REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2r4f_1_B DATA FIRST_RESID 441 DATA SEQUENCE EPRPNEECLQ ILXXXXXXAK FLSDAEIIQL VNAKXXXXXX XXXLIETHER DATA SEQUENCE GVSIRRQLLS KKLSEPSSLQ YLPYRDYNYS LVMGACCENV IGYMPIPVGV DATA SEQUENCE AGPLCLDEKE FQVPMATTEG CLVASTNRGC RAIGLGGGAS SRVLADGMTR DATA SEQUENCE GPVVRLPRAC DSAEVKAWLE TSEGFAVIKE AFDSTSRFAR LQKLHTSIAG DATA SEQUENCE RNLYIRFQSR SGDAMGMNMI SKGTEKALSK LHEYFPEMQI LAVSGNYCTD DATA SEQUENCE KKPAAINWIE GRGKSVVCEA VIPAKVVREV LKTTTEAMIE VNINKNLVGS DATA SEQUENCE AMAGSIGGYN AHAANIVTAI YIACGQDAAQ NVGSSNCITL MEASGPTNED DATA SEQUENCE LYISCTMPSI EIGTVGGGTN LLPQQACLQM LGVQGACKDN PGENARQLAR DATA SEQUENCE IVCGTVMAGE LSLMAALAAG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 441 E HA 0.000 nan 4.350 nan 0.000 0.291 441 E C 0.000 176.605 176.600 0.009 0.000 1.382 441 E CA 0.000 56.405 56.400 0.008 0.000 0.976 441 E CB 0.000 29.705 29.700 0.008 0.000 0.812 442 P HA 0.323 nan 4.420 nan 0.000 0.281 442 P C -0.423 176.881 177.300 0.005 0.000 1.252 442 P CA 0.134 63.238 63.100 0.006 0.000 0.778 442 P CB 0.709 32.411 31.700 0.003 0.000 0.895 443 R N 3.453 123.957 120.500 0.007 0.000 2.457 443 R HA 0.443 4.783 4.340 -0.000 0.000 0.284 443 R C -2.128 174.174 176.300 0.003 0.000 1.024 443 R CA -1.706 54.397 56.100 0.005 0.000 1.025 443 R CB 0.043 30.348 30.300 0.008 0.000 1.063 443 R HN 0.368 nan 8.270 nan 0.000 0.493 444 P HA -0.009 nan 4.420 nan 0.000 0.268 444 P C -0.100 177.200 177.300 -0.001 0.000 1.208 444 P CA 0.006 63.106 63.100 -0.001 0.000 0.777 444 P CB 0.579 32.277 31.700 -0.002 0.000 0.875 445 N N 0.770 119.469 118.700 -0.001 0.000 2.166 445 N HA -0.188 4.552 4.740 -0.000 0.000 0.186 445 N C 1.257 176.766 175.510 -0.002 0.000 1.019 445 N CA 1.227 54.276 53.050 -0.001 0.000 0.856 445 N CB -0.013 38.473 38.487 -0.002 0.000 0.993 445 N HN 0.473 nan 8.380 nan 0.000 0.426 446 E N -0.127 120.071 120.200 -0.003 0.000 2.152 446 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 446 E C 1.356 177.952 176.600 -0.006 0.000 0.983 446 E CA 0.715 57.112 56.400 -0.005 0.000 0.818 446 E CB 0.044 29.741 29.700 -0.006 0.000 0.758 446 E HN 0.519 nan 8.360 nan 0.000 0.467 447 E N -0.262 119.934 120.200 -0.006 0.000 2.358 447 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 447 E C 1.760 178.355 176.600 -0.007 0.000 1.010 447 E CA 0.340 56.735 56.400 -0.009 0.000 0.856 447 E CB 0.142 29.837 29.700 -0.008 0.000 0.795 447 E HN 0.260 nan 8.360 nan 0.000 0.504 448 C N 0.262 119.561 119.300 -0.001 0.000 2.512 448 C HA 0.105 4.565 4.460 -0.000 0.000 0.276 448 C C 2.373 177.365 174.990 0.004 0.000 1.368 448 C CA -0.045 58.976 59.018 0.005 0.000 1.755 448 C CB -0.576 27.170 27.740 0.009 0.000 2.008 448 C HN 0.381 nan 8.230 nan 0.000 0.511 449 L N 1.467 122.689 121.223 -0.000 0.000 2.156 449 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 449 L C 2.926 179.793 176.870 -0.005 0.000 1.095 449 L CA 1.429 56.269 54.840 -0.001 0.000 0.770 449 L CB -0.586 41.471 42.059 -0.003 0.000 0.914 449 L HN 0.529 nan 8.230 nan 0.000 0.439 450 Q N 0.061 119.854 119.800 -0.011 0.000 2.230 450 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 450 Q C 2.010 177.994 176.000 -0.027 0.000 0.963 450 Q CA 1.299 57.091 55.803 -0.019 0.000 0.866 450 Q CB -0.179 28.543 28.738 -0.026 0.000 0.931 450 Q HN 0.506 nan 8.270 nan 0.000 0.452 451 I N 0.501 121.057 120.570 -0.023 0.000 2.339 451 I HA -0.055 4.115 4.170 -0.000 0.000 0.245 451 I C 1.564 177.690 176.117 0.015 0.000 1.096 451 I CA 0.180 61.464 61.300 -0.027 0.000 1.408 451 I CB -0.080 37.910 38.000 -0.016 0.000 1.092 451 I HN 0.260 nan 8.210 nan 0.000 0.423 460 K N -0.552 119.799 120.400 -0.083 0.000 2.167 460 K HA 0.097 4.417 4.320 -0.000 0.000 0.203 460 K C 1.326 177.779 176.600 -0.245 0.000 1.052 460 K CA 1.541 57.694 56.287 -0.223 0.000 0.956 460 K CB -0.241 32.028 32.500 -0.385 0.000 0.735 460 K HN 0.443 nan 8.250 nan 0.000 0.451 461 F N 1.260 121.210 119.950 -0.001 0.000 2.259 461 F HA 0.014 4.541 4.527 -0.000 0.000 0.298 461 F C 0.827 176.627 175.800 -0.001 0.000 1.088 461 F CA 0.176 58.175 58.000 -0.000 0.000 1.358 461 F CB -0.079 38.920 39.000 -0.001 0.000 1.040 461 F HN -0.139 nan 8.300 nan 0.000 0.505 462 L N 0.402 121.723 121.223 0.163 0.000 2.436 462 L HA 0.217 4.557 4.340 -0.000 0.000 0.265 462 L C 0.796 177.695 176.870 0.048 0.000 1.168 462 L CA -0.685 54.210 54.840 0.091 0.000 0.815 462 L CB 0.734 42.836 42.059 0.071 0.000 1.109 462 L HN 0.014 nan 8.230 nan 0.000 0.462 463 S N -0.538 115.184 115.700 0.037 0.000 2.693 463 S HA 0.214 4.684 4.470 -0.000 0.000 0.276 463 S C 0.331 174.939 174.600 0.013 0.000 1.192 463 S CA -0.771 57.442 58.200 0.022 0.000 0.994 463 S CB 1.428 64.641 63.200 0.021 0.000 1.012 463 S HN 0.593 nan 8.310 nan 0.000 0.550 464 D N 1.181 121.586 120.400 0.008 0.000 2.144 464 D HA 0.038 4.678 4.640 -0.000 0.000 0.199 464 D C 2.070 178.369 176.300 -0.001 0.000 0.984 464 D CA 1.710 55.711 54.000 0.002 0.000 0.834 464 D CB -0.584 40.217 40.800 0.002 0.000 0.955 464 D HN 0.689 nan 8.370 nan 0.000 0.465 465 A N 0.465 123.286 122.820 0.001 0.000 2.015 465 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 465 A C 1.952 179.536 177.584 0.001 0.000 1.163 465 A CA 1.142 53.178 52.037 -0.001 0.000 0.646 465 A CB -0.332 18.669 19.000 0.001 0.000 0.806 465 A HN 0.175 nan 8.150 nan 0.000 0.448 466 E N -0.343 119.860 120.200 0.005 0.000 2.112 466 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 466 E C 1.740 178.343 176.600 0.005 0.000 0.979 466 E CA 0.896 57.300 56.400 0.007 0.000 0.814 466 E CB -0.193 29.516 29.700 0.015 0.000 0.762 466 E HN 0.704 nan 8.360 nan 0.000 0.460 467 I N 0.992 121.564 120.570 0.003 0.000 2.315 467 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 467 I C 2.230 178.342 176.117 -0.007 0.000 1.117 467 I CA 0.965 62.264 61.300 -0.001 0.000 1.404 467 I CB -0.209 37.788 38.000 -0.004 0.000 1.071 467 I HN 0.087 nan 8.210 nan 0.000 0.419 468 I N 0.362 120.926 120.570 -0.010 0.000 2.264 468 I HA -0.329 3.840 4.170 -0.000 0.000 0.248 468 I C 2.696 178.807 176.117 -0.010 0.000 1.111 468 I CA 1.452 62.744 61.300 -0.014 0.000 1.382 468 I CB -0.387 37.604 38.000 -0.016 0.000 1.060 468 I HN 0.337 nan 8.210 nan 0.000 0.418 469 Q N 0.620 120.416 119.800 -0.007 0.000 2.170 469 Q HA -0.214 4.126 4.340 -0.000 0.000 0.203 469 Q C 2.246 178.244 176.000 -0.005 0.000 0.976 469 Q CA 1.415 57.215 55.803 -0.005 0.000 0.858 469 Q CB 0.091 28.827 28.738 -0.003 0.000 0.907 469 Q HN 0.380 nan 8.270 nan 0.000 0.433 470 L N -0.680 120.540 121.223 -0.004 0.000 2.141 470 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 470 L C 2.154 179.020 176.870 -0.006 0.000 1.094 470 L CA 0.971 55.809 54.840 -0.004 0.000 0.763 470 L CB -0.381 41.677 42.059 -0.002 0.000 0.908 470 L HN 0.086 nan 8.230 nan 0.000 0.437 471 V N -0.665 119.244 119.914 -0.008 0.000 2.379 471 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 471 V C 1.908 177.997 176.094 -0.010 0.000 1.044 471 V CA 1.907 64.201 62.300 -0.010 0.000 1.036 471 V CB -0.813 31.001 31.823 -0.014 0.000 0.664 471 V HN 0.506 nan 8.190 nan 0.000 0.453 472 N N 0.583 119.277 118.700 -0.009 0.000 2.381 472 N HA -0.038 4.702 4.740 -0.000 0.000 0.182 472 N C 1.758 177.264 175.510 -0.007 0.000 1.025 472 N CA 1.009 54.054 53.050 -0.008 0.000 0.888 472 N CB -0.257 38.225 38.487 -0.009 0.000 0.965 472 N HN 0.484 nan 8.380 nan 0.000 0.438 473 A N 0.821 123.638 122.820 -0.006 0.000 2.066 473 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 473 A C 0.482 178.064 177.584 -0.005 0.000 1.157 473 A CA 0.623 52.657 52.037 -0.005 0.000 0.670 473 A CB 0.091 19.088 19.000 -0.004 0.000 0.804 473 A HN 0.056 nan 8.150 nan 0.000 0.453 485 I N 1.004 121.542 120.570 -0.053 0.000 2.499 485 I HA 0.228 4.398 4.170 -0.000 0.000 0.296 485 I C 1.256 177.326 176.117 -0.079 0.000 0.992 485 I CA -0.206 61.059 61.300 -0.057 0.000 1.297 485 I CB 1.234 39.198 38.000 -0.060 0.000 1.410 485 I HN 0.261 nan 8.210 nan 0.000 0.507 486 E N 2.468 122.631 120.200 -0.062 0.000 2.031 486 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 486 E C 0.602 177.156 176.600 -0.077 0.000 0.994 486 E CA 1.213 57.576 56.400 -0.063 0.000 0.800 486 E CB -0.271 29.397 29.700 -0.055 0.000 0.752 486 E HN 0.811 nan 8.360 nan 0.000 0.447 487 T N -2.198 112.321 114.554 -0.058 0.000 2.940 487 T HA 0.364 4.714 4.350 -0.000 0.000 0.288 487 T C 0.251 174.920 174.700 -0.051 0.000 1.033 487 T CA -0.719 61.367 62.100 -0.024 0.000 1.033 487 T CB 1.289 70.187 68.868 0.050 0.000 1.079 487 T HN -0.025 nan 8.240 nan 0.000 0.496 488 H N -0.056 119.046 119.070 0.054 0.000 2.357 488 H HA 0.024 4.580 4.556 -0.000 0.000 0.301 488 H C 2.202 177.525 175.328 -0.009 0.000 1.082 488 H CA 1.976 58.048 56.048 0.041 0.000 1.342 488 H CB 0.160 30.001 29.762 0.131 0.000 1.389 488 H HN 0.855 nan 8.280 nan 0.000 0.511 489 E N 0.863 121.195 120.200 0.220 0.000 2.077 489 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 489 E C 2.330 179.032 176.600 0.169 0.000 0.989 489 E CA 0.697 57.227 56.400 0.218 0.000 0.800 489 E CB 0.093 29.959 29.700 0.278 0.000 0.746 489 E HN 0.322 nan 8.360 nan 0.000 0.452 490 R N -0.345 120.219 120.500 0.106 0.000 2.092 490 R HA -0.084 4.256 4.340 -0.000 0.000 0.231 490 R C 2.328 178.632 176.300 0.007 0.000 1.119 490 R CA 1.274 57.414 56.100 0.067 0.000 0.970 490 R CB -0.402 29.919 30.300 0.034 0.000 0.864 490 R HN 0.243 nan 8.270 nan 0.000 0.440 491 G N 0.031 108.816 108.800 -0.024 0.000 2.440 491 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 491 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 491 G C 1.359 176.205 174.900 -0.090 0.000 1.154 491 G CA 0.924 45.988 45.100 -0.060 0.000 0.767 491 G HN 0.217 nan 8.290 nan 0.000 0.552 492 V N 0.696 120.535 119.914 -0.125 0.000 2.358 492 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 492 V C 2.996 178.952 176.094 -0.231 0.000 1.047 492 V CA 2.147 64.331 62.300 -0.194 0.000 1.035 492 V CB -0.441 31.216 31.823 -0.276 0.000 0.658 492 V HN 0.483 nan 8.190 nan 0.000 0.452 493 S N -0.153 115.445 115.700 -0.171 0.000 2.370 493 S HA -0.172 4.298 4.470 -0.000 0.000 0.226 493 S C 1.984 176.483 174.600 -0.169 0.000 1.033 493 S CA 1.562 59.616 58.200 -0.242 0.000 1.011 493 S CB -0.259 62.951 63.200 0.017 0.000 0.852 493 S HN 0.393 nan 8.310 nan 0.000 0.457 494 I N 1.704 122.215 120.570 -0.098 0.000 2.179 494 I HA -0.100 4.070 4.170 -0.000 0.000 0.242 494 I C 2.650 178.714 176.117 -0.089 0.000 1.088 494 I CA 1.416 62.670 61.300 -0.075 0.000 1.357 494 I CB -1.414 36.556 38.000 -0.050 0.000 1.051 494 I HN 0.402 nan 8.210 nan 0.000 0.409 495 R N 0.875 121.314 120.500 -0.102 0.000 2.096 495 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 495 R C 2.471 178.703 176.300 -0.113 0.000 1.127 495 R CA 1.321 57.364 56.100 -0.095 0.000 0.968 495 R CB -0.049 30.196 30.300 -0.092 0.000 0.861 495 R HN 0.276 nan 8.270 nan 0.000 0.440 496 R N -0.041 120.357 120.500 -0.170 0.000 2.081 496 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 496 R C 2.446 178.664 176.300 -0.137 0.000 1.131 496 R CA 1.941 57.927 56.100 -0.190 0.000 0.960 496 R CB -0.163 29.936 30.300 -0.335 0.000 0.856 496 R HN 0.407 nan 8.270 nan 0.000 0.436 497 Q N 0.254 119.979 119.800 -0.124 0.000 2.119 497 Q HA -0.093 4.246 4.340 -0.000 0.000 0.201 497 Q C 2.166 178.129 176.000 -0.061 0.000 0.972 497 Q CA 1.055 56.808 55.803 -0.083 0.000 0.847 497 Q CB 0.003 28.700 28.738 -0.069 0.000 0.903 497 Q HN 0.334 nan 8.270 nan 0.000 0.433 498 L N 0.010 121.197 121.223 -0.060 0.000 2.093 498 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 498 L C 2.238 179.082 176.870 -0.043 0.000 1.085 498 L CA 0.503 55.316 54.840 -0.045 0.000 0.755 498 L CB -0.257 41.776 42.059 -0.042 0.000 0.904 498 L HN 0.238 nan 8.230 nan 0.000 0.435 499 L N -1.058 120.134 121.223 -0.053 0.000 2.072 499 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 499 L C 2.560 179.405 176.870 -0.041 0.000 1.079 499 L CA 1.530 56.343 54.840 -0.046 0.000 0.752 499 L CB -0.341 41.685 42.059 -0.054 0.000 0.906 499 L HN 0.058 nan 8.230 nan 0.000 0.436 500 S N -0.311 115.360 115.700 -0.049 0.000 2.383 500 S HA -0.201 4.269 4.470 -0.000 0.000 0.229 500 S C 1.876 176.458 174.600 -0.030 0.000 1.030 500 S CA 1.431 59.606 58.200 -0.042 0.000 1.002 500 S CB -0.289 62.881 63.200 -0.050 0.000 0.829 500 S HN 0.458 nan 8.310 nan 0.000 0.467 501 K N 0.983 121.365 120.400 -0.029 0.000 2.211 501 K HA 0.000 4.320 4.320 -0.000 0.000 0.203 501 K C 1.918 178.507 176.600 -0.018 0.000 1.050 501 K CA 0.851 57.125 56.287 -0.022 0.000 0.945 501 K CB -0.056 32.431 32.500 -0.021 0.000 0.732 501 K HN 0.287 nan 8.250 nan 0.000 0.451 502 K N 0.556 120.945 120.400 -0.020 0.000 2.296 502 K HA 0.034 4.354 4.320 -0.000 0.000 0.200 502 K C 0.550 177.141 176.600 -0.014 0.000 1.048 502 K CA 0.366 56.643 56.287 -0.016 0.000 0.966 502 K CB 0.021 32.510 32.500 -0.017 0.000 0.754 502 K HN 0.048 nan 8.250 nan 0.000 0.466 503 L N 1.087 122.300 121.223 -0.015 0.000 2.418 503 L HA 0.036 4.376 4.340 -0.000 0.000 0.265 503 L C 1.742 178.606 176.870 -0.009 0.000 1.143 503 L CA -0.402 54.430 54.840 -0.012 0.000 0.809 503 L CB 1.324 43.375 42.059 -0.014 0.000 1.124 503 L HN 0.096 nan 8.230 nan 0.000 0.456 504 S N -0.243 115.453 115.700 -0.006 0.000 2.402 504 S HA -0.073 4.397 4.470 -0.000 0.000 0.229 504 S C 0.746 175.345 174.600 -0.003 0.000 1.021 504 S CA 0.680 58.877 58.200 -0.004 0.000 0.974 504 S CB -0.011 63.187 63.200 -0.003 0.000 0.800 504 S HN 0.625 nan 8.310 nan 0.000 0.484 505 E N 2.055 122.253 120.200 -0.002 0.000 2.102 505 E HA 0.363 4.713 4.350 -0.000 0.000 0.263 505 E C -2.304 174.293 176.600 -0.004 0.000 0.894 505 E CA -2.629 53.771 56.400 -0.000 0.000 0.746 505 E CB 1.736 31.439 29.700 0.005 0.000 1.129 505 E HN 0.122 nan 8.360 nan 0.000 0.416 506 P HA -0.086 nan 4.420 nan 0.000 0.222 506 P C 0.781 178.070 177.300 -0.018 0.000 1.147 506 P CA 0.812 63.904 63.100 -0.014 0.000 0.790 506 P CB 0.318 32.010 31.700 -0.013 0.000 0.780 507 S N -2.641 113.053 115.700 -0.010 0.000 2.573 507 S HA 0.220 4.690 4.470 -0.000 0.000 0.244 507 S C 1.443 176.043 174.600 -0.001 0.000 0.984 507 S CA -0.303 57.888 58.200 -0.014 0.000 1.001 507 S CB -0.785 62.409 63.200 -0.010 0.000 0.788 507 S HN -0.122 nan 8.310 nan 0.000 0.456 508 S N 1.992 117.692 115.700 0.000 0.000 2.382 508 S HA 0.115 