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 1hwj_1_D DATA FIRST_RESID 462 DATA SEQUENCE LSDAEIIQLV NAXXXXXXXL ETLIETHERG VSIRRQLLSK KLSEPSSLQY DATA SEQUENCE LPYRDYNYSL VMGACCENVI GYMPIPVGVA GPLCLDEKEF QVPMATTEGC DATA SEQUENCE LVASTNRGCR AIGLGGGASS RVLADGMTRG PVVRLPRACD SAEVKAWLET DATA SEQUENCE SEGFAVIKEA FDSTSRFARL QKLHTSIAGR NLYIRFQSRS GDAMGMNMIS DATA SEQUENCE KGTEKALSKL HEYFPEMQIL AVSGNYCTDK KPAAINWIEG RGKSVVCEAV DATA SEQUENCE IPAKVVREVL KTTTEAMIEV NINKNLVGSA MAGSIGGYNA HAANIVTAIY DATA SEQUENCE IACGQDAAQN VGSSNCITLM EASGPTNEDL YISCTMPSIE IGTVGGGTNL DATA SEQUENCE LPQQACLQML GVQGACKDNP GENARQLARI VCGTVMAGEL SLMAALAAG 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 462 L HA 0.000 nan 4.340 nan 0.000 0.249 462 L C 0.000 176.870 176.870 0.000 0.000 1.165 462 L CA 0.000 54.840 54.840 -0.001 0.000 0.813 462 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 463 S N -0.134 115.566 115.700 -0.000 0.000 2.549 463 S HA 0.192 4.666 4.470 0.006 0.000 0.260 463 S C 0.155 174.754 174.600 -0.001 0.000 1.217 463 S CA -0.309 57.891 58.200 0.001 0.000 1.001 463 S CB 0.601 63.801 63.200 0.000 0.000 1.059 463 S HN 0.732 nan 8.310 nan 0.000 0.537 464 D N 0.526 120.925 120.400 -0.002 0.000 2.338 464 D HA 0.224 4.868 4.640 0.006 0.000 0.224 464 D C 1.805 178.099 176.300 -0.010 0.000 0.967 464 D CA 0.832 54.828 54.000 -0.006 0.000 0.896 464 D CB -0.541 40.257 40.800 -0.004 0.000 1.028 464 D HN 0.413 nan 8.370 nan 0.000 0.493 465 A N 0.922 123.736 122.820 -0.009 0.000 2.121 465 A HA -0.144 4.180 4.320 0.006 0.000 0.218 465 A C 1.881 179.459 177.584 -0.010 0.000 1.154 465 A CA 1.117 53.148 52.037 -0.010 0.000 0.679 465 A CB -0.311 18.684 19.000 -0.008 0.000 0.795 465 A HN 0.165 nan 8.150 nan 0.000 0.458 466 E N -0.250 119.945 120.200 -0.008 0.000 2.051 466 E HA -0.057 4.297 4.350 0.006 0.000 0.189 466 E C 1.812 178.406 176.600 -0.010 0.000 0.979 466 E CA 1.035 57.431 56.400 -0.008 0.000 0.803 466 E CB -0.215 29.482 29.700 -0.006 0.000 0.761 466 E HN 0.707 nan 8.360 nan 0.000 0.451 467 I N 1.182 121.745 120.570 -0.011 0.000 2.315 467 I HA -0.224 3.950 4.170 0.006 0.000 0.248 467 I C 2.398 178.505 176.117 -0.017 0.000 1.117 467 I CA 0.844 62.135 61.300 -0.015 0.000 1.404 467 I CB -0.249 37.741 38.000 -0.016 0.000 1.071 467 I HN 0.077 nan 8.210 nan 0.000 0.419 468 I N 0.543 121.102 120.570 -0.018 0.000 2.179 468 I HA -0.321 3.852 4.170 0.006 0.000 0.242 468 I C 2.654 178.761 176.117 -0.017 0.000 1.088 468 I CA 1.585 62.873 61.300 -0.021 0.000 1.357 468 I CB -0.419 37.568 38.000 -0.022 0.000 1.051 468 I HN 0.300 nan 8.210 nan 0.000 0.409 469 Q N 0.051 119.842 119.800 -0.014 0.000 2.181 469 Q HA -0.206 4.137 4.340 0.006 0.000 0.205 469 Q C 2.282 178.275 176.000 -0.012 0.000 0.980 469 Q CA 1.145 56.941 55.803 -0.012 0.000 0.862 469 Q CB -0.050 28.683 28.738 -0.010 0.000 0.905 469 Q HN 0.463 nan 8.270 nan 0.000 0.429 470 L N 0.274 121.490 121.223 -0.012 0.000 2.109 470 L HA -0.102 4.242 4.340 0.006 0.000 0.207 470 L C 2.073 178.935 176.870 -0.013 0.000 1.086 470 L CA 1.213 56.046 54.840 -0.012 0.000 0.760 470 L CB -0.521 41.531 42.059 -0.012 0.000 0.910 470 L HN 0.091 nan 8.230 nan 0.000 0.437 471 V N 0.565 120.469 119.914 -0.016 0.000 2.307 471 V HA -0.244 3.879 4.120 0.006 0.000 0.245 471 V C 2.344 178.428 176.094 -0.015 0.000 1.045 471 V CA 1.606 63.895 62.300 -0.017 0.000 1.024 471 V CB -0.841 30.970 31.823 -0.021 0.000 0.651 471 V HN 0.428 nan 8.190 nan 0.000 0.449 472 N N 0.755 119.446 118.700 -0.015 0.000 2.018 472 N HA -0.076 4.667 4.740 0.006 0.000 0.196 472 N C 0.878 176.382 175.510 -0.011 0.000 1.043 472 N CA 1.676 54.718 53.050 -0.013 0.000 0.856 472 N CB -0.523 37.956 38.487 -0.013 0.000 1.042 472 N HN 0.568 nan 8.380 nan 0.000 0.423 482 E N 0.422 120.557 120.200 -0.109 0.000 2.396 482 E HA -0.120 4.234 4.350 0.006 0.000 0.200 482 E C 1.558 178.073 176.600 -0.143 0.000 1.023 482 E CA 1.759 58.044 56.400 -0.191 0.000 0.857 482 E CB -0.053 29.509 29.700 -0.231 0.000 0.775 482 E HN 0.468 nan 8.360 nan 0.000 0.525 483 T N -0.217 114.290 114.554 -0.078 0.000 2.894 483 T HA 0.045 4.398 4.350 0.006 0.000 0.258 483 T C 1.787 176.462 174.700 -0.042 0.000 1.043 483 T CA 0.581 62.653 62.100 -0.047 0.000 1.141 483 T CB -0.019 68.832 68.868 -0.027 0.000 0.873 483 T HN 0.071 nan 8.240 nan 0.000 0.449 484 L N 0.373 121.570 121.223 -0.043 0.000 2.013 484 L HA 0.251 4.595 4.340 0.006 0.000 0.204 484 L C 1.345 178.192 176.870 -0.037 0.000 1.081 484 L CA 0.584 55.404 54.840 -0.034 0.000 0.751 484 L CB -0.697 41.344 42.059 -0.029 0.000 0.901 484 L HN 0.165 nan 8.230 nan 0.000 0.440 485 I N 0.362 120.904 120.570 -0.047 0.000 3.161 485 I HA -0.121 4.053 4.170 0.006 0.000 0.284 485 I C 1.396 177.483 176.117 -0.050 0.000 1.252 485 I CA 0.341 61.614 61.300 -0.044 0.000 1.374 485 I CB 0.613 38.585 38.000 -0.048 0.000 1.359 485 I HN 0.270 nan 8.210 nan 0.000 0.606 486 E N 1.513 121.697 120.200 -0.027 0.000 2.057 486 E HA -0.003 4.351 4.350 0.006 0.000 0.190 486 E C 0.164 176.764 176.600 -0.001 0.000 0.969 486 E CA 0.670 57.063 56.400 -0.012 0.000 0.812 486 E CB 0.070 29.773 29.700 0.006 0.000 0.777 486 E HN 0.640 nan 8.360 nan 0.000 0.455 487 T N 0.454 115.017 114.554 0.015 0.000 2.913 487 T HA 0.062 4.416 4.350 0.006 0.000 0.297 487 T C 0.376 175.103 174.700 0.045 0.000 1.029 487 T CA -0.076 62.060 62.100 0.060 0.000 1.104 487 T CB 0.918 69.827 68.868 0.069 0.000 0.964 487 T HN 0.150 nan 8.240 nan 0.000 0.532 488 H N 0.848 119.961 119.070 0.071 0.000 2.343 488 H HA 0.015 4.574 4.556 0.006 0.000 0.303 488 H C 2.262 177.633 175.328 0.071 0.000 1.068 488 H CA 1.532 57.630 56.048 0.084 0.000 1.359 488 H CB 0.278 30.132 29.762 0.154 0.000 1.402 488 H HN 0.771 nan 8.280 nan 0.000 0.515 489 E N 0.842 121.203 120.200 0.268 0.000 2.153 489 E HA -0.229 4.125 4.350 0.006 0.000 0.194 489 E C 2.274 178.996 176.600 0.202 0.000 0.988 489 E CA 0.763 57.315 56.400 0.252 0.000 0.811 489 E CB 0.089 29.932 29.700 0.239 0.000 0.746 489 E HN 0.342 nan 8.360 nan 0.000 0.466 490 R N -0.260 120.315 120.500 0.125 0.000 2.073 490 R HA -0.070 4.274 4.340 0.006 0.000 0.229 490 R C 2.390 178.703 176.300 0.021 0.000 1.120 490 R CA 1.356 57.507 56.100 0.085 0.000 0.967 490 R CB -0.490 29.840 30.300 0.051 0.000 0.862 490 R HN 0.219 nan 8.270 nan 0.000 0.436 491 G N 0.039 108.824 108.800 -0.024 0.000 2.432 491 G HA2 -0.197 3.767 3.960 0.006 0.000 0.219 491 G HA3 -0.197 3.767 3.960 0.006 0.000 0.219 491 G C 1.340 176.180 174.900 -0.100 0.000 1.135 491 G CA 0.849 45.905 45.100 -0.074 0.000 0.767 491 G HN 0.226 nan 8.290 nan 0.000 0.550 492 V N 0.497 120.339 119.914 -0.119 0.000 2.379 492 V HA -0.138 3.986 4.120 0.006 0.000 0.245 492 V C 2.978 178.929 176.094 -0.239 0.000 1.044 492 V CA 2.042 64.226 62.300 -0.193 0.000 1.036 492 V CB -0.189 31.479 31.823 -0.260 0.000 0.664 492 V HN 0.471 nan 8.190 nan 0.000 0.453 493 S N -0.134 115.470 115.700 -0.161 0.000 2.359 493 S HA -0.179 4.295 4.470 0.006 0.000 0.224 493 S C 1.996 176.493 174.600 -0.172 0.000 1.035 493 S CA 1.580 59.634 58.200 -0.244 0.000 1.018 493 S CB -0.252 62.968 63.200 0.034 0.000 0.876 493 S HN 0.372 nan 8.310 nan 0.000 0.448 494 I N 1.657 122.168 120.570 -0.099 0.000 2.127 494 I HA -0.125 4.049 4.170 0.006 0.000 0.241 494 I C 2.632 178.690 176.117 -0.098 0.000 1.075 494 I CA 1.569 62.821 61.300 -0.080 0.000 1.334 494 I CB -1.466 36.500 38.000 -0.056 0.000 1.040 494 I HN 0.374 nan 8.210 nan 0.000 0.405 495 R N 0.796 121.230 120.500 -0.110 0.000 2.105 495 R HA -0.171 4.172 4.340 0.006 0.000 0.239 495 R C 2.439 178.667 176.300 -0.119 0.000 1.135 495 R CA 1.439 57.477 56.100 -0.103 0.000 0.967 495 R CB -0.095 30.143 30.300 -0.103 0.000 0.861 495 R HN 0.287 nan 8.270 nan 0.000 0.442 496 R N -0.320 120.075 120.500 -0.175 0.000 2.115 496 R HA -0.125 4.219 4.340 0.006 0.000 0.230 496 R C 2.381 178.599 176.300 -0.137 0.000 1.111 496 R CA 1.757 57.743 56.100 -0.189 0.000 0.976 496 R CB -0.098 30.009 30.300 -0.321 0.000 0.870 496 R HN 0.423 nan 8.270 nan 0.000 0.445 497 Q N 0.232 119.959 119.800 -0.122 0.000 2.096 497 Q HA -0.024 4.319 4.340 0.006 0.000 0.197 497 Q C 2.178 178.140 176.000 -0.063 0.000 0.964 497 Q CA 0.879 56.632 55.803 -0.083 0.000 0.838 497 Q CB 0.066 28.761 28.738 -0.070 0.000 0.906 497 Q HN 0.312 nan 8.270 nan 0.000 0.444 498 L N 0.330 121.515 121.223 -0.063 0.000 2.046 498 L HA -0.205 4.138 4.340 0.006 0.000 0.208 498 L C 2.337 179.180 176.870 -0.045 0.000 1.077 498 L CA 0.735 55.546 54.840 -0.048 0.000 0.747 498 L CB -0.330 41.701 42.059 -0.048 0.000 0.896 498 L HN 0.282 nan 8.230 nan 0.000 0.432 499 L N -1.068 120.122 121.223 -0.054 0.000 2.109 499 L HA -0.141 4.203 4.340 0.006 0.000 0.207 499 L C 2.671 179.515 176.870 -0.043 0.000 1.086 499 L CA 1.750 56.562 54.840 -0.047 0.000 0.760 499 L CB -0.514 41.513 42.059 -0.054 0.000 0.910 499 L HN 0.143 nan 8.230 nan 0.000 0.437 500 S N -0.327 115.343 115.700 -0.051 0.000 2.392 500 S HA -0.280 4.194 4.470 0.006 0.000 0.232 500 S C 1.981 176.562 174.600 -0.030 0.000 1.041 500 S CA 1.845 60.019 58.200 -0.043 0.000 1.026 500 S CB -0.335 62.835 63.200 -0.050 0.000 0.845 500 S HN 0.634 nan 8.310 nan 0.000 0.465 501 K N 0.176 120.558 120.400 -0.029 0.000 2.365 501 K HA 0.042 4.366 4.320 0.006 0.000 0.199 501 K C 1.791 178.380 176.600 -0.019 0.000 1.045 501 K CA 0.863 57.136 56.287 -0.022 0.000 0.962 501 K CB 0.004 32.490 32.500 -0.022 0.000 0.759 501 K HN 0.397 nan 8.250 nan 0.000 0.469 502 K N 0.413 120.802 120.400 -0.020 0.000 2.367 502 K HA 0.156 4.480 4.320 0.006 0.000 0.194 502 K C 0.241 176.833 176.600 -0.014 0.000 1.027 502 K CA 0.042 56.319 56.287 -0.016 0.000 1.075 502 K CB 0.313 32.803 32.500 -0.017 0.000 0.845 502 K HN 0.014 nan 8.250 nan 0.000 0.529 503 L N 0.907 122.121 121.223 -0.015 0.000 2.379 503 L HA 0.143 4.487 4.340 0.006 0.000 0.269 503 L C 1.428 178.293 176.870 -0.009 0.000 1.084 503 L CA -0.427 54.405 54.840 -0.012 0.000 0.802 503 L CB 1.472 43.522 42.059 -0.014 0.000 1.175 503 L HN 0.016 nan 8.230 nan 0.000 0.448 504 S N -0.260 115.436 115.700 -0.007 0.000 2.593 504 S HA 0.084 4.558 4.470 0.006 0.000 0.217 504 S C 0.474 175.072 174.600 -0.003 0.000 0.966 504 S CA 0.058 58.256 58.200 -0.005 0.000 0.914 504 S CB -0.126 63.072 63.200 -0.004 0.000 0.776 504 S HN 0.735 nan 8.310 nan 0.000 0.523 505 E N 1.558 121.756 120.200 -0.003 0.000 3.284 505 E HA 0.196 4.550 4.350 0.006 0.000 0.277 505 E C -2.296 174.304 176.600 -0.000 0.000 1.218 505 E CA -1.523 54.878 56.400 0.001 0.000 0.925 505 E CB 1.572 31.275 29.700 0.004 0.000 1.409 505 E HN 0.264 nan 8.360 nan 0.000 0.388 506 P HA -0.200 nan 4.420 nan 0.000 0.221 506 P C 1.240 178.535 177.300 -0.008 0.000 1.145 506 P CA 1.181 64.275 63.100 -0.011 0.000 0.795 506 P CB 0.300 31.992 31.700 -0.012 0.000 0.775 507 S N -0.297 115.406 115.700 0.005 0.000 2.489 507 S HA -0.062 4.411 4.470 0.006 0.000 0.228 507 S C 2.092 176.714 174.600 0.037 0.000 0.995 507 S CA 0.823 59.034 58.200 0.018 0.000 0.934 507 S CB -1.285 61.933 63.200 0.030 0.000 0.771 507 S HN 0.301 nan 8.310 nan 0.000 0.522 508 S N 2.444 118.163 115.700 0.031 0.000 2.387 508 S HA -0.076 4.398 4.470 0.006 0.000 0.230 508 S C 1.542 176.171 174.600 0.048 0.000 1.035 508 S CA 1.015 59.242 58.200 0.045 0.000 1.014 508 S CB -0.846 62.367 63.200 0.022 0.000 0.836 508 S HN 0.388 nan 8.310 nan 0.000 0.466 509 L N 1.799 123.027 121.223 0.008 0.000 2.633 509 L HA 0.123 4.467 4.340 0.006 0.000 0.235 509 L C 2.622 179.473 176.870 -0.031 0.000 1.163 509 L CA 1.073 55.901 54.840 -0.019 0.000 0.859 509 L CB -0.988 41.036 42.059 -0.058 0.000 0.973 509 L HN 0.425 nan 8.230 nan 0.000 0.451 510 Q N -1.863 117.923 119.800 -0.024 0.000 2.167 510 Q HA -0.157 4.186 4.340 0.006 0.000 0.202 510 Q C 1.101 176.928 176.000 -0.290 0.000 0.970 510 Q CA 1.384 57.105 55.803 -0.138 0.000 0.855 510 Q CB -0.038 28.610 28.738 -0.151 0.000 0.911 510 Q HN 0.515 nan 8.270 nan 0.000 0.438 511 Y N -0.457 119.835 120.300 -0.013 0.000 2.468 511 Y HA 0.137 4.691 4.550 0.006 0.000 0.268 511 Y C 0.084 175.956 175.900 -0.045 0.000 1.177 511 Y CA -0.412 57.676 58.100 -0.020 0.000 1.265 511 Y CB 0.625 39.075 38.460 -0.017 0.000 1.103 511 Y HN 0.046 nan 8.280 nan 0.000 0.522 512 L N 2.724 123.954 121.223 0.011 0.000 2.255 512 L HA 0.483 4.827 4.340 0.006 0.000 0.289 512 L C -2.634 174.170 176.870 -0.111 0.000 1.046 512 L CA -2.320 52.485 54.840 -0.059 0.000 0.816 512 L CB 0.426 42.452 42.059 -0.055 0.000 1.197 512 L HN -0.180 nan 8.230 nan 0.000 0.427 513 P HA 0.150 nan 4.420 nan 0.000 0.270 513 P C -1.052 176.067 177.300 -0.300 0.000 1.223 513 P CA 0.366 63.237 63.100 -0.382 0.000 0.785 513 P CB 0.348 31.560 31.700 -0.813 0.000 0.923 514 Y N -1.616 118.621 120.300 -0.105 0.000 2.604 514 Y HA 0.322 4.876 4.550 0.006 0.000 0.304 514 Y C 0.200 176.366 175.900 0.443 0.000 0.937 