888 690 N CB 0.779 39.272 38.487 0.011 0.000 1.424 690 N HN 0.108 nan 8.380 nan 0.000 0.501 691 I N -1.562 118.978 120.570 -0.051 0.000 4.547 691 I HA 0.180 4.350 4.170 0.001 0.000 0.303 691 I C 0.386 176.451 176.117 -0.087 0.000 1.188 691 I CA 0.365 61.605 61.300 -0.100 0.000 1.320 691 I CB 0.698 38.570 38.000 -0.213 0.000 1.495 691 I HN -0.124 nan 8.210 nan 0.000 0.462 692 D N 1.589 121.947 120.400 -0.070 0.000 2.133 692 D HA -0.240 4.401 4.640 0.001 0.000 0.192 692 D C 2.302 178.580 176.300 -0.038 0.000 1.001 692 D CA 2.255 56.225 54.000 -0.050 0.000 0.844 692 D CB -0.079 40.707 40.800 -0.024 0.000 0.944 692 D HN 0.524 nan 8.370 nan 0.000 0.447 693 S N 0.565 116.247 115.700 -0.029 0.000 2.404 693 S HA -0.147 4.323 4.470 0.001 0.000 0.216 693 S C 1.503 176.087 174.600 -0.027 0.000 1.039 693 S CA 1.204 59.390 58.200 -0.022 0.000 1.062 693 S CB -1.322 61.868 63.200 -0.016 0.000 1.046 693 S HN 0.238 nan 8.310 nan 0.000 0.415 694 V N -0.163 119.733 119.914 -0.030 0.000 3.549 694 V HA 0.505 4.625 4.120 0.001 0.000 0.300 694 V C 0.372 176.443 176.094 -0.038 0.000 1.154 694 V CA 0.349 62.630 62.300 -0.031 0.000 1.268 694 V CB -0.322 31.481 31.823 -0.033 0.000 1.054 694 V HN 0.969 nan 8.190 nan 0.000 0.501 695 T N -0.184 114.350 114.554 -0.034 0.000 2.674 695 T HA 0.591 4.941 4.350 0.001 0.000 0.298 695 T C 0.218 174.902 174.700 -0.027 0.000 1.775 695 T CA 0.742 62.821 62.100 -0.035 0.000 0.960 695 T CB 0.452 69.302 68.868 -0.030 0.000 1.976 695 T HN 2.905 nan 8.240 nan 0.000 0.459 696 G N 0.897 109.683 108.800 -0.023 0.000 2.633 696 G HA2 -0.198 3.763 3.960 0.001 0.000 0.263 696 G HA3 -0.198 3.763 3.960 0.001 0.000 0.263 696 G C 0.744 175.634 174.900 -0.017 0.000 1.310 696 G CA 0.323 45.413 45.100 -0.017 0.000 0.914 696 G HN 1.538 nan 8.290 nan 0.000 0.569 697 I N 0.326 120.888 120.570 -0.012 0.000 3.164 697 I HA 0.059 4.230 4.170 0.001 0.000 0.278 697 I C 1.947 178.056 176.117 -0.012 0.000 1.320 697 I CA 1.874 63.168 61.300 -0.010 0.000 1.422 697 I CB -0.202 37.795 38.000 -0.005 0.000 1.066 697 I HN 0.459 nan 8.210 nan 0.000 0.503 698 K N 0.430 120.821 120.400 -0.016 0.000 2.520 698 K HA 0.109 4.430 4.320 0.001 0.000 0.205 698 K C 1.590 178.175 176.600 -0.026 0.000 1.035 698 K CA 0.340 56.617 56.287 -0.017 0.000 1.188 698 K CB -0.328 32.163 32.500 -0.016 0.000 0.894 698 K HN 0.408 nan 8.250 nan 0.000 0.497 699 R N -1.184 119.297 120.500 -0.031 0.000 2.470 699 R HA 0.194 4.534 4.340 0.001 0.000 0.210 699 R C 1.403 177.676 176.300 -0.044 0.000 0.873 699 R CA -0.155 55.917 56.100 -0.046 0.000 1.015 699 R CB 0.153 30.420 30.300 -0.054 0.000 1.348 699 R HN -0.106 nan 8.270 nan 0.000 0.650 700 K N 0.226 120.607 120.400 -0.031 0.000 2.296 700 K HA 0.041 4.361 4.320 0.001 0.000 0.200 700 K C 1.428 178.016 176.600 -0.020 0.000 1.048 700 K CA 1.377 57.649 56.287 -0.026 0.000 0.966 700 K CB 0.262 32.754 32.500 -0.014 0.000 0.754 700 K HN 0.328 nan 8.250 nan 0.000 0.466 701 G N 0.772 109.562 108.800 -0.015 0.000 2.492 701 G HA2 -0.156 3.805 3.960 0.001 0.000 0.214 701 G HA3 -0.156 3.805 3.960 0.001 0.000 0.214 701 G C 1.483 176.377 174.900 -0.010 0.000 1.147 701 G CA 0.168 45.264 45.100 -0.007 0.000 0.809 701 G HN 0.233 nan 8.290 nan 0.000 0.533 702 M N 0.104 119.692 119.600 -0.020 0.000 2.099 702 M HA 0.097 4.578 4.480 0.001 0.000 0.262 702 M C 2.389 178.672 176.300 -0.028 0.000 1.067 702 M CA 1.319 56.605 55.300 -0.024 0.000 1.124 702 M CB -0.198 32.381 32.600 -0.035 0.000 1.353 702 M HN 0.182 nan 8.290 nan 0.000 0.410 703 I N 0.491 121.035 120.570 -0.043 0.000 2.090 703 I HA -0.307 3.864 4.170 0.001 0.000 0.236 703 I C 2.323 178.424 176.117 -0.028 0.000 1.064 703 I CA 0.964 62.234 61.300 -0.049 0.000 1.324 703 I CB -0.668 37.288 38.000 -0.074 0.000 1.044 703 I HN 0.363 nan 8.210 nan 0.000 0.399 704 L N 0.307 121.515 121.223 -0.025 0.000 2.270 704 L HA -0.244 4.097 4.340 0.001 0.000 0.217 704 L C 2.449 179.333 176.870 0.024 0.000 1.107 704 L CA 1.782 56.620 54.840 -0.003 0.000 0.772 704 L CB -0.772 41.288 42.059 0.001 0.000 0.902 704 L HN 0.159 nan 8.230 nan 0.000 0.439 705 S N -2.046 113.662 115.700 0.014 0.000 2.348 705 S HA -0.142 4.329 4.470 0.001 0.000 0.219 705 S C 1.876 176.487 174.600 0.018 0.000 1.033 705 S CA 1.444 59.657 58.200 0.021 0.000 0.974 705 S CB -0.281 62.925 63.200 0.009 0.000 0.868 705 S HN 0.616 nan 8.310 nan 0.000 0.459 706 T N 3.534 118.091 114.554 0.004 0.000 2.652 706 T HA -0.073 4.278 4.350 0.001 0.000 0.267 706 T C 1.745 176.446 174.700 0.002 0.000 1.039 706 T CA 1.704 63.800 62.100 -0.007 0.000 1.153 706 T CB -0.654 68.211 68.868 -0.004 0.000 0.863 706 T HN 0.305 nan 8.240 nan 0.000 0.428 707 L N 0.708 121.945 121.223 0.023 0.000 1.991 707 L HA -0.167 4.174 4.340 0.001 0.000 0.221 707 L C 2.417 179.360 176.870 0.122 0.000 1.079 707 L CA 1.541 56.422 54.840 0.068 0.000 0.778 707 L CB -0.890 41.211 42.059 0.070 0.000 0.893 707 L HN 0.297 nan 8.230 nan 0.000 0.437 708 L N -0.592 120.711 121.223 0.132 0.000 2.642 708 L HA -0.170 4.170 4.340 0.001 0.000 0.236 708 L C 2.285 179.208 176.870 0.089 0.000 1.169 708 L CA 0.919 55.877 54.840 0.197 0.000 0.851 708 L CB -0.491 41.690 42.059 0.203 0.000 0.968 708 L HN 0.353 nan 8.230 nan 0.000 0.453 709 K N -0.805 119.614 120.400 0.031 0.000 2.240 709 K HA 0.032 4.352 4.320 0.001 0.000 0.202 709 K C 1.903 178.497 176.600 -0.011 0.000 1.053 709 K CA 0.102 56.370 56.287 -0.032 0.000 0.973 709 K CB 0.099 32.574 32.500 -0.041 0.000 0.924 709 K HN 0.001 nan 8.250 nan 0.000 0.477 710 L N 2.471 123.687 121.223 -0.011 0.000 2.013 710 L HA -0.209 4.132 4.340 0.001 0.000 0.212 710 L C 2.039 179.015 176.870 0.176 0.000 1.073 710 L CA 1.804 56.650 54.840 0.010 0.000 0.753 710 L CB -0.584 41.419 42.059 -0.092 0.000 0.890 710 L HN 0.093 nan 8.230 nan 0.000 0.432 711 K N -1.005 119.520 120.400 0.208 0.000 2.063 711 K HA -0.235 4.085 4.320 0.001 0.000 0.208 711 K C 2.133 178.888 176.600 0.259 0.000 1.048 711 K CA 1.608 58.075 56.287 0.300 0.000 0.928 711 K CB -0.155 32.618 32.500 0.455 0.000 0.713 711 K HN 0.463 nan 8.250 nan 0.000 0.442 712 Q N 0.306 120.126 119.800 0.033 0.000 2.123 712 Q HA -0.048 4.292 4.340 0.001 0.000 0.199 712 Q C 2.125 178.140 176.000 0.024 0.000 0.966 712 Q CA 0.870 56.577 55.803 -0.159 0.000 0.845 712 Q CB 0.037 28.523 28.738 -0.419 0.000 0.907 712 Q HN 0.318 nan 8.270 nan 0.000 0.439 713 I N 0.421 121.030 120.570 0.066 0.000 2.127 713 I HA -0.281 3.889 4.170 0.001 0.000 0.241 713 I C 2.388 178.594 176.117 0.148 0.000 1.075 713 I CA 1.292 62.659 61.300 0.111 0.000 1.334 713 I CB -0.573 37.510 38.000 0.137 0.000 1.040 713 I HN 0.152 nan 8.210 nan 0.000 0.405 714 V N -0.951 119.069 119.914 0.177 0.000 2.287 714 V HA -0.292 3.829 4.120 0.001 0.000 0.248 714 V C 1.950 178.126 176.094 0.137 0.000 1.053 714 V CA 2.214 64.593 62.300 0.132 0.000 1.027 714 V CB -1.052 30.847 31.823 0.126 0.000 0.646 714 V HN 0.291 nan 8.190 nan 0.000 0.447 715 D N -0.542 120.001 120.400 0.238 0.000 2.103 715 D HA -0.052 4.589 4.640 0.001 0.000 0.190 715 D C 0.999 177.521 176.300 0.370 0.000 0.997 715 D CA 2.313 56.571 54.000 0.430 0.000 0.833 715 D CB -0.113 41.007 40.800 0.534 0.000 0.961 715 D HN 0.709 nan 8.370 nan 0.000 0.447 716 H N -2.733 116.426 119.070 0.148 0.000 3.141 716 H HA 0.081 4.638 4.556 0.001 0.000 0.309 716 H C -2.349 172.997 