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 3ccz_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 0.000 176.607 176.600 0.011 0.000 1.382 441 E CA 0.000 56.406 56.400 0.010 0.000 0.976 441 E CB 0.000 29.706 29.700 0.010 0.000 0.812 442 P HA 0.259 nan 4.420 nan 0.000 0.280 442 P C -0.713 176.593 177.300 0.010 0.000 1.300 442 P CA -0.218 62.887 63.100 0.008 0.000 0.785 442 P CB 0.509 32.211 31.700 0.004 0.000 0.874 443 R N 3.628 124.137 120.500 0.014 0.000 2.637 443 R HA 0.355 4.696 4.340 0.001 0.000 0.269 443 R C -1.927 174.381 176.300 0.014 0.000 1.089 443 R CA -1.457 54.652 56.100 0.015 0.000 1.177 443 R CB -0.354 29.958 30.300 0.019 0.000 1.091 443 R HN 0.366 nan 8.270 nan 0.000 0.540 444 P HA 0.061 nan 4.420 nan 0.000 0.270 444 P C -0.444 176.872 177.300 0.027 0.000 1.223 444 P CA -0.030 63.080 63.100 0.017 0.000 0.785 444 P CB 0.514 32.223 31.700 0.016 0.000 0.923 445 N N 0.071 118.792 118.700 0.036 0.000 2.309 445 N HA -0.134 4.607 4.740 0.001 0.000 0.182 445 N C 1.305 176.874 175.510 0.098 0.000 1.018 445 N CA 0.912 54.002 53.050 0.067 0.000 0.876 445 N CB -0.153 38.370 38.487 0.061 0.000 0.972 445 N HN 0.555 nan 8.380 nan 0.000 0.434 446 E N 0.566 120.807 120.200 0.069 0.000 2.106 446 E HA -0.171 4.180 4.350 0.001 0.000 0.192 446 E C 1.527 178.139 176.600 0.020 0.000 0.984 446 E CA 0.681 57.107 56.400 0.044 0.000 0.806 446 E CB 0.002 29.718 29.700 0.028 0.000 0.750 446 E HN 0.450 nan 8.360 nan 0.000 0.458 447 E N 0.182 120.393 120.200 0.018 0.000 2.152 447 E HA -0.133 4.217 4.350 0.001 0.000 0.192 447 E C 1.917 178.522 176.600 0.007 0.000 0.983 447 E CA 0.616 57.020 56.400 0.006 0.000 0.818 447 E CB 0.098 29.801 29.700 0.005 0.000 0.758 447 E HN 0.236 nan 8.360 nan 0.000 0.467 448 C N 0.399 119.713 119.300 0.024 0.000 2.446 448 C HA 0.003 4.463 4.460 0.001 0.000 0.279 448 C C 2.502 177.507 174.990 0.025 0.000 1.366 448 C CA 0.147 59.182 59.018 0.029 0.000 1.763 448 C CB -0.795 26.971 27.740 0.042 0.000 1.929 448 C HN 0.452 nan 8.230 nan 0.000 0.509 449 L N 0.237 121.474 121.223 0.023 0.000 2.156 449 L HA -0.161 4.179 4.340 0.001 0.000 0.208 449 L C 2.710 179.566 176.870 -0.023 0.000 1.095 449 L CA 1.327 56.165 54.840 -0.003 0.000 0.770 449 L CB -0.393 41.643 42.059 -0.039 0.000 0.914 449 L HN 0.456 nan 8.230 nan 0.000 0.439 450 Q N -0.481 119.305 119.800 -0.024 0.000 2.187 450 Q HA -0.120 4.221 4.340 0.001 0.000 0.199 450 Q C 2.216 178.189 176.000 -0.044 0.000 0.957 450 Q CA 1.127 56.909 55.803 -0.036 0.000 0.857 450 Q CB 0.108 28.824 28.738 -0.036 0.000 0.929 450 Q HN 0.534 nan 8.270 nan 0.000 0.453 451 I N 0.186 120.732 120.570 -0.040 0.000 2.286 451 I HA -0.239 3.931 4.170 0.001 0.000 0.245 451 I C 2.120 178.217 176.117 -0.034 0.000 1.104 451 I CA 0.623 61.888 61.300 -0.059 0.000 1.397 451 I CB -0.068 37.907 38.000 -0.042 0.000 1.072 451 I HN 0.166 nan 8.210 nan 0.000 0.417 452 L N 0.880 122.099 121.223 -0.008 0.000 2.141 452 L HA -0.015 4.326 4.340 0.001 0.000 0.209 452 L C 2.278 179.142 176.870 -0.011 0.000 1.094 452 L CA 1.796 56.638 54.840 0.003 0.000 0.763 452 L CB -0.885 41.179 42.059 0.008 0.000 0.908 452 L HN 0.183 nan 8.230 nan 0.000 0.437 453 G N -1.133 107.653 108.800 -0.023 0.000 2.448 453 G HA2 -0.246 3.714 3.960 0.001 0.000 0.218 453 G HA3 -0.246 3.714 3.960 0.001 0.000 0.218 453 G C 0.718 175.601 174.900 -0.029 0.000 1.135 453 G CA 0.164 45.247 45.100 -0.027 0.000 0.784 453 G HN 0.440 nan 8.290 nan 0.000 0.543 454 N N 0.015 118.692 118.700 -0.038 0.000 2.518 454 N HA 0.396 5.137 4.740 0.001 0.000 0.266 454 N C 1.344 176.835 175.510 -0.030 0.000 1.196 454 N CA 0.480 53.503 53.050 -0.045 0.000 0.947 454 N CB 1.305 39.747 38.487 -0.075 0.000 1.098 454 N HN -0.003 nan 8.380 nan 0.000 0.450 455 A N 3.066 125.871 122.820 -0.025 0.000 1.929 455 A HA -0.103 4.218 4.320 0.001 0.000 0.216 455 A C 0.917 178.501 177.584 -0.000 0.000 1.176 455 A CA 1.302 53.332 52.037 -0.010 0.000 0.628 455 A CB -0.469 18.525 19.000 -0.010 0.000 0.816 455 A HN 0.871 nan 8.150 nan 0.000 0.444 456 E N -1.008 119.185 120.200 -0.012 0.000 2.411 456 E HA 0.336 4.686 4.350 0.001 0.000 0.228 456 E C 0.271 176.873 176.600 0.002 0.000 1.169 456 E CA -0.244 56.160 56.400 0.007 0.000 1.421 456 E CB 0.278 29.977 29.700 -0.003 0.000 1.333 456 E HN 0.501 nan 8.360 nan 0.000 0.434 457 K N -0.137 120.273 120.400 0.016 0.000 2.924 457 K HA 0.274 4.594 4.320 0.001 0.000 0.232 457 K C 0.797 177.529 176.600 0.220 0.000 1.932 457 K CA 0.166 56.468 56.287 0.025 0.000 1.209 457 K CB 0.615 32.961 32.500 -0.257 0.000 2.242 457 K HN 0.232 nan 8.250 nan 0.000 0.463 458 G N 1.036 109.896 108.800 0.101 0.000 2.645 458 G HA2 -0.292 3.668 3.960 0.001 0.000 0.239 458 G HA3 -0.292 3.668 3.960 0.001 0.000 0.239 458 G C 0.542 175.516 174.900 0.123 0.000 1.331 458 G CA 0.119 45.276 45.100 0.094 0.000 0.890 458 G HN 0.452 nan 8.290 nan 0.000 0.572 459 A N -0.486 122.383 122.820 0.081 0.000 2.167 459 A HA 0.231 4.551 4.320 0.001 0.000 0.214 459 A C 2.141 179.771 177.584 0.076 0.000 1.151 459 A CA 2.091 54.169 52.037 0.067 0.000 0.735 459 A CB -0.299 18.716 19.000 0.026 0.000 0.802 459 A HN 0.804 nan 8.150 nan 0.000 0.467 460 K N -0.861 119.586 120.400 0.079 0.000 2.103 460 K HA -0.171 4.150 4.320 0.001 0.000 0.207 460 K C 1.281 177.835 176.600 -0.077 0.000 1.048 460 K CA 1.726 57.999 56.287 -0.024 0.000 0.930 460 K CB -0.276 32.167 32.500 -0.095 0.000 0.716 460 K HN 0.469 nan 8.250 nan 0.000 0.444 461 F N 1.150 121.098 119.950 -0.004 0.000 2.293 461 F HA 0.032 4.560 4.527 0.001 0.000 0.297 461 F C 0.986 176.785 175.800 -0.001 0.000 1.089 461 F CA 0.323 58.322 58.000 -0.002 0.000 1.377 461 F CB -0.090 38.909 39.000 -0.003 0.000 1.051 461 F HN -0.112 nan 8.300 nan 0.000 0.511 462 L N 0.278 121.603 121.223 0.170 0.000 2.452 462 L HA 0.152 4.492 4.340 0.001 0.000 0.267 462 L C 0.927 177.826 176.870 0.049 0.000 1.188 462 L CA -0.496 54.399 54.840 0.092 0.000 0.821 462 L CB 0.509 42.609 42.059 0.070 0.000 1.102 462 L HN 0.058 nan 8.230 nan 0.000 0.470 463 S N -0.387 115.334 115.700 0.035 0.000 2.719 463 S HA 0.217 4.687 4.470 0.001 0.000 0.285 463 S C 0.424 175.031 174.600 0.011 0.000 1.137 463 S CA -0.663 57.547 58.200 0.018 0.000 1.012 463 S CB 1.394 64.604 63.200 0.016 0.000 1.134 463 S HN 0.609 nan 8.310 nan 0.000 0.544 464 D N 0.881 121.284 120.400 0.005 0.000 2.097 464 D HA 0.073 4.713 4.640 0.001 0.000 0.197 464 D C 2.147 178.445 176.300 -0.004 0.000 0.984 464 D CA 1.862 55.862 54.000 -0.000 0.000 0.826 464 D CB -0.618 40.181 40.800 -0.002 0.000 0.973 464 D HN 0.668 nan 8.370 nan 0.000 0.460 465 A N 0.354 123.173 122.820 -0.002 0.000 1.969 465 A HA -0.159 4.161 4.320 0.001 0.000 0.218 465 A C 1.972 179.554 177.584 -0.003 0.000 1.169 465 A CA 1.330 53.364 52.037 -0.005 0.000 0.635 465 A CB -0.417 18.581 19.000 -0.003 0.000 0.810 465 A HN 0.187 nan 8.150 nan 0.000 0.445 466 E N -0.462 119.740 120.200 0.004 0.000 2.107 466 E HA -0.041 4.309 4.350 0.001 0.000 0.191 466 E C 1.711 178.315 176.600 0.007 0.000 0.982 466 E CA 0.903 57.308 56.400 0.009 0.000 0.809 466 E CB -0.167 29.546 29.700 0.021 0.000 0.756 466 E HN 0.703 nan 8.360 nan 0.000 0.459 467 I N 0.691 121.264 120.570 0.005 0.000 2.439 467 I HA -0.207 3.964 4.170 0.001 0.000 0.251 467 I C 2.070 178.181 176.117 -0.011 0.000 1.139 467 I CA 0.807 62.108 61.300 0.001 0.000 1.438 467 I CB -0.059 37.941 38.000 -0.001 0.000 1.085 467 I HN 0.092 nan 8.210 nan 0.000 0.427 468 I N 0.245 120.805 120.570 -0.015 0.000 2.394 468 I HA -0.292 3.878 4.170 0.001 0.000 0.251 468 I C 2.596 178.696 176.117 -0.029 0.000 1.136 468 I CA 1.294 62.580 61.300 -0.023 0.000 1.425 468 I CB -0.283 37.703 38.000 -0.024 0.000 1.079 468 I HN 0.310 nan 8.210 nan 0.000 0.425 469 Q N 0.664 120.448 119.800 -0.027 0.000 2.123 469 Q HA -0.133 4.208 4.340 0.001 0.000 0.199 469 Q C 2.335 178.295 176.000 -0.067 0.000 0.966 469 Q CA 1.178 56.957 55.803 -0.041 0.000 0.845 469 Q CB 0.122 28.844 28.738 -0.027 0.000 0.907 469 Q HN 0.518 nan 8.270 nan 0.000 0.439 470 L N -0.670 120.527 121.223 -0.043 0.000 2.109 470 L HA -0.126 4.215 4.340 0.001 0.000 0.207 470 L C 2.204 179.038 176.870 -0.060 0.000 1.086 470 L CA 0.458 55.271 54.840 -0.045 0.000 0.760 470 L CB -0.169 41.911 42.059 0.035 0.000 0.910 470 L HN 0.093 nan 8.230 nan 0.000 0.437 471 V N -0.056 119.835 119.914 -0.038 0.000 2.453 471 V HA -0.195 3.925 4.120 0.001 0.000 0.247 471 V C 2.056 178.124 176.094 -0.043 0.000 1.048 471 V CA 1.485 63.768 62.300 -0.029 0.000 1.049 471 V CB -0.576 31.235 31.823 -0.021 0.000 0.672 471 V HN 0.486 nan 8.190 nan 0.000 0.457 472 N N 0.690 119.355 118.700 -0.058 0.000 2.396 472 N HA -0.019 4.722 4.740 0.001 0.000 0.180 472 N C 1.546 177.002 175.510 -0.090 0.000 1.028 472 N CA 1.328 54.342 53.050 -0.059 0.000 0.893 472 N CB -0.131 38.324 38.487 -0.052 0.000 0.967 472 N HN 0.500 nan 8.380 nan 0.000 0.440 473 A N 0.541 123.264 122.820 -0.161 0.000 2.307 473 A HA 0.106 4.427 4.320 0.001 0.000 0.218 473 A C 0.458 177.903 177.584 -0.232 0.000 1.228 473 A CA 0.012 51.892 52.037 -0.260 0.000 0.857 473 A CB 0.116 18.823 19.000 -0.489 0.000 0.897 473 A HN 0.001 nan 8.150 nan 0.000 0.495 474 K N -0.830 119.510 120.400 -0.101 0.000 3.281 474 K HA -0.248 4.072 4.320 0.001 0.000 0.295 474 K C 0.296 176.965 176.600 0.114 0.000 1.233 474 K CA 1.624 57.915 56.287 0.007 0.000 0.866 474 K CB -2.684 29.832 32.500 0.026 0.000 1.265 474 K HN 0.884 nan 8.250 nan 0.000 0.482 475 H N -0.681 118.386 119.070 -0.004 0.000 2.372 475 H HA 0.190 4.746 4.556 0.001 0.000 0.301 475 H C 0.777 176.095 175.328 -0.017 0.000 1.065 475 H CA 0.587 56.630 56.048 -0.008 0.000 1.364 475 H CB 0.357 30.113 29.762 -0.010 0.000 1.406 475 H HN 0.095 nan 8.280 nan 0.000 0.521 476 I N 2.479 123.111 120.570 0.104 0.000 2.433 476 I HA 0.217 4.388 4.170 0.001 0.000 0.292 476 I C -2.286 173.828 176.117 -0.005 0.000 1.001 476 I CA -2.392 58.922 61.300 0.024 0.000 1.119 476 I CB 2.308 40.313 38.000 0.008 0.000 1.289 476 I HN -0.079 nan 8.210 nan 0.000 0.438 477 P HA 0.152 nan 4.420 nan 0.000 0.279 477 P C 0.178 177.426 177.300 -0.087 0.000 1.239 477 P CA -0.301 62.769 63.100 -0.050 0.000 0.789 477 P CB 1.553 33.165 31.700 -0.147 0.000 0.933 478 A N 3.555 126.388 122.820 0.021 0.000 1.969 478 A HA -0.196 4.124 4.320 0.001 0.000 0.218 478 A C 1.871 179.473 177.584 0.031 0.000 1.169 478 A CA 1.345 53.395 52.037 0.021 0.000 0.635 478 A CB -1.645 17.386 19.000 0.051 0.000 0.810 478 A HN 0.726 nan 8.150 nan 0.000 0.445 479 Y N -1.022 119.279 120.300 0.002 0.000 2.571 479 Y HA 0.208 4.758 4.550 0.001 0.000 0.294 479 Y C 1.136 177.044 175.900 0.014 0.000 1.141 479 Y CA 1.016 59.120 58.100 0.007 0.000 1.308 479 Y CB -0.033 38.433 38.460 0.011 0.000 1.002 479 Y HN 0.104 nan 8.280 nan 0.000 0.551 480 K N 0.961 121.065 120.400 -0.494 0.000 2.681 480 K HA 0.255 4.576 4.320 0.001 0.000 0.211 480 K C 0.742 177.243 176.600 -0.164 0.000 1.075 480 K CA -0.093 55.983 56.287 -0.352 0.000 1.141 480 K CB 0.202 32.413 32.500 -0.482 0.000 0.896 480 K HN 0.417 nan 8.250 nan 0.000 0.470 481 L N 0.526 121.689 121.223 -0.099 0.000 2.291 481 L HA -0.146 4.194 4.340 0.001 0.000 0.214 481 L C 1.641 178.483 176.870 -0.048 0.000 1.120 481 L CA 1.139 55.941 54.840 -0.064 0.000 0.799 481 L CB 0.048 42.079 42.059 -0.047 0.000 0.925 481 L HN 0.173 nan 8.230 nan 0.000 0.446 482 E N -0.668 119.517 120.200 -0.024 0.000 2.072 482 E HA -0.126 4.225 4.350 0.001 0.000 0.190 482 E C 2.155 178.716 176.600 -0.066 0.000 0.982 482 E CA 1.496 57.894 56.400 -0.003 0.000 0.803 482 E CB -0.184 29.603 29.700 0.145 0.000 0.755 482 E HN 0.280 nan 8.360 nan 0.000 0.453 483 T N 0.655 115.184 114.554 -0.042 0.000 2.812 483 T HA -0.028 4.322 4.350 0.001 0.000 0.264 483 T C 1.876 176.538 174.700 -0.062 0.000 1.042 483 T CA 0.777 62.847 62.100 -0.050 0.000 1.140 483 T CB -0.166 68.684 68.868 -0.031 0.000 0.870 483 T HN 0.033 nan 8.240 nan 0.000 0.445 484 L N -0.002 121.184 121.223 -0.062 0.000 2.072 484 L HA 0.177 4.517 4.340 0.001 0.000 0.205 484 L C 0.973 177.817 176.870 -0.042 0.000 1.079 484 L CA 0.713 55.523 54.840 -0.050 0.000 0.752 484 L CB -0.370 41.659 42.059 -0.051 0.000 0.906 484 L HN 0.209 nan 8.230 nan 0.000 0.436 485 I N 0.336 120.876 120.570 -0.050 0.000 2.662 485 I HA -0.042 4.128 4.170 0.001 0.000 0.291 485 I C 1.707 177.787 176.117 -0.062 0.000 1.046 485 I CA -0.184 61.091 61.300 -0.041 0.000 1.361 485 I CB 0.960 38.939 38.000 -0.035 0.000 1.429 485 I HN 0.253 nan 8.210 nan 0.000 0.558 486 E N 2.679 122.853 120.200 -0.042 0.000 2.147 486 E HA -0.196 4.155 4.350 0.001 0.000 0.199 486 E C 0.449 176.998 176.600 -0.084 0.000 1.005 486 E CA 1.558 57.929 56.400 -0.048 0.000 0.810 486 E CB -0.427 29.257 29.700 -0.026 0.000 0.736 486 E HN 0.757 nan 8.360 nan 0.000 0.460 487 T N -3.075 111.431 114.554 -0.080 0.000 2.901 487 T HA 0.394 4.745 4.350 0.001 0.000 0.293 487 T C 0.259 174.900 174.700 -0.099 0.000 1.084 487 T CA -0.553 61.493 62.100 -0.090 0.000 1.008 487 T CB 1.474 70.351 68.868 0.014 0.000 1.170 487 T HN 0.026 nan 8.240 nan 0.000 0.509 488 H N -0.121 118.989 119.070 0.067 0.000 2.357 488 H HA 0.062 4.619 4.556 0.001 0.000 0.301 488 H C 2.183 177.516 175.328 0.010 0.000 1.082 488 H CA 1.811 57.894 56.048 0.059 0.000 1.342 488 H CB 0.241 30.097 29.762 0.157 0.000 1.389 488 H HN 0.822 nan 8.280 nan 0.000 0.511 489 E N 1.001 121.342 120.200 0.235 0.000 2.110 489 E HA -0.193 4.158 4.350 0.001 0.000 0.193 489 E C 2.274 178.973 176.600 0.165 0.000 0.988 489 E CA 0.586 57.120 56.400 0.224 0.000 0.804 489 E CB 0.109 29.980 29.700 0.285 0.000 0.745 489 E HN 0.317 nan 8.360 nan 0.000 0.458 490 R N -0.435 120.129 120.500 0.107 0.000 2.115 490 R HA -0.067 4.273 4.340 0.001 0.000 0.226 490 R C 2.292 178.603 176.300 0.018 0.000 1.100 490 R CA 1.073 57.217 56.100 0.073 0.000 0.980 490 R CB -0.285 30.040 30.300 0.041 0.000 0.875 490 R HN 0.230 nan 8.270 nan 0.000 0.445 491 G N -0.128 108.668 108.800 -0.007 0.000 2.422 491 G HA2 -0.191 3.769 3.960 0.001 0.000 0.218 491 G HA3 -0.191 3.769 3.960 0.001 0.000 0.218 491 G C 1.325 176.180 174.900 -0.075 0.000 1.146 491 G CA 0.703 45.780 45.100 -0.039 0.000 0.769 491 G HN 0.198 nan 8.290 nan 0.000 0.547 492 V N 0.617 120.461 119.914 -0.117 0.000 2.548 492 V HA -0.123 3.997 4.120 0.001 0.000 0.249 492 V C 2.967 178.930 176.094 -0.218 0.000 1.055 492 V CA 1.993 64.180 62.300 -0.187 0.000 1.065 492 V CB -0.012 31.619 31.823 -0.319 0.000 0.681 492 V HN 0.472 nan 8.190 nan 0.000 0.462 493 S N -0.232 115.376 115.700 -0.155 0.000 2.383 493 S HA -0.115 4.355 4.470 0.001 0.000 0.227 493 S C 1.956 176.458 174.600 -0.164 0.000 1.026 493 S CA 1.161 59.220 58.200 -0.236 0.000 0.981 493 S CB -0.176 63.032 