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 2r4f_1_A DATA FIRST_RESID 441 DATA SEQUENCE EPRPNEECLQ ILGNAEKGAK FLSDAEIIQL VNAKHIPAYK LETLIETHER DATA SEQUENCE GVSIRRQLLS KKLSEPSSLQ YLPYRDYNYS LVMGACCENV IGYMPIPVGV DATA SEQUENCE AGPLCLDEKE FQVPMATTEG CLVASTNRGC RAIGLGGGAS SRVLADGMTR DATA SEQUENCE GPVVRLPRAC DSAEVKAWLE TSEGFAVIKE AFDSTSRFAR LQKLHTSIAG DATA SEQUENCE RNLYIRFQSR SGDAMGMNMI SKGTEKALSK LHEYFPEMQI LAVSGNYCTD DATA SEQUENCE KKPAAINWIE GRGKSVVCEA VIPAKVVREV LKTTTEAMIE VNINKNLVGS DATA SEQUENCE AMAGSIGGYN AHAANIVTAI YIACGQDAAQ NVGSSNCITL MEASGPTNED DATA SEQUENCE LYISCTMPSI EIGTVGGGTN LLPQQACLQM LGVQGACKDN PGENARQLAR DATA SEQUENCE IVCGTVMAGE LSLMAALAAG 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 441 E HA 0.000 nan 4.350 nan 0.000 0.291 441 E C 0.000 176.605 176.600 0.008 0.000 1.382 441 E CA 0.000 56.404 56.400 0.007 0.000 0.976 441 E CB 0.000 29.704 29.700 0.006 0.000 0.812 442 P HA 0.333 nan 4.420 nan 0.000 0.274 442 P C -0.939 176.364 177.300 0.005 0.000 1.231 442 P CA -0.340 62.764 63.100 0.007 0.000 0.790 442 P CB 0.839 32.542 31.700 0.006 0.000 0.951 443 R N 1.568 122.070 120.500 0.004 0.000 2.664 443 R HA 0.506 4.847 4.340 0.001 0.000 0.286 443 R C -2.252 174.046 176.300 -0.004 0.000 0.967 443 R CA -1.875 54.225 56.100 -0.000 0.000 0.933 443 R CB 0.864 31.164 30.300 0.000 0.000 1.146 443 R HN 0.370 nan 8.270 nan 0.000 0.468 444 P HA 0.035 nan 4.420 nan 0.000 0.268 444 P C -0.338 176.945 177.300 -0.027 0.000 1.208 444 P CA 0.103 63.195 63.100 -0.012 0.000 0.777 444 P CB 0.555 32.247 31.700 -0.013 0.000 0.875 445 N N 0.500 119.180 118.700 -0.033 0.000 2.223 445 N HA -0.165 4.575 4.740 0.001 0.000 0.185 445 N C 1.298 176.724 175.510 -0.140 0.000 1.016 445 N CA 0.926 53.927 53.050 -0.081 0.000 0.863 445 N CB -0.125 38.325 38.487 -0.061 0.000 0.983 445 N HN 0.574 nan 8.380 nan 0.000 0.429 446 E N 0.533 120.674 120.200 -0.098 0.000 2.150 446 E HA -0.187 4.164 4.350 0.001 0.000 0.193 446 E C 1.606 178.161 176.600 -0.076 0.000 0.985 446 E CA 0.669 57.012 56.400 -0.094 0.000 0.814 446 E CB 0.044 29.712 29.700 -0.054 0.000 0.752 446 E HN 0.437 nan 8.360 nan 0.000 0.466 447 E N 0.097 120.262 120.200 -0.058 0.000 2.112 447 E HA -0.130 4.221 4.350 0.001 0.000 0.190 447 E C 1.901 178.472 176.600 -0.049 0.000 0.979 447 E CA 0.711 57.083 56.400 -0.046 0.000 0.814 447 E CB 0.099 29.780 29.700 -0.032 0.000 0.762 447 E HN 0.232 nan 8.360 nan 0.000 0.460 448 C N 0.501 119.769 119.300 -0.053 0.000 2.432 448 C HA -0.018 4.443 4.460 0.001 0.000 0.280 448 C C 2.480 177.437 174.990 -0.055 0.000 1.353 448 C CA 0.244 59.236 59.018 -0.043 0.000 1.766 448 C CB -0.846 26.871 27.740 -0.038 0.000 1.924 448 C HN 0.444 nan 8.230 nan 0.000 0.509 449 L N 0.178 121.348 121.223 -0.088 0.000 2.156 449 L HA -0.166 4.174 4.340 0.001 0.000 0.208 449 L C 2.728 179.563 176.870 -0.057 0.000 1.095 449 L CA 1.364 56.151 54.840 -0.088 0.000 0.770 449 L CB -0.582 41.394 42.059 -0.138 0.000 0.914 449 L HN 0.419 nan 8.230 nan 0.000 0.439 450 Q N -0.194 119.573 119.800 -0.055 0.000 2.172 450 Q HA -0.124 4.216 4.340 0.001 0.000 0.200 450 Q C 2.285 178.257 176.000 -0.047 0.000 0.964 450 Q CA 1.218 56.993 55.803 -0.047 0.000 0.855 450 Q CB 0.026 28.735 28.738 -0.048 0.000 0.918 450 Q HN 0.542 nan 8.270 nan 0.000 0.444 451 I N 0.047 120.591 120.570 -0.044 0.000 2.286 451 I HA -0.239 3.932 4.170 0.001 0.000 0.245 451 I C 2.147 178.256 176.117 -0.014 0.000 1.104 451 I CA 0.616 61.890 61.300 -0.043 0.000 1.397 451 I CB -0.101 37.885 38.000 -0.024 0.000 1.072 451 I HN 0.169 nan 8.210 nan 0.000 0.417 452 L N 0.963 122.182 121.223 -0.006 0.000 2.093 452 L HA -0.017 4.324 4.340 0.001 0.000 0.208 452 L C 2.301 179.169 176.870 -0.004 0.000 1.085 452 L CA 1.817 56.660 54.840 0.004 0.000 0.755 452 L CB -0.813 41.245 42.059 -0.003 0.000 0.904 452 L HN 0.184 nan 8.230 nan 0.000 0.435 453 G N -1.010 107.781 108.800 -0.016 0.000 2.443 453 G HA2 -0.241 3.719 3.960 0.001 0.000 0.219 453 G HA3 -0.241 3.719 3.960 0.001 0.000 0.219 453 G C 0.712 175.603 174.900 -0.016 0.000 1.131 453 G CA 0.154 45.245 45.100 -0.016 0.000 0.775 453 G HN 0.413 nan 8.290 nan 0.000 0.547 454 N N 0.388 119.075 118.700 -0.022 0.000 2.513 454 N HA 0.385 5.125 4.740 0.001 0.000 0.268 454 N C 1.296 176.799 175.510 -0.011 0.000 1.180 454 N CA 0.394 53.428 53.050 -0.027 0.000 0.948 454 N CB 1.449 39.904 38.487 -0.054 0.000 1.083 454 N HN -0.002 nan 8.380 nan 0.000 0.455 455 A N 3.374 126.189 122.820 -0.009 0.000 1.968 455 A HA -0.106 4.214 4.320 0.001 0.000 0.217 455 A C 1.189 178.782 177.584 0.016 0.000 1.169 455 A CA 1.309 53.349 52.037 0.004 0.000 0.638 455 A CB -0.450 18.551 19.000 0.001 0.000 0.812 455 A HN 0.871 nan 8.150 nan 0.000 0.446 456 E N -1.014 119.189 120.200 0.006 0.000 2.394 456 E HA 0.208 4.559 4.350 0.001 0.000 0.191 456 E C 0.721 177.350 176.600 0.048 0.000 1.044 456 E CA -0.038 56.376 56.400 0.024 0.000 0.939 456 E CB 0.219 29.920 29.700 0.001 0.000 1.089 456 E HN 0.529 nan 8.360 nan 0.000 0.456 457 K N 0.142 120.577 120.400 0.058 0.000 2.644 457 K HA 0.323 4.644 4.320 0.001 0.000 0.231 457 K C 0.828 177.597 176.600 0.281 0.000 1.493 457 K CA 0.244 56.614 56.287 0.138 0.000 0.836 457 K CB 0.551 32.975 32.500 -0.127 0.000 1.853 457 K HN 0.168 nan 8.250 nan 0.000 0.390 458 G N 0.814 109.699 108.800 0.141 0.000 2.593 458 G HA2 -0.278 3.682 3.960 0.001 0.000 0.237 458 G HA3 -0.278 3.682 3.960 0.001 0.000 0.237 458 G C 0.490 175.461 174.900 0.118 0.000 1.312 458 G CA 0.012 45.174 45.100 0.104 0.000 0.896 458 G HN 0.443 nan 8.290 nan 0.000 0.574 459 A N -0.370 122.488 122.820 0.064 0.000 2.206 459 A HA 0.252 4.572 4.320 0.001 0.000 0.211 459 A C 2.102 179.704 177.584 0.030 0.000 1.158 459 A CA 2.079 54.142 52.037 0.043 0.000 0.761 459 A CB -0.287 18.720 19.000 0.010 0.000 0.801 459 A HN 0.785 nan 8.150 nan 0.000 0.473 460 K N -0.864 119.544 120.400 0.013 0.000 2.097 460 K HA -0.119 4.201 4.320 0.001 0.000 0.206 460 K C 0.911 177.387 176.600 -0.206 0.000 1.049 460 K CA 1.505 57.718 56.287 -0.125 0.000 0.933 460 K CB -0.228 32.141 32.500 -0.218 0.000 0.717 460 K HN 0.491 nan 8.250 nan 0.000 0.442 461 F N 0.838 120.781 119.950 -0.012 0.000 2.743 461 F HA 0.139 4.666 4.527 0.001 0.000 0.297 461 F C 0.564 176.358 175.800 -0.011 0.000 1.131 461 F CA -0.001 57.992 58.000 -0.011 0.000 1.426 461 F CB 0.226 39.218 39.000 -0.012 0.000 1.116 461 F HN -0.146 nan 8.300 nan 0.000 0.583 462 L N 0.213 121.513 121.223 0.129 0.000 2.334 462 L HA 0.307 4.648 4.340 0.001 0.000 0.277 462 L C 0.803 177.691 176.870 0.031 0.000 1.075 462 L CA -0.825 54.056 54.840 0.070 0.000 0.804 462 L CB 1.116 43.206 42.059 0.050 0.000 1.174 462 L HN -0.010 nan 8.230 nan 0.000 0.438 463 S N 0.007 115.721 115.700 0.025 0.000 2.634 463 S HA 0.134 4.604 4.470 0.001 0.000 0.261 463 S C 0.495 175.099 174.600 0.006 0.000 1.271 463 S CA -0.677 57.530 58.200 0.011 0.000 0.985 463 S CB 1.212 64.418 63.200 0.012 0.000 0.968 463 S HN 0.599 nan 8.310 nan 0.000 0.568 464 D N 1.250 121.651 120.400 0.002 0.000 2.097 464 D HA -0.021 4.619 4.640 0.001 0.000 0.195 464 D C 2.219 178.519 176.300 -0.001 0.000 0.989 464 D CA 1.922 55.921 54.000 -0.001 0.000 0.827 464 D CB -0.910 39.888 40.800 -0.003 0.000 0.966 464 D HN 0.702 nan 8.370 nan 0.000 0.456 465 A N 0.702 123.523 122.820 0.001 0.000 1.972 465 A HA -0.201 4.119 4.320 0.001 0.000 0.219 465 A C 2.025 179.612 177.584 0.006 0.000 1.169 465 A CA 1.473 53.511 52.037 0.002 0.000 0.635 465 A CB -0.484 18.518 19.000 0.003 0.000 0.810 465 A HN 0.222 nan 8.150 nan 0.000 0.446 466 E N -0.516 119.689 120.200 0.008 0.000 2.152 466 E HA -0.073 4.277 4.350 0.001 0.000 0.192 466 E C 1.777 178.383 176.600 0.010 0.000 0.983 466 E CA 0.960 57.366 56.400 0.009 0.000 0.818 466 E CB -0.189 29.517 29.700 0.011 0.000 0.758 466 E HN 0.723 nan 8.360 nan 0.000 0.467 467 I N 0.753 121.328 120.570 0.009 0.000 2.286 467 I HA -0.219 3.951 4.170 0.001 0.000 0.245 467 I C 2.226 178.349 176.117 0.011 0.000 1.104 467 I CA 0.804 62.109 61.300 0.008 0.000 1.397 467 I CB -0.131 37.870 38.000 0.002 0.000 1.072 467 I HN 0.081 nan 8.210 nan 0.000 0.417 468 I N 0.442 121.016 120.570 0.006 0.000 2.208 468 I HA -0.349 3.822 4.170 0.001 0.000 0.245 468 I C 2.688 178.815 176.117 0.017 0.000 1.097 468 I CA 1.538 62.842 61.300 0.006 0.000 1.363 468 I CB -0.382 37.617 38.000 -0.001 0.000 1.051 468 I HN 0.344 nan 8.210 nan 0.000 0.413 469 Q N 0.796 120.610 119.800 0.022 0.000 2.119 469 Q HA -0.178 4.162 4.340 0.001 0.000 0.201 469 Q C 2.357 178.396 176.000 0.066 0.000 0.972 469 Q CA 1.310 57.134 55.803 0.035 0.000 0.847 469 Q CB 0.066 28.820 28.738 0.028 0.000 0.903 469 Q HN 0.529 nan 8.270 nan 0.000 0.433 470 L N -0.570 120.693 121.223 0.066 0.000 2.156 470 L HA -0.138 4.202 4.340 0.001 0.000 0.208 470 L C 2.224 179.167 176.870 0.122 0.000 1.095 470 L CA 0.469 55.381 54.840 0.119 0.000 0.770 470 L CB -0.109 41.987 42.059 0.062 0.000 0.914 470 L HN 0.113 nan 8.230 nan 0.000 0.439 471 V N -0.317 119.633 119.914 0.060 0.000 2.379 471 V HA -0.197 3.923 4.120 0.001 0.000 0.245 471 V C 2.096 178.204 176.094 0.024 0.000 1.044 471 V CA 1.499 63.821 62.300 0.036 0.000 1.036 471 V CB -0.610 31.224 31.823 0.018 0.000 0.664 471 V HN 0.462 nan 8.190 nan 0.000 0.453 472 N N 0.909 119.624 118.700 0.025 0.000 2.289 472 N HA -0.077 4.663 4.740 0.001 0.000 0.184 472 N C 1.566 177.078 175.510 0.002 0.000 1.016 472 N CA 1.519 54.576 53.050 0.013 0.000 0.872 472 N CB -0.309 38.186 38.487 0.014 0.000 0.973 472 N HN 0.509 nan 8.380 nan 0.000 0.433 473 A N 0.347 123.179 122.820 0.020 0.000 2.278 473 A HA 0.097 4.417 4.320 0.001 0.000 0.212 473 A C 0.445 177.891 177.584 -0.230 0.000 1.213 473 A CA 0.030 52.047 52.037 -0.033 0.000 0.840 473 A CB 0.040 19.114 19.000 0.123 0.000 0.866 473 A HN 0.033 nan 8.150 nan 0.000 0.489 474 K N -1.057 119.263 120.400 -0.133 0.000 3.230 474 K HA -0.243 4.077 4.320 0.001 0.000 0.285 474 K C 0.120 176.598 176.600 -0.203 0.000 1.196 474 K CA 1.497 57.697 56.287 -0.145 0.000 0.838 474 K CB -2.367 30.052 32.500 -0.135 0.000 1.262 474 K HN 0.849 nan 8.250 nan 0.000 0.492 475 H N -0.720 118.352 119.070 0.003 0.000 2.465 475 H HA 0.267 4.824 4.556 0.001 0.000 0.289 475 H C 0.858 176.181 175.328 -0.008 0.000 1.022 475 H CA 0.784 56.832 56.048 -0.001 0.000 1.340 475 H CB 0.445 30.205 29.762 -0.003 0.000 1.437 475 H HN 0.141 nan 8.280 nan 0.000 0.539 476 I N 2.912 123.540 120.570 0.096 0.000 2.406 476 I HA 0.240 4.411 4.170 0.001 0.000 0.290 476 I C -2.371 173.747 176.117 0.001 0.000 0.999 476 I CA -2.470 58.848 61.300 0.030 0.000 1.124 476 I CB 2.266 40.278 38.000 0.021 0.000 1.289 476 I HN -0.085 nan 8.210 nan 0.000 0.441 477 P HA 0.108 nan 4.420 nan 0.000 0.276 477 P C 0.269 177.531 177.300 -0.063 0.000 1.230 477 P CA -0.210 62.871 63.100 -0.031 0.000 0.776 477 P CB 1.510 33.133 31.700 -0.130 0.000 0.888 478 A N 3.688 126.535 122.820 0.046 0.000 2.015 478 A HA -0.186 4.135 4.320 0.001 0.000 0.219 478 A C 1.794 179.410 177.584 0.054 0.000 1.163 478 A CA 1.187 53.249 52.037 0.041 0.000 0.646 478 A CB -1.526 17.512 19.000 0.062 0.000 0.806 478 A HN 0.725 nan 8.150 nan 0.000 0.448 479 Y N -1.685 118.615 120.300 0.001 0.000 2.583 479 Y HA 0.298 4.849 4.550 0.001 0.000 0.293 479 Y C 1.369 177.277 175.900 0.013 0.000 1.157 479 Y CA 0.947 59.050 58.100 0.004 0.000 1.315 479 Y CB -0.005 38.459 38.460 0.006 0.000 1.021 479 Y HN 0.099 nan 8.280 nan 0.000 0.536 480 K N 0.555 120.678 120.400 -0.463 0.000 2.399 480 K HA 0.267 4.588 4.320 0.001 0.000 0.204 480 K C 1.114 177.622 176.600 -0.153 0.000 1.023 480 K CA -0.101 55.968 56.287 -0.365 0.000 1.127 480 K CB 0.242 32.433 32.500 -0.515 0.000 0.856 480 K HN 0.376 nan 8.250 nan 0.000 0.514 481 L N 0.800 121.966 121.223 -0.095 0.000 2.127 481 L HA -0.218 4.122 4.340 0.001 0.000 0.211 481 L C 1.629 178.488 176.870 -0.018 0.000 1.089 481 L CA 1.331 56.142 54.840 -0.050 0.000 0.757 481 L CB -0.127 41.909 42.059 -0.037 0.000 0.899 481 L HN 0.157 nan 8.230 nan 0.000 0.434 482 E N -0.607 119.603 120.200 0.017 0.000 2.106 482 E HA -0.143 4.208 4.350 0.001 0.000 0.192 482 E C 2.147 178.805 176.600 0.096 0.000 0.984 482 E CA 1.637 58.102 56.400 0.108 0.000 0.806 482 E CB -0.231 29.599 29.700 0.217 0.000 0.750 482 E HN 0.387 nan 8.360 nan 0.000 0.458 483 T N 0.220 114.805 114.554 0.051 0.000 2.896 483 T HA 0.029 4.380 4.350 0.001 0.000 0.263 483 T C 1.859 176.553 174.700 -0.011 0.000 1.050 483 T CA 0.588 62.706 62.100 0.029 0.000 1.140 483 T CB -0.098 68.776 68.868 0.010 0.000 0.877 483 T HN 0.029 nan 8.240 nan 0.000 0.457 484 L N 0.037 121.244 121.223 -0.027 0.000 2.131 484 L HA 0.230 4.571 4.340 0.001 0.000 0.206 484 L C 0.819 177.675 176.870 -0.024 0.000 1.087 484 L CA 0.689 55.512 54.840 -0.029 0.000 0.767 484 L CB -0.264 41.772 42.059 -0.038 0.000 0.917 484 L HN 0.215 nan 8.230 nan 0.000 0.441 485 I N -0.215 120.337 120.570 -0.029 0.000 2.677 485 I HA 0.022 4.192 4.170 0.001 0.000 0.305 485 I C 1.574 177.656 176.117 -0.058 0.000 0.988 485 I CA -0.411 60.870 61.300 -0.033 0.000 1.260 485 I CB 0.964 38.947 38.000 -0.027 0.000 1.410 485 I HN 0.156 nan 8.210 nan 0.000 0.523 486 E N 2.292 122.458 120.200 -0.056 0.000 2.085 486 E HA -0.157 4.193 4.350 0.001 0.000 0.194 486 E C 0.549 177.069 176.600 -0.134 0.000 0.994 486 E CA 1.454 57.808 56.400 -0.077 0.000 0.801 486 E CB -0.569 29.095 29.700 -0.059 0.000 0.743 486 E HN 0.736 nan 8.360 nan 0.000 0.453 487 T N -2.411 112.070 114.554 -0.122 0.000 2.912 487 T HA 0.414 4.764 4.350 0.001 0.000 0.288 487 T C 0.409 175.025 174.700 -0.139 0.000 1.030 487 T CA -0.534 61.469 62.100 -0.162 0.000 1.020 487 T CB 1.341 70.181 68.868 -0.048 0.000 1.056 487 T HN 0.071 nan 8.240 nan 0.000 0.480 488 H N 0.007 119.111 119.070 0.056 0.000 2.389 488 H HA 0.027 4.583 4.556 0.001 0.000 0.299 488 H C 2.190 177.510 175.328 -0.013 0.000 1.081 488 H CA 1.603 57.674 56.048 0.039 0.000 1.345 488 H CB 0.270 30.105 29.762 0.122 0.000 1.393 488 H HN 0.831 nan 8.280 nan 0.000 0.520 489 E N 1.247 121.565 120.200 0.197 0.000 2.110 489 E HA -0.207 4.143 4.350 0.001 0.000 0.193 489 E C 2.330 179.025 176.600 0.159 0.000 0.988 489 E CA 0.655 57.176 56.400 0.202 0.000 0.804 489 E CB 0.096 29.958 29.700 0.271 0.000 0.745 489 E HN 0.333 nan 8.360 nan 0.000 0.458 490 R N -0.352 120.207 120.500 0.097 0.000 2.092 490 R HA -0.085 4.256 4.340 0.001 0.000 0.231 490 R C 2.341 178.649 176.300 0.014 0.000 1.119 490 R CA 1.230 57.368 56.100 0.064 0.000 0.970 490 R CB -0.406 29.912 30.300 0.029 0.000 0.864 490 R HN 0.256 nan 8.270 nan 0.000 0.440 491 G N 0.049 108.847 108.800 -0.004 0.000 2.440 491 G HA2 -0.224 3.737 3.960 0.001 0.000 0.218 491 G HA3 -0.224 3.737 3.960 0.001 0.000 0.218 491 G C 1.364 176.222 174.900 -0.070 0.000 1.154 491 G CA 0.945 46.028 45.100 -0.029 0.000 0.767 491 G HN 0.218 nan 8.290 nan 0.000 0.552 492 V N 0.661 120.506 119.914 -0.115 0.000 2.358 492 V HA -0.159 3.961 4.120 0.001 0.000 0.246 492 V C 2.996 178.963 176.094 -0.213 0.000 1.047 492 V CA 2.120 64.308 62.300 -0.186 0.000 1.035 492 V CB -0.335 31.296 31.823 -0.320 0.000 0.658 492 V HN 0.483 nan 8.190 nan 0.000 0.452 493 S N -0.139 115.468 115.700 -0.156 0.000 2.368 493 S HA -0.161 4.310 4.470 0.001 0.000 0.225 493 S C 1.990 176.490 174.600 -0.166 0.000 1.030 493 S CA 1.461 59.517 58.200 -0.241 0.000 0.999 493 S CB -0.241 62.969 63.200 0.017 0.000 0.844 493 S HN 0.394 nan 8.310 nan 0.000 0.459 494 I N 1.678 122.194 120.570 -0.090 0.000 2.179 494 I HA -0.108 4.062 4.170 0.001 0.000 0.242 494 I C 2.639 178.710 176.117 -0.077 0.000 1.088 494 I CA 1.458 62.718 61.300 -0.066 0.000 1.357 494 I CB -1.413 36.564 38.000 -0.039 0.000 1.051 494 I HN 0.383 nan 8.210 nan 0.000 0.409 495 R N 0.874 121.323 120.500 -0.086 0.000 2.105 495 R HA -0.154 4.187 4.340 0.001 0.000 0.239 495 R C 2.478 178.720 176.300 -0.096 0.000 1.135 495 R CA 1.314 57.369 56.100 -0.075 0.000 0.967 495 R CB -0.069 30.191 30.300 -0.066 0.000 0.861 495 R HN 0.258 nan 8.270 nan 0.000 0.442 496 R N -0.107 120.299 120.500 -0.156 0.000 2.081 496 R HA -0.152 4.188 4.340 0.001 0.000 0.235 496 R C 2.456 178.679 176.300 -0.128 0.000 1.131 496 R CA 2.031 58.024 56.100 -0.178 0.000 0.960 496 R CB -0.196 29.910 30.300 -0.322 0.000 0.856 496 R HN 0.411 nan 8.270 nan 0.000 0.436 497 Q N 0.040 119.770 119.800 -0.117 0.000 2.119 497 Q HA -0.136 4.204 4.340 0.001 0.000 0.201 497 Q C 1.980 177.948 176.000 -0.053 0.000 0.972 497 Q CA 0.983 56.740 55.803 -0.077 0.000 0.847 497 Q CB -0.022 28.678 28.738 -0.063 0.000 0.903 497 Q HN 0.149 nan 8.270 nan 0.000 0.433 498 L N 0.138 121.331 121.223 -0.049 0.000 2.046 498 L HA -0.189 4.151 4.340 0.001 0.000 0.208 498 L C 2.136 178.988 176.870 -0.031 0.000 1.077 498 L CA 1.372 56.193 54.840 -0.032 0.000 0.747 498 L CB -0.819 41.225 42.059 -0.025 0.000 0.896 498 L HN 0.243 nan 8.230 nan 0.000 0.432 499 L N -1.361 119.837 121.223 -0.041 0.000 2.056 499 L HA -0.133 4.208 4.340 0.001 0.000 0.207 499 L C 2.507 179.356 176.870 -0.034 0.000 1.078 499 L CA 1.509 56.328 54.840 -0.036 0.000 0.749 499 L CB -0.622 41.411 42.059 -0.044 0.000 0.901 499 L HN 0.166 nan 8.230 nan 0.000 0.433 500 S N -0.364 115.310 115.700 -0.044 0.000 2.400 500 S HA -0.208 4.263 4.470 0.001 0.000 0.232 500 S C 1.868 176.452 174.600 -0.027 0.000 1.025 500 S CA 1.482 59.659 58.200 -0.038 0.000 0.993 500 S CB -0.294 62.877 63.200 -0.048 0.000 0.808 500 S HN 0.472 nan 8.310 nan 0.000 0.478 501 K N 0.962 121.348 120.400 -0.024 0.000 2.211 501 K HA 0.004 4.324 4.320 0.001 0.000 0.203 501 K C 1.943 178.535 176.600 -0.014 0.000 1.050 501 K CA 0.851 57.127 56.287 -0.017 0.000 0.945 501 K CB -0.049 32.442 32.500 -0.015 0.000 0.732 501 K HN 0.282 nan 8.250 nan 0.000 0.451 502 K N 0.574 120.965 120.400 -0.014 0.000 2.296 502 K HA 0.037 4.357 4.320 0.001 0.000 0.200 502 K C 0.587 177.181 176.600 -0.010 0.000 1.048 502 K CA 0.360 56.640 56.287 -0.011 0.000 0.966 502 K CB 0.003 32.496 32.500 -0.011 0.000 0.754 502 K HN 0.045 nan 8.250 nan 0.000 0.466 503 L N 1.006 122.222 121.223 -0.012 0.000 2.453 503 L HA 0.027 4.368 4.340 0.001 0.000 0.261 503 L C 1.763 178.628 176.870 -0.007 0.000 1.179 503 L CA -0.374 54.460 54.840 -0.009 0.000 0.813 503 L CB 1.172 43.224 42.059 -0.011 0.000 1.110 503 L HN 0.092 nan 8.230 nan 0.000 0.466 504 S N -0.335 115.362 115.700 -0.005 0.000 2.402 504 S HA -0.119 4.351 4.470 0.001 0.000 0.229 504 S C 0.642 175.241 174.600 -0.002 0.000 1.021 504 S CA 0.514 58.712 58.200 -0.003 0.000 0.974 504 S CB -0.130 63.069 63.200 -0.002 0.000 0.800 504 S HN 0.642 nan 8.310 nan 0.000 0.484 505 E N 2.215 122.414 120.200 -0.001 0.000 2.114 505 E HA 0.438 4.789 4.350 0.001 0.000 0.266 505 E C -2.372 174.226 176.600 -0.004 0.000 0.896 505 E CA -2.750 53.651 56.400 0.000 0.000 0.750 505 E CB 1.664 31.368 29.700 0.006 0.000 1.121 505 E HN 0.046 nan 8.360 nan 0.000 0.413 506 P HA -0.051 nan 4.420 nan 0.000 0.226 506 P C 0.378 177.666 177.300 -0.019 0.000 1.153 506 P CA 0.733 63.825 63.100 -0.014 0.000 0.777 506 P CB 0.308 32.000 31.700 -0.013 0.000 0.794 507 S N -2.619 113.074 115.700 -0.013 0.000 2.622 507 S HA 0.193 4.663 4.470 0.001 0.000 0.236 507 S C 1.510 176.105 174.600 -0.008 0.000 0.956 507 S CA -0.231 57.958 58.200 -0.019 0.000 0.971 507 S CB -0.818 62.375 63.200 -0.012 0.000 0.782 507 S HN -0.109 nan 8.310 nan 0.000 0.468 508 S N 1.773 117.471 115.700 -0.004 0.000 2.382 508 S HA 0.075 4.546 4.470 0.001 0.000 0.228 508 S C 1.243 175.848 174.600 0.008 0.000 1.027 508 S CA 0.920 59.127 58.200 0.011 0.000 0.991 508 S CB -0.328 62.874 63.200 0.003 0.000 0.823 508 S HN 0.439 nan 8.310 nan 0.000 0.469 509 L N 1.744 122.954 121.223 -0.022 0.000 2.599 509 L HA 0.192 4.533 4.340 0.001 0.000 0.230 509 L C 2.105 178.944 176.870 -0.052 0.000 1.141 509 L CA 0.641 55.459 54.840 -0.036 0.000 0.877 509 L CB -0.765 41.254 42.059 -0.067 0.000 1.009 509 L HN 0.303 nan 8.230 nan 0.000 0.447 510 Q N -0.546 119.205 119.800 -0.082 0.000 2.077 510 Q HA -0.248 4.092 4.340 0.001 0.000 0.206 510 Q C 1.056 176.861 176.000 -0.325 0.000 0.989 510 Q CA 2.082 57.747 55.803 -0.230 0.000 0.853 510 Q CB -0.070 28.470 28.738 -0.331 0.000 0.907 510 Q HN 0.571 nan 8.270 nan 0.000 0.418 511 Y N -0.607 119.689 120.300 -0.007 0.000 2.485 511 Y HA 0.180 4.730 4.550 0.001 0.000 0.260 511 Y C -0.208 175.667 175.900 -0.042 0.000 1.173 511 Y CA -0.719 57.371 58.100 -0.015 0.000 1.252 511 Y CB 0.757 39.208 38.460 -0.014 0.000 1.123 511 Y HN 0.114 nan 8.280 nan 0.000 0.524 512 L N 4.636 125.886 121.223 0.046 0.000 2.283 512 L HA 0.407 4.748 4.340 0.001 0.000 0.287 512 L C -2.478 174.353 176.870 -0.064 0.000 1.073 512 L CA -2.396 52.425 54.840 -0.032 0.000 0.822 512 L CB 0.140 42.178 42.059 -0.035 0.000 1.186 512 L HN -0.161 nan 8.230 nan 0.000 0.436 513 P HA 0.169 nan 4.420 nan 0.000 0.274 513 P C -1.005 176.131 177.300 -0.273 0.000 1.237 513 P CA 0.147 63.077 63.100 -0.283 0.000 0.793 513 P CB 0.840 32.219 31.700 -0.536 0.000 0.977 514 Y N -1.226 119.034 120.300 -0.068 0.000 2.506 514 Y HA 0.402 4.953 4.550 0.001 0.000 0.290 514 Y C 0.528 176.707 175.900 0.465 0.000 1.003 514 Y CA -0.619 57.634 58.100 0.254 0.000 1.082 514 Y CB -0.053 38.510 38.460 0.171 0.000 1.399 514 Y HN -0.002 nan 8.280 nan 0.000 0.586 515 R N 3.001 123.263 120.500 -0.397 0.000 2.594 515 R HA 0.139 4.480 4.340 0.001 0.000 0.272 515 R C -0.335 175.989 176.300 0.040 0.000 1.074 515 R CA 0.951 56.852 56.100 -0.332 0.000 1.105 515 R CB 0.081 30.119 30.300 -0.438 0.000 1.008 515 R HN 0.378 nan 8.270 nan 0.000 0.472 516 D N -0.341 120.089 120.400 0.050 0.000 3.076 516 D HA -0.264 4.377 4.640 0.001 0.000 0.218 516 D C -0.704 175.604 176.300 0.012 0.000 1.156 516 D CA 1.180 55.203 54.000 0.038 0.000 0.921 516 D CB -1.413 39.395 40.800 0.014 0.000 1.113 516 D HN 0.457 nan 8.370 nan 0.000 0.418 517 Y N 1.488 121.710 120.300 -0.131 0.000 2.310 517 Y HA 0.374 4.925 4.550 0.001 0.000 0.326 517 Y C 0.561 176.192 175.900 -0.447 0.000 1.151 517 Y CA -0.981 56.869 58.100 -0.418 0.000 1.195 517 Y CB 0.857 38.912 38.460 -0.675 0.000 1.210 517 Y HN -0.234 nan 8.280 nan 0.000 0.483 518 N N 4.667 122.696 118.700 -1.117 0.000 2.605 518 N HA 0.016 4.756 4.740 0.001 0.000 0.258 518 N C -0.414 174.701 175.510 -0.658 0.000 1.156 518 N CA 0.421 53.050 53.050 -0.702 0.000 1.008 518 N CB -0.392 37.760 38.487 -0.559 0.000 1.354 518 N HN 0.690 nan 8.380 nan 0.000 0.509 519 Y N 0.463 120.704 120.300 -0.098 0.000 2.516 519 Y HA -0.116 4.435 4.550 0.001 0.000 0.291 519 Y C 2.449 178.229 175.900 -0.200 0.000 1.131 519 Y CA 0.684 58.786 58.100 0.004 0.000 1.281 519 Y CB 0.062 38.591 38.460 0.115 0.000 1.013 519 Y HN 0.567 nan 8.280 nan 0.000 0.554 520 S N 0.195 115.800 115.700 -0.159 0.000 2.402 520 S HA -0.210 4.260 4.470 0.001 0.000 0.233 520 S C 1.665 176.186 174.600 -0.132 0.000 1.030 520 S CA 1.354 59.398 58.200 -0.260 0.000 1.003 520 S CB -0.775 62.379 63.200 -0.077 0.000 0.813 520 S HN 0.543 nan 8.310 nan 0.000 0.477 521 L N 0.561 121.726 121.223 -0.096 0.000 2.446 521 L HA 0.173 4.513 4.340 0.001 0.000 0.219 521 L C 2.234 179.097 176.870 -0.011 0.000 1.116 521 L CA 0.119 54.924 54.840 -0.057 0.000 0.844 521 L CB -0.131 41.881 42.059 -0.078 0.000 0.970 521 L HN 0.236 nan 8.230 nan 0.000 0.457 522 V N -1.180 118.752 119.914 0.029 0.000 2.500 522 V HA -0.039 4.081 4.120 0.001 0.000 0.243 522 V C 1.176 177.318 176.094 0.079 0.000 1.039 522 V CA 0.565 62.926 62.300 0.102 0.000 1.053 522 V CB -0.218 31.749 31.823 0.240 0.000 0.695 522 V HN 0.225 nan 8.190 nan 0.000 0.463 523 M N 1.041 120.670 119.600 0.048 0.000 2.269 523 M HA 0.373 4.854 4.480 0.001 0.000 0.350 523 M C 1.287 177.603 176.300 0.027 0.000 1.429 523 M CA 0.695 56.013 55.300 0.030 0.000 1.063 523 M CB -0.725 31.853 32.600 -0.037 0.000 1.841 523 M HN 0.402 nan 8.290 nan 0.000 0.455 524 G N 2.342 111.172 108.800 0.050 0.000 2.153 524 G HA2 -0.115 3.845 3.960 0.001 0.000 0.252 524 G HA3 -0.115 3.845 3.960 0.001 0.000 0.252 524 G C 0.520 175.442 174.900 0.037 0.000 0.994 524 G CA 0.663 45.792 45.100 0.049 0.000 0.698 524 G HN 1.117 nan 8.290 nan 0.000 0.521 525 A N -2.866 119.977 122.820 0.038 0.000 1.704 525 A HA 0.497 4.817 4.320 0.001 0.000 0.205 525 A C 1.724 179.328 177.584 0.034 0.000 1.837 525 A CA 1.671 53.726 52.037 0.029 0.000 1.364 525 A CB -0.154 18.858 19.000 0.020 0.000 1.377 525 A HN 0.900 nan 8.150 nan 0.000 0.390 526 C N -1.365 117.964 119.300 0.047 0.000 3.294 526 C HA 0.584 5.044 4.460 0.001 0.000 0.441 526 C C 0.575 175.602 174.990 0.061 0.000 1.364 526 C CA 0.032 59.081 59.018 0.051 0.000 2.059 526 C CB -0.224 27.552 27.740 0.059 0.000 2.925 526 C HN 0.680 nan 8.230 nan 0.000 0.633 527 C N 1.029 120.374 119.300 0.074 0.000 3.239 527 C HA 0.648 5.109 4.460 0.001 0.000 0.329 527 C C -1.887 173.150 174.990 0.080 0.000 1.252 527 C CA -0.237 58.827 59.018 0.076 0.000 1.323 527 C CB 1.193 28.990 27.740 0.095 0.000 1.663 527 C HN 0.531 nan 8.230 nan 0.000 0.487 528 E N 1.774 122.014 120.200 0.067 0.000 2.359 528 E HA 0.535 4.885 4.350 0.001 0.000 0.266 528 E C -0.386 176.253 176.600 0.064 0.000 0.920 528 E CA -0.439 56.004 56.400 0.072 0.000 0.788 528 E CB 0.654 30.387 29.700 0.054 0.000 1.279 528 E HN 0.604 nan 8.360 nan 0.000 0.438 529 N N -0.615 118.131 118.700 0.076 0.000 2.727 529 N HA -0.148 4.592 4.740 0.001 0.000 0.249 529 N C -0.902 174.629 175.510 0.034 0.000 1.048 529 N CA 0.464 53.547 53.050 0.056 0.000 0.714 529 N CB -1.720 36.792 38.487 0.041 0.000 0.959 529 N HN 0.197 nan 8.380 nan 0.000 0.544 530 V N 1.273 121.209 119.914 0.036 0.000 2.585 530 V HA 0.062 4.182 4.120 0.001 0.000 0.296 530 V C 1.930 178.019 176.094 -0.010 0.000 1.035 530 V CA 0.209 62.535 62.300 0.042 0.000 1.084 530 V CB 0.705 32.583 31.823 0.092 0.000 0.953 530 V HN 0.407 nan 8.190 nan 0.000 0.483 531 I N 1.475 122.050 120.570 0.008 0.000 4.081 531 I HA 0.757 4.927 4.170 0.001 0.000 0.333 531 I C 0.715 176.834 176.117 0.003 0.000 1.413 531 I CA 0.301 61.577 61.300 -0.040 0.000 1.110 531 I CB 0.380 38.350 38.000 -0.050 0.000 1.082 531 I HN 0.747 nan 8.210 nan 0.000 0.402 532 G N 1.644 110.521 108.800 0.129 0.000 2.291 532 G HA2 0.131 4.092 3.960 0.001 0.000 0.249 532 G HA3 0.131 4.092 3.960 0.001 0.000 0.249 532 G C -1.776 173.233 174.900 0.181 0.000 1.340 532 G CA -0.284 44.954 45.100 0.230 0.000 1.017 532 G HN 0.447 nan 8.290 nan 0.000 0.470 533 Y N -2.335 117.952 120.300 -0.023 0.000 2.562 533 Y HA 0.867 5.417 4.550 0.001 0.000 0.345 533 Y C -0.492 175.363 175.900 -0.074 0.000 1.045 533 Y CA -1.864 56.139 58.100 -0.162 0.000 1.028 533 Y CB 2.037 40.209 38.460 -0.480 0.000 1.297 533 Y HN 0.727 nan 8.280 nan 0.000 0.463 534 M N 4.565 124.215 119.600 0.083 0.000 2.066 534 M HA 0.552 5.033 4.480 0.001 0.000 0.340 534 M C -2.935 173.445 176.300 0.133 0.000 1.053 534 M CA -3.136 52.194 55.300 0.049 0.000 0.983 534 M CB 0.667 33.286 32.600 0.032 0.000 1.520 534 M HN 0.485 nan 8.290 nan 0.000 0.428 535 P HA 0.283 nan 4.420 nan 0.000 0.281 535 P C -1.156 176.195 177.300 0.085 0.000 1.286 535 P CA -0.152 63.043 63.100 0.159 0.000 0.772 535 P CB 0.140 31.942 31.700 0.169 0.000 0.862 536 I N 5.347 125.961 120.570 0.074 0.000 2.339 536 I HA 0.283 4.454 4.170 0.001 0.000 0.290 536 I C -2.069 174.076 176.117 0.046 0.000 0.994 536 I CA -3.078 58.253 61.300 0.051 0.000 1.191 536 I CB 0.718 38.745 38.000 0.045 0.000 1.343 536 I HN 0.136 nan 8.210 nan 0.000 0.458 537 P HA 0.080 nan 4.420 nan 0.000 0.264 537 P C -0.494 176.824 177.300 0.031 0.000 1.183 537 P CA 0.034 63.154 63.100 0.034 0.000 0.763 537 P CB 0.585 32.301 31.700 0.026 0.000 0.807 538 V N 3.552 123.484 119.914 0.030 0.000 2.384 538 V HA 0.626 4.746 4.120 0.001 0.000 0.287 538 V C 0.782 176.891 176.094 0.025 0.000 1.020 538 V CA -0.289 62.027 62.300 0.027 0.000 0.850 538 V CB 1.452 33.291 31.823 0.027 0.000 0.987 538 V HN 0.751 nan 8.190 nan 0.000 0.436 539 G N 2.575 111.390 108.800 0.024 0.000 2.489 539 G HA2 0.622 4.583 3.960 0.001 0.000 0.327 539 G HA3 0.622 4.583 3.960 0.001 0.000 0.327 539 G C -1.275 173.640 174.900 0.024 0.000 1.189 539 G CA -0.671 44.443 45.100 0.023 0.000 0.962 539 G HN 0.614 nan 8.290 nan 0.000 0.486 540 V N 0.372 120.301 119.914 0.024 0.000 2.448 540 V HA 0.767 4.888 4.120 0.001 0.000 0.295 540 V C -0.051 176.060 176.094 0.028 0.000 1.025 540 V CA -0.525 61.792 62.300 0.028 0.000 0.859 540 V CB 1.132 32.971 31.823 0.027 0.000 0.988 540 V HN 1.194 nan 8.190 nan 0.000 0.431 541 A N 4.908 127.748 122.820 0.032 0.000 2.303 541 A HA 1.021 5.341 4.320 0.001 0.000 0.320 541 A C 0.216 177.825 177.584 0.043 0.000 1.192 541 A CA 0.279 52.336 52.037 0.033 0.000 0.821 541 A CB 1.137 20.155 19.000 0.030 0.000 1.188 541 A HN 2.035 nan 8.150 nan 0.000 0.492 542 G N 1.776 110.600 108.800 0.040 0.000 2.343 542 G HA2 0.477 4.438 3.960 0.001 0.000 0.289 542 G HA3 0.477 4.438 3.960 0.001 0.000 0.289 542 G C -3.417 171.502 174.900 0.033 0.000 1.295 542 G CA -0.503 44.625 45.100 0.046 0.000 0.869 542 G HN 0.645 nan 8.290 nan 0.000 0.522 543 P HA 0.408 nan 4.420 nan 0.000 0.271 543 P C -0.565 176.769 177.300 0.058 0.000 1.216 543 P CA -0.265 62.858 63.100 0.039 0.000 0.771 543 P CB 1.536 33.243 31.700 0.011 0.000 0.864 544 L N 5.020 126.305 121.223 0.104 0.000 2.261 544 L HA 0.233 4.574 4.340 0.001 0.000 0.289 544 L C -0.501 176.460 176.870 0.153 0.000 1.059 544 L CA -0.339 54.578 54.840 0.128 0.000 0.816 544 L CB -0.228 41.925 42.059 0.157 0.000 1.191 544 L HN 0.364 nan 8.230 nan 0.000 0.431 545 C N 6.464 125.820 119.300 0.092 0.000 2.383 545 C HA 0.496 4.956 4.460 0.001 0.000 0.350 545 C C 0.031 175.086 174.990 