4.585 4.470 -0.000 0.000 0.228 508 S C 1.438 176.047 174.600 0.014 0.000 1.027 508 S CA 1.004 59.212 58.200 0.014 0.000 0.991 508 S CB -0.395 62.807 63.200 0.004 0.000 0.823 508 S HN 0.619 nan 8.310 nan 0.000 0.469 509 L N 1.538 122.752 121.223 -0.016 0.000 2.599 509 L HA 0.085 4.425 4.340 -0.000 0.000 0.230 509 L C 2.382 179.229 176.870 -0.038 0.000 1.141 509 L CA 0.187 55.010 54.840 -0.029 0.000 0.877 509 L CB -0.462 41.559 42.059 -0.063 0.000 1.009 509 L HN 0.370 nan 8.230 nan 0.000 0.447 510 Q N 0.564 120.330 119.800 -0.058 0.000 2.096 510 Q HA -0.244 4.096 4.340 -0.000 0.000 0.208 510 Q C 1.294 177.126 176.000 -0.280 0.000 0.993 510 Q CA 2.114 57.806 55.803 -0.185 0.000 0.862 510 Q CB -0.045 28.539 28.738 -0.257 0.000 0.915 510 Q HN 0.567 nan 8.270 nan 0.000 0.416 511 Y N -0.655 119.640 120.300 -0.009 0.000 2.468 511 Y HA 0.159 4.709 4.550 -0.000 0.000 0.268 511 Y C -0.092 175.781 175.900 -0.045 0.000 1.177 511 Y CA -0.656 57.433 58.100 -0.018 0.000 1.265 511 Y CB 0.713 39.163 38.460 -0.017 0.000 1.103 511 Y HN 0.113 nan 8.280 nan 0.000 0.522 512 L N 4.601 125.852 121.223 0.048 0.000 2.283 512 L HA 0.377 4.717 4.340 -0.000 0.000 0.287 512 L C -2.464 174.366 176.870 -0.066 0.000 1.073 512 L CA -2.245 52.576 54.840 -0.032 0.000 0.822 512 L CB 0.128 42.166 42.059 -0.035 0.000 1.186 512 L HN -0.163 nan 8.230 nan 0.000 0.436 513 P HA 0.164 nan 4.420 nan 0.000 0.277 513 P C -1.017 176.119 177.300 -0.273 0.000 1.240 513 P CA 0.129 63.059 63.100 -0.283 0.000 0.798 513 P CB 0.851 32.237 31.700 -0.524 0.000 0.979 514 Y N -1.035 119.225 120.300 -0.067 0.000 2.449 514 Y HA 0.378 4.928 4.550 -0.000 0.000 0.283 514 Y C 0.595 176.771 175.900 0.459 0.000 1.079 514 Y CA -0.581 57.669 58.100 0.250 0.000 1.099 514 Y CB -0.010 38.550 38.460 0.167 0.000 1.354 514 Y HN -0.006 nan 8.280 nan 0.000 0.569 515 R N 2.899 123.155 120.500 -0.406 0.000 2.594 515 R HA 0.088 4.428 4.340 -0.000 0.000 0.272 515 R C -0.369 175.953 176.300 0.037 0.000 1.074 515 R CA 0.856 56.758 56.100 -0.331 0.000 1.105 515 R CB 0.076 30.117 30.300 -0.431 0.000 1.008 515 R HN 0.405 nan 8.270 nan 0.000 0.472 516 D N -0.412 120.013 120.400 0.042 0.000 3.079 516 D HA -0.258 4.382 4.640 -0.000 0.000 0.214 516 D C -0.585 175.713 176.300 -0.003 0.000 1.145 516 D CA 1.295 55.312 54.000 0.027 0.000 0.958 516 D CB -1.431 39.372 40.800 0.006 0.000 1.117 516 D HN 0.491 nan 8.370 nan 0.000 0.416 517 Y N 1.513 121.725 120.300 -0.147 0.000 2.310 517 Y HA 0.362 4.912 4.550 -0.000 0.000 0.326 517 Y C 0.585 176.196 175.900 -0.481 0.000 1.151 517 Y CA -0.986 56.849 58.100 -0.441 0.000 1.195 517 Y CB 0.777 38.816 38.460 -0.703 0.000 1.210 517 Y HN -0.231 nan 8.280 nan 0.000 0.483 518 N N 4.918 122.933 118.700 -1.142 0.000 2.549 518 N HA -0.008 4.732 4.740 -0.000 0.000 0.267 518 N C -0.423 174.621 175.510 -0.778 0.000 1.182 518 N CA 0.474 53.059 53.050 -0.775 0.000 1.019 518 N CB -0.437 37.683 38.487 -0.611 0.000 1.380 518 N HN 0.694 nan 8.380 nan 0.000 0.505 519 Y N 0.404 120.558 120.300 -0.245 0.000 2.561 519 Y HA -0.099 4.451 4.550 -0.000 0.000 0.291 519 Y C 2.421 178.126 175.900 -0.324 0.000 1.141 519 Y CA 0.572 58.612 58.100 -0.099 0.000 1.303 519 Y CB 0.090 38.603 38.460 0.088 0.000 1.015 519 Y HN 0.565 nan 8.280 nan 0.000 0.547 520 S N 0.162 115.630 115.700 -0.387 0.000 2.400 520 S HA -0.198 4.272 4.470 -0.000 0.000 0.232 520 S C 1.612 176.099 174.600 -0.189 0.000 1.025 520 S CA 1.274 59.199 58.200 -0.459 0.000 0.993 520 S CB -0.748 62.267 63.200 -0.309 0.000 0.808 520 S HN 0.544 nan 8.310 nan 0.000 0.478 521 L N 0.584 121.717 121.223 -0.148 0.000 2.558 521 L HA 0.207 4.547 4.340 -0.000 0.000 0.225 521 L C 2.065 178.925 176.870 -0.017 0.000 1.128 521 L CA 0.017 54.809 54.840 -0.080 0.000 0.868 521 L CB -0.049 41.948 42.059 -0.104 0.000 1.006 521 L HN 0.233 nan 8.230 nan 0.000 0.454 522 V N -1.422 118.508 119.914 0.027 0.000 2.436 522 V HA 0.042 4.162 4.120 -0.000 0.000 0.240 522 V C 1.334 177.499 176.094 0.119 0.000 1.040 522 V CA 0.426 62.797 62.300 0.118 0.000 1.052 522 V CB -0.075 31.906 31.823 0.264 0.000 0.707 522 V HN 0.199 nan 8.190 nan 0.000 0.469 523 M N 0.995 120.674 119.600 0.132 0.000 2.269 523 M HA 0.228 4.708 4.480 -0.000 0.000 0.350 523 M C 1.393 177.751 176.300 0.098 0.000 1.429 523 M CA 1.011 56.394 55.300 0.138 0.000 1.063 523 M CB -1.274 31.453 32.600 0.212 0.000 1.841 523 M HN 0.503 nan 8.290 nan 0.000 0.455 524 G N 2.544 111.393 108.800 0.082 0.000 2.179 524 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.257 524 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.257 524 G C 0.539 175.467 174.900 0.047 0.000 1.010 524 G CA 0.811 45.947 45.100 0.059 0.000 0.736 524 G HN 1.090 nan 8.290 nan 0.000 0.513 525 A N -2.970 119.879 122.820 0.049 0.000 1.704 525 A HA 0.475 4.795 4.320 -0.000 0.000 0.205 525 A C 1.714 179.321 177.584 0.038 0.000 1.837 525 A CA 1.638 53.697 52.037 0.036 0.000 1.364 525 A CB -0.170 18.847 19.000 0.028 0.000 1.377 525 A HN 0.901 nan 8.150 nan 0.000 0.390 526 C N -1.285 118.047 119.300 0.054 0.000 3.095 526 C HA 0.584 5.044 4.460 -0.000 0.000 0.472 526 C C 0.605 175.634 174.990 0.066 0.000 1.348 526 C CA 0.064 59.116 59.018 0.057 0.000 2.206 526 C CB -0.181 27.598 27.740 0.065 0.000 3.088 526 C HN 0.683 nan 8.230 nan 0.000 0.599 527 C N 1.102 120.451 119.300 0.082 0.000 3.170 527 C HA 0.657 5.117 4.460 -0.000 0.000 0.319 527 C C -1.851 173.186 174.990 0.078 0.000 1.260 527 C CA -0.233 58.834 59.018 0.081 0.000 1.374 527 C CB 1.172 28.973 27.740 0.103 0.000 1.739 527 C HN 0.534 nan 8.230 nan 0.000 0.479 528 E N 1.838 122.074 120.200 0.059 0.000 2.320 528 E HA 0.532 4.882 4.350 -0.000 0.000 0.264 528 E C -0.373 176.248 176.600 0.036 0.000 0.923 528 E CA -0.434 55.995 56.400 0.047 0.000 0.796 528 E CB 0.659 30.380 29.700 0.035 0.000 1.262 528 E HN 0.605 nan 8.360 nan 0.000 0.428 529 N N -0.570 118.144 118.700 0.023 0.000 2.725 529 N HA -0.147 4.593 4.740 -0.000 0.000 0.251 529 N C -0.935 174.577 175.510 0.003 0.000 1.031 529 N CA 0.467 53.520 53.050 0.005 0.000 0.720 529 N CB -1.693 36.796 38.487 0.003 0.000 0.930 529 N HN 0.197 nan 8.380 nan 0.000 0.543 530 V N 1.281 121.201 119.914 0.011 0.000 2.521 530 V HA 0.064 4.184 4.120 -0.000 0.000 0.286 530 V C 1.916 177.993 176.094 -0.029 0.000 1.034 530 V CA 0.173 62.488 62.300 0.025 0.000 1.045 530 V CB 0.642 32.511 31.823 0.077 0.000 0.974 530 V HN 0.402 nan 8.190 nan 0.000 0.480 531 I N 1.567 122.133 120.570 -0.007 0.000 4.081 531 I HA 0.768 4.938 4.170 -0.000 0.000 0.333 531 I C 0.710 176.823 176.117 -0.008 0.000 1.413 531 I CA 0.255 61.522 61.300 -0.055 0.000 1.110 531 I CB 0.371 38.333 38.000 -0.064 0.000 1.082 531 I HN 0.742 nan 8.210 nan 0.000 0.402 532 G N 1.572 110.445 108.800 0.120 0.000 2.302 532 G HA2 0.137 4.097 3.960 -0.000 0.000 0.264 532 G HA3 0.137 4.097 3.960 -0.000 0.000 0.264 532 G C -1.792 173.221 174.900 0.188 0.000 1.335 532 G CA -0.320 44.917 45.100 0.227 0.000 0.982 532 G HN 0.423 nan 8.290 nan 0.000 0.473 533 Y N -2.220 118.070 120.300 -0.016 0.000 2.545 533 Y HA 0.875 5.425 4.550 -0.000 0.000 0.348 533 Y C -0.382 175.470 175.900 -0.080 0.000 1.002 533 Y CA -1.912 56.089 58.100 -0.166 0.000 1.039 533 Y CB 2.079 40.238 38.460 -0.502 0.000 1.271 533 Y HN 0.696 nan 8.280 nan 0.000 0.467 534 M N 5.221 124.863 119.600 0.071 0.000 2.061 534 M HA 0.513 4.993 4.480 -0.000 0.000 0.346 534 M C -2.882 173.493 176.300 0.126 0.000 1.112 534 M CA -3.229 52.095 55.300 0.040 0.000 1.021 534 M CB 0.689 33.305 32.600 0.026 0.000 1.530 534 M HN 0.514 nan 8.290 nan 0.000 0.437 535 P HA 0.281 nan 4.420 nan 0.000 0.282 535 P C -1.164 176.183 177.300 0.080 0.000 1.274 535 P CA -0.151 63.041 63.100 0.153 0.000 0.770 535 P CB 0.184 31.987 31.700 0.171 0.000 0.867 536 I N 5.425 126.035 120.570 0.067 0.000 2.339 536 I HA 0.284 4.453 4.170 -0.000 0.000 0.290 536 I C -2.092 174.049 176.117 0.042 0.000 0.994 536 I CA -3.009 58.319 61.300 0.046 0.000 1.191 536 I CB 0.701 38.726 38.000 0.041 0.000 1.343 536 I HN 0.129 nan 8.210 nan 0.000 0.458 537 P HA 0.095 nan 4.420 nan 0.000 0.265 537 P C -0.512 176.805 177.300 0.028 0.000 1.193 537 P CA 0.022 63.139 63.100 0.030 0.000 0.765 537 P CB 0.585 32.299 31.700 0.024 0.000 0.823 538 V N 3.515 123.445 119.914 0.026 0.000 2.384 538 V HA 0.647 4.767 4.120 -0.000 0.000 0.287 538 V C 0.787 176.895 176.094 0.022 0.000 1.020 538 V CA -0.285 62.029 62.300 0.024 0.000 0.850 538 V CB 1.481 33.318 31.823 0.023 0.000 0.987 538 V HN 0.754 nan 8.190 nan 0.000 0.436 539 G N 2.458 111.271 108.800 0.022 0.000 2.537 539 G HA2 0.638 4.597 3.960 -0.000 0.000 0.323 539 G HA3 0.638 4.597 3.960 -0.000 0.000 0.323 539 G C -1.309 173.604 174.900 0.023 0.000 1.207 539 G CA -0.699 44.414 45.100 0.021 0.000 0.976 539 G HN 0.638 nan 8.290 nan 0.000 0.487 540 V N 0.137 120.065 119.914 0.023 0.000 2.448 540 V HA 0.773 4.893 4.120 -0.000 0.000 0.295 540 V C -0.114 175.996 176.094 0.028 0.000 1.025 540 V CA -0.508 61.808 62.300 0.027 0.000 0.859 540 V CB 1.121 32.960 31.823 0.026 0.000 0.988 540 V HN 1.226 nan 8.190 nan 0.000 0.431 541 A N 4.870 127.709 122.820 0.032 0.000 2.303 541 A HA 1.029 5.349 4.320 -0.000 0.000 0.320 541 A C 0.202 177.811 177.584 0.043 0.000 1.192 541 A CA 0.253 52.310 52.037 0.033 0.000 0.821 541 A CB 1.199 20.217 19.000 0.029 0.000 1.188 541 A HN 2.057 nan 8.150 nan 0.000 0.492 542 G N 1.709 110.534 108.800 0.041 0.000 2.324 542 G HA2 0.499 4.459 3.960 -0.000 0.000 0.293 542 G HA3 0.499 4.459 3.960 -0.000 0.000 0.293 542 G C -3.442 171.479 174.900 0.035 0.000 1.297 542 G CA -0.529 44.600 45.100 0.049 0.000 0.853 542 G HN 0.644 nan 8.290 nan 0.000 0.535 543 P HA 0.425 nan 4.420 nan 0.000 0.275 543 P C -0.614 176.724 177.300 0.065 0.000 1.227 543 P CA -0.332 62.794 63.100 0.044 0.000 0.781 543 P CB 1.628 33.338 31.700 0.016 0.000 0.906 544 L N 4.810 126.101 121.223 0.114 0.000 2.261 544 L HA 0.241 4.581 4.340 -0.000 0.000 0.289 544 L C -0.543 176.428 176.870 0.169 0.000 1.059 544 L CA -0.344 54.580 54.840 0.139 0.000 0.816 544 L CB -0.248 41.910 42.059 0.165 0.000 1.191 544 L HN 0.363 nan 8.230 nan 0.000 0.431 545 C N 6.418 125.779 119.300 0.103 0.000 2.289 545 C HA 0.520 4.980 4.460 -0.000 0.000 0.340 545 C C -0.011 175.048 174.990 0.114 0.000 1.152 545 C CA -0.647 58.421 59.018 0.082 0.000 1.650 545 C CB -1.135 26.630 27.740 0.042 0.000 2.203 545 C HN 0.690 nan 8.230 nan 0.000 0.511 546 L N 4.211 125.545 121.223 0.185 0.000 2.439 546 L HA 0.460 4.800 4.340 -0.000 0.000 0.270 546 L C -0.238 176.756 176.870 0.207 0.000 0.972 546 L CA 0.517 55.480 54.840 0.205 0.000 0.836 546 L CB 0.960 43.174 42.059 0.259 0.000 1.255 546 L HN 0.665 nan 8.230 nan 0.000 0.404 547 D N 4.215 124.689 120.400 0.124 0.000 2.689 547 D HA -0.241 4.399 4.640 -0.000 0.000 0.237 547 D C 0.276 176.620 176.300 0.073 0.000 1.148 547 D CA 1.303 55.362 54.000 0.098 0.000 0.656 547 D CB -0.431 40.437 40.800 0.114 0.000 1.050 547 D HN 0.975 nan 8.370 nan 0.000 0.426 548 E N -2.164 118.064 120.200 0.048 0.000 3.170 548 E HA -0.277 4.073 4.350 -0.000 0.000 0.284 548 E C 0.074 176.658 176.600 -0.025 0.000 0.967 548 E CA 1.269 57.677 56.400 0.013 0.000 0.919 548 E CB -0.505 29.201 29.700 0.011 0.000 1.469 548 E HN 0.528 nan 8.360 nan 0.000 0.444 549 K N 0.147 120.521 120.400 -0.042 0.000 2.352 549 K HA 0.545 4.864 4.320 -0.000 0.000 0.240 549 K C -0.440 175.991 176.600 -0.282 0.000 1.017 549 K CA -0.731 55.427 56.287 -0.215 0.000 0.851 549 K CB 1.661 33.949 32.500 -0.353 0.000 1.261 549 K HN -0.051 nan 8.250 nan 0.000 0.451 550 E N 1.246 121.173 120.200 -0.455 0.000 2.199 550 E HA 0.337 4.687 4.350 -0.000 0.000 0.265 550 E C -1.366 174.936 176.600 -0.497 0.000 0.882 550 E CA -0.509 55.701 56.400 -0.317 0.000 0.759 550 E CB 1.284 30.892 29.700 -0.154 0.000 1.148 550 E HN 0.258 nan 8.360 nan 0.000 0.412 551 F N 1.422 121.374 119.950 0.003 0.000 2.495 551 F HA 0.271 4.797 4.527 -0.000 0.000 0.327 551 F C 0.359 176.161 175.800 0.004 0.000 1.103 551 F CA -1.003 56.999 58.000 0.003 0.000 0.949 551 F CB 1.672 40.675 39.000 0.004 0.000 1.142 551 F HN 0.110 nan 8.300 nan 0.000 0.457 552 Q N 3.178 123.087 119.800 0.182 0.000 2.400 552 Q HA 0.356 4.696 4.340 -0.000 0.000 0.255 552 Q C -0.814 175.250 176.000 0.107 0.000 1.008 552 Q CA -0.498 55.370 55.803 0.109 0.000 0.841 552 Q CB 1.979 30.755 28.738 0.062 0.000 1.220 552 Q HN 0.392 nan 8.270 nan 0.000 0.474 553 V N 5.803 125.769 119.914 0.087 0.000 2.385 553 V HA 0.258 4.378 4.120 -0.000 0.000 0.269 553 V C -1.941 174.177 176.094 0.040 0.000 1.043 553 V CA -1.571 60.764 62.300 0.058 0.000 0.906 553 V CB 0.980 32.826 31.823 0.038 0.000 0.995 553 V HN 0.528 nan 8.190 nan 0.000 0.467 554 P HA 0.394 nan 4.420 nan 0.000 0.280 554 P C -0.925 176.391 177.300 0.027 0.000 1.244 554 P CA -0.366 62.752 63.100 0.029 0.000 0.784 554 P CB 0.937 32.653 31.700 0.026 0.000 0.913 555 M N 2.408 122.024 119.600 0.025 0.000 2.106 555 M HA 0.468 4.948 4.480 -0.000 0.000 0.288 555 M C -0.486 175.829 176.300 0.025 0.000 0.941 555 M CA -0.640 54.675 55.300 0.024 0.000 0.934 555 M CB 2.450 35.061 32.600 0.018 0.000 1.551 555 M HN 0.277 nan 8.290 nan 0.000 0.437 556 A N 2.595 125.433 122.820 0.030 0.000 2.279 556 A HA 0.770 5.090 4.320 -0.000 0.000 0.306 556 A C -0.189 177.411 177.584 0.027 0.000 1.300 556 A CA -0.236 51.819 52.037 0.030 0.000 0.925 556 A CB 0.623 19.644 19.000 0.035 0.000 1.152 556 A HN 0.745 nan 8.150 nan 0.000 0.544 557 T N 0.183 114.750 114.554 0.023 0.000 2.802 557 T HA 0.534 4.884 4.350 -0.000 0.000 0.311 557 T C 0.452 175.162 174.700 0.018 0.000 1.405 557 T CA 0.367 62.478 62.100 0.019 0.000 1.016 557 T CB 1.368 70.247 68.868 0.017 0.000 1.352 557 T HN 1.004 nan 8.240 nan 0.000 0.498 558 T N -0.805 113.758 114.554 0.015 0.000 3.145 558 T HA 0.380 4.730 4.350 -0.000 0.000 0.281 558 T C 0.239 174.945 174.700 0.009 0.000 1.003 558 T CA -0.299 61.807 62.100 0.011 0.000 0.901 558 T CB -0.008 68.865 68.868 0.009 0.000 1.112 558 T HN 0.565 nan 8.240 nan 0.000 0.535 559 E N 1.636 121.844 120.200 0.013 0.000 2.089 559 E HA 0.494 4.844 4.350 -0.000 0.000 0.284 559 E C 0.570 177.179 176.600 0.015 0.000 1.023 559 E CA -0.731 55.677 56.400 0.013 0.000 0.819 559 E CB 0.389 30.100 29.700 0.019 0.000 1.076 559 E HN 0.498 nan 8.360 nan 0.000 0.396 560 G N 2.664 111.470 108.800 0.009 0.000 2.353 560 G HA2 0.039 3.999 3.960 -0.000 0.000 