514 Y CA -0.406 57.833 58.100 0.232 0.000 0.999 514 Y CB 0.100 38.634 38.460 0.123 0.000 1.428 514 Y HN 0.009 nan 8.280 nan 0.000 0.586 515 R N 2.240 122.571 120.500 -0.282 0.000 2.560 515 R HA 0.200 4.544 4.340 0.006 0.000 0.270 515 R C -0.562 175.777 176.300 0.064 0.000 1.074 515 R CA 0.165 56.117 56.100 -0.247 0.000 1.140 515 R CB 0.166 30.242 30.300 -0.372 0.000 1.073 515 R HN 0.299 nan 8.270 nan 0.000 0.527 516 D N 0.045 120.467 120.400 0.036 0.000 2.772 516 D HA -0.247 4.397 4.640 0.006 0.000 0.233 516 D C -1.179 175.130 176.300 0.015 0.000 1.143 516 D CA 1.313 55.328 54.000 0.026 0.000 0.700 516 D CB -1.301 39.509 40.800 0.016 0.000 1.076 516 D HN 0.425 nan 8.370 nan 0.000 0.430 517 Y N 1.127 121.345 120.300 -0.137 0.000 2.361 517 Y HA 0.317 4.871 4.550 0.006 0.000 0.337 517 Y C -0.356 175.294 175.900 -0.418 0.000 0.965 517 Y CA -1.408 56.468 58.100 -0.372 0.000 1.091 517 Y CB 0.919 39.032 38.460 -0.579 0.000 1.182 517 Y HN -0.039 nan 8.280 nan 0.000 0.450 518 N N 5.309 123.488 118.700 -0.869 0.000 2.448 518 N HA -0.016 4.728 4.740 0.006 0.000 0.250 518 N C -0.478 174.702 175.510 -0.550 0.000 1.136 518 N CA -0.018 52.705 53.050 -0.545 0.000 0.953 518 N CB -0.057 38.185 38.487 -0.407 0.000 1.251 518 N HN 0.752 nan 8.380 nan 0.000 0.502 519 Y N 0.980 121.230 120.300 -0.083 0.000 2.632 519 Y HA -0.052 4.502 4.550 0.006 0.000 0.301 519 Y C 2.044 177.837 175.900 -0.178 0.000 1.172 519 Y CA 0.123 58.254 58.100 0.052 0.000 1.328 519 Y CB 0.101 38.713 38.460 0.254 0.000 1.016 519 Y HN 0.463 nan 8.280 nan 0.000 0.529 520 S N 0.320 115.845 115.700 -0.292 0.000 2.359 520 S HA -0.189 4.285 4.470 0.006 0.000 0.224 520 S C 1.941 176.459 174.600 -0.137 0.000 1.035 520 S CA 1.311 59.288 58.200 -0.372 0.000 1.018 520 S CB -0.458 62.563 63.200 -0.299 0.000 0.876 520 S HN 0.469 nan 8.310 nan 0.000 0.448 521 L N 0.953 122.107 121.223 -0.116 0.000 2.217 521 L HA -0.003 4.340 4.340 0.006 0.000 0.211 521 L C 2.140 179.016 176.870 0.011 0.000 1.107 521 L CA 0.455 55.259 54.840 -0.059 0.000 0.783 521 L CB -0.511 41.490 42.059 -0.096 0.000 0.919 521 L HN 0.195 nan 8.230 nan 0.000 0.442 522 V N -1.072 118.882 119.914 0.067 0.000 2.331 522 V HA -0.096 4.028 4.120 0.006 0.000 0.242 522 V C 1.297 177.486 176.094 0.157 0.000 1.034 522 V CA 0.385 62.775 62.300 0.151 0.000 1.027 522 V CB -0.236 31.759 31.823 0.287 0.000 0.667 522 V HN 0.331 nan 8.190 nan 0.000 0.457 523 M N 1.657 121.375 119.600 0.198 0.000 2.260 523 M HA 0.351 4.835 4.480 0.006 0.000 0.348 523 M C 1.041 177.419 176.300 0.131 0.000 1.342 523 M CA 0.882 56.300 55.300 0.196 0.000 1.040 523 M CB -0.480 32.310 32.600 0.318 0.000 1.810 523 M HN 0.475 nan 8.290 nan 0.000 0.453 524 G N 3.337 112.197 108.800 0.101 0.000 2.179 524 G HA2 -0.078 3.886 3.960 0.006 0.000 0.257 524 G HA3 -0.078 3.886 3.960 0.006 0.000 0.257 524 G C 0.333 175.268 174.900 0.057 0.000 1.010 524 G CA 0.443 45.586 45.100 0.071 0.000 0.736 524 G HN 1.677 nan 8.290 nan 0.000 0.513 525 A N -3.041 119.816 122.820 0.062 0.000 1.806 525 A HA 0.455 4.779 4.320 0.006 0.000 0.193 525 A C 1.611 179.224 177.584 0.048 0.000 1.883 525 A CA 1.606 53.671 52.037 0.047 0.000 1.434 525 A CB -0.194 18.829 19.000 0.039 0.000 1.505 525 A HN 0.930 nan 8.150 nan 0.000 0.364 526 C N -1.057 118.282 119.300 0.065 0.000 3.449 526 C HA 0.607 5.071 4.460 0.006 0.000 0.404 526 C C 0.538 175.573 174.990 0.074 0.000 1.383 526 C CA 0.004 59.061 59.018 0.065 0.000 1.936 526 C CB -0.448 27.335 27.740 0.072 0.000 2.738 526 C HN 0.701 nan 8.230 nan 0.000 0.663 527 C N 0.912 120.264 119.300 0.088 0.000 3.284 527 C HA 0.622 5.086 4.460 0.006 0.000 0.338 527 C C -1.913 173.126 174.990 0.082 0.000 1.237 527 C CA -0.222 58.847 59.018 0.085 0.000 1.276 527 C CB 1.155 28.958 27.740 0.105 0.000 1.601 527 C HN 0.519 nan 8.230 nan 0.000 0.494 528 E N 1.582 121.818 120.200 0.061 0.000 2.359 528 E HA 0.543 4.897 4.350 0.006 0.000 0.266 528 E C -0.380 176.241 176.600 0.034 0.000 0.920 528 E CA -0.430 55.998 56.400 0.047 0.000 0.788 528 E CB 0.609 30.329 29.700 0.034 0.000 1.279 528 E HN 0.603 nan 8.360 nan 0.000 0.438 529 N N -0.688 118.021 118.700 0.016 0.000 2.714 529 N HA -0.148 4.595 4.740 0.006 0.000 0.252 529 N C -0.991 174.517 175.510 -0.003 0.000 1.014 529 N CA 0.443 53.492 53.050 -0.003 0.000 0.735 529 N CB -1.691 36.794 38.487 -0.004 0.000 0.924 529 N HN 0.197 nan 8.380 nan 0.000 0.540 530 V N 1.170 121.087 119.914 0.004 0.000 2.529 530 V HA 0.028 4.152 4.120 0.006 0.000 0.292 530 V C 1.872 177.939 176.094 -0.044 0.000 1.028 530 V CA 0.367 62.677 62.300 0.015 0.000 1.074 530 V CB 0.468 32.328 31.823 0.062 0.000 0.958 530 V HN 0.435 nan 8.190 nan 0.000 0.481 531 I N 1.717 122.273 120.570 -0.022 0.000 4.050 531 I HA 0.760 4.934 4.170 0.006 0.000 0.327 531 I C 0.655 176.750 176.117 -0.037 0.000 1.473 531 I CA 0.255 61.511 61.300 -0.073 0.000 1.124 531 I CB 0.368 38.324 38.000 -0.073 0.000 1.129 531 I HN 0.741 nan 8.210 nan 0.000 0.428 532 G N 1.699 110.552 108.800 0.088 0.000 2.291 532 G HA2 0.137 4.101 3.960 0.006 0.000 0.249 532 G HA3 0.137 4.101 3.960 0.006 0.000 0.249 532 G C -1.744 173.274 174.900 0.198 0.000 1.340 532 G CA -0.246 44.964 45.100 0.184 0.000 1.017 532 G HN 0.507 nan 8.290 nan 0.000 0.470 533 Y N -2.493 117.811 120.300 0.007 0.000 2.571 533 Y HA 0.856 5.410 4.550 0.006 0.000 0.341 533 Y C -0.635 175.231 175.900 -0.057 0.000 1.076 533 Y CA -1.757 56.275 58.100 -0.115 0.000 1.029 533 Y CB 1.845 40.068 38.460 -0.396 0.000 1.308 533 Y HN 0.848 nan 8.280 nan 0.000 0.461 534 M N 4.147 123.819 119.600 0.121 0.000 2.101 534 M HA 0.620 5.103 4.480 0.006 0.000 0.340 534 M C -3.008 173.385 176.300 0.155 0.000 1.057 534 M CA -2.610 52.733 55.300 0.072 0.000 0.984 534 M CB 0.991 33.619 32.600 0.046 0.000 1.560 534 M HN 0.498 nan 8.290 nan 0.000 0.435 535 P HA 0.365 nan 4.420 nan 0.000 0.287 535 P C -1.272 176.083 177.300 0.092 0.000 1.281 535 P CA -0.268 62.930 63.100 0.164 0.000 0.781 535 P CB 0.440 32.245 31.700 0.174 0.000 0.903 536 I N 5.062 125.679 120.570 0.078 0.000 2.362 536 I HA 0.300 4.474 4.170 0.006 0.000 0.289 536 I C -2.144 174.003 176.117 0.050 0.000 0.994 536 I CA -3.184 58.149 61.300 0.055 0.000 1.158 536 I CB 0.887 38.916 38.000 0.049 0.000 1.315 536 I HN 0.154 nan 8.210 nan 0.000 0.451 537 P HA 0.084 nan 4.420 nan 0.000 0.264 537 P C -0.501 176.819 177.300 0.034 0.000 1.183 537 P CA 0.010 63.133 63.100 0.038 0.000 0.763 537 P CB 0.589 32.307 31.700 0.032 0.000 0.807 538 V N 3.619 123.552 119.914 0.032 0.000 2.357 538 V HA 0.598 4.722 4.120 0.006 0.000 0.284 538 V C 0.831 176.940 176.094 0.026 0.000 1.018 538 V CA -0.234 62.083 62.300 0.028 0.000 0.841 538 V CB 1.318 33.157 31.823 0.027 0.000 0.991 538 V HN 0.760 nan 8.190 nan 0.000 0.437 539 G N 2.695 111.510 108.800 0.025 0.000 2.552 539 G HA2 0.656 4.620 3.960 0.006 0.000 0.324 539 G HA3 0.656 4.620 3.960 0.006 0.000 0.324 539 G C -1.244 173.671 174.900 0.025 0.000 1.217 539 G CA -0.672 44.442 45.100 0.024 0.000 0.989 539 G HN 0.660 nan 8.290 nan 0.000 0.490 540 V N -0.330 119.599 119.914 0.025 0.000 2.638 540 V HA 0.789 4.912 4.120 0.006 0.000 0.306 540 V C -0.385 175.726 176.094 0.029 0.000 1.052 540 V CA -0.444 61.873 62.300 0.028 0.000 0.885 540 V CB 1.354 33.193 31.823 0.028 0.000 0.999 540 V HN 1.317 nan 8.190 nan 0.000 0.424 541 A N 4.607 127.447 122.820 0.033 0.000 2.331 541 A HA 1.056 5.379 4.320 0.006 0.000 0.320 541 A C 0.173 177.782 177.584 0.043 0.000 1.138 541 A CA 0.196 52.253 52.037 0.034 0.000 0.790 541 A CB 1.417 20.435 19.000 0.030 0.000 1.206 541 A HN 2.242 nan 8.150 nan 0.000 0.470 542 G N 1.516 110.340 108.800 0.040 0.000 2.356 542 G HA2 0.456 4.420 3.960 0.006 0.000 0.288 542 G HA3 0.456 4.420 3.960 0.006 0.000 0.288 542 G C -3.373 171.547 174.900 0.035 0.000 1.302 542 G CA -0.322 44.806 45.100 0.048 0.000 0.887 542 G HN 0.735 nan 8.290 nan 0.000 0.521 543 P HA 0.467 nan 4.420 nan 0.000 0.275 543 P C -0.822 176.515 177.300 0.061 0.000 1.228 543 P CA -0.268 62.858 63.100 0.043 0.000 0.786 543 P CB 1.745 33.455 31.700 0.016 0.000 0.927 544 L N 4.009 125.297 121.223 0.108 0.000 2.276 544 L HA 0.311 4.655 4.340 0.006 0.000 0.286 544 L C -0.679 176.282 176.870 0.151 0.000 1.024 544 L CA -0.491 54.426 54.840 0.128 0.000 0.826 544 L CB 0.146 42.301 42.059 0.159 0.000 1.211 544 L HN 0.352 nan 8.230 nan 0.000 0.422 545 C N 6.318 125.673 119.300 0.092 0.000 2.289 545 C HA 0.548 5.012 4.460 0.006 0.000 0.340 545 C C -0.032 175.021 174.990 0.104 0.000 1.152 545 C CA -0.625 58.436 59.018 0.073 0.000 1.650 545 C CB -1.044 26.718 27.740 0.037 0.000 2.203 545 C HN 0.686 nan 8.230 nan 0.000 0.511 546 L N 4.286 125.611 121.223 0.169 0.000 2.406 546 L HA 0.466 4.810 4.340 0.006 0.000 0.272 546 L C -0.134 176.844 176.870 0.179 0.000 0.980 546 L CA 0.514 55.465 54.840 0.185 0.000 0.831 546 L CB 0.923 43.130 42.059 0.247 0.000 1.253 546 L HN 0.687 nan 8.230 nan 0.000 0.406 547 D N 4.172 124.637 120.400 0.109 0.000 2.689 547 D HA -0.247 4.396 4.640 0.006 0.000 0.237 547 D C 0.211 176.548 176.300 0.061 0.000 1.148 547 D CA 1.275 55.326 54.000 0.085 0.000 0.656 547 D CB -0.466 40.395 40.800 0.102 0.000 1.050 547 D HN 0.979 nan 8.370 nan 0.000 0.426 548 E N -2.241 117.982 120.200 0.039 0.000 3.286 548 E HA -0.264 4.089 4.350 0.006 0.000 0.292 548 E C 0.147 176.728 176.600 -0.032 0.000 0.928 548 E CA 1.221 57.625 56.400 0.007 0.000 0.982 548 E CB -0.531 29.172 29.700 0.006 0.000 1.500 548 E HN 0.529 nan 8.360 nan 0.000 0.441 549 K N 0.131 120.499 120.400 -0.054 0.000 2.346 549 K HA 0.555 4.879 4.320 0.006 0.000 0.238 549 K C -0.435 176.003 176.600 -0.271 0.000 1.039 549 K CA -0.784 55.373 56.287 -0.217 0.000 0.861 549 K CB 1.667 33.943 32.500 -0.373 0.000 1.278 549 K HN -0.055 nan 8.250 nan 0.000 0.460 550 E N 1.102 121.041 120.200 -0.436 0.000 2.199 550 E HA 0.356 4.710 4.350 0.006 0.000 0.265 550 E C -1.395 174.923 176.600 -0.470 0.000 0.882 550 E CA -0.494 55.730 56.400 -0.293 0.000 0.759 550 E CB 1.376 30.987 29.700 -0.149 0.000 1.148 550 E HN 0.258 nan 8.360 nan 0.000 0.412 551 F N 1.309 121.260 119.950 0.002 0.000 2.532 551 F HA 0.271 4.802 4.527 0.007 0.000 0.321 551 F C 0.307 176.108 175.800 0.003 0.000 1.089 551 F CA -0.995 57.007 58.000 0.002 0.000 0.926 551 F CB 1.759 40.761 39.000 0.003 0.000 1.168 551 F HN 0.108 nan 8.300 nan 0.000 0.459 552 Q N 3.148 123.060 119.800 0.188 0.000 2.431 552 Q HA 0.331 4.674 4.340 0.006 0.000 0.249 552 Q C -0.804 175.261 176.000 0.108 0.000 1.025 552 Q CA -0.493 55.374 55.803 0.108 0.000 0.835 552 Q CB 1.821 30.597 28.738 0.064 0.000 1.207 552 Q HN 0.393 nan 8.270 nan 0.000 0.490 553 V N 5.652 125.619 119.914 0.089 0.000 2.427 553 V HA 0.204 4.328 4.120 0.006 0.000 0.268 553 V C -1.839 174.278 176.094 0.039 0.000 1.046 553 V CA -1.384 60.949 62.300 0.056 0.000 0.970 553 V CB 0.613 32.458 31.823 0.037 0.000 1.001 553 V HN 0.499 nan 8.190 nan 0.000 0.476 554 P HA 0.350 nan 4.420 nan 0.000 0.281 554 P C -0.900 176.416 177.300 0.027 0.000 1.252 554 P CA -0.280 62.837 63.100 0.028 0.000 0.778 554 P CB 0.929 32.644 31.700 0.025 0.000 0.895 555 M N 2.601 122.216 119.600 0.026 0.000 2.106 555 M HA 0.438 4.922 4.480 0.006 0.000 0.288 555 M C -0.390 175.926 176.300 0.027 0.000 0.941 555 M CA -0.645 54.670 55.300 0.025 0.000 0.934 555 M CB 2.428 35.039 32.600 0.019 0.000 1.551 555 M HN 0.277 nan 8.290 nan 0.000 0.437 556 A N 2.643 125.482 122.820 0.032 0.000 2.279 556 A HA 0.735 5.059 4.320 0.006 0.000 0.306 556 A C -0.128 177.474 177.584 0.030 0.000 1.300 556 A CA -0.166 51.891 52.037 0.033 0.000 0.925 556 A CB 0.497 19.520 19.000 0.039 0.000 1.152 556 A HN 0.751 nan 8.150 nan 0.000 0.544 557 T N 0.139 114.709 114.554 0.027 0.000 2.802 557 T HA 0.550 4.904 4.350 0.006 0.000 0.311 557 T C 0.414 175.127 174.700 0.023 0.000 1.405 557 T CA 0.378 62.492 62.100 0.023 0.000 1.016 557 T CB 1.410 70.290 68.868 0.020 0.000 1.352 557 T HN 1.030 nan 8.240 nan 0.000 0.498 558 T N -0.892 113.674 114.554 0.020 0.000 3.170 558 T HA 0.390 4.744 4.350 0.006 0.000 0.288 558 T C 0.144 174.853 174.700 0.015 0.000 0.992 558 T CA -0.312 61.798 62.100 0.018 0.000 0.909 558 T CB -0.037 68.841 68.868 0.016 0.000 1.133 558 T HN 0.560 nan 8.240 nan 0.000 0.530 559 E N 1.497 121.708 120.200 0.017 0.000 2.081 559 E HA 0.520 4.873 4.350 0.006 0.000 0.281 559 E C 0.555 177.166 176.600 0.019 0.000 0.986 559 E CA -0.789 55.622 56.400 0.018 0.000 0.796 559 E CB 0.503 30.216 29.700 0.023 0.000 1.085 559 E HN 0.495 nan 8.360 nan 0.000 0.398 560 G N 2.585 111.393 108.800 0.014 0.000 2.353 560 G HA2 0.052 4.016 3.960 0.006 0.000 0.239 560 G HA3 0.052 4.016 3.960 0.006 0.000 0.239 560 G C 0.556 175.466 174.900 0.016 0.000 1.295 560 G CA 0.025 45.133 45.100 0.013 0.000 0.884 560 G HN 0.945 nan 8.290 nan 0.000 0.537 561 C N 1.024 120.334 119.300 0.017 0.000 4.933 561 C HA -0.189 4.275 4.460 0.006 0.000 0.249 561 C C 2.261 177.270 174.990 0.032 0.000 1.406 561 C CA 0.507 59.536 59.018 0.019 0.000 1.505 561 C CB -2.146 25.600 27.740 0.010 0.000 1.870 561 C HN 0.851 nan 8.230 nan 0.000 0.651 562 L N 1.570 122.817 121.223 0.040 0.000 2.005 562 L HA -0.009 4.334 4.340 0.006 0.000 0.207 562 L C 2.306 179.207 176.870 0.053 0.000 1.072 562 L CA 2.643 57.521 54.840 0.062 0.000 0.744 562 L CB -0.690 41.403 42.059 0.057 0.000 0.895 562 L HN 0.302 nan 8.230 nan 0.000 0.433 563 V N 0.354 120.290 119.914 0.036 0.000 2.343 563 V HA -0.287 3.837 4.120 0.006 0.000 0.247 563 V C 2.830 178.943 176.094 0.031 0.000 1.051 563 V CA 1.661 63.980 62.300 0.030 0.000 1.036 563 V CB -1.502 30.336 31.823 0.025 0.000 0.654 563 V HN 0.623 nan 8.190 nan 0.000 0.451 564 A N 0.939 123.776 122.820 0.028 0.000 1.877 564 A HA -0.229 4.095 4.320 0.006 0.000 0.216 564 A C 2.563 180.164 177.584 0.028 0.000 1.186 564 A CA 2.523 54.574 52.037 0.024 0.000 0.620 564 A CB -0.900 18.111 19.000 0.019 0.000 0.822 564 A HN 0.688 nan 8.150 nan 0.000 0.443 565 S N -0.896 114.825 115.700 0.034 0.000 2.382 565 S HA -0.149 4.325 4.470 0.006 0.000 0.228 565 S C 1.819 176.450 174.600 0.051 0.000 1.027 565 S CA 1.904 60.127 58.200 0.039 0.000 0.991 565 S CB -1.212 62.012 63.200 0.040 0.000 0.823 565 S HN 0.500 nan 8.310 nan 0.000 0.469 566 T N 2.436 117.025 114.554 0.059 0.000 2.821 566 T HA -0.029 4.325 4.350 0.006 0.000 0.267 566 T C 1.816 176.538 174.700 0.037 0.000 1.046 566 T CA 1.479 63.610 62.100 0.051 0.000 1.139 566 T CB -0.681 68.209 68.868 0.037 0.000 0.871 566 T HN 0.520 nan 8.240 nan 0.000 0.454 567 N N 1.138 119.857 118.700 0.033 0.000 2.120 567 N HA -0.084 4.660 4.740 0.006 0.000 0.188 567 N C 1.914 177.440 175.510 0.026 0.000 1.024 567 N CA 1.176 54.243 53.050 0.028 0.000 0.852 567 N CB -0.185 38.318 38.487 0.025 0.000 1.003 567 N HN 0.308 nan 8.380 nan 0.000 0.424 568 R N -0.472 120.042 120.500 0.025 0.000 2.091 568 R HA -0.074 4.270 4.340 0.006 0.000 0.238 568 R C 2.105 178.418 176.300 0.022 0.000 1.136 568 R CA 1.697 57.810 56.100 0.021 0.000 0.959 568 R CB -0.740 29.570 30.300 0.018 0.000 0.856 568 R HN 0.324 nan 8.270 nan 0.000 0.437 569 G N 0.094 108.911 108.800 0.027 0.000 2.418 569 G HA2 -0.278 3.686 3.960 0.006 0.000 0.217 569 G HA3 -0.278 3.686 3.960 0.006 0.000 0.217 569 G C 1.540 176.454 174.900 0.023 0.000 1.158 569 G CA 0.941 46.057 45.100 0.026 0.000 0.771 569 G HN 0.441 nan 8.290 nan 0.000 0.545 570 C N -0.301 119.015 119.300 0.026 0.000 2.425 570 C HA 0.039 4.502 4.460 0.006 0.000 0.277 570 C C 2.829 177.834 174.990 0.025 0.000 1.280 570 C CA 0.959 59.995 59.018 0.029 0.000 1.744 570 C CB -0.814 26.947 27.740 0.035 0.000 1.989 570 C HN 0.575 nan 8.230 nan 0.000 0.491 571 R N 1.097 121.610 120.500 0.022 0.000 2.075 571 R HA -0.095 4.248 4.340 0.006 0.000 0.232 571 R C 2.241 178.551 176.300 0.016 0.000 1.126 571 R CA 1.673 57.784 56.100 0.018 0.000 0.963 571 R CB -0.401 29.908 30.300 0.016 0.000 0.858 571 R HN 0.456 nan 8.270 nan 0.000 0.435 572 A N 0.928 123.757 122.820 0.015 0.000 1.933 572 A HA -0.142 4.182 4.320 0.006 0.000 0.218 572 A C 2.134 179.726 177.584 0.012 0.000 1.175 572 A CA 1.454 53.498 52.037 0.012 0.000 0.628 572 A CB -0.481 18.525 19.000 0.011 0.000 0.814 572 A HN 0.382 nan 8.150 nan 0.000 0.444 573 I N -0.510 120.068 120.570 0.013 0.000 2.202 573 I HA -0.165 4.009 4.170 0.006 0.000 0.242 573 I C 2.729 178.857 176.117 0.018 0.000 1.091 573 I CA 1.056 62.364 61.300 0.013 0.000 1.368 573 I CB -0.647 37.362 38.000 0.015 0.000 1.058 573 I HN 0.390 nan 8.210 nan 0.000 0.410 574 G N 1.075 109.887 108.800 0.020 0.000 2.440 574 G HA2 -0.210 3.754 3.960 0.006 0.000 0.218 574 G HA3 -0.210 3.754 3.960 0.006 0.000 0.218 574 G C 1.689 176.597 174.900 0.015 0.000 1.154 574 G CA 0.546 45.657 45.100 0.018 0.000 0.767 574 G HN 0.285 nan 8.290 nan 0.000 0.552 575 L N 0.726 121.957 121.223 0.014 0.000 2.376 575 L HA 0.082 4.426 4.340 0.006 0.000 0.219 575 L C 2.726 179.604 176.870 0.014 0.000 1.133 575 L CA 0.576 55.424 54.840 0.012 0.000 0.816 575 L CB -0.111 41.955 42.059 0.011 0.000 0.933 575 L HN 0.334 nan 8.230 nan 0.000 0.449 576 G N -1.409 107.400 108.800 0.016 0.000 3.141 576 G HA2 0.285 4.249 3.960 0.006 0.000 0.218 576 G HA3 0.285 4.249 3.960 0.006 0.000 0.218 576 G C 1.173 176.085 174.900 0.021 0.000 1.170 576 G CA 0.452 45.563 45.100 0.018 0.000 0.769 576 G HN 0.450 nan 8.290 nan 0.000 0.546 577 G N -1.444 107.367 108.800 0.019 0.000 2.141 577 G HA2 0.311 4.274 3.960 0.006 0.000 0.231 577 G HA3 0.311 4.274 3.960 0.006 0.000 0.231 577 G C 0.889 175.803 174.900 0.023 0.000 0.984 577 G CA 0.442 45.554 45.100 0.020 0.000 0.660 577 G HN 2.082 nan 8.290 nan 0.000 0.525 578 G N -1.277 107.537 108.800 0.024 0.000 2.756 578 G HA2 0.474 4.438 3.960 0.006 0.000 0.678 578 G HA3 0.474 4.438 3.960 0.006 0.000 0.678 578 G C 0.086 175.005 174.900 0.031 0.000 1.349 578 G CA 0.768 45.886 45.100 0.029 0.000 0.847 578 G HN 2.250 nan 8.290 nan 0.000 0.548 579 A N -0.181 122.661 122.820 0.037 0.000 2.337 579 A HA 0.954 5.278 4.320 0.006 0.000 0.331 579 A C 0.315 177.923 177.584 0.041 0.000 1.137 579 A CA 0.477 52.532 52.037 0.030 0.000 0.807 579 A CB 1.693 20.706 19.000 0.022 0.000 1.250 579 A HN 1.884 nan 8.150 nan 0.000 0.468 580 S N 0.296 116.018 115.700 0.036 0.000 2.513 580 S HA 0.786 5.260 4.470 0.006 0.000 0.299 580 S C -0.210 174.409 174.600 0.031 0.000 1.087 580 S CA -0.325 57.900 58.200 0.041 0.000 1.012 580 S CB 1.542 64.769 63.200 0.045 0.000 1.044 580 S HN 1.357 nan 8.310 nan 0.000 0.485 581 S N 2.388 118.106 115.700 0.031 0.000 2.595 581 S HA 0.830 5.303 4.470 0.006 0.000 0.281 581 S C -1.501 173.109 174.600 0.017 0.000 1.117 581 S CA -1.079 57.132 58.200 0.018 0.000 0.873 581 S CB 1.582 64.787 63.200 0.008 0.000 1.108 581 S HN 0.512 nan 8.310 nan 0.000 0.477 582 R N 0.748 121.252 120.500 0.008 0.000 2.651 582 R HA 0.518 4.861 4.340 0.006 0.000 0.278 582 R C -1.666 174.632 176.300 -0.004 0.000 1.010 582 R CA -0.692 55.411 56.100 0.005 0.000 0.896 582 R CB 1.881 32.184 30.300 0.005 0.000 1.211 582 R HN 0.623 nan 8.270 nan 0.000 0.456 583 V N 5.041 124.953 119.914 -0.004 0.000 2.385 583 V HA 0.205 4.328 4.120 0.006 0.000 0.269 583 V C 1.544 177.631 176.094 -0.013 0.000 1.043 583 V CA -0.132 62.163 62.300 -0.009 0.000 0.906 583 V CB 1.131 32.950 31.823 -0.006 0.000 0.995 583 V HN 0.621 nan 8.190 nan 0.000 0.467 584 L N 3.988 125.198 121.223 -0.022 0.000 2.307 584 L HA 0.493 4.837 4.340 0.006 0.000 0.211 584 L C 0.914 177.765 176.870 -0.031 0.000 1.099 584 L CA 0.833 55.655 54.840 -0.030 0.000 0.816 584 L CB -0.058 41.974 42.059 -0.046 0.000 0.952 584 L HN 0.731 nan 8.230 nan 0.000 0.455 585 A N -0.777 122.027 122.820 -0.027 0.000 2.605 585 A HA 0.587 4.910 4.320 0.006 0.000 0.294 585 A C -1.934 175.643 177.584 -0.012 0.000 1.062 585 A CA -0.444 51.578 52.037 -0.024 0.000 0.682 585 A CB 1.716 20.693 19.000 -0.038 0.000 1.278 585 A HN -0.043 nan 8.150 nan 0.000 0.410 586 D N 0.033 120.431 120.400 -0.002 0.000 2.616 586 D HA 0.574 5.218 4.640 0.006 0.000 0.238 586 D C -0.506 175.806 176.300 0.020 0.000 1.354 586 D CA 0.820 54.825 54.000 0.009 0.000 0.970 586 D CB 1.509 42.317 40.800 0.013 0.000 1.369 586 D HN 1.454 nan 8.370 nan 0.000 0.585 587 G N 2.537 111.352 108.800 0.025 0.000 1.984 587 G HA2 0.365 4.328 3.960 0.006 0.000 0.313 587 G HA3 0.365 4.328 3.960 0.006 0.000 0.313 587 G C -0.882 174.048 174.900 0.050 0.000 1.632 587 G CA -0.876 44.248 45.100 0.041 0.000 0.963 587 G HN 0.350 nan 8.290 nan 0.000 0.595 588 M N 2.395 122.038 119.600 0.071 0.000 2.228 588 M HA 0.747 5.231 4.480 0.006 0.000 0.326 588 M C 0.783 177.148 176.300 0.109 0.000 1.122 588 M CA -0.258 55.091 55.300 0.082 0.000 1.161 588 M CB 0.881 33.533 32.600 0.087 0.000 1.437 588 M HN 0.865 nan 8.290 nan 0.000 0.465 589 T N 1.388 116.009 114.554 0.112 0.000 2.901 589 T HA 0.879 5.233 4.350 0.006 0.000 0.293 589 T C -1.078 173.727 174.700 0.176 0.000 1.084 589 T CA -1.014 61.174 62.100 0.147 0.000 1.008 589 T CB 1.700 70.628 68.868 0.099 0.000 1.170 589 T HN 0.759 nan 8.240 nan 0.000 0.509 590 R N -0.171 120.477 120.500 0.248 0.000 2.522 590 R HA 0.656 5.000 4.340 0.006 0.000 0.283 590 R C -0.551 175.958 176.300 0.348 0.000 1.074 590 R CA -0.428 55.822 56.100 0.251 0.000 0.925 590 R CB 1.605 32.038 30.300 0.222 0.000 1.205 590 R HN 1.151 nan 8.270 nan 0.000 0.436 591 G N 5.443 114.433 108.800 0.317 0.000 4.106 591 G HA2 0.338 4.302 3.960 0.006 0.000 0.344 591 G HA3 0.338 4.302 3.960 0.006 0.000 0.344 591 G C -2.491 172.645 174.900 0.393 0.000 1.477 591 G CA -1.219 44.132 45.100 0.419 0.000 1.068 591 G HN 0.470 nan 8.290 nan 0.000 0.488 592 P HA 0.155 nan 4.420 nan 0.000 0.270 592 P C -0.204 177.192 177.300 0.160 0.000 1.223 592 P CA -0.139 63.102 63.100 0.235 0.000 0.785 592 P CB 2.337 34.167 31.700 0.217 0.000 0.923 593 V N 3.572 123.508 119.914 0.037 0.000 2.384 593 V HA 0.412 4.536 4.120 0.006 0.000 0.287 593 V C -0.114 175.876 176.094 -0.173 0.000 1.020 593 V CA -0.682 61.473 62.300 -0.240 0.000 0.850 593 V CB 1.276 32.900 31.823 -0.333 0.000 0.987 593 V HN 0.453 nan 8.190 nan 0.000 0.436 594 V N 5.130 124.917 119.914 -0.211 0.000 3.019 594 V HA 0.789 4.913 4.120 0.006 0.000 0.317 594 V C -0.453 175.546 176.094 -0.158 0.000 1.094 594 V CA -0.992 61.239 62.300 -0.114 0.000 1.000 594 V CB 2.101 33.900 31.823 -0.040 0.000 1.060 594 V HN 0.911 nan 8.190 nan 0.000 0.443 595 R N 2.093 122.538 120.500 -0.091 0.000 2.686 595 R HA 0.697 5.040 4.340 0.006 0.000 0.283 595 R C -1.674 174.592 176.300 -0.056 0.000 0.978 595 R CA -0.830 55.219 56.100 -0.085 0.000 0.897 595 R CB 2.128 32.393 30.300 -0.059 0.000 1.192 595 R HN 0.561 nan 8.270 nan 0.000 0.457 596 L N 2.343 123.526 121.223 -0.065 0.000 2.303 596 L HA 0.445 4.789 4.340 0.006 0.000 0.266 596 L C -1.630 175.220 176.870 -0.034 0.000 1.011 596 L CA -2.431 52.377 54.840 -0.054 0.000 0.818 596 L CB 1.659 43.666 42.059 -0.086 0.000 1.326 596 L HN 0.315 nan 8.230 nan 0.000 0.435 597 P HA -0.033 nan 4.420 nan 0.000 0.217 597 P C -0.087 177.204 177.300 -0.014 0.000 1.150 597 P CA 1.276 64.369 63.100 -0.012 0.000 0.832 597 P CB 0.349 32.046 31.700 -0.005 0.000 0.787 598 R N -2.424 118.064 120.500 -0.019 0.000 2.837 598 R HA 0.554 4.897 4.340 0.006 0.000 0.271 598 R C 0.867 177.151 176.300 -0.027 0.000 0.993 598 R CA -0.608 55.482 56.100 -0.017 0.000 0.931 598 R CB 0.477 30.771 30.300 -0.010 0.000 1.206 598 R HN -0.157 nan 8.270 nan 0.000 0.474 599 A N 0.389 123.196 122.820 -0.022 0.000 1.972 599 A HA -0.135 4.188 4.320 0.006 0.000 0.219 599 A C 1.810 179.377 177.584 -0.028 0.000 1.169 599 A CA 1.634 53.656 52.037 -0.026 0.000 0.635 599 A CB -0.653 18.339 19.000 -0.015 0.000 0.810 599 A HN 0.724 nan 8.150 nan 0.000 0.446 600 C N -0.186 119.102 119.300 -0.019 0.000 2.422 600 C HA -0.079 4.385 4.460 0.006 0.000 0.279 600 C C 2.260 177.236 174.990 -0.023 0.000 1.305 600 C CA 0.940 59.950 59.018 -0.014 0.000 1.757 600 C CB -1.027 26.712 27.740 -0.002 0.000 1.962 600 C HN 0.605 nan 8.230 nan 0.000 0.499 601 D N 1.160 121.540 120.400 -0.034 0.000 2.103 601 D HA -0.083 4.561 4.640 0.006 0.000 0.199 601 D C 2.315 178.536 176.300 -0.131 0.000 0.978 601 D CA 1.836 55.803 54.000 -0.056 0.000 0.829 601 D CB -0.673 40.102 40.800 -0.042 0.000 0.981 601 D HN 0.602 nan 8.370 nan 0.000 0.464 602 S N 1.353 116.983 115.700 -0.117 0.000 2.383 602 S HA -0.112 4.361 4.470 0.006 0.000 0.229 602 S C 2.221 176.743 174.600 -0.130 0.000 1.030 602 S CA 1.243 59.355 58.200 -0.146 0.000 1.002 602 S CB -0.380 62.755 63.200 -0.110 0.000 0.829 602 S HN 0.250 nan 8.310 nan 0.000 0.467 603 A N 1.748 124.519 122.820 -0.082 0.000 1.933 603 A HA -0.104 4.219 4.320 0.006 0.000 0.218 603 A C 2.211 179.765 177.584 -0.050 0.000 1.175 603 A CA 1.581 53.585 52.037 -0.054 0.000 0.628 603 A CB -0.822 18.162 19.000 -0.028 0.000 0.814 603 A HN 0.699 nan 8.150 nan 0.000 0.444 604 E N -0.166 119.997 120.200 -0.061 0.000 2.077 604 E HA -0.133 4.221 4.350 0.006 0.000 0.193 604 E C 1.880 178.421 176.600 -0.098 0.000 0.989 604 E CA 1.454 57.842 56.400 -0.020 0.000 0.800 604 E CB -0.115 29.601 29.700 0.027 0.000 0.746 604 E HN 0.328 nan 8.360 nan 0.000 0.452 605 V N 1.640 121.328 119.914 -0.378 0.000 2.343 605 V HA -0.264 3.860 4.120 0.006 0.000 0.247 605 V C 2.536 178.559 176.094 -0.117 0.000 1.051 605 V CA 2.126 64.082 62.300 -0.572 0.000 1.036 605 V CB -0.565 30.820 31.823 -0.731 0.000 0.654 605 V HN 0.283 nan 8.190 nan 0.000 0.451 606 K N 0.349 120.695 120.400 -0.090 0.000 2.026 606 K HA -0.197 4.127 4.320 0.006 0.000 0.208 606 K C 2.215 178.831 176.600 0.026 0.000 1.048 606 K CA 1.665 57.933 56.287 -0.032 0.000 0.929 606 K CB -0.351 32.116 32.500 -0.055 0.000 0.713 606 K HN 0.418 nan 8.250 nan 0.000 0.439 607 A N 0.363 123.210 122.820 