63.200 0.014 0.000 0.818 493 S HN 0.415 nan 8.310 nan 0.000 0.472 494 I N 1.429 121.943 120.570 -0.094 0.000 2.315 494 I HA -0.045 4.126 4.170 0.001 0.000 0.248 494 I C 2.608 178.677 176.117 -0.081 0.000 1.117 494 I CA 1.158 62.415 61.300 -0.070 0.000 1.404 494 I CB -1.084 36.889 38.000 -0.045 0.000 1.071 494 I HN 0.364 nan 8.210 nan 0.000 0.419 495 R N 0.935 121.380 120.500 -0.092 0.000 2.148 495 R HA -0.104 4.236 4.340 0.001 0.000 0.227 495 R C 2.385 178.625 176.300 -0.100 0.000 1.103 495 R CA 1.003 57.056 56.100 -0.079 0.000 0.983 495 R CB 0.009 30.268 30.300 -0.068 0.000 0.874 495 R HN 0.224 nan 8.270 nan 0.000 0.451 496 R N -0.298 120.108 120.500 -0.157 0.000 2.092 496 R HA -0.081 4.259 4.340 0.001 0.000 0.231 496 R C 2.309 178.532 176.300 -0.129 0.000 1.119 496 R CA 1.619 57.614 56.100 -0.175 0.000 0.970 496 R CB -0.042 30.074 30.300 -0.308 0.000 0.864 496 R HN 0.350 nan 8.270 nan 0.000 0.440 497 Q N -0.099 119.632 119.800 -0.116 0.000 2.123 497 Q HA -0.096 4.244 4.340 0.001 0.000 0.199 497 Q C 1.763 177.728 176.000 -0.059 0.000 0.966 497 Q CA 0.841 56.596 55.803 -0.080 0.000 0.845 497 Q CB 0.076 28.774 28.738 -0.067 0.000 0.907 497 Q HN 0.136 nan 8.270 nan 0.000 0.439 498 L N 0.187 121.376 121.223 -0.056 0.000 2.046 498 L HA -0.168 4.172 4.340 0.001 0.000 0.208 498 L C 2.090 178.937 176.870 -0.038 0.000 1.077 498 L CA 1.354 56.169 54.840 -0.041 0.000 0.747 498 L CB -0.895 41.143 42.059 -0.035 0.000 0.896 498 L HN 0.261 nan 8.230 nan 0.000 0.432 499 L N -1.395 119.800 121.223 -0.046 0.000 2.109 499 L HA -0.090 4.250 4.340 0.001 0.000 0.207 499 L C 2.453 179.299 176.870 -0.039 0.000 1.086 499 L CA 1.447 56.262 54.840 -0.040 0.000 0.760 499 L CB -0.673 41.358 42.059 -0.047 0.000 0.910 499 L HN 0.150 nan 8.230 nan 0.000 0.437 500 S N -0.350 115.321 115.700 -0.048 0.000 2.382 500 S HA -0.171 4.300 4.470 0.001 0.000 0.228 500 S C 1.866 176.447 174.600 -0.033 0.000 1.027 500 S CA 1.343 59.517 58.200 -0.043 0.000 0.991 500 S CB -0.220 62.949 63.200 -0.053 0.000 0.823 500 S HN 0.479 nan 8.310 nan 0.000 0.469 501 K N 1.131 121.512 120.400 -0.031 0.000 2.148 501 K HA -0.025 4.296 4.320 0.001 0.000 0.204 501 K C 2.012 178.600 176.600 -0.020 0.000 1.050 501 K CA 0.957 57.229 56.287 -0.025 0.000 0.942 501 K CB -0.079 32.406 32.500 -0.024 0.000 0.724 501 K HN 0.272 nan 8.250 nan 0.000 0.446 502 K N 0.644 121.032 120.400 -0.021 0.000 2.217 502 K HA 0.000 4.321 4.320 0.001 0.000 0.202 502 K C 0.671 177.262 176.600 -0.015 0.000 1.051 502 K CA 0.468 56.745 56.287 -0.017 0.000 0.952 502 K CB -0.080 32.410 32.500 -0.016 0.000 0.736 502 K HN 0.057 nan 8.250 nan 0.000 0.453 503 L N 1.166 122.379 121.223 -0.017 0.000 2.436 503 L HA -0.001 4.339 4.340 0.001 0.000 0.265 503 L C 1.801 178.664 176.870 -0.012 0.000 1.168 503 L CA -0.344 54.488 54.840 -0.014 0.000 0.815 503 L CB 1.124 43.174 42.059 -0.016 0.000 1.109 503 L HN 0.135 nan 8.230 nan 0.000 0.462 504 S N -0.121 115.574 115.700 -0.009 0.000 2.402 504 S HA -0.125 4.345 4.470 0.001 0.000 0.229 504 S C 0.677 175.274 174.600 -0.006 0.000 1.021 504 S CA 0.532 58.728 58.200 -0.007 0.000 0.974 504 S CB -0.104 63.093 63.200 -0.005 0.000 0.800 504 S HN 0.637 nan 8.310 nan 0.000 0.484 505 E N 2.195 122.391 120.200 -0.006 0.000 2.102 505 E HA 0.441 4.791 4.350 0.001 0.000 0.263 505 E C -2.234 174.359 176.600 -0.012 0.000 0.894 505 E CA -2.886 53.511 56.400 -0.006 0.000 0.746 505 E CB 1.498 31.198 29.700 0.000 0.000 1.129 505 E HN 0.034 nan 8.360 nan 0.000 0.416 506 P HA -0.137 nan 4.420 nan 0.000 0.218 506 P C 0.417 177.699 177.300 -0.030 0.000 1.148 506 P CA 1.117 64.203 63.100 -0.023 0.000 0.822 506 P CB 0.229 31.916 31.700 -0.021 0.000 0.784 507 S N -2.452 113.233 115.700 -0.026 0.000 2.602 507 S HA 0.221 4.692 4.470 0.001 0.000 0.246 507 S C 1.403 175.986 174.600 -0.029 0.000 1.009 507 S CA -0.306 57.871 58.200 -0.038 0.000 1.052 507 S CB -0.819 62.359 63.200 -0.037 0.000 0.778 507 S HN -0.101 nan 8.310 nan 0.000 0.455 508 S N 1.463 117.151 115.700 -0.020 0.000 2.387 508 S HA 0.124 4.594 4.470 0.001 0.000 0.226 508 S C 1.163 175.760 174.600 -0.006 0.000 1.026 508 S CA 0.831 59.029 58.200 -0.003 0.000 0.972 508 S CB -0.297 62.899 63.200 -0.006 0.000 0.814 508 S HN 0.517 nan 8.310 nan 0.000 0.477 509 L N 1.672 122.874 121.223 -0.036 0.000 2.627 509 L HA 0.234 4.575 4.340 0.001 0.000 0.232 509 L C 2.025 178.855 176.870 -0.067 0.000 1.150 509 L CA 0.370 55.182 54.840 -0.046 0.000 0.917 509 L CB -0.542 41.473 42.059 -0.073 0.000 1.104 509 L HN 0.263 nan 8.230 nan 0.000 0.445 510 Q N -0.170 119.562 119.800 -0.113 0.000 2.112 510 Q HA -0.231 4.109 4.340 0.001 0.000 0.206 510 Q C 1.190 176.990 176.000 -0.333 0.000 0.987 510 Q CA 2.074 57.715 55.803 -0.269 0.000 0.858 510 Q CB -0.062 28.414 28.738 -0.436 0.000 0.905 510 Q HN 0.605 nan 8.270 nan 0.000 0.420 511 Y N -0.730 119.566 120.300 -0.007 0.000 2.458 511 Y HA 0.186 4.736 4.550 0.001 0.000 0.256 511 Y C -0.204 175.672 175.900 -0.040 0.000 1.159 511 Y CA -0.843 57.248 58.100 -0.015 0.000 1.261 511 Y CB 0.791 39.242 38.460 -0.014 0.000 1.119 511 Y HN 0.118 nan 8.280 nan 0.000 0.524 512 L N 4.722 125.977 121.223 0.053 0.000 2.325 512 L HA 0.344 4.684 4.340 0.001 0.000 0.284 512 L C -2.352 174.483 176.870 -0.058 0.000 1.089 512 L CA -2.232 52.591 54.840 -0.028 0.000 0.836 512 L CB 0.110 42.148 42.059 -0.035 0.000 1.184 512 L HN -0.149 nan 8.230 nan 0.000 0.444 513 P HA 0.173 nan 4.420 nan 0.000 0.276 513 P C -0.993 176.168 177.300 -0.231 0.000 1.252 513 P CA 0.143 63.088 63.100 -0.258 0.000 0.802 513 P CB 0.921 32.315 31.700 -0.509 0.000 1.035 514 Y N -2.001 118.252 120.300 -0.078 0.000 2.473 514 Y HA 0.389 4.939 4.550 0.001 0.000 0.291 514 Y C 0.497 176.668 175.900 0.452 0.000 1.042 514 Y CA -0.611 57.633 58.100 0.239 0.000 0.996 514 Y CB -0.210 38.347 38.460 0.162 0.000 1.385 514 Y HN -0.005 nan 8.280 nan 0.000 0.578 515 R N 3.023 123.233 120.500 -0.484 0.000 2.694 515 R HA 0.143 4.484 4.340 0.001 0.000 0.268 515 R C -0.246 176.079 176.300 0.042 0.000 1.061 515 R CA 1.045 56.945 56.100 -0.333 0.000 1.133 515 R CB -0.016 30.021 30.300 -0.439 0.000 1.020 515 R HN 0.383 nan 8.270 nan 0.000 0.475 516 D N -0.457 119.974 120.400 0.051 0.000 2.945 516 D HA -0.270 4.371 4.640 0.001 0.000 0.225 516 D C -0.879 175.433 176.300 0.019 0.000 1.158 516 D CA 1.150 55.174 54.000 0.039 0.000 0.805 516 D CB -1.367 39.444 40.800 0.019 0.000 1.098 516 D HN 0.418 nan 8.370 nan 0.000 0.426 517 Y N 1.185 121.405 120.300 -0.133 0.000 2.387 517 Y HA 0.402 4.953 4.550 0.001 0.000 0.336 517 Y C 0.298 175.923 175.900 -0.458 0.000 1.067 517 Y CA -1.305 56.547 58.100 -0.414 0.000 1.114 517 Y CB 1.085 39.149 38.460 -0.661 0.000 1.208 517 Y HN -0.226 nan 8.280 nan 0.000 0.458 518 N N 4.534 122.550 118.700 -1.139 0.000 2.466 518 N HA 0.020 4.761 4.740 0.001 0.000 0.263 518 N C -0.495 174.594 175.510 -0.701 0.000 1.178 518 N CA 0.456 53.066 53.050 -0.733 0.000 0.983 518 N CB -0.331 37.799 38.487 -0.594 0.000 1.331 518 N HN 0.700 nan 8.380 nan 0.000 0.500 519 Y N 0.492 120.691 120.300 -0.168 0.000 2.544 519 Y HA -0.081 4.470 4.550 0.001 0.000 0.286 519 Y C 2.399 178.099 175.900 -0.333 0.000 1.141 519 Y CA 0.480 58.544 58.100 -0.060 0.000 1.299 519 Y CB 0.146 38.658 38.460 0.086 0.000 1.030 519 Y HN 0.578 nan 8.280 nan 0.000 0.543 520 S N 0.148 115.617 115.700 -0.385 0.000 2.382 520 S HA -0.192 4.278 4.470 0.001 0.000 0.228 520 S C 1.686 176.174 174.600 -0.186 0.000 1.027 520 S CA 1.253 59.170 58.200 -0.472 0.000 0.991 520 S CB -0.770 62.280 63.200 -0.251 0.000 0.823 520 S HN 0.530 nan 8.310 nan 0.000 0.469 521 L N 0.817 121.959 121.223 -0.135 0.000 2.341 521 L HA 0.140 4.480 4.340 0.001 0.000 0.214 521 L C 2.354 179.216 176.870 -0.014 0.000 1.115 521 L CA 0.246 55.044 54.840 -0.070 0.000 0.820 521 L CB -0.304 41.702 42.059 -0.089 0.000 0.944 521 L HN 0.232 nan 8.230 nan 0.000 0.452 522 V N -1.084 118.845 119.914 0.026 0.000 2.649 522 V HA -0.053 4.068 4.120 0.001 0.000 0.248 522 V C 1.113 177.268 176.094 0.101 0.000 1.054 522 V CA 0.657 63.020 62.300 0.106 0.000 1.073 522 V CB -0.299 31.665 31.823 0.236 0.000 0.699 522 V HN 0.236 nan 8.190 nan 0.000 0.463 523 M N 0.849 120.497 119.600 0.080 0.000 2.227 523 M HA 0.445 4.926 4.480 0.001 0.000 0.349 523 M C 1.194 177.542 176.300 0.080 0.000 1.443 523 M CA 0.116 55.474 55.300 0.096 0.000 1.110 523 M CB -0.555 32.110 32.600 0.109 0.000 1.773 523 M HN 0.332 nan 8.290 nan 0.000 0.463 524 G N 2.555 111.408 108.800 0.088 0.000 2.198 524 G HA2 -0.020 3.940 3.960 0.001 0.000 0.257 524 G HA3 -0.020 3.940 3.960 0.001 0.000 0.257 524 G C 0.414 175.347 174.900 0.055 0.000 1.042 524 G CA 0.602 45.747 45.100 0.075 0.000 0.791 524 G HN 1.150 nan 8.290 nan 0.000 0.502 525 A N -2.995 119.857 122.820 0.054 0.000 1.519 525 A HA 0.446 4.767 4.320 0.001 0.000 0.210 525 A C 1.647 179.255 177.584 0.040 0.000 1.889 525 A CA 1.585 53.646 52.037 0.040 0.000 1.478 525 A CB -0.235 18.784 19.000 0.031 0.000 1.432 525 A HN 0.957 nan 8.150 nan 0.000 0.340 526 C N -1.070 118.262 119.300 0.054 0.000 3.294 526 C HA 0.610 5.070 4.460 0.001 0.000 0.441 526 C C 0.586 175.615 174.990 0.065 0.000 1.364 526 C CA 0.132 59.183 59.018 0.055 0.000 2.059 526 C CB -0.133 27.644 27.740 0.062 0.000 2.925 526 C HN 0.700 nan 8.230 nan 0.000 0.633 527 C N 1.012 120.361 119.300 0.081 0.000 3.239 527 C HA 0.648 5.109 4.460 0.001 0.000 0.329 527 C C -1.847 173.196 174.990 0.089 0.000 1.252 527 C CA -0.237 58.831 59.018 0.083 0.000 1.323 527 C CB 1.205 29.006 27.740 0.101 0.000 1.663 527 C HN 0.530 nan 8.230 nan 0.000 0.487 528 E N 1.693 121.937 120.200 0.073 0.000 2.359 528 E HA 0.535 4.885 4.350 0.001 0.000 0.266 528 E C -0.374 176.266 176.600 0.068 0.000 0.920 528 E CA -0.444 56.002 56.400 0.077 0.000 0.788 528 E CB 0.632 30.364 29.700 0.055 0.000 1.279 528 E HN 0.598 nan 8.360 nan 0.000 0.438 529 N N -0.627 118.120 118.700 0.078 0.000 2.716 529 N HA -0.147 4.593 4.740 0.001 0.000 0.250 529 N C -0.948 174.583 175.510 0.035 0.000 1.033 529 N CA 0.460 53.544 53.050 0.057 0.000 0.727 529 N CB -1.656 36.856 38.487 0.042 0.000 0.950 529 N HN 0.193 nan 8.380 nan 0.000 0.541 530 V N 1.349 121.286 119.914 0.039 0.000 2.521 530 V HA 0.064 4.184 4.120 0.001 0.000 0.286 530 V C 1.891 177.978 176.094 -0.011 0.000 1.034 530 V CA 0.134 62.460 62.300 0.043 0.000 1.045 530 V CB 0.642 32.519 31.823 0.090 0.000 0.974 530 V HN 0.390 nan 8.190 nan 0.000 0.480 531 I N 1.781 122.354 120.570 0.005 0.000 4.009 531 I HA 0.761 4.932 4.170 0.001 0.000 0.331 531 I C 0.722 176.837 176.117 -0.003 0.000 1.462 531 I CA 0.276 61.550 61.300 -0.044 0.000 1.117 531 I CB 0.285 38.254 38.000 -0.053 0.000 1.091 531 I HN 0.729 nan 8.210 nan 0.000 0.410 532 G N 1.557 110.431 108.800 0.123 0.000 2.291 532 G HA2 0.134 4.095 3.960 0.001 0.000 0.249 532 G HA3 0.134 4.095 3.960 0.001 0.000 0.249 532 G C -1.702 173.307 174.900 0.181 0.000 1.340 532 G CA -0.270 44.959 45.100 0.216 0.000 1.017 532 G HN 0.459 nan 8.290 nan 0.000 0.470 533 Y N -2.503 117.780 120.300 -0.028 0.000 2.588 533 Y HA 0.870 5.421 4.550 0.001 0.000 0.343 533 Y C -0.568 175.290 175.900 -0.070 0.000 1.065 533 Y CA -1.825 56.180 58.100 -0.158 0.000 1.038 533 Y CB 1.974 40.154 38.460 -0.467 0.000 1.297 533 Y HN 0.782 nan 8.280 nan 0.000 0.467 534 M N 4.881 124.542 119.600 0.102 0.000 2.044 534 M HA 0.522 5.003 4.480 0.001 0.000 0.333 534 M C -2.945 173.438 176.300 0.138 0.000 1.004 534 M CA -3.140 52.193 55.300 0.055 0.000 0.954 534 M CB 0.870 33.492 32.600 0.037 0.000 1.468 534 M HN 0.500 nan 8.290 nan 0.000 0.414 535 P HA 0.253 nan 4.420 nan 0.000 0.276 535 P C -1.128 176.224 177.300 0.086 0.000 1.253 535 P CA -0.114 63.083 63.100 0.162 0.000 0.766 535 P CB 0.225 32.030 31.700 0.175 0.000 0.845 536 I N 5.611 126.226 120.570 0.074 0.000 2.330 536 I HA 0.276 4.447 4.170 0.001 0.000 0.289 536 I C -2.078 174.067 176.117 0.046 0.000 1.001 536 I CA -3.095 58.236 61.300 0.051 0.000 1.193 536 I CB 0.668 38.696 38.000 0.047 0.000 1.345 536 I HN 0.129 nan 8.210 nan 0.000 0.461 537 P HA 0.069 nan 4.420 nan 0.000 0.264 537 P C -0.507 176.811 177.300 0.031 0.000 1.183 537 P CA 0.076 63.196 63.100 0.033 0.000 0.763 537 P CB 0.549 32.264 31.700 0.025 0.000 0.807 538 V N 3.497 123.428 119.914 0.029 0.000 2.409 538 V HA 0.635 4.756 4.120 0.001 0.000 0.291 538 V C 0.808 176.917 176.094 0.024 0.000 1.020 538 V CA -0.319 61.997 62.300 0.027 0.000 0.848 538 V CB 1.499 33.338 31.823 0.027 0.000 0.990 538 V HN 0.752 nan 8.190 nan 0.000 0.430 539 G N 2.472 111.287 108.800 0.024 0.000 2.509 539 G HA2 0.651 4.611 3.960 0.001 0.000 0.328 539 G HA3 0.651 4.611 3.960 0.001 0.000 0.328 539 G C -1.262 173.653 174.900 0.025 0.000 1.194 539 G CA -0.691 44.423 45.100 0.023 0.000 0.967 539 G HN 0.635 nan 8.290 nan 0.000 0.488 540 V N -0.303 119.626 119.914 0.025 0.000 2.540 540 V HA 0.781 4.901 4.120 0.001 0.000 0.302 540 V C -0.350 175.761 176.094 0.029 0.000 1.035 540 V CA -0.527 61.790 62.300 0.028 0.000 0.873 540 V CB 1.472 33.312 31.823 0.028 0.000 0.992 540 V HN 1.281 nan 8.190 nan 0.000 0.428 541 A N 4.680 127.521 122.820 0.034 0.000 2.310 541 A HA 0.996 5.317 4.320 0.001 0.000 0.304 541 A C 0.044 177.654 177.584 0.044 0.000 1.231 541 A CA 0.278 52.336 52.037 0.034 0.000 0.799 541 A CB 1.026 20.044 19.000 0.031 0.000 1.162 541 A HN 1.869 nan 8.150 nan 0.000 0.486 542 G N 1.840 110.664 108.800 0.041 0.000 2.342 542 G HA2 0.634 4.594 3.960 0.001 0.000 0.297 542 G HA3 0.634 4.594 3.960 0.001 0.000 0.297 542 G C -3.415 171.506 174.900 0.034 0.000 1.313 542 G CA -0.595 44.534 45.100 0.048 0.000 0.830 542 G HN 0.550 nan 8.290 nan 0.000 0.506 543 P HA 0.407 nan 4.420 nan 0.000 0.276 543 P C -0.688 176.649 177.300 0.062 0.000 1.230 543 P CA -0.359 62.766 63.100 0.042 0.000 0.776 543 P CB 1.714 33.423 31.700 0.014 0.000 0.888 544 L N 5.044 126.333 121.223 0.109 0.000 2.295 544 L HA 0.233 4.574 4.340 0.001 0.000 0.288 544 L C -0.532 176.437 176.870 0.166 0.000 1.079 544 L CA -0.391 54.527 54.840 0.130 0.000 0.830 544 L CB -0.329 41.819 42.059 0.149 0.000 1.200 544 L HN 0.367 nan 8.230 nan 0.000 0.438 545 C N 6.373 125.733 119.300 0.101 0.000 2.416 545 C HA 0.506 4.966 4.460 0.001 0.000 0.355 545 C C 0.017 175.079 174.990 0.119 0.000 1.211 545 C CA -0.601 58.468 59.018 0.086 0.000 1.699 545 C CB -1.028 26.738 27.740 0.044 0.000 2.310 545 C HN 0.697 nan 8.230 nan 0.000 0.539 546 L N 4.483 125.822 121.223 0.194 0.000 2.439 546 L HA 0.447 4.788 4.340 0.001 0.000 0.270 546 L C -0.313 176.686 176.870 0.215 0.000 0.972 546 L CA 0.504 55.469 54.840 0.208 0.000 0.836 546 L CB 0.907 43.117 42.059 0.251 0.000 1.255 546 L HN 0.690 nan 8.230 nan 0.000 0.404 547 D N 4.342 124.817 