0.239 560 G HA3 0.039 3.999 3.960 -0.000 0.000 0.239 560 G C 0.551 175.457 174.900 0.010 0.000 1.295 560 G CA 0.023 45.127 45.100 0.008 0.000 0.884 560 G HN 0.940 nan 8.290 nan 0.000 0.537 561 C N 0.961 120.268 119.300 0.012 0.000 5.538 561 C HA -0.193 4.267 4.460 -0.000 0.000 0.254 561 C C 2.313 177.320 174.990 0.028 0.000 1.712 561 C CA 0.556 59.583 59.018 0.014 0.000 1.530 561 C CB -1.982 25.761 27.740 0.004 0.000 2.410 561 C HN 0.834 nan 8.230 nan 0.000 0.564 562 L N 1.586 122.832 121.223 0.038 0.000 1.994 562 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 562 L C 2.314 179.217 176.870 0.054 0.000 1.071 562 L CA 2.718 57.596 54.840 0.063 0.000 0.745 562 L CB -0.707 41.387 42.059 0.059 0.000 0.892 562 L HN 0.329 nan 8.230 nan 0.000 0.431 563 V N 0.199 120.134 119.914 0.036 0.000 2.295 563 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 563 V C 2.803 178.915 176.094 0.030 0.000 1.049 563 V CA 1.708 64.026 62.300 0.030 0.000 1.024 563 V CB -1.481 30.356 31.823 0.024 0.000 0.648 563 V HN 0.614 nan 8.190 nan 0.000 0.447 564 A N -0.793 122.043 122.820 0.027 0.000 1.902 564 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 564 A C 2.557 180.157 177.584 0.027 0.000 1.181 564 A CA 2.260 54.311 52.037 0.023 0.000 0.623 564 A CB -0.755 18.255 19.000 0.017 0.000 0.818 564 A HN 0.476 nan 8.150 nan 0.000 0.443 565 S N -0.940 114.781 115.700 0.034 0.000 2.355 565 S HA -0.134 4.336 4.470 -0.000 0.000 0.222 565 S C 2.075 176.707 174.600 0.054 0.000 1.031 565 S CA 2.131 60.355 58.200 0.040 0.000 0.993 565 S CB -0.607 62.620 63.200 0.044 0.000 0.859 565 S HN 0.624 nan 8.310 nan 0.000 0.453 566 T N 1.882 116.475 114.554 0.065 0.000 2.759 566 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 566 T C 1.710 176.432 174.700 0.037 0.000 1.042 566 T CA 1.585 63.717 62.100 0.053 0.000 1.140 566 T CB -0.693 68.196 68.868 0.035 0.000 0.864 566 T HN 0.516 nan 8.240 nan 0.000 0.455 567 N N 0.926 119.646 118.700 0.033 0.000 2.166 567 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 567 N C 1.919 177.445 175.510 0.026 0.000 1.019 567 N CA 1.057 54.124 53.050 0.028 0.000 0.856 567 N CB -0.136 38.366 38.487 0.025 0.000 0.993 567 N HN 0.307 nan 8.380 nan 0.000 0.426 568 R N -0.576 119.940 120.500 0.026 0.000 2.092 568 R HA -0.035 4.305 4.340 -0.000 0.000 0.231 568 R C 2.108 178.421 176.300 0.023 0.000 1.119 568 R CA 1.478 57.591 56.100 0.021 0.000 0.970 568 R CB -0.640 29.671 30.300 0.018 0.000 0.864 568 R HN 0.325 nan 8.270 nan 0.000 0.440 569 G N 0.207 109.024 108.800 0.029 0.000 2.418 569 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 569 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 569 G C 1.532 176.446 174.900 0.024 0.000 1.158 569 G CA 0.978 46.095 45.100 0.028 0.000 0.771 569 G HN 0.425 nan 8.290 nan 0.000 0.545 570 C N -0.086 119.230 119.300 0.027 0.000 2.429 570 C HA 0.039 4.499 4.460 -0.000 0.000 0.277 570 C C 2.843 177.850 174.990 0.027 0.000 1.262 570 C CA 0.945 59.981 59.018 0.030 0.000 1.733 570 C CB -0.696 27.066 27.740 0.036 0.000 2.010 570 C HN 0.496 nan 8.230 nan 0.000 0.483 571 R N 1.856 122.370 120.500 0.023 0.000 2.081 571 R HA -0.061 4.278 4.340 -0.000 0.000 0.235 571 R C 2.139 178.450 176.300 0.017 0.000 1.131 571 R CA 2.163 58.274 56.100 0.019 0.000 0.960 571 R CB -0.855 29.455 30.300 0.017 0.000 0.856 571 R HN 0.440 nan 8.270 nan 0.000 0.436 572 A N 0.288 123.118 122.820 0.017 0.000 1.902 572 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 572 A C 2.323 179.916 177.584 0.015 0.000 1.181 572 A CA 1.693 53.739 52.037 0.014 0.000 0.623 572 A CB -0.591 18.416 19.000 0.013 0.000 0.818 572 A HN 0.376 nan 8.150 nan 0.000 0.443 573 I N -0.389 120.191 120.570 0.016 0.000 2.252 573 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 573 I C 2.702 178.832 176.117 0.022 0.000 1.102 573 I CA 1.124 62.434 61.300 0.018 0.000 1.385 573 I CB -0.588 37.424 38.000 0.020 0.000 1.064 573 I HN 0.391 nan 8.210 nan 0.000 0.414 574 G N 0.912 109.726 108.800 0.023 0.000 2.422 574 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 574 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 574 G C 1.613 176.523 174.900 0.017 0.000 1.146 574 G CA 0.463 45.576 45.100 0.021 0.000 0.769 574 G HN 0.306 nan 8.290 nan 0.000 0.547 575 L N 0.784 122.017 121.223 0.016 0.000 2.599 575 L HA 0.206 4.546 4.340 -0.000 0.000 0.230 575 L C 2.409 179.289 176.870 0.016 0.000 1.141 575 L CA 0.342 55.190 54.840 0.014 0.000 0.877 575 L CB 0.261 42.328 42.059 0.013 0.000 1.009 575 L HN 0.294 nan 8.230 nan 0.000 0.447 576 G N -1.450 107.362 108.800 0.019 0.000 3.393 576 G HA2 0.354 4.314 3.960 -0.000 0.000 0.255 576 G HA3 0.354 4.314 3.960 -0.000 0.000 0.255 576 G C 1.156 176.072 174.900 0.026 0.000 1.097 576 G CA 0.442 45.555 45.100 0.022 0.000 0.780 576 G HN 0.374 nan 8.290 nan 0.000 0.540 577 G N -1.336 107.478 108.800 0.023 0.000 2.175 577 G HA2 0.297 4.257 3.960 -0.000 0.000 0.244 577 G HA3 0.297 4.257 3.960 -0.000 0.000 0.244 577 G C 0.942 175.858 174.900 0.027 0.000 0.982 577 G CA 0.535 45.649 45.100 0.024 0.000 0.641 577 G HN 2.145 nan 8.290 nan 0.000 0.527 578 G N -1.205 107.612 108.800 0.029 0.000 2.661 578 G HA2 0.498 4.458 3.960 -0.000 0.000 0.685 578 G HA3 0.498 4.458 3.960 -0.000 0.000 0.685 578 G C 0.015 174.937 174.900 0.038 0.000 1.298 578 G CA 0.798 45.919 45.100 0.035 0.000 0.855 578 G HN 2.219 nan 8.290 nan 0.000 0.560 579 A N -0.405 122.441 122.820 0.045 0.000 2.311 579 A HA 0.957 5.277 4.320 -0.000 0.000 0.334 579 A C 0.307 177.921 177.584 0.049 0.000 1.139 579 A CA 0.459 52.519 52.037 0.039 0.000 0.830 579 A CB 1.661 20.679 19.000 0.030 0.000 1.234 579 A HN 1.896 nan 8.150 nan 0.000 0.483 580 S N 0.263 115.988 115.700 0.043 0.000 2.521 580 S HA 0.762 5.232 4.470 -0.000 0.000 0.295 580 S C -0.335 174.286 174.600 0.035 0.000 1.098 580 S CA -0.360 57.868 58.200 0.046 0.000 0.999 580 S CB 1.570 64.801 63.200 0.051 0.000 1.034 580 S HN 1.339 nan 8.310 nan 0.000 0.483 581 S N 2.636 118.355 115.700 0.032 0.000 2.595 581 S HA 0.820 5.290 4.470 -0.000 0.000 0.281 581 S C -1.462 173.149 174.600 0.017 0.000 1.117 581 S CA -1.105 57.106 58.200 0.018 0.000 0.873 581 S CB 1.573 64.775 63.200 0.003 0.000 1.108 581 S HN 0.511 nan 8.310 nan 0.000 0.477 582 R N 0.920 121.425 120.500 0.008 0.000 2.621 582 R HA 0.514 4.854 4.340 -0.000 0.000 0.284 582 R C -1.525 174.773 176.300 -0.003 0.000 0.998 582 R CA -0.714 55.390 56.100 0.006 0.000 0.895 582 R CB 1.878 32.182 30.300 0.007 0.000 1.195 582 R HN 0.623 nan 8.270 nan 0.000 0.450 583 V N 5.079 124.992 119.914 -0.003 0.000 2.432 583 V HA 0.175 4.295 4.120 -0.000 0.000 0.271 583 V C 1.548 177.636 176.094 -0.009 0.000 1.046 583 V CA -0.049 62.247 62.300 -0.007 0.000 0.945 583 V CB 0.996 32.817 31.823 -0.004 0.000 0.992 583 V HN 0.627 nan 8.190 nan 0.000 0.471 584 L N 3.940 125.152 121.223 -0.018 0.000 2.354 584 L HA 0.541 4.881 4.340 -0.000 0.000 0.212 584 L C 0.890 177.746 176.870 -0.024 0.000 1.091 584 L CA 0.740 55.566 54.840 -0.024 0.000 0.828 584 L CB -0.007 42.028 42.059 -0.040 0.000 0.973 584 L HN 0.730 nan 8.230 nan 0.000 0.461 585 A N -0.683 122.124 122.820 -0.021 0.000 2.612 585 A HA 0.610 4.930 4.320 -0.000 0.000 0.293 585 A C -1.956 175.624 177.584 -0.006 0.000 1.075 585 A CA -0.395 51.632 52.037 -0.016 0.000 0.680 585 A CB 1.831 20.813 19.000 -0.029 0.000 1.279 585 A HN -0.036 nan 8.150 nan 0.000 0.411 586 D N -0.262 120.141 120.400 0.005 0.000 2.763 586 D HA 0.576 5.216 4.640 -0.000 0.000 0.235 586 D C -0.521 175.795 176.300 0.027 0.000 1.334 586 D CA 0.850 54.859 54.000 0.015 0.000 0.950 586 D CB 1.591 42.402 40.800 0.019 0.000 1.433 586 D HN 1.423 nan 8.370 nan 0.000 0.580 587 G N 2.556 111.375 108.800 0.031 0.000 1.984 587 G HA2 0.369 4.329 3.960 -0.000 0.000 0.313 587 G HA3 0.369 4.329 3.960 -0.000 0.000 0.313 587 G C -0.894 174.038 174.900 0.054 0.000 1.632 587 G CA -0.905 44.224 45.100 0.049 0.000 0.963 587 G HN 0.362 nan 8.290 nan 0.000 0.595 588 M N 2.536 122.180 119.600 0.074 0.000 2.240 588 M HA 0.684 5.164 4.480 -0.000 0.000 0.333 588 M C 0.769 177.137 176.300 0.115 0.000 1.110 588 M CA -0.243 55.107 55.300 0.083 0.000 1.173 588 M CB 0.774 33.424 32.600 0.083 0.000 1.458 588 M HN 0.805 nan 8.290 nan 0.000 0.458 589 T N 2.120 116.739 114.554 0.110 0.000 2.907 589 T HA 0.860 5.210 4.350 -0.000 0.000 0.292 589 T C -0.938 173.865 174.700 0.170 0.000 1.043 589 T CA -1.020 61.164 62.100 0.141 0.000 1.003 589 T CB 1.707 70.625 68.868 0.083 0.000 1.084 589 T HN 0.752 nan 8.240 nan 0.000 0.483 590 R N 0.404 121.053 120.500 0.248 0.000 2.574 590 R HA 0.687 5.027 4.340 -0.000 0.000 0.288 590 R C -0.411 176.102 176.300 0.354 0.000 1.004 590 R CA -0.487 55.765 56.100 0.253 0.000 0.895 590 R CB 1.717 32.148 30.300 0.220 0.000 1.191 590 R HN 1.101 nan 8.270 nan 0.000 0.444 591 G N 5.330 114.322 108.800 0.320 0.000 4.106 591 G HA2 0.340 4.300 3.960 -0.000 0.000 0.344 591 G HA3 0.340 4.300 3.960 -0.000 0.000 0.344 591 G C -2.512 172.619 174.900 0.385 0.000 1.477 591 G CA -1.247 44.104 45.100 0.418 0.000 1.068 591 G HN 0.477 nan 8.290 nan 0.000 0.488 592 P HA 0.149 nan 4.420 nan 0.000 0.270 592 P C -0.128 177.253 177.300 0.136 0.000 1.223 592 P CA -0.194 63.043 63.100 0.228 0.000 0.785 592 P CB 2.217 34.052 31.700 0.225 0.000 0.923 593 V N 3.300 123.217 119.914 0.006 0.000 2.370 593 V HA 0.389 4.509 4.120 -0.000 0.000 0.283 593 V C -0.127 175.853 176.094 -0.190 0.000 1.023 593 V CA -0.670 61.462 62.300 -0.281 0.000 0.857 593 V CB 1.157 32.764 31.823 -0.360 0.000 0.985 593 V HN 0.428 nan 8.190 nan 0.000 0.443 594 V N 4.944 124.722 119.914 -0.226 0.000 2.881 594 V HA 0.792 4.912 4.120 -0.000 0.000 0.316 594 V C -0.451 175.544 176.094 -0.165 0.000 1.070 594 V CA -1.006 61.217 62.300 -0.129 0.000 0.976 594 V CB 1.997 33.789 31.823 -0.051 0.000 1.038 594 V HN 0.922 nan 8.190 nan 0.000 0.446 595 R N 2.212 122.654 120.500 -0.097 0.000 2.628 595 R HA 0.792 5.132 4.340 -0.000 0.000 0.288 595 R C -1.514 174.756 176.300 -0.050 0.000 0.980 595 R CA -0.535 55.515 56.100 -0.084 0.000 0.891 595 R CB 2.057 32.318 30.300 -0.064 0.000 1.188 595 R HN 0.711 nan 8.270 nan 0.000 0.450 596 L N 2.887 124.077 121.223 -0.056 0.000 2.304 596 L HA 0.532 4.872 4.340 -0.000 0.000 0.268 596 L C -1.627 175.230 176.870 -0.021 0.000 1.010 596 L CA -2.026 52.791 54.840 -0.037 0.000 0.813 596 L CB 1.567 43.586 42.059 -0.067 0.000 1.315 596 L HN 0.406 nan 8.230 nan 0.000 0.445 597 P HA -0.057 nan 4.420 nan 0.000 0.216 597 P C -0.487 176.810 177.300 -0.005 0.000 1.150 597 P CA 1.345 64.445 63.100 -0.001 0.000 0.837 597 P CB 0.288 31.992 31.700 0.007 0.000 0.786 598 R N -2.919 117.576 120.500 -0.009 0.000 2.836 598 R HA 0.625 4.965 4.340 -0.000 0.000 0.269 598 R C 0.844 177.134 176.300 -0.017 0.000 1.010 598 R CA -0.469 55.627 56.100 -0.008 0.000 0.930 598 R CB 0.791 31.091 30.300 -0.001 0.000 1.218 598 R HN -0.247 nan 8.270 nan 0.000 0.473 599 A N 0.262 123.074 122.820 -0.012 0.000 1.972 599 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 599 A C 1.652 179.226 177.584 -0.017 0.000 1.169 599 A CA 1.408 53.435 52.037 -0.016 0.000 0.635 599 A CB -0.727 18.270 19.000 -0.007 0.000 0.810 599 A HN 0.780 nan 8.150 nan 0.000 0.446 600 C N -0.191 119.104 119.300 -0.008 0.000 2.422 600 C HA -0.090 4.370 4.460 -0.000 0.000 0.279 600 C C 2.256 177.242 174.990 -0.007 0.000 1.305 600 C CA 1.007 60.024 59.018 -0.002 0.000 1.757 600 C CB -1.045 26.699 27.740 0.008 0.000 1.962 600 C HN 0.602 nan 8.230 nan 0.000 0.499 601 D N 1.065 121.455 120.400 -0.017 0.000 2.123 601 D HA -0.078 4.562 4.640 -0.000 0.000 0.200 601 D C 2.332 178.568 176.300 -0.105 0.000 0.976 601 D CA 1.809 55.789 54.000 -0.034 0.000 0.831 601 D CB -0.602 40.186 40.800 -0.019 0.000 0.974 601 D HN 0.613 nan 8.370 nan 0.000 0.469 602 S N 1.157 116.798 115.700 -0.097 0.000 2.382 602 S HA -0.072 4.398 4.470 -0.000 0.000 0.228 602 S C 2.221 176.752 174.600 -0.114 0.000 1.027 602 S CA 1.142 59.265 58.200 -0.129 0.000 0.991 602 S CB -0.331 62.813 63.200 -0.094 0.000 0.823 602 S HN 0.229 nan 8.310 nan 0.000 0.469 603 A N 1.858 124.638 122.820 -0.067 0.000 1.902 603 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 603 A C 2.212 179.777 177.584 -0.031 0.000 1.181 603 A CA 1.656 53.669 52.037 -0.040 0.000 0.623 603 A CB -0.899 18.091 19.000 -0.016 0.000 0.818 603 A HN 0.697 nan 8.150 nan 0.000 0.443 604 E N -0.185 119.995 120.200 -0.034 0.000 2.077 604 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 604 E C 1.888 178.466 176.600 -0.037 0.000 0.989 604 E CA 1.566 57.977 56.400 0.018 0.000 0.800 604 E CB -0.116 29.625 29.700 0.069 0.000 0.746 604 E HN 0.361 nan 8.360 nan 0.000 0.452 605 V N 1.435 121.154 119.914 -0.324 0.000 2.358 605 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 605 V C 2.515 178.561 176.094 -0.080 0.000 1.047 605 V CA 1.974 63.966 62.300 -0.513 0.000 1.035 605 V CB -0.552 30.820 31.823 -0.751 0.000 0.658 605 V HN 0.257 nan 8.190 nan 0.000 0.452 606 K N 0.364 120.723 120.400 -0.068 0.000 2.032 606 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 606 K C 2.221 178.843 176.600 0.036 0.000 1.048 606 K CA 1.742 58.020 56.287 -0.015 0.000 0.927 606 K CB -0.344 32.132 32.500 -0.040 0.000 0.712 606 K HN 0.433 nan 8.250 nan 0.000 0.441 607 A N 0.330 123.184 122.820 0.056 0.000 1.902 607 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 607 A C 1.915 179.578 177.584 0.131 0.000 1.181 607 A CA 1.451 53.532 52.037 0.074 0.000 0.623 607 A CB -1.046 18.002 19.000 0.079 0.000 0.818 607 A HN 0.708 nan 8.150 nan 0.000 0.443 608 W N 0.574 121.896 121.300 0.037 0.000 2.355 608 W HA -0.149 4.511 4.660 -0.000 0.000 0.309 608 W C 1.708 178.262 176.519 0.059 0.000 1.206 608 W CA 1.920 59.322 57.345 0.095 0.000 1.284 608 W CB -0.234 29.387 29.460 0.268 0.000 1.145 608 W HN 0.252 nan 8.180 nan 0.000 0.502 609 L N 0.271 121.690 121.223 0.326 0.000 2.275 609 L HA -0.154 4.186 4.340 -0.000 0.000 0.215 609 L C 2.024 178.906 176.870 0.021 0.000 1.119 609 L CA 1.339 56.290 54.840 0.186 0.000 0.790 609 L CB -0.637 41.546 42.059 0.206 0.000 0.919 609 L HN 0.035 nan 8.230 nan 0.000 0.443 610 E N -0.683 119.503 120.200 -0.023 0.000 2.371 610 E HA -0.041 4.308 4.350 -0.000 0.000 0.194 610 E C 0.870 177.402 176.600 -0.113 0.000 1.012 610 E CA 0.398 56.750 56.400 -0.080 0.000 0.860 610 E CB 0.189 29.849 29.700 -0.066 0.000 0.811 610 E HN 0.469 nan 8.360 nan 0.000 0.502 611 T N -1.039 113.427 114.554 -0.147 0.000 2.898 611 T HA 0.038 4.388 4.350 -0.000 0.000 0.301 611 T C 1.490 176.095 174.700 -0.159 0.000 1.049 611 T CA -0.031 61.965 62.100 -0.173 0.000 1.095 611 T CB 1.660 70.380 68.868 -0.247 0.000 0.976 611 T HN 0.023 nan 8.240 nan 0.000 0.539 612 S N 1.408 117.040 115.700 -0.113 0.000 2.368 612 S HA -0.188 4.282 4.470 -0.000 0.000 0.225 612 S C 1.780 176.340 174.600 -0.067 0.000 1.030 612 S CA 0.974 59.144 58.200 -0.051 0.000 0.999 612 S CB -0.568 62.608 63.200 -0.041 0.000 0.844 612 S HN 0.892 nan 8.310 nan 0.000 0.459 613 E N 1.938 122.044 120.200 -0.156 0.000 2.107 613 E HA -0.010 4.340 4.350 -0.000 0.000 0.191 613 E C 2.232 178.598 176.600 -0.390 0.000 0.982 613 E CA 1.197 57.478 56.400 -0.199 0.000 0.809 613 E CB -1.302 28.299 29.700 -0.165 0.000 0.756 613 E HN 0.593 nan 8.360 nan 0.000 0.459 614 G N 0.941 109.326 108.800 -0.691 0.000 2.421 614 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 614 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 614 G C 1.387 175.891 174.900 -0.661 0.000 1.171 614 G CA 0.748 45.010 45.100 -1.398 0.000 0.775 614 G HN 0.302 nan 8.290 nan 0.000 0.543 615 F N 2.481 122.185 119.950 -0.408 0.000 2.171 615 F HA 0.119 4.646 4.527 -0.000 0.000 0.300 615 F C 2.748 178.489 175.800 -0.098 0.000 1.090 615 F CA 1.128 59.021 58.000 -0.179 0.000 1.293 615 F CB -0.282 38.634 39.000 -0.139 0.000 1.013 615 F HN 0.225 nan 8.300 nan 0.000 0.486 616 A N -0.085 122.639 122.820 -0.160 0.000 1.908 616 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 616 A C 2.325 179.815 177.584 -0.158 0.000 1.181 616 A CA 2.087 54.021 52.037 -0.172 0.000 0.627 616 A CB -1.412 17.551 19.000 -0.060 0.000 0.818 616 A HN 0.272 nan 8.150 nan 0.000 0.445 617 V N 0.533 120.379 119.914 -0.113 0.000 2.343 617 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 617 V C 2.423 178.552 176.094 0.058 0.000 1.051 617 V CA 1.785 64.094 62.300 0.015 0.000 1.036 617 V CB -0.623 31.246 31.823 0.076 0.000 0.654 617 V HN 0.522 nan 8.190 nan 0.000 0.451 618 I N 0.109 120.696 120.570 0.029 0.000 2.315 618 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 618 I C 2.396 178.522 176.117 0.015 0.000 1.117 618 I CA 1.618 62.985 61.300 0.112 0.000 1.404 618 I CB -1.190 36.931 38.000 0.202 0.000 1.071 618 I HN 0.381 nan 8.210 nan 0.000 0.419 619 K N 1.201 121.429 120.400 -0.286 0.000 2.057 619 K HA -0.232 4.088 4.320 -0.000 0.000 0.207 619 K C 2.107 178.689 176.600 -0.030 0.000 1.049 619 K CA 1.613 57.728 56.287 -0.288 0.000 0.931 619 K CB -0.038 32.078 32.500 -0.639 0.000 0.714 619 K HN 0.254 nan 8.250 nan 0.000 0.440 620 E N -0.212 119.969 120.200 -0.032 0.000 2.077 620 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 620 E C 1.756 178.398 176.600 0.069 0.000 0.989 620 E CA 1.143 57.559 56.400 0.026 0.000 0.800 620 E CB -0.119 29.595 29.700 0.024 0.000 0.746 620 E HN 0.451 nan 8.360 nan 0.000 0.452 621 A N 0.367 123.245 122.820 0.097 0.000 1.898 621 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 621 A C 1.986 179.632 177.584 0.103 0.000 1.181 621 A CA 1.120 53.219 52.037 0.103 0.000 0.620 621 A CB -0.825 18.256 19.000 0.135 0.000 0.819 621 A HN 0.480 nan 8.150 nan 0.000 0.442 622 F N 1.082 121.039 119.950 0.012 0.000 2.075 622 F HA -0.181 4.346 4.527 -0.000 0.000 0.297 622 F C 1.602 177.408 175.800 0.010 0.000 1.113 622 F CA 2.104 60.108 58.000 0.007 0.000 1.218 622 F CB -0.042 38.989 39.000 0.051 0.000 0.984 622 F HN 0.221 nan 8.300 nan 0.000 0.472 623 D N -0.465 120.104 120.400 0.282 0.000 2.310 623 D HA -0.116 4.524 4.640 -0.000 0.000 0.212 623 D C 2.400 178.732 176.300 0.054 0.000 0.965 623 D CA 1.228 55.337 54.000 0.183 0.000 0.879 623 D CB -0.440 40.449 40.800 0.148 0.000 0.921 623 D HN 0.371 nan 8.370 nan 0.000 0.510 624 S N -0.442 115.272 115.700 0.023 0.000 2.481 624 S HA -0.117 4.353 4.470 -0.000 0.000 0.231 624 S C 1.923 176.500 174.600 -0.038 0.000 0.996 624 S CA 1.315 59.512 58.200 -0.005 0.000 0.942 624 S CB -0.579 62.623 63.200 0.003 0.000 0.768 624 S HN 0.317 nan 8.310 nan 0.000 0.520 625 T N -1.730 112.774 114.554 -0.083 0.000 3.023 625 T HA 0.239 4.588 4.350 -0.000 0.000 0.266 625 T C 0.729 175.388 174.700 -0.069 0.000 1.093 625 T CA 0.549 62.584 62.100 -0.108 0.000 1.129 625 T CB -0.182 68.559 68.868 -0.211 0.000 0.899 625 T HN 0.376 nan 8.240 nan 0.000 0.491 626 S N 0.244 115.919 115.700 -0.042 0.000 2.537 626 S HA 0.408 4.878 4.470 -0.000 0.000 0.270 626 S C 0.647 175.242 174.600 -0.009 0.000 1.142 626 S CA -0.965 57.242 58.200 0.011 0.000 0.870 626 S CB 1.637 64.886 63.200 0.081 0.000 1.112 626 S HN 0.478 nan 8.310 nan 0.000 0.466 627 R N 1.641 122.079 120.500 -0.103 0.000 2.235 627 R HA 0.094 4.434 4.340 -0.000 0.000 0.213 627 R C 0.561 176.667 176.300 -0.323 0.000 1.059 627 R CA 1.438 57.384 56.100 -0.258 0.000 0.997 627 R CB -0.509 29.547 30.300 -0.407 0.000 0.884 627 R HN 0.562 nan 8.270 nan 0.000 0.462 628 F N 1.468 121.437 119.950 0.032 0.000 2.754 628 F HA 0.346 4.873 4.527 -0.000 0.000 0.297 628 F C 1.251 177.099 175.800 0.079 0.000 1.122 628 F CA -0.223 57.804 58.000 0.046 0.000 1.400 628 F CB 0.196 39.218 39.000 0.037 0.000 1.117 628 F HN 0.029 nan 8.300 nan 0.000 0.587 629 A N 1.568 124.528 122.820 0.233 0.000 2.492 629 A HA 0.397 4.717 4.320 -0.000 0.000 0.254 629 A C 0.457 178.192 177.584 0.251 0.000 1.091 629 A CA -0.014 52.187 52.037 0.273 0.000 0.768 629 A CB 0.120 19.251 19.000 0.217 0.000 1.028 629 A HN 0.224 nan 8.150 nan 0.000 0.498 630 R N 3.345 124.004 120.500 0.266 0.000 2.850 630 R HA 0.179 4.519 4.340 -0.000 0.000 0.266 630 R C -1.622 174.753 176.300 0.125 0.000 1.782 630 R CA -0.668 55.537 56.100 0.174 0.000 1.310 630 R CB 0.665 31.044 30.300 0.132 0.000 1.337 630 R HN 0.727 nan 8.270 nan 0.000 0.546 631 L N 3.562 124.822 121.223 0.060 0.000 2.534 631 L HA 0.091 4.430 4.340 -0.000 0.000 0.271 631 L C 0.312 177.239 176.870 0.095 0.000 1.178 631 L CA 0.911 55.669 54.840 -0.137 0.000 0.907 631 L CB 0.636 42.478 42.059 -0.361 0.000 1.164 631 L HN 0.494 nan 8.230 nan 0.000 0.482 632 Q N 3.423 123.270 119.800 0.078 0.000 2.222 632 Q HA 0.248 4.588 4.340 -0.000 0.000 0.211 632 Q C -0.334 175.746 176.000 0.133 0.000 1.013 632 Q CA -0.841 55.030 55.803 0.113 0.000 0.993 632 Q CB 0.588 29.349 28.738 0.038 0.000 1.151 632 Q HN 0.479 nan 8.270 nan 0.000 0.544 633 K N 1.124 121.481 120.400 -0.072 0.000 2.511 633 K HA -0.007 4.313 4.320 -0.000 0.000 0.280 633 K C -0.765 175.756 176.600 -0.133 0.000 1.008 633 K CA 0.028 56.132 56.287 -0.304 0.000 1.050 633 K CB 0.157 32.487 32.500 -0.282 0.000 0.889 633 K HN 0.400 nan 8.250 nan 0.000 0.484 634 L N 3.899 125.033 121.223 -0.147 0.000 2.397 634 L HA 0.099 4.439 4.340 -0.000 0.000 0.271 634 L C 0.207 177.053 176.870 -0.040 0.000 1.148 634 L CA -0.184 54.613 54.840 -0.072 0.000 0.825 634 L CB 0.446 42.463 42.059 -0.069 0.000 1.117 634 L HN 0.664 nan 8.230 nan 0.000 0.456 635 H N 1.674 120.706 119.070 -0.063 0.000 2.541 635 H HA 0.394 4.950 4.556 -0.000 0.000 0.316 635 H C -0.614 174.767 175.328 0.089 0.000 1.043 635 H CA -0.526 55.531 56.048 0.014 0.000 1.232 635 H CB 1.032 30.815 29.762 0.035 0.000 1.406 635 H HN 0.643 nan 8.280 nan 0.000 0.469 636 T N 1.692 116.160 114.554 -0.143 0.000 2.863 636 T HA 0.521 4.871 4.350 -0.000 0.000 0.285 636 T C -0.535 174.118 174.700 -0.079 0.000 1.009 636 T CA -1.059 61.017 62.100 -0.039 0.000 0.989 636 T CB 1.677 70.502 68.868 -0.071 0.000 1.004 636 T HN 0.447 nan 8.240 nan 0.000 0.455 637 S N 2.027 117.700 115.700 -0.045 0.000 2.594 637 S HA 0.626 5.096 4.470 -0.000 0.000 0.296 637 S C -0.691 173.904 174.600 -0.009 0.000 1.124 637 S CA -0.830 57.339 58.200 -0.052 0.000 1.011 637 S CB 0.447 63.592 63.200 -0.091 0.000 1.016 637 S HN 0.726 nan 8.310 nan 0.000 0.485 638 I N 3.488 124.060 120.570 0.003 0.000 2.440 638 I HA 0.581 4.751 4.170 -0.000 0.000 0.294 638 I C 0.259 176.412 176.117 0.061 0.000 0.995 638 I CA -0.293 61.024 61.300 0.028 0.000 1.306 638 I CB 1.580 39.577 38.000 -0.006 0.000 1.407 638 I HN 0.757 nan 8.210 nan 0.000 0.501 639 A N 5.147 128.031 122.820 0.107 0.000 2.943 639 A HA 0.652 4.972 4.320 -0.000 0.000 0.327 639 A C 0.387 178.010 177.584 0.065 0.000 1.141 639 A CA 0.113 52.211 52.037 0.102 0.000 0.773 639 A CB 0.166 19.282 19.000 0.192 0.000 1.143 639 A HN 1.068 nan 8.150 nan 0.000 0.463 640 G N 2.841 111.659 108.800 0.031 0.000 2.565 640 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.295 640 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.295 640 G C 1.158 176.057 174.900 -0.002 0.000 1.165 640 G CA 0.900 46.008 45.100 0.014 0.000 0.977 640 G HN 1.547 nan 8.290 nan 0.000 0.546 641 R N 1.338 121.833 120.500 -0.009 0.000 2.299 641 R HA 0.155 4.495 4.340 -0.000 0.000 0.197 641 R C 0.278 176.543 176.300 -0.058 0.000 0.971 641 R CA 0.683 56.765 56.100 -0.030 0.000 1.030 641 R CB -0.274 30.012 30.300 -0.023 0.000 0.932 641 R HN 0.382 nan 8.270 nan 0.000 0.477 642 N N 1.391 120.058 118.700 -0.055 0.000 2.529 642 N HA 0.198 4.938 4.740 -0.000 0.000 0.278 642 N C -1.295 174.116 175.510 -0.164 0.000 1.146 642 N CA -0.365 52.600 53.050 -0.142 0.000 0.980 642 N CB 1.407 39.825 38.487 -0.115 0.000 1.124 642 N HN 0.089 nan 8.380 nan 0.000 0.458 643 L N 2.778 123.825 121.223 -0.293 0.000 2.376 643 L HA 0.434 4.774 4.340 -0.000 0.000 0.275 643 L C -1.783 174.858 176.870 -0.382 0.000 0.987 643 L CA -0.679 54.025 54.840 -0.228 0.000 0.828 643 L CB 0.727 42.697 42.059 -0.149 0.000 1.249 643 L HN 0.434 nan 8.230 nan 0.000 0.409 644 Y N 5.860 126.037 120.300 -0.205 0.000 2.353 644 Y HA 0.592 5.142 4.550 -0.000 0.000 0.340 644 Y C -0.096 175.707 175.900 -0.161 0.000 0.972 644 Y CA -0.423 57.509 58.100 -0.279 0.000 1.157 644 Y CB 1.112 39.111 38.460 -0.768 0.000 1.157 644 Y HN 0.393 nan 8.280 nan 0.000 0.495 645 I N 4.252 124.900 120.570 0.131 0.000 2.355 645 I HA 0.397 4.567 4.170 -0.000 0.000 0.288 645 I C -0.127 176.107 176.117 0.196 0.000 0.999 645 I CA -0.790 60.558 61.300 0.079 0.000 1.163 645 I CB 1.498 39.455 38.000 -0.071 0.000 1.316 645 I HN 0.452 nan 8.210 nan 0.000 0.454 646 R N 6.357 126.987 120.500 0.218 0.000 2.230 646 R HA 0.415 4.755 4.340 -0.000 0.000 0.337 646 R C -1.258 175.062 176.300 0.035 0.000 1.063 646 R CA -0.517 55.721 56.100 0.230 0.000 0.935 646 R CB 0.384 30.812 30.300 0.213 0.000 1.121 646 R HN 0.357 nan 8.270 nan 0.000 0.486 647 F N 2.445 122.482 119.950 0.145 0.000 2.427 647 F HA 0.215 4.742 4.527 -0.000 0.000 0.352 647 F C 0.637 176.445 175.800 0.013 0.000 1.100 647 F CA 0.137 58.163 58.000 0.044 0.000 1.191 647 F CB 1.281 40.345 39.000 0.107 0.000 1.128 647 F HN 0.376 nan 8.300 nan 0.000 0.533 648 Q N 2.487 122.332 119.800 0.075 0.000 2.323 648 Q HA 0.610 4.950 4.340 -0.000 0.000 0.271 648 Q C -1.331 174.676 176.000 0.011 0.000 1.048 648 Q CA -0.544 55.296 55.803 0.061 0.000 0.792 648 Q CB 2.079 30.840 28.738 0.038 0.000 1.280 648 Q HN 0.710 nan 8.270 nan 0.000 0.441 649 S N 2.761 118.518 115.700 0.095 0.000 2.547 649 S HA 0.514 4.983 4.470 -0.000 0.000 0.270 649 S C -1.201 173.489 174.600 0.149 0.000 1.150 649 S CA -0.732 57.548 58.200 0.133 0.000 0.850 649 S CB 1.361 64.721 63.200 0.267 0.000 1.118 649 S HN 0.737 nan 8.310 nan 0.000 0.461 650 R N 1.018 121.599 120.500 0.134 0.000 2.827 650 R HA 0.332 4.672 4.340 -0.000 0.000 0.269 650 R C 0.367 176.754 176.300 0.146 0.000 1.048 650 R CA 0.689 56.860 56.100 0.119 0.000 1.173 650 R CB 0.431 30.799 30.300 0.113 0.000 1.070 650 R HN 0.779 nan 8.270 nan 0.000 0.498 651 S N -0.665 115.087 115.700 0.085 0.000 3.041 651 S HA 0.241 4.711 4.470 -0.000 0.000 0.250 651 S C 0.690 175.194 174.600 -0.160 0.000 0.898 651 S CA -0.231 57.990 58.200 0.035 0.000 1.100 651 S CB 0.718 63.929 63.200 0.019 0.000 1.149 651 S HN 1.086 nan 8.310 nan 0.000 0.540 652 G N 3.030 111.748 108.800 -0.136 0.000 2.611 652 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.301 652 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.301 652 G C 0.120 174.875 174.900 -0.242 0.000 1.233 652 G CA 0.788 45.677 45.100 -0.353 0.000 0.993 652 G HN 0.471 nan 8.290 nan 0.000 0.553 653 D N 1.964 122.178 120.400 -0.310 0.000 2.349 653 D HA 0.417 5.057 4.640 -0.000 0.000 0.214 653 D C 1.339 177.539 176.300 -0.167 0.000 1.063 653 D CA 0.815 54.706 54.000 -0.180 0.000 0.847 653 D CB 0.225 40.938 40.800 -0.144 0.000 0.933 653 D HN 0.736 nan 8.370 nan 0.000 0.513 654 A N 1.001 123.699 122.820 -0.204 0.000 2.304 654 A HA 0.214 4.534 4.320 -0.000 0.000 0.271 654 A C 1.327 178.853 177.584 -0.097 0.000 1.091 654 A CA -0.406 51.544 52.037 -0.145 0.000 0.812 654 A CB 1.058 19.966 19.000 -0.153 0.000 1.056 654 A HN -0.010 nan 8.150 nan 0.000 0.489 655 M N 1.139 120.693 119.600 -0.077 0.000 2.159 655 M HA -0.048 4.432 4.480 -0.000 0.000 0.263 655 M C 1.353 177.642 176.300 -0.018 0.000 1.063 655 M CA 2.704 57.974 55.300 -0.049 0.000 1.110 655 M CB -0.763 31.806 32.600 -0.051 0.000 1.374 655 M HN 1.664 nan 8.290 nan 0.000 0.411 656 G N -0.945 107.844 108.800 -0.018 0.000 2.195 656 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.224 656 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.224 656 G C 0.901 175.820 174.900 0.031 0.000 0.990 656 G CA 0.533 45.638 45.100 0.008 0.000 0.639 656 G HN 0.381 nan 8.290 nan 0.000 0.514 657 M N 0.412 120.028 119.600 0.027 0.000 2.082 657 M HA -0.113 4.367 4.480 -0.000 0.000 0.258 657 M C 2.209 178.524 176.300 0.026 0.000 1.069 657 M CA 2.437 57.760 55.300 0.038 0.000 1.102 657 M CB -0.897 31.723 32.600 0.034 0.000 1.336 657 M HN 0.412 nan 8.290 nan 0.000 0.404 658 N N 0.199 118.905 118.700 0.009 0.000 2.120 658 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 658 N C 1.656 177.155 175.510 -0.019 0.000 1.024 658 N CA 1.306 54.354 53.050 -0.004 0.000 0.852 658 N CB -0.178 38.305 38.487 -0.008 0.000 1.003 658 N HN 0.260 nan 8.380 nan 0.000 0.424 659 M N -0.265 119.329 119.600 -0.011 0.000 2.099 659 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 659 M C 1.304 177.567 176.300 -0.062 0.000 1.067 659 M CA 1.213 56.498 55.300 -0.025 0.000 1.124 659 M CB -0.082 32.527 32.600 0.016 0.000 1.353 659 M HN 0.155 nan 8.290 nan 0.000 0.410 660 I N -0.170 120.415 120.570 0.025 0.000 2.252 660 I HA -0.207 3.962 4.170 -0.000 0.000 0.245 660 I C 2.380 178.499 176.117 0.002 0.000 1.102 