175.328 0.030 0.000 1.083 716 H CA -1.240 54.858 56.048 0.084 0.000 1.466 716 H CB 1.557 31.358 29.762 0.065 0.000 2.095 716 H HN -0.160 nan 8.280 nan 0.000 0.467 717 P HA -0.052 nan 4.420 nan 0.000 0.221 717 P C 1.090 178.428 177.300 0.063 0.000 1.150 717 P CA 1.312 64.516 63.100 0.174 0.000 0.800 717 P CB 0.099 31.889 31.700 0.149 0.000 0.787 718 A N 0.250 123.056 122.820 -0.023 0.000 2.139 718 A HA -0.138 4.182 4.320 0.001 0.000 0.221 718 A C 2.226 179.696 177.584 -0.190 0.000 1.159 718 A CA 1.053 52.945 52.037 -0.242 0.000 0.662 718 A CB -1.601 17.016 19.000 -0.638 0.000 0.796 718 A HN 0.185 nan 8.150 nan 0.000 0.463 719 L N -1.527 119.611 121.223 -0.141 0.000 2.376 719 L HA -0.025 4.316 4.340 0.001 0.000 0.219 719 L C 2.023 178.831 176.870 -0.104 0.000 1.133 719 L CA 0.537 55.301 54.840 -0.127 0.000 0.816 719 L CB -0.146 41.834 42.059 -0.132 0.000 0.933 719 L HN 0.433 nan 8.230 nan 0.000 0.449 720 L N -1.857 119.324 121.223 -0.070 0.000 2.738 720 L HA 0.070 4.411 4.340 0.001 0.000 0.175 720 L C 1.924 178.771 176.870 -0.039 0.000 1.125 720 L CA 0.061 54.868 54.840 -0.054 0.000 0.857 720 L CB -0.192 41.843 42.059 -0.040 0.000 1.300 720 L HN -0.110 nan 8.230 nan 0.000 0.499 721 K N 1.187 121.572 120.400 -0.024 0.000 2.515 721 K HA 0.081 4.401 4.320 0.001 0.000 0.196 721 K C 0.892 177.474 176.600 -0.030 0.000 1.038 721 K CA 0.558 56.835 56.287 -0.017 0.000 0.967 721 K CB -0.148 32.352 32.500 0.000 0.000 0.780 721 K HN 0.414 nan 8.250 nan 0.000 0.483 722 G N 0.341 109.110 108.800 -0.052 0.000 2.692 722 G HA2 -0.099 3.862 3.960 0.001 0.000 0.248 722 G HA3 -0.099 3.862 3.960 0.001 0.000 0.248 722 G C 0.336 175.199 174.900 -0.062 0.000 1.340 722 G CA -0.214 44.847 45.100 -0.065 0.000 0.896 722 G HN 0.647 nan 8.290 nan 0.000 0.570 723 G N -1.222 107.541 108.800 -0.061 0.000 2.460 723 G HA2 0.238 4.198 3.960 0.001 0.000 0.207 723 G HA3 0.238 4.198 3.960 0.001 0.000 0.207 723 G C -0.122 174.745 174.900 -0.054 0.000 1.170 723 G CA 0.911 45.984 45.100 -0.045 0.000 1.151 723 G HN 1.554 nan 8.290 nan 0.000 0.575 724 E N 1.100 121.283 120.200 -0.028 0.000 2.089 724 E HA 0.464 4.814 4.350 0.001 0.000 0.284 724 E C 0.275 176.869 176.600 -0.010 0.000 1.023 724 E CA -0.129 56.263 56.400 -0.013 0.000 0.819 724 E CB 0.463 30.173 29.700 0.018 0.000 1.076 724 E HN 0.381 nan 8.360 nan 0.000 0.396 725 Q N 2.525 122.288 119.800 -0.062 0.000 3.254 725 Q HA 0.076 4.416 4.340 0.001 0.000 0.315 725 Q C -0.448 175.636 176.000 0.140 0.000 1.405 725 Q CA -0.266 55.490 55.803 -0.078 0.000 0.966 725 Q CB 0.133 28.782 28.738 -0.148 0.000 1.706 725 Q HN 0.391 nan 8.270 nan 0.000 0.525 726 S N -2.152 113.705 115.700 0.262 0.000 2.681 726 S HA 0.341 4.811 4.470 0.001 0.000 0.299 726 S C 1.047 175.715 174.600 0.114 0.000 1.113 726 S CA -0.930 57.359 58.200 0.147 0.000 1.013 726 S CB 1.567 64.817 63.200 0.083 0.000 1.076 726 S HN 0.143 nan 8.310 nan 0.000 0.534 727 V N 1.982 121.915 119.914 0.032 0.000 2.427 727 V HA -0.164 3.957 4.120 0.001 0.000 0.248 727 V C 2.745 178.808 176.094 -0.053 0.000 1.051 727 V CA 1.660 63.949 62.300 -0.018 0.000 1.048 727 V CB -0.987 30.832 31.823 -0.006 0.000 0.666 727 V HN 0.824 nan 8.190 nan 0.000 0.456 728 R N 0.985 121.472 120.500 -0.022 0.000 2.159 728 R HA -0.143 4.197 4.340 0.001 0.000 0.237 728 R C 1.949 178.222 176.300 -0.045 0.000 1.131 728 R CA 1.168 57.255 56.100 -0.023 0.000 0.982 728 R CB -0.917 29.383 30.300 0.001 0.000 0.868 728 R HN 0.463 nan 8.270 nan 0.000 0.453 729 R N 0.647 121.104 120.500 -0.072 0.000 2.313 729 R HA 0.125 4.466 4.340 0.001 0.000 0.199 729 R C 0.277 176.448 176.300 -0.215 0.000 0.958 729 R CA 0.229 56.278 56.100 -0.085 0.000 1.047 729 R CB 0.304 30.649 30.300 0.074 0.000 0.955 729 R HN 0.020 nan 8.270 nan 0.000 0.481 730 S N -1.280 114.247 115.700 -0.288 0.000 2.614 730 S HA 0.357 4.827 4.470 0.001 0.000 0.288 730 S C 0.823 175.355 174.600 -0.114 0.000 1.137 730 S CA -0.734 57.326 58.200 -0.234 0.000 0.992 730 S CB 1.748 64.732 63.200 -0.361 0.000 1.026 730 S HN 0.229 nan 8.310 nan 0.000 0.486 731 G N 3.747 112.502 108.800 -0.076 0.000 2.422 731 G HA2 -0.113 3.848 3.960 0.001 0.000 0.218 731 G HA3 -0.113 3.848 3.960 0.001 0.000 0.218 731 G C 1.260 176.112 174.900 -0.079 0.000 1.140 731 G CA 0.601 45.665 45.100 -0.060 0.000 0.775 731 G HN 0.712 nan 8.290 nan 0.000 0.545 732 K N -0.877 119.453 120.400 -0.117 0.000 2.002 732 K HA -0.017 4.304 4.320 0.001 0.000 0.209 732 K C 2.481 179.010 176.600 -0.118 0.000 1.048 732 K CA 1.299 57.442 56.287 -0.240 0.000 0.930 732 K CB -0.232 31.970 32.500 -0.498 0.000 0.714 732 K HN 0.165 nan 8.250 nan 0.000 0.438 733 M N 1.024 120.640 119.600 0.026 0.000 2.149 733 M HA -0.123 4.358 4.480 0.001 0.000 0.261 733 M C 1.762 178.078 176.300 0.026 0.000 1.064 733 M CA 1.400 56.762 55.300 0.104 0.000 1.102 733 M CB -0.267 32.360 32.600 0.046 0.000 1.369 733 M HN 0.110 nan 8.290 nan 0.000 0.408 734 I N -1.169 119.392 120.570 -0.015 0.000 2.113 734 I HA -0.324 3.846 4.170 0.001 0.000 0.238 734 I C 2.517 178.631 176.117 -0.005 0.000 1.070 734 I CA 1.080 62.373 61.300 -0.010 0.000 1.332 734 I CB -0.423 37.567 38.000 -0.016 0.000 1.044 734 I HN 0.161 nan 8.210 nan 0.000 0.402 735 R N 0.452 120.939 120.500 -0.023 0.000 2.094 735 R HA -0.155 4.185 4.340 0.001 0.000 0.239 735 R C 2.340 178.621 176.300 -0.031 0.000 1.137 735 R CA 2.095 58.177 56.100 -0.030 0.000 0.943 735 R CB -1.354 28.911 30.300 -0.057 0.000 0.850 735 R HN 0.360 nan 8.270 nan 0.000 0.433 736 T N 1.612 116.150 114.554 -0.025 0.000 2.665 736 T HA -0.187 4.164 4.350 0.001 0.000 0.268 736 T C 1.904 176.624 174.700 0.033 0.000 1.035 736 T CA 1.656 63.768 62.100 0.019 0.000 1.151 736 T CB -0.115 68.836 68.868 0.138 0.000 0.862 736 T HN 0.094 nan 8.240 nan 0.000 0.438 737 M N 1.405 121.024 119.600 0.032 0.000 2.149 737 M HA -0.097 4.384 4.480 0.001 0.000 0.261 737 M C 2.208 178.526 176.300 0.030 0.000 1.064 737 M CA 1.523 56.838 55.300 0.025 0.000 1.102 737 M CB -1.102 31.506 32.600 0.014 0.000 1.369 737 M HN 0.496 nan 8.290 nan 0.000 0.408 738 E N 0.037 120.249 120.200 0.020 0.000 2.015 738 E HA -0.132 4.218 4.350 0.001 0.000 0.191 738 E C 2.190 178.799 176.600 0.015 0.000 0.991 738 E CA 1.108 57.522 56.400 0.024 0.000 0.802 738 E CB -0.371 29.343 29.700 0.022 0.000 0.759 738 E HN 0.426 nan 8.360 nan 0.000 0.447 739 I N 1.354 121.910 120.570 -0.023 0.000 2.151 739 I HA -0.273 3.897 4.170 0.001 0.000 0.243 739 I C 2.537 178.647 176.117 -0.012 0.000 1.080 739 I CA 0.825 62.080 61.300 -0.074 0.000 1.339 739 I CB -0.251 37.630 38.000 -0.199 0.000 1.039 739 I HN 0.149 nan 8.210 nan 0.000 0.409 740 I N 0.875 121.475 120.570 0.050 0.000 2.194 740 I HA -0.308 3.862 4.170 0.001 0.000 0.246 740 I C 2.446 178.673 176.117 0.184 0.000 1.093 740 I CA 1.844 63.245 61.300 0.169 0.000 1.355 740 I CB -1.036 37.086 38.000 0.203 0.000 1.046 740 I HN 0.358 nan 8.210 nan 0.000 0.413 741 E N -0.089 120.184 120.200 0.122 0.000 2.107 741 E HA -0.229 4.122 4.350 0.001 0.000 0.191 741 E C 2.067 178.720 176.600 0.088 0.000 0.982 741 E CA 0.915 57.383 56.400 0.113 0.000 0.809 741 E CB -0.031 29.718 29.700 0.082 0.000 0.756 741 E HN 0.484 nan 8.360 nan 0.000 0.459 742 E N 0.702 120.940 120.200 0.063 0.000 2.047 742 E HA -0.168 4.182 4.350 0.001 0.000 0.191 742 E C 2.059 178.693 176.600 0.057 0.000 0.987 