0.045 0.000 1.933 607 A HA -0.201 4.123 4.320 0.006 0.000 0.218 607 A C 1.911 179.578 177.584 0.139 0.000 1.175 607 A CA 1.480 53.560 52.037 0.072 0.000 0.628 607 A CB -1.009 18.037 19.000 0.077 0.000 0.814 607 A HN 0.735 nan 8.150 nan 0.000 0.444 608 W N 0.357 121.663 121.300 0.011 0.000 2.381 608 W HA -0.055 4.608 4.660 0.004 0.000 0.301 608 W C 1.653 178.187 176.519 0.026 0.000 1.205 608 W CA 1.544 58.923 57.345 0.057 0.000 1.285 608 W CB -0.181 29.394 29.460 0.192 0.000 1.133 608 W HN 0.234 nan 8.180 nan 0.000 0.521 609 L N 0.464 121.852 121.223 0.276 0.000 2.265 609 L HA -0.167 4.177 4.340 0.006 0.000 0.215 609 L C 1.873 178.729 176.870 -0.022 0.000 1.117 609 L CA 1.407 56.319 54.840 0.120 0.000 0.782 609 L CB -0.539 41.607 42.059 0.145 0.000 0.914 609 L HN 0.041 nan 8.230 nan 0.000 0.441 610 E N -0.904 119.271 120.200 -0.041 0.000 2.478 610 E HA -0.020 4.334 4.350 0.006 0.000 0.194 610 E C 0.812 177.346 176.600 -0.112 0.000 1.045 610 E CA 0.229 56.582 56.400 -0.077 0.000 0.868 610 E CB 0.166 29.829 29.700 -0.061 0.000 0.885 610 E HN 0.472 nan 8.360 nan 0.000 0.505 611 T N -1.179 113.278 114.554 -0.162 0.000 2.868 611 T HA 0.069 4.423 4.350 0.006 0.000 0.292 611 T C 1.525 176.124 174.700 -0.169 0.000 1.028 611 T CA -0.126 61.867 62.100 -0.177 0.000 1.059 611 T CB 1.653 70.369 68.868 -0.252 0.000 0.991 611 T HN 0.005 nan 8.240 nan 0.000 0.531 612 S N 0.754 116.382 115.700 -0.120 0.000 2.383 612 S HA -0.166 4.308 4.470 0.006 0.000 0.227 612 S C 1.793 176.344 174.600 -0.082 0.000 1.026 612 S CA 0.822 58.984 58.200 -0.065 0.000 0.981 612 S CB -0.578 62.595 63.200 -0.046 0.000 0.818 612 S HN 0.882 nan 8.310 nan 0.000 0.472 613 E N 2.122 122.222 120.200 -0.167 0.000 2.072 613 E HA -0.046 4.308 4.350 0.006 0.000 0.191 613 E C 2.253 178.613 176.600 -0.400 0.000 0.985 613 E CA 1.307 57.585 56.400 -0.203 0.000 0.801 613 E CB -1.351 28.254 29.700 -0.158 0.000 0.750 613 E HN 0.572 nan 8.360 nan 0.000 0.452 614 G N 0.870 109.205 108.800 -0.775 0.000 2.418 614 G HA2 -0.284 3.679 3.960 0.006 0.000 0.217 614 G HA3 -0.284 3.679 3.960 0.006 0.000 0.217 614 G C 1.402 175.915 174.900 -0.645 0.000 1.158 614 G CA 0.821 45.047 45.100 -1.458 0.000 0.771 614 G HN 0.308 nan 8.290 nan 0.000 0.545 615 F N 2.464 122.156 119.950 -0.430 0.000 2.134 615 F HA 0.098 4.629 4.527 0.006 0.000 0.299 615 F C 2.770 178.494 175.800 -0.126 0.000 1.097 615 F CA 1.175 59.047 58.000 -0.214 0.000 1.264 615 F CB -0.331 38.570 39.000 -0.165 0.000 1.001 615 F HN 0.230 nan 8.300 nan 0.000 0.479 616 A N 0.352 123.085 122.820 -0.146 0.000 1.883 616 A HA -0.205 4.118 4.320 0.006 0.000 0.217 616 A C 2.395 179.885 177.584 -0.157 0.000 1.186 616 A CA 2.706 54.656 52.037 -0.145 0.000 0.624 616 A CB -1.733 17.243 19.000 -0.040 0.000 0.822 616 A HN 0.543 nan 8.150 nan 0.000 0.444 617 V N -1.394 118.450 119.914 -0.117 0.000 2.358 617 V HA -0.174 3.949 4.120 0.006 0.000 0.246 617 V C 2.124 178.242 176.094 0.041 0.000 1.047 617 V CA 1.897 64.207 62.300 0.016 0.000 1.035 617 V CB -0.780 31.130 31.823 0.144 0.000 0.658 617 V HN 0.411 nan 8.190 nan 0.000 0.452 618 I N 0.876 121.444 120.570 -0.004 0.000 2.226 618 I HA -0.210 3.964 4.170 0.006 0.000 0.245 618 I C 2.626 178.744 176.117 0.002 0.000 1.100 618 I CA 2.460 63.811 61.300 0.085 0.000 1.374 618 I CB -1.321 36.752 38.000 0.122 0.000 1.057 618 I HN 0.509 nan 8.210 nan 0.000 0.413 619 K N 1.163 121.385 120.400 -0.297 0.000 2.026 619 K HA -0.247 4.076 4.320 0.006 0.000 0.208 619 K C 2.135 178.714 176.600 -0.035 0.000 1.048 619 K CA 1.832 57.940 56.287 -0.299 0.000 0.929 619 K CB -0.146 31.985 32.500 -0.615 0.000 0.713 619 K HN 0.284 nan 8.250 nan 0.000 0.439 620 E N -0.174 120.006 120.200 -0.032 0.000 2.058 620 E HA -0.237 4.117 4.350 0.006 0.000 0.194 620 E C 1.790 178.433 176.600 0.070 0.000 0.997 620 E CA 1.269 57.686 56.400 0.028 0.000 0.801 620 E CB -0.192 29.528 29.700 0.032 0.000 0.746 620 E HN 0.457 nan 8.360 nan 0.000 0.450 621 A N 0.503 123.382 122.820 0.098 0.000 1.873 621 A HA -0.162 4.162 4.320 0.006 0.000 0.215 621 A C 2.035 179.686 177.584 0.112 0.000 1.186 621 A CA 1.299 53.401 52.037 0.108 0.000 0.616 621 A CB -0.941 18.145 19.000 0.142 0.000 0.823 621 A HN 0.505 nan 8.150 nan 0.000 0.442 622 F N 1.177 121.134 119.950 0.011 0.000 2.075 622 F HA -0.204 4.327 4.527 0.006 0.000 0.297 622 F C 1.625 177.427 175.800 0.003 0.000 1.113 622 F CA 2.176 60.177 58.000 0.002 0.000 1.218 622 F CB -0.100 38.926 39.000 0.043 0.000 0.984 622 F HN 0.234 nan 8.300 nan 0.000 0.472 623 D N -0.404 120.182 120.400 0.310 0.000 2.310 623 D HA -0.129 4.515 4.640 0.006 0.000 0.212 623 D C 2.380 178.715 176.300 0.058 0.000 0.965 623 D CA 1.216 55.331 54.000 0.192 0.000 0.879 623 D CB -0.509 40.384 40.800 0.155 0.000 0.921 623 D HN 0.369 nan 8.370 nan 0.000 0.510 624 S N -0.363 115.354 115.700 0.028 0.000 2.515 624 S HA -0.107 4.367 4.470 0.006 0.000 0.231 624 S C 1.872 176.449 174.600 -0.038 0.000 0.987 624 S CA 1.263 59.461 58.200 -0.004 0.000 0.936 624 S CB -0.547 62.656 63.200 0.004 0.000 0.766 624 S HN 0.308 nan 8.310 nan 0.000 0.528 625 T N -1.673 112.835 114.554 -0.077 0.000 3.067 625 T HA 0.273 4.626 4.350 0.006 0.000 0.261 625 T C 0.659 175.313 174.700 -0.078 0.000 1.110 625 T CA 0.475 62.511 62.100 -0.106 0.000 1.113 625 T CB -0.211 68.536 68.868 -0.201 0.000 0.917 625 T HN 0.445 nan 8.240 nan 0.000 0.499 626 S N -1.055 114.611 115.700 -0.056 0.000 2.578 626 S HA 0.494 4.968 4.470 0.006 0.000 0.272 626 S C -0.119 174.443 174.600 -0.064 0.000 1.145 626 S CA -0.872 57.307 58.200 -0.034 0.000 0.835 626 S CB 1.378 64.591 63.200 0.022 0.000 1.104 626 S HN 0.078 nan 8.310 nan 0.000 0.458 627 R N 1.218 121.614 120.500 -0.174 0.000 2.115 627 R HA 0.209 4.553 4.340 0.006 0.000 0.230 627 R C 1.305 177.370 176.300 -0.393 0.000 1.111 627 R CA 2.036 57.923 56.100 -0.354 0.000 0.976 627 R CB -0.518 29.424 30.300 -0.598 0.000 0.870 627 R HN 0.673 nan 8.270 nan 0.000 0.445 628 F N 0.258 120.228 119.950 0.034 0.000 2.473 628 F HA 0.283 4.814 4.527 0.006 0.000 0.294 628 F C 1.125 176.975 175.800 0.084 0.000 1.103 628 F CA -0.074 57.955 58.000 0.049 0.000 1.442 628 F CB -0.220 38.803 39.000 0.039 0.000 1.097 628 F HN -0.113 nan 8.300 nan 0.000 0.547 629 A N 2.043 125.007 122.820 0.240 0.000 2.513 629 A HA 0.223 4.547 4.320 0.006 0.000 0.274 629 A C 0.088 177.854 177.584 0.302 0.000 1.115 629 A CA 0.076 52.283 52.037 0.283 0.000 0.792 629 A CB -0.333 18.764 19.000 0.162 0.000 1.053 629 A HN 0.118 nan 8.150 nan 0.000 0.515 630 R N 2.731 123.406 120.500 0.291 0.000 2.468 630 R HA 0.267 4.610 4.340 0.006 0.000 0.302 630 R C -1.248 175.130 176.300 0.130 0.000 1.041 630 R CA -0.890 55.329 56.100 0.197 0.000 0.899 630 R CB 1.183 31.567 30.300 0.142 0.000 1.167 630 R HN 0.643 nan 8.270 nan 0.000 0.483 631 L N 3.367 124.612 121.223 0.037 0.000 2.418 631 L HA 0.092 4.436 4.340 0.006 0.000 0.274 631 L C 1.108 178.030 176.870 0.087 0.000 1.135 631 L CA 0.886 55.638 54.840 -0.147 0.000 0.870 631 L CB 0.797 42.629 42.059 -0.377 0.000 1.154 631 L HN 0.554 nan 8.230 nan 0.000 0.462 632 Q N 4.205 124.057 119.800 0.086 0.000 2.141 632 Q HA 0.121 4.465 4.340 0.006 0.000 0.194 632 Q C -0.249 175.820 176.000 0.115 0.000 0.975 632 Q CA 1.098 56.968 55.803 0.112 0.000 0.834 632 Q CB 0.269 29.031 28.738 0.040 0.000 0.916 632 Q HN 0.727 nan 8.270 nan 0.000 0.484 633 K N -1.047 119.391 120.400 0.062 0.000 2.499 633 K HA 0.612 4.936 4.320 0.006 0.000 0.277 633 K C -1.659 174.953 176.600 0.020 0.000 1.025 633 K CA -0.884 55.360 56.287 -0.073 0.000 0.900 633 K CB 1.286 33.715 32.500 -0.118 0.000 1.494 633 K HN -0.122 nan 8.250 nan 0.000 0.442 634 L N 1.236 122.426 121.223 -0.056 0.000 2.409 634 L HA 0.379 4.723 4.340 0.006 0.000 0.272 634 L C -1.684 175.182 176.870 -0.007 0.000 0.980 634 L CA -0.291 54.519 54.840 -0.051 0.000 0.826 634 L CB 1.638 43.678 42.059 -0.031 0.000 1.268 634 L HN 0.860 nan 8.230 nan 0.000 0.407 635 H N 1.417 120.458 119.070 -0.048 0.000 2.587 635 H HA 0.710 5.269 4.556 0.005 0.000 0.325 635 H C -0.715 174.684 175.328 0.118 0.000 1.012 635 H CA -0.260 55.804 56.048 0.027 0.000 1.213 635 H CB 1.238 31.021 29.762 0.034 0.000 1.431 635 H HN 0.652 nan 8.280 nan 0.000 0.492 636 T N 1.645 116.027 114.554 -0.287 0.000 2.885 636 T HA 0.596 4.950 4.350 0.006 0.000 0.285 636 T C -0.515 174.055 174.700 -0.216 0.000 1.019 636 T CA -0.993 61.018 62.100 -0.148 0.000 1.010 636 T CB 1.646 70.442 68.868 -0.120 0.000 1.022 636 T HN 0.465 nan 8.240 nan 0.000 0.466 637 S N 1.883 117.495 115.700 -0.147 0.000 2.547 637 S HA 0.679 5.153 4.470 0.006 0.000 0.281 637 S C -1.006 173.562 174.600 -0.053 0.000 1.118 637 S CA -0.924 57.199 58.200 -0.128 0.000 0.947 637 S CB 0.717 63.804 63.200 -0.189 0.000 1.053 637 S HN 0.751 nan 8.310 nan 0.000 0.482 638 I N 3.098 123.655 120.570 -0.021 0.000 2.460 638 I HA 0.644 4.818 4.170 0.006 0.000 0.298 638 I C -0.057 176.089 176.117 0.048 0.000 0.989 638 I CA -0.763 60.543 61.300 0.011 0.000 1.173 638 I CB 1.866 39.854 38.000 -0.021 0.000 1.338 638 I HN 0.791 nan 8.210 nan 0.000 0.456 639 A N 4.954 127.827 122.820 0.089 0.000 2.815 639 A HA 0.656 4.980 4.320 0.006 0.000 0.318 639 A C 0.353 177.969 177.584 0.053 0.000 1.186 639 A CA 0.131 52.223 52.037 0.091 0.000 0.754 639 A CB 0.397 19.506 19.000 0.180 0.000 1.151 639 A HN 1.080 nan 8.150 nan 0.000 0.452 640 G N 2.861 111.674 108.800 0.022 0.000 2.591 640 G HA2 -0.391 3.573 3.960 0.006 0.000 0.298 640 G HA3 -0.391 3.573 3.960 0.006 0.000 0.298 640 G C 1.118 176.011 174.900 -0.011 0.000 1.195 640 G CA 0.906 46.010 45.100 0.007 0.000 0.989 640 G HN 1.606 nan 8.290 nan 0.000 0.551 641 R N 1.310 121.799 120.500 -0.018 0.000 2.313 641 R HA 0.168 4.512 4.340 0.006 0.000 0.199 641 R C 0.220 176.479 176.300 -0.069 0.000 0.958 641 R CA 0.624 56.700 56.100 -0.039 0.000 1.047 641 R CB -0.251 30.031 30.300 -0.031 0.000 0.955 641 R HN 0.367 nan 8.270 nan 0.000 0.481 642 N N 1.298 119.956 118.700 -0.070 0.000 2.524 642 N HA 0.249 4.993 4.740 0.006 0.000 0.283 642 N C -1.355 174.034 175.510 -0.201 0.000 1.142 642 N CA -0.526 52.424 53.050 -0.167 0.000 0.984 642 N CB 1.615 40.009 38.487 -0.155 0.000 1.155 642 N HN 0.090 nan 8.380 nan 0.000 0.467 643 L N 2.523 123.543 121.223 -0.338 0.000 2.441 643 L HA 0.432 4.776 4.340 0.006 0.000 0.270 643 L C -1.835 174.793 176.870 -0.404 0.000 0.973 643 L CA -0.629 54.057 54.840 -0.257 0.000 0.842 643 L CB 0.666 42.623 42.059 -0.170 0.000 1.239 643 L HN 0.419 nan 8.230 nan 0.000 0.406 644 Y N 5.647 125.820 120.300 -0.212 0.000 2.328 644 Y HA 0.630 5.183 4.550 0.005 0.000 0.337 644 Y C -0.030 175.779 175.900 -0.151 0.000 1.008 644 Y CA -0.431 57.515 58.100 -0.257 0.000 1.129 644 Y CB 1.351 39.391 38.460 -0.701 0.000 1.185 644 Y HN 0.399 nan 8.280 nan 0.000 0.476 645 I N 4.172 124.836 120.570 0.156 0.000 2.418 645 I HA 0.400 4.574 4.170 0.006 0.000 0.287 645 I C -0.289 175.988 176.117 0.268 0.000 1.008 645 I CA -0.805 60.568 61.300 0.122 0.000 1.104 645 I CB 1.648 39.660 38.000 0.020 0.000 1.264 645 I HN 0.466 nan 8.210 nan 0.000 0.438 646 R N 6.297 126.954 120.500 0.261 0.000 2.233 646 R HA 0.437 4.781 4.340 0.006 0.000 0.334 646 R C -1.368 174.978 176.300 0.076 0.000 1.037 646 R CA -0.529 55.733 56.100 0.270 0.000 0.920 646 R CB 0.493 30.934 30.300 0.236 0.000 1.137 646 R HN 0.347 nan 8.270 nan 0.000 0.492 647 F N 2.572 122.614 119.950 0.153 0.000 2.410 647 F HA 0.212 4.744 4.527 0.007 0.000 0.348 647 F C 0.610 176.426 175.800 0.027 0.000 1.106 647 F CA 0.049 58.086 58.000 0.062 0.000 1.163 647 F CB 1.404 40.467 39.000 0.105 0.000 1.129 647 F HN 0.389 nan 8.300 nan 0.000 0.516 648 Q N 2.748 122.606 119.800 0.097 0.000 2.321 648 Q HA 0.613 4.956 4.340 0.006 0.000 0.270 648 Q C -1.159 174.851 176.000 0.017 0.000 1.032 648 Q CA -0.495 55.349 55.803 0.068 0.000 0.784 648 Q CB 1.917 30.677 28.738 0.037 0.000 1.264 648 Q HN 0.704 nan 8.270 nan 0.000 0.448 649 S N 2.987 118.729 115.700 0.071 0.000 2.550 649 S HA 0.575 5.049 4.470 0.006 0.000 0.270 649 S C -1.132 173.544 174.600 0.126 0.000 1.145 649 S CA -0.790 57.463 58.200 0.088 0.000 0.852 649 S CB 1.333 64.621 63.200 0.146 0.000 1.119 649 S HN 0.743 nan 8.310 nan 0.000 0.465 650 R N 0.931 121.505 120.500 0.123 0.000 2.649 650 R HA 0.514 4.858 4.340 0.006 0.000 0.270 650 R C 0.095 176.483 176.300 0.146 0.000 1.105 650 R CA 0.239 56.406 56.100 0.111 0.000 1.193 650 R CB 0.690 31.051 30.300 0.101 0.000 1.120 650 R HN 0.807 nan 8.270 nan 0.000 0.561 651 S N -1.135 114.628 115.700 0.104 0.000 2.801 651 S HA 0.246 4.719 4.470 0.006 0.000 0.236 651 S C 0.586 175.153 174.600 -0.054 0.000 0.852 651 S CA -0.265 57.990 58.200 0.092 0.000 1.089 651 S CB 0.532 63.772 63.200 0.066 0.000 1.376 651 S HN 1.104 nan 8.310 nan 0.000 0.470 652 G N 2.994 111.774 108.800 -0.034 0.000 2.611 652 G HA2 -0.329 3.635 3.960 0.006 