660 I CA 1.215 62.582 61.300 0.112 0.000 1.385 660 I CB -1.618 36.520 38.000 0.229 0.000 1.064 660 I HN 0.279 nan 8.210 nan 0.000 0.414 661 S N 0.603 116.297 115.700 -0.010 0.000 2.368 661 S HA -0.207 4.263 4.470 -0.000 0.000 0.225 661 S C 2.028 176.559 174.600 -0.116 0.000 1.030 661 S CA 1.316 59.493 58.200 -0.037 0.000 0.999 661 S CB -0.193 63.002 63.200 -0.008 0.000 0.844 661 S HN 0.405 nan 8.310 nan 0.000 0.459 662 K N 0.944 121.260 120.400 -0.140 0.000 2.026 662 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 662 K C 2.257 178.678 176.600 -0.299 0.000 1.048 662 K CA 1.349 57.532 56.287 -0.173 0.000 0.929 662 K CB -0.575 31.842 32.500 -0.138 0.000 0.713 662 K HN 0.381 nan 8.250 nan 0.000 0.439 663 G N -0.116 108.366 108.800 -0.529 0.000 2.422 663 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 663 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 663 G C 1.398 175.867 174.900 -0.717 0.000 1.146 663 G CA 1.311 45.787 45.100 -1.041 0.000 0.769 663 G HN 0.329 nan 8.290 nan 0.000 0.547 664 T N 0.887 115.167 114.554 -0.457 0.000 2.708 664 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 664 T C 2.173 176.671 174.700 -0.337 0.000 1.037 664 T CA 1.537 63.333 62.100 -0.507 0.000 1.146 664 T CB -0.203 68.456 68.868 -0.348 0.000 0.865 664 T HN 0.458 nan 8.240 nan 0.000 0.435 665 E N 0.549 120.626 120.200 -0.205 0.000 2.085 665 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 665 E C 2.292 178.838 176.600 -0.089 0.000 0.994 665 E CA 1.114 57.444 56.400 -0.117 0.000 0.801 665 E CB -0.091 29.554 29.700 -0.092 0.000 0.743 665 E HN 0.211 nan 8.360 nan 0.000 0.453 666 K N 0.852 121.183 120.400 -0.115 0.000 2.057 666 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 666 K C 1.842 178.448 176.600 0.010 0.000 1.050 666 K CA 1.270 57.522 56.287 -0.058 0.000 0.935 666 K CB -0.264 32.181 32.500 -0.091 0.000 0.715 666 K HN 0.101 nan 8.250 nan 0.000 0.439 667 A N 0.482 123.306 122.820 0.006 0.000 1.902 667 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 667 A C 2.148 179.847 177.584 0.192 0.000 1.181 667 A CA 1.426 53.552 52.037 0.149 0.000 0.623 667 A CB -0.638 18.499 19.000 0.228 0.000 0.818 667 A HN 0.305 nan 8.150 nan 0.000 0.443 668 L N -0.822 120.463 121.223 0.105 0.000 2.093 668 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 668 L C 2.896 179.854 176.870 0.147 0.000 1.085 668 L CA 1.355 56.287 54.840 0.153 0.000 0.755 668 L CB -0.399 41.712 42.059 0.088 0.000 0.904 668 L HN 0.501 nan 8.230 nan 0.000 0.435 669 S N 0.125 115.882 115.700 0.095 0.000 2.368 669 S HA -0.236 4.234 4.470 -0.000 0.000 0.225 669 S C 2.062 176.760 174.600 0.164 0.000 1.030 669 S CA 1.734 59.993 58.200 0.098 0.000 0.999 669 S CB -0.023 63.204 63.200 0.044 0.000 0.844 669 S HN 0.218 nan 8.310 nan 0.000 0.459 670 K N 1.019 121.524 120.400 0.175 0.000 2.057 670 K HA 0.049 4.369 4.320 -0.000 0.000 0.206 670 K C 1.954 178.743 176.600 0.315 0.000 1.050 670 K CA 1.263 57.689 56.287 0.232 0.000 0.935 670 K CB -0.926 31.722 32.500 0.246 0.000 0.715 670 K HN 0.371 nan 8.250 nan 0.000 0.439 671 L N 0.849 122.250 121.223 0.295 0.000 2.131 671 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 671 L C 2.289 179.312 176.870 0.255 0.000 1.092 671 L CA 1.962 56.962 54.840 0.267 0.000 0.759 671 L CB -0.756 41.464 42.059 0.267 0.000 0.903 671 L HN 0.491 nan 8.230 nan 0.000 0.435 672 H N -0.474 118.678 119.070 0.136 0.000 2.457 672 H HA -0.129 4.427 4.556 -0.000 0.000 0.294 672 H C 1.796 177.138 175.328 0.023 0.000 1.064 672 H CA 1.580 57.680 56.048 0.086 0.000 1.330 672 H CB 0.406 30.201 29.762 0.054 0.000 1.395 672 H HN 0.555 nan 8.280 nan 0.000 0.541 673 E N -0.383 119.808 120.200 -0.014 0.000 2.106 673 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 673 E C 1.576 177.933 176.600 -0.406 0.000 0.984 673 E CA 1.117 57.392 56.400 -0.209 0.000 0.806 673 E CB 0.003 29.581 29.700 -0.204 0.000 0.750 673 E HN 0.578 nan 8.360 nan 0.000 0.458 674 Y N -1.181 118.910 120.300 -0.349 0.000 2.448 674 Y HA 0.050 4.600 4.550 -0.000 0.000 0.289 674 Y C 0.495 175.800 175.900 -0.992 0.000 1.114 674 Y CA 0.410 58.095 58.100 -0.692 0.000 1.235 674 Y CB 0.478 38.340 38.460 -0.997 0.000 1.045 674 Y HN -0.105 nan 8.280 nan 0.000 0.554 675 F N 1.074 120.894 119.950 -0.217 0.000 2.564 675 F HA 0.350 4.877 4.527 -0.000 0.000 0.361 675 F C -1.931 173.689 175.800 -0.300 0.000 1.161 675 F CA -2.506 55.363 58.000 -0.220 0.000 1.198 675 F CB 1.098 39.985 39.000 -0.187 0.000 1.424 675 F HN -0.163 nan 8.300 nan 0.000 0.517 676 P HA -0.142 nan 4.420 nan 0.000 0.225 676 P C 0.722 177.930 177.300 -0.153 0.000 1.148 676 P CA 1.323 64.143 63.100 -0.467 0.000 0.779 676 P CB 0.361 31.889 31.700 -0.287 0.000 0.780 677 E N -0.969 119.220 120.200 -0.018 0.000 2.481 677 E HA 0.052 4.402 4.350 -0.000 0.000 0.195 677 E C 1.068 177.718 176.600 0.084 0.000 1.047 677 E CA -0.202 56.225 56.400 0.046 0.000 0.867 677 E CB -0.140 29.584 29.700 0.039 0.000 0.858 677 E HN 0.284 nan 8.360 nan 0.000 0.513 678 M N 2.127 121.802 119.600 0.125 0.000 2.217 678 M HA -0.018 4.462 4.480 -0.000 0.000 0.352 678 M C -0.286 176.114 176.300 0.167 0.000 1.376 678 M CA 0.395 55.774 55.300 0.132 0.000 1.107 678 M CB 0.602 33.290 32.600 0.147 0.000 1.723 678 M HN -0.133 nan 8.290 nan 0.000 0.461 679 Q N 5.715 125.555 119.800 0.067 0.000 2.290 679 Q HA 0.391 4.731 4.340 -0.000 0.000 0.259 679 Q C -1.379 174.622 176.000 0.001 0.000 0.941 679 Q CA -0.560 55.261 55.803 0.029 0.000 0.912 679 Q CB 1.025 29.769 28.738 0.010 0.000 1.244 679 Q HN 0.805 nan 8.270 nan 0.000 0.441 680 I N 5.711 126.272 120.570 -0.015 0.000 2.329 680 I HA -0.045 4.125 4.170 -0.000 0.000 0.295 680 I C 0.978 177.083 176.117 -0.020 0.000 1.109 680 I CA -0.159 61.131 61.300 -0.016 0.000 1.297 680 I CB 0.577 38.564 38.000 -0.021 0.000 1.433 680 I HN 0.709 nan 8.210 nan 0.000 0.509 681 L N 6.986 128.194 121.223 -0.025 0.000 2.044 681 L HA 0.250 4.590 4.340 -0.000 0.000 0.205 681 L C 0.873 177.742 176.870 -0.001 0.000 1.075 681 L CA 1.263 56.092 54.840 -0.018 0.000 0.747 681 L CB 0.052 42.092 42.059 -0.032 0.000 0.903 681 L HN 0.690 nan 8.230 nan 0.000 0.435 682 A N -2.319 120.507 122.820 0.009 0.000 2.513 682 A HA 0.412 4.732 4.320 -0.000 0.000 0.296 682 A C 0.264 177.878 177.584 0.050 0.000 1.052 682 A CA 0.030 52.086 52.037 0.032 0.000 0.714 682 A CB 0.753 19.783 19.000 0.049 0.000 1.279 682 A HN -0.121 nan 8.150 nan 0.000 0.397 683 V N 1.578 121.520 119.914 0.047 0.000 2.720 683 V HA 0.007 4.127 4.120 -0.000 0.000 0.256 683 V C 1.009 177.163 176.094 0.101 0.000 1.082 683 V CA 2.638 64.974 62.300 0.059 0.000 1.101 683 V CB 0.154 31.994 31.823 0.028 0.000 0.693 683 V HN 1.074 nan 8.190 nan 0.000 0.479 684 S N -0.567 115.194 115.700 0.102 0.000 2.640 684 S HA 0.612 5.082 4.470 -0.000 0.000 0.320 684 S C 0.508 175.199 174.600 0.153 0.000 1.097 684 S CA -0.032 58.249 58.200 0.136 0.000 1.092 684 S CB 1.247 64.515 63.200 0.112 0.000 0.988 684 S HN 0.454 nan 8.310 nan 0.000 0.470 685 G N 3.078 112.009 108.800 0.219 0.000 3.523 685 G HA2 0.201 4.161 3.960 -0.000 0.000 0.270 685 G HA3 0.201 4.161 3.960 -0.000 0.000 0.270 685 G C 0.377 175.464 174.900 0.312 0.000 1.134 685 G CA -0.591 44.676 45.100 0.279 0.000 0.825 685 G HN 0.809 nan 8.290 nan 0.000 0.534 686 N N -1.482 117.355 118.700 0.230 0.000 2.753 686 N HA -0.230 4.509 4.740 -0.000 0.000 0.251 686 N C 0.304 175.947 175.510 0.222 0.000 1.097 686 N CA 0.775 53.934 53.050 0.181 0.000 0.786 686 N CB -1.577 36.988 38.487 0.130 0.000 1.137 686 N HN 0.524 nan 8.380 nan 0.000 0.566 687 Y N -0.323 120.054 120.300 0.128 0.000 2.457 687 Y HA 0.224 4.774 4.550 -0.000 0.000 0.263 687 Y C 1.753 177.711 175.900 0.097 0.000 1.164 687 Y CA -0.089 58.072 58.100 0.102 0.000 1.274 687 Y CB 0.053 38.629 38.460 0.194 0.000 1.097 687 Y HN 0.359 nan 8.280 nan 0.000 0.523 688 C N -0.745 118.624 119.300 0.115 0.000 2.455 688 C HA -0.079 4.381 4.460 -0.000 0.000 0.281 688 C C 1.170 176.140 174.990 -0.033 0.000 1.237 688 C CA 1.136 60.193 59.018 0.064 0.000 1.726 688 C CB -1.241 26.561 27.740 0.103 0.000 2.068 688 C HN 0.322 nan 8.230 nan 0.000 0.466 689 T N 0.765 115.301 114.554 -0.031 0.000 2.824 689 T HA 0.398 4.748 4.350 -0.000 0.000 0.280 689 T C -1.034 173.686 174.700 0.034 0.000 0.995 689 T CA 0.059 62.169 62.100 0.016 0.000 1.009 689 T CB 1.455 70.324 68.868 0.001 0.000 0.955 689 T HN 0.302 nan 8.240 nan 0.000 0.452 690 D N 1.883 122.315 120.400 0.053 0.000 2.280 690 D HA 0.327 4.967 4.640 -0.000 0.000 0.236 690 D C 0.138 176.466 176.300 0.047 0.000 1.082 690 D CA -0.445 53.587 54.000 0.053 0.000 0.834 690 D CB 0.448 41.285 40.800 0.062 0.000 1.100 690 D HN 0.517 nan 8.370 nan 0.000 0.486 691 K N 0.735 121.161 120.400 0.042 0.000 3.341 691 K HA -0.233 4.087 4.320 -0.000 0.000 0.305 691 K C -0.570 176.045 176.600 0.025 0.000 1.270 691 K CA 0.829 57.138 56.287 0.035 0.000 0.897 691 K CB -0.915 31.609 32.500 0.039 0.000 1.264 691 K HN 0.322 nan 8.250 nan 0.000 0.468 692 K N 0.225 120.639 120.400 0.023 0.000 2.426 692 K HA 0.370 4.690 4.320 -0.000 0.000 0.251 692 K C -2.694 173.909 176.600 0.006 0.000 0.941 692 K CA -2.109 54.186 56.287 0.014 0.000 0.808 692 K CB 1.378 33.890 32.500 0.020 0.000 1.265 692 K HN -0.227 nan 8.250 nan 0.000 0.432 693 P HA 0.217 nan 4.420 nan 0.000 0.268 693 P C -1.367 175.927 177.300 -0.010 0.000 1.204 693 P CA -0.337 62.752 63.100 -0.017 0.000 0.768 693 P CB 0.959 32.636 31.700 -0.039 0.000 0.842 694 A N 2.350 125.169 122.820 -0.002 0.000 2.491 694 A HA 0.552 4.872 4.320 -0.000 0.000 0.293 694 A C 0.900 178.501 177.584 0.029 0.000 1.047 694 A CA -0.117 51.920 52.037 0.001 0.000 0.735 694 A CB 1.142 20.134 19.000 -0.014 0.000 1.281 694 A HN 0.398 nan 8.150 nan 0.000 0.398 695 A N 2.001 124.841 122.820 0.033 0.000 2.024 695 A HA -0.084 4.236 4.320 -0.000 0.000 0.220 695 A C 1.783 179.422 177.584 0.093 0.000 1.164 695 A CA 1.856 53.952 52.037 0.098 0.000 0.643 695 A CB -0.585 18.462 19.000 0.079 0.000 0.806 695 A HN 1.263 nan 8.150 nan 0.000 0.451 696 I N -0.168 120.389 120.570 -0.021 0.000 2.286 696 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 696 I C 1.855 177.913 176.117 -0.098 0.000 1.115 696 I CA 1.639 62.859 61.300 -0.133 0.000 1.392 696 I CB -0.168 37.633 38.000 -0.331 0.000 1.065 696 I HN 0.291 nan 8.210 nan 0.000 0.418 697 N N 0.398 119.082 118.700 -0.026 0.000 2.188 697 N HA -0.247 4.492 4.740 -0.000 0.000 0.184 697 N C 1.462 177.026 175.510 0.089 0.000 1.018 697 N CA 1.424 54.483 53.050 0.015 0.000 0.858 697 N CB -0.620 37.894 38.487 0.044 0.000 0.989 697 N HN 0.620 nan 8.380 nan 0.000 0.426 698 W N 1.392 122.662 121.300 -0.050 0.000 2.381 698 W HA -0.050 4.610 4.660 -0.000 0.000 0.301 698 W C 1.433 177.932 176.519 -0.035 0.000 1.205 698 W CA 0.816 58.146 57.345 -0.025 0.000 1.285 698 W CB -0.099 29.361 29.460 0.000 0.000 1.133 698 W HN -0.008 nan 8.180 nan 0.000 0.521 699 I N 0.372 120.918 120.570 -0.041 0.000 2.429 699 I HA -0.179 3.991 4.170 -0.000 0.000 0.247 699 I C 2.229 178.245 176.117 -0.167 0.000 1.099 699 I CA 0.994 62.203 61.300 -0.151 0.000 1.422 699 I CB -0.438 37.545 38.000 -0.029 0.000 1.112 699 I HN -0.227 nan 8.210 nan 0.000 0.430 700 E N 0.968 121.079 120.200 -0.147 0.000 2.340 700 E HA 0.201 4.551 4.350 -0.000 0.000 0.194 700 E C 0.967 177.491 176.600 -0.126 0.000 0.996 700 E CA 0.636 56.944 56.400 -0.154 0.000 0.869 700 E CB 0.103 29.668 29.700 -0.226 0.000 0.835 700 E HN 0.399 nan 8.360 nan 0.000 0.493 701 G N 1.558 110.290 108.800 -0.114 0.000 2.712 701 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.686 701 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.686 701 G C -0.577 174.293 174.900 -0.049 0.000 1.321 701 G CA -0.167 44.885 45.100 -0.079 0.000 0.813 701 G HN 0.194 nan 8.290 nan 0.000 0.599 702 R N 0.827 121.316 120.500 -0.017 0.000 2.535 702 R HA 0.598 4.938 4.340 -0.000 0.000 0.274 702 R C 1.045 177.358 176.300 0.021 0.000 1.090 702 R CA 0.801 56.902 56.100 0.003 0.000 0.930 702 R CB 1.137 31.444 30.300 0.011 0.000 1.223 702 R HN 2.764 nan 8.270 nan 0.000 0.441 703 G N 3.546 112.362 108.800 0.026 0.000 2.543 703 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.286 703 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.286 703 G C -1.082 173.829 174.900 0.017 0.000 1.153 703 G CA 0.041 45.158 45.100 0.028 0.000 0.968 703 G HN 0.489 nan 8.290 nan 0.000 0.544 704 K N 1.311 121.722 120.400 0.018 0.000 2.211 704 K HA 0.590 4.910 4.320 -0.000 0.000 0.275 704 K C -0.591 176.009 176.600 -0.000 0.000 1.024 704 K CA -0.282 56.009 56.287 0.007 0.000 0.887 704 K CB 1.669 34.173 32.500 0.007 0.000 1.084 704 K HN 0.382 nan 8.250 nan 0.000 0.463 705 S N 1.847 117.537 115.700 -0.016 0.000 2.438 705 S HA 0.437 4.907 4.470 -0.000 0.000 0.293 705 S C -0.141 174.441 174.600 -0.030 0.000 1.141 705 S CA -0.759 57.421 58.200 -0.034 0.000 1.080 705 S CB 0.928 64.092 63.200 -0.059 0.000 0.978 705 S HN 0.282 nan 8.310 nan 0.000 0.479 706 V N 3.423 123.321 119.914 -0.027 0.000 2.876 706 V HA 0.671 4.791 4.120 -0.000 0.000 0.312 706 V C -0.471 175.609 176.094 -0.022 0.000 1.085 706 V CA -0.777 61.511 62.300 -0.020 0.000 0.945 706 V CB 2.053 33.868 31.823 -0.013 0.000 1.017 706 V HN 0.577 nan 8.190 nan 0.000 0.428 707 V N 3.193 123.097 119.914 -0.016 0.000 2.735 707 V HA 0.789 4.909 4.120 -0.000 0.000 0.310 707 V C -0.967 175.124 176.094 -0.005 0.000 1.061 707 V CA -0.216 62.078 62.300 -0.010 0.000 0.913 707 V CB 1.883 33.702 31.823 -0.007 0.000 1.005 707 V HN 1.146 nan 8.190 nan 0.000 0.428 708 C N 5.795 125.090 119.300 -0.009 0.000 2.797 708 C HA 0.928 5.388 4.460 -0.000 0.000 0.306 708 C C -0.948 174.021 174.990 -0.035 0.000 1.207 708 C CA -0.083 58.927 59.018 -0.013 0.000 1.507 708 C CB 1.465 29.193 27.740 -0.021 0.000 2.028 708 C HN 1.107 nan 8.230 nan 0.000 0.475 709 E N 3.168 123.349 120.200 -0.031 0.000 2.413 709 E HA 0.825 5.175 4.350 -0.000 0.000 0.277 709 E C -1.331 175.232 176.600 -0.060 0.000 0.958 709 E CA -0.763 55.582 56.400 -0.091 0.000 0.779 709 E CB 1.925 31.636 29.700 0.019 0.000 1.278 709 E HN 1.164 nan 8.360 nan 0.000 0.456 710 A N 0.876 123.619 122.820 -0.129 0.000 2.608 710 A HA 0.573 4.893 4.320 -0.000 0.000 0.292 710 A C -1.630 175.944 177.584 -0.018 0.000 1.066 710 A CA -0.711 51.305 52.037 -0.034 0.000 0.676 710 A CB 1.883 20.866 19.000 -0.030 0.000 1.277 710 A HN 0.360 nan 