742 E CA 0.923 57.357 56.400 0.057 0.000 0.799 742 E CB -0.054 29.672 29.700 0.044 0.000 0.752 742 E HN 0.211 nan 8.360 nan 0.000 0.449 743 A N 1.092 123.942 122.820 0.051 0.000 1.917 743 A HA -0.219 4.102 4.320 0.001 0.000 0.219 743 A C 2.201 179.810 177.584 0.041 0.000 1.182 743 A CA 1.336 53.402 52.037 0.048 0.000 0.633 743 A CB -0.795 18.229 19.000 0.040 0.000 0.819 743 A HN 0.346 nan 8.150 nan 0.000 0.448 744 L N -0.623 120.630 121.223 0.050 0.000 2.046 744 L HA -0.201 4.139 4.340 0.001 0.000 0.208 744 L C 1.929 178.827 176.870 0.048 0.000 1.077 744 L CA 1.632 56.495 54.840 0.038 0.000 0.747 744 L CB -0.604 41.525 42.059 0.117 0.000 0.896 744 L HN 0.344 nan 8.230 nan 0.000 0.432 745 D N -0.193 120.244 120.400 0.062 0.000 2.264 745 D HA -0.148 4.492 4.640 0.001 0.000 0.208 745 D C 1.576 177.913 176.300 0.063 0.000 0.966 745 D CA 0.905 54.940 54.000 0.059 0.000 0.864 745 D CB -0.041 40.796 40.800 0.062 0.000 0.933 745 D HN 0.419 nan 8.370 nan 0.000 0.499 746 E N -0.173 120.073 120.200 0.077 0.000 2.445 746 E HA 0.213 4.563 4.350 0.001 0.000 0.189 746 E C 0.948 177.651 176.600 0.171 0.000 1.069 746 E CA 0.057 56.525 56.400 0.114 0.000 0.871 746 E CB 0.165 29.925 29.700 0.099 0.000 0.991 746 E HN 0.199 nan 8.360 nan 0.000 0.481 747 G N 2.383 111.233 108.800 0.084 0.000 2.198 747 G HA2 -0.237 3.724 3.960 0.001 0.000 0.260 747 G HA3 -0.237 3.724 3.960 0.001 0.000 0.260 747 G C -0.219 174.710 174.900 0.048 0.000 1.025 747 G CA 0.397 45.511 45.100 0.022 0.000 0.769 747 G HN 0.236 nan 8.290 nan 0.000 0.507 748 D N -0.329 120.127 120.400 0.092 0.000 2.451 748 D HA 0.548 5.189 4.640 0.001 0.000 0.259 748 D C 0.575 176.853 176.300 -0.036 0.000 1.201 748 D CA -0.057 54.004 54.000 0.102 0.000 1.028 748 D CB 0.636 41.488 40.800 0.086 0.000 1.095 748 D HN 0.168 nan 8.370 nan 0.000 0.539 749 K N 0.421 120.812 120.400 -0.014 0.000 2.502 749 K HA 0.416 4.737 4.320 0.001 0.000 0.254 749 K C -1.001 175.622 176.600 0.038 0.000 0.947 749 K CA -0.630 55.641 56.287 -0.027 0.000 0.834 749 K CB 1.230 33.721 32.500 -0.016 0.000 1.112 749 K HN 0.209 nan 8.250 nan 0.000 0.427 750 I N 1.989 122.500 120.570 -0.099 0.000 2.525 750 I HA 0.455 4.625 4.170 0.001 0.000 0.301 750 I C -0.222 175.868 176.117 -0.046 0.000 0.992 750 I CA -0.515 60.757 61.300 -0.047 0.000 1.162 750 I CB 1.983 39.935 38.000 -0.081 0.000 1.332 750 I HN 0.535 nan 8.210 nan 0.000 0.458 751 A N 6.663 129.446 122.820 -0.062 0.000 2.335 751 A HA 0.843 5.163 4.320 0.001 0.000 0.304 751 A C -0.747 176.725 177.584 -0.188 0.000 1.118 751 A CA -0.454 51.429 52.037 -0.256 0.000 0.757 751 A CB 0.557 19.391 19.000 -0.277 0.000 1.188 751 A HN 0.603 nan 8.150 nan 0.000 0.460 752 I N 1.860 122.292 120.570 -0.231 0.000 2.378 752 I HA 0.449 4.619 4.170 0.001 0.000 0.291 752 I C -1.243 174.756 176.117 -0.198 0.000 0.992 752 I CA -0.359 60.890 61.300 -0.084 0.000 1.154 752 I CB 1.424 39.432 38.000 0.014 0.000 1.315 752 I HN 0.507 nan 8.210 nan 0.000 0.448 753 F N 3.263 123.281 119.950 0.114 0.000 2.458 753 F HA 0.503 5.030 4.527 0.001 0.000 0.336 753 F C 0.530 176.451 175.800 0.201 0.000 1.114 753 F CA -0.472 57.628 58.000 0.167 0.000 0.987 753 F CB 2.092 41.247 39.000 0.259 0.000 1.130 753 F HN 0.312 nan 8.300 nan 0.000 0.458 754 T N 2.788 117.538 114.554 0.327 0.000 2.921 754 T HA 0.167 4.517 4.350 0.001 0.000 0.297 754 T C 0.607 175.386 174.700 0.131 0.000 1.013 754 T CA -0.416 61.816 62.100 0.219 0.000 0.990 754 T CB 1.622 70.519 68.868 0.048 0.000 1.023 754 T HN 0.804 nan 8.240 nan 0.000 0.447 755 Q N 3.211 122.975 119.800 -0.061 0.000 2.077 755 Q HA -0.055 4.285 4.340 0.001 0.000 0.206 755 Q C -0.452 175.324 176.000 -0.373 0.000 0.989 755 Q CA 1.709 57.290 55.803 -0.371 0.000 0.853 755 Q CB -0.080 28.137 28.738 -0.868 0.000 0.907 755 Q HN 0.719 nan 8.270 nan 0.000 0.418 756 F N -0.410 119.619 119.950 0.132 0.000 2.410 756 F HA 0.198 4.725 4.527 0.001 0.000 0.349 756 F C 1.054 176.912 175.800 0.097 0.000 1.117 756 F CA -0.991 57.069 58.000 0.099 0.000 1.104 756 F CB 1.151 40.195 39.000 0.073 0.000 1.122 756 F HN -0.243 nan 8.300 nan 0.000 0.483 757 V N 1.877 121.955 119.914 0.273 0.000 2.380 757 V HA -0.288 3.832 4.120 0.001 0.000 0.251 757 V C 1.577 177.785 176.094 0.189 0.000 1.063 757 V CA 2.070 64.508 62.300 0.231 0.000 1.055 757 V CB -0.366 31.504 31.823 0.079 0.000 0.657 757 V HN 0.778 nan 8.190 nan 0.000 0.455 758 D N -0.902 119.563 120.400 0.108 0.000 2.183 758 D HA -0.124 4.517 4.640 0.001 0.000 0.203 758 D C 1.991 178.264 176.300 -0.044 0.000 0.969 758 D CA 1.007 55.014 54.000 0.010 0.000 0.842 758 D CB -0.148 40.639 40.800 -0.020 0.000 0.957 758 D HN 0.389 nan 8.370 nan 0.000 0.484 759 M N 1.050 120.658 119.600 0.013 0.000 2.296 759 M HA 0.033 4.514 4.480 0.001 0.000 0.265 759 M C 1.853 178.007 176.300 -0.243 0.000 1.064 759 M CA 1.208 56.466 55.300 -0.070 0.000 1.109 759 M CB -0.585 32.054 32.600 0.066 0.000 1.396 759 M HN -0.032 nan 8.290 nan 0.000 0.430 760 G N -0.045 108.635 108.800 -0.200 0.000 2.433 760 G HA2 -0.218 3.743 3.960 0.001 0.000 0.216 760 G HA3 -0.218 3.743 3.960 0.001 0.000 0.216 760 G C 1.648 176.034 174.900 -0.856 0.000 1.186 760 G CA 0.871 45.670 45.100 -0.502 0.000 0.779 760 G HN 0.491 nan 8.290 nan 0.000 0.543 761 K N -0.070 119.952 120.400 -0.630 0.000 2.063 761 K HA -0.007 4.314 4.320 0.001 0.000 0.208 761 K C 2.448 178.844 176.600 -0.339 0.000 1.048 761 K CA 1.011 57.016 56.287 -0.470 0.000 0.928 761 K CB -0.264 32.144 32.500 -0.153 0.000 0.713 761 K HN 0.332 nan 8.250 nan 0.000 0.442 762 I N 1.049 121.461 120.570 -0.263 0.000 2.127 762 I HA -0.330 3.840 4.170 0.001 0.000 0.241 762 I C 2.300 178.288 176.117 -0.214 0.000 1.075 762 I CA 1.433 62.620 61.300 -0.189 0.000 1.334 762 I CB -0.394 37.530 38.000 -0.127 0.000 1.040 762 I HN 0.144 nan 8.210 nan 0.000 0.405 763 I N 0.355 120.742 120.570 -0.305 0.000 2.118 763 I HA -0.384 3.786 4.170 0.001 0.000 0.241 763 I C 2.857 178.790 176.117 -0.307 0.000 1.070 763 I CA 1.584 62.695 61.300 -0.315 0.000 1.327 763 I CB -0.601 37.139 38.000 -0.433 0.000 1.034 763 I HN 0.279 nan 8.210 nan 0.000 0.405 764 R N 1.281 121.542 120.500 -0.397 0.000 2.094 764 R HA -0.236 4.105 4.340 0.001 0.000 0.239 764 R C 2.149 178.312 176.300 -0.227 0.000 1.137 764 R CA 2.353 58.256 56.100 -0.328 0.000 0.943 764 R CB -0.369 29.709 30.300 -0.371 0.000 0.850 764 R HN 0.392 nan 8.270 nan 0.000 0.433 765 N N 1.072 119.654 118.700 -0.198 0.000 2.005 765 N HA -0.224 4.517 4.740 0.001 0.000 0.199 765 N C 2.020 177.456 175.510 -0.122 0.000 1.054 765 N CA 2.040 55.011 53.050 -0.132 0.000 0.864 765 N CB -0.697 37.723 38.487 -0.111 0.000 1.063 765 N HN 0.300 nan 8.380 nan 0.000 0.428 766 I N 1.042 121.543 120.570 -0.116 0.000 2.091 766 I HA -0.316 3.854 4.170 0.001 0.000 0.240 766 I C 2.228 178.266 176.117 -0.131 0.000 1.046 766 I CA 1.353 62.597 61.300 -0.093 0.000 1.306 766 I CB -0.481 37.479 38.000 -0.067 0.000 1.018 766 I HN 0.092 nan 8.210 nan 0.000 0.404 767 I N 0.474 120.924 120.570 -0.200 0.000 2.113 767 I HA -0.322 3.849 4.170 0.001 0.000 0.238 767 I C 2.676 178.642 176.117 -0.252 0.000 1.070 767 I CA 1.702 62.822 61.300 -0.300 0.000 1.332 767 I CB -0.417 37.273 38.000 -0.516 0.000 1.044 767 I HN 0.255 nan 8.210 nan 0.000 0.402 768 E N 1.073 121.145 120.200 -0.213 0.000 2.114 768 E HA -0.332 4.019 4.350 