120.400 0.124 0.000 2.699 547 D HA -0.220 4.420 4.640 0.001 0.000 0.239 547 D C 0.106 176.451 176.300 0.074 0.000 1.136 547 D CA 1.262 55.321 54.000 0.098 0.000 0.668 547 D CB -0.391 40.477 40.800 0.114 0.000 1.060 547 D HN 0.975 nan 8.370 nan 0.000 0.429 548 E N -2.253 117.976 120.200 0.049 0.000 2.971 548 E HA -0.278 4.073 4.350 0.001 0.000 0.278 548 E C 0.241 176.830 176.600 -0.019 0.000 1.009 548 E CA 1.184 57.594 56.400 0.016 0.000 0.862 548 E CB -0.690 29.018 29.700 0.014 0.000 1.436 548 E HN 0.542 nan 8.360 nan 0.000 0.434 549 K N -0.041 120.338 120.400 -0.034 0.000 2.372 549 K HA 0.562 4.882 4.320 0.001 0.000 0.251 549 K C -0.532 175.916 176.600 -0.254 0.000 1.055 549 K CA -0.773 55.401 56.287 -0.189 0.000 0.879 549 K CB 1.655 33.974 32.500 -0.301 0.000 1.384 549 K HN -0.046 nan 8.250 nan 0.000 0.465 550 E N 0.969 120.889 120.200 -0.467 0.000 2.256 550 E HA 0.368 4.718 4.350 0.001 0.000 0.268 550 E C -1.474 174.801 176.600 -0.541 0.000 0.877 550 E CA -0.527 55.677 56.400 -0.328 0.000 0.757 550 E CB 1.560 31.163 29.700 -0.162 0.000 1.183 550 E HN 0.244 nan 8.360 nan 0.000 0.418 551 F N 1.331 121.282 119.950 0.003 0.000 2.520 551 F HA 0.264 4.791 4.527 0.001 0.000 0.322 551 F C 0.214 176.016 175.800 0.003 0.000 1.103 551 F CA -1.032 56.969 58.000 0.003 0.000 0.926 551 F CB 1.773 40.775 39.000 0.003 0.000 1.154 551 F HN 0.108 nan 8.300 nan 0.000 0.453 552 Q N 3.262 123.164 119.800 0.171 0.000 2.398 552 Q HA 0.369 4.710 4.340 0.001 0.000 0.251 552 Q C -0.756 175.309 176.000 0.108 0.000 0.999 552 Q CA -0.475 55.391 55.803 0.105 0.000 0.874 552 Q CB 1.974 30.748 28.738 0.060 0.000 1.215 552 Q HN 0.400 nan 8.270 nan 0.000 0.470 553 V N 5.857 125.824 119.914 0.088 0.000 2.364 553 V HA 0.280 4.400 4.120 0.001 0.000 0.272 553 V C -1.946 174.174 176.094 0.043 0.000 1.036 553 V CA -1.652 60.685 62.300 0.061 0.000 0.880 553 V CB 1.053 32.902 31.823 0.042 0.000 0.991 553 V HN 0.549 nan 8.190 nan 0.000 0.460 554 P HA 0.409 nan 4.420 nan 0.000 0.279 554 P C -0.896 176.423 177.300 0.031 0.000 1.239 554 P CA -0.415 62.705 63.100 0.032 0.000 0.789 554 P CB 0.971 32.689 31.700 0.029 0.000 0.933 555 M N 2.036 121.654 119.600 0.030 0.000 2.098 555 M HA 0.394 4.874 4.480 0.001 0.000 0.265 555 M C -0.579 175.740 176.300 0.031 0.000 0.940 555 M CA -0.566 54.752 55.300 0.030 0.000 1.007 555 M CB 2.205 34.820 32.600 0.025 0.000 1.823 555 M HN 0.282 nan 8.290 nan 0.000 0.453 556 A N 2.443 125.284 122.820 0.035 0.000 2.310 556 A HA 0.713 5.033 4.320 0.001 0.000 0.300 556 A C -0.043 177.561 177.584 0.032 0.000 1.269 556 A CA -0.011 52.047 52.037 0.035 0.000 0.909 556 A CB 0.408 19.432 19.000 0.041 0.000 1.144 556 A HN 0.719 nan 8.150 nan 0.000 0.540 557 T N 0.312 114.883 114.554 0.028 0.000 2.840 557 T HA 0.514 4.864 4.350 0.001 0.000 0.317 557 T C 0.413 175.126 174.700 0.022 0.000 1.401 557 T CA 0.320 62.435 62.100 0.025 0.000 1.028 557 T CB 1.294 70.177 68.868 0.024 0.000 1.317 557 T HN 0.964 nan 8.240 nan 0.000 0.495 558 T N -0.492 114.073 114.554 0.018 0.000 3.132 558 T HA 0.379 4.730 4.350 0.001 0.000 0.274 558 T C 0.242 174.948 174.700 0.010 0.000 1.011 558 T CA -0.326 61.782 62.100 0.013 0.000 0.899 558 T CB -0.032 68.843 68.868 0.011 0.000 1.089 558 T HN 0.581 nan 8.240 nan 0.000 0.543 559 E N 1.493 121.702 120.200 0.014 0.000 2.130 559 E HA 0.515 4.865 4.350 0.001 0.000 0.284 559 E C 0.594 177.201 176.600 0.012 0.000 1.018 559 E CA -0.724 55.683 56.400 0.012 0.000 0.817 559 E CB 0.442 30.153 29.700 0.018 0.000 1.078 559 E HN 0.457 nan 8.360 nan 0.000 0.396 560 G N 2.694 111.497 108.800 0.005 0.000 2.432 560 G HA2 0.088 4.048 3.960 0.001 0.000 0.239 560 G HA3 0.088 4.048 3.960 0.001 0.000 0.239 560 G C 0.508 175.410 174.900 0.004 0.000 1.291 560 G CA -0.008 45.094 45.100 0.004 0.000 0.863 560 G HN 0.955 nan 8.290 nan 0.000 0.560 561 C N 0.936 120.240 119.300 0.007 0.000 4.933 561 C HA -0.182 4.279 4.460 0.001 0.000 0.249 561 C C 2.275 177.276 174.990 0.019 0.000 1.406 561 C CA 0.530 59.552 59.018 0.007 0.000 1.505 561 C CB -2.115 25.623 27.740 -0.004 0.000 1.870 561 C HN 0.828 nan 8.230 nan 0.000 0.651 562 L N 1.281 122.522 121.223 0.029 0.000 2.056 562 L HA 0.004 4.344 4.340 0.001 0.000 0.207 562 L C 2.255 179.158 176.870 0.054 0.000 1.078 562 L CA 2.529 57.403 54.840 0.056 0.000 0.749 562 L CB -0.524 41.571 42.059 0.060 0.000 0.901 562 L HN 0.319 nan 8.230 nan 0.000 0.433 563 V N 0.021 119.957 119.914 0.037 0.000 2.307 563 V HA -0.203 3.917 4.120 0.001 0.000 0.245 563 V C 2.780 178.892 176.094 0.031 0.000 1.045 563 V CA 1.498 63.817 62.300 0.032 0.000 1.024 563 V CB -1.311 30.527 31.823 0.026 0.000 0.651 563 V HN 0.571 nan 8.190 nan 0.000 0.449 564 A N -0.734 122.101 122.820 0.026 0.000 1.972 564 A HA -0.215 4.105 4.320 0.001 0.000 0.219 564 A C 2.543 180.142 177.584 0.025 0.000 1.169 564 A CA 2.166 54.216 52.037 0.022 0.000 0.635 564 A CB -0.641 18.368 19.000 0.015 0.000 0.810 564 A HN 0.475 nan 8.150 nan 0.000 0.446 565 S N -0.997 114.722 115.700 0.031 0.000 2.371 565 S HA -0.112 4.359 4.470 0.001 0.000 0.224 565 S C 2.027 176.658 174.600 0.051 0.000 1.029 565 S CA 1.982 60.203 58.200 0.036 0.000 0.978 565 S CB -0.537 62.684 63.200 0.035 0.000 0.833 565 S HN 0.598 nan 8.310 nan 0.000 0.466 566 T N 1.884 116.474 114.554 0.061 0.000 2.833 566 T HA -0.062 4.289 4.350 0.001 0.000 0.269 566 T C 1.694 176.415 174.700 0.036 0.000 1.054 566 T CA 1.505 63.636 62.100 0.052 0.000 1.135 566 T CB -0.605 68.287 68.868 0.040 0.000 0.869 566 T HN 0.519 nan 8.240 nan 0.000 0.466 567 N N 0.981 119.700 118.700 0.032 0.000 2.244 567 N HA -0.051 4.690 4.740 0.001 0.000 0.183 567 N C 1.907 177.433 175.510 0.025 0.000 1.016 567 N CA 0.899 53.966 53.050 0.028 0.000 0.866 567 N CB -0.106 38.396 38.487 0.025 0.000 0.980 567 N HN 0.282 nan 8.380 nan 0.000 0.430 568 R N -0.639 119.876 120.500 0.025 0.000 2.092 568 R HA -0.012 4.329 4.340 0.001 0.000 0.231 568 R C 2.040 178.354 176.300 0.022 0.000 1.119 568 R CA 1.418 57.530 56.100 0.021 0.000 0.970 568 R CB -0.551 29.759 30.300 0.018 0.000 0.864 568 R HN 0.316 nan 8.270 nan 0.000 0.440 569 G N -0.020 108.797 108.800 0.027 0.000 2.408 569 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 569 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 569 G C 1.484 176.396 174.900 0.021 0.000 1.150 569 G CA 0.847 45.962 45.100 0.025 0.000 0.776 569 G HN 0.404 nan 8.290 nan 0.000 0.542 570 C N -0.052 119.263 119.300 0.025 0.000 2.425 570 C HA 0.065 4.526 4.460 0.001 0.000 0.277 570 C C 2.824 177.829 174.990 0.025 0.000 1.280 570 C CA 0.894 59.928 59.018 0.028 0.000 1.744 570 C CB -0.594 27.167 27.740 0.035 0.000 1.989 570 C HN 0.466 nan 8.230 nan 0.000 0.491 571 R N 1.834 122.347 120.500 0.022 0.000 2.092 571 R HA -0.014 4.327 4.340 0.001 0.000 0.231 571 R C 2.072 178.382 176.300 0.017 0.000 1.119 571 R CA 1.999 58.111 56.100 0.019 0.000 0.970 571 R CB -0.774 29.536 30.300 0.016 0.000 0.864 571 R HN 0.445 nan 8.270 nan 0.000 0.440 572 A N 0.171 123.001 122.820 0.016 0.000 1.898 572 A HA -0.034 4.286 4.320 0.001 0.000 0.216 572 A C 2.263 179.855 177.584 0.014 0.000 1.181 572 A CA 1.442 53.487 52.037 0.014 0.000 0.620 572 A CB -0.485 18.522 19.000 0.013 0.000 0.819 572 A HN 0.345 nan 8.150 nan 0.000 0.442 573 I N -0.240 120.339 120.570 0.015 0.000 2.315 573 I HA -0.168 4.002 4.170 0.001 0.000 0.248 573 I C 2.617 178.746 176.117 0.021 0.000 1.117 573 I CA 1.040 62.349 61.300 0.016 0.000 1.404 573 I CB -0.410 37.600 38.000 0.017 0.000 1.071 573 I HN 0.387 nan 8.210 nan 0.000 0.419 574 G N 0.870 109.683 108.800 0.022 0.000 2.402 574 G HA2 -0.144 3.816 3.960 0.001 0.000 0.216 574 G HA3 -0.144 3.816 3.960 0.001 0.000 0.216 574 G C 1.634 176.544 174.900 0.017 0.000 1.162 574 G CA 0.347 45.460 45.100 0.021 0.000 0.777 574 G HN 0.288 nan 8.290 nan 0.000 0.539 575 L N 0.772 122.004 121.223 0.016 0.000 2.478 575 L HA 0.160 4.501 4.340 0.001 0.000 0.223 575 L C 2.431 179.311 176.870 0.016 0.000 1.140 575 L CA 0.481 55.329 54.840 0.014 0.000 0.842 575 L CB 0.089 42.156 42.059 0.013 0.000 0.953 575 L HN 0.290 nan 8.230 nan 0.000 0.452 576 G N -1.356 107.455 108.800 0.019 0.000 3.523 576 G HA2 0.372 4.333 3.960 0.001 0.000 0.270 576 G HA3 0.372 4.333 3.960 0.001 0.000 0.270 576 G C 1.167 176.082 174.900 0.025 0.000 1.134 576 G CA 0.406 45.520 45.100 0.022 0.000 0.825 576 G HN 0.393 nan 8.290 nan 0.000 0.534 577 G N -1.261 107.552 108.800 0.023 0.000 2.217 577 G HA2 0.250 4.210 3.960 0.001 0.000 0.246 577 G HA3 0.250 4.210 3.960 0.001 0.000 0.246 577 G C 0.989 175.905 174.900 0.027 0.000 0.990 577 G CA 0.607 45.721 45.100 0.024 0.000 0.627 577 G HN 2.223 nan 8.290 nan 0.000 0.522 578 G N -1.172 107.645 108.800 0.029 0.000 2.592 578 G HA2 0.521 4.482 3.960 0.001 0.000 0.684 578 G HA3 0.521 4.482 3.960 0.001 0.000 0.684 578 G C -0.085 174.836 174.900 0.035 0.000 1.291 578 G CA 0.824 45.945 45.100 0.034 0.000 0.891 578 G HN 2.211 nan 8.290 nan 0.000 0.544 579 A N -0.525 122.319 122.820 0.040 0.000 2.330 579 A HA 0.970 5.291 4.320 0.001 0.000 0.329 579 A C 0.277 177.887 177.584 0.043 0.000 1.135 579 A CA 0.420 52.477 52.037 0.032 0.000 0.817 579 A CB 1.671 20.683 19.000 0.020 0.000 1.269 579 A HN 1.916 nan 8.150 nan 0.000 0.469 580 S N 0.256 115.978 115.700 0.037 0.000 2.521 580 S HA 0.750 5.220 4.470 0.001 0.000 0.295 580 S C -0.346 174.271 174.600 0.028 0.000 1.098 580 S CA -0.423 57.802 58.200 0.041 0.000 0.999 580 S CB 1.623 64.851 63.200 0.046 0.000 1.034 580 S HN 1.234 nan 8.310 nan 0.000 0.483 581 S N 2.456 118.171 115.700 0.025 0.000 2.632 581 S HA 0.837 5.307 4.470 0.001 0.000 0.289 581 S C -1.318 173.288 174.600 0.011 0.000 1.115 581 S CA -1.153 57.053 58.200 0.010 0.000 0.889 581 S CB 1.558 64.755 63.200 -0.006 0.000 1.116 581 S HN 0.511 nan 8.310 nan 0.000 0.486 582 R N 0.644 121.145 120.500 0.002 0.000 2.564 582 R HA 0.468 4.809 4.340 0.001 0.000 0.284 582 R C -1.626 174.669 176.300 -0.008 0.000 1.031 582 R CA -0.671 55.429 56.100 0.001 0.000 0.904 582 R CB 1.874 32.176 30.300 0.004 0.000 1.199 582 R HN 0.622 nan 8.270 nan 0.000 0.443 583 V N 5.349 125.259 119.914 -0.008 0.000 2.427 583 V HA 0.145 4.265 4.120 0.001 0.000 0.268 583 V C 1.651 177.737 176.094 -0.014 0.000 1.046 583 V CA 0.011 62.304 62.300 -0.013 0.000 0.970 583 V CB 0.811 32.628 31.823 -0.010 0.000 1.001 583 V HN 0.625 nan 8.190 nan 0.000 0.476 584 L N 3.974 125.183 121.223 -0.023 0.000 2.307 584 L HA 0.480 4.820 4.340 0.001 0.000 0.211 584 L C 0.943 177.796 176.870 -0.027 0.000 1.099 584 L CA 0.849 55.672 54.840 -0.028 0.000 0.816 584 L CB -0.072 41.961 42.059 -0.043 0.000 0.952 584 L HN 0.739 nan 8.230 nan 0.000 0.455 585 A N -0.822 121.983 122.820 -0.026 0.000 2.612 585 A HA 0.620 4.940 4.320 0.001 0.000 0.293 585 A C -1.919 175.657 177.584 -0.013 0.000 1.075 585 A CA -0.399 51.625 52.037 -0.022 0.000 0.680 585 A CB 1.850 20.829 19.000 -0.035 0.000 1.279 585 A HN -0.040 nan 8.150 nan 0.000 0.411 586 D N -0.450 119.948 120.400 -0.003 0.000 2.764 586 D HA 0.558 5.198 4.640 0.001 0.000 0.227 586 D C -0.572 175.739 176.300 0.018 0.000 1.347 586 D CA 0.914 54.917 54.000 0.005 0.000 0.953 586 D CB 1.540 42.345 40.800 0.008 0.000 1.476 586 D HN 1.470 nan 8.370 nan 0.000 0.585 587 G N 2.548 111.360 108.800 0.020 0.000 1.984 587 G HA2 0.365 4.326 3.960 0.001 0.000 0.313 587 G HA3 0.365 4.326 3.960 0.001 0.000 0.313 587 G C -0.803 174.121 174.900 0.041 0.000 1.632 587 G CA -0.913 44.210 45.100 0.038 0.000 0.963 587 G HN 0.364 nan 8.290 nan 0.000 0.595 588 M N 2.591 122.228 119.600 0.061 0.000 2.245 588 M HA 0.671 5.151 4.480 0.001 0.000 0.330 588 M C 0.803 177.162 176.300 0.099 0.000 1.098 588 M CA -0.059 55.282 55.300 0.068 0.000 1.172 588 M CB 0.725 33.368 32.600 0.071 0.000 1.467 588 M HN 0.815 nan 8.290 nan 0.000 0.454 589 T N 2.042 116.651 114.554 0.091 0.000 2.916 589 T HA 0.877 5.228 4.350 0.001 0.000 0.292 589 T C -0.915 173.877 174.700 0.152 0.000 1.055 589 T CA -1.034 61.139 62.100 0.121 0.000 1.009 589 T CB 1.699 70.598 68.868 0.052 0.000 1.118 589 T HN 0.776 nan 8.240 nan 0.000 0.497 590 R N -0.134 120.502 120.500 0.227 0.000 2.621 590 R HA 0.696 5.036 4.340 0.001 0.000 0.284 590 R C -0.408 176.090 176.300 0.330 0.000 0.998 590 R CA -0.472 55.768 56.100 0.234 0.000 0.895 590 R CB 1.794 32.218 30.300 0.206 0.000 1.195 590 R HN 1.111 nan 8.270 nan 0.000 0.450 591 G N 4.856 113.838 108.800 0.303 0.000 4.519 591 G HA2 0.320 4.281 3.960 0.001 0.000 0.336 591 G HA3 0.320 4.281 3.960 0.001 0.000 0.336 591 G C -2.510 172.621 174.900 0.384 0.000 1.491 591 G CA -1.179 44.163 45.100 0.404 0.000 1.008 591 G HN 0.472 nan 8.290 nan 0.000 0.515 592 P HA 0.153 nan 4.420 nan 0.000 0.270 592 P C -0.169 177.213 177.300 0.137 0.000 1.223 592 P CA -0.130 63.103 63.100 0.223 0.000 0.785 592 P CB 2.215 34.046 31.700 0.217 0.000 0.923 593 V N 2.922 122.834 119.914 -0.003 0.000 2.448 593 V HA 0.438 4.559 4.120 0.001 0.000 0.295 593 V C -0.118 175.858 176.094 -0.197 0.000 1.025 593 V CA -0.705 61.416 62.300 -0.298 0.000 0.859 593 V CB 1.435 32.999 31.823 -0.431 0.000 0.988 593 V HN 0.451 nan 8.190 nan 0.000 0.431 594 V N 5.028 124.806 119.914 -0.227 0.000 3.103 594 V HA 0.802 4.922 4.120 0.001 0.000 0.318 594 V C -0.556 175.440 176.094 -0.164 0.000 1.114 594 V CA -1.011 61.210 62.300 -0.131 0.000 1.020 594 V CB 2.225 34.013 31.823 -0.058 0.000 1.085 594 V HN 0.880 nan 8.190 nan 0.000 0.446 595 R N 2.202 122.645 120.500 -0.095 0.000 2.510 595 R HA 0.567 4.907 4.340 0.001 0.000 0.294 595 R C -1.654 174.617 176.300 -0.048 0.000 1.056 595 R CA -0.696 55.355 56.100 -0.081 0.000 0.918 595 R CB 1.910 32.174 30.300 -0.060 0.000 1.187 595 R HN 0.576 nan 8.270 nan 0.000 0.437 596 L N 3.361 124.550 121.223 -0.057 0.000 2.400 596 L HA 0.400 4.740 4.340 0.001 0.000 0.264 596 L C -1.283 175.575 176.870 -0.021 0.000 1.061 596 L CA -2.291 52.525 54.840 -0.039 0.000 0.799 596 L CB 0.984 43.002 42.059 -0.069 0.000 1.240 596 L HN 0.237 nan 8.230 nan 0.000 0.461 597 P HA -0.068 nan 4.420 nan 0.000 0.215 597 P C -0.175 177.123 177.300 -0.004 0.000 1.153 597 P CA 1.550 64.650 63.100 -0.000 0.000 0.853 597 P CB 0.344 32.048 31.700 0.008 0.000 0.788 598 R N -2.822 117.673 120.500 -0.007 0.000 2.867 598 R HA 0.631 4.972 4.340 0.001 0.000 0.268 598 R C 0.933 177.225 176.300 -0.015 0.000 1.014 598 R CA -0.471 55.625 56.100 -0.006 0.000 0.946 598 R CB 0.800 31.100 30.300 0.001 0.000 1.208 598 R HN -0.227 nan 8.270 nan 0.000 0.477 599 A N 0.461 123.274 122.820 -0.011 0.000 1.972 599 A HA -0.161 4.159 4.320 0.001 0.000 0.219 599 A C 2.088 179.664 177.584 -0.014 0.000 1.169 599 A CA 1.817 53.845 52.037 -0.014 0.000 0.635 599 A CB -0.920 18.077 19.000 -0.006 0.000 0.810 599 