0.107 0.000 1.173 545 C CA -0.640 58.422 59.018 0.074 0.000 1.645 545 C CB -1.238 26.524 27.740 0.036 0.000 2.221 545 C HN 0.689 nan 8.230 nan 0.000 0.528 546 L N 4.104 125.435 121.223 0.180 0.000 2.409 546 L HA 0.470 4.810 4.340 0.001 0.000 0.272 546 L C -0.152 176.839 176.870 0.201 0.000 0.980 546 L CA 0.512 55.472 54.840 0.200 0.000 0.826 546 L CB 1.008 43.221 42.059 0.257 0.000 1.268 546 L HN 0.650 nan 8.230 nan 0.000 0.407 547 D N 4.124 124.596 120.400 0.120 0.000 2.686 547 D HA -0.251 4.389 4.640 0.001 0.000 0.235 547 D C 0.353 176.695 176.300 0.071 0.000 1.160 547 D CA 1.352 55.409 54.000 0.095 0.000 0.645 547 D CB -0.433 40.433 40.800 0.111 0.000 1.039 547 D HN 0.968 nan 8.370 nan 0.000 0.423 548 E N -2.199 118.028 120.200 0.045 0.000 3.170 548 E HA -0.274 4.076 4.350 0.001 0.000 0.284 548 E C 0.143 176.728 176.600 -0.025 0.000 0.967 548 E CA 1.317 57.725 56.400 0.012 0.000 0.919 548 E CB -0.397 29.309 29.700 0.011 0.000 1.469 548 E HN 0.516 nan 8.360 nan 0.000 0.444 549 K N 0.114 120.489 120.400 -0.041 0.000 2.352 549 K HA 0.534 4.855 4.320 0.001 0.000 0.240 549 K C -0.499 175.930 176.600 -0.285 0.000 1.017 549 K CA -0.724 55.439 56.287 -0.207 0.000 0.851 549 K CB 1.637 33.946 32.500 -0.319 0.000 1.261 549 K HN -0.053 nan 8.250 nan 0.000 0.451 550 E N 1.238 121.159 120.200 -0.465 0.000 2.199 550 E HA 0.336 4.686 4.350 0.001 0.000 0.265 550 E C -1.380 174.907 176.600 -0.522 0.000 0.882 550 E CA -0.496 55.706 56.400 -0.329 0.000 0.759 550 E CB 1.246 30.847 29.700 -0.164 0.000 1.148 550 E HN 0.248 nan 8.360 nan 0.000 0.412 551 F N 1.438 121.389 119.950 0.002 0.000 2.495 551 F HA 0.270 4.798 4.527 0.001 0.000 0.327 551 F C 0.349 176.151 175.800 0.003 0.000 1.103 551 F CA -1.020 56.982 58.000 0.002 0.000 0.949 551 F CB 1.654 40.655 39.000 0.003 0.000 1.142 551 F HN 0.117 nan 8.300 nan 0.000 0.457 552 Q N 3.229 123.135 119.800 0.177 0.000 2.398 552 Q HA 0.352 4.693 4.340 0.001 0.000 0.251 552 Q C -0.803 175.261 176.000 0.107 0.000 0.999 552 Q CA -0.484 55.383 55.803 0.106 0.000 0.874 552 Q CB 1.966 30.741 28.738 0.061 0.000 1.215 552 Q HN 0.398 nan 8.270 nan 0.000 0.470 553 V N 5.760 125.727 119.914 0.088 0.000 2.385 553 V HA 0.257 4.378 4.120 0.001 0.000 0.269 553 V C -1.940 174.179 176.094 0.041 0.000 1.043 553 V CA -1.605 60.731 62.300 0.060 0.000 0.906 553 V CB 0.957 32.804 31.823 0.040 0.000 0.995 553 V HN 0.529 nan 8.190 nan 0.000 0.467 554 P HA 0.397 nan 4.420 nan 0.000 0.280 554 P C -0.922 176.396 177.300 0.029 0.000 1.244 554 P CA -0.362 62.757 63.100 0.031 0.000 0.784 554 P CB 0.939 32.656 31.700 0.028 0.000 0.913 555 M N 2.383 122.000 119.600 0.027 0.000 2.124 555 M HA 0.465 4.945 4.480 0.001 0.000 0.280 555 M C -0.510 175.807 176.300 0.028 0.000 0.954 555 M CA -0.633 54.683 55.300 0.026 0.000 0.958 555 M CB 2.459 35.071 32.600 0.020 0.000 1.611 555 M HN 0.275 nan 8.290 nan 0.000 0.449 556 A N 2.596 125.436 122.820 0.032 0.000 2.260 556 A HA 0.755 5.075 4.320 0.001 0.000 0.312 556 A C -0.199 177.402 177.584 0.029 0.000 1.321 556 A CA -0.248 51.809 52.037 0.033 0.000 0.928 556 A CB 0.560 19.583 19.000 0.039 0.000 1.158 556 A HN 0.740 nan 8.150 nan 0.000 0.542 557 T N 0.226 114.795 114.554 0.026 0.000 2.840 557 T HA 0.531 4.881 4.350 0.001 0.000 0.317 557 T C 0.495 175.207 174.700 0.020 0.000 1.401 557 T CA 0.361 62.474 62.100 0.022 0.000 1.028 557 T CB 1.380 70.260 68.868 0.020 0.000 1.317 557 T HN 0.950 nan 8.240 nan 0.000 0.495 558 T N -0.681 113.883 114.554 0.017 0.000 3.132 558 T HA 0.374 4.725 4.350 0.001 0.000 0.274 558 T C 0.275 174.982 174.700 0.011 0.000 1.011 558 T CA -0.301 61.807 62.100 0.013 0.000 0.899 558 T CB -0.020 68.854 68.868 0.011 0.000 1.089 558 T HN 0.576 nan 8.240 nan 0.000 0.543 559 E N 1.613 121.821 120.200 0.014 0.000 2.105 559 E HA 0.492 4.843 4.350 0.001 0.000 0.285 559 E C 0.578 177.187 176.600 0.016 0.000 1.055 559 E CA -0.714 55.695 56.400 0.015 0.000 0.843 559 E CB 0.374 30.087 29.700 0.021 0.000 1.067 559 E HN 0.490 nan 8.360 nan 0.000 0.398 560 G N 2.699 111.505 108.800 0.010 0.000 2.353 560 G HA2 0.056 4.017 3.960 0.001 0.000 0.239 560 G HA3 0.056 4.017 3.960 0.001 0.000 0.239 560 G C 0.531 175.438 174.900 0.011 0.000 1.295 560 G CA 0.006 45.111 45.100 0.009 0.000 0.884 560 G HN 0.942 nan 8.290 nan 0.000 0.537 561 C N 0.951 120.258 119.300 0.013 0.000 5.538 561 C HA -0.191 4.269 4.460 0.001 0.000 0.254 561 C C 2.315 177.322 174.990 0.028 0.000 1.712 561 C CA 0.555 59.582 59.018 0.014 0.000 1.530 561 C CB -1.988 25.755 27.740 0.004 0.000 2.410 561 C HN 0.833 nan 8.230 nan 0.000 0.564 562 L N 1.565 122.811 121.223 0.038 0.000 1.994 562 L HA -0.038 4.303 4.340 0.001 0.000 0.208 562 L C 2.307 179.210 176.870 0.055 0.000 1.071 562 L CA 2.721 57.599 54.840 0.064 0.000 0.745 562 L CB -0.670 41.425 42.059 0.060 0.000 0.892 562 L HN 0.333 nan 8.230 nan 0.000 0.431 563 V N 0.177 120.113 119.914 0.037 0.000 2.295 563 V HA -0.277 3.843 4.120 0.001 0.000 0.246 563 V C 2.808 178.921 176.094 0.031 0.000 1.049 563 V CA 1.668 63.987 62.300 0.031 0.000 1.024 563 V CB -1.521 30.317 31.823 0.025 0.000 0.648 563 V HN 0.603 nan 8.190 nan 0.000 0.447 564 A N -0.651 122.186 122.820 0.027 0.000 1.902 564 A HA -0.249 4.072 4.320 0.001 0.000 0.217 564 A C 2.564 180.164 177.584 0.027 0.000 1.181 564 A CA 2.348 54.399 52.037 0.023 0.000 0.623 564 A CB -0.782 18.228 19.000 0.017 0.000 0.818 564 A HN 0.481 nan 8.150 nan 0.000 0.443 565 S N -1.026 114.694 115.700 0.034 0.000 2.355 565 S HA -0.132 4.338 4.470 0.001 0.000 0.222 565 S C 2.076 176.709 174.600 0.054 0.000 1.031 565 S CA 2.116 60.340 58.200 0.040 0.000 0.993 565 S CB -0.620 62.606 63.200 0.044 0.000 0.859 565 S HN 0.624 nan 8.310 nan 0.000 0.453 566 T N 1.968 116.561 114.554 0.065 0.000 2.759 566 T HA -0.099 4.251 4.350 0.001 0.000 0.269 566 T C 1.728 176.450 174.700 0.037 0.000 1.042 566 T CA 1.594 63.726 62.100 0.053 0.000 1.140 566 T CB -0.717 68.172 68.868 0.036 0.000 0.864 566 T HN 0.506 nan 8.240 nan 0.000 0.455 567 N N 0.982 119.702 118.700 0.033 0.000 2.166 567 N HA -0.093 4.647 4.740 0.001 0.000 0.186 567 N C 1.912 177.437 175.510 0.026 0.000 1.019 567 N CA 1.135 54.202 53.050 0.028 0.000 0.856 567 N CB -0.168 38.334 38.487 0.025 0.000 0.993 567 N HN 0.320 nan 8.380 nan 0.000 0.426 568 R N -0.558 119.957 120.500 0.025 0.000 2.096 568 R HA -0.046 4.295 4.340 0.001 0.000 0.235 568 R C 2.106 178.419 176.300 0.022 0.000 1.127 568 R CA 1.523 57.636 56.100 0.021 0.000 0.968 568 R CB -0.665 29.646 30.300 0.018 0.000 0.861 568 R HN 0.327 nan 8.270 nan 0.000 0.440 569 G N 0.200 109.017 108.800 0.028 0.000 2.418 569 G HA2 -0.280 3.680 3.960 0.001 0.000 0.217 569 G HA3 -0.280 3.680 3.960 0.001 0.000 0.217 569 G C 1.539 176.452 174.900 0.022 0.000 1.158 569 G CA 0.971 46.087 45.100 0.026 0.000 0.771 569 G HN 0.427 nan 8.290 nan 0.000 0.545 570 C N -0.063 119.252 119.300 0.025 0.000 2.429 570 C HA 0.029 4.490 4.460 0.001 0.000 0.277 570 C C 2.842 177.846 174.990 0.024 0.000 1.262 570 C CA 0.986 60.021 59.018 0.028 0.000 1.733 570 C CB -0.704 27.057 27.740 0.034 0.000 2.010 570 C HN 0.496 nan 8.230 nan 0.000 0.483 571 R N 1.779 122.292 120.500 0.021 0.000 2.081 571 R HA -0.055 4.286 4.340 0.001 0.000 0.235 571 R C 2.108 178.417 176.300 0.015 0.000 1.131 571 R CA 2.085 58.195 56.100 0.017 0.000 0.960 571 R CB -0.797 29.512 30.300 0.015 0.000 0.856 571 R HN 0.454 nan 8.270 nan 0.000 0.436 572 A N 0.308 123.136 122.820 0.014 0.000 1.902 572 A HA -0.088 4.233 4.320 0.001 0.000 0.217 572 A C 2.304 179.894 177.584 0.011 0.000 1.181 572 A CA 1.638 53.682 52.037 0.012 0.000 0.623 572 A CB -0.573 18.434 19.000 0.011 0.000 0.818 572 A HN 0.365 nan 8.150 nan 0.000 0.443 573 I N -0.288 120.289 120.570 0.012 0.000 2.226 573 I HA -0.199 3.971 4.170 0.001 0.000 0.245 573 I C 2.715 178.842 176.117 0.016 0.000 1.100 573 I CA 1.114 62.421 61.300 0.012 0.000 1.374 573 I CB -0.627 37.381 38.000 0.014 0.000 1.057 573 I HN 0.396 nan 8.210 nan 0.000 0.413 574 G N 1.092 109.903 108.800 0.019 0.000 2.446 574 G HA2 -0.208 3.753 3.960 0.001 0.000 0.217 574 G HA3 -0.208 3.753 3.960 0.001 0.000 0.217 574 G C 1.638 176.546 174.900 0.014 0.000 1.168 574 G CA 0.601 45.711 45.100 0.017 0.000 0.771 574 G HN 0.312 nan 8.290 nan 0.000 0.551 575 L N 0.850 122.081 121.223 0.013 0.000 2.478 575 L HA 0.163 4.503 4.340 0.001 0.000 0.223 575 L C 2.588 179.466 176.870 0.013 0.000 1.140 575 L CA 0.429 55.276 54.840 0.012 0.000 0.842 575 L CB 0.054 42.119 42.059 0.011 0.000 0.953 575 L HN 0.299 nan 8.230 nan 0.000 0.452 576 G N -1.322 107.487 108.800 0.015 0.000 3.284 576 G HA2 0.331 4.291 3.960 0.001 0.000 0.236 576 G HA3 0.331 4.291 3.960 0.001 0.000 0.236 576 G C 1.216 176.128 174.900 0.020 0.000 1.158 576 G CA 0.450 45.561 45.100 0.017 0.000 0.774 576 G HN 0.416 nan 8.290 nan 0.000 0.545 577 G N -1.440 107.371 108.800 0.018 0.000 2.175 577 G HA2 0.290 4.250 3.960 0.001 0.000 0.244 577 G HA3 0.290 4.250 3.960 0.001 0.000 0.244 577 G C 0.905 175.818 174.900 0.022 0.000 0.982 577 G CA 0.529 45.640 45.100 0.019 0.000 0.641 577 G HN 2.153 nan 8.290 nan 0.000 0.527 578 G N -1.202 107.611 108.800 0.022 0.000 2.663 578 G HA2 0.504 4.465 3.960 0.001 0.000 0.686 578 G HA3 0.504 4.465 3.960 0.001 0.000 0.686 578 G C 0.015 174.932 174.900 0.028 0.000 1.288 578 G CA 0.784 45.900 45.100 0.028 0.000 0.836 578 G HN 2.187 nan 8.290 nan 0.000 0.584 579 A N -0.031 122.809 122.820 0.034 0.000 2.295 579 A HA 0.934 5.255 4.320 0.001 0.000 0.318 579 A C 0.470 178.077 177.584 0.037 0.000 1.134 579 A CA 0.481 52.533 52.037 0.025 0.000 0.827 579 A CB 1.402 20.413 19.000 0.018 0.000 1.136 579 A HN 1.882 nan 8.150 nan 0.000 0.493 580 S N 0.268 115.985 115.700 0.029 0.000 2.521 580 S HA 0.748 5.218 4.470 0.001 0.000 0.295 580 S C -0.295 174.319 174.600 0.024 0.000 1.098 580 S CA -0.385 57.837 58.200 0.036 0.000 0.999 580 S CB 1.575 64.799 63.200 0.041 0.000 1.034 580 S HN 1.272 nan 8.310 nan 0.000 0.483 581 S N 2.591 118.306 115.700 0.025 0.000 2.595 581 S HA 0.824 5.295 4.470 0.001 0.000 0.281 581 S C -1.420 173.186 174.600 0.012 0.000 1.117 581 S CA -1.125 57.082 58.200 0.011 0.000 0.873 581 S CB 1.578 64.776 63.200 -0.003 0.000 1.108 581 S HN 0.511 nan 8.310 nan 0.000 0.477 582 R N 0.797 121.299 120.500 0.003 0.000 2.604 582 R HA 0.501 4.841 4.340 0.001 0.000 0.281 582 R C -1.578 174.718 176.300 -0.007 0.000 1.020 582 R CA -0.691 55.410 56.100 0.002 0.000 0.899 582 R CB 1.882 32.184 30.300 0.004 0.000 1.205 582 R HN 0.621 nan 8.270 nan 0.000 0.450 583 V N 5.168 125.078 119.914 -0.007 0.000 2.432 583 V HA 0.172 4.292 4.120 0.001 0.000 0.271 583 V C 1.543 177.630 176.094 -0.013 0.000 1.046 583 V CA -0.015 62.278 62.300 -0.011 0.000 0.945 583 V CB 0.982 32.800 31.823 -0.009 0.000 0.992 583 V HN 0.625 nan 8.190 nan 0.000 0.471 584 L N 3.996 125.207 121.223 -0.021 0.000 2.408 584 L HA 0.539 4.879 4.340 0.001 0.000 0.215 584 L C 0.893 177.747 176.870 -0.027 0.000 1.081 584 L CA 0.712 55.536 54.840 -0.027 0.000 0.840 584 L CB -0.012 42.022 42.059 -0.042 0.000 1.002 584 L HN 0.718 nan 8.230 nan 0.000 0.468 585 A N -0.666 122.139 122.820 -0.025 0.000 2.604 585 A HA 0.614 4.934 4.320 0.001 0.000 0.295 585 A C -1.930 175.648 177.584 -0.010 0.000 1.067 585 A CA -0.378 51.647 52.037 -0.020 0.000 0.683 585 A CB 1.856 20.836 19.000 -0.033 0.000 1.281 585 A HN -0.033 nan 8.150 nan 0.000 0.407 586 D N -0.070 120.331 120.400 0.001 0.000 2.616 586 D HA 0.570 5.211 4.640 0.001 0.000 0.238 586 D C -0.515 175.799 176.300 0.023 0.000 1.354 586 D CA 0.804 54.809 54.000 0.010 0.000 0.970 586 D CB 1.515 42.322 40.800 0.012 0.000 1.369 586 D HN 1.354 nan 8.370 nan 0.000 0.585 587 G N 2.532 111.348 108.800 0.027 0.000 2.193 587 G HA2 0.374 4.335 3.960 0.001 0.000 0.305 587 G HA3 0.374 4.335 3.960 0.001 0.000 0.305 587 G C -0.884 174.048 174.900 0.052 0.000 1.427 587 G CA -0.889 44.239 45.100 0.046 0.000 1.137 587 G HN 0.353 nan 8.290 nan 0.000 0.576 588 M N 2.510 122.154 119.600 0.073 0.000 2.240 588 M HA 0.699 5.179 4.480 0.001 0.000 0.333 588 M C 0.745 177.115 176.300 0.116 0.000 1.110 588 M CA -0.234 55.116 55.300 0.083 0.000 1.173 588 M CB 0.819 33.469 32.600 0.084 0.000 1.458 588 M HN 0.794 nan 8.290 nan 0.000 0.458 589 T N 1.988 116.610 114.554 0.113 0.000 2.907 589 T HA 0.863 5.213 4.350 0.001 0.000 0.292 589 T C -0.956 173.850 174.700 0.176 0.000 1.043 589 T CA -1.022 61.166 62.100 0.146 0.000 1.003 589 T CB 1.705 70.628 68.868 0.091 0.000 1.084 589 T HN 0.751 nan 8.240 nan 0.000 0.483 590 R N 0.267 120.920 120.500 0.255 0.000 2.574 590 R HA 0.693 5.034 4.340 0.001 0.000 0.288 590 R C -0.400 176.115 176.300 0.360 0.000 1.004 590 R CA -0.511 55.745 56.100 0.261 0.000 0.895 590 R CB 1.740 32.178 30.300 0.231 0.000 1.191 590 R HN 1.109 nan 8.270 nan 0.000 0.444 591 G N 5.298 114.293 108.800 0.325 0.000 4.106 591 G HA2 0.339 4.299 3.960 0.001 0.000 0.344 591 G HA3 0.339 4.299 3.960 0.001 0.000 0.344 591 G C -2.510 172.623 174.900 0.388 0.000 1.477 591 G CA -1.224 44.133 45.100 0.427 0.000 1.068 591 G HN 0.471 nan 8.290 nan 0.000 0.488 592 P HA 0.172 nan 4.420 nan 0.000 0.272 592 P C -0.168 177.211 177.300 0.132 0.000 1.230 592 P CA -0.221 63.014 63.100 0.225 0.000 0.788 592 P CB 2.254 34.086 31.700 0.221 0.000 0.949 593 V N 3.111 123.026 119.914 0.001 0.000 2.384 593 V HA 0.405 4.526 4.120 0.001 0.000 0.287 593 V C -0.164 175.810 176.094 -0.201 0.000 1.020 593 V CA -0.706 61.421 62.300 -0.289 0.000 0.850 593 V CB 1.233 32.824 31.823 -0.388 0.000 0.987 593 V HN 0.433 nan 8.190 nan 0.000 0.436 594 V N 5.176 124.947 119.914 -0.238 0.000 2.881 594 V HA 0.781 4.901 4.120 0.001 0.000 0.316 594 V C -0.445 175.542 176.094 -0.177 0.000 1.070 594 V CA -0.971 61.243 62.300 -0.142 0.000 0.976 594 V CB 2.007 33.790 31.823 -0.067 0.000 1.038 594 V HN 0.911 nan 8.190 nan 0.000 0.446 595 R N 2.847 123.283 120.500 -0.108 0.000 2.628 595 R HA 0.698 5.039 4.340 0.001 0.000 0.288 595 R C -1.592 174.674 176.300 -0.058 0.000 0.980 595 R CA -0.832 55.213 56.100 -0.093 0.000 0.891 595 R CB 2.076 32.333 30.300 -0.071 0.000 1.188 595 R HN 0.547 nan 8.270 nan 0.000 0.450 596 L N 2.589 123.776 121.223 -0.061 0.000 2.304 596 L HA 0.441 4.781 4.340 0.001 0.000 0.268 596 L C -1.544 175.312 176.870 -0.022 0.000 1.010 596 L CA -2.526 52.289 54.840 -0.041 0.000 0.813 596 L CB 1.463 43.480 42.059 -0.071 0.000 1.315 596 L HN 0.309 nan 8.230 nan 0.000 0.445 597 P HA -0.048 nan 4.420 nan 0.000 0.216 597 P C -0.282 177.015 177.300 -0.005 0.000 1.150 597 P CA 1.487 64.586 63.100 -0.001 0.000 0.837 597 P CB 0.368 32.073 31.700 0.008 0.000 0.786 598 R N -2.771 117.724 120.500 -0.009 0.000 2.836 598 R HA 0.633 4.973 4.340 0.001 0.000 0.269 598 R C 0.864 177.153 176.300 -0.018 0.000 1.010 598 R CA -0.482 55.613 56.100 -0.008 0.000 0.930 