0.000 0.301 652 G HA3 -0.329 3.635 3.960 0.006 0.000 0.301 652 G C 0.111 174.892 174.900 -0.197 0.000 1.233 652 G CA 0.832 45.795 45.100 -0.229 0.000 0.993 652 G HN 0.504 nan 8.290 nan 0.000 0.553 653 D N 1.977 122.206 120.400 -0.285 0.000 2.349 653 D HA 0.420 5.064 4.640 0.006 0.000 0.214 653 D C 1.231 177.435 176.300 -0.160 0.000 1.063 653 D CA 0.792 54.686 54.000 -0.177 0.000 0.847 653 D CB 0.243 40.949 40.800 -0.157 0.000 0.933 653 D HN 0.731 nan 8.370 nan 0.000 0.513 654 A N 1.114 123.824 122.820 -0.183 0.000 2.316 654 A HA 0.215 4.539 4.320 0.006 0.000 0.284 654 A C 1.287 178.827 177.584 -0.074 0.000 1.115 654 A CA -0.423 51.540 52.037 -0.124 0.000 0.812 654 A CB 1.116 20.042 19.000 -0.122 0.000 1.064 654 A HN 0.002 nan 8.150 nan 0.000 0.489 655 M N 1.924 121.489 119.600 -0.059 0.000 2.267 655 M HA -0.069 4.415 4.480 0.006 0.000 0.263 655 M C 1.353 177.653 176.300 -0.001 0.000 1.063 655 M CA 2.403 57.682 55.300 -0.034 0.000 1.090 655 M CB -0.975 31.602 32.600 -0.039 0.000 1.392 655 M HN 1.740 nan 8.290 nan 0.000 0.422 656 G N 0.100 108.900 108.800 -0.001 0.000 2.143 656 G HA2 -0.331 3.633 3.960 0.006 0.000 0.249 656 G HA3 -0.331 3.633 3.960 0.006 0.000 0.249 656 G C 0.597 175.527 174.900 0.050 0.000 0.981 656 G CA 0.838 45.956 45.100 0.031 0.000 0.665 656 G HN 0.468 nan 8.290 nan 0.000 0.528 657 M N 0.851 120.474 119.600 0.039 0.000 2.084 657 M HA 0.015 4.499 4.480 0.006 0.000 0.259 657 M C 2.378 178.700 176.300 0.037 0.000 1.072 657 M CA 2.611 57.939 55.300 0.047 0.000 1.107 657 M CB -0.554 32.070 32.600 0.040 0.000 1.299 657 M HN 0.302 nan 8.290 nan 0.000 0.413 658 N N -0.367 118.346 118.700 0.021 0.000 2.104 658 N HA -0.211 4.533 4.740 0.006 0.000 0.190 658 N C 1.813 177.319 175.510 -0.007 0.000 1.024 658 N CA 1.829 54.883 53.050 0.007 0.000 0.853 658 N CB -0.526 37.963 38.487 0.004 0.000 1.008 658 N HN 0.490 nan 8.380 nan 0.000 0.424 659 M N 0.464 120.068 119.600 0.006 0.000 2.086 659 M HA -0.132 4.352 4.480 0.006 0.000 0.261 659 M C 1.462 177.738 176.300 -0.041 0.000 1.067 659 M CA 1.390 56.688 55.300 -0.004 0.000 1.116 659 M CB 0.062 32.690 32.600 0.047 0.000 1.348 659 M HN -0.033 nan 8.290 nan 0.000 0.407 660 I N 0.002 120.597 120.570 0.042 0.000 2.361 660 I HA -0.199 3.975 4.170 0.006 0.000 0.251 660 I C 2.389 178.497 176.117 -0.016 0.000 1.133 660 I CA 1.129 62.498 61.300 0.115 0.000 1.413 660 I CB -1.668 36.471 38.000 0.232 0.000 1.073 660 I HN 0.309 nan 8.210 nan 0.000 0.424 661 S N 0.757 116.441 115.700 -0.026 0.000 2.356 661 S HA -0.155 4.319 4.470 0.006 0.000 0.223 661 S C 1.975 176.493 174.600 -0.137 0.000 1.032 661 S CA 1.148 59.316 58.200 -0.054 0.000 1.005 661 S CB -0.098 63.090 63.200 -0.019 0.000 0.867 661 S HN 0.424 nan 8.310 nan 0.000 0.449 662 K N 0.613 120.920 120.400 -0.156 0.000 2.032 662 K HA -0.089 4.235 4.320 0.006 0.000 0.209 662 K C 2.390 178.786 176.600 -0.339 0.000 1.048 662 K CA 1.260 57.432 56.287 -0.193 0.000 0.927 662 K CB -0.635 31.771 32.500 -0.156 0.000 0.712 662 K HN 0.432 nan 8.250 nan 0.000 0.441 663 G N 0.561 109.002 108.800 -0.598 0.000 2.418 663 G HA2 -0.250 3.713 3.960 0.006 0.000 0.217 663 G HA3 -0.250 3.713 3.960 0.006 0.000 0.217 663 G C 1.489 175.893 174.900 -0.826 0.000 1.158 663 G CA 1.384 45.755 45.100 -1.215 0.000 0.771 663 G HN 0.237 nan 8.290 nan 0.000 0.545 664 T N 0.794 115.033 114.554 -0.526 0.000 2.708 664 T HA -0.079 4.275 4.350 0.006 0.000 0.266 664 T C 2.183 176.690 174.700 -0.322 0.000 1.037 664 T CA 1.586 63.382 62.100 -0.506 0.000 1.146 664 T CB -0.192 68.456 68.868 -0.366 0.000 0.865 664 T HN 0.461 nan 8.240 nan 0.000 0.435 665 E N 0.499 120.571 120.200 -0.212 0.000 2.077 665 E HA -0.122 4.232 4.350 0.006 0.000 0.193 665 E C 2.389 178.932 176.600 -0.095 0.000 0.989 665 E CA 0.730 57.057 56.400 -0.122 0.000 0.800 665 E CB -0.008 29.634 29.700 -0.097 0.000 0.746 665 E HN 0.100 nan 8.360 nan 0.000 0.452 666 K N 0.659 120.983 120.400 -0.127 0.000 2.057 666 K HA -0.061 4.263 4.320 0.006 0.000 0.206 666 K C 1.966 178.570 176.600 0.007 0.000 1.050 666 K CA 1.176 57.423 56.287 -0.067 0.000 0.935 666 K CB -0.208 32.232 32.500 -0.100 0.000 0.715 666 K HN 0.101 nan 8.250 nan 0.000 0.439 667 A N 1.217 124.041 122.820 0.007 0.000 1.898 667 A HA -0.100 4.224 4.320 0.006 0.000 0.216 667 A C 2.367 180.070 177.584 0.198 0.000 1.181 667 A CA 1.175 53.305 52.037 0.155 0.000 0.620 667 A CB -0.560 18.592 19.000 0.253 0.000 0.819 667 A HN 0.275 nan 8.150 nan 0.000 0.442 668 L N -0.467 120.827 121.223 0.118 0.000 2.083 668 L HA -0.162 4.182 4.340 0.006 0.000 0.209 668 L C 2.942 179.911 176.870 0.165 0.000 1.083 668 L CA 1.470 56.412 54.840 0.169 0.000 0.752 668 L CB -0.499 41.622 42.059 0.103 0.000 0.899 668 L HN 0.550 nan 8.230 nan 0.000 0.433 669 S N 0.383 116.143 115.700 0.100 0.000 2.359 669 S HA -0.266 4.208 4.470 0.006 0.000 0.224 669 S C 2.091 176.790 174.600 0.165 0.000 1.035 669 S CA 1.947 60.199 58.200 0.087 0.000 1.018 669 S CB -0.077 63.139 63.200 0.027 0.000 0.876 669 S HN 0.263 nan 8.310 nan 0.000 0.448 670 K N 0.853 121.360 120.400 0.179 0.000 2.057 670 K HA 0.018 4.342 4.320 0.006 0.000 0.207 670 K C 2.014 178.812 176.600 0.331 0.000 1.049 670 K CA 1.453 57.882 56.287 0.236 0.000 0.931 670 K CB -0.953 31.699 32.500 0.252 0.000 0.714 670 K HN 0.396 nan 8.250 nan 0.000 0.440 671 L N 0.590 122.008 121.223 0.325 0.000 2.046 671 L HA -0.133 4.211 4.340 0.006 0.000 0.208 671 L C 2.155 179.202 176.870 0.295 0.000 1.077 671 L CA 2.260 57.294 54.840 0.324 0.000 0.747 671 L CB -0.929 41.317 42.059 0.311 0.000 0.896 671 L HN 0.518 nan 8.230 nan 0.000 0.432 672 H N -0.452 118.716 119.070 0.163 0.000 2.422 672 H HA -0.155 4.404 4.556 0.006 0.000 0.298 672 H C 2.028 177.386 175.328 0.050 0.000 1.098 672 H CA 2.077 58.191 56.048 0.109 0.000 1.315 672 H CB 0.122 29.926 29.762 0.069 0.000 1.382 672 H HN 0.544 nan 8.280 nan 0.000 0.523 673 E N -0.854 119.406 120.200 0.100 0.000 2.204 673 E HA -0.187 4.167 4.350 0.006 0.000 0.194 673 E C 1.277 177.703 176.600 -0.289 0.000 0.989 673 E CA 1.066 57.416 56.400 -0.084 0.000 0.824 673 E CB -0.014 29.628 29.700 -0.096 0.000 0.756 673 E HN 0.659 nan 8.360 nan 0.000 0.477 674 Y N -1.198 118.919 120.300 -0.306 0.000 2.490 674 Y HA 0.061 4.615 4.550 0.007 0.000 0.285 674 Y C 0.389 175.672 175.900 -1.029 0.000 1.117 674 Y CA 0.440 58.130 58.100 -0.683 0.000 1.262 674 Y CB 0.574 38.444 38.460 -0.982 0.000 1.043 674 Y HN -0.109 nan 8.280 nan 0.000 0.553 675 F N 0.691 120.527 119.950 -0.190 0.000 2.809 675 F HA 0.324 4.857 4.527 0.008 0.000 0.369 675 F C -1.890 173.705 175.800 -0.342 0.000 1.225 675 F CA -2.380 55.484 58.000 -0.226 0.000 1.201 675 F CB 1.121 40.003 39.000 -0.195 0.000 1.527 675 F HN -0.185 nan 8.300 nan 0.000 0.565 676 P HA -0.196 nan 4.420 nan 0.000 0.219 676 P C 0.664 177.785 177.300 -0.300 0.000 1.146 676 P CA 1.539 64.347 63.100 -0.487 0.000 0.808 676 P CB 0.368 31.917 31.700 -0.251 0.000 0.779 677 E N -0.939 119.195 120.200 -0.111 0.000 2.502 677 E HA 0.046 4.400 4.350 0.006 0.000 0.194 677 E C 1.103 177.709 176.600 0.009 0.000 1.062 677 E CA -0.241 56.145 56.400 -0.024 0.000 0.867 677 E CB -0.221 29.479 29.700 -0.000 0.000 0.888 677 E HN 0.315 nan 8.360 nan 0.000 0.510 678 M N 2.166 121.770 119.600 0.007 0.000 2.217 678 M HA -0.005 4.478 4.480 0.006 0.000 0.352 678 M C -0.281 176.109 176.300 0.150 0.000 1.376 678 M CA 0.226 55.565 55.300 0.065 0.000 1.107 678 M CB 0.645 33.294 32.600 0.082 0.000 1.723 678 M HN -0.150 nan 8.290 nan 0.000 0.461 679 Q N 5.776 125.623 119.800 0.080 0.000 2.290 679 Q HA 0.409 4.753 4.340 0.006 0.000 0.259 679 Q C -1.483 174.543 176.000 0.043 0.000 0.941 679 Q CA -0.553 55.292 55.803 0.070 0.000 0.912 679 Q CB 1.080 29.838 28.738 0.032 0.000 1.244 679 Q HN 0.844 nan 8.270 nan 0.000 0.441 680 I N 5.801 126.397 120.570 0.042 0.000 2.294 680 I HA -0.024 4.150 4.170 0.006 0.000 0.295 680 I C 0.805 176.927 176.117 0.008 0.000 1.098 680 I CA -0.266 61.049 61.300 0.025 0.000 1.277 680 I CB 0.739 38.752 38.000 0.022 0.000 1.434 680 I HN 0.738 nan 8.210 nan 0.000 0.498 681 L N 6.783 128.004 121.223 -0.004 0.000 2.072 681 L HA 0.230 4.573 4.340 0.006 0.000 0.205 681 L C 0.838 177.716 176.870 0.013 0.000 1.079 681 L CA 1.204 56.043 54.840 -0.003 0.000 0.752 681 L CB -0.060 41.986 42.059 -0.022 0.000 0.906 681 L HN 0.694 nan 8.230 nan 0.000 0.436 682 A N -2.528 120.306 122.820 0.022 0.000 2.532 682 A HA 0.390 4.713 4.320 0.006 0.000 0.296 682 A C 0.325 177.944 177.584 0.059 0.000 1.058 682 A CA 0.117 52.178 52.037 0.042 0.000 0.729 682 A CB 0.388 19.422 19.000 0.057 0.000 1.285 682 A HN -0.115 nan 8.150 nan 0.000 0.396 683 V N 1.559 121.505 119.914 0.053 0.000 2.688 683 V HA 0.013 4.137 4.120 0.006 0.000 0.256 683 V C 0.917 177.072 176.094 0.102 0.000 1.084 683 V CA 2.763 65.099 62.300 0.061 0.000 1.103 683 V CB 0.085 31.927 31.823 0.032 0.000 0.688 683 V HN 1.304 nan 8.190 nan 0.000 0.480 684 S N -0.724 115.041 115.700 0.108 0.000 2.659 684 S HA 0.638 5.112 4.470 0.006 0.000 0.312 684 S C 0.430 175.128 174.600 0.164 0.000 1.114 684 S CA -0.026 58.261 58.200 0.145 0.000 1.063 684 S CB 1.286 64.559 63.200 0.122 0.000 0.996 684 S HN 0.482 nan 8.310 nan 0.000 0.478 685 G N 2.995 111.936 108.800 0.235 0.000 3.523 685 G HA2 0.211 4.175 3.960 0.006 0.000 0.270 685 G HA3 0.211 4.175 3.960 0.006 0.000 0.270 685 G C 0.421 175.509 174.900 0.314 0.000 1.134 685 G CA -0.540 44.741 45.100 0.302 0.000 0.825 685 G HN 0.812 nan 8.290 nan 0.000 0.534 686 N N -1.595 117.244 118.700 0.232 0.000 2.800 686 N HA -0.230 4.514 4.740 0.006 0.000 0.250 686 N C 0.336 175.977 175.510 0.218 0.000 1.078 686 N CA 0.773 53.931 53.050 0.180 0.000 0.804 686 N CB -1.569 36.994 38.487 0.126 0.000 1.135 686 N HN 0.510 nan 8.380 nan 0.000 0.565 687 Y N -0.261 120.113 120.300 0.123 0.000 2.468 687 Y HA 0.245 4.798 4.550 0.006 0.000 0.268 687 Y C 1.710 177.682 175.900 0.120 0.000 1.177 687 Y CA -0.074 58.087 58.100 0.101 0.000 1.265 687 Y CB -0.032 38.535 38.460 0.177 0.000 1.103 687 Y HN 0.353 nan 8.280 nan 0.000 0.522 688 C N -0.768 118.620 119.300 0.147 0.000 2.455 688 C HA -0.079 4.385 4.460 0.006 0.000 0.281 688 C C 1.179 176.165 174.990 -0.006 0.000 1.237 688 C CA 1.132 60.203 59.018 0.088 0.000 1.726 688 C CB -1.209 26.602 27.740 0.118 0.000 2.068 688 C HN 0.329 nan 8.230 nan 0.000 0.466 689 T N 0.842 115.394 114.554 -0.002 0.000 2.794 689 T HA 0.377 4.731 4.350 0.006 0.000 0.280 689 T C -1.009 173.721 174.700 0.050 0.000 0.987 689 T CA 0.086 62.209 62.100 0.038 0.000 0.993 689 T CB 1.331 70.214 68.868 0.024 0.000 0.939 689 T HN 0.316 nan 8.240 nan 0.000 0.449 690 D N 2.197 122.637 120.400 0.065 0.000 2.274 690 D HA 0.307 4.950 4.640 0.006 0.000 0.239 690 D C 0.130 176.463 176.300 0.054 0.000 1.104 690 D CA -0.426 53.612 54.000 0.063 0.000 0.840 690 D CB 0.454 41.297 40.800 0.071 0.000 1.100 690 D HN 0.481 nan 8.370 nan 0.000 0.477 691 K N 0.818 121.248 120.400 0.049 0.000 3.130 691 K HA -0.245 4.078 4.320 0.006 0.000 0.282 691 K C -0.616 176.001 176.600 0.029 0.000 1.145 691 K CA 0.817 57.128 56.287 0.040 0.000 0.831 691 K CB -0.924 31.602 32.500 0.043 0.000 1.226 691 K HN 0.331 nan 8.250 nan 0.000 0.478 692 K N 0.047 120.463 120.400 0.027 0.000 2.464 692 K HA 0.358 4.682 4.320 0.006 0.000 0.253 692 K C -2.690 173.916 176.600 0.011 0.000 0.933 692 K CA -2.029 54.269 56.287 0.018 0.000 0.801 692 K CB 1.610 34.125 32.500 0.025 0.000 1.271 692 K HN -0.226 nan 8.250 nan 0.000 0.430 693 P HA 0.283 nan 4.420 nan 0.000 0.268 693 P C -1.354 175.943 177.300 -0.005 0.000 1.205 693 P CA -0.391 62.700 63.100 -0.015 0.000 0.771 693 P CB 1.119 32.795 31.700 -0.040 0.000 0.858 694 A N 1.733 124.555 122.820 0.003 0.000 2.555 694 A HA 0.553 4.877 4.320 0.006 0.000 0.297 694 A C 0.752 178.358 177.584 0.037 0.000 1.060 694 A CA -0.099 51.945 52.037 0.012 0.000 0.710 694 A CB 0.964 19.969 19.000 0.009 0.000 1.282 694 A HN 0.389 nan 8.150 nan 0.000 0.399 695 A N 1.518 124.363 122.820 0.042 0.000 2.015 695 A HA -0.007 4.317 4.320 0.006 0.000 0.219 695 A C 1.773 179.419 177.584 0.103 0.000 1.163 695 A CA 1.749 53.846 52.037 0.099 0.000 0.646 695 A CB -0.597 18.453 19.000 0.085 0.000 0.806 695 A HN 1.307 nan 8.150 nan 0.000 0.448 696 I N -0.041 120.536 120.570 0.011 0.000 2.208 696 I HA -0.287 3.886 4.170 0.006 0.000 0.245 696 I C 1.859 177.945 176.117 -0.053 0.000 1.097 696 I CA 1.689 62.943 61.300 -0.078 0.000 1.363 696 I CB -0.157 37.708 38.000 -0.226 0.000 1.051 696 I HN 0.280 nan 8.210 nan 0.000 0.413 697 N N 0.409 119.113 118.700 0.007 0.000 2.188 697 N HA -0.249 4.495 4.740 0.006 0.000 0.184 697 N C 1.464 177.041 175.510 0.112 0.000 1.018 697 N CA 1.491 54.563 53.050 0.038 0.000 0.858 697 N CB -0.635 37.891 38.487 0.064 0.000 0.989 697 N HN 0.638 nan 8.380 nan 0.000 0.426 698 W N 1.520 122.796 121.300 -0.040 0.000 2.379 698 W HA -0.037 4.625 4.660 0.004 0.000 0.307 698 W C 1.511 178.009 176.519 -0.035 0.000 1.200 698 W CA 0.783 58.116 57.345 -0.020 0.000 1.297 698 W CB -0.159 29.304 29.460 0.005 0.000 1.140 698 W HN -0.026 nan 8.180 nan 0.000 0.507 699 I N 0.479 121.054 120.570 0.009 0.000 2.480 699 I HA -0.194 3.980 4.170 0.006 0.000 0.251 699 I C 1.853 177.865 176.117 -0.174 0.000 1.124 699 I CA 1.297 62.514 61.300 -0.139 0.000 1.444 699 I CB -0.360 37.622 38.000 -0.029 0.000 1.098 699 I HN -0.087 nan 8.210 nan 0.000 0.428 700 E N 0.582 120.691 120.200 -0.151 0.000 2.476 700 E HA 0.254 4.608 4.350 0.006 0.000 0.199 700 E C 0.733 177.253 176.600 -0.133 0.000 1.021 700 E CA 0.300 56.598 56.400 -0.170 0.000 0.907 700 E CB 0.648 30.206 29.700 -0.237 0.000 0.974 700 E HN 0.426 nan 8.360 nan 0.000 0.489 701 G N 2.138 110.873 108.800 -0.108 0.000 2.758 701 G HA2 -0.260 3.703 3.960 0.006 0.000 0.686 701 G HA3 -0.260 3.703 3.960 0.006 0.000 0.686 701 G C -0.604 174.271 174.900 -0.041 0.000 1.389 701 G CA -0.217 44.839 45.100 -0.073 0.000 0.845 701 G HN 0.196 nan 8.290 nan 0.000 0.572 702 R N 0.527 121.021 120.500 -0.010 0.000 2.560 702 R HA 0.582 4.925 4.340 0.006 0.000 0.267 702 R C 0.939 177.254 176.300 0.025 0.000 1.150 702 R CA 0.809 56.915 56.100 0.010 0.000 0.997 702 R CB 0.909 31.222 30.300 0.022 0.000 1.250 702 R HN 2.827 nan 8.270 nan 0.000 0.433 703 G N 3.378 112.196 108.800 0.030 0.000 2.523 703 G HA2 -0.321 3.642 3.960 0.006 0.000 0.271 703 G HA3 -0.321 3.642 3.960 0.006 0.000 0.271 703 G C -1.019 173.892 174.900 0.019 0.000 1.146 703 G CA 0.205 45.325 45.100 0.032 0.000 0.961 703 G HN 0.512 nan 8.290 nan 0.000 0.549 704 K N 0.857 121.269 120.400 0.020 0.000 2.235 704 K HA 0.629 4.952 4.320 0.006 0.000 0.266 704 K C -0.526 176.075 176.600 0.001 0.000 0.980 704 K CA -0.148 56.144 56.287 0.008 0.000 0.849 704 K CB 1.718 34.222 32.500 0.006 0.000 1.098 704 K HN 0.394 nan 8.250 nan 0.000 0.445 705 S N 1.924 117.614 115.700 -0.016 0.000 2.457 705 S HA 0.467 4.940 4.470 0.006 0.000 0.289 705 S C -0.574 174.008 174.600 -0.029 0.000 1.163 705 S CA -0.804 57.376 58.200 -0.034 0.000 1.078 705 S CB 0.923 64.086 63.200 -0.061 0.000 0.987 705 S HN 0.261 nan 8.310 nan 0.000 0.482 706 V N 3.218 123.117 119.914 -0.026 0.000 2.925 706 V HA 0.660 4.784 4.120 0.006 0.000 0.311 706 V C -0.618 175.464 176.094 -0.021 0.000 1.104 706 V CA -0.774 61.515 62.300 -0.019 0.000 0.954 706 V CB 2.119 33.935 31.823 -0.011 0.000 1.022 706 V HN 0.588 nan 8.190 nan 0.000 0.427 707 V N 3.139 123.044 119.914 -0.016 0.000 2.656 707 V HA 0.783 4.907 4.120 0.006 0.000 0.307 707 V C -0.935 175.157 176.094 -0.003 0.000 1.051 707 V CA -0.193 62.101 62.300 -0.010 0.000 0.893 707 V CB 1.783 33.602 31.823 -0.007 0.000 0.999 707 V HN 1.135 nan 8.190 nan 0.000 0.426 708 C N 5.885 125.181 119.300 -0.007 0.000 2.802 708 C HA 0.949 5.413 4.460 0.006 0.000 0.307 708 C C -0.857 174.114 174.990 -0.032 0.000 1.222 708 C CA -0.029 58.982 59.018 -0.012 0.000 1.580 708 C CB 1.476 29.205 27.740 -0.018 0.000 2.119 708 C HN 1.113 nan 8.230 nan 0.000 0.479 709 E N 2.943 123.122 120.200 -0.035 0.000 2.412 709 E HA 0.806 5.159 4.350 0.006 0.000 0.279 709 E C -1.384 175.171 176.600 -0.075 0.000 0.984 709 E CA -0.759 55.581 56.400 -0.099 0.000 0.788 709 E CB 1.801 31.499 29.700 -0.004 0.000 1.277 709 E HN 1.162 nan 8.360 nan 0.000 0.455 710 A N 0.754 123.483 122.820 -0.152 0.000 2.601 710 A HA 0.590 4.914 4.320 0.006 0.000 0.291 710 A C -1.720 175.826 177.584 -0.064 0.000 1.075 710 A CA -0.662 51.338 52.037 -0.062 0.000 0.671 710 A CB 1.845 20.816 19.000 -0.048 0.000 1.277 710 A HN 0.383 nan 8.150 nan 0.000 0.417 711 V N 2.236 122.166 119.914 0.026 0.000 2.487 711 V HA 0.473 4.597 4.120 0.006 0.000 0.298 711 V C -0.895 175.221 176.094 0.036 0.000 1.028 711 V CA -0.487 61.853 62.300 0.066 0.000 0.860 711 V CB 1.541 33.438 31.823 0.123 0.000 0.991 711 V HN 0.654 nan 8.190 nan 0.000 0.427 712 I N 6.123 126.709 120.570 0.027 0.000 2.330 712 I HA 0.418 4.592 4.170 0.006 0.000 0.289 712 I C -2.463 173.670 176.117 0.027 0.000 1.001 712 I CA -2.885 58.427 61.300 0.020 0.000 1.193 712 I CB 1.369 39.375 38.000 0.010 0.000 1.345 712 I HN 0.337 nan 8.210 nan 0.000 0.461 713 P HA 0.049 nan 4.420 nan 0.000 0.266 713 P C 0.793 178.105 177.300 0.020 0.000 1.195 713 P CA 0.149 63.263 63.100 0.023 0.000 0.768 713 P CB 0.871 32.582 31.700 0.019 0.000 0.838 714 A N 4.550 127.382 122.820 0.020 0.000 1.927 714 A HA -0.294 4.030 4.320 0.006 0.000 0.220 714 A C 2.091 179.683 177.584 0.014 0.000 1.185 714 A CA 1.981 54.028 52.037 0.017 0.000 0.639 714 A CB -1.119 17.891 19.000 0.016 0.000 0.820 714 A HN 0.586 nan 8.150 nan 0.000 0.451 715 K N -0.512 119.896 120.400 0.012 0.000 2.026 715 K HA -0.104 4.220 4.320 0.006 0.000 0.208 715 K C 1.828 178.434 176.600 0.010 0.000 1.048 715 K CA 1.677 57.970 56.287 0.010 0.000 0.929 715 K CB -0.276 32.229 32.500 0.010 0.000 0.713 715 K HN 0.272 nan 8.250 nan 0.000 0.439 716 V N 0.803 120.724 119.914 0.011 0.000 2.407 716 V HA -0.209 3.914 4.120 0.006 0.000 0.248 716 V C 2.297 178.397 176.094 0.010 0.000 1.055 716 V CA 1.395 63.702 62.300 0.011 0.000 1.049 716 V CB -0.115 31.715 31.823 0.012 0.000 0.662 716 V HN 0.156 nan 8.190 nan 0.000 0.455 717 V N -0.128 119.793 119.914 0.011 0.000 2.407 717 V HA -0.260 3.864 4.120 0.006 0.000 0.248 717 V C 2.562 178.661 176.094 0.008 0.000 1.055 717 V CA 2.283 64.589 62.300 0.010 0.000 1.049 717 V CB -0.737 31.094 31.823 0.012 0.000 0.662 717 V HN 0.439 nan 8.190 nan 0.000 0.455 718 R N 0.180 120.685 120.500 0.008 0.000 2.062 718 R HA -0.104 4.239 4.340 0.006 0.000 0.229 718 R C 2.243 178.546 176.300 0.006 0.000 1.128 718 R CA 1.724 57.828 56.100 0.007 0.000 0.960 718 R CB -0.176 30.128 30.300 0.007 0.000 0.855 718 R HN 0.623 nan 8.270 nan 0.000 0.432 719 E N -1.227 118.976 120.200 0.006 0.000 2.140 719 E HA -0.040 4.314 4.350 0.006 0.000 0.191 719 E C 1.757 178.360 176.600 0.006 0.000 0.973 719 E CA 0.991 57.394 56.400 0.006 0.000 0.829 719 E CB 0.380 30.084 29.700 0.006 0.000 0.781 719 E HN 0.102 nan 8.360 nan 0.000 0.466 720 V N 0.985 120.903 119.914 0.007 0.000 2.492 720 V HA -0.074 4.049 4.120 0.006 0.000 0.241 720 V C 1.970 178.068 176.094 0.006 0.000 1.041 720 V CA 0.975 63.279 62.300 0.007 0.000 1.057 720 V CB -0.098 31.730 31.823 0.009 0.000 0.711 720 V HN 0.208 nan 8.190 nan 0.000 0.468 721 L N -0.257 120.970 121.223 0.006 0.000 2.558 721 L HA 0.161 4.504 4.340 0.006 0.000 0.225 721 L C 0.769 177.640 176.870 0.002 0.000 1.128 721 L CA 0.101 54.944 54.840 0.004 0.000 0.868 721 L CB -0.190 41.872 42.059 0.005 0.000 1.006 721 L HN 0.249 nan 8.230 nan 0.000 0.454 722 K N 0.709 121.111 120.400 0.003 0.000 3.071 722 K HA -0.188 4.136 4.320 0.006 0.000 0.265 722 K C 0.176 176.777 176.600 0.001 0.000 1.060 722 K CA 1.026 57.315 56.287 0.002 0.000 0.767 722 K CB -2.210 30.291 32.500 0.000 0.000 1.241 722 K HN 0.487 nan 8.250 nan 0.000 0.486 723 T N -1.858 112.698 114.554 0.003 0.000 2.630 723 T HA 0.555 4.908 4.350 0.006 0.000 0.300 723 T C -1.152 173.551 174.700 0.005 0.000 1.261 723 T CA 0.292 62.393 62.100 0.003 0.000 1.060 723 T CB 1.617 70.486 68.868 0.001 0.000 1.670 723 T HN 0.258 nan 8.240 nan 0.000 0.473 724 T N -1.149 113.409 114.554 0.007 0.000 2.930 724 T HA 0.503 4.857 4.350 0.006 0.000 0.290 724 T C 1.076 175.783 174.700 0.012 0.000 1.052 724 T CA -0.169 61.936 62.100 0.009 0.000 1.017 724 T CB 1.103 69.976 68.868 0.009 0.000 1.137 724 T HN 0.457 nan 8.240 nan 0.000 0.511 725 T N 0.435 114.998 114.554 0.016 0.000 2.746 725 T HA -0.106 4.248 4.350 0.006 0.000 0.267 725 T C 1.679 176.392 174.700 0.021 0.000 1.039 725 T CA 1.886 63.999 62.100 0.021 0.000 1.142 725 T CB -0.429 68.455 68.868 0.026 0.000 0.866 725 T HN 0.857 nan 8.240 nan 0.000 0.444 726 E N 0.743 120.954 120.200 0.018 0.000 2.085 726 E HA -0.148 4.206 4.350 0.006 0.000 0.194 726 E C 2.312 178.920 176.600 0.015 0.000 0.994 726 E CA 1.124 57.534 56.400 0.017 0.000 0.801 726 E CB -0.206 29.502 29.700 0.013 0.000 0.743 726 E HN 0.483 nan 8.360 nan 0.000 0.453 727 A N 0.829 123.656 122.820 0.011 0.000 1.898 727 A HA -0.146 4.178 4.320 0.006 0.000 0.216 727 A C 2.200 179.790 177.584 0.010 0.000 1.181 727 A CA 1.370 53.412 52.037 0.009 0.000 0.620 727 A CB -0.361 18.642 19.000 0.006 0.000 0.819 727 A HN 0.275 nan 8.150 nan 0.000 0.442 728 M N -0.387 119.220 119.600 0.011 0.000 2.080 728 M HA -0.118 4.365 4.480 0.006 0.000 0.260 728 M C 2.208 178.519 176.300 0.017 0.000 1.068 728 M CA 1.483 56.790 55.300 0.012 0.000 1.109 728 M CB -1.106 31.501 32.600 0.012 0.000 1.342 728 M HN 0.428 nan 8.290 nan 0.000 0.405 729 I N -0.271 120.313 120.570 0.022 0.000 2.179 729 I HA -0.272 3.901 4.170 0.006 0.000 0.242 729 I C 2.354 178.486 176.117 0.026 0.000 1.088 729 I CA 1.253 62.570 61.300 0.029 0.000 1.357 729 I CB -0.406 37.614 38.000 0.033 0.000 1.051 729 I HN 0.241 nan 8.210 nan 0.000 0.409 730 E N 0.475 120.687 120.200 0.020 0.000 2.110 730 E HA -0.144 4.210 4.350 0.006 0.000 0.193 730 E C 2.138 178.748 176.600 0.016 0.000 0.988 730 E CA 0.958 57.368 56.400 0.017 0.000 0.804 730 E CB -0.050 29.658 29.700 0.013 0.000 0.745 730 E HN 0.243 nan 8.360 nan 0.000 0.458 731 V N 0.579 120.501 119.914 0.014 0.000 2.407 731 V HA -0.184 3.940 4.120 0.006 0.000 0.245 731 V C 2.085 178.189 176.094 0.018 0.000 1.041 731 V CA 1.760 64.066 62.300 0.010 0.000 1.040 731 V CB -0.606 31.219 31.823 0.003 0.000 0.671 731 V HN 0.309 nan 8.190 nan 0.000 0.455 732 N N 0.325 119.039 118.700 0.023 0.000 2.069 732 N HA -0.148 4.596 4.740 0.006 0.000 0.191 732 N C 1.661 177.198 175.510 0.045 0.000 1.031 732 N CA 1.715 54.786 53.050 0.035 0.000 0.852 732 N CB -0.202 38.307 38.487 0.037 0.000 1.018 732 N HN 0.457 nan 8.380 nan 0.000 0.423 733 I N 0.240 120.834 120.570 0.040 0.000 2.202 733 I HA -0.218 3.956 4.170 0.006 0.000 0.242 733 I C 1.481 177.624 176.117 0.043 0.000 1.091 733 I CA 0.930 62.256 61.300 0.044 0.000 1.368 733 I CB -0.281 37.739 38.000 0.035 0.000 1.058 733 I HN 0.271 nan 8.210 nan 0.000 0.410 734 N N 0.467 119.186 118.700 0.031 0.000 2.446 734 N HA -0.115 4.628 4.740 0.006 0.000 0.179 734 N C 1.636 177.160 175.510 0.023 0.000 1.054 734 N CA 0.705 53.771 53.050 0.026 0.000 0.905 734 N CB 0.257 38.755 38.487 0.017 0.000 0.973 734 N HN 0.463 nan 8.380 nan 0.000 0.448 735 K N 0.957 121.371 120.400 0.024 0.000 2.218 735 K HA 0.105 4.429 4.320 0.006 0.000 0.214 735 K C 1.161 177.776 176.600 0.026 0.000 1.033 735 K CA 0.246 56.541 56.287 0.014 0.000 0.949 735 K CB 0.168 32.670 32.500 0.004 0.000 0.993 735 K HN -0.149 nan 8.250 nan 0.000 0.464 736 N N 1.017 119.746 118.700 0.049 0.000 2.381 736 N HA -0.051 4.693 4.740 0.006 0.000 0.182 736 N C 1.700 177.323 175.510 0.189 0.000 1.025 736 N CA 0.905 54.007 53.050 0.086 0.000 0.888 736 N CB 0.097 38.641 38.487 0.094 0.000 0.965 736 N HN 0.255 nan 8.380 nan 0.000 0.438 737 L N -0.932 120.390 121.223 0.164 0.000 2.546 737 L HA 0.138 4.481 4.340 0.006 0.000 0.182 737 L C 2.041 179.021 176.870 0.183 0.000 1.167 737 L CA 0.238 55.211 54.840 0.221 0.000 0.845 737 L CB -0.642 41.484 42.059 0.111 0.000 1.134 737 L HN -0.170 nan 8.230 nan 0.000 0.500 738 V N 0.759 120.732 119.914 0.098 0.000 2.295 738 V HA -0.169 3.955 4.120 0.006 0.000 0.246 738 V C 2.613 178.736 176.094 0.047 0.000 1.049 738 V CA 2.106 64.447 62.300 0.068 0.000 1.024 738 V CB -1.429 30.419 31.823 0.042 0.000 0.648 738 V HN 0.594 nan 8.190 nan 0.000 0.447 739 G N -0.375 108.442 108.800 0.029 0.000 2.459 739 G HA2 -0.255 3.709 3.960 0.006 0.000 0.217 739 G HA3 -0.255 3.709 3.960 0.006 0.000 0.217 739 G C 1.852 176.729 174.900 -0.037 0.000 1.183 739 G CA 1.227 46.324 45.100 -0.005 0.000 0.776 739 G HN 0.502 nan 8.290 nan 0.000 0.552 740 S N 0.992 116.654 115.700 -0.063 0.000 2.383 740 S HA -0.026 4.448 4.470 0.006 0.000 0.229 740 S C 2.750 177.253 174.600 -0.162 0.000 1.030 740 S CA 1.218 59.290 58.200 -0.214 0.000 1.002 740 S CB -0.346 62.576 63.200 -0.463 0.000 0.829 740 S HN 0.613 nan 8.310 nan 0.000 0.467 741 A N 1.838 124.675 122.820 0.028 0.000 1.877 741 A HA -0.079 4.245 4.320 0.006 0.000 0.216 741 A C 2.065 179.656 177.584 0.013 0.000 1.186 741 A CA 1.452 53.539 52.037 0.083 0.000 0.620 741 A CB -0.526 18.557 19.000 0.138 0.000 0.822 741 A HN 0.367 nan 8.150 nan 0.000 0.443 742 M N -0.206 119.395 119.600 0.001 0.000 2.213 742 M HA -0.050 4.434 4.480 0.006 0.000 0.263 742 M C 2.232 178.514 176.300 -0.030 0.000 1.062 742 M CA 1.261 56.555 55.300 -0.010 0.000 1.105 742 M CB -1.584 31.011 32.600 -0.008 0.000 1.385 742 M HN 0.476 nan 8.290 nan 0.000 0.417 743 A N -0.616 122.171 122.820 -0.056 0.000 2.206 743 A HA 0.389 4.713 4.320 0.006 0.000 0.211 743 A C 1.562 179.097 177.584 -0.082 0.000 1.158 743 A CA 0.865 52.858 52.037 -0.073 0.000 0.761 743 A CB -0.813 18.127 19.000 -0.100 0.000 