A HN 0.909 nan 8.150 nan 0.000 0.446 600 C N -0.644 118.653 119.300 -0.005 0.000 2.435 600 C HA -0.075 4.386 4.460 0.001 0.000 0.279 600 C C 1.902 176.891 174.990 -0.002 0.000 1.321 600 C CA 1.209 60.228 59.018 0.001 0.000 1.752 600 C CB -0.986 26.760 27.740 0.010 0.000 1.959 600 C HN 0.572 nan 8.230 nan 0.000 0.500 601 D N 1.655 122.048 120.400 -0.011 0.000 2.137 601 D HA -0.064 4.577 4.640 0.001 0.000 0.202 601 D C 2.613 178.858 176.300 -0.091 0.000 0.970 601 D CA 1.998 55.984 54.000 -0.024 0.000 0.837 601 D CB -0.381 40.411 40.800 -0.012 0.000 0.981 601 D HN 0.768 nan 8.370 nan 0.000 0.475 602 S N 0.975 116.623 115.700 -0.087 0.000 2.402 602 S HA -0.041 4.430 4.470 0.001 0.000 0.229 602 S C 2.174 176.713 174.600 -0.102 0.000 1.021 602 S CA 1.050 59.178 58.200 -0.119 0.000 0.974 602 S CB -0.219 62.929 63.200 -0.087 0.000 0.800 602 S HN 0.208 nan 8.310 nan 0.000 0.484 603 A N 1.631 124.417 122.820 -0.057 0.000 1.930 603 A HA -0.048 4.273 4.320 0.001 0.000 0.217 603 A C 2.190 179.762 177.584 -0.020 0.000 1.175 603 A CA 1.429 53.447 52.037 -0.031 0.000 0.627 603 A CB -0.743 18.250 19.000 -0.011 0.000 0.815 603 A HN 0.663 nan 8.150 nan 0.000 0.443 604 E N -0.143 120.044 120.200 -0.022 0.000 2.106 604 E HA -0.121 4.230 4.350 0.001 0.000 0.192 604 E C 1.812 178.405 176.600 -0.013 0.000 0.984 604 E CA 1.383 57.803 56.400 0.033 0.000 0.806 604 E CB -0.042 29.709 29.700 0.084 0.000 0.750 604 E HN 0.375 nan 8.360 nan 0.000 0.458 605 V N 1.394 121.145 119.914 -0.272 0.000 2.453 605 V HA -0.187 3.933 4.120 0.001 0.000 0.247 605 V C 2.454 178.505 176.094 -0.071 0.000 1.048 605 V CA 1.551 63.566 62.300 -0.475 0.000 1.049 605 V CB -0.418 30.967 31.823 -0.730 0.000 0.672 605 V HN 0.207 nan 8.190 nan 0.000 0.457 606 K N 0.516 120.887 120.400 -0.048 0.000 2.057 606 K HA -0.139 4.182 4.320 0.001 0.000 0.206 606 K C 2.185 178.816 176.600 0.051 0.000 1.050 606 K CA 1.524 57.813 56.287 0.002 0.000 0.935 606 K CB -0.232 32.254 32.500 -0.024 0.000 0.715 606 K HN 0.429 nan 8.250 nan 0.000 0.439 607 A N 0.165 123.027 122.820 0.070 0.000 1.969 607 A HA -0.176 4.145 4.320 0.001 0.000 0.218 607 A C 1.864 179.531 177.584 0.138 0.000 1.169 607 A CA 1.130 53.216 52.037 0.082 0.000 0.635 607 A CB -0.859 18.191 19.000 0.083 0.000 0.810 607 A HN 0.672 nan 8.150 nan 0.000 0.445 608 W N 0.498 121.819 121.300 0.036 0.000 2.381 608 W HA -0.081 4.579 4.660 0.000 0.000 0.301 608 W C 1.600 178.151 176.519 0.054 0.000 1.205 608 W CA 1.683 59.079 57.345 0.084 0.000 1.285 608 W CB -0.158 29.442 29.460 0.233 0.000 1.133 608 W HN 0.237 nan 8.180 nan 0.000 0.521 609 L N 0.321 121.731 121.223 0.312 0.000 2.275 609 L HA -0.127 4.214 4.340 0.001 0.000 0.215 609 L C 2.029 178.909 176.870 0.017 0.000 1.119 609 L CA 1.289 56.234 54.840 0.175 0.000 0.790 609 L CB -0.605 41.578 42.059 0.207 0.000 0.919 609 L HN 0.018 nan 8.230 nan 0.000 0.443 610 E N -0.634 119.553 120.200 -0.021 0.000 2.299 610 E HA -0.037 4.313 4.350 0.001 0.000 0.193 610 E C 0.835 177.369 176.600 -0.110 0.000 0.998 610 E CA 0.434 56.788 56.400 -0.077 0.000 0.851 610 E CB 0.191 29.856 29.700 -0.057 0.000 0.795 610 E HN 0.477 nan 8.360 nan 0.000 0.492 611 T N -0.868 113.603 114.554 -0.138 0.000 2.898 611 T HA 0.027 4.377 4.350 0.001 0.000 0.301 611 T C 1.463 176.070 174.700 -0.155 0.000 1.049 611 T CA -0.015 61.988 62.100 -0.161 0.000 1.095 611 T CB 1.613 70.351 68.868 -0.217 0.000 0.976 611 T HN 0.019 nan 8.240 nan 0.000 0.539 612 S N 0.857 116.491 115.700 -0.110 0.000 2.399 612 S HA -0.150 4.321 4.470 0.001 0.000 0.231 612 S C 1.550 176.109 174.600 -0.070 0.000 1.022 612 S CA 0.937 59.107 58.200 -0.050 0.000 0.983 612 S CB -0.558 62.620 63.200 -0.038 0.000 0.803 612 S HN 0.794 nan 8.310 nan 0.000 0.480 613 E N 1.782 121.880 120.200 -0.169 0.000 2.072 613 E HA 0.159 4.509 4.350 0.001 0.000 0.190 613 E C 2.338 178.697 176.600 -0.401 0.000 0.982 613 E CA 1.029 57.299 56.400 -0.216 0.000 0.803 613 E CB -1.020 28.558 29.700 -0.203 0.000 0.755 613 E HN 0.608 nan 8.360 nan 0.000 0.453 614 G N 0.115 108.468 108.800 -0.746 0.000 2.402 614 G HA2 -0.264 3.696 3.960 0.001 0.000 0.216 614 G HA3 -0.264 3.696 3.960 0.001 0.000 0.216 614 G C 1.420 175.938 174.900 -0.637 0.000 1.162 614 G CA 0.495 44.719 45.100 -1.459 0.000 0.777 614 G HN 0.272 nan 8.290 nan 0.000 0.539 615 F N 2.420 122.127 119.950 -0.405 0.000 2.234 615 F HA 0.172 4.699 4.527 0.001 0.000 0.299 615 F C 2.646 178.390 175.800 -0.093 0.000 1.087 615 F CA 1.002 58.898 58.000 -0.172 0.000 1.340 615 F CB -0.111 38.806 39.000 -0.138 0.000 1.031 615 F HN 0.210 nan 8.300 nan 0.000 0.500 616 A N -0.358 122.360 122.820 -0.169 0.000 1.930 616 A HA -0.073 4.248 4.320 0.001 0.000 0.217 616 A C 2.266 179.762 177.584 -0.147 0.000 1.175 616 A CA 1.748 53.679 52.037 -0.177 0.000 0.627 616 A CB -1.238 17.725 19.000 -0.062 0.000 0.815 616 A HN 0.252 nan 8.150 nan 0.000 0.443 617 V N 0.394 120.249 119.914 -0.099 0.000 2.379 617 V HA -0.173 3.947 4.120 0.001 0.000 0.245 617 V C 2.336 178.482 176.094 0.087 0.000 1.044 617 V CA 1.427 63.752 62.300 0.041 0.000 1.036 617 V CB -0.518 31.386 31.823 0.135 0.000 0.664 617 V HN 0.499 nan 8.190 nan 0.000 0.453 618 I N 0.297 120.903 120.570 0.060 0.000 2.439 618 I HA -0.161 4.010 4.170 0.001 0.000 0.251 618 I C 2.375 178.516 176.117 0.040 0.000 1.139 618 I CA 1.507 62.893 61.300 0.144 0.000 1.438 618 I CB -0.997 37.142 38.000 0.232 0.000 1.085 618 I HN 0.377 nan 8.210 nan 0.000 0.427 619 K N 1.263 121.521 120.400 -0.237 0.000 2.148 619 K HA -0.201 4.120 4.320 0.001 0.000 0.204 619 K C 2.045 178.631 176.600 -0.024 0.000 1.050 619 K CA 1.233 57.365 56.287 -0.258 0.000 0.942 619 K CB 0.067 32.206 32.500 -0.602 0.000 0.724 619 K HN 0.244 nan 8.250 nan 0.000 0.446 620 E N -0.168 120.024 120.200 -0.014 0.000 2.072 620 E HA -0.167 4.183 4.350 0.001 0.000 0.191 620 E C 1.735 178.381 176.600 0.076 0.000 0.985 620 E CA 1.009 57.430 56.400 0.035 0.000 0.801 620 E CB -0.080 29.641 29.700 0.035 0.000 0.750 620 E HN 0.437 nan 8.360 nan 0.000 0.452 621 A N 0.373 123.258 122.820 0.108 0.000 1.897 621 A HA -0.132 4.189 4.320 0.001 0.000 0.215 621 A C 1.960 179.608 177.584 0.107 0.000 1.181 621 A CA 0.941 53.043 52.037 0.108 0.000 0.620 621 A CB -0.778 18.304 19.000 0.137 0.000 0.821 621 A HN 0.470 nan 8.150 nan 0.000 0.443 622 F N 1.150 121.110 119.950 0.017 0.000 2.102 622 F HA -0.179 4.348 4.527 0.001 0.000 0.298 622 F C 1.536 177.342 175.800 0.009 0.000 1.105 622 F CA 2.108 60.113 58.000 0.007 0.000 1.239 622 F CB -0.015 39.017 39.000 0.053 0.000 0.991 622 F HN 0.227 nan 8.300 nan 0.000 0.474 623 D N -0.587 119.969 120.400 0.261 0.000 2.312 623 D HA -0.101 4.539 4.640 0.001 0.000 0.211 623 D C 2.379 178.703 176.300 0.040 0.000 0.964 623 D CA 1.215 55.314 54.000 0.164 0.000 0.877 623 D CB -0.443 40.443 40.800 0.143 0.000 0.924 623 D HN 0.360 nan 8.370 nan 0.000 0.515 624 S N -0.439 115.271 115.700 0.016 0.000 2.515 624 S HA -0.101 4.370 4.470 0.001 0.000 0.231 624 S C 1.853 176.426 174.600 -0.045 0.000 0.987 624 S CA 1.208 59.402 58.200 -0.011 0.000 0.936 624 S CB -0.553 62.648 63.200 0.001 0.000 0.766 624 S HN 0.307 nan 8.310 nan 0.000 0.528 625 T N -1.997 112.504 114.554 -0.089 0.000 3.054 625 T HA 0.292 4.643 4.350 0.001 0.000 0.259 625 T C 0.679 175.328 174.700 -0.085 0.000 1.092 625 T CA 0.413 62.445 62.100 -0.114 0.000 1.121 625 T CB -0.074 68.670 68.868 -0.207 0.000 0.912 625 T HN 0.354 nan 8.240 nan 0.000 0.489 626 S N -0.884 114.777 115.700 -0.065 0.000 2.570 626 S HA 0.449 4.919 4.470 0.001 0.000 0.270 626 S C 0.461 175.031 174.600 -0.050 0.000 1.149 626 S CA -0.963 57.221 58.200 -0.027 0.000 0.837 626 S CB 1.547 64.764 63.200 0.029 0.000 1.124 626 S HN 0.208 nan 8.310 nan 0.000 0.465 627 R N 0.934 121.350 120.500 -0.141 0.000 2.092 627 R HA -0.011 4.330 4.340 0.001 0.000 0.231 627 R C 0.813 176.886 176.300 -0.379 0.000 1.119 627 R CA 1.669 57.558 56.100 -0.353 0.000 0.970 627 R CB -0.346 29.559 30.300 -0.658 0.000 0.864 627 R HN 0.655 nan 8.270 nan 0.000 0.440 628 F N 0.604 120.571 119.950 0.028 0.000 2.765 628 F HA 0.283 4.810 4.527 0.001 0.000 0.302 628 F C 0.999 176.846 175.800 0.078 0.000 1.111 628 F CA -0.483 57.543 58.000 0.044 0.000 1.359 628 F CB 0.210 39.232 39.000 0.036 0.000 1.097 628 F HN -0.105 nan 8.300 nan 0.000 0.577 629 A N 1.974 124.921 122.820 0.212 0.000 2.410 629 A HA 0.361 4.682 4.320 0.001 0.000 0.292 629 A C 0.381 178.120 177.584 0.258 0.000 1.232 629 A CA -0.140 52.054 52.037 0.261 0.000 0.893 629 A CB -0.108 18.993 19.000 0.169 0.000 1.131 629 A HN 0.300 nan 8.150 nan 0.000 0.530 630 R N 3.475 124.130 120.500 0.258 0.000 2.422 630 R HA 0.310 4.651 4.340 0.001 0.000 0.307 630 R C -1.551 174.830 176.300 0.135 0.000 1.004 630 R CA -0.757 55.450 56.100 0.178 0.000 0.882 630 R CB 0.995 31.373 30.300 0.131 0.000 1.164 630 R HN 0.680 nan 8.270 nan 0.000 0.489 631 L N 4.059 125.322 121.223 0.067 0.000 2.360 631 L HA 0.173 4.514 4.340 0.001 0.000 0.276 631 L C 0.001 176.925 176.870 0.090 0.000 1.121 631 L CA 0.560 55.333 54.840 -0.112 0.000 0.845 631 L CB 1.062 42.924 42.059 -0.328 0.000 1.143 631 L HN 0.570 nan 8.230 nan 0.000 0.452 632 Q N 3.034 122.884 119.800 0.083 0.000 2.222 632 Q HA 0.268 4.608 4.340 0.001 0.000 0.211 632 Q C -0.452 175.642 176.000 0.157 0.000 1.013 632 Q CA -0.811 55.066 55.803 0.124 0.000 0.993 632 Q CB 0.593 29.356 28.738 0.041 0.000 1.151 632 Q HN 0.492 nan 8.270 nan 0.000 0.544 633 K N 0.824 121.193 120.400 -0.052 0.000 2.489 633 K HA 0.009 4.329 4.320 0.001 0.000 0.278 633 K C -0.757 175.770 176.600 -0.121 0.000 1.000 633 K CA -0.022 56.089 56.287 -0.294 0.000 1.012 633 K CB 0.170 32.499 32.500 -0.285 0.000 0.903 633 K HN 0.368 nan 8.250 nan 0.000 0.485 634 L N 3.223 124.363 121.223 -0.139 0.000 2.464 634 L HA 0.140 4.481 4.340 0.001 0.000 0.264 634 L C 0.155 177.017 176.870 -0.013 0.000 1.199 634 L CA -0.141 54.656 54.840 -0.071 0.000 0.818 634 L CB 0.472 42.481 42.059 -0.084 0.000 1.102 634 L HN 0.733 nan 8.230 nan 0.000 0.473 635 H N 0.810 119.837 119.070 -0.071 0.000 2.953 635 H HA 0.318 4.875 4.556 0.001 0.000 0.290 635 H C -0.711 174.682 175.328 0.108 0.000 1.113 635 H CA -0.578 55.474 56.048 0.007 0.000 1.454 635 H CB 0.787 30.552 29.762 0.004 0.000 1.525 635 H HN 0.667 nan 8.280 nan 0.000 0.505 636 T N 1.261 115.811 114.554 -0.006 0.000 2.945 636 T HA 0.717 5.067 4.350 0.001 0.000 0.286 636 T C -0.344 174.345 174.700 -0.018 0.000 1.025 636 T CA -0.985 61.133 62.100 0.031 0.000 1.039 636 T CB 1.861 70.716 68.868 -0.020 0.000 1.068 636 T HN 0.404 nan 8.240 nan 0.000 0.497 637 S N 0.790 116.471 115.700 -0.032 0.000 2.626 637 S HA 0.438 4.909 4.470 0.001 0.000 0.275 637 S C -0.729 173.863 174.600 -0.014 0.000 1.175 637 S CA -0.718 57.449 58.200 -0.055 0.000 0.982 637 S CB 0.683 63.824 63.200 -0.098 0.000 1.093 637 S HN 0.740 nan 8.310 nan 0.000 0.472 638 I N 2.482 123.051 120.570 -0.001 0.000 2.499 638 I HA 0.630 4.800 4.170 0.001 0.000 0.296 638 I C 0.364 176.513 176.117 0.054 0.000 0.992 638 I CA -0.232 61.083 61.300 0.025 0.000 1.297 638 I CB 1.347 39.344 38.000 -0.005 0.000 1.410 638 I HN 0.742 nan 8.210 nan 0.000 0.507 639 A N 4.801 127.680 122.820 0.097 0.000 2.984 639 A HA 0.652 4.972 4.320 0.001 0.000 0.320 639 A C 0.279 177.901 177.584 0.062 0.000 1.142 639 A CA 0.109 52.201 52.037 0.091 0.000 0.772 639 A CB 0.110 19.210 19.000 0.167 0.000 1.195 639 A HN 1.092 nan 8.150 nan 0.000 0.459 640 G N 2.609 111.426 108.800 0.028 0.000 2.531 640 G HA2 -0.350 3.610 3.960 0.001 0.000 0.274 640 G HA3 -0.350 3.610 3.960 0.001 0.000 0.274 640 G C 1.117 176.016 174.900 -0.002 0.000 1.159 640 G CA 0.692 45.800 45.100 0.013 0.000 0.969 640 G HN 1.573 nan 8.290 nan 0.000 0.554 641 R N 1.456 121.950 120.500 -0.009 0.000 2.307 641 R HA 0.106 4.446 4.340 0.001 0.000 0.199 641 R C 0.317 176.583 176.300 -0.057 0.000 1.000 641 R CA 0.803 56.886 56.100 -0.029 0.000 1.023 641 R CB -0.361 29.925 30.300 -0.023 0.000 0.908 641 R HN 0.405 nan 8.270 nan 0.000 0.473 642 N N 1.373 120.040 118.700 -0.054 0.000 2.503 642 N HA 0.206 4.946 4.740 0.001 0.000 0.267 642 N C -1.152 174.263 175.510 -0.159 0.000 1.214 642 N CA -0.359 52.606 53.050 -0.142 0.000 0.959 642 N CB 1.271 39.684 38.487 -0.123 0.000 1.142 642 N HN 0.114 nan 8.380 nan 0.000 0.455 643 L N 2.231 123.277 121.223 -0.294 0.000 2.439 643 L HA 0.412 4.752 4.340 0.001 0.000 0.270 643 L C -1.880 174.772 176.870 -0.364 0.000 0.972 643 L CA -0.629 54.081 54.840 -0.216 0.000 0.836 643 L CB 0.784 42.756 42.059 -0.144 0.000 1.255 643 L HN 0.426 nan 8.230 nan 0.000 0.404 644 Y N 5.872 126.051 120.300 -0.201 0.000 2.353 644 Y HA 0.598 5.149 4.550 0.001 0.000 0.340 644 Y C -0.049 175.768 175.900 -0.138 0.000 0.972 644 Y CA -0.392 57.545 58.100 -0.271 0.000 1.157 644 Y CB 1.091 39.090 38.460 -0.769 0.000 1.157 644 Y HN 0.406 nan 8.280 nan 0.000 0.495 645 I N 4.196 124.858 120.570 0.152 0.000 2.378 645 I HA 0.417 4.588 4.170 0.001 0.000 0.291 645 I C -0.090 176.173 176.117 0.244 0.000 0.992 645 I CA -0.806 60.564 61.300 0.116 0.000 1.154 645 I CB 1.571 39.566 38.000 -0.009 0.000 1.315 645 I HN 0.448 nan 8.210 nan 0.000 0.448 646 R N 6.370 127.002 120.500 0.220 0.000 2.278 646 R HA 0.426 4.767 4.340 0.001 0.000 0.322 646 R C -1.295 175.021 176.300 0.028 0.000 1.058 646 R CA -0.566 55.668 56.100 0.223 0.000 0.991 646 R CB 0.416 30.828 30.300 0.186 0.000 1.140 646 R HN 0.361 nan 8.270 nan 0.000 0.518 647 F N 2.264 122.291 119.950 0.129 0.000 2.443 647 F HA 0.216 4.744 4.527 0.001 0.000 0.353 647 F C 0.660 176.461 175.800 0.002 0.000 1.101 647 F CA 0.240 58.256 58.000 0.028 0.000 1.226 647 F CB 1.192 40.242 39.000 0.083 0.000 1.140 647 F HN 0.390 nan 8.300 nan 0.000 0.557 648 Q N 2.164 122.007 119.800 0.072 0.000 2.331 648 Q HA 0.628 4.968 4.340 0.001 0.000 0.272 648 Q C -1.343 174.670 176.000 0.021 0.000 1.062 648 Q CA -0.607 55.230 55.803 0.057 0.000 0.806 648 Q CB 2.160 30.908 28.738 0.018 0.000 1.312 648 Q HN 0.719 nan 8.270 nan 0.000 0.431 649 S N 2.495 118.254 115.700 0.099 0.000 2.558 649 S HA 0.482 4.953 4.470 0.001 0.000 0.277 649 S C -1.393 173.295 174.600 0.147 0.000 1.143 649 S CA -0.768 57.514 58.200 0.136 0.000 0.865 649 S CB 1.224 64.582 63.200 0.263 0.000 1.102 649 S HN 0.746 nan 8.310 nan 0.000 0.454 650 R N 1.228 121.807 120.500 0.131 0.000 2.784 650 R HA 0.388 4.728 4.340 0.001 0.000 0.266 650 R C 0.441 176.825 176.300 0.139 0.000 1.044 650 R CA 0.620 56.787 56.100 0.111 0.000 1.151 650 R CB 0.396 30.759 30.300 0.106 0.000 1.037 650 R HN 0.777 nan 8.270 nan 0.000 0.478 651 S N -0.475 115.267 115.700 0.069 0.000 2.941 651 S HA 0.268 4.738 4.470 0.001 0.000 0.248 651 S C 0.722 175.196 174.600 -0.210 0.000 0.962 651 S CA -0.277 57.939 58.200 0.026 0.000 1.092 651 S CB 0.681 63.891 63.200 0.017 0.000 1.113 651 S HN 1.077 nan 8.310 nan 0.000 0.512 652 G N 3.062 111.706 108.800 -0.260 0.000 2.611 652 G HA2 -0.339 3.621 3.960 0.001 0.000 0.301 652 G HA3 -0.339 3.621 3.960 0.001 0.000 0.301 652 G C 0.187 174.880 174.900 -0.345 0.000 1.233 652 G CA 0.854 45.602 45.100 -0.586 0.000 0.993 652 G HN 0.489 nan 8.290 nan 0.000 0.553 653 D N 1.852 122.017 120.400 -0.390 0.000 2.349 653 D HA 0.397 5.037 4.640 0.001 0.000 0.214 653 D C 1.459 177.648 176.300 -0.185 0.000 1.063 653 D CA 0.779 54.649 54.000 -0.217 0.000 0.847 653 D CB 0.168 40.865 40.800 -0.171 0.000 0.933 653 D HN 0.746 nan 8.370 nan 0.000 0.513 654 A N 1.202 123.891 122.820 -0.219 0.000 2.386 654 A HA 0.129 4.450 4.320 0.001 0.000 0.248 654 A C 1.392 178.915 177.584 -0.101 0.000 1.082 654 A CA -0.315 51.636 52.037 -0.143 0.000 0.789 654 A CB 0.801 19.722 19.000 -0.132 0.000 1.025 654 A HN 0.003 nan 8.150 nan 0.000 0.490 655 M N 1.345 120.898 119.600 -0.078 0.000 2.159 655 M HA -0.048 4.433 4.480 0.001 0.000 0.263 655 M C 1.357 177.643 176.300 -0.023 0.000 1.063 655 M CA 2.556 57.823 55.300 -0.054 0.000 1.110 655 M CB -0.805 31.762 32.600 -0.055 0.000 1.374 655 M HN 1.697 nan 8.290 nan 0.000 0.411 656 G N -0.391 108.397 108.800 -0.020 0.000 2.141 656 G HA2 -0.225 3.736 3.960 0.001 0.000 0.231 656 G HA3 -0.225 3.736 3.960 0.001 0.000 0.231 656 G C 0.778 175.695 174.900 0.029 0.000 0.984 656 G CA 0.572 45.675 45.100 0.007 0.000 0.660 656 G HN 0.403 nan 8.290 nan 0.000 0.525 657 M N 0.240 119.853 119.600 0.021 0.000 2.132 657 M HA -0.028 4.452 4.480 0.001 0.000 0.263 657 M C 2.337 178.651 176.300 0.023 0.000 1.065 657 M CA 1.602 56.921 55.300 0.032 0.000 1.122 657 M CB -0.732 31.885 32.600 0.028 0.000 1.365 657 M HN 0.354 nan 8.290 nan 0.000 0.411 658 N N -0.159 118.546 118.700 0.008 0.000 2.216 658 N HA -0.117 4.624 4.740 0.001 0.000 0.183 658 N C 1.715 177.214 175.510 -0.019 0.000 1.017 658 N CA 0.987 54.034 53.050 -0.004 0.000 0.861 658 N CB -0.242 38.243 38.487 -0.005 0.000 0.986 658 N HN 0.398 nan 8.380 nan 0.000 0.428 659 M N 0.532 120.126 119.600 -0.010 0.000 2.132 659 M HA -0.056 4.425 4.480 0.001 0.000 0.263 659 M C 1.432 177.690 176.300 -0.070 0.000 1.065 659 M CA 1.151 56.437 55.300 -0.025 0.000 1.122 659 M CB 0.105 32.719 32.600 0.022 0.000 1.365 659 M HN -0.036 nan 8.290 nan 0.000 0.411 660 I N -0.259 120.315 120.570 0.007 0.000 2.546 660 I HA -0.149 4.022 4.170 0.001 0.000 0.255 660 I C 2.219 178.329 176.117 -0.011 0.000 1.163 660 I CA 0.902 62.247 61.300 0.074 0.000 1.457 660 I CB -1.169 36.955 38.000 0.207 0.000 1.092 660 I HN 0.264 nan 8.210 nan 0.000 0.434 661 S N 0.666 116.350 115.700 -0.027 0.000 2.387 661 S HA -0.159 4.312 4.470 0.001 0.000 0.226 661 S C 2.018 176.548 174.600 -0.117 0.000 1.026 661 S CA 1.084 59.257 58.200 -0.044 0.000 0.972 661 S CB -0.042 63.149 63.200 -0.016 0.000 0.814 661 S HN 0.386 nan 8.310 nan 0.000 0.477 662 K N 1.030 121.343 120.400 -0.145 0.000 2.097 662 K HA -0.039 4.282 4.320 0.001 0.000 0.205 662 K C 2.169 178.593 176.600 -0.292 0.000 1.050 662 K CA 1.167 57.350 56.287 -0.173 0.000 0.938 662 K CB -0.475 31.942 32.500 -0.138 0.000 0.718 662 K HN 0.357 nan 8.250 nan 0.000 0.442 663 G N -0.401 108.090 108.800 -0.516 0.000 2.422 663 G HA2 -0.177 3.783 3.960 0.001 0.000 0.218 663 G HA3 -0.177 3.783 3.960 0.001 0.000 0.218 663 G C 1.351 175.835 174.900 -0.693 0.000 1.140 663 G CA 1.134 45.642 45.100 -0.987 0.000 0.775 663 G HN 0.304 nan 8.290 nan 0.000 0.545 664 T N 0.656 114.947 114.554 -0.438 0.000 2.821 664 T HA -0.025 4.326 4.350 0.001 0.000 0.267 664 T C 2.163 176.679 174.700 -0.307 0.000 1.046 664 T CA 1.308 63.132 62.100 -0.461 0.000 1.139 664 T CB -0.074 68.603 68.868 -0.318 0.000 0.871 664 T HN 0.438 nan 8.240 nan 0.000 0.454 665 E N 0.690 120.771 120.200 -0.197 0.000 2.072 665 E HA -0.124 4.227 4.350 0.001 0.000 0.191 665 E C 2.227 178.776 176.600 -0.086 0.000 0.985 665 E CA 0.983 57.313 56.400 -0.116 0.000 0.801 665 E CB -0.044 29.600 29.700 -0.094 0.000 0.750 665 E HN 0.239 nan 8.360 nan 0.000 0.452 666 K N 0.572 120.909 120.400 -0.106 0.000 2.155 666 K HA -0.047 4.274 4.320 0.001 0.000 0.203 666 K C 1.797 178.409 176.600 0.020 0.000 1.052 666 K CA 1.015 57.273 56.287 -0.047 0.000 0.948 666 K CB -0.010 32.446 32.500 -0.073 0.000 0.728 666 K HN 0.088 nan 8.250 nan 0.000 0.448 667 A N 0.302 123.131 122.820 0.014 0.000 1.929 667 A HA -0.033 4.288 4.320 0.001 0.000 0.216 667 A C 1.974 179.677 177.584 0.197 0.000 1.176 667 A CA 1.064 53.192 52.037 0.153 0.000 0.628 667 A CB -0.459 18.658 19.000 0.195 0.000 0.816 667 A HN 0.277 nan 8.150 nan 0.000 0.444 668 L N -0.879 120.408 121.223 0.107 0.000 2.240 668 L HA -0.062 4.279 4.340 0.001 0.000 0.211 668 L C 2.763 179.716 176.870 0.138 0.000 1.106 668 L CA 1.116 56.046 54.840 0.151 0.000 0.793 668 L CB -0.235 41.874 42.059 0.084 0.000 0.927 668 L HN 0.453 nan 8.230 nan 0.000 0.446 669 S N 0.087 115.843 115.700 0.094 0.000 2.387 669 S HA -0.180 4.291 4.470 0.001 0.000 0.226 669 S C 2.036 176.734 174.600 0.164 0.000 1.026 669 S CA 1.320 59.579 58.200 0.098 0.000 0.972 669 S CB 0.051 63.278 63.200 0.045 0.000 0.814 669 S HN 0.197 nan 8.310 nan 0.000 0.477 670 K N 1.120 121.627 120.400 0.179 0.000 2.103 670 K HA 0.106 4.426 4.320 0.001 0.000 0.204 670 K C 1.848 178.639 176.600 0.317 0.000 1.052 670 K CA 0.955 57.381 56.287 0.233 0.000 0.945 670 K CB -0.761 31.891 32.500 0.253 0.000 0.722 670 K HN 0.361 nan 8.250 nan 0.000 0.443 671 L N 0.511 121.914 121.223 0.300 0.000 2.201 671 L HA -0.092 4.248 4.340 0.001 0.000 0.212 671 L C 2.188 179.225 176.870 0.278 0.000 1.105 671 L CA 1.771 56.779 54.840 0.280 0.000 0.775 671 L CB -0.581 41.640 42.059 0.269 0.000 0.913 671 L HN 0.448 nan 8.230 nan 0.000 0.440 672 H N -0.627 118.524 119.070 0.136 0.000 2.462 672 H HA -0.106 4.450 4.556 0.001 0.000 0.292 672 H C 1.743 177.088 175.328 0.028 0.000 1.049 672 H CA 1.449 57.549 56.048 0.087 0.000 1.334 672 H CB 0.500 30.295 29.762 0.054 0.000 1.404 672 H HN 0.526 nan 8.280 nan 0.000 0.544 673 E N -0.271 119.935 120.200 0.011 0.000 2.106 673 E HA -0.179 4.171 4.350 0.001 0.000 0.192 673 E C 1.577 177.961 176.600 -0.361 0.000 0.984 673 E CA 1.089 57.379 56.400 -0.183 0.000 0.806 673 E CB 0.000 29.585 29.700 -0.193 0.000 0.750 673 E HN 0.569 nan 8.360 nan 0.000 0.458 674 Y N -1.119 119.000 120.300 -0.302 0.000 2.420 674 Y HA 0.032 4.582 4.550 0.001 0.000 0.292 674 Y C 0.458 175.804 175.900 -0.923 0.000 1.119 674 Y CA 0.460 58.178 58.100 -0.637 0.000 1.229 674 Y CB 0.453 38.348 38.460 -0.942 0.000 1.026 674 Y HN -0.102 nan 8.280 nan 0.000 0.554 675 F N 0.861 120.706 119.950 -0.175 0.000 2.686 675 F HA 0.338 4.865 4.527 0.001 0.000 0.365 675 F C -1.983 173.663 175.800 -0.256 0.000 1.196 675 F CA -2.344 55.545 58.000 -0.185 0.000 1.198 675 F CB 1.234 40.135 39.000 -0.164 0.000 1.454 675 F HN -0.173 nan 8.300 nan 0.000 0.539 676 P HA -0.104 nan 4.420 nan 0.000 0.229 676 P C 0.664 177.854 177.300 -0.185 0.000 1.160 676 P CA 1.207 64.060 63.100 -0.412 0.000 0.777 676 P CB 0.364 31.899 31.700 -0.275 0.000 0.814 677 E N -0.952 119.231 120.200 -0.029 0.000 2.481 677 E HA 0.069 4.420 4.350 0.001 0.000 0.195 677 E C 1.017 177.663 176.600 0.076 0.000 1.047 677 E CA -0.209 56.211 56.400 0.033 0.000 0.867 677 E CB -0.093 29.627 29.700 0.034 0.000 0.858 677 E HN 0.304 nan 8.360 nan 0.000 0.513 678 M N 1.834 121.505 119.600 0.118 0.000 2.238 678 M HA -0.010 4.470 4.480 0.001 0.000 0.347 678 M C -0.290 176.122 176.300 0.185 0.000 1.173 678 M CA 0.500 55.883 55.300 0.138 0.000 1.147 678 M CB 0.691 33.391 32.600 0.166 0.000 1.547 678 M HN -0.147 nan 8.290 nan 0.000 0.455 679 Q N 5.420 125.265 119.800 0.075 0.000 2.327 679 Q HA 0.386 4.727 4.340 0.001 0.000 0.270 679 Q C -1.515 174.479 176.000 -0.011 0.000 1.022 679 Q CA -0.556 55.265 55.803 0.029 0.000 0.773 679 Q CB 1.117 29.863 28.738 0.014 0.000 1.251 679 Q HN 0.806 nan 8.270 nan 0.000 0.457 680 I N 5.625 126.172 120.570 -0.039 0.000 2.372 680 I HA -0.077 4.094 4.170 0.001 0.000 0.298 680 I C 1.038 177.134 176.117 -0.034 0.000 1.137 680 I CA -0.127 61.150 61.300 -0.038 0.000 1.314 680 I CB 0.445 38.412 38.000 -0.054 0.000 1.444 680 I HN 0.708 nan 8.210 nan 0.000 0.541 681 L N 6.945 128.147 121.223 -0.034 0.000 2.072 681 L HA 0.212 4.553 4.340 0.001 0.000 0.205 681 L C 0.895 177.759 176.870 -0.009 0.000 1.079 681 L CA 1.273 56.098 54.840 -0.025 0.000 0.752 681 L CB -0.052 41.985 42.059 -0.037 0.000 0.906 681 L HN 0.679 nan 8.230 nan 0.000 0.436 682 A N -2.842 119.977 122.820 -0.001 0.000 2.540 682 A HA 0.475 4.795 4.320 0.001 0.000 0.297 682 A C 0.472 178.080 177.584 0.039 0.000 1.056 682 A CA -0.199 51.851 52.037 0.022 0.000 0.700 682 A CB 0.646 19.671 19.000 0.041 0.000 1.280 682 A HN -0.157 nan 8.150 nan 0.000 0.398 683 V N 0.965 120.901 119.914 0.037 0.000 2.626 683 V HA -0.020 4.101 4.120 0.001 0.000 0.252 683 V C 1.348 177.497 176.094 0.091 0.000 1.067 683 V CA 2.296 64.626 62.300 0.049 0.000 1.081 683 V CB 0.066 31.901 31.823 0.020 0.000 0.686 683 V HN 0.864 nan 8.190 nan 0.000 0.468 684 S N 0.225 115.980 115.700 0.092 0.000 2.566 684 S HA 0.573 5.043 4.470 0.001 0.000 0.324 684 S C 0.615 175.302 174.600 0.144 0.000 1.081 684 S CA -0.109 58.168 58.200 0.127 0.000 1.105 684 S CB 1.185 64.447 63.200 0.103 0.000 0.981 684 S HN 0.389 nan 8.310 nan 0.000 0.464 685 G N 3.190 112.115 108.800 0.208 0.000 3.609 685 G HA2 0.194 4.155 3.960 0.001 0.000 0.280 685 G HA3 0.194 4.155 3.960 0.001 0.000 0.280 685 G C 0.404 175.487 174.900 0.305 0.000 1.155 685 G CA -0.614 44.646 45.100 0.266 0.000 0.876 685 G HN 0.816 nan 8.290 nan 0.000 0.535 686 N N -1.481 117.354 118.700 0.223 0.000 2.741 686 N HA -0.233 4.508 4.740 0.001 0.000 0.251 686 N C 0.244 175.890 175.510 0.227 0.000 1.112 686 N CA 0.761 53.919 53.050 0.180 0.000 0.750 686 N CB -1.554 37.011 38.487 0.130 0.000 1.119 686 N HN 0.532 nan 8.380 nan 0.000 0.561 687 Y N -0.527 119.850 120.300 0.128 0.000 2.485 687 Y HA 0.253 4.804 4.550 0.001 0.000 0.260 687 Y C 1.656 177.614 175.900 0.097 0.000 1.173 687 Y CA -0.207 57.958 58.100 0.107 0.000 1.252 687 Y CB 0.024 38.604 38.460 0.200 0.000 1.123 687 Y HN 0.357 nan 8.280 nan 0.000 0.524 688 C N -0.988 118.374 119.300 0.103 0.000 2.473 688 C HA -0.009 4.452 4.460 0.001 0.000 0.279 688 C C 1.168 176.127 174.990 -0.051 0.000 1.250 688 C CA 0.842 59.888 59.018 0.046 0.000 1.713 688 C CB -1.136 26.659 27.740 0.090 0.000 2.066 688 C HN 0.305 nan 8.230 nan 0.000 0.474 689 T N 1.007 115.537 114.554 -0.039 0.000 2.824 689 T HA 0.388 4.739 4.350 0.001 0.000 0.280 689 T C -1.029 173.690 174.700 0.030 0.000 0.995 689 T CA 0.127 62.235 62.100 0.014 0.000 1.009 689 T CB 1.353 70.224 68.868 0.005 0.000 0.955 689 T HN 0.309 nan 8.240 nan 0.000 0.452 690 D N 1.980 122.409 120.400 0.049 0.000 2.280 690 D HA 0.316 4.957 4.640 0.001 0.000 0.236 690 D C 0.088 176.415 176.300 0.044 0.000 1.082 690 D CA -0.463 53.566 54.000 0.049 0.000 0.834 690 D CB 0.443 41.276 40.800 0.056 0.000 1.100 690 D HN 0.499 nan 8.370 nan 0.000 0.486 691 K N 0.825 121.249 120.400 0.040 0.000 3.209 691 K HA -0.234 4.087 4.320 0.001 0.000 0.289 691 K C -0.567 176.049 176.600 0.026 0.000 1.191 691 K CA 0.788 57.096 56.287 0.035 0.000 0.851 691 K CB -0.945 31.577 32.500 0.037 0.000 1.242 691 K HN 0.334 nan 8.250 nan 0.000 0.480 692 K N 0.080 120.494 120.400 0.024 0.000 2.435 692 K HA 0.382 4.703 4.320 0.001 0.000 0.251 692 K C -2.715 173.891 176.600 0.009 0.000 0.954 692 K CA -2.071 54.226 56.287 0.016 0.000 0.820 692 K CB 1.402 33.916 32.500 0.022 0.000 1.292 692 K HN -0.233 nan 8.250 nan 0.000 0.436 693 P HA 0.256 nan 4.420 nan 0.000 0.271 693 P C -1.415 175.883 177.300 -0.003 0.000 1.220 693 P CA -0.360 62.733 63.100 -0.012 0.000 0.768 693 P CB 0.986 32.666 31.700 -0.033 0.000 0.848 694 A N 2.421 125.245 122.820 0.007 0.000 2.513 694 A HA 0.553 4.874 4.320 0.001 0.000 0.296 694 A C 0.839 178.450 177.584 0.046 0.000 1.052 694 A CA -0.135 51.912 52.037 0.015 0.000 0.714 694 A CB 1.098 20.101 19.000 0.004 0.000 1.279 694 A HN 0.388 nan 8.150 nan 0.000 0.397 695 A N 1.926 124.779 122.820 0.055 0.000 2.019 695 A HA -0.036 4.284 4.320 0.001 0.000 0.219 695 A C 1.733 179.394 177.584 0.128 0.000 1.164 695 A CA 1.761 53.871 52.037 0.122 0.000 0.644 695 A CB -0.526 18.536 19.000 0.103 0.000 0.805 695 A HN 1.224 nan 8.150 nan 0.000 0.449 696 I N -0.224 120.363 120.570 0.028 0.000 2.286 696 I HA -0.254 3.916 4.170 0.001 0.000 0.248 696 I C 1.779 177.855 176.117 -0.069 0.000 1.115 696 I CA 1.463 62.724 61.300 -0.066 0.000 1.392 696 I CB -0.143 37.714 38.000 -0.239 0.000 1.065 696 I HN 0.276 nan 8.210 nan 0.000 0.418 697 N N 0.374 119.068 118.700 -0.009 0.000 2.188 697 N HA -0.240 4.501 4.740 0.001 0.000 0.184 697 N C 1.463 177.032 175.510 0.098 0.000 1.018 697 N CA 1.307 54.368 53.050 0.018 0.000 0.858 697 N CB -0.561 37.954 38.487 0.046 0.000 0.989 697 N HN 0.617 nan 8.380 nan 0.000 0.426 698 W N 1.300 122.577 121.300 -0.038 0.000 2.388 698 W HA -0.021 4.640 4.660 0.001 0.000 0.294 698 W C 1.329 177.836 176.519 -0.020 0.000 1.212 698 W CA 0.746 58.083 57.345 -0.014 0.000 1.271 698 W CB -0.011 29.455 29.460 0.011 0.000 1.126 698 W HN -0.013 nan 8.180 nan 0.000 0.535 699 I N 0.265 120.817 120.570 -0.029 0.000 2.556 699 I HA -0.152 4.018 4.170 0.001 0.000 0.251 699 I C 2.198 178.233 176.117 -0.136 0.000 1.105 699 I CA 0.860 62.083 61.300 -0.127 0.000 1.436 699 I CB -0.418 37.590 38.000 0.014 0.000 1.139 699 I HN -0.256 nan 8.210 nan 0.000 0.438 700 E N 1.069 121.202 120.200 -0.113 0.000 2.318 700 E HA 0.196 4.546 4.350 0.001 0.000 0.193 700 E C 0.975 177.496 176.600 -0.131 0.000 0.998 700 E CA 0.643 56.962 56.400 -0.134 0.000 0.859 700 E CB 0.048 29.604 29.700 -0.240 0.000 0.812 700 E HN 0.394 nan 8.360 nan 0.000 0.492 701 G N 1.592 110.320 108.800 -0.121 0.000 2.733 701 G HA2 -0.235 3.725 3.960 0.001 0.000 0.686 701 G HA3 -0.235 3.725 3.960 0.001 0.000 0.686 701 G C -0.551 174.307 174.900 -0.070 0.000 1.373 701 G CA -0.131 44.914 45.100 -0.091 0.000 0.838 701 G HN 0.207 nan 8.290 nan 0.000 0.588 702 R N 0.939 121.419 120.500 -0.034 0.000 2.515 702 R HA 0.600 4.940 4.340 0.001 0.000 0.278 702 R C 1.020 177.324 176.300 0.007 0.000 1.107 702 R CA 0.812 56.902 56.100 -0.016 0.000 0.945 702 R CB 1.088 31.384 30.300 -0.008 0.000 1.219 702 R HN 2.782 nan 8.270 nan 0.000 0.434 703 G N 3.506 112.313 108.800 0.012 0.000 2.536 703 G HA2 -0.276 3.685 3.960 0.001 0.000 0.280 703 G HA3 -0.276 3.685 3.960 0.001 0.000 0.280 703 G C -1.113 173.790 174.900 0.006 0.000 1.152 703 G CA -0.043 45.067 45.100 0.016 0.000 0.970 703 G HN 0.488 