598 R CB 0.810 31.109 30.300 -0.001 0.000 1.218 598 R HN -0.239 nan 8.270 nan 0.000 0.473 599 A N 0.269 123.081 122.820 -0.013 0.000 1.972 599 A HA -0.119 4.201 4.320 0.001 0.000 0.219 599 A C 1.646 179.219 177.584 -0.018 0.000 1.169 599 A CA 1.351 53.378 52.037 -0.017 0.000 0.635 599 A CB -0.705 18.290 19.000 -0.008 0.000 0.810 599 A HN 0.779 nan 8.150 nan 0.000 0.446 600 C N -0.208 119.087 119.300 -0.009 0.000 2.422 600 C HA -0.080 4.380 4.460 0.001 0.000 0.279 600 C C 2.245 177.230 174.990 -0.008 0.000 1.305 600 C CA 0.972 59.988 59.018 -0.003 0.000 1.757 600 C CB -1.027 26.718 27.740 0.007 0.000 1.962 600 C HN 0.600 nan 8.230 nan 0.000 0.499 601 D N 1.114 121.504 120.400 -0.017 0.000 2.123 601 D HA -0.080 4.561 4.640 0.001 0.000 0.200 601 D C 2.333 178.570 176.300 -0.105 0.000 0.976 601 D CA 1.820 55.801 54.000 -0.032 0.000 0.831 601 D CB -0.594 40.196 40.800 -0.017 0.000 0.974 601 D HN 0.611 nan 8.370 nan 0.000 0.469 602 S N 1.158 116.799 115.700 -0.098 0.000 2.382 602 S HA -0.075 4.396 4.470 0.001 0.000 0.228 602 S C 2.228 176.759 174.600 -0.116 0.000 1.027 602 S CA 1.158 59.280 58.200 -0.131 0.000 0.991 602 S CB -0.354 62.788 63.200 -0.097 0.000 0.823 602 S HN 0.228 nan 8.310 nan 0.000 0.469 603 A N 1.792 124.571 122.820 -0.068 0.000 1.908 603 A HA -0.137 4.184 4.320 0.001 0.000 0.218 603 A C 2.213 179.779 177.584 -0.032 0.000 1.181 603 A CA 1.671 53.684 52.037 -0.041 0.000 0.627 603 A CB -0.867 18.123 19.000 -0.017 0.000 0.818 603 A HN 0.697 nan 8.150 nan 0.000 0.445 604 E N -0.220 119.959 120.200 -0.035 0.000 2.077 604 E HA -0.130 4.220 4.350 0.001 0.000 0.193 604 E C 1.901 178.479 176.600 -0.037 0.000 0.989 604 E CA 1.450 57.862 56.400 0.019 0.000 0.800 604 E CB -0.098 29.647 29.700 0.074 0.000 0.746 604 E HN 0.366 nan 8.360 nan 0.000 0.452 605 V N 1.516 121.234 119.914 -0.326 0.000 2.343 605 V HA -0.244 3.876 4.120 0.001 0.000 0.247 605 V C 2.508 178.547 176.094 -0.093 0.000 1.051 605 V CA 1.990 63.970 62.300 -0.533 0.000 1.036 605 V CB -0.546 30.825 31.823 -0.754 0.000 0.654 605 V HN 0.252 nan 8.190 nan 0.000 0.451 606 K N 0.368 120.724 120.400 -0.075 0.000 2.032 606 K HA -0.207 4.114 4.320 0.001 0.000 0.209 606 K C 2.218 178.838 176.600 0.033 0.000 1.048 606 K CA 1.684 57.958 56.287 -0.021 0.000 0.927 606 K CB -0.331 32.141 32.500 -0.047 0.000 0.712 606 K HN 0.432 nan 8.250 nan 0.000 0.441 607 A N 0.338 123.191 122.820 0.055 0.000 1.902 607 A HA -0.196 4.124 4.320 0.001 0.000 0.217 607 A C 1.915 179.578 177.584 0.131 0.000 1.181 607 A CA 1.412 53.493 52.037 0.073 0.000 0.623 607 A CB -1.057 17.991 19.000 0.078 0.000 0.818 607 A HN 0.708 nan 8.150 nan 0.000 0.443 608 W N 0.548 121.868 121.300 0.034 0.000 2.358 608 W HA -0.143 4.517 4.660 0.000 0.000 0.303 608 W C 1.688 178.239 176.519 0.054 0.000 1.208 608 W CA 1.874 59.272 57.345 0.088 0.000 1.274 608 W CB -0.182 29.432 29.460 0.257 0.000 1.138 608 W HN 0.256 nan 8.180 nan 0.000 0.515 609 L N 0.171 121.585 121.223 0.319 0.000 2.275 609 L HA -0.136 4.205 4.340 0.001 0.000 0.215 609 L C 2.019 178.905 176.870 0.026 0.000 1.119 609 L CA 1.309 56.260 54.840 0.185 0.000 0.790 609 L CB -0.615 41.563 42.059 0.198 0.000 0.919 609 L HN 0.011 nan 8.230 nan 0.000 0.443 610 E N -0.664 119.525 120.200 -0.018 0.000 2.435 610 E HA -0.038 4.313 4.350 0.001 0.000 0.195 610 E C 0.810 177.344 176.600 -0.109 0.000 1.029 610 E CA 0.348 56.704 56.400 -0.074 0.000 0.865 610 E CB 0.170 29.832 29.700 -0.062 0.000 0.833 610 E HN 0.460 nan 8.360 nan 0.000 0.510 611 T N -0.960 113.508 114.554 -0.143 0.000 2.918 611 T HA 0.047 4.397 4.350 0.001 0.000 0.302 611 T C 1.482 176.083 174.700 -0.165 0.000 1.045 611 T CA -0.054 61.942 62.100 -0.174 0.000 1.114 611 T CB 1.683 70.402 68.868 -0.248 0.000 0.965 611 T HN 0.016 nan 8.240 nan 0.000 0.540 612 S N 1.622 117.251 115.700 -0.118 0.000 2.382 612 S HA -0.181 4.290 4.470 0.001 0.000 0.228 612 S C 1.571 176.127 174.600 -0.072 0.000 1.027 612 S CA 1.106 59.271 58.200 -0.057 0.000 0.991 612 S CB -0.621 62.552 63.200 -0.046 0.000 0.823 612 S HN 0.818 nan 8.310 nan 0.000 0.469 613 E N 1.867 121.967 120.200 -0.168 0.000 2.072 613 E HA 0.123 4.473 4.350 0.001 0.000 0.191 613 E C 2.361 178.718 176.600 -0.404 0.000 0.985 613 E CA 1.062 57.333 56.400 -0.215 0.000 0.801 613 E CB -1.064 28.516 29.700 -0.199 0.000 0.750 613 E HN 0.622 nan 8.360 nan 0.000 0.452 614 G N 0.239 108.595 108.800 -0.739 0.000 2.418 614 G HA2 -0.283 3.677 3.960 0.001 0.000 0.217 614 G HA3 -0.283 3.677 3.960 0.001 0.000 0.217 614 G C 1.453 175.982 174.900 -0.619 0.000 1.158 614 G CA 0.624 44.865 45.100 -1.432 0.000 0.771 614 G HN 0.273 nan 8.290 nan 0.000 0.545 615 F N 2.450 122.164 119.950 -0.394 0.000 2.171 615 F HA 0.103 4.631 4.527 0.001 0.000 0.300 615 F C 2.746 178.492 175.800 -0.090 0.000 1.090 615 F CA 1.194 59.093 58.000 -0.168 0.000 1.293 615 F CB -0.234 38.685 39.000 -0.135 0.000 1.013 615 F HN 0.223 nan 8.300 nan 0.000 0.486 616 A N -0.176 122.570 122.820 -0.124 0.000 1.902 616 A HA -0.132 4.189 4.320 0.001 0.000 0.217 616 A C 2.296 179.800 177.584 -0.134 0.000 1.181 616 A CA 2.000 53.954 52.037 -0.139 0.000 0.623 616 A CB -1.366 17.611 19.000 -0.038 0.000 0.818 616 A HN 0.272 nan 8.150 nan 0.000 0.443 617 V N 0.489 120.346 119.914 -0.094 0.000 2.358 617 V HA -0.220 3.901 4.120 0.001 0.000 0.246 617 V C 2.419 178.555 176.094 0.071 0.000 1.047 617 V CA 1.660 63.979 62.300 0.032 0.000 1.035 617 V CB -0.633 31.254 31.823 0.106 0.000 0.658 617 V HN 0.506 nan 8.190 nan 0.000 0.452 618 I N 0.222 120.817 120.570 0.042 0.000 2.252 618 I HA -0.205 3.966 4.170 0.001 0.000 0.245 618 I C 2.422 178.549 176.117 0.017 0.000 1.102 618 I CA 1.673 63.041 61.300 0.114 0.000 1.385 618 I CB -1.168 36.944 38.000 0.188 0.000 1.064 618 I HN 0.381 nan 8.210 nan 0.000 0.414 619 K N 1.095 121.330 120.400 -0.275 0.000 2.057 619 K HA -0.238 4.083 4.320 0.001 0.000 0.207 619 K C 2.104 178.690 176.600 -0.022 0.000 1.049 619 K CA 1.646 57.770 56.287 -0.271 0.000 0.931 619 K CB -0.059 32.091 32.500 -0.583 0.000 0.714 619 K HN 0.261 nan 8.250 nan 0.000 0.440 620 E N -0.232 119.955 120.200 -0.022 0.000 2.085 620 E HA -0.218 4.133 4.350 0.001 0.000 0.194 620 E C 1.770 178.413 176.600 0.072 0.000 0.994 620 E CA 1.180 57.599 56.400 0.032 0.000 0.801 620 E CB -0.119 29.601 29.700 0.033 0.000 0.743 620 E HN 0.453 nan 8.360 nan 0.000 0.453 621 A N 0.426 123.306 122.820 0.100 0.000 1.898 621 A HA -0.155 4.165 4.320 0.001 0.000 0.216 621 A C 1.989 179.634 177.584 0.102 0.000 1.181 621 A CA 1.133 53.232 52.037 0.103 0.000 0.620 621 A CB -0.852 18.229 19.000 0.135 0.000 0.819 621 A HN 0.474 nan 8.150 nan 0.000 0.442 622 F N 1.151 121.106 119.950 0.009 0.000 2.102 622 F HA -0.198 4.329 4.527 0.001 0.000 0.298 622 F C 1.596 177.398 175.800 0.003 0.000 1.105 622 F CA 2.157 60.156 58.000 -0.002 0.000 1.239 622 F CB -0.057 38.968 39.000 0.042 0.000 0.991 622 F HN 0.226 nan 8.300 nan 0.000 0.474 623 D N -0.463 120.103 120.400 0.277 0.000 2.310 623 D HA -0.109 4.532 4.640 0.001 0.000 0.212 623 D C 2.336 178.663 176.300 0.045 0.000 0.965 623 D CA 1.230 55.337 54.000 0.180 0.000 0.879 623 D CB -0.449 40.442 40.800 0.152 0.000 0.921 623 D HN 0.365 nan 8.370 nan 0.000 0.510 624 S N -0.589 115.120 115.700 0.014 0.000 2.607 624 S HA -0.078 4.392 4.470 0.001 0.000 0.224 624 S C 1.785 176.356 174.600 -0.048 0.000 0.969 624 S CA 1.043 59.235 58.200 -0.013 0.000 0.927 624 S CB -0.458 62.742 63.200 -0.001 0.000 0.772 624 S HN 0.297 nan 8.310 nan 0.000 0.533 625 T N -2.143 112.355 114.554 -0.094 0.000 3.051 625 T HA 0.307 4.657 4.350 0.001 0.000 0.255 625 T C 0.654 175.304 174.700 -0.082 0.000 1.085 625 T CA 0.357 62.385 62.100 -0.119 0.000 1.109 625 T CB -0.015 68.721 68.868 -0.221 0.000 0.921 625 T HN 0.338 nan 8.240 nan 0.000 0.488 626 S N -0.684 114.981 115.700 -0.058 0.000 2.570 626 S HA 0.429 4.900 4.470 0.001 0.000 0.270 626 S C 0.450 175.021 174.600 -0.048 0.000 1.149 626 S CA -0.963 57.225 58.200 -0.019 0.000 0.837 626 S CB 1.522 64.753 63.200 0.052 0.000 1.124 626 S HN 0.252 nan 8.310 nan 0.000 0.465 627 R N 1.172 121.577 120.500 -0.158 0.000 2.120 627 R HA -0.019 4.321 4.340 0.001 0.000 0.234 627 R C 0.896 176.981 176.300 -0.359 0.000 1.123 627 R CA 1.673 57.564 56.100 -0.348 0.000 0.975 627 R CB -0.367 29.550 30.300 -0.638 0.000 0.866 627 R HN 0.639 nan 8.270 nan 0.000 0.446 628 F N 1.025 120.994 119.950 0.033 0.000 2.776 628 F HA 0.263 4.791 4.527 0.001 0.000 0.300 628 F C 1.181 177.031 175.800 0.083 0.000 1.116 628 F CA -0.440 57.590 58.000 0.049 0.000 1.375 628 F CB 0.108 39.133 39.000 0.041 0.000 1.109 628 F HN -0.087 nan 8.300 nan 0.000 0.585 629 A N 1.974 124.927 122.820 0.223 0.000 2.484 629 A HA 0.317 4.638 4.320 0.001 0.000 0.268 629 A C 0.472 178.212 177.584 0.260 0.000 1.114 629 A CA -0.001 52.197 52.037 0.269 0.000 0.780 629 A CB -0.190 18.920 19.000 0.183 0.000 1.061 629 A HN 0.406 nan 8.150 nan 0.000 0.505 630 R N 3.642 124.303 120.500 0.269 0.000 2.576 630 R HA 0.309 4.650 4.340 0.001 0.000 0.283 630 R C -1.422 174.953 176.300 0.126 0.000 1.493 630 R CA -0.705 55.502 56.100 0.178 0.000 1.170 630 R CB 0.536 30.919 30.300 0.137 0.000 1.189 630 R HN 0.678 nan 8.270 nan 0.000 0.542 631 L N 3.635 124.890 121.223 0.054 0.000 2.462 631 L HA 0.110 4.451 4.340 0.001 0.000 0.272 631 L C -0.051 176.865 176.870 0.077 0.000 1.166 631 L CA 0.863 55.614 54.840 -0.149 0.000 0.880 631 L CB 0.883 42.707 42.059 -0.391 0.000 1.142 631 L HN 0.594 nan 8.230 nan 0.000 0.473 632 Q N 3.369 123.214 119.800 0.075 0.000 2.222 632 Q HA 0.247 4.587 4.340 0.001 0.000 0.211 632 Q C -0.330 175.782 176.000 0.187 0.000 1.013 632 Q CA -0.788 55.092 55.803 0.129 0.000 0.993 632 Q CB 0.579 29.345 28.738 0.046 0.000 1.151 632 Q HN 0.482 nan 8.270 nan 0.000 0.544 633 K N 1.050 121.434 120.400 -0.026 0.000 2.489 633 K HA 0.007 4.327 4.320 0.001 0.000 0.278 633 K C -0.750 175.803 176.600 -0.077 0.000 1.000 633 K CA -0.002 56.127 56.287 -0.264 0.000 1.012 633 K CB 0.184 32.505 32.500 -0.299 0.000 0.903 633 K HN 0.393 nan 8.250 nan 0.000 0.485 634 L N 3.634 124.819 121.223 -0.064 0.000 2.426 634 L HA 0.106 4.447 4.340 0.001 0.000 0.271 634 L C 0.184 177.047 176.870 -0.013 0.000 1.169 634 L CA -0.222 54.593 54.840 -0.041 0.000 0.836 634 L CB 0.439 42.461 42.059 -0.062 0.000 1.112 634 L HN 0.658 nan 8.230 nan 0.000 0.465 635 H N 1.428 120.468 119.070 -0.050 0.000 2.551 635 H HA 0.400 4.956 4.556 0.001 0.000 0.321 635 H C -0.650 174.734 175.328 0.095 0.000 1.028 635 H CA -0.539 55.525 56.048 0.026 0.000 1.215 635 H CB 1.071 30.864 29.762 0.052 0.000 1.414 635 H HN 0.641 nan 8.280 nan 0.000 0.480 636 T N 1.876 116.290 114.554 -0.234 0.000 2.863 636 T HA 0.668 5.018 4.350 0.001 0.000 0.285 636 T C -0.623 173.974 174.700 -0.173 0.000 1.009 636 T CA -1.027 61.000 62.100 -0.123 0.000 0.989 636 T CB 1.608 70.411 68.868 -0.108 0.000 1.004 636 T HN 0.448 nan 8.240 nan 0.000 0.455 637 S N 1.935 117.563 115.700 -0.120 0.000 2.614 637 S HA 0.527 4.998 4.470 0.001 0.000 0.288 637 S C -0.509 174.074 174.600 -0.028 0.000 1.137 637 S CA -0.724 57.420 58.200 -0.094 0.000 0.992 637 S CB 0.834 63.976 63.200 -0.096 0.000 1.026 637 S HN 0.751 nan 8.310 nan 0.000 0.486 638 I N 2.580 123.144 120.570 -0.010 0.000 2.440 638 I HA 0.560 4.731 4.170 0.001 0.000 0.294 638 I C 0.245 176.398 176.117 0.060 0.000 0.995 638 I CA -0.210 61.102 61.300 0.020 0.000 1.306 638 I CB 1.261 39.253 38.000 -0.013 0.000 1.407 638 I HN 0.739 nan 8.210 nan 0.000 0.501 639 A N 5.204 128.090 122.820 0.109 0.000 2.763 639 A HA 0.652 4.972 4.320 0.001 0.000 0.325 639 A C 0.405 178.028 177.584 0.065 0.000 1.209 639 A CA 0.107 52.206 52.037 0.105 0.000 0.764 639 A CB 0.187 19.308 19.000 0.202 0.000 1.120 639 A HN 1.064 nan 8.150 nan 0.000 0.463 640 G N 2.926 111.744 108.800 0.030 0.000 2.596 640 G HA2 -0.401 3.559 3.960 0.001 0.000 0.304 640 G HA3 -0.401 3.559 3.960 0.001 0.000 0.304 640 G C 1.169 176.066 174.900 -0.004 0.000 1.189 640 G CA 0.941 46.048 45.100 0.013 0.000 0.986 640 G HN 1.552 nan 8.290 nan 0.000 0.548 641 R N 1.307 121.800 120.500 -0.011 0.000 2.299 641 R HA 0.149 4.489 4.340 0.001 0.000 0.197 641 R C 0.262 176.524 176.300 -0.062 0.000 0.971 641 R CA 0.676 56.757 56.100 -0.033 0.000 1.030 641 R CB -0.272 30.012 30.300 -0.025 0.000 0.932 641 R HN 0.383 nan 8.270 nan 0.000 0.477 642 N N 1.429 120.093 118.700 -0.060 0.000 2.529 642 N HA 0.198 4.939 4.740 0.001 0.000 0.278 642 N C -1.247 174.158 175.510 -0.174 0.000 1.146 642 N CA -0.399 52.560 53.050 -0.152 0.000 0.980 642 N CB 1.449 39.856 38.487 -0.134 0.000 1.124 642 N HN 0.088 nan 8.380 nan 0.000 0.458 643 L N 2.650 123.691 121.223 -0.303 0.000 2.381 643 L HA 0.446 4.787 4.340 0.001 0.000 0.274 643 L C -1.765 174.863 176.870 -0.404 0.000 0.988 643 L CA -0.690 54.006 54.840 -0.240 0.000 0.824 643 L CB 0.784 42.745 42.059 -0.162 0.000 1.263 643 L HN 0.421 nan 8.230 nan 0.000 0.410 644 Y N 5.768 125.929 120.300 -0.231 0.000 2.335 644 Y HA 0.614 5.165 4.550 0.001 0.000 0.339 644 Y C -0.145 175.620 175.900 -0.226 0.000 0.987 644 Y CA -0.441 57.465 58.100 -0.324 0.000 1.140 644 Y CB 1.221 39.198 38.460 -0.805 0.000 1.173 644 Y HN 0.396 nan 8.280 nan 0.000 0.486 645 I N 4.118 124.743 120.570 0.091 0.000 2.389 645 I HA 0.410 4.580 4.170 0.001 0.000 0.288 645 I C -0.183 176.054 176.117 0.199 0.000 0.999 645 I CA -0.812 60.524 61.300 0.060 0.000 1.129 645 I CB 1.578 39.534 38.000 -0.075 0.000 1.288 645 I HN 0.450 nan 8.210 nan 0.000 0.444 646 R N 6.195 126.833 120.500 0.229 0.000 2.230 646 R HA 0.424 4.765 4.340 0.001 0.000 0.337 646 R C -1.289 175.036 176.300 0.042 0.000 1.063 646 R CA -0.515 55.738 56.100 0.254 0.000 0.935 646 R CB 0.418 30.878 30.300 0.268 0.000 1.121 646 R HN 0.372 nan 8.270 nan 0.000 0.486 647 F N 2.539 122.581 119.950 0.153 0.000 2.427 647 F HA 0.216 4.744 4.527 0.001 0.000 0.352 647 F C 0.630 176.442 175.800 0.019 0.000 1.100 647 F CA 0.144 58.173 58.000 0.048 0.000 1.191 647 F CB 1.326 40.394 39.000 0.113 0.000 1.128 647 F HN 0.374 nan 8.300 nan 0.000 0.533 648 Q N 2.549 122.397 119.800 0.081 0.000 2.323 648 Q HA 0.620 4.960 4.340 0.001 0.000 0.271 648 Q C -1.320 174.687 176.000 0.012 0.000 1.048 648 Q CA -0.554 55.288 55.803 0.065 0.000 0.792 648 Q CB 2.093 30.856 28.738 0.042 0.000 1.280 648 Q HN 0.696 nan 8.270 nan 0.000 0.441 649 S N 2.626 118.382 115.700 0.092 0.000 2.547 649 S HA 0.516 4.986 4.470 0.001 0.000 0.270 649 S C -1.241 173.446 174.600 0.144 0.000 1.150 649 S CA -0.734 57.543 58.200 0.128 0.000 0.850 649 S CB 1.320 64.674 63.200 0.257 0.000 1.118 649 S HN 0.730 nan 8.310 nan 0.000 0.461 650 R N 1.085 121.664 120.500 0.131 0.000 2.784 650 R HA 0.337 4.678 4.340 0.001 0.000 0.266 650 R C 0.328 176.712 176.300 0.141 0.000 1.044 650 R CA 0.619 56.787 56.100 0.113 