0.801 743 A HN 0.643 nan 8.150 nan 0.000 0.473 744 G N -0.177 108.577 108.800 -0.076 0.000 2.256 744 G HA2 -0.172 3.791 3.960 0.006 0.000 0.272 744 G HA3 -0.172 3.791 3.960 0.006 0.000 0.272 744 G C 0.191 175.018 174.900 -0.121 0.000 1.076 744 G CA 0.557 45.614 45.100 -0.071 0.000 0.882 744 G HN 1.057 nan 8.290 nan 0.000 0.497 745 S N -0.517 115.060 115.700 -0.206 0.000 2.562 745 S HA 0.714 5.187 4.470 0.006 0.000 0.275 745 S C 0.526 174.925 174.600 -0.335 0.000 1.281 745 S CA -0.752 57.247 58.200 -0.335 0.000 1.045 745 S CB 0.364 63.227 63.200 -0.561 0.000 0.962 745 S HN 0.410 nan 8.310 nan 0.000 0.503 746 I N 4.221 124.593 120.570 -0.331 0.000 2.382 746 I HA 0.367 4.540 4.170 0.006 0.000 0.285 746 I C 1.258 177.001 176.117 -0.623 0.000 1.007 746 I CA 0.111 61.200 61.300 -0.352 0.000 1.142 746 I CB 0.283 38.155 38.000 -0.213 0.000 1.289 746 I HN 1.030 nan 8.210 nan 0.000 0.453 747 G N 4.818 112.970 108.800 -1.080 0.000 2.179 747 G HA2 -0.218 3.745 3.960 0.006 0.000 0.260 747 G HA3 -0.218 3.745 3.960 0.006 0.000 0.260 747 G C 0.763 175.227 174.900 -0.728 0.000 0.977 747 G CA 0.096 44.270 45.100 -1.545 0.000 0.641 747 G HN 0.921 nan 8.290 nan 0.000 0.533 748 G N -0.271 108.136 108.800 -0.657 0.000 4.420 748 G HA2 0.495 4.459 3.960 0.006 0.000 0.299 748 G HA3 0.495 4.459 3.960 0.006 0.000 0.299 748 G C -0.029 174.577 174.900 -0.490 0.000 1.343 748 G CA -0.513 44.317 45.100 -0.450 0.000 1.272 748 G HN 0.375 nan 8.290 nan 0.000 0.610 749 Y N 1.574 121.787 120.300 -0.146 0.000 2.880 749 Y HA 0.257 4.810 4.550 0.005 0.000 0.386 749 Y C 0.675 176.579 175.900 0.006 0.000 1.172 749 Y CA -0.912 57.160 58.100 -0.047 0.000 1.770 749 Y CB -0.231 38.231 38.460 0.003 0.000 1.809 749 Y HN 0.594 nan 8.280 nan 0.000 0.472 750 N N -1.910 116.821 118.700 0.053 0.000 2.934 750 N HA 0.653 5.396 4.740 0.006 0.000 0.253 750 N C 0.085 175.618 175.510 0.039 0.000 1.466 750 N CA -0.533 52.556 53.050 0.065 0.000 0.858 750 N CB 0.820 39.346 38.487 0.065 0.000 1.459 750 N HN -0.050 nan 8.380 nan 0.000 0.532 751 A N -0.483 122.383 122.820 0.076 0.000 1.887 751 A HA 0.094 4.418 4.320 0.006 0.000 0.212 751 A C 0.728 178.402 177.584 0.151 0.000 1.198 751 A CA 1.604 53.685 52.037 0.075 0.000 0.628 751 A CB -0.922 18.110 19.000 0.053 0.000 0.847 751 A HN 0.999 nan 8.150 nan 0.000 0.449 752 H N -5.071 113.983 119.070 -0.027 0.000 3.510 752 H HA 0.613 5.173 4.556 0.006 0.000 0.209 752 H C 0.686 175.993 175.328 -0.035 0.000 1.326 752 H CA 0.090 56.118 56.048 -0.034 0.000 1.236 752 H CB -0.267 29.477 29.762 -0.030 0.000 2.594 752 H HN 0.212 nan 8.280 nan 0.000 0.527 753 A N 1.276 124.042 122.820 -0.090 0.000 1.940 753 A HA -0.103 4.221 4.320 0.006 0.000 0.219 753 A C 2.591 180.068 177.584 -0.178 0.000 1.176 753 A CA 1.953 53.900 52.037 -0.151 0.000 0.631 753 A CB -0.913 18.047 19.000 -0.066 0.000 0.814 753 A HN 0.780 nan 8.150 nan 0.000 0.446 754 A N 0.185 122.927 122.820 -0.129 0.000 1.948 754 A HA -0.253 4.071 4.320 0.006 0.000 0.220 754 A C 1.950 179.447 177.584 -0.144 0.000 1.177 754 A CA 1.969 53.926 52.037 -0.134 0.000 0.636 754 A CB -0.667 18.279 19.000 -0.090 0.000 0.815 754 A HN 0.564 nan 8.150 nan 0.000 0.449 755 N N -0.149 118.463 118.700 -0.147 0.000 2.084 755 N HA -0.131 4.613 4.740 0.006 0.000 0.190 755 N C 1.498 176.917 175.510 -0.153 0.000 1.030 755 N CA 1.699 54.675 53.050 -0.124 0.000 0.849 755 N CB -0.440 37.999 38.487 -0.080 0.000 1.012 755 N HN 0.447 nan 8.380 nan 0.000 0.423 756 I N 0.350 120.780 120.570 -0.232 0.000 2.233 756 I HA -0.152 4.022 4.170 0.006 0.000 0.243 756 I C 2.265 178.305 176.117 -0.128 0.000 1.093 756 I CA 0.542 61.743 61.300 -0.165 0.000 1.380 756 I CB -0.631 37.259 38.000 -0.183 0.000 1.067 756 I HN -0.126 nan 8.210 nan 0.000 0.413 757 V N 0.315 120.116 119.914 -0.188 0.000 2.282 757 V HA -0.350 3.774 4.120 0.006 0.000 0.249 757 V C 2.481 178.386 176.094 -0.315 0.000 1.057 757 V CA 2.582 64.703 62.300 -0.298 0.000 1.032 757 V CB -1.196 30.364 31.823 -0.437 0.000 0.645 757 V HN 0.481 nan 8.190 nan 0.000 0.447 758 T N 0.236 114.657 114.554 -0.222 0.000 2.708 758 T HA -0.156 4.198 4.350 0.006 0.000 0.266 758 T C 2.069 176.770 174.700 0.002 0.000 1.037 758 T CA 1.640 63.672 62.100 -0.113 0.000 1.146 758 T CB -0.487 68.332 68.868 -0.081 0.000 0.865 758 T HN 0.583 nan 8.240 nan 0.000 0.435 759 A N 1.119 123.934 122.820 -0.009 0.000 1.908 759 A HA -0.041 4.283 4.320 0.006 0.000 0.218 759 A C 2.299 179.916 177.584 0.057 0.000 1.181 759 A CA 1.336 53.386 52.037 0.021 0.000 0.627 759 A CB -0.801 18.201 19.000 0.003 0.000 0.818 759 A HN 0.537 nan 8.150 nan 0.000 0.445 760 I N -2.150 118.465 120.570 0.074 0.000 2.252 760 I HA -0.222 3.952 4.170 0.006 0.000 0.245 760 I C 2.352 178.581 176.117 0.187 0.000 1.102 760 I CA 1.082 62.450 61.300 0.113 0.000 1.385 760 I CB -0.417 37.652 38.000 0.116 0.000 1.064 760 I HN 0.317 nan 8.210 nan 0.000 0.414 761 Y N 0.963 121.251 120.300 -0.020 0.000 2.128 761 Y HA -0.213 4.340 4.550 0.006 0.000 0.284 761 Y C 2.444 178.341 175.900 -0.006 0.000 1.154 761 Y CA 1.234 59.325 58.100 -0.014 0.000 1.149 761 Y CB -0.671 37.782 38.460 -0.012 0.000 0.976 761 Y HN 0.088 nan 8.280 nan 0.000 0.505 762 I N -0.822 119.843 120.570 0.158 0.000 2.252 762 I HA -0.301 3.873 4.170 0.006 0.000 0.245 762 I C 2.524 178.673 176.117 0.054 0.000 1.102 762 I CA 1.198 62.550 61.300 0.087 0.000 1.385 762 I CB -0.591 37.451 38.000 0.070 0.000 1.064 762 I HN 0.130 nan 8.210 nan 0.000 0.414 763 A N -0.445 122.406 122.820 0.052 0.000 1.969 763 A HA -0.191 4.132 4.320 0.006 0.000 0.218 763 A C 2.043 179.635 177.584 0.013 0.000 1.169 763 A CA 1.448 53.504 52.037 0.031 0.000 0.635 763 A CB -0.880 18.140 19.000 0.032 0.000 0.810 763 A HN 0.578 nan 8.150 nan 0.000 0.445 764 C N -0.735 118.566 119.300 0.001 0.000 2.614 764 C HA 0.502 4.966 4.460 0.006 0.000 0.299 764 C C 1.760 176.715 174.990 -0.058 0.000 1.293 764 C CA -0.199 58.798 59.018 -0.034 0.000 1.713 764 C CB -1.226 26.480 27.740 -0.056 0.000 1.890 764 C HN 1.034 nan 8.230 nan 0.000 0.602 765 G N 1.322 110.101 108.800 -0.035 0.000 2.179 765 G HA2 -0.196 3.768 3.960 0.006 0.000 0.257 765 G HA3 -0.196 3.768 3.960 0.006 0.000 0.257 765 G C 0.047 174.902 174.900 -0.076 0.000 1.010 765 G CA 0.128 45.205 45.100 -0.039 0.000 0.736 765 G HN 0.532 nan 8.290 nan 0.000 0.513 766 Q N 0.013 119.736 119.800 -0.129 0.000 2.316 766 Q HA 0.355 4.699 4.340 0.006 0.000 0.215 766 Q C 0.009 175.970 176.000 -0.065 0.000 1.020 766 Q CA -0.562 55.105 55.803 -0.227 0.000 0.970 766 Q CB 0.548 28.874 28.738 -0.687 0.000 1.187 766 Q HN 0.336 nan 8.270 nan 0.000 0.546 767 D N 0.023 120.404 120.400 -0.032 0.000 2.352 767 D HA 0.219 4.862 4.640 0.006 0.000 0.245 767 D C 0.325 176.736 176.300 0.184 0.000 1.224 767 D CA -0.061 53.977 54.000 0.064 0.000 0.879 767 D CB 0.935 41.768 40.800 0.054 0.000 1.057 767 D HN 0.517 nan 8.370 nan 0.000 0.491 768 A N 3.917 126.835 122.820 0.165 0.000 2.070 768 A HA -0.038 4.286 4.320 0.006 0.000 0.220 768 A C 2.051 179.701 177.584 0.109 0.000 1.159 768 A CA 1.490 53.634 52.037 0.179 0.000 0.656 768 A CB -0.257 18.810 19.000 0.111 0.000 0.800 768 A HN 0.627 nan 8.150 nan 0.000 0.453 769 A N -0.728 122.145 122.820 0.089 0.000 2.067 769 A HA -0.154 4.170 4.320 0.006 0.000 0.219 769 A C 1.901 179.521 177.584 0.061 0.000 1.158 769 A CA 1.313 53.385 52.037 0.058 0.000 0.661 769 A CB -0.421 18.609 19.000 0.051 0.000 0.801 769 A HN 0.644 nan 8.150 nan 0.000 0.452 770 Q N -0.598 119.268 119.800 0.110 0.000 2.515 770 Q HA -0.091 4.253 4.340 0.006 0.000 0.212 770 Q C 1.427 177.458 176.000 0.052 0.000 0.970 770 Q CA 0.491 56.365 55.803 0.119 0.000 0.941 770 Q CB -0.221 28.632 28.738 0.191 0.000 0.998 770 Q HN 0.740 nan 8.270 nan 0.000 0.518 771 N N -0.083 118.597 118.700 -0.032 0.000 2.364 771 N HA -0.137 4.606 4.740 0.006 0.000 0.183 771 N C 1.336 176.790 175.510 -0.093 0.000 1.022 771 N CA 0.751 53.701 53.050 -0.167 0.000 0.883 771 N CB 0.093 38.485 38.487 -0.158 0.000 0.965 771 N HN 0.008 nan 8.380 nan 0.000 0.438 772 V N -0.300 119.592 119.914 -0.038 0.000 2.231 772 V HA -0.184 3.939 4.120 0.006 0.000 0.248 772 V C 2.268 178.350 176.094 -0.020 0.000 1.054 772 V CA 2.219 64.503 62.300 -0.027 0.000 1.015 772 V CB -1.197 30.622 31.823 -0.007 0.000 0.638 772 V HN 0.552 nan 8.190 nan 0.000 0.444 773 G N -1.742 107.062 108.800 0.006 0.000 2.492 773 G HA2 -0.113 3.851 3.960 0.006 0.000 0.214 773 G HA3 -0.113 3.851 3.960 0.006 0.000 0.214 773 G C 1.754 176.675 174.900 0.034 0.000 1.147 773 G CA 0.755 45.872 45.100 0.029 0.000 0.809 773 G HN 0.470 nan 8.290 nan 0.000 0.533 774 S N 1.080 116.789 115.700 0.015 0.000 2.419 774 S HA -0.095 4.379 4.470 0.006 0.000 0.235 774 S C 2.469 177.042 174.600 -0.044 0.000 1.019 774 S CA 1.240 59.441 58.200 0.003 0.000 0.982 774 S CB -0.129 63.057 63.200 -0.023 0.000 0.789 774 S HN 0.305 nan 8.310 nan 0.000 0.490 775 S N 1.587 117.242 115.700 -0.075 0.000 2.561 775 S HA 0.104 4.578 4.470 0.006 0.000 0.225 775 S C 0.468 175.066 174.600 -0.003 0.000 0.977 775 S CA -0.100 58.056 58.200 -0.073 0.000 0.926 775 S CB -0.231 62.911 63.200 -0.097 0.000 0.769 775 S HN 0.457 nan 8.310 nan 0.000 0.533 776 N N 1.578 120.313 118.700 0.058 0.000 2.357 776 N HA 0.101 4.844 4.740 0.006 0.000 0.257 776 N C -0.491 175.176 175.510 0.261 0.000 1.250 776 N CA 0.397 53.541 53.050 0.157 0.000 0.862 776 N CB 0.492 39.179 38.487 0.333 0.000 1.066 776 N HN 0.248 nan 8.380 nan 0.000 0.468 777 C N 3.492 122.968 119.300 0.293 0.000 3.113 777 C HA 0.533 4.996 4.460 0.006 0.000 0.376 777 C C -0.956 174.250 174.990 0.361 0.000 1.077 777 C CA -0.977 58.223 59.018 0.304 0.000 1.253 777 C CB 0.389 28.208 27.740 0.131 0.000 1.637 777 C HN 0.768 nan 8.230 nan 0.000 0.535 778 I N 5.103 125.910 120.570 0.394 0.000 2.382 778 I HA 0.483 4.657 4.170 0.006 0.000 0.286 778 I C -0.054 176.170 176.117 0.179 0.000 1.002 778 I CA 0.376 61.883 61.300 0.346 0.000 1.135 778 I CB 1.601 39.837 38.000 0.394 0.000 1.288 778 I HN 0.766 nan 8.210 nan 0.000 0.448 779 T N 8.323 122.965 114.554 0.147 0.000 2.744 779 T HA 0.518 4.872 4.350 0.006 0.000 0.291 779 T C -0.277 174.467 174.700 0.073 0.000 0.957 779 T CA -0.264 61.887 62.100 0.085 0.000 1.002 779 T CB 0.564 69.476 68.868 0.073 0.000 0.919 779 T HN 0.359 nan 8.240 nan 0.000 0.468 780 L N 3.975 125.226 121.223 0.046 0.000 2.362 780 L HA 0.673 5.017 4.340 0.006 0.000 0.271 780 L C -0.374 176.517 176.870 0.035 0.000 1.002 780 L CA -0.822 54.052 54.840 0.057 0.000 0.818 780 L CB 1.997 44.108 42.059 0.086 0.000 1.298 780 L HN 0.445 nan 8.230 nan 0.000 0.420 781 M N 3.290 122.928 119.600 0.064 0.000 2.393 781 M HA 0.435 4.918 4.480 0.006 0.000 0.299 781 M C -1.089 175.281 176.300 0.117 0.000 1.103 781 M CA -0.416 54.924 55.300 0.066 0.000 0.910 781 M CB 2.922 35.544 32.600 0.035 0.000 1.659 781 M HN 0.633 nan 8.290 nan 0.000 0.445 782 E N 1.881 122.186 120.200 0.176 0.000 2.412 782 E HA 0.778 5.132 4.350 0.006 0.000 0.279 782 E C -1.520 175.158 176.600 0.131 0.000 0.984 782 E CA -1.212 55.275 56.400 0.144 0.000 0.788 782 E CB 1.707 31.487 29.700 0.134 0.000 1.277 782 E HN 0.683 nan 8.360 nan 0.000 0.455 783 A N 1.359 124.224 122.820 0.076 0.000 2.477 783 A HA 0.463 4.787 4.320 0.006 0.000 0.246 783 A C -0.051 177.565 177.584 0.053 0.000 1.078 783 A CA 0.233 52.304 52.037 0.058 0.000 0.770 783 A CB 0.671 19.691 19.000 0.034 0.000 1.011 783 A HN 0.488 nan 8.150 nan 0.000 0.494 784 S N 0.758 116.493 115.700 0.059 0.000 2.661 784 S HA 0.853 5.326 4.470 0.006 0.000 0.285 784 S C 0.011 174.630 174.600 0.032 0.000 1.138 784 S CA 0.687 58.913 58.200 0.043 0.000 0.855 784 S CB 1.252 64.508 63.200 0.092 0.000 1.136 784 S HN 2.754 nan 8.310 nan 0.000 0.484 785 G N 2.421 111.232 108.800 0.019 0.000 2.710 785 G HA2 -0.101 3.863 3.960 0.006 0.000 0.668 785 G HA3 -0.101 3.863 3.960 0.006 0.000 0.668 785 G C -2.364 172.541 174.900 0.008 0.000 1.320 785 G CA -0.217 44.892 45.100 0.016 0.000 0.860 785 G HN 0.607 nan 8.290 nan 0.000 0.538 786 P HA -0.017 nan 4.420 nan 0.000 0.214 786 P C 2.032 179.335 177.300 0.004 0.000 1.163 786 P CA 2.972 66.075 63.100 0.004 0.000 0.883 786 P CB -0.091 31.612 31.700 0.005 0.000 0.788 787 T N -5.740 108.818 114.554 0.007 0.000 3.086 787 T HA 0.154 4.507 4.350 0.006 0.000 0.250 787 T C 0.635 175.340 174.700 0.009 0.000 1.074 787 T CA -0.179 61.925 62.100 0.007 0.000 0.988 787 T CB -1.190 67.683 68.868 0.008 0.000 0.988 787 T HN 0.128 nan 8.240 nan 0.000 0.530 788 N N 1.076 119.783 118.700 0.011 0.000 2.754 788 N HA -0.164 4.579 4.740 0.006 0.000 0.248 788 N C 0.087 175.608 175.510 0.019 0.000 1.093 788 N CA 0.796 53.854 53.050 0.014 0.000 0.699 788 N CB -0.549 37.944 38.487 0.010 0.000 1.016 788 N HN 0.676 nan 8.380 nan 0.000 0.552 789 E N -0.584 119.628 120.200 0.020 0.000 2.539 789 E HA 0.062 4.416 4.350 0.006 0.000 0.215 