0.001 0.000 0.199 768 E C 2.105 178.652 176.600 -0.090 0.000 1.008 768 E CA 2.015 58.334 56.400 -0.135 0.000 0.810 768 E CB -0.004 29.636 29.700 -0.100 0.000 0.739 768 E HN 0.306 nan 8.360 nan 0.000 0.456 769 K N 0.213 120.562 120.400 -0.084 0.000 1.991 769 K HA -0.106 4.214 4.320 0.001 0.000 0.208 769 K C 1.896 178.468 176.600 -0.048 0.000 1.038 769 K CA 1.366 57.621 56.287 -0.054 0.000 0.943 769 K CB -0.047 32.425 32.500 -0.046 0.000 0.736 769 K HN 0.047 nan 8.250 nan 0.000 0.440 770 E N 0.303 120.469 120.200 -0.056 0.000 2.444 770 E HA -0.184 4.166 4.350 0.001 0.000 0.204 770 E C 0.865 177.444 176.600 -0.035 0.000 1.049 770 E CA 0.876 57.250 56.400 -0.042 0.000 0.872 770 E CB 0.021 29.692 29.700 -0.047 0.000 0.791 770 E HN 0.422 nan 8.360 nan 0.000 0.548 771 L N -0.464 120.731 121.223 -0.046 0.000 3.429 771 L HA 0.179 4.519 4.340 0.001 0.000 0.311 771 L C -0.600 176.272 176.870 0.004 0.000 1.274 771 L CA -0.643 54.188 54.840 -0.015 0.000 1.037 771 L CB -0.007 42.038 42.059 -0.022 0.000 1.433 771 L HN -0.133 nan 8.230 nan 0.000 0.614 772 N N 1.863 120.559 118.700 -0.007 0.000 2.650 772 N HA -0.187 4.553 4.740 0.001 0.000 0.300 772 N C -0.183 175.342 175.510 0.025 0.000 1.197 772 N CA 1.516 54.570 53.050 0.006 0.000 0.746 772 N CB -0.335 38.160 38.487 0.014 0.000 0.976 772 N HN 0.470 nan 8.380 nan 0.000 0.558 773 T N -0.494 114.072 114.554 0.020 0.000 3.033 773 T HA 0.200 4.551 4.350 0.001 0.000 0.362 773 T C -1.534 173.196 174.700 0.049 0.000 1.723 773 T CA -0.854 61.281 62.100 0.059 0.000 1.110 773 T CB 1.030 69.970 68.868 0.119 0.000 1.515 773 T HN 0.348 nan 8.240 nan 0.000 0.484 774 E N 1.898 122.145 120.200 0.079 0.000 2.354 774 E HA 0.530 4.881 4.350 0.001 0.000 0.269 774 E C -0.851 175.812 176.600 0.105 0.000 1.036 774 E CA -0.489 55.956 56.400 0.073 0.000 0.876 774 E CB 0.839 30.587 29.700 0.079 0.000 1.009 774 E HN 0.412 nan 8.360 nan 0.000 0.416 775 V N 7.085 127.035 119.914 0.060 0.000 2.384 775 V HA 0.214 4.334 4.120 0.001 0.000 0.257 775 V C -2.255 173.878 176.094 0.064 0.000 0.969 775 V CA -1.410 60.923 62.300 0.055 0.000 0.910 775 V CB 0.821 32.600 31.823 -0.073 0.000 1.150 775 V HN 0.686 nan 8.190 nan 0.000 0.481 776 P HA -0.047 nan 4.420 nan 0.000 0.260 776 P C -0.773 176.612 177.300 0.141 0.000 1.172 776 P CA 0.313 63.475 63.100 0.103 0.000 0.760 776 P CB 0.520 32.272 31.700 0.088 0.000 0.773 777 F N 5.793 125.738 119.950 -0.008 0.000 2.427 777 F HA 0.522 5.049 4.527 0.001 0.000 0.346 777 F C -1.141 174.680 175.800 0.036 0.000 1.120 777 F CA -2.081 55.930 58.000 0.018 0.000 1.033 777 F CB 1.046 40.090 39.000 0.074 0.000 1.126 777 F HN 0.101 nan 8.300 nan 0.000 0.462 778 L N 9.190 130.429 121.223 0.027 0.000 2.356 778 L HA 0.617 4.957 4.340 0.001 0.000 0.277 778 L C -1.980 174.680 176.870 -0.350 0.000 0.996 778 L CA -0.664 53.997 54.840 -0.299 0.000 0.822 778 L CB 1.187 43.128 42.059 -0.197 0.000 1.256 778 L HN 0.548 nan 8.230 nan 0.000 0.413 779 Y N 2.259 122.228 120.300 -0.552 0.000 2.588 779 Y HA 0.802 5.352 4.550 0.001 0.000 0.343 779 Y C 0.871 176.539 175.900 -0.386 0.000 1.065 779 Y CA -0.777 57.062 58.100 -0.435 0.000 1.038 779 Y CB 0.551 38.674 38.460 -0.563 0.000 1.297 779 Y HN 0.658 nan 8.280 nan 0.000 0.467 780 G N 0.836 109.522 108.800 -0.190 0.000 2.908 780 G HA2 -0.263 3.698 3.960 0.001 0.000 0.218 780 G HA3 -0.263 3.698 3.960 0.001 0.000 0.218 780 G C -0.052 174.660 174.900 -0.315 0.000 1.311 780 G CA 0.951 45.877 45.100 -0.289 0.000 0.787 780 G HN 0.804 nan 8.290 nan 0.000 0.700 781 E N 0.357 120.520 120.200 -0.062 0.000 2.734 781 E HA 0.251 4.601 4.350 0.001 0.000 0.235 781 E C -0.980 175.480 176.600 -0.234 0.000 1.107 781 E CA 0.092 56.460 56.400 -0.053 0.000 0.951 781 E CB 0.025 29.774 29.700 0.083 0.000 0.955 781 E HN 0.173 nan 8.360 nan 0.000 0.515 782 L N 2.412 123.464 121.223 -0.285 0.000 3.586 782 L HA -0.001 4.339 4.340 0.001 0.000 0.267 782 L C -0.450 176.271 176.870 -0.248 0.000 0.980 782 L CA -0.148 54.479 54.840 -0.356 0.000 1.199 782 L CB 1.428 43.084 42.059 -0.672 0.000 1.946 782 L HN 0.457 nan 8.230 nan 0.000 0.595 783 S N 2.843 118.448 115.700 -0.157 0.000 2.573 783 S HA 0.006 4.476 4.470 0.001 0.000 0.297 783 S C 1.352 175.884 174.600 -0.113 0.000 1.280 783 S CA 0.629 58.767 58.200 -0.104 0.000 1.061 783 S CB 0.636 63.795 63.200 -0.069 0.000 0.812 783 S HN 0.830 nan 8.310 nan 0.000 0.500 784 K N 2.847 123.202 120.400 -0.075 0.000 2.107 784 K HA -0.297 4.023 4.320 0.001 0.000 0.211 784 K C 2.148 178.714 176.600 -0.056 0.000 1.049 784 K CA 2.084 58.337 56.287 -0.057 0.000 0.927 784 K CB -0.325 32.167 32.500 -0.013 0.000 0.714 784 K HN 0.791 nan 8.250 nan 0.000 0.452 785 K N 0.605 120.977 120.400 -0.046 0.000 2.059 785 K HA -0.242 4.079 4.320 0.001 0.000 0.212 785 K C 1.779 178.348 176.600 -0.052 0.000 1.050 785 K CA 2.289 58.554 56.287 -0.038 0.000 0.927 785 K CB -0.041 32.441 32.500 -0.031 0.000 0.714 785 K HN 0.332 nan 8.250 nan 0.000 0.447 786 E N -0.108 120.042 120.200 -0.083 0.000 2.028 786 E HA -0.159 4.191 4.350 0.001 0.000 0.191 786 E C 2.196 178.722 176.600 -0.122 0.000 0.988 786 E CA 1.178 57.514 56.400 -0.105 0.000 0.799 786 E CB -0.061 29.549 29.700 -0.151 0.000 0.755 786 E HN 0.265 nan 8.360 nan 0.000 0.447 787 R N 0.999 121.399 120.500 -0.165 0.000 2.119 787 R HA -0.191 4.150 4.340 0.001 0.000 0.246 787 R C 1.900 178.155 176.300 -0.074 0.000 1.146 787 R CA 1.769 57.770 56.100 -0.164 0.000 0.962 787 R CB -0.282 29.906 30.300 -0.187 0.000 0.863 787 R HN 0.196 nan 8.270 nan 0.000 0.442 788 D N 0.419 120.791 120.400 -0.047 0.000 2.077 788 D HA -0.128 4.512 4.640 0.001 0.000 0.196 788 D C 1.544 177.843 176.300 -0.001 0.000 0.986 788 D CA 1.264 55.259 54.000 -0.009 0.000 0.829 788 D CB -0.492 40.305 40.800 -0.005 0.000 0.983 788 D HN 0.154 nan 8.370 nan 0.000 0.453 789 D N 0.331 120.723 120.400 -0.012 0.000 2.182 789 D HA -0.121 4.519 4.640 0.001 0.000 0.201 789 D C 2.296 178.604 176.300 0.012 0.000 0.986 789 D CA 0.441 54.440 54.000 -0.000 0.000 0.847 789 D CB -0.158 40.636 40.800 -0.009 0.000 0.942 789 D HN 0.291 nan 8.370 nan 0.000 0.467 790 I N 0.542 121.110 120.570 -0.003 0.000 2.162 790 I HA -0.185 3.985 4.170 0.001 0.000 0.238 790 I C 2.533 178.689 176.117 0.064 0.000 1.076 790 I CA 0.628 61.937 61.300 0.015 0.000 1.353 790 I CB -0.033 37.945 38.000 -0.036 0.000 1.063 790 I HN -0.101 nan 8.210 nan 0.000 0.408 791 I N -0.033 120.568 120.570 0.052 0.000 2.361 791 I HA -0.320 3.851 4.170 0.001 0.000 0.251 791 I C 2.719 178.915 176.117 0.131 0.000 1.133 791 I CA 1.225 62.595 61.300 0.117 0.000 1.413 791 I CB -0.053 37.999 38.000 0.087 0.000 1.073 791 I HN 0.247 nan 8.210 nan 0.000 0.424 792 S N 0.635 116.380 115.700 0.075 0.000 2.368 792 S HA -0.240 4.230 4.470 0.001 0.000 0.224 792 S C 2.090 176.723 174.600 0.055 0.000 1.029 792 S CA 1.561 59.793 58.200 0.053 0.000 0.988 792 S CB -0.088 63.130 63.200 0.031 0.000 0.838 792 S HN 0.210 nan 8.310 nan 0.000 0.462 793 K N 0.534 120.977 120.400 0.073 0.000 2.103 793 K HA -0.041 4.279 4.320 0.001 0.000 0.207 793 K C 1.689 178.361 176.600 0.120 0.000 1.048 793 K CA 1.586 57.920 56.287 0.079 0.000 0.930 793 K CB -0.781 31.769 32.500 0.084 0.000 0.716 793 K HN 0.492 nan 8.250 nan 0.000 0.444 794 F N 0.885 120.838 119.950 0.006 0.000 2.234 794 F HA -0.058 4.469 4.527 0.001 0.000 