0.000 1.151 650 R CB 0.452 30.816 30.300 0.106 0.000 1.037 650 R HN 0.755 nan 8.270 nan 0.000 0.478 651 S N -0.465 115.278 115.700 0.073 0.000 2.941 651 S HA 0.248 4.718 4.470 0.001 0.000 0.248 651 S C 0.716 175.200 174.600 -0.193 0.000 0.962 651 S CA -0.252 57.966 58.200 0.030 0.000 1.092 651 S CB 0.723 63.938 63.200 0.024 0.000 1.113 651 S HN 1.076 nan 8.310 nan 0.000 0.512 652 G N 3.020 111.671 108.800 -0.249 0.000 2.611 652 G HA2 -0.335 3.626 3.960 0.001 0.000 0.301 652 G HA3 -0.335 3.626 3.960 0.001 0.000 0.301 652 G C 0.143 174.840 174.900 -0.338 0.000 1.233 652 G CA 0.843 45.598 45.100 -0.576 0.000 0.993 652 G HN 0.490 nan 8.290 nan 0.000 0.553 653 D N 1.947 122.116 120.400 -0.384 0.000 2.349 653 D HA 0.417 5.057 4.640 0.001 0.000 0.214 653 D C 1.326 177.518 176.300 -0.180 0.000 1.063 653 D CA 0.784 54.656 54.000 -0.214 0.000 0.847 653 D CB 0.212 40.910 40.800 -0.169 0.000 0.933 653 D HN 0.730 nan 8.370 nan 0.000 0.513 654 A N 1.058 123.752 122.820 -0.209 0.000 2.322 654 A HA 0.194 4.514 4.320 0.001 0.000 0.269 654 A C 1.351 178.879 177.584 -0.093 0.000 1.094 654 A CA -0.391 51.564 52.037 -0.136 0.000 0.807 654 A CB 1.021 19.946 19.000 -0.125 0.000 1.047 654 A HN -0.003 nan 8.150 nan 0.000 0.487 655 M N 1.341 120.898 119.600 -0.072 0.000 2.108 655 M HA -0.055 4.425 4.480 0.001 0.000 0.261 655 M C 1.356 177.647 176.300 -0.015 0.000 1.066 655 M CA 2.700 57.972 55.300 -0.047 0.000 1.107 655 M CB -0.797 31.773 32.600 -0.050 0.000 1.356 655 M HN 1.680 nan 8.290 nan 0.000 0.406 656 G N -0.890 107.903 108.800 -0.011 0.000 2.179 656 G HA2 -0.233 3.728 3.960 0.001 0.000 0.220 656 G HA3 -0.233 3.728 3.960 0.001 0.000 0.220 656 G C 0.877 175.800 174.900 0.038 0.000 0.990 656 G CA 0.551 45.661 45.100 0.017 0.000 0.646 656 G HN 0.385 nan 8.290 nan 0.000 0.517 657 M N 0.550 120.169 119.600 0.031 0.000 2.082 657 M HA -0.087 4.394 4.480 0.001 0.000 0.258 657 M C 2.383 178.701 176.300 0.031 0.000 1.069 657 M CA 1.971 57.295 55.300 0.041 0.000 1.102 657 M CB -0.901 31.720 32.600 0.036 0.000 1.336 657 M HN 0.372 nan 8.290 nan 0.000 0.404 658 N N -0.115 118.593 118.700 0.015 0.000 2.142 658 N HA -0.139 4.601 4.740 0.001 0.000 0.186 658 N C 1.742 177.244 175.510 -0.013 0.000 1.023 658 N CA 1.138 54.189 53.050 0.001 0.000 0.852 658 N CB -0.357 38.129 38.487 -0.001 0.000 0.998 658 N HN 0.409 nan 8.380 nan 0.000 0.424 659 M N 0.594 120.192 119.600 -0.002 0.000 2.086 659 M HA -0.117 4.363 4.480 0.001 0.000 0.261 659 M C 1.577 177.844 176.300 -0.056 0.000 1.067 659 M CA 1.346 56.637 55.300 -0.015 0.000 1.116 659 M CB 0.039 32.659 32.600 0.033 0.000 1.348 659 M HN -0.027 nan 8.290 nan 0.000 0.407 660 I N -0.146 120.442 120.570 0.031 0.000 2.286 660 I HA -0.209 3.961 4.170 0.001 0.000 0.248 660 I C 2.383 178.505 176.117 0.008 0.000 1.115 660 I CA 1.238 62.607 61.300 0.116 0.000 1.392 660 I CB -1.605 36.533 38.000 0.230 0.000 1.065 660 I HN 0.291 nan 8.210 nan 0.000 0.418 661 S N 0.563 116.259 115.700 -0.007 0.000 2.368 661 S HA -0.199 4.271 4.470 0.001 0.000 0.225 661 S C 2.023 176.555 174.600 -0.113 0.000 1.030 661 S CA 1.275 59.454 58.200 -0.034 0.000 0.999 661 S CB -0.168 63.028 63.200 -0.006 0.000 0.844 661 S HN 0.407 nan 8.310 nan 0.000 0.459 662 K N 1.005 121.321 120.400 -0.139 0.000 2.057 662 K HA -0.081 4.239 4.320 0.001 0.000 0.207 662 K C 2.240 178.658 176.600 -0.303 0.000 1.049 662 K CA 1.307 57.490 56.287 -0.174 0.000 0.931 662 K CB -0.558 31.859 32.500 -0.138 0.000 0.714 662 K HN 0.370 nan 8.250 nan 0.000 0.440 663 G N -0.164 108.317 108.800 -0.532 0.000 2.422 663 G HA2 -0.211 3.750 3.960 0.001 0.000 0.218 663 G HA3 -0.211 3.750 3.960 0.001 0.000 0.218 663 G C 1.387 175.847 174.900 -0.734 0.000 1.146 663 G CA 1.295 45.764 45.100 -1.050 0.000 0.769 663 G HN 0.328 nan 8.290 nan 0.000 0.547 664 T N 0.923 115.196 114.554 -0.468 0.000 2.708 664 T HA -0.084 4.266 4.350 0.001 0.000 0.266 664 T C 2.166 176.664 174.700 -0.337 0.000 1.037 664 T CA 1.532 63.322 62.100 -0.516 0.000 1.146 664 T CB -0.204 68.456 68.868 -0.347 0.000 0.865 664 T HN 0.464 nan 8.240 nan 0.000 0.435 665 E N 0.576 120.651 120.200 -0.208 0.000 2.085 665 E HA -0.184 4.166 4.350 0.001 0.000 0.194 665 E C 2.299 178.844 176.600 -0.092 0.000 0.994 665 E CA 1.141 57.468 56.400 -0.120 0.000 0.801 665 E CB -0.101 29.541 29.700 -0.096 0.000 0.743 665 E HN 0.192 nan 8.360 nan 0.000 0.453 666 K N 0.768 121.097 120.400 -0.118 0.000 2.097 666 K HA -0.055 4.265 4.320 0.001 0.000 0.205 666 K C 1.794 178.399 176.600 0.008 0.000 1.050 666 K CA 1.209 57.460 56.287 -0.060 0.000 0.938 666 K CB -0.239 32.206 32.500 -0.091 0.000 0.718 666 K HN 0.109 nan 8.250 nan 0.000 0.442 667 A N 0.364 123.185 122.820 0.001 0.000 1.898 667 A HA -0.061 4.259 4.320 0.001 0.000 0.216 667 A C 2.114 179.813 177.584 0.192 0.000 1.181 667 A CA 1.306 53.430 52.037 0.145 0.000 0.620 667 A CB -0.582 18.550 19.000 0.220 0.000 0.819 667 A HN 0.287 nan 8.150 nan 0.000 0.442 668 L N -0.825 120.463 121.223 0.107 0.000 2.093 668 L HA -0.115 4.225 4.340 0.001 0.000 0.208 668 L C 2.865 179.822 176.870 0.146 0.000 1.085 668 L CA 1.317 56.249 54.840 0.154 0.000 0.755 668 L CB -0.394 41.718 42.059 0.088 0.000 0.904 668 L HN 0.486 nan 8.230 nan 0.000 0.435 669 S N 0.133 115.891 115.700 0.096 0.000 2.368 669 S HA -0.225 4.246 4.470 0.001 0.000 0.225 669 S C 2.055 176.753 174.600 0.163 0.000 1.030 669 S CA 1.645 59.909 58.200 0.106 0.000 0.999 669 S CB -0.010 63.221 63.200 0.051 0.000 0.844 669 S HN 0.215 nan 8.310 nan 0.000 0.459 670 K N 1.006 121.509 120.400 0.172 0.000 2.057 670 K HA 0.072 4.392 4.320 0.001 0.000 0.206 670 K C 1.924 178.705 176.600 0.303 0.000 1.050 670 K CA 1.131 57.551 56.287 0.223 0.000 0.935 670 K CB -0.865 31.778 32.500 0.238 0.000 0.715 670 K HN 0.368 nan 8.250 nan 0.000 0.439 671 L N 0.778 122.174 121.223 0.290 0.000 2.083 671 L HA -0.145 4.196 4.340 0.001 0.000 0.209 671 L C 2.254 179.279 176.870 0.259 0.000 1.083 671 L CA 1.945 56.945 54.840 0.268 0.000 0.752 671 L CB -0.736 41.483 42.059 0.267 0.000 0.899 671 L HN 0.483 nan 8.230 nan 0.000 0.433 672 H N -0.582 118.566 119.070 0.131 0.000 2.491 672 H HA -0.120 4.437 4.556 0.001 0.000 0.290 672 H C 1.766 177.108 175.328 0.022 0.000 1.050 672 H CA 1.458 57.556 56.048 0.083 0.000 1.309 672 H CB 0.445 30.238 29.762 0.052 0.000 1.392 672 H HN 0.555 nan 8.280 nan 0.000 0.554 673 E N -0.331 119.852 120.200 -0.028 0.000 2.106 673 E HA -0.177 4.174 4.350 0.001 0.000 0.192 673 E C 1.564 177.929 176.600 -0.391 0.000 0.984 673 E CA 1.075 57.347 56.400 -0.213 0.000 0.806 673 E CB 0.003 29.587 29.700 -0.193 0.000 0.750 673 E HN 0.575 nan 8.360 nan 0.000 0.458 674 Y N -1.073 119.023 120.300 -0.339 0.000 2.365 674 Y HA 0.036 4.586 4.550 0.001 0.000 0.293 674 Y C 0.520 175.845 175.900 -0.958 0.000 1.119 674 Y CA 0.456 58.151 58.100 -0.675 0.000 1.203 674 Y CB 0.462 38.328 38.460 -0.991 0.000 1.026 674 Y HN -0.104 nan 8.280 nan 0.000 0.549 675 F N 1.082 120.914 119.950 -0.197 0.000 2.564 675 F HA 0.345 4.872 4.527 0.001 0.000 0.361 675 F C -1.921 173.730 175.800 -0.248 0.000 1.161 675 F CA -2.495 55.389 58.000 -0.192 0.000 1.198 675 F CB 1.107 40.008 39.000 -0.164 0.000 1.424 675 F HN -0.159 nan 8.300 nan 0.000 0.517 676 P HA -0.132 nan 4.420 nan 0.000 0.226 676 P C 0.635 177.869 177.300 -0.111 0.000 1.153 676 P CA 1.301 64.147 63.100 -0.424 0.000 0.777 676 P CB 0.351 31.882 31.700 -0.281 0.000 0.794 677 E N -0.993 119.217 120.200 0.015 0.000 2.489 677 E HA 0.077 4.427 4.350 0.001 0.000 0.193 677 E C 1.012 177.677 176.600 0.107 0.000 1.057 677 E CA -0.243 56.199 56.400 0.069 0.000 0.866 677 E CB -0.126 29.604 29.700 0.050 0.000 0.916 677 E HN 0.285 nan 8.360 nan 0.000 0.500 678 M N 2.080 121.780 119.600 0.166 0.000 2.219 678 M HA 0.004 4.484 4.480 0.001 0.000 0.353 678 M C -0.323 176.069 176.300 0.153 0.000 1.304 678 M CA 0.312 55.702 55.300 0.150 0.000 1.115 678 M CB 0.687 33.389 32.600 0.170 0.000 1.664 678 M HN -0.127 nan 8.290 nan 0.000 0.459 679 Q N 5.596 125.423 119.800 0.046 0.000 2.325 679 Q HA 0.400 4.740 4.340 0.001 0.000 0.262 679 Q C -1.389 174.591 176.000 -0.033 0.000 0.968 679 Q CA -0.556 55.244 55.803 -0.005 0.000 0.877 679 Q CB 1.023 29.755 28.738 -0.010 0.000 1.253 679 Q HN 0.799 nan 8.270 nan 0.000 0.448 680 I N 5.663 126.197 120.570 -0.059 0.000 2.329 680 I HA -0.042 4.129 4.170 0.001 0.000 0.295 680 I C 0.897 176.989 176.117 -0.042 0.000 1.109 680 I CA -0.189 61.083 61.300 -0.047 0.000 1.297 680 I CB 0.577 38.544 38.000 -0.055 0.000 1.433 680 I HN 0.696 nan 8.210 nan 0.000 0.509 681 L N 6.837 128.035 121.223 -0.041 0.000 2.095 681 L HA 0.275 4.615 4.340 0.001 0.000 0.204 681 L C 0.867 177.730 176.870 -0.011 0.000 1.080 681 L CA 1.214 56.036 54.840 -0.031 0.000 0.759 681 L CB 0.014 42.048 42.059 -0.042 0.000 0.914 681 L HN 0.701 nan 8.230 nan 0.000 0.439 682 A N -2.410 120.409 122.820 -0.001 0.000 2.540 682 A HA 0.413 4.733 4.320 0.001 0.000 0.297 682 A C 0.262 177.870 177.584 0.042 0.000 1.056 682 A CA 0.041 52.092 52.037 0.023 0.000 0.700 682 A CB 0.676 19.701 19.000 0.042 0.000 1.280 682 A HN -0.140 nan 8.150 nan 0.000 0.398 683 V N 1.528 121.466 119.914 0.040 0.000 2.720 683 V HA 0.018 4.138 4.120 0.001 0.000 0.256 683 V C 1.008 177.159 176.094 0.096 0.000 1.082 683 V CA 2.614 64.946 62.300 0.053 0.000 1.101 683 V CB 0.159 31.995 31.823 0.022 0.000 0.693 683 V HN 1.097 nan 8.190 nan 0.000 0.479 684 S N -0.520 115.238 115.700 0.097 0.000 2.640 684 S HA 0.610 5.081 4.470 0.001 0.000 0.320 684 S C 0.507 175.197 174.600 0.149 0.000 1.097 684 S CA -0.029 58.251 58.200 0.133 0.000 1.092 684 S CB 1.238 64.503 63.200 0.108 0.000 0.988 684 S HN 0.453 nan 8.310 nan 0.000 0.470 685 G N 3.110 112.040 108.800 0.216 0.000 3.609 685 G HA2 0.201 4.162 3.960 0.001 0.000 0.280 685 G HA3 0.201 4.162 3.960 0.001 0.000 0.280 685 G C 0.389 175.474 174.900 0.309 0.000 1.155 685 G CA -0.596 44.669 45.100 0.275 0.000 0.876 685 G HN 0.811 nan 8.290 nan 0.000 0.535 686 N N -1.481 117.355 118.700 0.227 0.000 2.753 686 N HA -0.233 4.507 4.740 0.001 0.000 0.251 686 N C 0.320 175.961 175.510 0.220 0.000 1.097 686 N CA 0.782 53.939 53.050 0.180 0.000 0.786 686 N CB -1.564 37.001 38.487 0.129 0.000 1.137 686 N HN 0.532 nan 8.380 nan 0.000 0.566 687 Y N -0.364 120.015 120.300 0.131 0.000 2.457 687 Y HA 0.218 4.769 4.550 0.001 0.000 0.263 687 Y C 1.760 177.726 175.900 0.110 0.000 1.164 687 Y CA -0.019 58.149 58.100 0.112 0.000 1.274 687 Y CB 0.068 38.650 38.460 0.203 0.000 1.097 687 Y HN 0.362 nan 8.280 nan 0.000 0.523 688 C N -0.830 118.543 119.300 0.120 0.000 2.442 688 C HA -0.064 4.397 4.460 0.001 0.000 0.279 688 C C 1.172 176.148 174.990 -0.023 0.000 1.237 688 C CA 1.043 60.104 59.018 0.072 0.000 1.722 688 C CB -1.220 26.585 27.740 0.108 0.000 2.056 688 C HN 0.312 nan 8.230 nan 0.000 0.469 689 T N 0.898 115.438 114.554 -0.024 0.000 2.794 689 T HA 0.381 4.732 4.350 0.001 0.000 0.280 689 T C -1.013 173.709 174.700 0.037 0.000 0.987 689 T CA 0.093 62.204 62.100 0.019 0.000 0.993 689 T CB 1.364 70.233 68.868 0.001 0.000 0.939 689 T HN 0.304 nan 8.240 nan 0.000 0.449 690 D N 2.116 122.549 120.400 0.054 0.000 2.280 690 D HA 0.313 4.954 4.640 0.001 0.000 0.236 690 D C 0.126 176.454 176.300 0.046 0.000 1.082 690 D CA -0.413 53.619 54.000 0.054 0.000 0.834 690 D CB 0.406 41.243 40.800 0.062 0.000 1.100 690 D HN 0.505 nan 8.370 nan 0.000 0.486 691 K N 0.804 121.229 120.400 0.042 0.000 3.281 691 K HA -0.230 4.091 4.320 0.001 0.000 0.295 691 K C -0.584 176.031 176.600 0.024 0.000 1.233 691 K CA 0.772 57.079 56.287 0.035 0.000 0.866 691 K CB -0.942 31.581 32.500 0.037 0.000 1.265 691 K HN 0.327 nan 8.250 nan 0.000 0.482 692 K N 0.159 120.572 120.400 0.022 0.000 2.426 692 K HA 0.377 4.697 4.320 0.001 0.000 0.251 692 K C -2.713 173.890 176.600 0.005 0.000 0.941 692 K CA -2.072 54.223 56.287 0.013 0.000 0.808 692 K CB 1.420 33.931 32.500 0.019 0.000 1.265 692 K HN -0.229 nan 8.250 nan 0.000 0.432 693 P HA 0.248 nan 4.420 nan 0.000 0.271 693 P C -1.396 175.898 177.300 -0.011 0.000 1.220 693 P CA -0.365 62.724 63.100 -0.018 0.000 0.768 693 P CB 1.011 32.687 31.700 -0.040 0.000 0.848 694 A N 2.432 125.250 122.820 -0.002 0.000 2.513 694 A HA 0.556 4.877 4.320 0.001 0.000 0.296 694 A C 0.915 178.516 177.584 0.028 0.000 1.052 694 A CA -0.129 51.908 52.037 0.000 0.000 0.714 694 A CB 1.173 20.165 19.000 -0.013 0.000 1.279 694 A HN 0.395 nan 8.150 nan 0.000 0.397 695 A N 1.972 124.811 122.820 0.033 0.000 1.978 695 A HA -0.090 4.231 4.320 0.001 0.000 0.220 695 A C 1.794 179.435 177.584 0.095 0.000 1.170 695 A CA 1.870 53.965 52.037 0.097 0.000 0.636 695 A CB -0.610 18.437 19.000 0.078 0.000 0.810 695 A HN 1.281 nan 8.150 nan 0.000 0.448 696 I N -0.149 120.411 120.570 -0.016 0.000 2.264 696 I HA -0.290 3.881 4.170 0.001 0.000 0.248 696 I C 1.878 177.940 176.117 -0.092 0.000 1.111 696 I CA 1.677 62.903 61.300 -0.123 0.000 1.382 696 I CB -0.169 37.647 38.000 -0.307 0.000 1.060 696 I HN 0.292 nan 8.210 nan 0.000 0.418 697 N N 0.355 119.043 118.700 -0.021 0.000 2.188 697 N HA -0.246 4.495 4.740 0.001 0.000 0.184 697 N C 1.470 177.033 175.510 0.089 0.000 1.018 697 N CA 1.424 54.484 53.050 0.017 0.000 0.858 697 N CB -0.612 37.903 38.487 0.046 0.000 0.989 697 N HN 0.625 nan 8.380 nan 0.000 0.426 698 W N 1.374 122.643 121.300 -0.051 0.000 2.381 698 W HA -0.045 4.616 4.660 0.001 0.000 0.301 698 W C 1.401 177.897 176.519 -0.039 0.000 1.205 698 W CA 0.788 58.116 57.345 -0.027 0.000 1.285 698 W CB -0.066 29.392 29.460 -0.002 0.000 1.133 698 W HN -0.009 nan 8.180 nan 0.000 0.521 699 I N 0.343 120.884 120.570 -0.048 0.000 2.494 699 I HA -0.167 4.003 4.170 0.001 0.000 0.250 699 I C 2.200 178.210 176.117 -0.178 0.000 1.112 699 I CA 0.954 62.159 61.300 -0.159 0.000 1.438 699 I CB -0.423 37.553 38.000 -0.040 0.000 1.111 699 I HN -0.241 nan 8.210 nan 0.000 0.431 700 E N 0.984 121.088 120.200 -0.159 0.000 2.340 700 E HA 0.205 4.555 4.350 0.001 0.000 0.194 700 E C 0.965 177.483 176.600 -0.136 0.000 0.996 700 E CA 0.623 56.921 56.400 -0.171 0.000 0.869 700 E CB 0.098 29.650 29.700 -0.246 0.000 0.835 700 E HN 0.391 nan 8.360 nan 0.000 0.493 701 G N 1.590 110.318 108.800 -0.120 0.000 2.733 701 G HA2 -0.233 3.727 3.960 0.001 0.000 0.686 701 G HA3 -0.233 3.727 3.960 0.001 0.000 0.686 701 G C -0.545 174.325 174.900 -0.051 0.000 1.373 701 G CA -0.138 44.912 45.100 -0.083 0.000 0.838 701 G HN 0.203 nan 8.290 nan 0.000 0.588 702 R N 0.764 121.252 120.500 -0.019 0.000 2.535 702 R HA 0.595 4.935 4.340 0.001 0.000 0.274 702 R C 1.018 177.329 176.300 0.019 0.000 1.090 702 R CA 0.781 56.883 56.100 0.003 0.000 0.930 702 R CB 1.119 31.426 30.300 0.012 0.000 1.223 702 R HN 2.785 nan 8.270 nan 0.000 0.441 703 G N 3.510 112.325 108.800 0.025 0.000 2.536 703 G HA2 -0.278 3.682 3.960 0.001 0.000 