8.150 nan 0.000 0.413 711 V N 2.584 122.536 119.914 0.064 0.000 2.409 711 V HA 0.431 4.551 4.120 -0.000 0.000 0.291 711 V C -0.701 175.423 176.094 0.050 0.000 1.020 711 V CA -0.479 61.877 62.300 0.094 0.000 0.848 711 V CB 1.341 33.247 31.823 0.138 0.000 0.990 711 V HN 0.638 nan 8.190 nan 0.000 0.430 712 I N 6.550 127.143 120.570 0.038 0.000 2.312 712 I HA 0.411 4.581 4.170 -0.000 0.000 0.290 712 I C -2.406 173.729 176.117 0.031 0.000 1.008 712 I CA -2.855 58.461 61.300 0.027 0.000 1.226 712 I CB 1.293 39.302 38.000 0.015 0.000 1.371 712 I HN 0.338 nan 8.210 nan 0.000 0.468 713 P HA 0.078 nan 4.420 nan 0.000 0.267 713 P C 0.740 178.053 177.300 0.021 0.000 1.200 713 P CA 0.022 63.137 63.100 0.025 0.000 0.772 713 P CB 0.867 32.580 31.700 0.021 0.000 0.855 714 A N 4.064 126.896 122.820 0.021 0.000 1.948 714 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 714 A C 2.087 179.680 177.584 0.014 0.000 1.177 714 A CA 1.920 53.967 52.037 0.018 0.000 0.636 714 A CB -1.135 17.874 19.000 0.017 0.000 0.815 714 A HN 0.603 nan 8.150 nan 0.000 0.449 715 K N -0.334 120.074 120.400 0.013 0.000 2.057 715 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 715 K C 1.780 178.386 176.600 0.011 0.000 1.049 715 K CA 1.773 58.067 56.287 0.011 0.000 0.931 715 K CB -0.264 32.242 32.500 0.010 0.000 0.714 715 K HN 0.275 nan 8.250 nan 0.000 0.440 716 V N 0.837 120.758 119.914 0.012 0.000 2.427 716 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 716 V C 2.343 178.443 176.094 0.011 0.000 1.051 716 V CA 1.307 63.614 62.300 0.012 0.000 1.048 716 V CB -0.090 31.741 31.823 0.014 0.000 0.666 716 V HN 0.144 nan 8.190 nan 0.000 0.456 717 V N -0.027 119.894 119.914 0.012 0.000 2.407 717 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 717 V C 2.547 178.647 176.094 0.009 0.000 1.055 717 V CA 2.335 64.642 62.300 0.011 0.000 1.049 717 V CB -0.784 31.047 31.823 0.013 0.000 0.662 717 V HN 0.455 nan 8.190 nan 0.000 0.455 718 R N -0.311 120.194 120.500 0.009 0.000 2.062 718 R HA -0.124 4.215 4.340 -0.000 0.000 0.229 718 R C 2.378 178.682 176.300 0.006 0.000 1.128 718 R CA 1.702 57.806 56.100 0.007 0.000 0.960 718 R CB -0.045 30.259 30.300 0.007 0.000 0.855 718 R HN 0.622 nan 8.270 nan 0.000 0.432 719 E N -0.773 119.431 120.200 0.007 0.000 2.060 719 E HA -0.087 4.263 4.350 -0.000 0.000 0.189 719 E C 1.946 178.550 176.600 0.006 0.000 0.974 719 E CA 1.087 57.491 56.400 0.006 0.000 0.808 719 E CB 0.274 29.978 29.700 0.006 0.000 0.768 719 E HN 0.105 nan 8.360 nan 0.000 0.453 720 V N 1.076 120.994 119.914 0.007 0.000 2.379 720 V HA -0.114 4.006 4.120 -0.000 0.000 0.243 720 V C 2.040 178.138 176.094 0.007 0.000 1.035 720 V CA 1.168 63.473 62.300 0.008 0.000 1.035 720 V CB -0.160 31.668 31.823 0.010 0.000 0.673 720 V HN 0.214 nan 8.190 nan 0.000 0.457 721 L N -0.395 120.832 121.223 0.006 0.000 2.567 721 L HA 0.184 4.524 4.340 -0.000 0.000 0.225 721 L C 0.730 177.602 176.870 0.002 0.000 1.119 721 L CA 0.059 54.902 54.840 0.005 0.000 0.871 721 L CB -0.067 41.995 42.059 0.006 0.000 1.036 721 L HN 0.246 nan 8.230 nan 0.000 0.459 722 K N 0.654 121.055 120.400 0.003 0.000 3.071 722 K HA -0.187 4.133 4.320 -0.000 0.000 0.265 722 K C 0.167 176.767 176.600 0.001 0.000 1.060 722 K CA 1.023 57.310 56.287 0.001 0.000 0.767 722 K CB -2.267 30.233 32.500 -0.000 0.000 1.241 722 K HN 0.465 nan 8.250 nan 0.000 0.486 723 T N -1.590 112.965 114.554 0.002 0.000 2.626 723 T HA 0.580 4.930 4.350 -0.000 0.000 0.299 723 T C -1.128 173.575 174.700 0.005 0.000 1.181 723 T CA 0.313 62.415 62.100 0.003 0.000 1.053 723 T CB 1.767 70.636 68.868 0.001 0.000 1.566 723 T HN 0.266 nan 8.240 nan 0.000 0.486 724 T N -1.090 113.468 114.554 0.006 0.000 2.924 724 T HA 0.487 4.837 4.350 -0.000 0.000 0.291 724 T C 1.113 175.821 174.700 0.012 0.000 1.045 724 T CA -0.203 61.902 62.100 0.009 0.000 1.015 724 T CB 1.100 69.974 68.868 0.009 0.000 1.103 724 T HN 0.477 nan 8.240 nan 0.000 0.496 725 T N 0.566 115.129 114.554 0.016 0.000 2.720 725 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 725 T C 1.649 176.362 174.700 0.021 0.000 1.037 725 T CA 1.894 64.006 62.100 0.021 0.000 1.144 725 T CB -0.408 68.475 68.868 0.026 0.000 0.864 725 T HN 0.845 nan 8.240 nan 0.000 0.444 726 E N 0.730 120.941 120.200 0.018 0.000 2.058 726 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 726 E C 2.394 179.003 176.600 0.014 0.000 0.997 726 E CA 1.110 57.520 56.400 0.016 0.000 0.801 726 E CB -0.210 29.498 29.700 0.013 0.000 0.746 726 E HN 0.488 nan 8.360 nan 0.000 0.450 727 A N 0.843 123.669 122.820 0.011 0.000 1.902 727 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 727 A C 2.182 179.772 177.584 0.010 0.000 1.181 727 A CA 1.459 53.501 52.037 0.009 0.000 0.623 727 A CB -0.375 18.628 19.000 0.005 0.000 0.818 727 A HN 0.271 nan 8.150 nan 0.000 0.443 728 M N -0.458 119.148 119.600 0.011 0.000 2.086 728 M HA -0.095 4.385 4.480 -0.000 0.000 0.261 728 M C 2.211 178.522 176.300 0.017 0.000 1.067 728 M CA 1.458 56.765 55.300 0.012 0.000 1.116 728 M CB -1.152 31.455 32.600 0.012 0.000 1.348 728 M HN 0.431 nan 8.290 nan 0.000 0.407 729 I N -0.269 120.314 120.570 0.023 0.000 2.179 729 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 729 I C 2.408 178.540 176.117 0.025 0.000 1.088 729 I CA 1.265 62.582 61.300 0.029 0.000 1.357 729 I CB -0.441 37.579 38.000 0.033 0.000 1.051 729 I HN 0.246 nan 8.210 nan 0.000 0.409 730 E N 0.713 120.924 120.200 0.020 0.000 2.077 730 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 730 E C 2.179 178.789 176.600 0.016 0.000 0.989 730 E CA 1.267 57.677 56.400 0.017 0.000 0.800 730 E CB -0.115 29.593 29.700 0.012 0.000 0.746 730 E HN 0.241 nan 8.360 nan 0.000 0.452 731 V N 0.884 120.806 119.914 0.013 0.000 2.358 731 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 731 V C 2.155 178.258 176.094 0.017 0.000 1.047 731 V CA 1.937 64.243 62.300 0.010 0.000 1.035 731 V CB -0.752 31.073 31.823 0.003 0.000 0.658 731 V HN 0.332 nan 8.190 nan 0.000 0.452 732 N N 0.291 119.005 118.700 0.022 0.000 2.084 732 N HA -0.144 4.596 4.740 -0.000 0.000 0.190 732 N C 1.658 177.193 175.510 0.042 0.000 1.030 732 N CA 1.697 54.766 53.050 0.032 0.000 0.849 732 N CB -0.230 38.278 38.487 0.034 0.000 1.012 732 N HN 0.462 nan 8.380 nan 0.000 0.423 733 I N 0.301 120.894 120.570 0.038 0.000 2.179 733 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 733 I C 1.507 177.649 176.117 0.041 0.000 1.088 733 I CA 1.033 62.358 61.300 0.041 0.000 1.357 733 I CB -0.296 37.724 38.000 0.033 0.000 1.051 733 I HN 0.281 nan 8.210 nan 0.000 0.409 734 N N 0.279 118.997 118.700 0.030 0.000 2.446 734 N HA -0.099 4.641 4.740 -0.000 0.000 0.179 734 N C 1.656 177.178 175.510 0.020 0.000 1.054 734 N CA 0.652 53.717 53.050 0.024 0.000 0.905 734 N CB 0.252 38.748 38.487 0.015 0.000 0.973 734 N HN 0.451 nan 8.380 nan 0.000 0.448 735 K N 0.882 121.295 120.400 0.021 0.000 2.157 735 K HA 0.107 4.427 4.320 -0.000 0.000 0.207 735 K C 1.092 177.706 176.600 0.023 0.000 1.030 735 K CA 0.355 56.648 56.287 0.011 0.000 0.965 735 K CB 0.202 32.704 32.500 0.003 0.000 0.877 735 K HN -0.133 nan 8.250 nan 0.000 0.460 736 N N 0.922 119.650 118.700 0.047 0.000 2.409 736 N HA -0.013 4.727 4.740 -0.000 0.000 0.179 736 N C 1.710 177.330 175.510 0.182 0.000 1.032 736 N CA 0.785 53.884 53.050 0.083 0.000 0.898 736 N CB 0.166 38.707 38.487 0.089 0.000 0.971 736 N HN 0.228 nan 8.380 nan 0.000 0.441 737 L N -0.838 120.482 121.223 0.161 0.000 2.416 737 L HA 0.131 4.471 4.340 -0.000 0.000 0.188 737 L C 2.035 179.011 176.870 0.176 0.000 1.145 737 L CA 0.274 55.245 54.840 0.219 0.000 0.826 737 L CB -0.622 41.504 42.059 0.111 0.000 1.064 737 L HN -0.167 nan 8.230 nan 0.000 0.490 738 V N 0.664 120.634 119.914 0.094 0.000 2.343 738 V HA -0.165 3.954 4.120 -0.000 0.000 0.247 738 V C 2.600 178.718 176.094 0.040 0.000 1.051 738 V CA 2.066 64.404 62.300 0.063 0.000 1.036 738 V CB -1.434 30.412 31.823 0.039 0.000 0.654 738 V HN 0.594 nan 8.190 nan 0.000 0.451 739 G N -0.318 108.496 108.800 0.023 0.000 2.433 739 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 739 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 739 G C 1.845 176.718 174.900 -0.046 0.000 1.186 739 G CA 1.219 46.313 45.100 -0.011 0.000 0.779 739 G HN 0.508 nan 8.290 nan 0.000 0.543 740 S N 1.038 116.694 115.700 -0.074 0.000 2.382 740 S HA 0.002 4.472 4.470 -0.000 0.000 0.228 740 S C 2.759 177.245 174.600 -0.191 0.000 1.027 740 S CA 1.157 59.223 58.200 -0.223 0.000 0.991 740 S CB -0.344 62.575 63.200 -0.468 0.000 0.823 740 S HN 0.604 nan 8.310 nan 0.000 0.469 741 A N 1.908 124.722 122.820 -0.010 0.000 1.877 741 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 741 A C 2.073 179.657 177.584 -0.001 0.000 1.186 741 A CA 1.458 53.529 52.037 0.056 0.000 0.620 741 A CB -0.516 18.559 19.000 0.125 0.000 0.822 741 A HN 0.366 nan 8.150 nan 0.000 0.443 742 M N -0.352 119.242 119.600 -0.010 0.000 2.229 742 M HA -0.022 4.458 4.480 -0.000 0.000 0.264 742 M C 2.262 178.539 176.300 -0.038 0.000 1.063 742 M CA 1.289 56.579 55.300 -0.017 0.000 1.114 742 M CB -1.546 31.046 32.600 -0.013 0.000 1.387 742 M HN 0.472 nan 8.290 nan 0.000 0.420 743 A N -0.486 122.296 122.820 -0.064 0.000 2.167 743 A HA 0.376 4.696 4.320 -0.000 0.000 0.214 743 A C 1.526 179.056 177.584 -0.090 0.000 1.151 743 A CA 0.881 52.869 52.037 -0.080 0.000 0.735 743 A CB -0.819 18.118 19.000 -0.105 0.000 0.802 743 A HN 0.640 nan 8.150 nan 0.000 0.467 744 G N -0.219 108.528 108.800 -0.088 0.000 2.289 744 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.280 744 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.280 744 G C 0.136 174.954 174.900 -0.136 0.000 1.089 744 G CA 0.524 45.574 45.100 -0.083 0.000 0.939 744 G HN 1.019 nan 8.290 nan 0.000 0.499 745 S N -0.429 115.137 115.700 -0.225 0.000 2.525 745 S HA 0.719 5.189 4.470 -0.000 0.000 0.278 745 S C 0.527 174.916 174.600 -0.351 0.000 1.234 745 S CA -0.840 57.149 58.200 -0.351 0.000 1.058 745 S CB 0.358 63.216 63.200 -0.570 0.000 0.983 745 S HN 0.404 nan 8.310 nan 0.000 0.495 746 I N 4.478 124.852 120.570 -0.326 0.000 2.359 746 I HA 0.382 4.552 4.170 -0.000 0.000 0.284 746 I C 1.304 177.061 176.117 -0.599 0.000 1.018 746 I CA 0.125 61.207 61.300 -0.363 0.000 1.173 746 I CB 0.123 37.995 38.000 -0.213 0.000 1.326 746 I HN 1.027 nan 8.210 nan 0.000 0.462 747 G N 4.867 113.063 108.800 -1.007 0.000 2.176 747 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.253 747 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.253 747 G C 0.812 175.328 174.900 -0.640 0.000 0.979 747 G CA -0.012 44.263 45.100 -1.375 0.000 0.641 747 G HN 0.899 nan 8.290 nan 0.000 0.530 748 G N -0.124 108.318 108.800 -0.595 0.000 4.084 748 G HA2 0.479 4.439 3.960 -0.000 0.000 0.293 748 G HA3 0.479 4.439 3.960 -0.000 0.000 0.293 748 G C 0.060 174.696 174.900 -0.441 0.000 1.303 748 G CA -0.457 44.397 45.100 -0.411 0.000 1.289 748 G HN 0.393 nan 8.290 nan 0.000 0.609 749 Y N 1.583 121.790 120.300 -0.155 0.000 2.880 749 Y HA 0.249 4.799 4.550 -0.000 0.000 0.386 749 Y C 0.691 176.587 175.900 -0.006 0.000 1.172 749 Y CA -0.860 57.204 58.100 -0.061 0.000 1.770 749 Y CB -0.311 38.137 38.460 -0.020 0.000 1.809 749 Y HN 0.585 nan 8.280 nan 0.000 0.472 750 N N -1.966 116.764 118.700 0.051 0.000 2.934 750 N HA 0.646 5.386 4.740 -0.000 0.000 0.253 750 N C 0.054 175.585 175.510 0.036 0.000 1.466 750 N CA -0.499 52.586 53.050 0.059 0.000 0.858 750 N CB 0.722 39.244 38.487 0.059 0.000 1.459 750 N HN -0.045 nan 8.380 nan 0.000 0.532 751 A N -0.227 122.637 122.820 0.072 0.000 1.844 751 A HA 0.076 4.396 4.320 -0.000 0.000 0.212 751 A C 0.792 178.464 177.584 0.145 0.000 1.221 751 A CA 1.662 53.745 52.037 0.078 0.000 0.607 751 A CB -0.988 18.058 19.000 0.076 0.000 0.878 751 A HN 0.997 nan 8.150 nan 0.000 0.451 752 H N -4.702 114.351 119.070 -0.028 0.000 3.237 752 H HA 0.661 5.217 4.556 -0.000 0.000 0.224 752 H C 0.744 176.049 175.328 -0.037 0.000 1.370 752 H CA 0.106 56.133 56.048 -0.035 0.000 1.112 752 H CB -0.139 29.604 29.762 -0.031 0.000 2.482 752 H HN 0.272 nan 8.280 nan 0.000 0.561 753 A N 1.332 124.098 122.820 -0.091 0.000 1.917 753 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 753 A C 2.604 180.084 177.584 -0.173 0.000 1.182 753 A CA 2.156 54.105 52.037 -0.147 0.000 0.633 753 A CB -0.997 17.963 19.000 -0.065 0.000 0.819 753 A HN 0.777 nan 8.150 nan 0.000 0.448 754 A N 0.009 122.754 122.820 -0.125 0.000 1.948 754 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 754 A C 1.963 179.465 177.584 -0.136 0.000 1.177 754 A CA 2.009 53.969 52.037 -0.128 0.000 0.636 754 A CB -0.687 18.262 19.000 -0.084 0.000 0.815 754 A HN 0.565 nan 8.150 nan 0.000 0.449 755 N N -0.214 118.407 118.700 -0.132 0.000 2.069 755 N HA -0.131 4.609 4.740 -0.000 0.000 0.191 755 N C 1.496 176.919 175.510 -0.145 0.000 1.031 755 N CA 1.694 54.679 53.050 -0.108 0.000 0.852 755 N CB -0.419 38.044 38.487 -0.041 0.000 1.018 755 N HN 0.461 nan 8.380 nan 0.000 0.423 756 I N 0.179 120.612 120.570 -0.229 0.000 2.233 756 I HA -0.146 4.024 4.170 -0.000 0.000 0.243 756 I C 2.227 178.264 176.117 -0.133 0.000 1.093 756 I CA 0.478 61.675 61.300 -0.171 0.000 1.380 756 I CB -0.510 37.369 38.000 -0.200 0.000 1.067 756 I HN -0.131 nan 8.210 nan 0.000 0.413 757 V N 0.341 120.138 119.914 -0.194 0.000 2.252 757 V HA -0.360 3.760 4.120 -0.000 0.000 0.249 757 V C 2.489 178.388 176.094 -0.326 0.000 1.056 757 V CA 2.635 64.743 62.300 -0.320 0.000 1.022 757 V CB -1.266 30.285 31.823 -0.453 0.000 0.641 757 V HN 0.473 nan 8.190 nan 0.000 0.445 758 T N 0.314 114.731 114.554 -0.228 0.000 2.684 758 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 758 T C 2.039 176.738 174.700 -0.002 0.000 1.036 758 T CA 1.711 63.744 62.100 -0.112 0.000 1.148 758 T CB -0.497 68.325 68.868 -0.078 0.000 0.863 758 T HN 0.590 nan 8.240 nan 0.000 0.436 759 A N 0.994 123.806 122.820 -0.013 0.000 1.902 759 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 759 A C 2.303 179.919 177.584 0.054 0.000 1.181 759 A CA 1.185 53.233 52.037 0.018 0.000 0.623 759 A CB -0.729 18.271 19.000 0.001 0.000 0.818 759 A HN 0.530 nan 8.150 nan 0.000 0.443 760 I N -2.087 118.527 120.570 0.074 0.000 2.252 760 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 760 I C 2.357 178.590 176.117 0.193 0.000 1.102 760 I CA 1.128 62.498 61.300 0.117 0.000 1.385 760 I CB -0.443 