0.296 794 F C 1.899 177.699 175.800 -0.000 0.000 1.089 794 F CA 1.097 59.099 58.000 0.004 0.000 1.343 794 F CB -0.198 38.803 39.000 0.001 0.000 1.040 794 F HN 0.029 nan 8.300 nan 0.000 0.498 795 Q N 0.981 120.700 119.800 -0.135 0.000 1.917 795 Q HA -0.172 4.169 4.340 0.001 0.000 0.205 795 Q C 2.030 177.905 176.000 -0.207 0.000 0.988 795 Q CA 1.841 57.511 55.803 -0.222 0.000 0.851 795 Q CB -1.094 27.615 28.738 -0.047 0.000 0.916 795 Q HN 0.436 nan 8.270 nan 0.000 0.424 796 N N 1.326 119.965 118.700 -0.101 0.000 2.028 796 N HA -0.154 4.586 4.740 0.001 0.000 0.194 796 N C 0.681 176.138 175.510 -0.089 0.000 1.050 796 N CA 0.445 53.447 53.050 -0.080 0.000 0.848 796 N CB -1.059 37.404 38.487 -0.040 0.000 1.038 796 N HN 0.325 nan 8.380 nan 0.000 0.423 797 N N 3.036 121.698 118.700 -0.063 0.000 2.386 797 N HA -0.043 4.697 4.740 0.001 0.000 0.273 797 N C -1.623 173.839 175.510 -0.080 0.000 1.331 797 N CA -0.864 52.157 53.050 -0.048 0.000 0.891 797 N CB 1.301 39.783 38.487 -0.007 0.000 1.139 797 N HN 0.163 nan 8.380 nan 0.000 0.487 798 P HA -0.013 nan 4.420 nan 0.000 0.236 798 P C 0.430 177.695 177.300 -0.058 0.000 1.177 798 P CA 0.623 63.669 63.100 -0.090 0.000 0.773 798 P CB 0.407 32.058 31.700 -0.082 0.000 0.878 799 S N 0.010 115.694 115.700 -0.026 0.000 2.371 799 S HA -0.005 4.465 4.470 0.001 0.000 0.224 799 S C 1.167 175.787 174.600 0.033 0.000 1.029 799 S CA 0.325 58.527 58.200 0.004 0.000 0.978 799 S CB -0.889 62.320 63.200 0.015 0.000 0.833 799 S HN -0.015 nan 8.310 nan 0.000 0.466 800 V N 3.306 123.248 119.914 0.047 0.000 2.450 800 V HA 0.085 4.206 4.120 0.001 0.000 0.281 800 V C 0.919 177.082 176.094 0.115 0.000 1.019 800 V CA 0.498 62.871 62.300 0.122 0.000 1.062 800 V CB 0.500 32.424 31.823 0.168 0.000 0.979 800 V HN 0.353 nan 8.190 nan 0.000 0.477 801 K N 3.485 123.962 120.400 0.128 0.000 2.373 801 K HA 0.321 4.641 4.320 0.001 0.000 0.200 801 K C -0.474 175.986 176.600 -0.234 0.000 1.054 801 K CA 0.256 56.502 56.287 -0.068 0.000 1.065 801 K CB 0.561 32.922 32.500 -0.231 0.000 0.886 801 K HN 0.516 nan 8.250 nan 0.000 0.546 802 F N 0.252 120.319 119.950 0.194 0.000 2.611 802 F HA 0.548 5.075 4.527 0.001 0.000 0.324 802 F C -0.600 175.110 175.800 -0.149 0.000 1.061 802 F CA -1.337 56.683 58.000 0.034 0.000 0.954 802 F CB 1.699 40.687 39.000 -0.020 0.000 1.301 802 F HN -0.284 nan 8.300 nan 0.000 0.482 803 I N 1.326 121.794 120.570 -0.171 0.000 2.715 803 I HA 0.542 4.712 4.170 0.001 0.000 0.288 803 I C -1.957 173.979 176.117 -0.302 0.000 1.371 803 I CA -0.281 60.784 61.300 -0.392 0.000 1.056 803 I CB 1.447 38.821 38.000 -1.044 0.000 1.339 803 I HN 0.301 nan 8.210 nan 0.000 0.425 804 V N 7.560 127.380 119.914 -0.158 0.000 2.630 804 V HA 0.650 4.770 4.120 0.001 0.000 0.305 804 V C -0.636 175.454 176.094 -0.007 0.000 1.046 804 V CA -0.559 61.655 62.300 -0.143 0.000 0.934 804 V CB 1.733 33.425 31.823 -0.219 0.000 1.003 804 V HN 0.535 nan 8.190 nan 0.000 0.451 805 L N 2.923 124.092 121.223 -0.089 0.000 2.464 805 L HA 0.602 4.943 4.340 0.001 0.000 0.266 805 L C -0.255 176.746 176.870 0.219 0.000 0.965 805 L CA -0.070 54.774 54.840 0.006 0.000 0.833 805 L CB 2.404 44.266 42.059 -0.328 0.000 1.296 805 L HN 0.527 nan 8.230 nan 0.000 0.405 806 S N 2.068 117.945 115.700 0.295 0.000 2.539 806 S HA 0.698 5.169 4.470 0.001 0.000 0.235 806 S C -0.571 174.172 174.600 0.239 0.000 1.326 806 S CA -0.659 57.720 58.200 0.299 0.000 1.183 806 S CB 1.123 64.535 63.200 0.354 0.000 1.073 806 S HN 0.412 nan 8.310 nan 0.000 0.480 807 V N 1.237 121.323 119.914 0.286 0.000 2.876 807 V HA 0.657 4.778 4.120 0.001 0.000 0.312 807 V C 0.413 176.694 176.094 0.313 0.000 1.085 807 V CA -0.894 61.614 62.300 0.346 0.000 0.945 807 V CB 2.173 34.261 31.823 0.442 0.000 1.017 807 V HN 0.623 nan 8.190 nan 0.000 0.428 808 K N 2.295 122.877 120.400 0.303 0.000 2.306 808 K HA 0.531 4.851 4.320 0.001 0.000 0.200 808 K C 1.110 177.746 176.600 0.059 0.000 1.083 808 K CA 0.616 56.992 56.287 0.148 0.000 0.959 808 K CB 0.609 33.181 32.500 0.120 0.000 0.994 808 K HN 1.067 nan 8.250 nan 0.000 0.492 809 A N 0.648 123.455 122.820 -0.022 0.000 2.567 809 A HA 0.132 4.452 4.320 0.001 0.000 0.236 809 A C 1.308 178.771 177.584 -0.201 0.000 1.088 809 A CA 0.732 52.569 52.037 -0.333 0.000 0.776 809 A CB -0.323 17.962 19.000 -1.191 0.000 1.033 809 A HN 0.517 nan 8.150 nan 0.000 0.513 810 G N -0.183 108.479 108.800 -0.230 0.000 2.442 810 G HA2 0.322 4.282 3.960 0.001 0.000 0.219 810 G HA3 0.322 4.282 3.960 0.001 0.000 0.219 810 G C 0.878 175.698 174.900 -0.135 0.000 1.141 810 G CA 1.229 46.225 45.100 -0.174 0.000 0.763 810 G HN 2.227 nan 8.290 nan 0.000 0.554 811 G N -1.334 107.405 108.800 -0.101 0.000 2.936 811 G HA2 0.265 4.225 3.960 0.001 0.000 0.227 811 G HA3 0.265 4.225 3.960 0.001 0.000 0.227 811 G C 0.240 175.233 174.900 0.156 0.000 3.708 811 G CA -0.214 44.995 45.100 0.183 0.000 0.519 811 G HN 0.008 nan 8.290 nan 0.000 0.369 812 F N 1.166 121.208 119.950 0.153 0.000 2.037 812 F HA 0.066 4.594 4.527 0.001 0.000 0.296 812 F C 2.142 177.998 175.800 0.093 0.000 1.132 812 F CA 2.624 60.679 58.000 0.092 0.000 1.211 812 F CB -0.151 38.887 39.000 0.064 0.000 0.951 812 F HN 0.777 nan 8.300 nan 0.000 0.503 813 G N -0.577 108.445 108.800 0.370 0.000 4.377 813 G HA2 0.419 4.379 3.960 0.001 0.000 0.251 813 G HA3 0.419 4.379 3.960 0.001 0.000 0.251 813 G C -0.961 174.073 174.900 0.225 0.000 2.912 813 G CA -0.568 44.673 45.100 0.235 0.000 0.606 813 G HN 0.147 nan 8.290 nan 0.000 0.282 814 I N 1.428 122.184 120.570 0.311 0.000 2.312 814 I HA 0.261 4.432 4.170 0.001 0.000 0.290 814 I C -0.257 176.031 176.117 0.286 0.000 1.008 814 I CA -0.903 60.564 61.300 0.278 0.000 1.226 814 I CB 1.712 39.879 38.000 0.279 0.000 1.371 814 I HN 0.227 nan 8.210 nan 0.000 0.468 815 N N 8.263 127.090 118.700 0.210 0.000 2.707 815 N HA 0.314 5.055 4.740 0.001 0.000 0.235 815 N C -0.692 174.951 175.510 0.220 0.000 1.028 815 N CA -0.343 52.825 53.050 0.197 0.000 0.906 815 N CB 0.543 39.114 38.487 0.140 0.000 1.131 815 N HN 0.590 nan 8.380 nan 0.000 0.509 816 L N 2.722 124.103 121.223 0.262 0.000 3.084 816 L HA 0.208 4.548 4.340 0.001 0.000 0.238 816 L C 1.448 178.464 176.870 0.243 0.000 1.327 816 L CA -0.184 54.841 54.840 0.309 0.000 1.094 816 L CB -0.203 42.047 42.059 0.319 0.000 1.477 816 L HN 0.559 nan 8.230 nan 0.000 0.514 817 T N -5.441 109.211 114.554 0.162 0.000 2.995 817 T HA -0.084 4.267 4.350 0.001 0.000 0.269 817 T C 1.734 176.471 174.700 0.061 0.000 1.091 817 T CA 0.959 63.122 62.100 0.105 0.000 1.128 817 T CB 0.029 68.940 68.868 0.072 0.000 0.891 817 T HN 0.285 nan 8.240 nan 0.000 0.492 818 S N 1.584 117.290 115.700 0.010 0.000 2.522 818 S HA 0.449 4.920 4.470 0.001 0.000 0.227 818 S C 1.227 175.796 174.600 -0.052 0.000 0.986 818 S CA 0.122 58.254 58.200 -0.114 0.000 0.929 818 S CB -0.337 62.638 63.200 -0.376 0.000 0.769 818 S HN 0.847 nan 8.310 nan 0.000 0.529 819 A N 1.827 124.728 122.820 0.135 0.000 2.450 819 A HA 0.327 4.647 4.320 0.001 0.000 0.255 819 A C 0.668 178.325 177.584 0.122 0.000 1.096 819 A CA -0.347 51.825 52.037 0.226 0.000 0.778 819 A CB -0.009 19.173 19.000 0.304 0.000 1.031 819 A HN 0.479 nan 8.150 nan 0.000 0.494 820 N N 0.424 119.187 118.700 0.105 0.000 2.432 820 N HA 0.110 4.851 4.740 0.001 0.000 0.174 820 N C 0.679 176.210 175.510 0.033 0.000 1.037 