0.280 703 G HA3 -0.278 3.682 3.960 0.001 0.000 0.280 703 G C -1.116 173.792 174.900 0.014 0.000 1.152 703 G CA 0.028 45.144 45.100 0.026 0.000 0.970 703 G HN 0.489 nan 8.290 nan 0.000 0.549 704 K N 1.349 121.758 120.400 0.014 0.000 2.234 704 K HA 0.584 4.904 4.320 0.001 0.000 0.277 704 K C -0.557 176.041 176.600 -0.003 0.000 1.038 704 K CA -0.282 56.007 56.287 0.003 0.000 0.888 704 K CB 1.644 34.145 32.500 0.002 0.000 1.091 704 K HN 0.395 nan 8.250 nan 0.000 0.467 705 S N 1.875 117.563 115.700 -0.019 0.000 2.438 705 S HA 0.432 4.902 4.470 0.001 0.000 0.293 705 S C -0.071 174.509 174.600 -0.033 0.000 1.141 705 S CA -0.754 57.423 58.200 -0.037 0.000 1.080 705 S CB 0.890 64.052 63.200 -0.063 0.000 0.978 705 S HN 0.284 nan 8.310 nan 0.000 0.479 706 V N 3.385 123.281 119.914 -0.030 0.000 2.876 706 V HA 0.675 4.795 4.120 0.001 0.000 0.312 706 V C -0.511 175.568 176.094 -0.025 0.000 1.085 706 V CA -0.777 61.509 62.300 -0.024 0.000 0.945 706 V CB 2.077 33.890 31.823 -0.016 0.000 1.017 706 V HN 0.579 nan 8.190 nan 0.000 0.428 707 V N 3.146 123.048 119.914 -0.020 0.000 2.789 707 V HA 0.782 4.903 4.120 0.001 0.000 0.311 707 V C -0.971 175.118 176.094 -0.009 0.000 1.073 707 V CA -0.212 62.080 62.300 -0.014 0.000 0.921 707 V CB 1.841 33.658 31.823 -0.010 0.000 1.009 707 V HN 1.149 nan 8.190 nan 0.000 0.426 708 C N 5.869 125.160 119.300 -0.014 0.000 2.898 708 C HA 0.939 5.399 4.460 0.001 0.000 0.304 708 C C -0.909 174.052 174.990 -0.048 0.000 1.237 708 C CA -0.069 58.937 59.018 -0.021 0.000 1.529 708 C CB 1.513 29.237 27.740 -0.027 0.000 2.021 708 C HN 1.105 nan 8.230 nan 0.000 0.474 709 E N 3.079 123.246 120.200 -0.055 0.000 2.413 709 E HA 0.820 5.171 4.350 0.001 0.000 0.277 709 E C -1.349 175.184 176.600 -0.113 0.000 0.958 709 E CA -0.759 55.557 56.400 -0.140 0.000 0.779 709 E CB 1.920 31.582 29.700 -0.064 0.000 1.278 709 E HN 1.130 nan 8.360 nan 0.000 0.456 710 A N 0.922 123.622 122.820 -0.201 0.000 2.612 710 A HA 0.587 4.908 4.320 0.001 0.000 0.293 710 A C -1.615 175.914 177.584 -0.092 0.000 1.075 710 A CA -0.711 51.271 52.037 -0.092 0.000 0.680 710 A CB 1.934 20.898 19.000 -0.060 0.000 1.279 710 A HN 0.354 nan 8.150 nan 0.000 0.411 711 V N 2.549 122.474 119.914 0.018 0.000 2.409 711 V HA 0.432 4.552 4.120 0.001 0.000 0.291 711 V C -0.743 175.372 176.094 0.035 0.000 1.020 711 V CA -0.476 61.862 62.300 0.064 0.000 0.848 711 V CB 1.371 33.269 31.823 0.125 0.000 0.990 711 V HN 0.642 nan 8.190 nan 0.000 0.430 712 I N 6.607 127.194 120.570 0.027 0.000 2.321 712 I HA 0.417 4.587 4.170 0.001 0.000 0.291 712 I C -2.420 173.714 176.117 0.028 0.000 0.998 712 I CA -2.859 58.453 61.300 0.020 0.000 1.227 712 I CB 1.367 39.373 38.000 0.010 0.000 1.368 712 I HN 0.341 nan 8.210 nan 0.000 0.466 713 P HA 0.094 nan 4.420 nan 0.000 0.269 713 P C 0.724 178.037 177.300 0.020 0.000 1.209 713 P CA -0.014 63.100 63.100 0.023 0.000 0.776 713 P CB 0.874 32.586 31.700 0.019 0.000 0.876 714 A N 4.023 126.855 122.820 0.020 0.000 1.948 714 A HA -0.274 4.046 4.320 0.001 0.000 0.220 714 A C 2.093 179.685 177.584 0.014 0.000 1.177 714 A CA 1.908 53.956 52.037 0.017 0.000 0.636 714 A CB -1.152 17.858 19.000 0.016 0.000 0.815 714 A HN 0.592 nan 8.150 nan 0.000 0.449 715 K N -0.399 120.009 120.400 0.013 0.000 2.063 715 K HA -0.116 4.204 4.320 0.001 0.000 0.208 715 K C 1.786 178.392 176.600 0.010 0.000 1.048 715 K CA 1.745 58.038 56.287 0.010 0.000 0.928 715 K CB -0.252 32.254 32.500 0.010 0.000 0.713 715 K HN 0.290 nan 8.250 nan 0.000 0.442 716 V N 0.666 120.586 119.914 0.011 0.000 2.453 716 V HA -0.191 3.929 4.120 0.001 0.000 0.247 716 V C 2.307 178.408 176.094 0.010 0.000 1.048 716 V CA 1.313 63.619 62.300 0.011 0.000 1.049 716 V CB -0.104 31.726 31.823 0.012 0.000 0.672 716 V HN 0.135 nan 8.190 nan 0.000 0.457 717 V N 0.052 119.972 119.914 0.011 0.000 2.332 717 V HA -0.282 3.838 4.120 0.001 0.000 0.248 717 V C 2.546 178.645 176.094 0.009 0.000 1.055 717 V CA 2.402 64.708 62.300 0.011 0.000 1.038 717 V CB -0.802 31.029 31.823 0.013 0.000 0.651 717 V HN 0.463 nan 8.190 nan 0.000 0.450 718 R N -0.217 120.288 120.500 0.009 0.000 2.057 718 R HA -0.138 4.203 4.340 0.001 0.000 0.229 718 R C 2.373 178.676 176.300 0.006 0.000 1.136 718 R CA 1.825 57.929 56.100 0.007 0.000 0.952 718 R CB -0.070 30.234 30.300 0.007 0.000 0.848 718 R HN 0.619 nan 8.270 nan 0.000 0.430 719 E N -0.818 119.386 120.200 0.006 0.000 2.086 719 E HA -0.074 4.276 4.350 0.001 0.000 0.190 719 E C 1.916 178.520 176.600 0.006 0.000 0.975 719 E CA 0.977 57.380 56.400 0.006 0.000 0.813 719 E CB 0.350 30.054 29.700 0.006 0.000 0.768 719 E HN 0.121 nan 8.360 nan 0.000 0.457 720 V N 0.963 120.881 119.914 0.007 0.000 2.426 720 V HA -0.085 4.035 4.120 0.001 0.000 0.242 720 V C 1.957 178.055 176.094 0.006 0.000 1.036 720 V CA 1.060 63.365 62.300 0.007 0.000 1.044 720 V CB -0.096 31.732 31.823 0.009 0.000 0.688 720 V HN 0.210 nan 8.190 nan 0.000 0.462 721 L N -0.261 120.966 121.223 0.006 0.000 2.592 721 L HA 0.194 4.534 4.340 0.001 0.000 0.227 721 L C 0.713 177.584 176.870 0.003 0.000 1.127 721 L CA 0.033 54.876 54.840 0.005 0.000 0.884 721 L CB -0.112 41.951 42.059 0.006 0.000 1.065 721 L HN 0.246 nan 8.230 nan 0.000 0.457 722 K N 0.611 121.013 120.400 0.003 0.000 3.071 722 K HA -0.194 4.127 4.320 0.001 0.000 0.265 722 K C 0.198 176.799 176.600 0.001 0.000 1.060 722 K CA 1.034 57.322 56.287 0.002 0.000 0.767 722 K CB -2.258 30.242 32.500 -0.000 0.000 1.241 722 K HN 0.473 nan 8.250 nan 0.000 0.486 723 T N -1.552 113.004 114.554 0.003 0.000 2.626 723 T HA 0.573 4.924 4.350 0.001 0.000 0.299 723 T C -1.135 173.568 174.700 0.006 0.000 1.181 723 T CA 0.292 62.394 62.100 0.003 0.000 1.053 723 T CB 1.782 70.652 68.868 0.002 0.000 1.566 723 T HN 0.263 nan 8.240 nan 0.000 0.486 724 T N -1.078 113.481 114.554 0.007 0.000 2.924 724 T HA 0.486 4.836 4.350 0.001 0.000 0.291 724 T C 1.123 175.831 174.700 0.013 0.000 1.045 724 T CA -0.222 61.884 62.100 0.010 0.000 1.015 724 T CB 1.095 69.968 68.868 0.009 0.000 1.103 724 T HN 0.478 nan 8.240 nan 0.000 0.496 725 T N 0.560 115.124 114.554 0.017 0.000 2.720 725 T HA -0.130 4.221 4.350 0.001 0.000 0.268 725 T C 1.651 176.365 174.700 0.023 0.000 1.037 725 T CA 1.905 64.019 62.100 0.023 0.000 1.144 725 T CB -0.409 68.475 68.868 0.027 0.000 0.864 725 T HN 0.845 nan 8.240 nan 0.000 0.444 726 E N 0.700 120.911 120.200 0.019 0.000 2.085 726 E HA -0.152 4.198 4.350 0.001 0.000 0.194 726 E C 2.386 178.995 176.600 0.016 0.000 0.994 726 E CA 1.088 57.499 56.400 0.017 0.000 0.801 726 E CB -0.203 29.506 29.700 0.014 0.000 0.743 726 E HN 0.488 nan 8.360 nan 0.000 0.453 727 A N 0.861 123.688 122.820 0.013 0.000 1.898 727 A HA -0.168 4.152 4.320 0.001 0.000 0.216 727 A C 2.182 179.773 177.584 0.012 0.000 1.181 727 A CA 1.410 53.453 52.037 0.010 0.000 0.620 727 A CB -0.376 18.628 19.000 0.007 0.000 0.819 727 A HN 0.267 nan 8.150 nan 0.000 0.442 728 M N -0.427 119.182 119.600 0.014 0.000 2.080 728 M HA -0.114 4.367 4.480 0.001 0.000 0.260 728 M C 2.200 178.513 176.300 0.022 0.000 1.068 728 M CA 1.495 56.804 55.300 0.016 0.000 1.109 728 M CB -1.148 31.462 32.600 0.017 0.000 1.342 728 M HN 0.435 nan 8.290 nan 0.000 0.405 729 I N -0.370 120.216 120.570 0.026 0.000 2.226 729 I HA -0.269 3.902 4.170 0.001 0.000 0.245 729 I C 2.382 178.516 176.117 0.028 0.000 1.100 729 I CA 1.227 62.546 61.300 0.032 0.000 1.374 729 I CB -0.407 37.614 38.000 0.036 0.000 1.057 729 I HN 0.246 nan 8.210 nan 0.000 0.413 730 E N 0.631 120.844 120.200 0.022 0.000 2.077 730 E HA -0.152 4.198 4.350 0.001 0.000 0.193 730 E C 2.168 178.779 176.600 0.018 0.000 0.989 730 E CA 1.143 57.554 56.400 0.018 0.000 0.800 730 E CB -0.039 29.669 29.700 0.014 0.000 0.746 730 E HN 0.245 nan 8.360 nan 0.000 0.452 731 V N 0.893 120.816 119.914 0.015 0.000 2.358 731 V HA -0.226 3.895 4.120 0.001 0.000 0.246 731 V C 2.129 178.235 176.094 0.020 0.000 1.047 731 V CA 1.902 64.210 62.300 0.012 0.000 1.035 731 V CB -0.747 31.079 31.823 0.006 0.000 0.658 731 V HN 0.320 nan 8.190 nan 0.000 0.452 732 N N 0.296 119.012 118.700 0.027 0.000 2.120 732 N HA -0.131 4.610 4.740 0.001 0.000 0.188 732 N C 1.649 177.187 175.510 0.047 0.000 1.024 732 N CA 1.593 54.666 53.050 0.038 0.000 0.852 732 N CB -0.219 38.293 38.487 0.042 0.000 1.003 732 N HN 0.467 nan 8.380 nan 0.000 0.424 733 I N 0.276 120.871 120.570 0.042 0.000 2.142 733 I HA -0.238 3.933 4.170 0.001 0.000 0.240 733 I C 1.467 177.611 176.117 0.044 0.000 1.078 733 I CA 1.010 62.336 61.300 0.044 0.000 1.343 733 I CB -0.277 37.744 38.000 0.034 0.000 1.046 733 I HN 0.264 nan 8.210 nan 0.000 0.405 734 N N 0.294 119.013 118.700 0.032 0.000 2.446 734 N HA -0.094 4.646 4.740 0.001 0.000 0.179 734 N C 1.620 177.143 175.510 0.022 0.000 1.054 734 N CA 0.623 53.688 53.050 0.025 0.000 0.905 734 N CB 0.294 38.791 38.487 0.016 0.000 0.973 734 N HN 0.453 nan 8.380 nan 0.000 0.448 735 K N 0.886 121.300 120.400 0.023 0.000 2.214 735 K HA 0.113 4.434 4.320 0.001 0.000 0.210 735 K C 1.085 177.700 176.600 0.025 0.000 1.036 735 K CA 0.278 56.573 56.287 0.013 0.000 0.958 735 K CB 0.197 32.700 32.500 0.005 0.000 0.973 735 K HN -0.145 nan 8.250 nan 0.000 0.466 736 N N 0.970 119.700 118.700 0.050 0.000 2.396 736 N HA -0.020 4.721 4.740 0.001 0.000 0.180 736 N C 1.696 177.318 175.510 0.186 0.000 1.028 736 N CA 0.797 53.898 53.050 0.085 0.000 0.893 736 N CB 0.161 38.703 38.487 0.093 0.000 0.967 736 N HN 0.237 nan 8.380 nan 0.000 0.440 737 L N -0.892 120.431 121.223 0.167 0.000 2.416 737 L HA 0.132 4.473 4.340 0.001 0.000 0.188 737 L C 2.037 179.018 176.870 0.185 0.000 1.145 737 L CA 0.250 55.228 54.840 0.231 0.000 0.826 737 L CB -0.651 41.478 42.059 0.118 0.000 1.064 737 L HN -0.173 nan 8.230 nan 0.000 0.490 738 V N 0.731 120.704 119.914 0.099 0.000 2.295 738 V HA -0.181 3.939 4.120 0.001 0.000 0.246 738 V C 2.605 178.725 176.094 0.043 0.000 1.049 738 V CA 2.112 64.452 62.300 0.067 0.000 1.024 738 V CB -1.476 30.371 31.823 0.041 0.000 0.648 738 V HN 0.603 nan 8.190 nan 0.000 0.447 739 G N -0.299 108.516 108.800 0.025 0.000 2.459 739 G HA2 -0.254 3.706 3.960 0.001 0.000 0.217 739 G HA3 -0.254 3.706 3.960 0.001 0.000 0.217 739 G C 1.841 176.713 174.900 -0.046 0.000 1.183 739 G CA 1.234 46.328 45.100 -0.010 0.000 0.776 739 G HN 0.510 nan 8.290 nan 0.000 0.552 740 S N 1.042 116.696 115.700 -0.077 0.000 2.399 740 S HA -0.009 4.462 4.470 0.001 0.000 0.231 740 S C 2.744 177.227 174.600 -0.194 0.000 1.022 740 S CA 1.178 59.238 58.200 -0.233 0.000 0.983 740 S CB -0.336 62.565 63.200 -0.497 0.000 0.803 740 S HN 0.612 nan 8.310 nan 0.000 0.480 741 A N 1.888 124.706 122.820 -0.003 0.000 1.877 741 A HA -0.077 4.244 4.320 0.001 0.000 0.216 741 A C 2.071 179.656 177.584 0.002 0.000 1.186 741 A CA 1.428 53.502 52.037 0.063 0.000 0.620 741 A CB -0.510 18.568 19.000 0.130 0.000 0.822 741 A HN 0.364 nan 8.150 nan 0.000 0.443 742 M N -0.267 119.329 119.600 -0.008 0.000 2.213 742 M HA -0.032 4.449 4.480 0.001 0.000 0.263 742 M C 2.254 178.532 176.300 -0.037 0.000 1.062 742 M CA 1.292 56.582 55.300 -0.016 0.000 1.105 742 M CB -1.574 31.018 32.600 -0.013 0.000 1.385 742 M HN 0.471 nan 8.290 nan 0.000 0.417 743 A N -0.524 122.258 122.820 -0.063 0.000 2.206 743 A HA 0.382 4.702 4.320 0.001 0.000 0.211 743 A C 1.533 179.063 177.584 -0.089 0.000 1.158 743 A CA 0.873 52.862 52.037 -0.080 0.000 0.761 743 A CB -0.823 18.114 19.000 -0.104 0.000 0.801 743 A HN 0.645 nan 8.150 nan 0.000 0.473 744 G N -0.203 108.546 108.800 -0.086 0.000 2.289 744 G HA2 -0.158 3.802 3.960 0.001 0.000 0.280 744 G HA3 -0.158 3.802 3.960 0.001 0.000 0.280 744 G C 0.145 174.966 174.900 -0.133 0.000 1.089 744 G CA 0.528 45.580 45.100 -0.081 0.000 0.939 744 G HN 1.018 nan 8.290 nan 0.000 0.499 745 S N -0.463 115.105 115.700 -0.221 0.000 2.537 745 S HA 0.717 5.187 4.470 0.001 0.000 0.275 745 S C 0.517 174.916 174.600 -0.334 0.000 1.272 745 S CA -0.817 57.176 58.200 -0.345 0.000 1.050 745 S CB 0.355 63.214 63.200 -0.568 0.000 0.961 745 S HN 0.400 nan 8.310 nan 0.000 0.496 746 I N 4.398 124.778 120.570 -0.315 0.000 2.390 746 I HA 0.392 4.562 4.170 0.001 0.000 0.283 746 I C 1.294 177.057 176.117 -0.591 0.000 1.016 746 I CA 0.137 61.224 61.300 -0.355 0.000 1.151 746 I CB 0.174 38.048 38.000 -0.210 0.000 1.293 746 I HN 1.024 nan 8.210 nan 0.000 0.458 747 G N 4.896 113.089 108.800 -1.012 0.000 2.175 747 G HA2 -0.208 3.752 3.960 0.001 0.000 0.244 747 G HA3 -0.208 3.752 3.960 0.001 0.000 0.244 747 G C 0.808 175.313 174.900 -0.659 0.000 0.982 747 G CA -0.012 44.249 45.100 -1.397 0.000 0.641 747 G HN 0.912 nan 8.290 nan 0.000 0.527 748 G N -0.144 108.303 108.800 -0.590 0.000 4.084 748 G HA2 0.482 4.442 3.960 0.001 0.000 0.293 748 G HA3 0.482 4.442 3.960 0.001 0.000 0.293 748 G C 0.056 174.694 174.900 -0.437 0.000 1.303 748 G CA -0.452 44.403 45.100 -0.409 0.000 1.289 748 G HN 0.385 nan 8.290 nan 0.000 0.609 749 Y N 1.589 121.799 120.300 -0.150 0.000 2.880 749 Y HA 0.246 4.797 4.550 0.001 0.000 0.386 749 Y C 0.698 176.598 175.900 -0.000 0.000 1.172 749 Y CA -0.855 57.212 58.100 -0.055 0.000 1.770 749 Y CB -0.327 38.126 38.460 -0.012 0.000 1.809 749 Y HN 0.582 nan 8.280 nan 0.000 0.472 750 N N -2.015 116.717 118.700 0.053 0.000 2.934 750 N HA 0.646 5.386 4.740 0.001 0.000 0.253 750 N C 0.088 175.621 175.510 0.039 0.000 1.466 750 N CA -0.507 52.580 53.050 0.062 0.000 0.858 750 N CB 0.751 39.275 38.487 0.062 0.000 1.459 750 N HN -0.050 nan 8.380 nan 0.000 0.532 751 A N -0.220 122.645 122.820 0.076 0.000 1.850 751 A HA 0.064 4.384 4.320 0.001 0.000 0.212 751 A C 0.805 178.480 177.584 0.151 0.000 1.208 751 A CA 1.694 53.781 52.037 0.083 0.000 0.609 751 A CB -0.993 18.057 19.000 0.084 0.000 0.860 751 A HN 1.002 nan 8.150 nan 0.000 0.448 752 H N -4.868 114.185 119.070 -0.027 0.000 3.407 752 H HA 0.649 5.205 4.556 0.001 0.000 0.222 752 H C 0.750 176.056 175.328 -0.037 0.000 1.357 752 H CA 0.117 56.144 56.048 -0.035 0.000 1.145 752 H CB -0.199 29.544 29.762 -0.030 0.000 2.622 752 H HN 0.266 nan 8.280 nan 0.000 0.556 753 A N 1.316 124.079 122.820 -0.095 0.000 1.958 753 A HA -0.189 4.132 4.320 0.001 0.000 0.221 753 A C 2.589 180.069 177.584 -0.173 0.000 1.178 753 A CA 2.166 54.113 52.037 -0.149 0.000 0.642 753 A CB -0.971 17.990 19.000 -0.066 0.000 0.816 753 A HN 0.778 nan 8.150 nan 0.000 0.453 754 A N -0.070 122.675 122.820 -0.125 0.000 1.940 754 A HA -0.235 4.085 4.320 0.001 0.000 0.219 754 A C 1.956 179.459 177.584 -0.135 0.000 1.176 754 A CA 1.924 53.884 52.037 -0.128 0.000 0.631 754 A CB -0.644 18.305 19.000 -0.084 0.000 0.814 754 A HN 0.562 nan 8.150 nan 0.000 0.446 755 N N -0.165 118.457 118.700 -0.130 0.000 2.084 755 N HA -0.125 4.616 4.740 0.001 0.000 0.190 755 N C 1.489 176.914 175.510 -0.142 0.000 1.030 755 N CA 1.631 54.618 53.050 -0.105 0.000 0.849 755 N CB -0.411 