nan 8.290 nan 0.000 0.549 704 K N 1.483 121.887 120.400 0.008 0.000 2.234 704 K HA 0.561 4.881 4.320 0.001 0.000 0.277 704 K C -0.346 176.249 176.600 -0.008 0.000 1.038 704 K CA -0.204 56.082 56.287 -0.002 0.000 0.888 704 K CB 1.494 33.994 32.500 -0.001 0.000 1.091 704 K HN 0.422 nan 8.250 nan 0.000 0.467 705 S N 1.795 117.480 115.700 -0.024 0.000 2.475 705 S HA 0.466 4.936 4.470 0.001 0.000 0.281 705 S C 0.002 174.580 174.600 -0.036 0.000 1.198 705 S CA -0.748 57.427 58.200 -0.042 0.000 1.063 705 S CB 0.946 64.106 63.200 -0.066 0.000 0.972 705 S HN 0.292 nan 8.310 nan 0.000 0.486 706 V N 2.982 122.875 119.914 -0.035 0.000 3.049 706 V HA 0.698 4.819 4.120 0.001 0.000 0.309 706 V C -0.692 175.384 176.094 -0.029 0.000 1.148 706 V CA -0.776 61.508 62.300 -0.027 0.000 0.990 706 V CB 2.129 33.940 31.823 -0.021 0.000 1.039 706 V HN 0.595 nan 8.190 nan 0.000 0.430 707 V N 3.130 123.030 119.914 -0.023 0.000 2.760 707 V HA 0.793 4.913 4.120 0.001 0.000 0.309 707 V C -0.497 175.589 176.094 -0.013 0.000 1.077 707 V CA -0.294 61.996 62.300 -0.018 0.000 0.910 707 V CB 1.637 33.452 31.823 -0.013 0.000 1.008 707 V HN 1.296 nan 8.190 nan 0.000 0.424 708 C N 3.997 123.286 119.300 -0.020 0.000 2.719 708 C HA 1.055 5.515 4.460 0.001 0.000 0.327 708 C C -0.643 174.320 174.990 -0.045 0.000 1.238 708 C CA -0.513 58.491 59.018 -0.024 0.000 1.727 708 C CB 1.140 28.861 27.740 -0.032 0.000 2.256 708 C HN 1.103 nan 8.230 nan 0.000 0.489 709 E N 0.709 120.880 120.200 -0.049 0.000 2.407 709 E HA 0.768 5.119 4.350 0.001 0.000 0.279 709 E C -1.233 175.318 176.600 -0.082 0.000 1.012 709 E CA -0.769 55.560 56.400 -0.118 0.000 0.800 709 E CB 1.668 31.354 29.700 -0.023 0.000 1.276 709 E HN 1.619 nan 8.360 nan 0.000 0.452 710 A N 0.729 123.458 122.820 -0.151 0.000 2.601 710 A HA 0.622 4.943 4.320 0.001 0.000 0.291 710 A C -1.664 175.904 177.584 -0.028 0.000 1.075 710 A CA -0.728 51.280 52.037 -0.048 0.000 0.671 710 A CB 1.911 20.887 19.000 -0.040 0.000 1.277 710 A HN 0.400 nan 8.150 nan 0.000 0.417 711 V N 2.363 122.308 119.914 0.053 0.000 2.444 711 V HA 0.418 4.538 4.120 0.001 0.000 0.294 711 V C -0.837 175.286 176.094 0.047 0.000 1.022 711 V CA -0.468 61.884 62.300 0.086 0.000 0.850 711 V CB 1.392 33.294 31.823 0.130 0.000 0.992 711 V HN 0.642 nan 8.190 nan 0.000 0.426 712 I N 6.701 127.293 120.570 0.036 0.000 2.312 712 I HA 0.402 4.572 4.170 0.001 0.000 0.290 712 I C -2.282 173.854 176.117 0.031 0.000 1.008 712 I CA -2.923 58.392 61.300 0.026 0.000 1.226 712 I CB 1.132 39.141 38.000 0.016 0.000 1.371 712 I HN 0.333 nan 8.210 nan 0.000 0.468 713 P HA 0.022 nan 4.420 nan 0.000 0.267 713 P C 0.732 178.045 177.300 0.022 0.000 1.201 713 P CA 0.112 63.227 63.100 0.025 0.000 0.775 713 P CB 0.824 32.536 31.700 0.021 0.000 0.854 714 A N 3.452 126.284 122.820 0.021 0.000 1.940 714 A HA -0.244 4.077 4.320 0.001 0.000 0.219 714 A C 2.088 179.681 177.584 0.015 0.000 1.176 714 A CA 1.846 53.894 52.037 0.018 0.000 0.631 714 A CB -1.080 17.930 19.000 0.017 0.000 0.814 714 A HN 0.588 nan 8.150 nan 0.000 0.446 715 K N -0.344 120.064 120.400 0.014 0.000 2.097 715 K HA -0.088 4.232 4.320 0.001 0.000 0.206 715 K C 1.711 178.318 176.600 0.011 0.000 1.049 715 K CA 1.563 57.857 56.287 0.011 0.000 0.933 715 K CB -0.207 32.299 32.500 0.011 0.000 0.717 715 K HN 0.262 nan 8.250 nan 0.000 0.442 716 V N 0.600 120.521 119.914 0.013 0.000 2.515 716 V HA -0.177 3.943 4.120 0.001 0.000 0.250 716 V C 2.187 178.289 176.094 0.012 0.000 1.058 716 V CA 1.200 63.507 62.300 0.013 0.000 1.064 716 V CB 0.061 31.893 31.823 0.014 0.000 0.675 716 V HN 0.142 nan 8.190 nan 0.000 0.461 717 V N -0.164 119.757 119.914 0.013 0.000 2.427 717 V HA -0.206 3.915 4.120 0.001 0.000 0.248 717 V C 2.513 178.613 176.094 0.010 0.000 1.051 717 V CA 2.111 64.418 62.300 0.012 0.000 1.048 717 V CB -0.701 31.131 31.823 0.015 0.000 0.666 717 V HN 0.453 nan 8.190 nan 0.000 0.456 718 R N -0.224 120.282 120.500 0.010 0.000 2.062 718 R HA -0.094 4.246 4.340 0.001 0.000 0.226 718 R C 2.305 178.609 176.300 0.007 0.000 1.125 718 R CA 1.525 57.630 56.100 0.008 0.000 0.966 718 R CB 0.021 30.326 30.300 0.008 0.000 0.861 718 R HN 0.604 nan 8.270 nan 0.000 0.433 719 E N -0.770 119.435 120.200 0.007 0.000 2.102 719 E HA -0.062 4.289 4.350 0.001 0.000 0.190 719 E C 1.919 178.523 176.600 0.007 0.000 0.971 719 E CA 0.893 57.297 56.400 0.007 0.000 0.821 719 E CB 0.371 30.075 29.700 0.007 0.000 0.777 719 E HN 0.107 nan 8.360 nan 0.000 0.460 720 V N 1.224 121.142 119.914 0.008 0.000 2.331 720 V HA -0.114 4.006 4.120 0.001 0.000 0.242 720 V C 2.054 178.153 176.094 0.008 0.000 1.034 720 V CA 1.168 63.473 62.300 0.008 0.000 1.027 720 V CB -0.201 31.628 31.823 0.010 0.000 0.667 720 V HN 0.204 nan 8.190 nan 0.000 0.457 721 L N -0.249 120.978 121.223 0.008 0.000 2.567 721 L HA 0.183 4.523 4.340 0.001 0.000 0.225 721 L C 0.639 177.512 176.870 0.005 0.000 1.119 721 L CA 0.019 54.864 54.840 0.007 0.000 0.871 721 L CB -0.145 41.919 42.059 0.009 0.000 1.036 721 L HN 0.254 nan 8.230 nan 0.000 0.459 722 K N 0.624 121.027 120.400 0.005 0.000 3.096 722 K HA -0.184 4.136 4.320 0.001 0.000 0.266 722 K C 0.126 176.728 176.600 0.003 0.000 1.043 722 K CA 0.954 57.243 56.287 0.003 0.000 0.758 722 K CB -2.334 30.166 32.500 0.001 0.000 1.260 722 K HN 0.462 nan 8.250 nan 0.000 0.481 723 T N -1.711 112.845 114.554 0.005 0.000 2.637 723 T HA 0.582 4.932 4.350 0.001 0.000 0.303 723 T C -1.088 173.616 174.700 0.008 0.000 1.288 723 T CA 0.271 62.374 62.100 0.005 0.000 1.040 723 T CB 1.656 70.527 68.868 0.005 0.000 1.644 723 T HN 0.276 nan 8.240 nan 0.000 0.480 724 T N -1.226 113.333 114.554 0.009 0.000 2.926 724 T HA 0.498 4.849 4.350 0.001 0.000 0.289 724 T C 1.024 175.733 174.700 0.014 0.000 1.054 724 T CA -0.281 61.825 62.100 0.011 0.000 1.015 724 T CB 1.057 69.931 68.868 0.010 0.000 1.167 724 T HN 0.448 nan 8.240 nan 0.000 0.526 725 T N 0.185 114.749 114.554 0.018 0.000 2.821 725 T HA -0.057 4.293 4.350 0.001 0.000 0.267 725 T C 1.670 176.384 174.700 0.023 0.000 1.046 725 T CA 1.563 63.676 62.100 0.023 0.000 1.139 725 T CB -0.332 68.552 68.868 0.028 0.000 0.871 725 T HN 0.809 nan 8.240 nan 0.000 0.454 726 E N 0.695 120.907 120.200 0.019 0.000 2.077 726 E HA -0.101 4.249 4.350 0.001 0.000 0.193 726 E C 2.340 178.950 176.600 0.016 0.000 0.989 726 E CA 0.969 57.379 56.400 0.018 0.000 0.800 726 E CB -0.140 29.569 29.700 0.015 0.000 0.746 726 E HN 0.473 nan 8.360 nan 0.000 0.452 727 A N 0.688 123.517 122.820 0.014 0.000 1.968 727 A HA -0.123 4.197 4.320 0.001 0.000 0.217 727 A C 2.133 179.725 177.584 0.013 0.000 1.169 727 A CA 1.034 53.078 52.037 0.011 0.000 0.638 727 A CB -0.266 18.739 19.000 0.008 0.000 0.812 727 A HN 0.250 nan 8.150 nan 0.000 0.446 728 M N -0.600 119.009 119.600 0.015 0.000 2.132 728 M HA -0.018 4.462 4.480 0.001 0.000 0.263 728 M C 2.094 178.407 176.300 0.021 0.000 1.065 728 M CA 1.312 56.622 55.300 0.016 0.000 1.122 728 M CB -0.929 31.681 32.600 0.017 0.000 1.365 728 M HN 0.418 nan 8.290 nan 0.000 0.411 729 I N -0.362 120.223 120.570 0.025 0.000 2.315 729 I HA -0.238 3.933 4.170 0.001 0.000 0.248 729 I C 2.297 178.431 176.117 0.028 0.000 1.117 729 I CA 1.000 62.318 61.300 0.031 0.000 1.404 729 I CB -0.280 37.741 38.000 0.035 0.000 1.071 729 I HN 0.216 nan 8.210 nan 0.000 0.419 730 E N 0.547 120.761 120.200 0.022 0.000 2.106 730 E HA -0.135 4.215 4.350 0.001 0.000 0.192 730 E C 2.172 178.783 176.600 0.019 0.000 0.984 730 E CA 0.991 57.402 56.400 0.019 0.000 0.806 730 E CB 0.011 29.720 29.700 0.015 0.000 0.750 730 E HN 0.223 nan 8.360 nan 0.000 0.458 731 V N 0.842 120.766 119.914 0.017 0.000 2.453 731 V HA -0.191 3.930 4.120 0.001 0.000 0.247 731 V C 2.084 178.191 176.094 0.022 0.000 1.048 731 V CA 1.818 64.127 62.300 0.015 0.000 1.049 731 V CB -0.656 31.173 31.823 0.010 0.000 0.672 731 V HN 0.309 nan 8.190 nan 0.000 0.457 732 N N 0.281 118.998 118.700 0.028 0.000 2.142 732 N HA -0.100 4.641 4.740 0.001 0.000 0.186 732 N C 1.640 177.178 175.510 0.046 0.000 1.023 732 N CA 1.410 54.483 53.050 0.038 0.000 0.852 732 N CB -0.195 38.315 38.487 0.038 0.000 0.998 732 N HN 0.457 nan 8.380 nan 0.000 0.424 733 I N 0.269 120.864 120.570 0.041 0.000 2.179 733 I HA -0.215 3.955 4.170 0.001 0.000 0.242 733 I C 1.386 177.530 176.117 0.044 0.000 1.088 733 I CA 0.971 62.297 61.300 0.044 0.000 1.357 733 I CB -0.211 37.810 38.000 0.035 0.000 1.051 733 I HN 0.252 nan 8.210 nan 0.000 0.409 734 N N 0.130 118.850 118.700 0.033 0.000 2.353 734 N HA -0.064 4.676 4.740 0.001 0.000 0.185 734 N C 1.546 177.069 175.510 0.023 0.000 1.098 734 N CA 0.494 53.560 53.050 0.027 0.000 0.872 734 N CB 0.490 38.988 38.487 0.018 0.000 0.970 734 N HN 0.450 nan 8.380 nan 0.000 0.467 735 K N 0.761 121.176 120.400 0.025 0.000 2.267 735 K HA 0.135 4.455 4.320 0.001 0.000 0.213 735 K C 1.061 177.677 176.600 0.026 0.000 1.060 735 K CA 0.127 56.423 56.287 0.015 0.000 0.935 735 K CB 0.208 32.713 32.500 0.009 0.000 1.096 735 K HN -0.177 nan 8.250 nan 0.000 0.468 736 N N 1.065 119.794 118.700 0.050 0.000 2.331 736 N HA -0.030 4.710 4.740 0.001 0.000 0.180 736 N C 1.718 177.337 175.510 0.181 0.000 1.019 736 N CA 0.888 53.988 53.050 0.083 0.000 0.881 736 N CB 0.123 38.665 38.487 0.091 0.000 0.972 736 N HN 0.247 nan 8.380 nan 0.000 0.435 737 L N -0.951 120.372 121.223 0.166 0.000 2.416 737 L HA 0.136 4.476 4.340 0.001 0.000 0.188 737 L C 2.021 179.004 176.870 0.189 0.000 1.145 737 L CA 0.294 55.274 54.840 0.234 0.000 0.826 737 L CB -0.608 41.523 42.059 0.121 0.000 1.064 737 L HN -0.159 nan 8.230 nan 0.000 0.490 738 V N 0.656 120.630 119.914 0.100 0.000 2.358 738 V HA -0.124 3.996 4.120 0.001 0.000 0.246 738 V C 2.608 178.727 176.094 0.042 0.000 1.047 738 V CA 1.972 64.313 62.300 0.068 0.000 1.035 738 V CB -1.287 30.562 31.823 0.042 0.000 0.658 738 V HN 0.576 nan 8.190 nan 0.000 0.452 739 G N -0.282 108.532 108.800 0.024 0.000 2.421 739 G HA2 -0.244 3.717 3.960 0.001 0.000 0.216 739 G HA3 -0.244 3.717 3.960 0.001 0.000 0.216 739 G C 1.841 176.712 174.900 -0.049 0.000 1.171 739 G CA 1.223 46.317 45.100 -0.011 0.000 0.775 739 G HN 0.506 nan 8.290 nan 0.000 0.543 740 S N 0.985 116.636 115.700 -0.081 0.000 2.399 740 S HA 0.028 4.498 4.470 0.001 0.000 0.231 740 S C 2.730 177.207 174.600 -0.206 0.000 1.022 740 S CA 1.099 59.155 58.200 -0.239 0.000 0.983 740 S CB -0.284 62.615 63.200 -0.502 0.000 0.803 740 S HN 0.599 nan 8.310 nan 0.000 0.480 741 A N 1.784 124.592 122.820 -0.020 0.000 1.898 741 A HA -0.061 4.260 4.320 0.001 0.000 0.216 741 A C 2.044 179.627 177.584 -0.002 0.000 1.181 741 A CA 1.351 53.421 52.037 0.054 0.000 0.620 741 A CB -0.480 18.597 19.000 0.129 0.000 0.819 741 A HN 0.361 nan 8.150 nan 0.000 0.442 742 M N -0.289 119.304 119.600 -0.011 0.000 2.296 742 M HA 0.002 4.482 4.480 0.001 0.000 0.265 742 M C 2.237 178.514 176.300 -0.038 0.000 1.064 742 M CA 1.188 56.477 55.300 -0.018 0.000 1.109 742 M CB -1.538 31.053 32.600 -0.014 0.000 1.396 742 M HN 0.466 nan 8.290 nan 0.000 0.430 743 A N -0.588 122.192 122.820 -0.066 0.000 2.167 743 A HA 0.394 4.714 4.320 0.001 0.000 0.214 743 A C 1.549 179.079 177.584 -0.090 0.000 1.151 743 A CA 0.891 52.880 52.037 -0.081 0.000 0.735 743 A CB -0.768 18.168 19.000 -0.106 0.000 0.802 743 A HN 0.637 nan 8.150 nan 0.000 0.467 744 G N -0.341 108.406 108.800 -0.089 0.000 2.248 744 G HA2 -0.157 3.804 3.960 0.001 0.000 0.263 744 G HA3 -0.157 3.804 3.960 0.001 0.000 0.263 744 G C 0.156 174.977 174.900 -0.131 0.000 1.082 744 G CA 0.507 45.559 45.100 -0.081 0.000 0.863 744 G HN 0.995 nan 8.290 nan 0.000 0.495 745 S N -0.496 115.071 115.700 -0.221 0.000 2.562 745 S HA 0.734 5.205 4.470 0.001 0.000 0.275 745 S C 0.472 174.874 174.600 -0.331 0.000 1.281 745 S CA -0.770 57.225 58.200 -0.341 0.000 1.045 745 S CB 0.384 63.250 63.200 -0.557 0.000 0.962 745 S HN 0.402 nan 8.310 nan 0.000 0.503 746 I N 4.245 124.626 120.570 -0.314 0.000 2.390 746 I HA 0.377 4.548 4.170 0.001 0.000 0.283 746 I C 1.224 176.987 176.117 -0.590 0.000 1.016 746 I CA 0.091 61.185 61.300 -0.345 0.000 1.151 746 I CB 0.204 38.083 38.000 -0.201 0.000 1.293 746 I HN 1.021 nan 8.210 nan 0.000 0.458 747 G N 4.764 112.960 108.800 -1.007 0.000 2.176 747 G HA2 -0.209 3.752 3.960 0.001 0.000 0.253 747 G HA3 -0.209 3.752 3.960 0.001 0.000 0.253 747 G C 0.783 175.296 174.900 -0.645 0.000 0.979 747 G CA 0.022 44.254 45.100 -1.447 0.000 0.641 747 G HN 0.907 nan 8.290 nan 0.000 0.530 748 G N -0.243 108.221 108.800 -0.560 0.000 4.294 748 G HA2 0.481 4.441 3.960 0.001 0.000 0.301 748 G HA3 0.481 4.441 3.960 0.001 0.000 0.301 748 G C 0.076 174.726 174.900 -0.416 0.000 1.321 748 G CA -0.462 44.404 45.100 -0.391 0.000 1.190 748 G HN 0.381 nan 8.290 nan 0.000 0.600 749 Y N 1.629 121.837 120.300 -0.154 0.000 2.903 749 Y HA 0.244 4.795 4.550 0.001 0.000 0.387 749 Y C 0.724 176.619 175.900 -0.007 0.000 1.189 749 Y CA -0.866 57.199 58.100 -0.059 0.000 1.856 749 Y CB -0.377 38.073 38.460 -0.016 0.000 1.917 749 Y HN 0.570 nan 8.280 nan 0.000 0.448 750 N N -1.955 116.773 118.700 0.048 0.000 2.934 750 N HA 0.670 5.411 4.740 0.001 0.000 0.253 750 N C 0.136 175.666 175.510 0.034 0.000 1.466 750 N CA -0.514 52.568 53.050 0.054 0.000 0.858 750 N CB 0.751 39.267 38.487 0.048 0.000 1.459 750 N HN -0.057 nan 8.380 nan 0.000 0.532 751 A N -0.370 122.492 122.820 0.071 0.000 1.862 751 A HA 0.092 4.413 4.320 0.001 0.000 0.211 751 A C 0.725 178.407 177.584 0.163 0.000 1.220 751 A CA 1.663 53.759 52.037 0.098 0.000 0.616 751 A CB -0.973 18.106 19.000 0.131 0.000 0.878 751 A HN 1.006 nan 8.150 nan 0.000 0.453 752 H N -4.777 114.276 119.070 -0.028 0.000 3.345 752 H HA 0.648 5.204 4.556 0.001 0.000 0.215 752 H C 0.638 175.944 175.328 -0.036 0.000 1.368 752 H CA 0.132 56.159 56.048 -0.035 0.000 1.211 752 H CB -0.196 29.548 29.762 -0.031 0.000 2.467 752 H HN 0.252 nan 8.280 nan 0.000 0.530 753 A N 1.211 123.947 122.820 -0.140 0.000 1.948 753 A HA -0.124 4.197 4.320 0.001 0.000 0.220 753 A C 2.534 180.012 177.584 -0.177 0.000 1.177 753 A CA 1.950 53.881 52.037 -0.177 0.000 0.636 753 A CB -0.881 18.067 19.000 -0.085 0.000 0.815 753 A HN 0.781 nan 8.150 nan 0.000 0.449 754 A N -0.118 122.628 122.820 -0.124 0.000 2.019 754 A HA -0.182 4.138 4.320 0.001 0.000 0.219 754 A C 1.927 179.441 177.584 -0.116 0.000 1.164 754 A CA 1.721 53.686 52.037 -0.121 0.000 0.644 754 A CB -0.569 18.384 19.000 -0.079 0.000 0.805 754 A HN 0.543 nan 8.150 nan 0.000 0.449 755 N N -0.088 118.554 118.700 -0.096 0.000 2.120 755 N HA -0.112 4.629 4.740 0.001 0.000 0.188 755 N C 1.452 176.902 175.510 -0.100 0.000 1.024 755 N CA 1.500 54.518 53.050 -0.053 0.000 0.852 755 N CB -0.366 38.173 38.487 0.088 0.000 1.003 755 N HN 0.431 nan 8.380 nan 0.000 0.424 