820 N CA 0.294 53.388 53.050 0.073 0.000 0.892 820 N CB 0.301 38.865 38.487 0.130 0.000 1.049 820 N HN 0.707 nan 8.380 nan 0.000 0.442 821 R N 0.602 121.135 120.500 0.055 0.000 2.771 821 R HA 0.596 4.937 4.340 0.001 0.000 0.274 821 R C -1.959 174.370 176.300 0.049 0.000 0.987 821 R CA -0.517 55.608 56.100 0.041 0.000 0.908 821 R CB 1.954 32.307 30.300 0.088 0.000 1.213 821 R HN -0.218 nan 8.270 nan 0.000 0.468 822 V N 5.052 124.970 119.914 0.008 0.000 2.686 822 V HA 0.481 4.601 4.120 0.001 0.000 0.306 822 V C -0.606 175.443 176.094 -0.074 0.000 1.065 822 V CA -0.636 61.651 62.300 -0.021 0.000 0.894 822 V CB 2.071 33.855 31.823 -0.064 0.000 1.004 822 V HN 0.644 nan 8.190 nan 0.000 0.424 823 I N 4.295 124.863 120.570 -0.003 0.000 2.406 823 I HA 0.449 4.620 4.170 0.001 0.000 0.290 823 I C -0.805 175.337 176.117 0.042 0.000 0.999 823 I CA -0.738 60.569 61.300 0.013 0.000 1.124 823 I CB 1.657 39.724 38.000 0.111 0.000 1.289 823 I HN 0.575 nan 8.210 nan 0.000 0.441 824 H N 6.552 125.612 119.070 -0.016 0.000 2.787 824 H HA 0.127 4.684 4.556 0.001 0.000 0.275 824 H C 0.472 175.823 175.328 0.037 0.000 1.183 824 H CA -0.468 55.533 56.048 -0.079 0.000 1.290 824 H CB 0.656 30.217 29.762 -0.335 0.000 1.438 824 H HN 0.569 nan 8.280 nan 0.000 0.487 825 F N 1.668 121.703 119.950 0.141 0.000 2.171 825 F HA -0.114 4.414 4.527 0.001 0.000 0.300 825 F C 0.495 176.341 175.800 0.077 0.000 1.090 825 F CA 1.035 59.090 58.000 0.091 0.000 1.293 825 F CB 0.578 39.638 39.000 0.099 0.000 1.013 825 F HN 0.355 nan 8.300 nan 0.000 0.486 826 D N 0.396 120.971 120.400 0.292 0.000 2.192 826 D HA 0.148 4.788 4.640 0.001 0.000 0.246 826 D C -0.475 175.823 176.300 -0.005 0.000 1.042 826 D CA -0.637 53.437 54.000 0.124 0.000 0.847 826 D CB 1.387 42.243 40.800 0.093 0.000 1.186 826 D HN -0.146 nan 8.370 nan 0.000 0.461 827 R N 1.842 122.197 120.500 -0.242 0.000 2.561 827 R HA -0.087 4.254 4.340 0.001 0.000 0.347 827 R C -0.855 175.115 176.300 -0.549 0.000 0.916 827 R CA -0.149 55.642 56.100 -0.515 0.000 1.063 827 R CB -0.439 29.259 30.300 -1.004 0.000 0.916 827 R HN 0.300 nan 8.270 nan 0.000 0.410 828 W N 6.807 127.814 121.300 -0.489 0.000 2.546 828 W HA 0.151 4.812 4.660 0.001 0.000 0.323 828 W C -0.245 176.190 176.519 -0.140 0.000 1.272 828 W CA -0.244 56.887 57.345 -0.358 0.000 1.404 828 W CB 0.209 29.389 29.460 -0.466 0.000 1.411 828 W HN 0.483 nan 8.180 nan 0.000 0.480 836 Q N 1.720 121.556 119.800 0.059 0.000 2.096 836 Q HA -0.098 4.242 4.340 0.001 0.000 0.204 836 Q C 2.114 178.119 176.000 0.007 0.000 0.982 836 Q CA 2.546 58.381 55.803 0.054 0.000 0.850 836 Q CB -0.203 28.556 28.738 0.036 0.000 0.901 836 Q HN 0.324 nan 8.270 nan 0.000 0.422 837 A N 0.247 123.045 122.820 -0.036 0.000 1.940 837 A HA -0.184 4.136 4.320 0.001 0.000 0.219 837 A C 2.225 179.727 177.584 -0.135 0.000 1.176 837 A CA 1.971 53.963 52.037 -0.075 0.000 0.631 837 A CB -0.990 17.956 19.000 -0.089 0.000 0.814 837 A HN 0.549 nan 8.150 nan 0.000 0.446 838 T N 0.113 114.565 114.554 -0.170 0.000 2.701 838 T HA -0.119 4.232 4.350 0.001 0.000 0.263 838 T C 1.550 176.080 174.700 -0.283 0.000 1.040 838 T CA 1.548 63.447 62.100 -0.336 0.000 1.147 838 T CB -0.460 68.223 68.868 -0.308 0.000 0.865 838 T HN 0.454 nan 8.240 nan 0.000 0.426 839 D N 0.582 121.004 120.400 0.037 0.000 2.123 839 D HA -0.068 4.572 4.640 0.001 0.000 0.196 839 D C 2.210 178.557 176.300 0.078 0.000 0.992 839 D CA 0.887 54.974 54.000 0.144 0.000 0.833 839 D CB -0.277 40.625 40.800 0.170 0.000 0.954 839 D HN 0.298 nan 8.370 nan 0.000 0.455 840 R N 0.556 121.066 120.500 0.016 0.000 2.070 840 R HA -0.127 4.213 4.340 0.001 0.000 0.233 840 R C 2.098 178.404 176.300 0.010 0.000 1.137 840 R CA 1.297 57.408 56.100 0.018 0.000 0.945 840 R CB -0.442 29.856 30.300 -0.003 0.000 0.845 840 R HN 0.000 nan 8.270 nan 0.000 0.430 841 V N 0.424 120.290 119.914 -0.081 0.000 2.231 841 V HA -0.320 3.800 4.120 0.001 0.000 0.248 841 V C 2.032 178.177 176.094 0.084 0.000 1.054 841 V CA 2.144 64.397 62.300 -0.078 0.000 1.015 841 V CB -0.827 30.842 31.823 -0.257 0.000 0.638 841 V HN 0.458 nan 8.190 nan 0.000 0.444 842 Y N -0.336 120.055 120.300 0.152 0.000 2.651 842 Y HA -0.029 4.521 4.550 0.001 0.000 0.296 842 Y C 1.487 177.495 175.900 0.180 0.000 1.150 842 Y CA 0.057 58.279 58.100 0.204 0.000 1.348 842 Y CB -0.206 38.425 38.460 0.286 0.000 0.983 842 Y HN 0.252 nan 8.280 nan 0.000 0.555 843 R N 0.131 120.785 120.500 0.258 0.000 3.531 843 R HA -0.195 4.146 4.340 0.001 0.000 0.280 843 R C -0.755 175.661 176.300 0.192 0.000 1.130 843 R CA 0.357 56.567 56.100 0.183 0.000 0.757 843 R CB -2.498 27.899 30.300 0.162 0.000 1.218 843 R HN 0.336 nan 8.270 nan 0.000 0.454 844 I N 0.659 121.362 120.570 0.220 0.000 2.496 844 I HA 0.118 4.289 4.170 0.001 0.000 0.285 844 I C 1.646 177.835 176.117 0.121 0.000 1.080 844 I CA 1.224 62.641 61.300 0.194 0.000 1.404 844 I CB 1.184 39.318 38.000 0.224 0.000 1.403 844 I HN 0.496 nan 8.210 nan 0.000 0.539 845 G N 4.441 113.297 108.800 0.094 0.000 2.179 845 G HA2 -0.314 3.647 3.960 0.001 0.000 0.257 845 G HA3 -0.314 3.647 3.960 0.001 0.000 0.257 845 G C 0.694 175.626 174.900 0.054 0.000 1.010 845 G CA 0.812 45.947 45.100 0.058 0.000 0.736 845 G HN 0.757 nan 8.290 nan 0.000 0.513 846 Q N -0.388 119.452 119.800 0.066 0.000 1.984 846 Q HA 0.035 4.375 4.340 0.001 0.000 0.196 846 Q C 2.410 178.435 176.000 0.042 0.000 0.975 846 Q CA 1.993 57.829 55.803 0.055 0.000 0.827 846 Q CB 0.007 28.784 28.738 0.065 0.000 0.894 846 Q HN 0.774 nan 8.270 nan 0.000 0.438 847 T N -1.620 112.959 114.554 0.043 0.000 3.243 847 T HA 0.468 4.819 4.350 0.001 0.000 0.264 847 T C -0.179 174.538 174.700 0.029 0.000 1.000 847 T CA -0.557 61.562 62.100 0.031 0.000 0.901 847 T CB 0.187 69.073 68.868 0.028 0.000 1.083 847 T HN 0.083 nan 8.240 nan 0.000 0.559 848 R N 0.191 120.710 120.500 0.031 0.000 2.687 848 R HA 0.359 4.699 4.340 0.001 0.000 0.265 848 R C -1.240 175.071 176.300 0.018 0.000 1.048 848 R CA -0.917 55.201 56.100 0.030 0.000 0.884 848 R CB 0.937 31.263 30.300 0.043 0.000 1.258 848 R HN 0.060 nan 8.270 nan 0.000 0.469 849 N N 0.316 119.015 118.700 -0.002 0.000 2.399 849 N HA 0.394 5.135 4.740 0.001 0.000 0.250 849 N C -1.098 174.395 175.510 -0.028 0.000 1.272 849 N CA -0.004 53.032 53.050 -0.023 0.000 0.928 849 N CB 1.414 39.868 38.487 -0.054 0.000 1.158 849 N HN 0.196 nan 8.380 nan 0.000 0.463 850 V N 1.391 121.281 119.914 -0.040 0.000 2.891 850 V HA 0.426 4.547 4.120 0.001 0.000 0.304 850 V C -1.058 174.982 176.094 -0.090 0.000 1.171 850 V CA -0.690 61.583 62.300 -0.045 0.000 0.943 850 V CB 1.870 33.689 31.823 -0.007 0.000 1.037 850 V HN 0.446 nan 8.190 nan 0.000 0.427 851 I N 5.813 126.310 120.570 -0.122 0.000 2.359 851 I HA 0.522 4.693 4.170 0.001 0.000 0.294 851 I C -0.538 175.383 176.117 -0.326 0.000 0.987 851 I CA -0.789 60.381 61.300 -0.216 0.000 1.225 851 I CB 1.812 39.689 38.000 -0.205 0.000 1.366 851 I HN 0.244 nan 8.210 nan 0.000 0.466 852 V N 6.122 125.788 119.914 -0.414 0.000 2.448 852 V HA 0.371 4.491 4.120 0.001 0.000 0.295 852 V C -0.368 175.375 176.094 -0.584 0.000 1.025 852 V CA -0.591 61.436 62.300 -0.456 0.000 0.859 852 V CB 1.565 33.186 31.823 -0.336 0.000 0.988 852 V HN 0.573 nan 8.190 nan 0.000 0.431 853 H N 4.105 123.032 119.070 -0.239 0.000 2.466 853 H HA 0.512 5.068 4.556 0.001 0.000 