38.058 38.487 -0.031 0.000 1.012 755 N HN 0.445 nan 8.380 nan 0.000 0.423 756 I N 0.234 120.669 120.570 -0.226 0.000 2.233 756 I HA -0.151 4.020 4.170 0.001 0.000 0.243 756 I C 2.229 178.266 176.117 -0.134 0.000 1.093 756 I CA 0.506 61.705 61.300 -0.168 0.000 1.380 756 I CB -0.531 37.352 38.000 -0.196 0.000 1.067 756 I HN -0.128 nan 8.210 nan 0.000 0.413 757 V N 0.305 120.101 119.914 -0.197 0.000 2.252 757 V HA -0.359 3.762 4.120 0.001 0.000 0.249 757 V C 2.486 178.377 176.094 -0.340 0.000 1.056 757 V CA 2.630 64.732 62.300 -0.330 0.000 1.022 757 V CB -1.253 30.296 31.823 -0.458 0.000 0.641 757 V HN 0.471 nan 8.190 nan 0.000 0.445 758 T N 0.314 114.728 114.554 -0.234 0.000 2.684 758 T HA -0.191 4.159 4.350 0.001 0.000 0.267 758 T C 2.043 176.743 174.700 -0.000 0.000 1.036 758 T CA 1.723 63.755 62.100 -0.112 0.000 1.148 758 T CB -0.509 68.313 68.868 -0.077 0.000 0.863 758 T HN 0.588 nan 8.240 nan 0.000 0.436 759 A N 1.076 123.889 122.820 -0.012 0.000 1.877 759 A HA -0.016 4.305 4.320 0.001 0.000 0.216 759 A C 2.312 179.930 177.584 0.056 0.000 1.186 759 A CA 1.260 53.309 52.037 0.020 0.000 0.620 759 A CB -0.771 18.230 19.000 0.002 0.000 0.822 759 A HN 0.530 nan 8.150 nan 0.000 0.443 760 I N -2.045 118.569 120.570 0.073 0.000 2.252 760 I HA -0.238 3.932 4.170 0.001 0.000 0.245 760 I C 2.382 178.616 176.117 0.195 0.000 1.102 760 I CA 1.183 62.553 61.300 0.117 0.000 1.385 760 I CB -0.445 37.627 38.000 0.120 0.000 1.064 760 I HN 0.322 nan 8.210 nan 0.000 0.414 761 Y N 1.006 121.295 120.300 -0.019 0.000 2.128 761 Y HA -0.218 4.332 4.550 0.001 0.000 0.284 761 Y C 2.455 178.352 175.900 -0.006 0.000 1.154 761 Y CA 1.265 59.356 58.100 -0.014 0.000 1.149 761 Y CB -0.702 37.751 38.460 -0.012 0.000 0.976 761 Y HN 0.087 nan 8.280 nan 0.000 0.505 762 I N -0.774 119.892 120.570 0.159 0.000 2.226 762 I HA -0.308 3.862 4.170 0.001 0.000 0.245 762 I C 2.537 178.688 176.117 0.056 0.000 1.100 762 I CA 1.232 62.585 61.300 0.087 0.000 1.374 762 I CB -0.661 37.381 38.000 0.070 0.000 1.057 762 I HN 0.130 nan 8.210 nan 0.000 0.413 763 A N -0.490 122.363 122.820 0.055 0.000 1.969 763 A HA -0.185 4.135 4.320 0.001 0.000 0.218 763 A C 2.042 179.637 177.584 0.017 0.000 1.169 763 A CA 1.458 53.516 52.037 0.035 0.000 0.635 763 A CB -0.819 18.203 19.000 0.035 0.000 0.810 763 A HN 0.578 nan 8.150 nan 0.000 0.445 764 C N -0.882 118.422 119.300 0.007 0.000 2.778 764 C HA 0.513 4.974 4.460 0.001 0.000 0.294 764 C C 1.693 176.648 174.990 -0.057 0.000 1.331 764 C CA -0.191 58.809 59.018 -0.029 0.000 1.741 764 C CB -1.105 26.607 27.740 -0.046 0.000 2.106 764 C HN 1.045 nan 8.230 nan 0.000 0.603 765 G N 1.555 110.334 108.800 -0.036 0.000 2.198 765 G HA2 -0.189 3.772 3.960 0.001 0.000 0.260 765 G HA3 -0.189 3.772 3.960 0.001 0.000 0.260 765 G C 0.010 174.861 174.900 -0.081 0.000 1.025 765 G CA 0.099 45.175 45.100 -0.039 0.000 0.769 765 G HN 0.529 nan 8.290 nan 0.000 0.507 766 Q N -0.049 119.670 119.800 -0.135 0.000 2.316 766 Q HA 0.335 4.676 4.340 0.001 0.000 0.215 766 Q C -0.003 175.950 176.000 -0.080 0.000 1.020 766 Q CA -0.596 55.060 55.803 -0.244 0.000 0.970 766 Q CB 0.570 28.870 28.738 -0.729 0.000 1.187 766 Q HN 0.319 nan 8.270 nan 0.000 0.546 767 D N 0.244 120.613 120.400 -0.052 0.000 2.374 767 D HA 0.211 4.851 4.640 0.001 0.000 0.240 767 D C 0.336 176.744 176.300 0.179 0.000 1.229 767 D CA -0.057 53.976 54.000 0.054 0.000 0.895 767 D CB 0.771 41.597 40.800 0.044 0.000 1.046 767 D HN 0.528 nan 8.370 nan 0.000 0.498 768 A N 3.718 126.637 122.820 0.165 0.000 2.070 768 A HA -0.048 4.272 4.320 0.001 0.000 0.220 768 A C 2.055 179.706 177.584 0.112 0.000 1.159 768 A CA 1.429 53.577 52.037 0.185 0.000 0.656 768 A CB -0.154 18.915 19.000 0.116 0.000 0.800 768 A HN 0.603 nan 8.150 nan 0.000 0.453 769 A N -0.749 122.124 122.820 0.089 0.000 2.067 769 A HA -0.141 4.179 4.320 0.001 0.000 0.219 769 A C 1.899 179.520 177.584 0.061 0.000 1.158 769 A CA 1.297 53.369 52.037 0.057 0.000 0.661 769 A CB -0.381 18.648 19.000 0.048 0.000 0.801 769 A HN 0.646 nan 8.150 nan 0.000 0.452 770 Q N 0.150 120.016 119.800 0.109 0.000 2.444 770 Q HA -0.087 4.253 4.340 0.001 0.000 0.206 770 Q C 1.127 177.164 176.000 0.062 0.000 0.948 770 Q CA 0.521 56.393 55.803 0.116 0.000 0.946 770 Q CB -0.092 28.753 28.738 0.179 0.000 1.027 770 Q HN 0.887 nan 8.270 nan 0.000 0.513 771 N N -0.643 118.042 118.700 -0.024 0.000 2.520 771 N HA -0.113 4.627 4.740 0.001 0.000 0.185 771 N C 1.354 176.810 175.510 -0.090 0.000 1.068 771 N CA 0.659 53.611 53.050 -0.164 0.000 0.911 771 N CB -0.508 37.851 38.487 -0.213 0.000 0.961 771 N HN -0.005 nan 8.380 nan 0.000 0.446 772 V N 0.429 120.321 119.914 -0.037 0.000 2.255 772 V HA -0.159 3.962 4.120 0.001 0.000 0.247 772 V C 2.405 178.487 176.094 -0.021 0.000 1.051 772 V CA 2.288 64.571 62.300 -0.027 0.000 1.018 772 V CB -1.148 30.670 31.823 -0.008 0.000 0.641 772 V HN 0.602 nan 8.190 nan 0.000 0.445 773 G N -1.944 106.858 108.800 0.003 0.000 2.545 773 G HA2 -0.086 3.874 3.960 0.001 0.000 0.212 773 G HA3 -0.086 3.874 3.960 0.001 0.000 0.212 773 G C 1.726 176.646 174.900 0.033 0.000 1.144 773 G CA 0.729 45.845 45.100 0.027 0.000 0.813 773 G HN 0.467 nan 8.290 nan 0.000 0.531 774 S N 1.238 116.944 115.700 0.009 0.000 2.419 774 S HA -0.117 4.353 4.470 0.001 0.000 0.233 774 S C 2.546 177.114 174.600 -0.054 0.000 1.016 774 S CA 1.464 59.662 58.200 -0.004 0.000 0.974 774 S CB -0.141 63.046 63.200 -0.022 0.000 0.786 774 S HN 0.575 nan 8.310 nan 0.000 0.492 775 S N 1.213 116.864 115.700 -0.081 0.000 2.603 775 S HA 0.111 4.581 4.470 0.001 0.000 0.220 775 S C 0.353 174.949 174.600 -0.006 0.000 0.967 775 S CA -0.347 57.805 58.200 -0.079 0.000 0.920 775 S CB -0.373 62.761 63.200 -0.111 0.000 0.773 775 S HN 0.253 nan 8.310 nan 0.000 0.529 776 N N 2.013 120.745 118.700 0.053 0.000 2.301 776 N HA 0.148 4.888 4.740 0.001 0.000 0.267 776 N C -0.721 174.944 175.510 0.260 0.000 1.304 776 N CA 0.323 53.470 53.050 0.162 0.000 0.851 776 N CB 0.401 39.083 38.487 0.324 0.000 1.070 776 N HN 0.467 nan 8.380 nan 0.000 0.483 777 C N 3.972 123.441 119.300 0.281 0.000 3.113 777 C HA 0.535 4.995 4.460 0.001 0.000 0.376 777 C C -0.757 174.433 174.990 0.333 0.000 1.077 777 C CA -0.997 58.185 59.018 0.274 0.000 1.253 777 C CB 0.387 28.198 27.740 0.117 0.000 1.637 777 C HN 0.759 nan 8.230 nan 0.000 0.535 778 I N 5.289 126.085 120.570 0.377 0.000 2.362 778 I HA 0.517 4.688 4.170 0.001 0.000 0.289 778 I C -0.106 176.114 176.117 0.171 0.000 0.994 778 I CA 0.355 61.847 61.300 0.320 0.000 1.158 778 I CB 1.678 39.897 38.000 0.365 0.000 1.315 778 I HN 0.763 nan 8.210 nan 0.000 0.451 779 T N 8.279 122.918 114.554 0.142 0.000 2.749 779 T HA 0.535 4.885 4.350 0.001 0.000 0.287 779 T C -0.303 174.443 174.700 0.077 0.000 0.970 779 T CA -0.342 61.808 62.100 0.084 0.000 0.980 779 T CB 0.762 69.673 68.868 0.071 0.000 0.924 779 T HN 0.361 nan 8.240 nan 0.000 0.456 780 L N 3.820 125.076 121.223 0.055 0.000 2.346 780 L HA 0.702 5.042 4.340 0.001 0.000 0.274 780 L C -0.320 176.587 176.870 0.061 0.000 1.007 780 L CA -0.846 54.037 54.840 0.071 0.000 0.818 780 L CB 1.882 43.999 42.059 0.098 0.000 1.284 780 L HN 0.433 nan 8.230 nan 0.000 0.424 781 M N 3.090 122.741 119.600 0.086 0.000 2.386 781 M HA 0.455 4.935 4.480 0.001 0.000 0.293 781 M C -1.186 175.191 176.300 0.129 0.000 1.120 781 M CA -0.481 54.875 55.300 0.094 0.000 0.909 781 M CB 2.930 35.561 32.600 0.052 0.000 1.661 781 M HN 0.645 nan 8.290 nan 0.000 0.452 782 E N 1.548 121.858 120.200 0.183 0.000 2.433 782 E HA 0.817 5.168 4.350 0.001 0.000 0.278 782 E C -1.465 175.208 176.600 0.121 0.000 0.976 782 E CA -1.250 55.228 56.400 0.130 0.000 0.793 782 E CB 1.781 31.542 29.700 0.102 0.000 1.311 782 E HN 0.667 nan 8.360 nan 0.000 0.460 783 A N 1.069 123.929 122.820 0.068 0.000 2.425 783 A HA 0.532 4.852 4.320 0.001 0.000 0.249 783 A C -0.127 177.484 177.584 0.044 0.000 1.084 783 A CA 0.036 52.105 52.037 0.054 0.000 0.781 783 A CB 0.921 19.940 19.000 0.032 0.000 1.019 783 A HN 0.460 nan 8.150 nan 0.000 0.490 784 S N -0.064 115.667 115.700 0.051 0.000 2.651 784 S HA 0.831 5.301 4.470 0.001 0.000 0.279 784 S C -0.115 174.502 174.600 0.029 0.000 1.148 784 S CA 0.663 58.884 58.200 0.036 0.000 0.837 784 S CB 1.318 64.565 63.200 0.078 0.000 1.138 784 S HN 2.757 nan 8.310 nan 0.000 0.478 785 G N 2.196 111.006 108.800 0.017 0.000 2.710 785 G HA2 -0.086 3.874 3.960 0.001 0.000 0.668 785 G HA3 -0.086 3.874 3.960 0.001 0.000 0.668 785 G C -2.154 172.750 174.900 0.007 0.000 1.320 785 G CA -0.157 44.953 45.100 0.015 0.000 0.860 785 G HN 0.578 nan 8.290 nan 0.000 0.538 786 P HA -0.026 nan 4.420 nan 0.000 0.219 786 P C 1.581 178.883 177.300 0.004 0.000 1.150 786 P CA 2.517 65.620 63.100 0.003 0.000 0.814 786 P CB -0.152 31.550 31.700 0.004 0.000 0.787 787 T N -5.437 109.121 114.554 0.007 0.000 3.069 787 T HA 0.182 4.533 4.350 0.001 0.000 0.252 787 T C 0.773 175.478 174.700 0.008 0.000 1.053 787 T CA -0.054 62.050 62.100 0.007 0.000 0.964 787 T CB -0.988 67.885 68.868 0.008 0.000 1.005 787 T HN -0.050 nan 8.240 nan 0.000 0.532 788 N N 1.331 120.037 118.700 0.010 0.000 2.725 788 N HA -0.172 4.568 4.740 0.001 0.000 0.249 788 N C 0.337 175.857 175.510 0.017 0.000 1.103 788 N CA 1.171 54.228 53.050 0.012 0.000 0.707 788 N CB -1.281 37.211 38.487 0.007 0.000 1.043 788 N HN 0.767 nan 8.380 nan 0.000 0.553 789 E N -1.277 118.935 120.200 0.019 0.000 2.511 789 E HA 0.079 4.429 4.350 0.001 0.000 0.209 789 E C -0.615 176.002 176.600 0.027 0.000 0.986 789 E CA -0.226 56.187 56.400 0.021 0.000 0.974 789 E CB 0.383 30.092 29.700 0.016 0.000 1.030 789 E HN 0.395 nan 8.360 nan 0.000 0.490 790 D N 1.040 121.460 120.400 0.033 0.000 2.283 790 D HA 0.173 4.814 4.640 0.001 0.000 0.248 790 D C -0.507 175.829 176.300 0.061 0.000 1.072 790 D CA -0.413 53.613 54.000 0.043 0.000 0.929 790 D CB 1.907 42.734 40.800 0.045 0.000 1.182 790 D HN -0.051 nan 8.370 nan 0.000 0.433 791 L N 2.716 123.975 121.223 0.061 0.000 2.262 791 L HA 0.221 4.561 4.340 0.001 0.000 0.288 791 L C -1.184 175.745 176.870 0.098 0.000 1.035 791 L CA -0.695 54.187 54.840 0.071 0.000 0.820 791 L CB 0.427 42.509 42.059 0.038 0.000 1.204 791 L HN 0.241 nan 8.230 nan 0.000 0.424 792 Y N 6.080 126.388 120.300 0.012 0.000 2.336 792 Y HA 0.524 5.075 4.550 0.001 0.000 0.335 792 Y C -0.603 175.307 175.900 0.016 0.000 1.046 792 Y CA -0.239 57.869 58.100 0.013 0.000 1.198 792 Y CB 0.856 39.322 38.460 0.010 0.000 1.182 792 Y HN 0.650 nan 8.280 nan 0.000 0.502 793 I N 6.228 126.445 120.570 -0.588 0.000 2.608 793 I HA 0.564 4.735 4.170 0.001 0.000 0.295 793 I C -1.302 174.429 176.117 -0.644 0.000 1.049 793 I CA -0.394 60.640 61.300 -0.443 0.000 1.063 793 I CB 1.532 39.418 38.000 -0.189 0.000 1.248 793 I HN 0.751 nan 8.210 nan 0.000 0.424 794 S N 5.916 121.400 115.700 -0.360 0.000 2.549 794 S HA 0.686 5.156 4.470 0.001 0.000 0.280 794 S C -1.230 173.329 174.600 -0.068 0.000 1.109 794 S CA -0.656 57.419 58.200 -0.209 0.000 0.905 794 S CB 1.535 64.686 63.200 -0.082 0.000 1.081 794 S HN 0.678 nan 8.310 nan 0.000 0.477 795 C N 2.326 121.601 119.300 -0.042 0.000 2.396 795 C HA 0.824 5.284 4.460 0.001 0.000 0.321 795 C C -0.114 174.882 174.990 0.010 0.000 1.233 795 C CA -0.359 58.659 59.018 0.001 0.000 1.440 795 C CB 1.123 28.861 27.740 -0.005 0.000 2.110 795 C HN 0.973 nan 8.230 nan 0.000 0.473 796 T N 4.827 119.403 114.554 0.036 0.000 2.809 796 T HA 0.548 4.899 4.350 0.001 0.000 0.284 796 T C -0.443 174.280 174.700 0.038 0.000 0.992 796 T CA -0.238 61.868 62.100 0.011 0.000 0.957 796 T CB 0.794 69.649 68.868 -0.022 0.000 0.942 796 T HN 0.566 nan 8.240 nan 0.000 0.439 797 M N 5.187 124.795 119.600 0.012 0.000 1.999 797 M HA 0.271 4.751 4.480 0.001 0.000 0.299 797 M C -1.937 174.362 176.300 -0.002 0.000 0.900 797 M CA -2.085 53.241 55.300 0.044 0.000 0.904 797 M CB 2.568 35.192 32.600 0.040 0.000 1.477 797 M HN 0.260 nan 8.290 nan 0.000 0.403 798 P HA -0.005 nan 4.420 nan 0.000 0.236 798 P C 0.232 177.516 177.300 -0.027 0.000 1.177 798 P CA 0.755 63.797 63.100 -0.097 0.000 0.773 798 P CB 0.240 31.787 31.700 -0.255 0.000 0.878 799 S N -1.125 114.595 115.700 0.034 0.000 2.665 799 S HA 0.341 4.812 4.470 0.001 0.000 0.235 799 S C -0.051 174.587 174.600 0.063 0.000 1.084 799 S CA -0.657 57.572 58.200 0.047 0.000 1.151 799 S CB -1.168 62.075 63.200 0.072 0.000 1.151 799 S HN -0.091 nan 8.310 nan 0.000 0.461 800 I N 2.364 122.969 120.570 0.059 0.000 2.421 800 I HA 0.173 4.343 4.170 0.001 0.000 0.291 800 I C 0.088 176.269 176.117 0.106 0.000 1.089 800 I CA 0.106 61.464 61.300 0.097 0.000 1.354 800 I CB 0.420 38.471 38.000 0.086 0.000 1.413 800 I HN 0.379 nan 8.210 nan 0.000 0.513 801 E N 7.482 127.776 120.200 0.156 0.000 2.046 801 E HA 0.603 4.954 4.350 0.001 0.000 0.279 801 E C -0.703 175.939 176.600 0.069 0.000 0.989 801 E CA -0.165 56.302 56.400 0.110 0.000 0.798 801 E CB 1.599 31.368 29.700 0.115 0.000 1.086 801 E HN 0.464 nan 8.360 nan 0.000 0.399 802 I N 1.679 122.236 120.570 -0.023 0.000 2.918 802 I HA 0.682 4.852 4.170 0.001 0.000 0.301 802 I C -0.860 175.184 176.117 -0.122 0.000 1.312 802 I CA -0.453 60.763 61.300 -0.139 0.000 1.007 802 I CB 2.055 39.992 38.000 -0.105 0.000 1.281 802 I HN 0.565 nan 8.210 nan 0.000 0.440 803 G N 1.178 109.882 108.800 -0.161 0.000 2.677 803 G HA2 0.466 4.427 3.960 0.001 0.000 0.291 803 G HA3 0.466 4.427 3.960 0.001 0.000 0.291 803 G C -0.365 174.459 174.900 -0.126 0.000 1.435 803 G CA 0.226 45.251 45.100 -0.126 0.000 0.826 803 G HN 0.602 nan 8.290 nan 0.000 0.491 804 T N -2.879 111.611 114.554 -0.106 0.000 3.043 804 T HA 0.424 4.775 4.350 0.001 0.000 0.272 804 T C 0.512 175.166 174.700 -0.077 0.000 0.990 804 T CA 0.697 62.744 62.100 -0.088 0.000 0.897 804 T CB -0.152 68.672 68.868 -0.073 0.000 1.111 804 T HN 1.478 nan 8.240 nan 0.000 0.529 805 V N -1.824 118.038 119.914 -0.086 0.000 2.914 805 V HA 0.960 5.080 4.120 0.001 0.000 0.314 805 V C 0.387 176.443 176.094 -0.065 0.000 1.084 805 V CA -0.335 61.923 62.300 -0.071 0.000 0.963 805 V CB 0.752 32.528 31.823 -0.078 0.000 1.025 805 V HN 0.922 nan 8.190 nan 0.000 0.432 806 G N 0.830 109.603 108.800 -0.046 0.000 2.781 806 G HA2 0.427 4.387 3.960 0.001 0.000 0.683 806 G HA3 0.427 4.387 3.960 0.001 0.000 0.683 806 G C 0.716 175.596 174.900 -0.034 0.000 1.390 806 G CA 0.104 45.183 45.100 -0.035 0.000 0.850 806 G HN 2.994 nan 8.290 nan 0.000 0.557 807 G N -0.244 108.543 108.800 -0.021 0.000 2.611 807 G HA2 0.144 4.105 3.960 0.001 0.000 0.301 807 G HA3 0.144 4.105 3.960 0.001 0.000 0.301 807 G C 1.956 176.848 174.900 -0.012 0.000 1.233 807 G CA 2.034 47.125 45.100 -0.015 0.000 0.993 807 G HN 2.527 nan 8.290 nan 0.000 0.553 808 G N -0.560 108.231 108.800 -0.015 0.000 2.598 808 G HA2 0.197 4.158 3.960 0.001 0.000 0.215 808 G HA3 0.197 4.158 3.960 