756 I N 0.147 120.606 120.570 -0.185 0.000 2.233 756 I HA -0.133 4.038 4.170 0.001 0.000 0.243 756 I C 2.205 178.247 176.117 -0.125 0.000 1.093 756 I CA 0.500 61.712 61.300 -0.145 0.000 1.380 756 I CB -0.494 37.397 38.000 -0.183 0.000 1.067 756 I HN -0.130 nan 8.210 nan 0.000 0.413 757 V N 0.192 119.991 119.914 -0.192 0.000 2.287 757 V HA -0.324 3.796 4.120 0.001 0.000 0.248 757 V C 2.461 178.345 176.094 -0.350 0.000 1.053 757 V CA 2.517 64.623 62.300 -0.324 0.000 1.027 757 V CB -1.096 30.460 31.823 -0.445 0.000 0.646 757 V HN 0.458 nan 8.190 nan 0.000 0.447 758 T N 0.184 114.600 114.554 -0.230 0.000 2.746 758 T HA -0.135 4.216 4.350 0.001 0.000 0.267 758 T C 2.026 176.725 174.700 -0.002 0.000 1.039 758 T CA 1.559 63.591 62.100 -0.113 0.000 1.142 758 T CB -0.390 68.434 68.868 -0.073 0.000 0.866 758 T HN 0.575 nan 8.240 nan 0.000 0.444 759 A N 1.068 123.883 122.820 -0.009 0.000 1.898 759 A HA 0.033 4.354 4.320 0.001 0.000 0.216 759 A C 2.262 179.881 177.584 0.059 0.000 1.181 759 A CA 1.100 53.151 52.037 0.025 0.000 0.620 759 A CB -0.688 18.318 19.000 0.010 0.000 0.819 759 A HN 0.516 nan 8.150 nan 0.000 0.442 760 I N -1.975 118.639 120.570 0.074 0.000 2.315 760 I HA -0.219 3.952 4.170 0.001 0.000 0.248 760 I C 2.318 178.555 176.117 0.199 0.000 1.117 760 I CA 1.035 62.405 61.300 0.116 0.000 1.404 760 I CB -0.344 37.725 38.000 0.115 0.000 1.071 760 I HN 0.315 nan 8.210 nan 0.000 0.419 761 Y N 0.837 121.128 120.300 -0.016 0.000 2.200 761 Y HA -0.170 4.380 4.550 0.001 0.000 0.290 761 Y C 2.412 178.309 175.900 -0.004 0.000 1.137 761 Y CA 1.146 59.239 58.100 -0.012 0.000 1.163 761 Y CB -0.608 37.846 38.460 -0.010 0.000 0.988 761 Y HN 0.075 nan 8.280 nan 0.000 0.518 762 I N -0.786 119.881 120.570 0.161 0.000 2.315 762 I HA -0.281 3.890 4.170 0.001 0.000 0.248 762 I C 2.495 178.647 176.117 0.057 0.000 1.117 762 I CA 1.178 62.531 61.300 0.089 0.000 1.404 762 I CB -0.544 37.500 38.000 0.073 0.000 1.071 762 I HN 0.114 nan 8.210 nan 0.000 0.419 763 A N -0.656 122.198 122.820 0.057 0.000 1.969 763 A HA -0.171 4.150 4.320 0.001 0.000 0.218 763 A C 2.023 179.618 177.584 0.018 0.000 1.169 763 A CA 1.338 53.397 52.037 0.036 0.000 0.635 763 A CB -0.769 18.254 19.000 0.037 0.000 0.810 763 A HN 0.563 nan 8.150 nan 0.000 0.445 764 C N -0.944 118.361 119.300 0.008 0.000 2.778 764 C HA 0.516 4.976 4.460 0.001 0.000 0.294 764 C C 1.706 176.663 174.990 -0.056 0.000 1.331 764 C CA -0.148 58.854 59.018 -0.027 0.000 1.741 764 C CB -1.036 26.680 27.740 -0.041 0.000 2.106 764 C HN 1.037 nan 8.230 nan 0.000 0.603 765 G N 1.432 110.211 108.800 -0.036 0.000 2.160 765 G HA2 -0.188 3.772 3.960 0.001 0.000 0.251 765 G HA3 -0.188 3.772 3.960 0.001 0.000 0.251 765 G C 0.012 174.864 174.900 -0.081 0.000 1.008 765 G CA 0.071 45.147 45.100 -0.041 0.000 0.724 765 G HN 0.516 nan 8.290 nan 0.000 0.514 766 Q N 0.088 119.807 119.800 -0.135 0.000 2.316 766 Q HA 0.329 4.670 4.340 0.001 0.000 0.215 766 Q C 0.023 175.975 176.000 -0.080 0.000 1.020 766 Q CA -0.553 55.105 55.803 -0.242 0.000 0.970 766 Q CB 0.537 28.847 28.738 -0.713 0.000 1.187 766 Q HN 0.322 nan 8.270 nan 0.000 0.546 767 D N 0.237 120.603 120.400 -0.056 0.000 2.374 767 D HA 0.203 4.843 4.640 0.001 0.000 0.240 767 D C 0.324 176.728 176.300 0.174 0.000 1.229 767 D CA -0.027 54.002 54.000 0.050 0.000 0.895 767 D CB 0.839 41.663 40.800 0.040 0.000 1.046 767 D HN 0.529 nan 8.370 nan 0.000 0.498 768 A N 3.760 126.675 122.820 0.159 0.000 2.067 768 A HA -0.046 4.275 4.320 0.001 0.000 0.219 768 A C 2.050 179.701 177.584 0.113 0.000 1.158 768 A CA 1.445 53.590 52.037 0.180 0.000 0.661 768 A CB -0.140 18.927 19.000 0.111 0.000 0.801 768 A HN 0.604 nan 8.150 nan 0.000 0.452 769 A N -0.635 122.238 122.820 0.089 0.000 2.067 769 A HA -0.142 4.178 4.320 0.001 0.000 0.219 769 A C 1.898 179.520 177.584 0.063 0.000 1.158 769 A CA 1.258 53.330 52.037 0.058 0.000 0.661 769 A CB -0.405 18.623 19.000 0.048 0.000 0.801 769 A HN 0.645 nan 8.150 nan 0.000 0.452 770 Q N -0.132 119.733 119.800 0.108 0.000 2.482 770 Q HA -0.106 4.235 4.340 0.001 0.000 0.209 770 Q C 1.318 177.362 176.000 0.072 0.000 0.961 770 Q CA 0.746 56.619 55.803 0.117 0.000 0.945 770 Q CB -0.381 28.462 28.738 0.175 0.000 1.012 770 Q HN 1.022 nan 8.270 nan 0.000 0.515 771 N N -1.252 117.445 118.700 -0.005 0.000 2.443 771 N HA -0.143 4.598 4.740 0.001 0.000 0.184 771 N C 1.390 176.852 175.510 -0.080 0.000 1.037 771 N CA 0.660 53.627 53.050 -0.138 0.000 0.896 771 N CB -0.072 38.315 38.487 -0.166 0.000 0.959 771 N HN -0.069 nan 8.380 nan 0.000 0.442 772 V N 0.563 120.459 119.914 -0.029 0.000 2.233 772 V HA -0.165 3.955 4.120 0.001 0.000 0.247 772 V C 2.529 178.614 176.094 -0.016 0.000 1.050 772 V CA 2.253 64.540 62.300 -0.022 0.000 1.010 772 V CB -1.113 30.708 31.823 -0.004 0.000 0.637 772 V HN 0.687 nan 8.190 nan 0.000 0.444 773 G N -1.683 107.122 108.800 0.008 0.000 2.492 773 G HA2 -0.100 3.860 3.960 0.001 0.000 0.214 773 G HA3 -0.100 3.860 3.960 0.001 0.000 0.214 773 G C 1.741 176.664 174.900 0.037 0.000 1.147 773 G CA 0.765 45.884 45.100 0.032 0.000 0.809 773 G HN 0.481 nan 8.290 nan 0.000 0.533 774 S N 1.186 116.894 115.700 0.013 0.000 2.423 774 S HA -0.115 4.356 4.470 0.001 0.000 0.231 774 S C 2.538 177.109 174.600 -0.049 0.000 1.014 774 S CA 1.439 59.639 58.200 -0.000 0.000 0.965 774 S CB -0.135 63.049 63.200 -0.027 0.000 0.785 774 S HN 0.577 nan 8.310 nan 0.000 0.495 775 S N 1.245 116.899 115.700 -0.076 0.000 2.603 775 S HA 0.113 4.584 4.470 0.001 0.000 0.220 775 S C 0.346 174.944 174.600 -0.004 0.000 0.967 775 S CA -0.371 57.783 58.200 -0.076 0.000 0.920 775 S CB -0.379 62.757 63.200 -0.108 0.000 0.773 775 S HN 0.239 nan 8.310 nan 0.000 0.529 776 N N 1.972 120.706 118.700 0.056 0.000 2.359 776 N HA 0.159 4.900 4.740 0.001 0.000 0.261 776 N C -0.701 174.967 175.510 0.264 0.000 1.267 776 N CA 0.333 53.482 53.050 0.165 0.000 0.864 776 N CB 0.455 39.143 38.487 0.335 0.000 1.063 776 N HN 0.475 nan 8.380 nan 0.000 0.474 777 C N 3.806 123.278 119.300 0.288 0.000 3.113 777 C HA 0.542 5.002 4.460 0.001 0.000 0.376 777 C C -0.867 174.320 174.990 0.329 0.000 1.077 777 C CA -0.998 58.186 59.018 0.276 0.000 1.253 777 C CB 0.380 28.186 27.740 0.111 0.000 1.637 777 C HN 0.760 nan 8.230 nan 0.000 0.535 778 I N 5.082 125.871 120.570 0.365 0.000 2.389 778 I HA 0.549 4.719 4.170 0.001 0.000 0.288 778 I C -0.140 176.071 176.117 0.157 0.000 0.999 778 I CA 0.360 61.843 61.300 0.304 0.000 1.129 778 I CB 1.759 39.967 38.000 0.345 0.000 1.288 778 I HN 0.758 nan 8.210 nan 0.000 0.444 779 T N 8.244 122.874 114.554 0.127 0.000 2.749 779 T HA 0.545 4.896 4.350 0.001 0.000 0.287 779 T C -0.300 174.436 174.700 0.060 0.000 0.970 779 T CA -0.344 61.797 62.100 0.068 0.000 0.980 779 T CB 0.784 69.686 68.868 0.056 0.000 0.924 779 T HN 0.360 nan 8.240 nan 0.000 0.456 780 L N 3.656 124.898 121.223 0.032 0.000 2.342 780 L HA 0.721 5.062 4.340 0.001 0.000 0.271 780 L C -0.299 176.586 176.870 0.024 0.000 1.008 780 L CA -0.894 53.972 54.840 0.044 0.000 0.818 780 L CB 1.887 43.988 42.059 0.069 0.000 1.296 780 L HN 0.423 nan 8.230 nan 0.000 0.427 781 M N 2.745 122.379 119.600 0.057 0.000 2.378 781 M HA 0.423 4.904 4.480 0.001 0.000 0.289 781 M C -1.201 175.163 176.300 0.107 0.000 1.136 781 M CA -0.452 54.886 55.300 0.063 0.000 0.917 781 M CB 2.973 35.594 32.600 0.035 0.000 1.669 781 M HN 0.687 nan 8.290 nan 0.000 0.461 782 E N 1.691 121.986 120.200 0.159 0.000 2.449 782 E HA 0.847 5.197 4.350 0.001 0.000 0.278 782 E C -1.475 175.197 176.600 0.121 0.000 0.992 782 E CA -1.223 55.254 56.400 0.127 0.000 0.807 782 E CB 1.731 31.503 29.700 0.120 0.000 1.350 782 E HN 0.650 nan 8.360 nan 0.000 0.462 783 A N 0.780 123.644 122.820 0.072 0.000 2.351 783 A HA 0.617 4.938 4.320 0.001 0.000 0.257 783 A C -0.140 177.473 177.584 0.048 0.000 1.087 783 A CA 0.010 52.081 52.037 0.057 0.000 0.798 783 A CB 1.102 20.122 19.000 0.034 0.000 1.033 783 A HN 0.454 nan 8.150 nan 0.000 0.488 784 S N -1.171 114.557 115.700 0.046 0.000 2.656 784 S HA 0.773 5.244 4.470 0.001 0.000 0.273 784 S C -0.096 174.518 174.600 0.023 0.000 1.168 784 S CA 0.714 58.932 58.200 0.029 0.000 0.817 784 S CB 1.145 64.382 63.200 0.063 0.000 1.146 784 S HN 2.772 nan 8.310 nan 0.000 0.475 785 G N 1.979 110.786 108.800 0.012 0.000 2.760 785 G HA2 -0.119 3.842 3.960 0.001 0.000 0.246 785 G HA3 -0.119 3.842 3.960 0.001 0.000 0.246 785 G C -2.057 172.846 174.900 0.004 0.000 1.359 785 G CA -0.074 45.033 45.100 0.011 0.000 0.861 785 G HN 0.588 nan 8.290 nan 0.000 0.541 786 P HA -0.012 nan 4.420 nan 0.000 0.218 786 P C 1.696 178.997 177.300 0.003 0.000 1.152 786 P CA 2.674 65.775 63.100 0.002 0.000 0.826 786 P CB -0.213 31.489 31.700 0.003 0.000 0.790 787 T N -5.180 109.377 114.554 0.006 0.000 3.107 787 T HA 0.162 4.513 4.350 0.001 0.000 0.249 787 T C 0.771 175.476 174.700 0.008 0.000 1.096 787 T CA 0.091 62.195 62.100 0.007 0.000 1.012 787 T CB -1.079 67.793 68.868 0.008 0.000 0.977 787 T HN -0.014 nan 8.240 nan 0.000 0.527 788 N N 1.070 119.776 118.700 0.010 0.000 2.747 788 N HA -0.164 4.577 4.740 0.001 0.000 0.249 788 N C 0.316 175.837 175.510 0.018 0.000 1.107 788 N CA 1.126 54.184 53.050 0.013 0.000 0.707 788 N CB -1.322 37.171 38.487 0.009 0.000 1.054 788 N HN 0.754 nan 8.380 nan 0.000 0.555 789 E N -1.195 119.017 120.200 0.020 0.000 2.490 789 E HA 0.077 4.427 4.350 0.001 0.000 0.209 789 E C -0.620 175.996 176.600 0.028 0.000 0.971 789 E CA -0.202 56.211 56.400 0.021 0.000 0.988 789 E CB 0.362 30.072 29.700 0.017 0.000 1.029 789 E HN 0.396 nan 8.360 nan 0.000 0.496 790 D N 1.042 121.462 120.400 0.034 0.000 2.264 790 D HA 0.150 4.790 4.640 0.001 0.000 0.249 790 D C -0.490 175.847 176.300 0.062 0.000 1.070 790 D CA -0.390 53.636 54.000 0.044 0.000 0.912 790 D CB 1.790 42.618 40.800 0.047 0.000 1.193 790 D HN -0.051 nan 8.370 nan 0.000 0.427 791 L N 3.136 124.397 121.223 0.063 0.000 2.272 791 L HA 0.206 4.546 4.340 0.001 0.000 0.284 791 L C -1.133 175.796 176.870 0.099 0.000 1.045 791 L CA -0.725 54.157 54.840 0.071 0.000 0.842 791 L CB 0.159 42.241 42.059 0.037 0.000 1.224 791 L HN 0.227 nan 8.230 nan 0.000 0.430 792 Y N 5.835 126.142 120.300 0.012 0.000 2.377 792 Y HA 0.467 5.018 4.550 0.001 0.000 0.330 792 Y C -0.482 175.427 175.900 0.015 0.000 1.108 792 Y CA -0.053 58.054 58.100 0.012 0.000 1.308 792 Y CB 0.689 39.154 38.460 0.010 0.000 1.216 792 Y HN 0.648 nan 8.280 nan 0.000 0.518 793 I N 5.752 125.946 120.570 -0.625 0.000 2.686 793 I HA 0.582 4.752 4.170 0.001 0.000 0.295 793 I C -1.415 174.304 176.117 -0.663 0.000 1.114 793 I CA -0.401 60.613 61.300 -0.478 0.000 1.038 793 I CB 1.739 39.617 38.000 -0.204 0.000 1.238 793 I HN 0.748 nan 8.210 nan 0.000 0.420 794 S N 5.595 121.061 115.700 -0.389 0.000 2.546 794 S HA 0.695 5.165 4.470 0.001 0.000 0.274 794 S C -1.279 173.266 174.600 -0.091 0.000 1.121 794 S CA -0.676 57.382 58.200 -0.236 0.000 0.887 794 S CB 1.451 64.561 63.200 -0.150 0.000 1.094 794 S HN 0.687 nan 8.310 nan 0.000 0.474 795 C N 2.066 121.333 119.300 -0.056 0.000 2.455 795 C HA 0.863 5.323 4.460 0.001 0.000 0.320 795 C C -0.085 174.905 174.990 -0.000 0.000 1.226 795 C CA -0.383 58.628 59.018 -0.011 0.000 1.569 795 C CB 1.287 29.018 27.740 -0.014 0.000 2.200 795 C HN 0.966 nan 8.230 nan 0.000 0.491 796 T N 4.300 118.870 114.554 0.026 0.000 2.809 796 T HA 0.532 4.883 4.350 0.001 0.000 0.284 796 T C -0.487 174.231 174.700 0.030 0.000 0.992 796 T CA -0.223 61.879 62.100 0.002 0.000 0.957 796 T CB 0.779 69.629 68.868 -0.029 0.000 0.942 796 T HN 0.568 nan 8.240 nan 0.000 0.439 797 M N 5.157 124.761 119.600 0.006 0.000 1.999 797 M HA 0.268 4.749 4.480 0.001 0.000 0.299 797 M C -1.921 174.376 176.300 -0.006 0.000 0.900 797 M CA -2.090 53.235 55.300 0.041 0.000 0.904 797 M CB 2.438 35.059 32.600 0.035 0.000 1.477 797 M HN 0.256 nan 8.290 nan 0.000 0.403 798 P HA -0.011 nan 4.420 nan 0.000 0.241 798 P C 0.182 177.462 177.300 -0.033 0.000 1.191 798 P CA 0.765 63.801 63.100 -0.106 0.000 0.771 798 P CB 0.207 31.742 31.700 -0.275 0.000 0.929 799 S N -1.241 114.476 115.700 0.029 0.000 2.598 799 S HA 0.326 4.796 4.470 0.001 0.000 0.209 799 S C -0.113 174.523 174.600 0.059 0.000 1.029 799 S CA -0.644 57.581 58.200 0.041 0.000 1.172 799 S CB -1.230 62.009 63.200 0.064 0.000 1.427 799 S HN -0.093 nan 8.310 nan 0.000 0.418 800 I N 2.466 123.070 120.570 0.056 0.000 2.406 800 I HA 0.156 4.326 4.170 0.001 0.000 0.293 800 I C 0.082 176.262 176.117 0.105 0.000 1.101 800 I CA 0.114 61.471 61.300 0.096 0.000 1.334 800 I CB 0.289 38.339 38.000 0.083 0.000 1.421 800 I HN 0.386 nan 8.210 nan 0.000 0.513 801 E N 7.484 127.773 120.200 0.149 0.000 2.089 801 E HA 0.608 4.959 4.350 0.001 0.000 0.284 801 E C -0.600 176.039 176.600 0.064 0.000 1.023 801 E CA -0.096 56.365 56.400 0.102 0.000 0.819 801 E CB 1.547 31.309 29.700 0.104 0.000 1.076 801 E HN 0.476 nan 8.360 nan 0.000 0.396 802 I N 1.610 122.163 120.570 -0.028 0.000 2.984 802 I HA 0.683 4.853 4.170 0.001 0.000 0.303 802 I C -0.955 175.088 176.117 -0.124 0.000 1.381 802 I CA -0.481 60.733 61.300 -0.143 0.000 0.988 802 I CB 2.134 40.069 38.000 -0.108 0.000 1.307 802 I HN 0.591 nan 8.210 nan 0.000 0.460 803 G N 0.930 109.633 108.800 -0.161 0.000 2.673 803 G HA2 0.444 4.405 3.960 0.001 0.000 0.292 803 G HA3 0.444 4.405 3.960 0.001 0.000 0.292 803 G C -0.431 174.393 174.900 -0.127 0.000 1.450 803 G CA 0.234 45.258 45.100 -0.127 0.000 0.837 803 G HN 0.609 nan 8.290 nan 0.000 0.505 804 T N -2.683 111.807 114.554 -0.106 0.000 3.084 804 T HA 0.457 4.808 4.350 0.001 0.000 0.270 804 T C 0.480 175.134 174.700 -0.077 0.000 1.008 804 T CA 0.599 62.646 62.100 -0.088 0.000 0.900 804 T CB -0.216 68.609 68.868 -0.071 0.000 1.084 804 T HN 1.577 nan 8.240 nan 0.000 0.538 805 V N -2.385 117.477 119.914 -0.086 0.000 2.962 805 V HA 0.959 5.080 4.120 0.001 0.000 0.313 805 V C 0.297 176.352 176.094 -0.066 0.000 1.099 805 V CA -0.347 61.910 62.300 -0.072 0.000 0.971 805 V CB 0.857 32.632 31.823 -0.080 0.000 1.028 805 V HN 0.907 nan 8.190 nan 0.000 0.430 806 G N 0.733 109.505 108.800 -0.046 0.000 2.758 806 G HA2 0.441 4.401 3.960 0.001 0.000 0.686 806 G HA3 0.441 4.401 3.960 0.001 0.000 0.686 806 G C 0.784 175.663 174.900 -0.035 0.000 1.389 806 G CA 0.191 45.269 45.100 -0.035 0.000 0.845 806 G HN 3.093 nan 8.290 nan 0.000 0.572 807 G N -0.222 108.565 108.800 -0.021 0.000 2.574 807 G HA2 0.181 4.141 3.960 0.001 0.000 0.286 807 G HA3 0.181 4.141 3.960 0.001 0.000 0.286 807 G C 1.906 176.798 174.900 -0.013 0.000 1.212 807 G CA 1.847 46.937 45.100 -0.016 0.000 0.979 807 G HN 2.522 nan 8.290 nan 0.000 0.557 808 G N -0.480 108.311 108.800 -0.015 0.000 2.598 808 G HA2 0.221 4.181 3.960 0.001 0.000 0.215 808 G HA3 