37.630 38.000 0.121 0.000 1.064 760 I HN 0.313 nan 8.210 nan 0.000 0.414 761 Y N 1.025 121.313 120.300 -0.021 0.000 2.128 761 Y HA -0.223 4.327 4.550 -0.000 0.000 0.284 761 Y C 2.444 178.339 175.900 -0.008 0.000 1.154 761 Y CA 1.292 59.383 58.100 -0.015 0.000 1.149 761 Y CB -0.693 37.759 38.460 -0.014 0.000 0.976 761 Y HN 0.094 nan 8.280 nan 0.000 0.505 762 I N -0.832 119.832 120.570 0.156 0.000 2.252 762 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 762 I C 2.539 178.687 176.117 0.052 0.000 1.102 762 I CA 1.189 62.539 61.300 0.084 0.000 1.385 762 I CB -0.645 37.395 38.000 0.067 0.000 1.064 762 I HN 0.123 nan 8.210 nan 0.000 0.414 763 A N -0.495 122.356 122.820 0.051 0.000 1.972 763 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 763 A C 2.053 179.645 177.584 0.013 0.000 1.169 763 A CA 1.512 53.567 52.037 0.031 0.000 0.635 763 A CB -0.843 18.176 19.000 0.032 0.000 0.810 763 A HN 0.580 nan 8.150 nan 0.000 0.446 764 C N -1.018 118.283 119.300 0.003 0.000 2.884 764 C HA 0.513 4.973 4.460 -0.000 0.000 0.287 764 C C 1.705 176.659 174.990 -0.059 0.000 1.310 764 C CA -0.169 58.830 59.018 -0.032 0.000 1.725 764 C CB -1.055 26.655 27.740 -0.050 0.000 2.060 764 C HN 1.055 nan 8.230 nan 0.000 0.618 765 G N 1.524 110.302 108.800 -0.038 0.000 2.176 765 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.252 765 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.252 765 G C -0.005 174.847 174.900 -0.081 0.000 1.024 765 G CA 0.072 45.147 45.100 -0.041 0.000 0.755 765 G HN 0.523 nan 8.290 nan 0.000 0.507 766 Q N -0.010 119.710 119.800 -0.133 0.000 2.316 766 Q HA 0.333 4.673 4.340 -0.000 0.000 0.215 766 Q C -0.006 175.950 176.000 -0.073 0.000 1.020 766 Q CA -0.579 55.082 55.803 -0.237 0.000 0.970 766 Q CB 0.577 28.888 28.738 -0.712 0.000 1.187 766 Q HN 0.318 nan 8.270 nan 0.000 0.546 767 D N 0.257 120.631 120.400 -0.044 0.000 2.402 767 D HA 0.212 4.852 4.640 -0.000 0.000 0.235 767 D C 0.342 176.753 176.300 0.184 0.000 1.226 767 D CA -0.059 53.977 54.000 0.060 0.000 0.918 767 D CB 0.753 41.582 40.800 0.048 0.000 1.043 767 D HN 0.529 nan 8.370 nan 0.000 0.506 768 A N 3.701 126.621 122.820 0.167 0.000 2.070 768 A HA -0.052 4.268 4.320 -0.000 0.000 0.220 768 A C 2.062 179.712 177.584 0.109 0.000 1.159 768 A CA 1.441 53.589 52.037 0.185 0.000 0.656 768 A CB -0.152 18.917 19.000 0.115 0.000 0.800 768 A HN 0.600 nan 8.150 nan 0.000 0.453 769 A N -0.747 122.126 122.820 0.088 0.000 2.067 769 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 769 A C 1.913 179.532 177.584 0.059 0.000 1.158 769 A CA 1.314 53.385 52.037 0.057 0.000 0.661 769 A CB -0.392 18.637 19.000 0.048 0.000 0.801 769 A HN 0.644 nan 8.150 nan 0.000 0.452 770 Q N -0.371 119.492 119.800 0.106 0.000 2.482 770 Q HA -0.093 4.247 4.340 -0.000 0.000 0.209 770 Q C 1.394 177.429 176.000 0.058 0.000 0.961 770 Q CA 0.734 56.605 55.803 0.113 0.000 0.945 770 Q CB -0.293 28.551 28.738 0.178 0.000 1.012 770 Q HN 1.007 nan 8.270 nan 0.000 0.515 771 N N -1.360 117.322 118.700 -0.029 0.000 2.453 771 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 771 N C 1.377 176.831 175.510 -0.094 0.000 1.041 771 N CA 0.571 53.518 53.050 -0.172 0.000 0.900 771 N CB -0.010 38.342 38.487 -0.224 0.000 0.961 771 N HN -0.080 nan 8.380 nan 0.000 0.443 772 V N 0.448 120.338 119.914 -0.040 0.000 2.252 772 V HA -0.204 3.916 4.120 -0.000 0.000 0.249 772 V C 2.467 178.548 176.094 -0.022 0.000 1.056 772 V CA 2.267 64.550 62.300 -0.029 0.000 1.022 772 V CB -1.117 30.701 31.823 -0.009 0.000 0.641 772 V HN 0.707 nan 8.190 nan 0.000 0.445 773 G N -1.965 106.836 108.800 0.002 0.000 2.545 773 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.212 773 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.212 773 G C 1.717 176.636 174.900 0.031 0.000 1.144 773 G CA 0.729 45.844 45.100 0.025 0.000 0.813 773 G HN 0.476 nan 8.290 nan 0.000 0.531 774 S N 1.198 116.901 115.700 0.006 0.000 2.447 774 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 774 S C 2.533 177.099 174.600 -0.057 0.000 1.006 774 S CA 1.427 59.622 58.200 -0.008 0.000 0.957 774 S CB -0.128 63.054 63.200 -0.030 0.000 0.773 774 S HN 0.575 nan 8.310 nan 0.000 0.507 775 S N 1.176 116.827 115.700 -0.082 0.000 2.603 775 S HA 0.116 4.586 4.470 -0.000 0.000 0.220 775 S C 0.354 174.951 174.600 -0.005 0.000 0.967 775 S CA -0.364 57.789 58.200 -0.079 0.000 0.920 775 S CB -0.362 62.772 63.200 -0.110 0.000 0.773 775 S HN 0.243 nan 8.310 nan 0.000 0.529 776 N N 1.980 120.712 118.700 0.054 0.000 2.294 776 N HA 0.147 4.887 4.740 -0.000 0.000 0.263 776 N C -0.744 174.920 175.510 0.257 0.000 1.281 776 N CA 0.323 53.471 53.050 0.163 0.000 0.846 776 N CB 0.400 39.080 38.487 0.322 0.000 1.061 776 N HN 0.468 nan 8.380 nan 0.000 0.478 777 C N 3.918 123.386 119.300 0.279 0.000 3.113 777 C HA 0.546 5.006 4.460 -0.000 0.000 0.376 777 C C -0.787 174.404 174.990 0.334 0.000 1.077 777 C CA -0.995 58.187 59.018 0.275 0.000 1.253 777 C CB 0.416 28.226 27.740 0.117 0.000 1.637 777 C HN 0.755 nan 8.230 nan 0.000 0.535 778 I N 5.175 125.971 120.570 0.376 0.000 2.389 778 I HA 0.520 4.690 4.170 -0.000 0.000 0.288 778 I C -0.116 176.100 176.117 0.165 0.000 0.999 778 I CA 0.370 61.860 61.300 0.316 0.000 1.129 778 I CB 1.682 39.899 38.000 0.361 0.000 1.288 778 I HN 0.757 nan 8.210 nan 0.000 0.444 779 T N 8.280 122.914 114.554 0.134 0.000 2.749 779 T HA 0.535 4.884 4.350 -0.000 0.000 0.287 779 T C -0.314 174.423 174.700 0.062 0.000 0.970 779 T CA -0.345 61.798 62.100 0.073 0.000 0.980 779 T CB 0.747 69.652 68.868 0.061 0.000 0.924 779 T HN 0.359 nan 8.240 nan 0.000 0.456 780 L N 3.915 125.158 121.223 0.033 0.000 2.362 780 L HA 0.686 5.026 4.340 -0.000 0.000 0.271 780 L C -0.325 176.558 176.870 0.021 0.000 1.002 780 L CA -0.824 54.043 54.840 0.044 0.000 0.818 780 L CB 1.863 43.965 42.059 0.073 0.000 1.298 780 L HN 0.435 nan 8.230 nan 0.000 0.420 781 M N 3.238 122.870 119.600 0.053 0.000 2.386 781 M HA 0.473 4.953 4.480 -0.000 0.000 0.293 781 M C -1.096 175.269 176.300 0.108 0.000 1.120 781 M CA -0.489 54.847 55.300 0.059 0.000 0.909 781 M CB 2.913 35.531 32.600 0.031 0.000 1.661 781 M HN 0.641 nan 8.290 nan 0.000 0.452 782 E N 1.454 121.751 120.200 0.162 0.000 2.430 782 E HA 0.809 5.158 4.350 -0.000 0.000 0.279 782 E C -1.478 175.197 176.600 0.124 0.000 1.003 782 E CA -1.258 55.221 56.400 0.133 0.000 0.801 782 E CB 1.709 31.485 29.700 0.128 0.000 1.313 782 E HN 0.670 nan 8.360 nan 0.000 0.459 783 A N 1.027 123.891 122.820 0.074 0.000 2.425 783 A HA 0.521 4.841 4.320 -0.000 0.000 0.249 783 A C -0.103 177.512 177.584 0.051 0.000 1.084 783 A CA 0.115 52.187 52.037 0.058 0.000 0.781 783 A CB 0.845 19.866 19.000 0.035 0.000 1.019 783 A HN 0.468 nan 8.150 nan 0.000 0.490 784 S N 0.252 115.984 115.700 0.054 0.000 2.651 784 S HA 0.821 5.291 4.470 -0.000 0.000 0.279 784 S C -0.132 174.485 174.600 0.029 0.000 1.148 784 S CA 0.662 58.885 58.200 0.038 0.000 0.837 784 S CB 1.257 64.507 63.200 0.084 0.000 1.138 784 S HN 2.771 nan 8.310 nan 0.000 0.478 785 G N 2.312 111.121 108.800 0.015 0.000 2.746 785 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.685 785 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.685 785 G C -2.102 172.801 174.900 0.006 0.000 1.350 785 G CA -0.203 44.905 45.100 0.014 0.000 0.837 785 G HN 0.570 nan 8.290 nan 0.000 0.564 786 P HA -0.069 nan 4.420 nan 0.000 0.220 786 P C 1.635 178.938 177.300 0.004 0.000 1.148 786 P CA 2.456 65.558 63.100 0.002 0.000 0.803 786 P CB -0.160 31.542 31.700 0.003 0.000 0.782 787 T N -5.624 108.934 114.554 0.007 0.000 3.086 787 T HA 0.154 4.504 4.350 -0.000 0.000 0.250 787 T C 0.877 175.582 174.700 0.009 0.000 1.074 787 T CA 0.071 62.175 62.100 0.007 0.000 0.988 787 T CB -0.993 67.880 68.868 0.008 0.000 0.988 787 T HN -0.042 nan 8.240 nan 0.000 0.530 788 N N 1.244 119.950 118.700 0.010 0.000 2.714 788 N HA -0.178 4.562 4.740 -0.000 0.000 0.250 788 N C 0.304 175.825 175.510 0.018 0.000 1.117 788 N CA 1.233 54.291 53.050 0.013 0.000 0.719 788 N CB -1.352 37.140 38.487 0.008 0.000 1.081 788 N HN 0.774 nan 8.380 nan 0.000 0.557 789 E N -1.286 118.926 120.200 0.020 0.000 2.539 789 E HA 0.089 4.439 4.350 -0.000 0.000 0.215 789 E C -0.572 176.044 176.600 0.027 0.000 0.965 789 E CA -0.273 56.140 56.400 0.021 0.000 1.019 789 E CB 0.370 30.080 29.700 0.016 0.000 1.059 789 E HN 0.400 nan 8.360 nan 0.000 0.496 790 D N 0.936 121.356 120.400 0.034 0.000 2.312 790 D HA 0.161 4.801 4.640 -0.000 0.000 0.248 790 D C -0.485 175.851 176.300 0.060 0.000 1.086 790 D CA -0.341 53.684 54.000 0.043 0.000 0.948 790 D CB 1.735 42.562 40.800 0.046 0.000 1.162 790 D HN -0.053 nan 8.370 nan 0.000 0.446 791 L N 2.455 123.715 121.223 0.062 0.000 2.276 791 L HA 0.219 4.559 4.340 -0.000 0.000 0.286 791 L C -1.228 175.702 176.870 0.100 0.000 1.024 791 L CA -0.717 54.165 54.840 0.070 0.000 0.826 791 L CB 0.512 42.592 42.059 0.036 0.000 1.211 791 L HN 0.228 nan 8.230 nan 0.000 0.422 792 Y N 6.126 126.433 120.300 0.012 0.000 2.336 792 Y HA 0.541 5.091 4.550 -0.000 0.000 0.335 792 Y C -0.651 175.258 175.900 0.016 0.000 1.046 792 Y CA -0.334 57.774 58.100 0.013 0.000 1.198 792 Y CB 0.866 39.332 38.460 0.010 0.000 1.182 792 Y HN 0.644 nan 8.280 nan 0.000 0.502 793 I N 6.188 126.370 120.570 -0.646 0.000 2.608 793 I HA 0.569 4.738 4.170 -0.000 0.000 0.295 793 I C -1.298 174.392 176.117 -0.713 0.000 1.049 793 I CA -0.400 60.594 61.300 -0.511 0.000 1.063 793 I CB 1.552 39.424 38.000 -0.214 0.000 1.248 793 I HN 0.756 nan 8.210 nan 0.000 0.424 794 S N 5.903 121.345 115.700 -0.430 0.000 2.548 794 S HA 0.687 5.157 4.470 -0.000 0.000 0.286 794 S C -1.227 173.320 174.600 -0.089 0.000 1.098 794 S CA -0.652 57.402 58.200 -0.243 0.000 0.930 794 S CB 1.561 64.689 63.200 -0.120 0.000 1.070 794 S HN 0.677 nan 8.310 nan 0.000 0.480 795 C N 2.295 121.565 119.300 -0.050 0.000 2.396 795 C HA 0.818 5.278 4.460 -0.000 0.000 0.321 795 C C -0.115 174.879 174.990 0.008 0.000 1.233 795 C CA -0.374 58.642 59.018 -0.004 0.000 1.440 795 C CB 1.113 28.848 27.740 -0.008 0.000 2.110 795 C HN 0.971 nan 8.230 nan 0.000 0.473 796 T N 4.851 119.425 114.554 0.034 0.000 2.786 796 T HA 0.541 4.891 4.350 -0.000 0.000 0.283 796 T C -0.428 174.295 174.700 0.038 0.000 0.992 796 T CA -0.230 61.876 62.100 0.010 0.000 0.954 796 T CB 0.764 69.618 68.868 -0.024 0.000 0.934 796 T HN 0.564 nan 8.240 nan 0.000 0.440 797 M N 5.251 124.860 119.600 0.014 0.000 1.999 797 M HA 0.275 4.755 4.480 -0.000 0.000 0.299 797 M C -1.959 174.341 176.300 -0.001 0.000 0.900 797 M CA -2.082 53.245 55.300 0.046 0.000 0.904 797 M CB 2.535 35.160 32.600 0.041 0.000 1.477 797 M HN 0.256 nan 8.290 nan 0.000 0.403 798 P HA 0.020 nan 4.420 nan 0.000 0.245 798 P C 0.160 177.445 177.300 -0.025 0.000 1.206 798 P CA 0.632 63.675 63.100 -0.094 0.000 0.781 798 P CB 0.237 31.783 31.700 -0.257 0.000 0.994 799 S N -1.058 114.663 115.700 0.035 0.000 2.569 799 S HA 0.343 4.813 4.470 -0.000 0.000 0.215 799 S C -0.061 174.576 174.600 0.063 0.000 1.096 799 S CA -0.643 57.586 58.200 0.048 0.000 1.183 799 S CB -1.160 62.083 63.200 0.071 0.000 1.324 799 S HN -0.092 nan 8.310 nan 0.000 0.421 800 I N 2.358 122.964 120.570 0.060 0.000 2.421 800 I HA 0.170 4.340 4.170 -0.000 0.000 0.291 800 I C 0.100 176.281 176.117 0.107 0.000 1.089 800 I CA 0.128 61.487 61.300 0.098 0.000 1.354 800 I CB 0.438 38.490 38.000 0.086 0.000 1.413 800 I HN 0.386 nan 8.210 nan 0.000 0.513 801 E N 7.507 127.803 120.200 0.159 0.000 2.046 801 E HA 0.598 4.948 4.350 -0.000 0.000 0.279 801 E C -0.703 175.943 176.600 0.075 0.000 0.989 801 E CA -0.171 56.297 56.400 0.114 0.000 0.798 801 E CB 1.627 31.398 29.700 0.119 0.000 1.086 801 E HN 0.468 nan 8.360 nan 0.000 0.399 802 I N 1.623 122.181 120.570 -0.020 0.000 2.913 802 I HA 0.690 4.860 4.170 -0.000 0.000 0.302 802 I C -0.823 175.221 176.117 -0.121 0.000 1.246 802 I CA -0.500 60.716 61.300 -0.139 0.000 1.010 802 I CB 2.111 40.047 38.000 -0.107 0.000 1.259 802 I HN 0.566 nan 8.210 nan 0.000 0.434 803 G N 1.022 109.725 108.800 -0.162 0.000 2.677 803 G HA2 0.461 4.421 3.960 -0.000 0.000 0.291 803 G HA3 0.461 4.421 3.960 -0.000 0.000 0.291 803 G C -0.365 174.459 174.900 -0.127 0.000 1.435 803 G CA 0.226 45.251 45.100 -0.126 0.000 0.826 803 G HN 0.600 nan 8.290 nan 0.000 0.491 804 T N -2.850 111.641 114.554 -0.106 0.000 3.043 804 T HA 0.424 4.774 4.350 -0.000 0.000 0.272 804 T C 0.507 175.158 174.700 -0.081 0.000 0.990 804 T CA 0.706 62.752 62.100 -0.089 0.000 0.897 804 T CB -0.136 68.689 68.868 -0.071 0.000 1.111 804 T HN 1.461 nan 8.240 nan 0.000 0.529 805 V N -1.842 118.017 119.914 -0.092 0.000 2.962 805 V HA 0.956 5.076 4.120 -0.000 0.000 0.313 805 V C 0.383 176.431 176.094 -0.078 0.000 1.099 805 V CA -0.377 61.874 62.300 -0.083 0.000 0.971 805 V CB 0.755 32.521 31.823 -0.096 0.000 1.028 805 V HN 0.906 nan 8.190 nan 0.000 0.430 806 G N 0.772 109.537 108.800 -0.058 0.000 2.758 806 G HA2 0.432 4.392 3.960 -0.000 0.000 0.686 806 G HA3 0.432 4.392 3.960 -0.000 0.000 0.686 806 G C 0.704 175.579 174.900 -0.042 0.000 1.389 806 G CA 0.104 45.176 45.100 -0.046 0.000 0.845 806 G HN 2.993 nan 8.290 nan 0.000 0.572 807 G N -0.221 108.563 108.800 -0.027 0.000 2.596 807 G HA2 0.148 4.108 3.960 -0.000 0.000 0.295 807 G HA3 0.148 4.108 3.960 -0.000 0.000 0.295 807 G C 1.960 176.850 174.900 -0.016 0.000 1.240 807 G CA 2.012 47.100 45.100 -0.019 0.000 0.985 807 G HN 2.525 nan 8.290 nan 0.000 0.555 808 G N -0.584 108.206 108.800 -0.018 0.000 2.559 808 G HA2 0.186 4.146 3.960 -0.000 0.000 0.216 808 G HA3 0.186 4.146 3.960 -0.000 0.000 0.216 808 G C 1.819 176.704 174.900 -0.024 0.000 1.126 808 G CA 2.231 47.325 45.100 -0.010 0.000 0.778 808 G HN 1.914 nan 8.290 nan 0.000 0.543 809 T N -1.754 112.775 114.554 -0.041 0.000 3.118 809 T HA 0.010 4.360 4.350 -0.000 0.000 0.260 809 T C 1.783 176.458 174.700 -0.041 0.000 1.139 809 T CA 0.686 62.757 62.100 -0.048 0.000 1.085 809 T CB -0.175 68.654 68.868 -0.064 0.000 0.934 809 T HN 0.099 nan 8.240 nan 0.000 0.518 810 N N 0.990 119.669 118.700 -0.035 0.000 2.463 810 N HA 0.216 4.956 4.740 -0.000 0.000 0.181 810 N C 0.241 175.725 175.510 -0.043 0.000 1.078 810 N CA 0.208 53.237 53.050 -0.036 0.000 0.902 810 N CB -0.139 38.331 38.487 -0.028 0.000 0.970 810 N HN 0.512 nan 8.380 nan 0.000 0.451 811 L N 0.709 121.909 121.223 -0.039 0.000 2.350 811 L HA 0.257 4.597 4.340 -0.000 0.000 