0.001 0.000 0.215 808 G C 1.809 176.697 174.900 -0.020 0.000 1.131 808 G CA 2.199 47.295 45.100 -0.007 0.000 0.785 808 G HN 1.900 nan 8.290 nan 0.000 0.539 809 T N -2.101 112.431 114.554 -0.037 0.000 3.118 809 T HA 0.024 4.375 4.350 0.001 0.000 0.260 809 T C 1.830 176.510 174.700 -0.035 0.000 1.139 809 T CA 0.611 62.685 62.100 -0.043 0.000 1.085 809 T CB -0.161 68.672 68.868 -0.059 0.000 0.934 809 T HN 0.105 nan 8.240 nan 0.000 0.518 810 N N 0.881 119.564 118.700 -0.028 0.000 2.463 810 N HA 0.189 4.929 4.740 0.001 0.000 0.181 810 N C 0.289 175.778 175.510 -0.035 0.000 1.078 810 N CA 0.197 53.230 53.050 -0.027 0.000 0.902 810 N CB -0.091 38.384 38.487 -0.020 0.000 0.970 810 N HN 0.519 nan 8.380 nan 0.000 0.451 811 L N 0.986 122.190 121.223 -0.031 0.000 2.350 811 L HA 0.217 4.557 4.340 0.001 0.000 0.275 811 L C 1.752 178.587 176.870 -0.057 0.000 1.099 811 L CA -0.405 54.407 54.840 -0.046 0.000 0.808 811 L CB 1.191 43.245 42.059 -0.008 0.000 1.149 811 L HN -0.101 nan 8.230 nan 0.000 0.442 812 L N 2.538 123.705 121.223 -0.092 0.000 2.056 812 L HA -0.095 4.245 4.340 0.001 0.000 0.207 812 L C -0.432 176.399 176.870 -0.064 0.000 1.078 812 L CA 1.251 56.041 54.840 -0.084 0.000 0.749 812 L CB -1.304 40.689 42.059 -0.109 0.000 0.901 812 L HN 0.597 nan 8.230 nan 0.000 0.433 813 P HA -0.165 nan 4.420 nan 0.000 0.216 813 P C 1.408 178.698 177.300 -0.017 0.000 1.153 813 P CA 1.094 64.173 63.100 -0.035 0.000 0.848 813 P CB 0.081 31.770 31.700 -0.018 0.000 0.787 814 Q N -0.439 119.353 119.800 -0.013 0.000 2.124 814 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 814 Q C 2.317 178.305 176.000 -0.019 0.000 0.977 814 Q CA 1.489 57.285 55.803 -0.011 0.000 0.850 814 Q CB -0.791 27.941 28.738 -0.011 0.000 0.901 814 Q HN 0.386 nan 8.270 nan 0.000 0.429 815 Q N -0.665 119.120 119.800 -0.026 0.000 2.226 815 Q HA -0.093 4.247 4.340 0.001 0.000 0.204 815 Q C 1.975 177.964 176.000 -0.018 0.000 0.975 815 Q CA 1.057 56.844 55.803 -0.026 0.000 0.866 815 Q CB -0.151 28.568 28.738 -0.031 0.000 0.915 815 Q HN 0.439 nan 8.270 nan 0.000 0.440 816 A N 0.087 122.896 122.820 -0.018 0.000 1.902 816 A HA -0.190 4.131 4.320 0.001 0.000 0.217 816 A C 2.238 179.822 177.584 -0.001 0.000 1.181 816 A CA 1.242 53.272 52.037 -0.011 0.000 0.623 816 A CB -0.792 18.200 19.000 -0.014 0.000 0.818 816 A HN 0.481 nan 8.150 nan 0.000 0.443 817 C N -0.927 118.373 119.300 -0.000 0.000 2.450 817 C HA 0.063 4.524 4.460 0.001 0.000 0.279 817 C C 2.599 177.594 174.990 0.008 0.000 1.335 817 C CA 0.753 59.776 59.018 0.008 0.000 1.749 817 C CB -1.426 26.319 27.740 0.008 0.000 1.963 817 C HN 0.616 nan 8.230 nan 0.000 0.501 818 L N 0.161 121.383 121.223 -0.003 0.000 2.093 818 L HA -0.186 4.154 4.340 0.001 0.000 0.208 818 L C 2.763 179.640 176.870 0.011 0.000 1.085 818 L CA 1.401 56.238 54.840 -0.005 0.000 0.755 818 L CB -0.665 41.381 42.059 -0.021 0.000 0.904 818 L HN 0.425 nan 8.230 nan 0.000 0.435 819 Q N -0.610 119.196 119.800 0.009 0.000 2.167 819 Q HA -0.198 4.142 4.340 0.001 0.000 0.202 819 Q C 2.343 178.361 176.000 0.031 0.000 0.970 819 Q CA 1.359 57.171 55.803 0.016 0.000 0.855 819 Q CB -0.097 28.644 28.738 0.005 0.000 0.911 819 Q HN 0.525 nan 8.270 nan 0.000 0.438 820 M N 0.086 119.706 119.600 0.033 0.000 2.106 820 M HA -0.224 4.256 4.480 0.001 0.000 0.259 820 M C 1.729 178.082 176.300 0.089 0.000 1.068 820 M CA 1.537 56.866 55.300 0.048 0.000 1.100 820 M CB -0.168 32.460 32.600 0.045 0.000 1.351 820 M HN 0.210 nan 8.290 nan 0.000 0.404 821 L N -1.005 120.282 121.223 0.106 0.000 2.591 821 L HA 0.189 4.529 4.340 0.001 0.000 0.228 821 L C 1.209 178.201 176.870 0.203 0.000 1.133 821 L CA 0.105 55.063 54.840 0.198 0.000 0.880 821 L CB -0.432 41.686 42.059 0.098 0.000 1.033 821 L HN 0.596 nan 8.230 nan 0.000 0.450 822 G N 0.932 109.799 108.800 0.111 0.000 2.221 822 G HA2 -0.256 3.704 3.960 0.001 0.000 0.265 822 G HA3 -0.256 3.704 3.960 0.001 0.000 0.265 822 G C 0.583 175.525 174.900 0.070 0.000 1.041 822 G CA 0.443 45.594 45.100 0.085 0.000 0.807 822 G HN 0.365 nan 8.290 nan 0.000 0.502 823 V N -3.604 116.336 119.914 0.043 0.000 3.346 823 V HA 0.451 4.572 4.120 0.001 0.000 0.309 823 V C 0.826 176.915 176.094 -0.008 0.000 1.457 823 V CA 0.431 62.739 62.300 0.014 0.000 1.069 823 V CB 0.818 32.636 31.823 -0.009 0.000 0.944 823 V HN 0.407 nan 8.190 nan 0.000 0.449 824 Q N 2.248 122.046 119.800 -0.004 0.000 2.300 824 Q HA 0.439 4.779 4.340 0.001 0.000 0.280 824 Q C 0.716 176.705 176.000 -0.018 0.000 1.033 824 Q CA 1.944 57.738 55.803 -0.015 0.000 0.903 824 Q CB 0.704 29.435 28.738 -0.010 0.000 1.195 824 Q HN 1.134 nan 8.270 nan 0.000 0.386 825 G N 2.568 111.351 108.800 -0.029 0.000 2.741 825 G HA2 -0.124 3.837 3.960 0.001 0.000 0.222 825 G HA3 -0.124 3.837 3.960 0.001 0.000 0.222 825 G C -0.828 174.051 174.900 -0.036 0.000 1.364 825 G CA -0.339 44.743 45.100 -0.029 0.000 0.866 825 G HN 1.000 nan 8.290 nan 0.000 0.555 826 A N -1.187 121.614 122.820 -0.032 0.000 2.327 826 A HA 0.578 4.898 4.320 0.001 0.000 0.283 826 A C 0.695 178.275 177.584 -0.007 0.000 1.127 826 A CA 0.625 52.638 52.037 -0.039 0.000 0.810 826 A CB 0.981 19.960 19.000 -0.036 0.000 1.066 826 A HN 2.281 nan 8.150 nan 0.000 0.492 827 C N 3.642 122.938 119.300 -0.006 0.000 2.349 827 C HA 0.344 4.805 4.460 0.001 0.000 0.348 827 C C 1.463 176.480 174.990 0.046 0.000 1.223 827 C CA -0.529 58.499 59.018 0.018 0.000 1.746 827 C CB -1.343 26.405 27.740 0.014 0.000 2.360 827 C HN 1.001 nan 8.230 nan 0.000 0.533 828 K N 2.228 122.658 120.400 0.051 0.000 2.097 828 K HA -0.079 4.242 4.320 0.001 0.000 0.205 828 K C 1.316 177.956 176.600 0.066 0.000 1.050 828 K CA 1.641 57.970 56.287 0.070 0.000 0.938 828 K CB 0.123 32.655 32.500 0.054 0.000 0.718 828 K HN 0.706 nan 8.250 nan 0.000 0.442 829 D N 0.481 120.910 120.400 0.048 0.000 2.149 829 D HA -0.100 4.540 4.640 0.001 0.000 0.201 829 D C 0.422 176.751 176.300 0.049 0.000 0.972 829 D CA 1.118 55.143 54.000 0.042 0.000 0.835 829 D CB -0.077 40.742 40.800 0.032 0.000 0.966 829 D HN 0.033 nan 8.370 nan 0.000 0.476 830 N N 0.203 118.934 118.700 0.050 0.000 2.690 830 N HA 0.211 4.952 4.740 0.001 0.000 0.255 830 N C -2.930 172.614 175.510 0.057 0.000 1.195 830 N CA -1.817 51.264 53.050 0.052 0.000 0.790 830 N CB 1.359 39.869 38.487 0.038 0.000 1.216 830 N HN -0.280 nan 8.380 nan 0.000 0.528 831 P HA 0.200 nan 4.420 nan 0.000 0.263 831 P C 0.798 178.114 177.300 0.027 0.000 1.195 831 P CA 0.738 63.894 63.100 0.093 0.000 0.762 831 P CB 0.655 32.521 31.700 0.277 0.000 0.799 832 G N 3.072 111.846 108.800 -0.043 0.000 2.232 832 G HA2 -0.275 3.686 3.960 0.001 0.000 0.226 832 G HA3 -0.275 3.686 3.960 0.001 0.000 0.226 832 G C 1.185 176.068 174.900 -0.028 0.000 0.996 832 G CA 0.396 45.467 45.100 -0.048 0.000 0.626 832 G HN 0.507 nan 8.290 nan 0.000 0.509 833 E N 1.347 121.541 120.200 -0.009 0.000 2.110 833 E HA -0.064 4.287 4.350 0.001 0.000 0.193 833 E C 2.229 178.823 176.600 -0.008 0.000 0.988 833 E CA 2.046 58.446 56.400 0.000 0.000 0.804 833 E CB -0.306 29.403 29.700 0.015 0.000 0.745 833 E HN 0.504 nan 8.360 nan 0.000 0.458 834 N N 0.014 118.703 118.700 -0.018 0.000 2.142 834 N HA -0.070 4.671 4.740 0.001 0.000 0.186 834 N C 1.526 177.009 175.510 -0.044 0.000 1.023 834 N CA 1.556 54.592 53.050 -0.024 0.000 0.852 834 N CB -0.614 37.857 38.487 -0.027 0.000 0.998 834 N HN 0.291 nan 8.380 nan 0.000 0.424 835 A N 1.217 124.003 122.820 -0.057 0.000 1.930 835 A HA -0.063 4.258 4.320 0.001 0.000 0.217 835 A C 2.235 179.787 177.584 -0.054 0.000 1.175 835 A CA 1.012 53.008 52.037 -0.067 0.000 0.627 835 A CB -0.317 18.636 19.000 -0.078 0.000 0.815 835 A HN 0.191 nan 8.150 nan 0.000 0.443 836 R N -1.146 119.330 120.500 -0.040 0.000 2.075 836 R HA -0.159 4.182 4.340 0.001 0.000 0.232 836 R C 2.494 178.768 176.300 -0.042 0.000 1.126 836 R CA 1.603 57.684 56.100 -0.031 0.000 0.963 836 R CB -0.252 30.038 30.300 -0.016 0.000 0.858 836 R HN 0.624 nan 8.270 nan 0.000 0.435 837 Q N 1.065 120.839 119.800 -0.043 0.000 2.084 837 Q HA -0.160 4.180 4.340 0.001 0.000 0.202 837 Q C 1.890 177.806 176.000 -0.140 0.000 0.978 837 Q CA 1.387 57.149 55.803 -0.068 0.000 0.844 837 Q CB -0.315 28.410 28.738 -0.022 0.000 0.898 837 Q HN 0.208 nan 8.270 nan 0.000 0.426 838 L N 0.132 121.287 121.223 -0.112 0.000 2.046 838 L HA -0.023 4.317 4.340 0.001 0.000 0.208 838 L C 2.092 178.903 176.870 -0.099 0.000 1.077 838 L CA 2.232 56.998 54.840 -0.123 0.000 0.747 838 L CB -1.212 40.791 42.059 -0.094 0.000 0.896 838 L HN 0.270 nan 8.230 nan 0.000 0.432 839 A N -0.512 122.269 122.820 -0.065 0.000 1.902 839 A HA -0.215 4.106 4.320 0.001 0.000 0.217 839 A C 2.410 179.963 177.584 -0.051 0.000 1.181 839 A CA 1.718 53.737 52.037 -0.031 0.000 0.623 839 A CB -0.519 18.470 19.000 -0.017 0.000 0.818 839 A HN 0.498 nan 8.150 nan 0.000 0.443 840 R N -0.705 119.746 120.500 -0.082 0.000 2.075 840 R HA -0.040 4.300 4.340 0.001 0.000 0.232 840 R C 2.001 178.213 176.300 -0.147 0.000 1.126 840 R CA 1.513 57.556 56.100 -0.094 0.000 0.963 840 R CB -0.520 29.728 30.300 -0.085 0.000 0.858 840 R HN 0.583 nan 8.270 nan 0.000 0.435 841 I N 0.345 120.768 120.570 -0.245 0.000 2.226 841 I HA -0.260 3.910 4.170 0.001 0.000 0.245 841 I C 2.332 178.360 176.117 -0.148 0.000 1.100 841 I CA 1.099 62.214 61.300 -0.309 0.000 1.374 841 I CB -0.258 37.469 38.000 -0.454 0.000 1.057 841 I HN -0.057 nan 8.210 nan 0.000 0.413 842 V N -0.033 119.829 119.914 -0.087 0.000 2.261 842 V HA -0.367 3.753 4.120 0.001 0.000 0.246 842 V C 2.586 178.655 176.094 -0.041 0.000 1.047 842 V CA 2.083 64.366 62.300 -0.029 0.000 1.015 842 V CB -0.595 31.256 31.823 0.047 0.000 0.642 842 V HN 0.649 nan 8.190 nan 0.000 0.446 843 C N 0.800 120.077 119.300 -0.039 0.000 2.429 843 C HA -0.073 4.387 4.460 0.001 0.000 0.277 843 C C 2.947 177.914 174.990 -0.039 0.000 1.262 843 C CA 0.967 59.965 59.018 -0.034 0.000 1.733 843 C CB -1.554 26.170 27.740 -0.026 0.000 2.010 843 C HN 0.664 nan 8.230 nan 0.000 0.483 844 G N -0.586 108.185 108.800 -0.049 0.000 2.402 844 G HA2 -0.150 3.811 3.960 0.001 0.000 0.216 844 G HA3 -0.150 3.811 3.960 0.001 0.000 0.216 844 G C 1.765 176.647 174.900 -0.030 0.000 1.162 844 G CA 1.573 46.651 45.100 -0.036 0.000 0.777 844 G HN 0.546 nan 8.290 nan 0.000 0.539 845 T N 0.868 115.398 114.554 -0.040 0.000 2.821 845 T HA -0.064 4.287 4.350 0.001 0.000 0.267 845 T C 2.511 177.181 174.700 -0.050 0.000 1.046 845 T CA 0.942 63.022 62.100 -0.034 0.000 1.139 845 T CB -0.204 68.643 68.868 -0.035 0.000 0.871 845 T HN 0.044 nan 8.240 nan 0.000 0.454 846 V N 1.805 121.681 119.914 -0.064 0.000 2.282 846 V HA -0.250 3.870 4.120 0.001 0.000 0.249 846 V C 2.475 178.537 176.094 -0.053 0.000 1.057 846 V CA 2.012 64.261 62.300 -0.086 0.000 1.032 846 V CB -0.576 31.204 31.823 -0.072 0.000 0.645 846 V HN 0.485 nan 8.190 nan 0.000 0.447 847 M N -0.449 119.131 119.600 -0.033 0.000 2.117 847 M HA -0.181 4.300 4.480 0.001 0.000 0.262 847 M C 2.142 178.438 176.300 -0.008 0.000 1.065 847 M CA 2.163 57.449 55.300 -0.022 0.000 1.114 847 M CB -0.285 32.293 32.600 -0.036 0.000 1.361 847 M HN 0.374 nan 8.290 nan 0.000 0.408 848 A N 0.052 122.869 122.820 -0.006 0.000 1.877 848 A HA -0.084 4.237 4.320 0.001 0.000 0.216 848 A C 2.265 179.872 177.584 0.037 0.000 1.186 848 A CA 1.900 53.944 52.037 0.012 0.000 0.620 848 A CB -1.689 17.319 19.000 0.012 0.000 0.822 848 A HN 0.623 nan 8.150 nan 0.000 0.443 849 G N -0.586 108.231 108.800 0.029 0.000 2.418 849 G HA2 -0.193 3.767 3.960 0.001 0.000 0.217 849 G HA3 -0.193 3.767 3.960 0.001 0.000 0.217 849 G C 1.408 176.475 174.900 0.278 0.000 1.158 849 G CA 0.998 46.166 45.100 0.114 0.000 0.771 849 G HN 0.492 nan 8.290 nan 0.000 0.545 850 E N 0.445 120.727 120.200 0.136 0.000 2.051 850 E HA -0.052 4.298 4.350 0.001 0.000 0.192 850 E C 2.702 179.351 176.600 0.082 0.000 0.991 850 E CA 0.425 56.906 56.400 0.136 0.000 0.799 850 E CB -0.446 29.295 29.700 0.068 0.000 0.748 850 E HN 0.418 nan 8.360 nan 0.000 0.449 851 L N 0.659 121.912 121.223 0.049 0.000 2.013 851 L HA -0.230 4.110 4.340 0.001 0.000 0.212 851 L C 2.747 179.633 176.870 0.027 0.000 1.073 851 L CA 1.474 56.330 54.840 0.026 0.000 0.753 851 L CB -0.415 41.653 42.059 0.014 0.000 0.890 851 L HN 0.111 nan 8.230 nan 0.000 0.432 852 S N -0.461 115.265 115.700 0.043 0.000 2.357 852 S HA -0.149 4.321 4.470 0.001 0.000 0.221 852 S C 1.848 176.445 174.600 -0.005 0.000 1.031 852 S CA 1.087 59.303 58.200 0.026 0.000 0.982 852 S CB -0.182 63.043 63.200 0.041 0.000 0.853 852 S HN 0.275 nan 8.310 nan 0.000 0.458 853 L N 1.672 122.880 121.223 -0.025 0.000 2.056 853 L HA 0.068 4.408 4.340 0.001 0.000 0.207 853 L C 2.214 179.032 176.870 -0.085 0.000 1.078 853 L CA 1.823 56.578 54.840 -0.141 0.000 0.749 853 L CB -0.661 41.136 42.059 -0.437 0.000 0.901 853 L HN 0.287 nan 8.230 nan 0.000 0.433 854 M N -0.588 118.990 119.600 -0.037 0.000 2.159 854 M HA -0.128 4.352 4.480 0.001 0.000 0.263 854 M C 2.405 178.696 176.300 -0.016 0.000 1.063 854 M CA 1.676 56.965 55.300 -0.019 0.000 1.110 854 M CB -1.664 30.939 32.600 0.005 0.000 1.374 854 M HN 0.450 nan 8.290 nan 0.000 0.411 855 A N 0.313 123.127 122.820 -0.011 0.000 1.877 855 A HA -0.013 4.307 4.320 0.001 0.000 0.216 855 A C 2.458 180.032 177.584 -0.016 0.000 1.186 855 A CA 2.172 54.205 52.037 -0.008 0.000 0.620 855 A CB -0.944 18.054 19.000 -0.002 0.000 0.822 855 A HN 0.471 nan 8.150 nan 0.000 0.443 856 A N -0.309 122.495 122.820 -0.026 0.000 1.908 856 A HA -0.067 4.254 4.320 0.001 0.000 0.218 856 A C 2.176 179.740 177.584 -0.032 0.000 1.181 856 A CA 1.600 53.618 52.037 -0.031 0.000 0.627 856 A CB -0.616 18.357 19.000 -0.046 0.000 0.818 856 A HN 0.479 nan 8.150 nan 0.000 0.445 857 L N -1.010 120.189 121.223 -0.038 0.000 2.093 857 L HA -0.127 4.214 4.340 0.001 0.000 0.208 857 L C 3.053 179.911 176.870 -0.021 0.000 1.085 857 L CA 0.916 55.736 54.840 -0.034 0.000 0.755 857 L CB -0.482 41.554 42.059 -0.040 0.000 0.904 857 L HN 0.426 nan 8.230 nan 0.000 0.435 858 A N 0.014 122.825 122.820 -0.015 0.000 1.898 858 A HA -0.091 4.229 4.320 0.001 0.000 0.216 858 A C 2.490 180.069 177.584 -0.007 0.000 1.181 858 A CA 1.599 53.631 52.037 -0.008 0.000 0.620 858 A CB -0.600 18.398 19.000 -0.003 0.000 0.819 858 A HN 0.371 nan 8.150 nan 0.000 0.442 859 A N -1.335 121.480 122.820 -0.009 0.000 1.968 859 A HA 0.425 4.746 4.320 0.001 0.000 0.217 859 A C 1.713 179.291 177.584 -0.009 0.000 1.169 859 A CA 1.569 53.602 52.037 -0.008 0.000 0.638 859 A CB -1.146 17.849 19.000 -0.007 0.000 0.812 859 A HN 2.158 nan 8.150 nan 0.000 0.446 860 G N 0.000 108.792 108.800 -0.013 0.000 5.446 860 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 860 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 860 G CA 0.000 45.092 45.100 -0.014 0.000 0.502 860 G HN 0.000 nan 8.290 nan 0.000 0.925