0.221 4.181 3.960 0.001 0.000 0.215 808 G C 1.779 176.666 174.900 -0.022 0.000 1.131 808 G CA 2.191 47.286 45.100 -0.008 0.000 0.785 808 G HN 1.923 nan 8.290 nan 0.000 0.539 809 T N -2.295 112.236 114.554 -0.038 0.000 3.160 809 T HA 0.038 4.389 4.350 0.001 0.000 0.257 809 T C 1.805 176.483 174.700 -0.036 0.000 1.147 809 T CA 0.506 62.580 62.100 -0.043 0.000 1.064 809 T CB -0.144 68.688 68.868 -0.059 0.000 0.949 809 T HN 0.114 nan 8.240 nan 0.000 0.526 810 N N 0.825 119.507 118.700 -0.030 0.000 2.446 810 N HA 0.185 4.925 4.740 0.001 0.000 0.179 810 N C 0.326 175.813 175.510 -0.038 0.000 1.054 810 N CA 0.177 53.209 53.050 -0.030 0.000 0.905 810 N CB -0.052 38.422 38.487 -0.022 0.000 0.973 810 N HN 0.510 nan 8.380 nan 0.000 0.448 811 L N 1.103 122.305 121.223 -0.035 0.000 2.371 811 L HA 0.189 4.529 4.340 0.001 0.000 0.272 811 L C 1.787 178.619 176.870 -0.064 0.000 1.124 811 L CA -0.365 54.444 54.840 -0.052 0.000 0.816 811 L CB 1.125 43.174 42.059 -0.017 0.000 1.129 811 L HN -0.082 nan 8.230 nan 0.000 0.448 812 L N 2.482 123.645 121.223 -0.100 0.000 2.056 812 L HA -0.083 4.257 4.340 0.001 0.000 0.207 812 L C -0.422 176.405 176.870 -0.072 0.000 1.078 812 L CA 1.150 55.935 54.840 -0.091 0.000 0.749 812 L CB -1.336 40.651 42.059 -0.120 0.000 0.901 812 L HN 0.588 nan 8.230 nan 0.000 0.433 813 P HA -0.168 nan 4.420 nan 0.000 0.216 813 P C 1.408 178.694 177.300 -0.023 0.000 1.153 813 P CA 1.124 64.198 63.100 -0.044 0.000 0.848 813 P CB 0.086 31.768 31.700 -0.031 0.000 0.787 814 Q N -0.605 119.184 119.800 -0.020 0.000 2.167 814 Q HA -0.122 4.219 4.340 0.001 0.000 0.202 814 Q C 2.278 178.265 176.000 -0.022 0.000 0.970 814 Q CA 1.366 57.160 55.803 -0.015 0.000 0.855 814 Q CB -0.675 28.055 28.738 -0.014 0.000 0.911 814 Q HN 0.382 nan 8.270 nan 0.000 0.438 815 Q N -0.825 118.958 119.800 -0.029 0.000 2.291 815 Q HA -0.028 4.312 4.340 0.001 0.000 0.205 815 Q C 1.881 177.868 176.000 -0.020 0.000 0.970 815 Q CA 0.917 56.703 55.803 -0.028 0.000 0.876 815 Q CB -0.045 28.673 28.738 -0.034 0.000 0.935 815 Q HN 0.419 nan 8.270 nan 0.000 0.455 816 A N -0.006 122.802 122.820 -0.020 0.000 1.898 816 A HA -0.172 4.148 4.320 0.001 0.000 0.216 816 A C 2.209 179.791 177.584 -0.002 0.000 1.181 816 A CA 1.097 53.126 52.037 -0.013 0.000 0.620 816 A CB -0.739 18.251 19.000 -0.016 0.000 0.819 816 A HN 0.466 nan 8.150 nan 0.000 0.442 817 C N -0.848 118.452 119.300 -0.001 0.000 2.450 817 C HA 0.049 4.509 4.460 0.001 0.000 0.279 817 C C 2.596 177.592 174.990 0.009 0.000 1.335 817 C CA 0.785 59.808 59.018 0.008 0.000 1.749 817 C CB -1.429 26.316 27.740 0.008 0.000 1.963 817 C HN 0.616 nan 8.230 nan 0.000 0.501 818 L N 0.110 121.332 121.223 -0.002 0.000 2.141 818 L HA -0.185 4.155 4.340 0.001 0.000 0.209 818 L C 2.726 179.603 176.870 0.012 0.000 1.094 818 L CA 1.390 56.228 54.840 -0.003 0.000 0.763 818 L CB -0.643 41.404 42.059 -0.019 0.000 0.908 818 L HN 0.427 nan 8.230 nan 0.000 0.437 819 Q N -0.679 119.126 119.800 0.009 0.000 2.230 819 Q HA -0.153 4.188 4.340 0.001 0.000 0.202 819 Q C 2.321 178.338 176.000 0.028 0.000 0.963 819 Q CA 1.163 56.975 55.803 0.014 0.000 0.866 819 Q CB -0.016 28.724 28.738 0.003 0.000 0.931 819 Q HN 0.532 nan 8.270 nan 0.000 0.452 820 M N 0.026 119.646 119.600 0.033 0.000 2.080 820 M HA -0.205 4.276 4.480 0.001 0.000 0.260 820 M C 1.760 178.113 176.300 0.087 0.000 1.068 820 M CA 1.509 56.838 55.300 0.047 0.000 1.109 820 M CB -0.134 32.494 32.600 0.046 0.000 1.342 820 M HN 0.196 nan 8.290 nan 0.000 0.405 821 L N -0.794 120.494 121.223 0.109 0.000 2.554 821 L HA 0.142 4.482 4.340 0.001 0.000 0.226 821 L C 1.213 178.206 176.870 0.205 0.000 1.137 821 L CA 0.230 55.192 54.840 0.205 0.000 0.863 821 L CB -0.601 41.527 42.059 0.115 0.000 0.985 821 L HN 0.631 nan 8.230 nan 0.000 0.451 822 G N 0.810 109.676 108.800 0.109 0.000 2.198 822 G HA2 -0.248 3.712 3.960 0.001 0.000 0.257 822 G HA3 -0.248 3.712 3.960 0.001 0.000 0.257 822 G C 0.538 175.480 174.900 0.070 0.000 1.042 822 G CA 0.375 45.524 45.100 0.083 0.000 0.791 822 G HN 0.375 nan 8.290 nan 0.000 0.502 823 V N -3.524 116.418 119.914 0.046 0.000 3.252 823 V HA 0.478 4.598 4.120 0.001 0.000 0.320 823 V C 0.682 176.773 176.094 -0.006 0.000 1.459 823 V CA 0.357 62.668 62.300 0.018 0.000 1.095 823 V CB 0.869 32.692 31.823 0.001 0.000 0.997 823 V HN 0.417 nan 8.190 nan 0.000 0.469 824 Q N 2.110 121.909 119.800 -0.002 0.000 2.311 824 Q HA 0.467 4.807 4.340 0.001 0.000 0.272 824 Q C 0.728 176.717 176.000 -0.018 0.000 1.012 824 Q CA 1.875 57.669 55.803 -0.015 0.000 0.891 824 Q CB 0.924 29.656 28.738 -0.011 0.000 1.201 824 Q HN 1.173 nan 8.270 nan 0.000 0.391 825 G N 2.532 111.314 108.800 -0.029 0.000 2.741 825 G HA2 -0.151 3.809 3.960 0.001 0.000 0.222 825 G HA3 -0.151 3.809 3.960 0.001 0.000 0.222 825 G C -0.831 174.048 174.900 -0.036 0.000 1.364 825 G CA -0.324 44.758 45.100 -0.029 0.000 0.866 825 G HN 1.002 nan 8.290 nan 0.000 0.555 826 A N -1.137 121.665 122.820 -0.031 0.000 2.328 826 A HA 0.565 4.885 4.320 0.001 0.000 0.284 826 A C 0.692 178.272 177.584 -0.005 0.000 1.160 826 A CA 0.608 52.623 52.037 -0.037 0.000 0.818 826 A CB 0.886 19.866 19.000 -0.032 0.000 1.087 826 A HN 2.216 nan 8.150 nan 0.000 0.504 827 C N 3.783 123.080 119.300 -0.005 0.000 2.442 827 C HA 0.276 4.736 4.460 0.001 0.000 0.362 827 C C 1.523 176.539 174.990 0.043 0.000 1.242 827 C CA -0.386 58.643 59.018 0.017 0.000 1.741 827 C CB -1.318 26.431 27.740 0.014 0.000 2.378 827 C HN 1.001 nan 8.230 nan 0.000 0.549 828 K N 2.352 122.781 120.400 0.048 0.000 2.103 828 K HA -0.065 4.255 4.320 0.001 0.000 0.204 828 K C 1.436 178.073 176.600 0.063 0.000 1.052 828 K CA 1.452 57.778 56.287 0.066 0.000 0.945 828 K CB 0.116 32.646 32.500 0.050 0.000 0.722 828 K HN 0.712 nan 8.250 nan 0.000 0.443 829 D N 0.646 121.073 120.400 0.046 0.000 2.149 829 D HA -0.096 4.544 4.640 0.001 0.000 0.201 829 D C 0.412 176.740 176.300 0.047 0.000 0.972 829 D CA 1.054 55.078 54.000 0.040 0.000 0.835 829 D CB -0.006 40.812 40.800 0.030 0.000 0.966 829 D HN 0.036 nan 8.370 nan 0.000 0.476 830 N N 0.459 119.188 118.700 0.049 0.000 2.716 830 N HA 0.196 4.936 4.740 0.001 0.000 0.253 830 N C -2.902 172.642 175.510 0.057 0.000 1.170 830 N CA -1.853 51.227 53.050 0.051 0.000 0.807 830 N CB 1.297 39.807 38.487 0.037 0.000 1.183 830 N HN -0.284 nan 8.380 nan 0.000 0.524 831 P HA 0.156 nan 4.420 nan 0.000 0.261 831 P C 0.771 178.093 177.300 0.037 0.000 1.183 831 P CA 0.872 64.035 63.100 0.104 0.000 0.761 831 P CB 0.480 32.343 31.700 0.271 0.000 0.785 832 G N 2.967 111.746 108.800 -0.035 0.000 2.175 832 G HA2 -0.272 3.689 3.960 0.001 0.000 0.244 832 G HA3 -0.272 3.689 3.960 0.001 0.000 0.244 832 G C 1.058 175.942 174.900 -0.026 0.000 0.982 832 G CA 0.414 45.484 45.100 -0.049 0.000 0.641 832 G HN 0.520 nan 8.290 nan 0.000 0.527 833 E N 0.989 121.183 120.200 -0.009 0.000 2.152 833 E HA 0.019 4.369 4.350 0.001 0.000 0.192 833 E C 2.211 178.808 176.600 -0.006 0.000 0.983 833 E CA 1.696 58.096 56.400 0.001 0.000 0.818 833 E CB -0.278 29.432 29.700 0.016 0.000 0.758 833 E HN 0.446 nan 8.360 nan 0.000 0.467 834 N N 0.211 118.901 118.700 -0.016 0.000 2.142 834 N HA -0.052 4.689 4.740 0.001 0.000 0.186 834 N C 1.499 176.985 175.510 -0.040 0.000 1.023 834 N CA 1.516 54.553 53.050 -0.020 0.000 0.852 834 N CB -0.525 37.947 38.487 -0.024 0.000 0.998 834 N HN 0.283 nan 8.380 nan 0.000 0.424 835 A N 1.109 123.897 122.820 -0.055 0.000 1.930 835 A HA -0.046 4.274 4.320 0.001 0.000 0.217 835 A C 2.224 179.776 177.584 -0.052 0.000 1.175 835 A CA 0.958 52.956 52.037 -0.065 0.000 0.627 835 A CB -0.291 18.663 19.000 -0.078 0.000 0.815 835 A HN 0.174 nan 8.150 nan 0.000 0.443 836 R N -1.144 119.333 120.500 -0.039 0.000 2.092 836 R HA -0.147 4.194 4.340 0.001 0.000 0.231 836 R C 2.459 178.735 176.300 -0.040 0.000 1.119 836 R CA 1.568 57.650 56.100 -0.030 0.000 0.970 836 R CB -0.198 30.093 30.300 -0.016 0.000 0.864 836 R HN 0.621 nan 8.270 nan 0.000 0.440 837 Q N 0.990 120.766 119.800 -0.039 0.000 2.119 837 Q HA -0.134 4.207 4.340 0.001 0.000 0.201 837 Q C 1.842 177.765 176.000 -0.129 0.000 0.972 837 Q CA 1.278 57.045 55.803 -0.060 0.000 0.847 837 Q CB -0.234 28.498 28.738 -0.011 0.000 0.903 837 Q HN 0.207 nan 8.270 nan 0.000 0.433 838 L N 0.017 121.180 121.223 -0.101 0.000 2.141 838 L HA 0.061 4.401 4.340 0.001 0.000 0.209 838 L C 2.017 178.832 176.870 -0.092 0.000 1.094 838 L CA 2.023 56.795 54.840 -0.113 0.000 0.763 838 L CB -1.008 41.000 42.059 -0.086 0.000 0.908 838 L HN 0.252 nan 8.230 nan 0.000 0.437 839 A N -0.578 122.203 122.820 -0.064 0.000 1.930 839 A HA -0.168 4.153 4.320 0.001 0.000 0.217 839 A C 2.402 179.954 177.584 -0.054 0.000 1.175 839 A CA 1.411 53.428 52.037 -0.032 0.000 0.627 839 A CB -0.463 18.526 19.000 -0.019 0.000 0.815 839 A HN 0.464 nan 8.150 nan 0.000 0.443 840 R N -0.675 119.774 120.500 -0.086 0.000 2.092 840 R HA -0.019 4.322 4.340 0.001 0.000 0.231 840 R C 1.922 178.128 176.300 -0.156 0.000 1.119 840 R CA 1.483 57.523 56.100 -0.100 0.000 0.970 840 R CB -0.470 29.774 30.300 -0.094 0.000 0.864 840 R HN 0.565 nan 8.270 nan 0.000 0.440 841 I N 0.256 120.677 120.570 -0.248 0.000 2.315 841 I HA -0.228 3.942 4.170 0.001 0.000 0.248 841 I C 2.245 178.270 176.117 -0.154 0.000 1.117 841 I CA 0.928 62.038 61.300 -0.316 0.000 1.404 841 I CB -0.111 37.617 38.000 -0.454 0.000 1.071 841 I HN -0.061 nan 8.210 nan 0.000 0.419 842 V N -0.217 119.643 119.914 -0.090 0.000 2.307 842 V HA -0.333 3.788 4.120 0.001 0.000 0.245 842 V C 2.527 178.593 176.094 -0.047 0.000 1.045 842 V CA 1.886 64.165 62.300 -0.034 0.000 1.024 842 V CB -0.443 31.404 31.823 0.041 0.000 0.651 842 V HN 0.630 nan 8.190 nan 0.000 0.449 843 C N 0.794 120.066 119.300 -0.047 0.000 2.440 843 C HA -0.033 4.428 4.460 0.001 0.000 0.278 843 C C 2.917 177.878 174.990 -0.048 0.000 1.295 843 C CA 0.918 59.911 59.018 -0.041 0.000 1.738 843 C CB -1.484 26.237 27.740 -0.033 0.000 1.987 843 C HN 0.648 nan 8.230 nan 0.000 0.492 844 G N -0.682 108.083 108.800 -0.057 0.000 2.408 844 G HA2 -0.118 3.842 3.960 0.001 0.000 0.217 844 G HA3 -0.118 3.842 3.960 0.001 0.000 0.217 844 G C 1.766 176.643 174.900 -0.038 0.000 1.150 844 G CA 1.515 46.588 45.100 -0.045 0.000 0.776 844 G HN 0.535 nan 8.290 nan 0.000 0.542 845 T N 0.787 115.312 114.554 -0.049 0.000 2.857 845 T HA -0.045 4.306 4.350 0.001 0.000 0.266 845 T C 2.514 177.179 174.700 -0.058 0.000 1.048 845 T CA 0.872 62.948 62.100 -0.040 0.000 1.139 845 T CB -0.104 68.740 68.868 -0.040 0.000 0.874 845 T HN 0.045 nan 8.240 nan 0.000 0.455 846 V N 1.752 121.622 119.914 -0.074 0.000 2.332 846 V HA -0.199 3.922 4.120 0.001 0.000 0.248 846 V C 2.447 178.495 176.094 -0.076 0.000 1.055 846 V CA 1.810 64.048 62.300 -0.103 0.000 1.038 846 V CB -0.541 31.228 31.823 -0.090 0.000 0.651 846 V HN 0.485 nan 8.190 nan 0.000 0.450 847 M N -0.334 119.236 119.600 -0.050 0.000 2.159 847 M HA -0.156 4.324 4.480 0.001 0.000 0.263 847 M C 2.106 178.393 176.300 -0.022 0.000 1.063 847 M CA 2.071 57.349 55.300 -0.038 0.000 1.110 847 M CB -0.250 32.323 32.600 -0.045 0.000 1.374 847 M HN 0.359 nan 8.290 nan 0.000 0.411 848 A N -0.065 122.745 122.820 -0.017 0.000 1.902 848 A HA -0.044 4.276 4.320 0.001 0.000 0.217 848 A C 2.245 179.843 177.584 0.023 0.000 1.181 848 A CA 1.756 53.794 52.037 0.003 0.000 0.623 848 A CB -1.575 17.428 19.000 0.007 0.000 0.818 848 A HN 0.616 nan 8.150 nan 0.000 0.443 849 G N -0.692 108.112 108.800 0.007 0.000 2.422 849 G HA2 -0.140 3.821 3.960 0.001 0.000 0.218 849 G HA3 -0.140 3.821 3.960 0.001 0.000 0.218 849 G C 1.386 176.406 174.900 0.201 0.000 1.140 849 G CA 0.885 46.027 45.100 0.070 0.000 0.775 849 G HN 0.480 nan 8.290 nan 0.000 0.545 850 E N 0.398 120.644 120.200 0.077 0.000 2.072 850 E HA -0.001 4.349 4.350 0.001 0.000 0.191 850 E C 2.669 179.314 176.600 0.075 0.000 0.985 850 E CA 0.302 56.762 56.400 0.100 0.000 0.801 850 E CB -0.306 29.416 29.700 0.037 0.000 0.750 850 E HN 0.412 nan 8.360 nan 0.000 0.452 851 L N 0.593 121.842 121.223 0.043 0.000 2.042 851 L HA -0.188 4.153 4.340 0.001 0.000 0.210 851 L C 2.706 179.596 176.870 0.033 0.000 1.076 851 L CA 1.247 56.103 54.840 0.026 0.000 0.749 851 L CB -0.345 41.722 42.059 0.013 0.000 0.893 851 L HN 0.093 nan 8.230 nan 0.000 0.432 852 S N -0.390 115.340 115.700 0.050 0.000 2.357 852 S HA -0.134 4.336 4.470 0.001 0.000 0.221 852 S C 1.837 176.446 174.600 0.014 0.000 1.031 852 S CA 0.955 59.176 58.200 0.036 0.000 0.982 852 S CB -0.145 63.083 63.200 0.048 0.000 0.853 852 S HN 0.266 nan 8.310 nan 0.000 0.458 853 L N 1.668 122.901 121.223 0.018 0.000 2.056 853 L HA 0.110 4.450 4.340 0.001 0.000 0.207 853 L C 2.160 179.002 176.870 -0.046 0.000 1.078 853 L CA 1.802 56.592 54.840 -0.084 0.000 0.749 853 L CB -0.649 41.241 42.059 -0.281 0.000 0.901 853 L HN 0.291 nan 8.230 nan 0.000 0.433 854 M N -0.757 118.843 119.600 -0.001 0.000 2.229 854 M HA -0.066 4.414 4.480 0.001 0.000 0.264 854 M C 2.325 178.624 176.300 -0.002 0.000 1.063 854 M CA 1.483 56.784 55.300 0.002 0.000 1.114 854 M CB -1.517 31.094 32.600 0.019 0.000 1.387 854 M HN 0.443 nan 8.290 nan 0.000 0.420 855 A N 0.064 122.884 122.820 -0.000 0.000 1.929 855 A HA 0.119 4.440 4.320 0.001 0.000 0.216 855 A C 2.403 179.982 177.584 -0.008 0.000 1.176 855 A CA 1.643 53.679 52.037 -0.001 0.000 0.628 855 A CB -0.657 18.345 19.000 0.004 0.000 0.816 855 A HN 0.450 nan 8.150 nan 0.000 0.444 856 A N -0.346 122.463 122.820 -0.018 0.000 1.968 856 A HA 0.082 4.402 4.320 0.001 0.000 0.217 856 A C 2.079 179.647 177.584 -0.026 0.000 1.169 856 A CA 1.286 53.308 52.037 -0.025 0.000 0.638 856 A CB -0.457 18.519 19.000 -0.039 0.000 0.812 856 A HN 0.450 nan 8.150 nan 0.000 0.446 857 L N -1.058 120.147 121.223 -0.029 0.000 2.179 857 L HA -0.047 4.293 4.340 0.001 0.000 0.208 857 L C 2.974 179.835 176.870 -0.015 0.000 1.096 857 L CA 0.799 55.624 54.840 -0.026 0.000 0.779 857 L CB -0.387 41.655 42.059 -0.029 0.000 0.922 857 L HN 0.397 nan 8.230 nan 0.000 0.443 858 A N 0.090 122.904 122.820 -0.010 0.000 1.897 858 A HA -0.050 4.270 4.320 0.001 0.000 0.215 858 A C 2.469 180.051 177.584 -0.004 0.000 1.181 858 A CA 1.521 53.556 52.037 -0.004 0.000 0.620 858 A CB -0.554 18.447 19.000 0.001 0.000 0.821 858 A HN 0.347 nan 8.150 nan 0.000 0.443 859 A N -1.303 121.513 122.820 -0.006 0.000 2.016 859 A HA 0.434 4.755 4.320 0.001 0.000 0.217 859 A C 1.679 179.258 177.584 -0.007 0.000 1.162 859 A CA 1.474 53.508 52.037 -0.005 0.000 0.662 859 A CB -1.141 17.856 19.000 -0.005 0.000 0.812 859 A HN 2.125 nan 8.150 nan 0.000 0.450 860 G N 0.000 108.794 108.800 -0.011 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 45.093 45.100 -0.012 0.000 0.502 860 G HN 0.000 nan 8.290 nan 0.000 0.925