0.338 853 H C -0.679 174.522 175.328 -0.211 0.000 1.091 853 H CA -0.714 55.224 56.048 -0.183 0.000 1.207 853 H CB 1.898 31.585 29.762 -0.125 0.000 1.466 853 H HN 0.507 nan 8.280 nan 0.000 0.493 854 K N 3.602 123.983 120.400 -0.032 0.000 2.339 854 K HA 0.368 4.689 4.320 0.001 0.000 0.264 854 K C -0.216 176.321 176.600 -0.105 0.000 0.986 854 K CA -0.496 55.770 56.287 -0.035 0.000 0.866 854 K CB 1.878 34.372 32.500 -0.010 0.000 1.103 854 K HN 0.305 nan 8.250 nan 0.000 0.441 855 L N 5.154 126.305 121.223 -0.121 0.000 2.319 855 L HA 0.393 4.733 4.340 0.001 0.000 0.280 855 L C -0.080 176.658 176.870 -0.220 0.000 1.099 855 L CA -0.296 54.419 54.840 -0.207 0.000 0.828 855 L CB 0.230 42.115 42.059 -0.291 0.000 1.150 855 L HN 0.514 nan 8.230 nan 0.000 0.442 856 I N 2.100 122.500 120.570 -0.283 0.000 2.509 856 I HA 0.243 4.413 4.170 0.001 0.000 0.293 856 I C -0.175 175.877 176.117 -0.109 0.000 1.020 856 I CA -0.287 60.877 61.300 -0.226 0.000 1.088 856 I CB 2.274 40.020 38.000 -0.422 0.000 1.267 856 I HN 0.512 nan 8.210 nan 0.000 0.430 857 S N 4.861 120.542 115.700 -0.032 0.000 2.448 857 S HA 0.323 4.794 4.470 0.001 0.000 0.320 857 S C -0.110 174.509 174.600 0.032 0.000 1.071 857 S CA -0.676 57.517 58.200 -0.011 0.000 1.113 857 S CB 1.061 64.239 63.200 -0.036 0.000 0.972 857 S HN 0.311 nan 8.310 nan 0.000 0.465 858 V N 2.656 122.619 119.914 0.082 0.000 2.644 858 V HA 0.258 4.378 4.120 0.001 0.000 0.305 858 V C 1.302 177.388 176.094 -0.014 0.000 1.053 858 V CA 0.717 63.066 62.300 0.081 0.000 1.186 858 V CB -0.607 31.255 31.823 0.065 0.000 0.895 858 V HN 1.233 nan 8.190 nan 0.000 0.490 859 G N 3.221 112.017 108.800 -0.006 0.000 2.385 859 G HA2 -0.138 3.823 3.960 0.001 0.000 0.294 859 G HA3 -0.138 3.823 3.960 0.001 0.000 0.294 859 G C -0.048 174.771 174.900 -0.136 0.000 1.070 859 G CA 0.187 45.253 45.100 -0.057 0.000 1.172 859 G HN 1.052 nan 8.290 nan 0.000 0.516 860 T N -0.236 114.285 114.554 -0.054 0.000 2.802 860 T HA 0.439 4.789 4.350 0.001 0.000 0.311 860 T C 1.560 176.335 174.700 0.125 0.000 1.405 860 T CA -0.255 61.812 62.100 -0.054 0.000 1.016 860 T CB 1.211 70.026 68.868 -0.089 0.000 1.352 860 T HN 1.102 nan 8.240 nan 0.000 0.498 861 L N 0.202 121.574 121.223 0.248 0.000 2.187 861 L HA 0.030 4.370 4.340 0.001 0.000 0.213 861 L C 1.940 178.991 176.870 0.302 0.000 1.100 861 L CA 1.532 56.518 54.840 0.244 0.000 0.765 861 L CB -0.543 41.677 42.059 0.268 0.000 0.904 861 L HN 0.650 nan 8.230 nan 0.000 0.437 862 E N 0.342 120.718 120.200 0.293 0.000 2.118 862 E HA -0.269 4.081 4.350 0.001 0.000 0.195 862 E C 2.051 178.797 176.600 0.244 0.000 0.992 862 E CA 1.747 58.317 56.400 0.283 0.000 0.804 862 E CB 0.026 29.804 29.700 0.130 0.000 0.741 862 E HN 0.738 nan 8.360 nan 0.000 0.458 863 E N 0.658 120.969 120.200 0.183 0.000 2.057 863 E HA -0.126 4.225 4.350 0.001 0.000 0.190 863 E C 1.795 178.496 176.600 0.168 0.000 0.969 863 E CA 0.582 57.088 56.400 0.177 0.000 0.812 863 E CB 0.240 30.034 29.700 0.157 0.000 0.777 863 E HN -0.082 nan 8.360 nan 0.000 0.455 864 K N 0.759 121.241 120.400 0.137 0.000 2.063 864 K HA -0.108 4.213 4.320 0.001 0.000 0.208 864 K C 1.964 178.621 176.600 0.096 0.000 1.048 864 K CA 1.338 57.685 56.287 0.101 0.000 0.928 864 K CB -0.239 32.305 32.500 0.074 0.000 0.713 864 K HN 0.229 nan 8.250 nan 0.000 0.442 865 I N 0.812 121.452 120.570 0.117 0.000 2.361 865 I HA -0.255 3.915 4.170 0.001 0.000 0.251 865 I C 1.900 178.101 176.117 0.141 0.000 1.133 865 I CA 1.311 62.648 61.300 0.062 0.000 1.413 865 I CB -0.305 37.639 38.000 -0.093 0.000 1.073 865 I HN 0.225 nan 8.210 nan 0.000 0.424 866 D N 0.621 121.164 120.400 0.238 0.000 2.218 866 D HA -0.256 4.384 4.640 0.001 0.000 0.204 866 D C 2.146 178.535 176.300 0.149 0.000 0.976 866 D CA 1.282 55.422 54.000 0.234 0.000 0.853 866 D CB 0.064 41.000 40.800 0.228 0.000 0.939 866 D HN 0.489 nan 8.370 nan 0.000 0.481 867 Q N -0.229 119.644 119.800 0.122 0.000 2.013 867 Q HA -0.109 4.231 4.340 0.001 0.000 0.195 867 Q C 2.264 178.318 176.000 0.090 0.000 0.974 867 Q CA 0.628 56.492 55.803 0.102 0.000 0.826 867 Q CB -0.666 28.125 28.738 0.088 0.000 0.895 867 Q HN 0.338 nan 8.270 nan 0.000 0.448 868 L N 1.198 122.447 121.223 0.043 0.000 2.189 868 L HA -0.157 4.183 4.340 0.001 0.000 0.214 868 L C 2.143 179.011 176.870 -0.003 0.000 1.097 868 L CA 1.439 56.276 54.840 -0.006 0.000 0.764 868 L CB -0.346 41.683 42.059 -0.049 0.000 0.900 868 L HN 0.338 nan 8.230 nan 0.000 0.436 869 L N -0.981 120.199 121.223 -0.073 0.000 2.023 869 L HA -0.073 4.268 4.340 0.001 0.000 0.205 869 L C 2.489 179.346 176.870 -0.023 0.000 1.073 869 L CA 1.057 55.764 54.840 -0.221 0.000 0.745 869 L CB -0.931 40.976 42.059 -0.253 0.000 0.900 869 L HN 0.300 nan 8.230 nan 0.000 0.435 870 A N -0.687 122.165 122.820 0.054 0.000 2.248 870 A HA -0.184 4.137 4.320 0.001 0.000 0.210 870 A C 1.983 179.620 177.584 0.088 0.000 1.174 870 A CA 0.439 52.518 52.037 0.071 0.000 0.750 870 A CB -0.769 18.276 19.000 0.075 0.000 0.780 870 A HN 0.396 nan 8.150 nan 0.000 0.478 871 F N 0.039 119.973 119.950 -0.028 0.000 2.065 871 F HA -0.129 4.398 4.527 0.001 0.000 0.298 871 F C 1.900 177.694 175.800 -0.010 0.000 1.112 871 F CA 2.472 60.461 58.000 -0.019 0.000 1.212 871 F CB 0.049 39.031 39.000 -0.029 0.000 0.975 871 F HN 0.261 nan 8.300 nan 0.000 0.476 872 K N -2.588 117.788 120.400 -0.039 0.000 3.095 872 K HA 0.152 4.472 4.320 0.001 0.000 0.220 872 K C 1.147 177.755 176.600 0.014 0.000 1.926 872 K CA 0.310 56.525 56.287 -0.120 0.000 1.367 872 K CB 0.194 32.593 32.500 -0.168 0.000 2.243 872 K HN -0.106 nan 8.250 nan 0.000 0.554 873 R N 0.422 120.978 120.500 0.093 0.000 3.977 873 R HA -0.173 4.168 4.340 0.001 0.000 0.428 873 R C 0.368 176.726 176.300 0.097 0.000 1.079 873 R CA 1.319 57.518 56.100 0.165 0.000 1.269 873 R CB -2.209 28.197 30.300 0.176 0.000 1.856 873 R HN 0.397 nan 8.270 nan 0.000 0.551 874 S N -0.623 115.103 115.700 0.042 0.000 2.607 874 S HA 0.066 4.536 4.470 0.001 0.000 0.224 874 S C 1.430 176.033 174.600 0.007 0.000 0.969 874 S CA 0.728 58.934 58.200 0.009 0.000 0.927 874 S CB 0.261 63.454 63.200 -0.012 0.000 0.772 874 S HN 0.477 nan 8.310 nan 0.000 0.533 875 L N -1.613 119.631 121.223 0.034 0.000 2.948 875 L HA 0.458 4.798 4.340 0.001 0.000 0.259 875 L C 1.514 178.386 176.870 0.003 0.000 1.136 875 L CA 0.137 54.988 54.840 0.018 0.000 0.959 875 L CB 0.105 42.192 42.059 0.047 0.000 1.370 875 L HN 0.357 nan 8.230 nan 0.000 0.552 876 F N 0.350 120.223 119.950 -0.129 0.000 2.559 876 F HA 0.132 4.659 4.527 0.001 0.000 0.286 876 F C 2.301 177.975 175.800 -0.211 0.000 1.108 876 F CA 0.768 58.628 58.000 -0.233 0.000 1.436 876 F CB 0.259 39.069 39.000 -0.316 0.000 1.130 876 F HN -0.242 nan 8.300 nan 0.000 0.584 877 K N 0.770 121.044 120.400 -0.211 0.000 1.973 877 K HA -0.200 4.121 4.320 0.001 0.000 0.210 877 K C 1.846 178.277 176.600 -0.282 0.000 1.045 877 K CA 1.970 58.110 56.287 -0.245 0.000 0.937 877 K CB -0.887 31.585 32.500 -0.048 0.000 0.721 877 K HN 0.294 nan 8.250 nan 0.000 0.438 878 D N 0.575 120.866 120.400 -0.182 0.000 2.097 878 D HA -0.088 4.552 4.640 0.001 0.000 0.197 878 D C 2.022 178.208 176.300 -0.190 0.000 0.984 878 D CA 0.852 54.761 54.000 -0.153 0.000 0.826 878 D CB 0.045 40.788 40.800 -0.096 0.000 0.973 878 D HN 0.181 nan 8.370 nan 0.000 0.460 879 I N 1.092 121.536 120.570 -0.209 0.000 3.398 879 I HA -0.102 4.068 4.170 0.001 0.000 0.187 879 I C 1.397 177.338 176.117 -0.292 0.000 1.033 879 I CA -0.174 61.005 61.300 -0.201 0.000 1.405 879 I CB -0.552 37.360 38.000 -0.146 0.000 1.264 879 I HN -0.119 nan 8.210 nan 0.000 0.421 880 I N 1.610 121.963 120.570 -0.362 0.000 3.207 880 I HA -0.214 3.956 4.170 0.001 0.000 0.318 880 I C 1.169 176.979 176.117 -0.513 0.000 1.200 880 I CA 0.303 61.350 61.300 -0.422 0.000 1.451 880 I CB 0.065 37.740 38.000 -0.542 0.000 1.299 880 I HN 0.599 nan 8.210 nan 0.000 0.564 881 S N 3.792 119.340 115.700 -0.253 0.000 2.397 881 S HA 0.214 4.684 4.470 0.001 0.000 0.261 881 S C 0.431 175.024 174.600 -0.013 0.000 1.151 881 S CA -0.442 57.670 58.200 -0.147 0.000 1.022 881 S CB 0.714 63.896 63.200 -0.030 0.000 1.187 881 S HN 0.681 nan 8.310 nan 0.000 0.473 882 S N -0.141 115.629 115.700 0.116 0.000 2.560 882 S HA 0.295 4.765 4.470 0.001 0.000 0.276 882 S C 1.583 176.525 174.600 0.569 0.000 1.350 882 S CA 0.077 58.428 58.200 0.252 0.000 1.024 882 S CB -0.269 63.015 63.200 0.141 0.000 0.864 882 S HN 0.913 nan 8.310 nan 0.000 0.536 883 G N 2.819 112.019 108.800 0.667 0.000 2.586 883 G HA2 -0.276 3.684 3.960 0.001 0.000 0.218 883 G HA3 -0.276 3.684 3.960 0.001 0.000 0.218 883 G C 0.975 175.821 174.900 -0.090 0.000 1.216 883 G CA 1.373 46.854 45.100 0.635 0.000 0.786 883 G HN 0.801 nan 8.290 nan 0.000 0.583 884 D N 0.665 121.152 120.400 0.145 0.000 2.177 884 D HA -0.135 4.505 4.640 0.001 0.000 0.189 884 D C 2.858 179.046 176.300 -0.186 0.000 1.002 884 D CA 1.446 55.437 54.000 -0.015 0.000 0.845 884 D CB -0.880 39.986 40.800 0.110 0.000 0.960 884 D HN 0.284 nan 8.370 nan 0.000 0.447 885 S N 1.007 116.696 115.700 -0.018 0.000 2.504 885 S HA -0.242 4.228 4.470 0.001 0.000 0.276 885 S C 1.922 176.496 174.600 -0.044 0.000 1.065 885 S CA 2.006 60.224 58.200 0.030 0.000 1.500 885 S CB -1.178 62.123 63.200 0.168 0.000 1.295 885 S HN 0.567 nan 8.310 nan 0.000 0.432 886 W N 2.211 123.515 121.300 0.008 0.000 2.303 886 W HA -0.181 4.480 4.660 0.001 0.000 0.287 886 W C 1.601 178.099 176.519 -0.035 0.000 1.213 886 W CA 0.957 58.305 57.345 0.005 0.000 1.203 886 W CB -1.582 27.917 29.460 0.065 0.000 1.136 886 W HN 0.333 nan 8.180 nan 0.000 0.547 887 I N 2.243 122.242 120.570 -0.952 0.000 2.623 887 I HA -0.304 3.866 4.170 0.001 0.000 0.261 887 I C 2.495 178.415 176.117 -0.330 0.000 1.204 887 I CA 2.186 62.986 61.300 -0.834 0.000 1.444 887 I CB -0.842 36.620 38.000 -0.896 0.000 1.094 887 I HN 0.075 nan 8.210 nan 0.000 0.451 888 T N -2.795 111.638 114.554 -0.202 0.000 3.054 888 T HA 0.027 4.377 4.350 0.001 0.000 0.259 888 T C 1.524 176.194 174.700 -0.050 0.000 1.092 888 T CA 0.254 62.291 62.100 -0.106 0.000 1.121 888 T CB -0.072 68.752 68.868 -0.074 0.000 0.912 888 T HN 0.176 nan 8.240 nan 0.000 0.489 889 E N 1.638 121.840 120.200 0.002 0.000 2.478 889 E HA 0.168 4.519 4.350 0.001 0.000 0.198 889 E C 0.620 177.233 176.600 0.021 0.000 1.046 889 E CA -0.039 56.381 56.400 0.034 0.000 0.870 889 E CB -0.618 29.139 29.700 0.095 0.000 0.818 889 E HN 0.616 nan 8.360 nan 0.000 0.527 890 L N 1.652 122.874 121.223 -0.001 0.000 2.499 890 L HA 0.027 4.368 4.340 0.001 0.000 0.273 890 L C 0.370 177.221 176.870 -0.032 0.000 1.195 890 L CA 0.084 54.919 54.840 -0.010 0.000 0.882 890 L CB 0.168 42.204 42.059 -0.038 0.000 1.133 890 L HN -0.177 nan 8.230 nan 0.000 0.483 891 S N 1.651 117.338 115.700 -0.022 0.000 2.465 891 S HA 0.088 4.559 4.470 0.001 0.000 0.279 891 S C 1.299 175.875 174.600 -0.040 0.000 1.201 891 S CA -0.566 57.614 58.200 -0.034 0.000 1.053 891 S CB 1.432 64.621 63.200 -0.019 0.000 0.953 891 S HN 0.789 nan 8.310 nan 0.000 0.488 892 T N 2.923 117.430 114.554 -0.078 0.000 2.802 892 T HA -0.379 3.971 4.350 0.001 0.000 0.240 892 T C 1.666 176.374 174.700 0.014 0.000 1.158 892 T CA 2.386 64.433 62.100 -0.088 0.000 1.120 892 T CB -0.679 68.126 68.868 -0.105 0.000 0.809 892 T HN 0.832 nan 8.240 nan 0.000 0.494 893 E N 0.463 120.672 120.200 0.014 0.000 2.086 893 E HA -0.249 4.102 4.350 0.001 0.000 0.200 893 E C 2.371 178.996 176.600 0.041 0.000 1.012 893 E CA 1.765 58.184 56.400 0.033 0.000 0.812 893 E CB -0.032 29.676 29.700 0.013 0.000 0.743 893 E HN 0.785 nan 8.360 nan 0.000 0.453 894 E N 0.320 120.534 120.200 0.023 0.000 2.276 894 E HA -0.113 4.237 4.350 0.001 0.000 0.193 894 E C 2.264 178.890 176.600 0.044 0.000 0.983 894 E CA 0.152 56.563 56.400 0.019 0.000 0.861 894 E CB -0.446 29.248 29.700 -0.011 0.000 0.817 894 E HN 0.292 nan 8.360 nan 0.000 0.485 895 L N 2.155 123.407 121.223 0.048 0.000 2.042 895 L HA -0.106 4.235 4.340 0.001 0.000 0.210 895 L C 2.773 179.778 176.870 0.225 0.000 1.076 895 L CA 1.941 56.829 54.840 0.079 0.000 0.749 895 L CB -0.507 41.556 42.059 0.006 0.000 0.893 895 L HN 0.073 nan 8.230 nan 0.000 0.432 896 R N -1.216 119.467 120.500 0.305 0.000 2.328 896 R HA -0.093 4.248 4.340 0.001 0.000 0.207 896 R C 1.628 177.997 176.300 0.116 0.000 1.056 896 R CA 0.642 56.934 56.100 0.320 0.000 1.016 896 R CB 0.063 30.586 30.300 0.371 0.000 0.872 896 R HN 0.263 nan 8.270 nan 0.000 0.471 897 K N -0.505 119.950 120.400 0.092 0.000 2.172 897 K HA 0.056 4.376 4.320 0.001 0.000 0.203 897 K C 1.955 178.585 176.600 0.050 0.000 1.040 897 K CA 0.767 57.082 56.287 0.048 0.000 0.974 897 K CB -0.391 32.123 32.500 0.024 0.000 0.857 897 K HN -0.015 nan 8.250 nan 0.000 0.464 898 V N 3.465 123.409 119.914 0.049 0.000 2.216 898 V HA -0.246 3.875 4.120 0.001 0.000 0.243 898 V C 2.568 178.717 176.094 0.091 0.000 1.044 898 V CA 2.218 64.546 62.300 0.046 0.000 0.995 898 V CB -0.682 31.143 31.823 0.003 0.000 0.633 898 V HN 0.348 nan 8.190 nan 0.000 0.446 899 I N -0.760 119.878 120.570 0.114 0.000 2.353 899 I HA -0.044 4.126 4.170 0.001 0.000 0.248 899 I C 1.423 177.676 176.117 0.228 0.000 1.119 899 I CA 0.943 62.349 61.300 0.177 0.000 1.417 899 I CB -0.534 37.551 38.000 0.141 0.000 1.078 899 I HN 0.383 nan 8.210 nan 0.000 0.421 900 E N 2.649 122.923 120.200 0.124 0.000 2.765 900 E HA -0.122 4.229 4.350 0.001 0.000 0.256 900 E C -0.101 176.591 176.600 0.152 0.000 0.935 900 E CA -0.235 56.209 56.400 0.074 0.000 0.954 900 E CB 0.481 30.169 29.700 -0.020 0.000 0.908 900 E HN 0.378 nan 8.360 nan 0.000 0.500 901 L N 4.154 125.520 121.223 0.239 0.000 2.506 901 L HA -0.000 4.340 4.340 0.001 0.000 0.281 901 L C -0.580 176.283 176.870 -0.011 0.000 1.228 901 L CA 0.945 55.809 54.840 0.041 0.000 0.850 901 L CB 0.996 43.066 42.059 0.018 0.000 1.110 901 L HN 0.435 nan 8.230 nan 0.000 0.496 902 S N 3.211 118.876 115.700 -0.058 0.000 2.620 902 S HA 0.567 5.037 4.470 0.001 0.000 0.244 902 S C -1.176 173.395 174.600 -0.048 0.000 1.192 902 S CA -0.575 57.603 58.200 -0.036 0.000 1.148 902 S CB 1.118 64.309 63.200 -0.015 0.000 1.106 902 S HN 0.378 nan 8.310 nan 0.000 0.474 903 V N 2.459 122.344 119.914 -0.049 0.000 2.525 903 V HA 0.721 4.841 4.120 0.001 0.000 0.299 903 V C 0.789 176.853 176.094 -0.050 0.000 1.034 903 V CA -0.593 61.676 62.300 -0.052 0.000 0.863 903 V CB 1.762 33.549 31.823 -0.059 0.000 0.999 903 V HN 0.804 nan 8.190 nan 0.000 0.423 904 G N 0.000 108.768 108.800 -0.053 0.000 5.446 904 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 904 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 904 G CA 0.000 45.063 45.100 -0.062 0.000 0.502 904 G HN 0.000 nan 8.290 nan 0.000 0.925