0.275 811 L C 1.627 178.459 176.870 -0.064 0.000 1.099 811 L CA -0.479 54.329 54.840 -0.054 0.000 0.808 811 L CB 1.284 43.332 42.059 -0.017 0.000 1.149 811 L HN -0.108 nan 8.230 nan 0.000 0.442 812 L N 2.274 123.439 121.223 -0.098 0.000 2.017 812 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 812 L C -0.431 176.399 176.870 -0.068 0.000 1.073 812 L CA 1.294 56.081 54.840 -0.089 0.000 0.745 812 L CB -1.424 40.564 42.059 -0.118 0.000 0.894 812 L HN 0.584 nan 8.230 nan 0.000 0.432 813 P HA -0.176 nan 4.420 nan 0.000 0.215 813 P C 1.434 178.721 177.300 -0.021 0.000 1.153 813 P CA 1.158 64.236 63.100 -0.037 0.000 0.853 813 P CB 0.063 31.752 31.700 -0.020 0.000 0.788 814 Q N -0.539 119.251 119.800 -0.017 0.000 2.124 814 Q HA -0.160 4.179 4.340 -0.000 0.000 0.202 814 Q C 2.313 178.299 176.000 -0.023 0.000 0.977 814 Q CA 1.481 57.275 55.803 -0.016 0.000 0.850 814 Q CB -0.768 27.961 28.738 -0.015 0.000 0.901 814 Q HN 0.392 nan 8.270 nan 0.000 0.429 815 Q N -0.689 119.093 119.800 -0.030 0.000 2.167 815 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 815 Q C 2.000 177.987 176.000 -0.022 0.000 0.970 815 Q CA 1.051 56.836 55.803 -0.030 0.000 0.855 815 Q CB -0.156 28.560 28.738 -0.036 0.000 0.911 815 Q HN 0.443 nan 8.270 nan 0.000 0.438 816 A N 0.131 122.938 122.820 -0.022 0.000 1.902 816 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 816 A C 2.246 179.828 177.584 -0.004 0.000 1.181 816 A CA 1.335 53.363 52.037 -0.015 0.000 0.623 816 A CB -0.839 18.150 19.000 -0.018 0.000 0.818 816 A HN 0.488 nan 8.150 nan 0.000 0.443 817 C N -0.963 118.335 119.300 -0.003 0.000 2.450 817 C HA 0.068 4.528 4.460 -0.000 0.000 0.279 817 C C 2.597 177.590 174.990 0.005 0.000 1.335 817 C CA 0.743 59.764 59.018 0.005 0.000 1.749 817 C CB -1.419 26.324 27.740 0.005 0.000 1.963 817 C HN 0.617 nan 8.230 nan 0.000 0.501 818 L N 0.210 121.429 121.223 -0.006 0.000 2.093 818 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 818 L C 2.759 179.634 176.870 0.008 0.000 1.085 818 L CA 1.399 56.235 54.840 -0.007 0.000 0.755 818 L CB -0.664 41.381 42.059 -0.023 0.000 0.904 818 L HN 0.436 nan 8.230 nan 0.000 0.435 819 Q N -0.622 119.182 119.800 0.006 0.000 2.167 819 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 819 Q C 2.337 178.354 176.000 0.028 0.000 0.970 819 Q CA 1.301 57.112 55.803 0.013 0.000 0.855 819 Q CB -0.101 28.638 28.738 0.002 0.000 0.911 819 Q HN 0.527 nan 8.270 nan 0.000 0.438 820 M N 0.139 119.757 119.600 0.030 0.000 2.106 820 M HA -0.226 4.254 4.480 -0.000 0.000 0.259 820 M C 1.738 178.090 176.300 0.086 0.000 1.068 820 M CA 1.558 56.886 55.300 0.046 0.000 1.100 820 M CB -0.177 32.449 32.600 0.043 0.000 1.351 820 M HN 0.211 nan 8.290 nan 0.000 0.404 821 L N -1.091 120.193 121.223 0.102 0.000 2.558 821 L HA 0.188 4.528 4.340 -0.000 0.000 0.225 821 L C 1.225 178.215 176.870 0.200 0.000 1.128 821 L CA 0.141 55.097 54.840 0.193 0.000 0.868 821 L CB -0.339 41.782 42.059 0.102 0.000 1.006 821 L HN 0.599 nan 8.230 nan 0.000 0.454 822 G N 0.813 109.678 108.800 0.107 0.000 2.198 822 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.257 822 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.257 822 G C 0.588 175.530 174.900 0.069 0.000 1.042 822 G CA 0.416 45.565 45.100 0.083 0.000 0.791 822 G HN 0.347 nan 8.290 nan 0.000 0.502 823 V N -3.469 116.472 119.914 0.044 0.000 3.380 823 V HA 0.454 4.574 4.120 -0.000 0.000 0.307 823 V C 0.848 176.939 176.094 -0.006 0.000 1.434 823 V CA 0.421 62.731 62.300 0.017 0.000 1.075 823 V CB 0.818 32.639 31.823 -0.004 0.000 0.954 823 V HN 0.399 nan 8.190 nan 0.000 0.444 824 Q N 2.219 122.017 119.800 -0.003 0.000 2.300 824 Q HA 0.439 4.779 4.340 -0.000 0.000 0.280 824 Q C 0.720 176.709 176.000 -0.019 0.000 1.033 824 Q CA 1.943 57.736 55.803 -0.016 0.000 0.903 824 Q CB 0.707 29.438 28.738 -0.013 0.000 1.195 824 Q HN 1.108 nan 8.270 nan 0.000 0.386 825 G N 2.569 111.350 108.800 -0.031 0.000 2.725 825 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.220 825 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.220 825 G C -0.916 173.962 174.900 -0.037 0.000 1.357 825 G CA -0.343 44.738 45.100 -0.032 0.000 0.866 825 G HN 0.997 nan 8.290 nan 0.000 0.548 826 A N -1.170 121.631 122.820 -0.032 0.000 2.309 826 A HA 0.587 4.907 4.320 -0.000 0.000 0.298 826 A C 0.661 178.245 177.584 0.001 0.000 1.165 826 A CA 0.597 52.613 52.037 -0.036 0.000 0.821 826 A CB 0.965 19.939 19.000 -0.043 0.000 1.102 826 A HN 2.292 nan 8.150 nan 0.000 0.500 827 C N 3.904 123.207 119.300 0.007 0.000 2.442 827 C HA 0.293 4.753 4.460 -0.000 0.000 0.362 827 C C 1.513 176.536 174.990 0.056 0.000 1.242 827 C CA -0.415 58.620 59.018 0.028 0.000 1.741 827 C CB -1.332 26.423 27.740 0.025 0.000 2.378 827 C HN 1.008 nan 8.230 nan 0.000 0.549 828 K N 2.429 122.861 120.400 0.053 0.000 2.025 828 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 828 K C 1.461 178.097 176.600 0.060 0.000 1.049 828 K CA 1.751 58.077 56.287 0.065 0.000 0.933 828 K CB 0.055 32.583 32.500 0.047 0.000 0.714 828 K HN 0.716 nan 8.250 nan 0.000 0.438 829 D N 0.496 120.924 120.400 0.045 0.000 2.144 829 D HA -0.108 4.532 4.640 -0.000 0.000 0.200 829 D C 0.427 176.755 176.300 0.046 0.000 0.978 829 D CA 1.099 55.123 54.000 0.039 0.000 0.833 829 D CB -0.056 40.762 40.800 0.030 0.000 0.961 829 D HN 0.051 nan 8.370 nan 0.000 0.470 830 N N 0.089 118.820 118.700 0.052 0.000 2.675 830 N HA 0.189 4.929 4.740 -0.000 0.000 0.254 830 N C -2.935 172.617 175.510 0.070 0.000 1.224 830 N CA -1.702 51.382 53.050 0.057 0.000 0.777 830 N CB 1.352 39.865 38.487 0.043 0.000 1.256 830 N HN -0.291 nan 8.380 nan 0.000 0.531 831 P HA 0.171 nan 4.420 nan 0.000 0.260 831 P C 0.813 178.159 177.300 0.077 0.000 1.185 831 P CA 0.938 64.122 63.100 0.141 0.000 0.763 831 P CB 0.499 32.386 31.700 0.312 0.000 0.776 832 G N 3.151 111.959 108.800 0.013 0.000 2.232 832 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.226 832 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.226 832 G C 1.185 176.083 174.900 -0.003 0.000 0.996 832 G CA 0.399 45.495 45.100 -0.008 0.000 0.626 832 G HN 0.507 nan 8.290 nan 0.000 0.509 833 E N 1.392 121.599 120.200 0.011 0.000 2.077 833 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 833 E C 2.240 178.843 176.600 0.005 0.000 0.989 833 E CA 2.068 58.476 56.400 0.015 0.000 0.800 833 E CB -0.302 29.413 29.700 0.026 0.000 0.746 833 E HN 0.513 nan 8.360 nan 0.000 0.452 834 N N 0.057 118.754 118.700 -0.004 0.000 2.142 834 N HA -0.079 4.660 4.740 -0.000 0.000 0.186 834 N C 1.552 177.042 175.510 -0.033 0.000 1.023 834 N CA 1.539 54.582 53.050 -0.012 0.000 0.852 834 N CB -0.625 37.852 38.487 -0.017 0.000 0.998 834 N HN 0.295 nan 8.380 nan 0.000 0.424 835 A N 1.424 124.218 122.820 -0.044 0.000 1.898 835 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 835 A C 2.232 179.789 177.584 -0.044 0.000 1.181 835 A CA 1.022 53.026 52.037 -0.056 0.000 0.620 835 A CB -0.324 18.638 19.000 -0.064 0.000 0.819 835 A HN 0.203 nan 8.150 nan 0.000 0.442 836 R N -1.128 119.355 120.500 -0.029 0.000 2.075 836 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 836 R C 2.470 178.750 176.300 -0.033 0.000 1.126 836 R CA 1.556 57.643 56.100 -0.022 0.000 0.963 836 R CB -0.263 30.033 30.300 -0.006 0.000 0.858 836 R HN 0.625 nan 8.270 nan 0.000 0.435 837 Q N 1.143 120.923 119.800 -0.033 0.000 2.084 837 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 837 Q C 1.906 177.828 176.000 -0.129 0.000 0.978 837 Q CA 1.358 57.127 55.803 -0.057 0.000 0.844 837 Q CB -0.291 28.442 28.738 -0.009 0.000 0.898 837 Q HN 0.207 nan 8.270 nan 0.000 0.426 838 L N 0.100 121.261 121.223 -0.102 0.000 2.083 838 L HA -0.009 4.331 4.340 -0.000 0.000 0.209 838 L C 2.072 178.885 176.870 -0.094 0.000 1.083 838 L CA 2.171 56.941 54.840 -0.116 0.000 0.752 838 L CB -1.139 40.866 42.059 -0.090 0.000 0.899 838 L HN 0.269 nan 8.230 nan 0.000 0.433 839 A N -0.503 122.280 122.820 -0.061 0.000 1.933 839 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 839 A C 2.413 179.968 177.584 -0.049 0.000 1.175 839 A CA 1.711 53.731 52.037 -0.028 0.000 0.628 839 A CB -0.505 18.486 19.000 -0.014 0.000 0.814 839 A HN 0.498 nan 8.150 nan 0.000 0.444 840 R N -0.653 119.799 120.500 -0.079 0.000 2.075 840 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 840 R C 1.992 178.203 176.300 -0.148 0.000 1.126 840 R CA 1.515 57.560 56.100 -0.092 0.000 0.963 840 R CB -0.501 29.749 30.300 -0.083 0.000 0.858 840 R HN 0.575 nan 8.270 nan 0.000 0.435 841 I N 0.289 120.711 120.570 -0.247 0.000 2.179 841 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 841 I C 2.310 178.336 176.117 -0.152 0.000 1.088 841 I CA 1.150 62.260 61.300 -0.317 0.000 1.357 841 I CB -0.299 37.427 38.000 -0.456 0.000 1.051 841 I HN -0.045 nan 8.210 nan 0.000 0.409 842 V N 0.064 119.925 119.914 -0.088 0.000 2.287 842 V HA -0.381 3.739 4.120 -0.000 0.000 0.248 842 V C 2.601 178.671 176.094 -0.040 0.000 1.053 842 V CA 2.143 64.426 62.300 -0.029 0.000 1.027 842 V CB -0.648 31.204 31.823 0.048 0.000 0.646 842 V HN 0.656 nan 8.190 nan 0.000 0.447 843 C N 0.761 120.038 119.300 -0.039 0.000 2.429 843 C HA -0.066 4.394 4.460 -0.000 0.000 0.277 843 C C 2.949 177.915 174.990 -0.039 0.000 1.262 843 C CA 0.928 59.926 59.018 -0.033 0.000 1.733 843 C CB -1.568 26.157 27.740 -0.025 0.000 2.010 843 C HN 0.666 nan 8.230 nan 0.000 0.483 844 G N -0.516 108.255 108.800 -0.049 0.000 2.402 844 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 844 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 844 G C 1.766 176.648 174.900 -0.030 0.000 1.162 844 G CA 1.587 46.666 45.100 -0.036 0.000 0.777 844 G HN 0.543 nan 8.290 nan 0.000 0.539 845 T N 0.878 115.408 114.554 -0.041 0.000 2.821 845 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 845 T C 2.507 177.178 174.700 -0.050 0.000 1.046 845 T CA 0.964 63.044 62.100 -0.034 0.000 1.139 845 T CB -0.201 68.645 68.868 -0.037 0.000 0.871 845 T HN 0.046 nan 8.240 nan 0.000 0.454 846 V N 1.753 121.629 119.914 -0.063 0.000 2.287 846 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 846 V C 2.470 178.533 176.094 -0.051 0.000 1.053 846 V CA 1.959 64.209 62.300 -0.084 0.000 1.027 846 V CB -0.573 31.208 31.823 -0.070 0.000 0.646 846 V HN 0.483 nan 8.190 nan 0.000 0.447 847 M N -0.419 119.161 119.600 -0.032 0.000 2.117 847 M HA -0.180 4.300 4.480 -0.000 0.000 0.262 847 M C 2.144 178.440 176.300 -0.007 0.000 1.065 847 M CA 2.155 57.442 55.300 -0.022 0.000 1.114 847 M CB -0.281 32.298 32.600 -0.034 0.000 1.361 847 M HN 0.374 nan 8.290 nan 0.000 0.408 848 A N 0.041 122.859 122.820 -0.004 0.000 1.877 848 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 848 A C 2.262 179.869 177.584 0.039 0.000 1.186 848 A CA 1.880 53.926 52.037 0.014 0.000 0.620 848 A CB -1.678 17.330 19.000 0.014 0.000 0.822 848 A HN 0.621 nan 8.150 nan 0.000 0.443 849 G N -0.519 108.299 108.800 0.030 0.000 2.418 849 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 849 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 849 G C 1.401 176.468 174.900 0.278 0.000 1.158 849 G CA 1.019 46.188 45.100 0.116 0.000 0.771 849 G HN 0.485 nan 8.290 nan 0.000 0.545 850 E N 0.455 120.736 120.200 0.135 0.000 2.051 850 E HA -0.058 4.291 4.350 -0.000 0.000 0.192 850 E C 2.704 179.350 176.600 0.077 0.000 0.991 850 E CA 0.467 56.944 56.400 0.130 0.000 0.799 850 E CB -0.435 29.303 29.700 0.062 0.000 0.748 850 E HN 0.431 nan 8.360 nan 0.000 0.449 851 L N 0.569 121.820 121.223 0.047 0.000 2.012 851 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 851 L C 2.733 179.618 176.870 0.025 0.000 1.073 851 L CA 1.374 56.229 54.840 0.024 0.000 0.748 851 L CB -0.409 41.657 42.059 0.013 0.000 0.891 851 L HN 0.099 nan 8.230 nan 0.000 0.431 852 S N -0.384 115.341 115.700 0.042 0.000 2.357 852 S HA -0.147 4.323 4.470 -0.000 0.000 0.221 852 S C 1.851 176.446 174.600 -0.008 0.000 1.031 852 S CA 1.069 59.284 58.200 0.025 0.000 0.982 852 S CB -0.171 63.054 63.200 0.042 0.000 0.853 852 S HN 0.266 nan 8.310 nan 0.000 0.458 853 L N 1.678 122.883 121.223 -0.029 0.000 2.056 853 L HA 0.080 4.420 4.340 -0.000 0.000 0.207 853 L C 2.209 179.025 176.870 -0.089 0.000 1.078 853 L CA 1.810 56.562 54.840 -0.147 0.000 0.749 853 L CB -0.667 41.122 42.059 -0.450 0.000 0.901 853 L HN 0.287 nan 8.230 nan 0.000 0.433 854 M N -0.622 118.954 119.600 -0.041 0.000 2.159 854 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 854 M C 2.395 178.684 176.300 -0.019 0.000 1.063 854 M CA 1.665 56.952 55.300 -0.023 0.000 1.110 854 M CB -1.639 30.961 32.600 0.000 0.000 1.374 854 M HN 0.445 nan 8.290 nan 0.000 0.411 855 A N 0.311 123.123 122.820 -0.014 0.000 1.902 855 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 855 A C 2.450 180.024 177.584 -0.018 0.000 1.181 855 A CA 2.109 54.140 52.037 -0.011 0.000 0.623 855 A CB -0.918 18.079 19.000 -0.004 0.000 0.818 855 A HN 0.472 nan 8.150 nan 0.000 0.443 856 A N -0.385 122.418 122.820 -0.029 0.000 1.933 856 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 856 A C 2.165 179.728 177.584 -0.035 0.000 1.175 856 A CA 1.566 53.583 52.037 -0.034 0.000 0.628 856 A CB -0.558 18.413 19.000 -0.048 0.000 0.814 856 A HN 0.479 nan 8.150 nan 0.000 0.444 857 L N -1.115 120.084 121.223 -0.040 0.000 2.109 857 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 857 L C 3.055 179.912 176.870 -0.022 0.000 1.086 857 L CA 0.878 55.696 54.840 -0.035 0.000 0.760 857 L CB -0.476 41.558 42.059 -0.042 0.000 0.910 857 L HN 0.409 nan 8.230 nan 0.000 0.437 858 A N 0.094 122.903 122.820 -0.017 0.000 1.898 858 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 858 A C 2.490 180.068 177.584 -0.009 0.000 1.181 858 A CA 1.629 53.660 52.037 -0.010 0.000 0.620 858 A CB -0.622 18.375 19.000 -0.005 0.000 0.819 858 A HN 0.371 nan 8.150 nan 0.000 0.442 859 A N -1.205 121.608 122.820 -0.010 0.000 1.968 859 A HA 0.411 4.731 4.320 -0.000 0.000 0.217 859 A C 1.773 179.351 177.584 -0.010 0.000 1.169 859 A CA 1.551 53.583 52.037 -0.009 0.000 0.638 859 A CB -1.253 17.742 19.000 -0.008 0.000 0.812 859 A HN 2.143 nan 8.150 nan 0.000 0.446 860 G N 0.000 108.792 108.800 -0.014 0.000 5.446 860 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 860 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 860 G CA 0.000 45.091 45.100 -0.014 0.000 0.502 860 G HN 0.000 nan 8.290 nan 0.000 0.925