789 E C -0.655 175.962 176.600 0.027 0.000 0.965 789 E CA -0.184 56.229 56.400 0.021 0.000 1.019 789 E CB 0.463 30.172 29.700 0.016 0.000 1.059 789 E HN 0.293 nan 8.360 nan 0.000 0.496 790 D N 1.204 121.625 120.400 0.034 0.000 2.264 790 D HA 0.146 4.790 4.640 0.006 0.000 0.249 790 D C -0.460 175.876 176.300 0.060 0.000 1.070 790 D CA -0.402 53.624 54.000 0.043 0.000 0.912 790 D CB 1.836 42.663 40.800 0.046 0.000 1.193 790 D HN -0.038 nan 8.370 nan 0.000 0.427 791 L N 3.281 124.539 121.223 0.058 0.000 2.255 791 L HA 0.206 4.550 4.340 0.006 0.000 0.289 791 L C -1.161 175.762 176.870 0.087 0.000 1.046 791 L CA -0.598 54.281 54.840 0.064 0.000 0.816 791 L CB 0.209 42.286 42.059 0.030 0.000 1.197 791 L HN 0.232 nan 8.230 nan 0.000 0.427 792 Y N 6.228 126.535 120.300 0.012 0.000 2.313 792 Y HA 0.584 5.138 4.550 0.006 0.000 0.332 792 Y C -0.734 175.175 175.900 0.016 0.000 1.071 792 Y CA -0.525 57.582 58.100 0.012 0.000 1.169 792 Y CB 0.932 39.397 38.460 0.009 0.000 1.192 792 Y HN 0.644 nan 8.280 nan 0.000 0.487 793 I N 6.147 126.274 120.570 -0.738 0.000 2.619 793 I HA 0.543 4.717 4.170 0.006 0.000 0.292 793 I C -1.449 174.278 176.117 -0.650 0.000 1.100 793 I CA -0.339 60.650 61.300 -0.518 0.000 1.043 793 I CB 1.597 39.466 38.000 -0.219 0.000 1.239 793 I HN 0.775 nan 8.210 nan 0.000 0.420 794 S N 5.817 121.288 115.700 -0.382 0.000 2.549 794 S HA 0.715 5.188 4.470 0.006 0.000 0.280 794 S C -1.261 173.298 174.600 -0.068 0.000 1.109 794 S CA -0.649 57.426 58.200 -0.207 0.000 0.905 794 S CB 1.673 64.819 63.200 -0.090 0.000 1.081 794 S HN 0.673 nan 8.310 nan 0.000 0.477 795 C N 2.140 121.419 119.300 -0.034 0.000 2.431 795 C HA 0.818 5.282 4.460 0.006 0.000 0.321 795 C C -0.226 174.773 174.990 0.014 0.000 1.202 795 C CA -0.363 58.659 59.018 0.007 0.000 1.398 795 C CB 1.212 28.954 27.740 0.003 0.000 2.047 795 C HN 0.975 nan 8.230 nan 0.000 0.465 796 T N 4.826 119.402 114.554 0.037 0.000 2.815 796 T HA 0.528 4.881 4.350 0.006 0.000 0.289 796 T C -0.434 174.288 174.700 0.036 0.000 1.000 796 T CA -0.227 61.878 62.100 0.008 0.000 0.958 796 T CB 0.767 69.617 68.868 -0.031 0.000 0.944 796 T HN 0.560 nan 8.240 nan 0.000 0.442 797 M N 4.668 124.278 119.600 0.017 0.000 2.006 797 M HA 0.287 4.771 4.480 0.006 0.000 0.314 797 M C -2.112 174.190 176.300 0.005 0.000 0.926 797 M CA -2.172 53.159 55.300 0.052 0.000 0.906 797 M CB 2.322 34.950 32.600 0.048 0.000 1.422 797 M HN 0.221 nan 8.290 nan 0.000 0.397 798 P HA -0.037 nan 4.420 nan 0.000 0.229 798 P C 0.114 177.408 177.300 -0.010 0.000 1.160 798 P CA 0.790 63.842 63.100 -0.080 0.000 0.777 798 P CB 0.283 31.852 31.700 -0.219 0.000 0.814 799 S N -1.341 114.389 115.700 0.050 0.000 2.407 799 S HA 0.357 4.831 4.470 0.006 0.000 0.166 799 S C -0.233 174.410 174.600 0.072 0.000 1.445 799 S CA -0.632 57.603 58.200 0.058 0.000 1.260 799 S CB -1.088 62.159 63.200 0.079 0.000 1.401 799 S HN -0.093 nan 8.310 nan 0.000 0.379 800 I N 2.256 122.868 120.570 0.069 0.000 2.363 800 I HA 0.205 4.379 4.170 0.006 0.000 0.292 800 I C 0.054 176.240 176.117 0.115 0.000 1.075 800 I CA -0.074 61.291 61.300 0.108 0.000 1.333 800 I CB 0.567 38.623 38.000 0.093 0.000 1.415 800 I HN 0.429 nan 8.210 nan 0.000 0.502 801 E N 7.391 127.689 120.200 0.163 0.000 2.081 801 E HA 0.598 4.952 4.350 0.006 0.000 0.281 801 E C -0.684 175.957 176.600 0.069 0.000 0.986 801 E CA -0.114 56.353 56.400 0.112 0.000 0.796 801 E CB 1.688 31.458 29.700 0.117 0.000 1.085 801 E HN 0.475 nan 8.360 nan 0.000 0.398 802 I N 1.514 122.073 120.570 -0.018 0.000 3.102 802 I HA 0.713 4.886 4.170 0.006 0.000 0.310 802 I C -0.785 175.264 176.117 -0.113 0.000 1.246 802 I CA -0.587 60.632 61.300 -0.134 0.000 0.979 802 I CB 2.268 40.196 38.000 -0.121 0.000 1.267 802 I HN 0.581 nan 8.210 nan 0.000 0.451 803 G N 0.376 109.084 108.800 -0.153 0.000 2.673 803 G HA2 0.442 4.406 3.960 0.006 0.000 0.292 803 G HA3 0.442 4.406 3.960 0.006 0.000 0.292 803 G C -0.425 174.401 174.900 -0.124 0.000 1.450 803 G CA 0.255 45.283 45.100 -0.119 0.000 0.837 803 G HN 0.603 nan 8.290 nan 0.000 0.505 804 T N -2.776 111.715 114.554 -0.105 0.000 3.040 804 T HA 0.439 4.793 4.350 0.006 0.000 0.266 804 T C 0.515 175.164 174.700 -0.084 0.000 1.005 804 T CA 0.684 62.730 62.100 -0.091 0.000 0.906 804 T CB -0.130 68.692 68.868 -0.077 0.000 1.082 804 T HN 1.574 nan 8.240 nan 0.000 0.531 805 V N -2.071 117.787 119.914 -0.093 0.000 2.876 805 V HA 0.946 5.070 4.120 0.006 0.000 0.312 805 V C 0.249 176.298 176.094 -0.074 0.000 1.085 805 V CA -0.339 61.910 62.300 -0.084 0.000 0.945 805 V CB 0.804 32.564 31.823 -0.106 0.000 1.017 805 V HN 0.920 nan 8.190 nan 0.000 0.428 806 G N 0.995 109.763 108.800 -0.054 0.000 2.733 806 G HA2 0.456 4.420 3.960 0.006 0.000 0.686 806 G HA3 0.456 4.420 3.960 0.006 0.000 0.686 806 G C 0.728 175.607 174.900 -0.035 0.000 1.373 806 G CA 0.147 45.224 45.100 -0.040 0.000 0.838 806 G HN 3.081 nan 8.290 nan 0.000 0.588 807 G N -0.085 108.703 108.800 -0.019 0.000 2.550 807 G HA2 0.189 4.153 3.960 0.006 0.000 0.277 807 G HA3 0.189 4.153 3.960 0.006 0.000 0.277 807 G C 1.929 176.822 174.900 -0.011 0.000 1.190 807 G CA 1.797 46.890 45.100 -0.012 0.000 0.971 807 G HN 2.514 nan 8.290 nan 0.000 0.559 808 G N -0.556 108.237 108.800 -0.012 0.000 2.509 808 G HA2 0.171 4.135 3.960 0.006 0.000 0.218 808 G HA3 0.171 4.135 3.960 0.006 0.000 0.218 808 G C 1.848 176.735 174.900 -0.021 0.000 1.124 808 G CA 2.318 47.414 45.100 -0.006 0.000 0.776 808 G HN 1.974 nan 8.290 nan 0.000 0.547 809 T N -1.943 112.588 114.554 -0.038 0.000 3.118 809 T HA 0.018 4.372 4.350 0.006 0.000 0.260 809 T C 1.810 176.486 174.700 -0.040 0.000 1.139 809 T CA 0.699 62.771 62.100 -0.046 0.000 1.085 809 T CB -0.163 68.667 68.868 -0.062 0.000 0.934 809 T HN 0.096 nan 8.240 nan 0.000 0.518 810 N N 0.840 119.520 118.700 -0.033 0.000 2.467 810 N HA 0.229 4.973 4.740 0.006 0.000 0.184 810 N C 0.224 175.710 175.510 -0.041 0.000 1.106 810 N CA 0.159 53.189 53.050 -0.034 0.000 0.892 810 N CB -0.116 38.356 38.487 -0.024 0.000 0.969 810 N HN 0.520 nan 8.380 nan 0.000 0.454 811 L N 0.783 121.984 121.223 -0.037 0.000 2.350 811 L HA 0.241 4.585 4.340 0.006 0.000 0.275 811 L C 1.747 178.577 176.870 -0.067 0.000 1.099 811 L CA -0.487 54.322 54.840 -0.053 0.000 0.808 811 L CB 1.252 43.304 42.059 -0.013 0.000 1.149 811 L HN -0.101 nan 8.230 nan 0.000 0.442 812 L N 2.193 123.352 121.223 -0.107 0.000 1.989 812 L HA -0.131 4.213 4.340 0.006 0.000 0.211 812 L C -0.389 176.436 176.870 -0.074 0.000 1.071 812 L CA 1.531 56.311 54.840 -0.100 0.000 0.749 812 L CB -1.546 40.431 42.059 -0.135 0.000 0.890 812 L HN 0.585 nan 8.230 nan 0.000 0.431 813 P HA -0.190 nan 4.420 nan 0.000 0.215 813 P C 1.418 178.704 177.300 -0.024 0.000 1.153 813 P CA 1.169 64.244 63.100 -0.041 0.000 0.853 813 P CB -0.097 31.590 31.700 -0.022 0.000 0.788 814 Q N -0.303 119.486 119.800 -0.019 0.000 2.230 814 Q HA -0.141 4.202 4.340 0.006 0.000 0.202 814 Q C 1.987 177.972 176.000 -0.025 0.000 0.963 814 Q CA 1.275 57.068 55.803 -0.017 0.000 0.866 814 Q CB -1.095 27.634 28.738 -0.015 0.000 0.931 814 Q HN 0.470 nan 8.270 nan 0.000 0.452 815 Q N 0.582 120.363 119.800 -0.033 0.000 2.167 815 Q HA -0.009 4.335 4.340 0.006 0.000 0.202 815 Q C 2.081 178.066 176.000 -0.025 0.000 0.970 815 Q CA 1.226 57.009 55.803 -0.033 0.000 0.855 815 Q CB -0.134 28.580 28.738 -0.040 0.000 0.911 815 Q HN 0.494 nan 8.270 nan 0.000 0.438 816 A N 0.217 123.022 122.820 -0.024 0.000 1.898 816 A HA -0.182 4.142 4.320 0.006 0.000 0.216 816 A C 2.285 179.866 177.584 -0.006 0.000 1.181 816 A CA 1.192 53.219 52.037 -0.017 0.000 0.620 816 A CB -0.836 18.153 19.000 -0.019 0.000 0.819 816 A HN 0.465 nan 8.150 nan 0.000 0.442 817 C N -0.853 118.444 119.300 -0.005 0.000 2.440 817 C HA 0.009 4.473 4.460 0.006 0.000 0.278 817 C C 2.632 177.623 174.990 0.003 0.000 1.295 817 C CA 0.885 59.905 59.018 0.003 0.000 1.738 817 C CB -1.462 26.280 27.740 0.004 0.000 1.987 817 C HN 0.620 nan 8.230 nan 0.000 0.492 818 L N 0.148 121.366 121.223 -0.009 0.000 2.093 818 L HA -0.207 4.137 4.340 0.006 0.000 0.208 818 L C 2.761 179.635 176.870 0.005 0.000 1.085 818 L CA 1.479 56.312 54.840 -0.012 0.000 0.755 818 L CB -0.675 41.367 42.059 -0.028 0.000 0.904 818 L HN 0.441 nan 8.230 nan 0.000 0.435 819 Q N -0.687 119.115 119.800 0.004 0.000 2.119 819 Q HA -0.245 4.099 4.340 0.006 0.000 0.201 819 Q C 2.284 178.300 176.000 0.027 0.000 0.972 819 Q CA 1.520 57.329 55.803 0.011 0.000 0.847 819 Q CB -0.153 28.585 28.738 0.000 0.000 0.903 819 Q HN 0.477 nan 8.270 nan 0.000 0.433 820 M N 0.262 119.878 119.600 0.028 0.000 2.195 820 M HA -0.191 4.293 4.480 0.006 0.000 0.260 820 M C 1.311 177.660 176.300 0.081 0.000 1.066 820 M CA 1.440 56.765 55.300 0.042 0.000 1.089 820 M CB 0.177 32.798 32.600 0.036 0.000 1.377 820 M HN 0.204 nan 8.290 nan 0.000 0.411 821 L N -1.120 120.159 121.223 0.094 0.000 2.585 821 L HA 0.241 4.584 4.340 0.006 0.000 0.226 821 L C 1.235 178.224 176.870 0.197 0.000 1.113 821 L CA 0.359 55.306 54.840 0.178 0.000 0.876 821 L CB -0.081 42.028 42.059 0.084 0.000 1.072 821 L HN 0.596 nan 8.230 nan 0.000 0.468 822 G N 1.027 109.890 108.800 0.105 0.000 2.160 822 G HA2 -0.252 3.711 3.960 0.006 0.000 0.244 822 G HA3 -0.252 3.711 3.960 0.006 0.000 0.244 822 G C 0.529 175.471 174.900 0.069 0.000 1.022 822 G CA 0.380 45.531 45.100 0.084 0.000 0.741 822 G HN 0.363 nan 8.290 nan 0.000 0.508 823 V N -3.351 116.587 119.914 0.041 0.000 3.078 823 V HA 0.500 4.624 4.120 0.006 0.000 0.344 823 V C 0.605 176.691 176.094 -0.012 0.000 1.409 823 V CA 0.237 62.544 62.300 0.012 0.000 1.146 823 V CB 0.854 32.672 31.823 -0.008 0.000 1.126 823 V HN 0.418 nan 8.190 nan 0.000 0.513 824 Q N 1.857 121.651 119.800 -0.009 0.000 2.352 824 Q HA 0.475 4.819 4.340 0.006 0.000 0.260 824 Q C 0.844 176.827 176.000 -0.027 0.000 0.976 824 Q CA 1.731 57.520 55.803 -0.022 0.000 0.881 824 Q CB 1.172 29.899 28.738 -0.018 0.000 1.235 824 Q HN 1.134 nan 8.270 nan 0.000 0.419 825 G N 2.332 111.108 108.800 -0.039 0.000 2.697 825 G HA2 -0.216 3.748 3.960 0.006 0.000 0.240 825 G HA3 -0.216 3.748 3.960 0.006 0.000 0.240 825 G C -0.518 174.351 174.900 -0.052 0.000 1.346 825 G CA -0.207 44.867 45.100 -0.044 0.000 0.887 825 G HN 1.020 nan 8.290 nan 0.000 0.569 826 A N -1.322 121.467 122.820 -0.052 0.000 2.351 826 A HA 0.514 4.837 4.320 0.006 0.000 0.257 826 A C 0.826 178.394 177.584 -0.027 0.000 1.087 826 A CA 0.757 52.757 52.037 -0.061 0.000 0.798 826 A CB 0.814 19.779 19.000 -0.058 0.000 1.033 826 A HN 2.266 nan 8.150 nan 0.000 0.488 827 C N 3.450 122.735 119.300 -0.023 0.000 2.168 827 C HA 0.373 4.837 4.460 0.006 0.000 0.333 827 C C 1.479 176.484 174.990 0.025 0.000 1.106 827 C CA -0.759 58.260 59.018 0.003 0.000 1.574 827 C CB -1.800 25.943 27.740 0.004 0.000 2.055 827 C HN 0.999 nan 8.230 nan 0.000 0.473 828 K N 1.930 122.349 120.400 0.032 0.000 2.044 828 K HA -0.163 4.160 4.320 0.006 0.000 0.210 828 K C 1.325 177.960 176.600 0.058 0.000 1.049 828 K CA 2.177 58.495 56.287 0.053 0.000 0.927 828 K CB 0.038 32.562 32.500 0.041 0.000 0.713 828 K HN 0.667 nan 8.250 nan 0.000 0.443 829 D N 0.401 120.826 120.400 0.042 0.000 2.084 829 D HA -0.112 4.532 4.640 0.006 0.000 0.194 829 D C 0.469 176.799 176.300 0.048 0.000 0.990 829 D CA 1.179 55.203 54.000 0.040 0.000 0.826 829 D CB -0.096 40.721 40.800 0.030 0.000 0.971 829 D HN 0.047 nan 8.370 nan 0.000 0.453 830 N N -0.386 118.342 118.700 0.047 0.000 2.664 830 N HA 0.242 4.985 4.740 0.006 0.000 0.257 830 N C -2.934 172.607 175.510 0.052 0.000 1.108 830 N CA -1.875 51.206 53.050 0.052 0.000 0.822 830 N CB 1.339 39.850 38.487 0.039 0.000 1.199 830 N HN -0.266 nan 8.380 nan 0.000 0.529 831 P HA 0.150 nan 4.420 nan 0.000 0.260 831 P C 0.773 178.086 177.300 0.022 0.000 1.185 831 P CA 0.955 64.091 63.100 0.060 0.000 0.763 831 P CB 0.548 32.373 31.700 0.209 0.000 0.776 832 G N 3.105 111.887 108.800 -0.031 0.000 2.259 832 G HA2 -0.264 3.699 3.960 0.006 0.000 0.217 832 G HA3 -0.264 3.699 3.960 0.006 0.000 0.217 832 G C 1.213 176.104 174.900 -0.016 0.000 1.001 832 G CA 0.355 45.440 45.100 -0.026 0.000 0.627 832 G HN 0.501 nan 8.290 nan 0.000 0.501 833 E N 1.313 121.512 120.200 -0.003 0.000 2.110 833 E HA -0.054 4.300 4.350 0.006 0.000 0.193 833 E C 2.252 178.849 176.600 -0.005 0.000 0.988 833 E CA 1.985 58.387 56.400 0.004 0.000 0.804 833 E CB -0.300 29.409 29.700 0.016 0.000 0.745 833 E HN 0.494 nan 8.360 nan 0.000 0.458 834 N N 0.001 118.692 118.700 -0.015 0.000 2.120 834 N HA -0.100 4.644 4.740 0.006 0.000 0.188 834 N C 1.529 177.015 175.510 -0.039 0.000 1.024 834 N CA 1.595 54.633 53.050 -0.021 0.000 0.852 834 N CB -0.630 37.840 38.487 -0.028 0.000 1.003 834 N HN 0.285 nan 8.380 nan 0.000 0.424 835 A N 1.200 123.990 122.820 -0.050 0.000 1.933 835 A HA -0.086 4.237 4.320 0.006 0.000 0.218 835 A C 2.225 179.780 177.584 -0.047 0.000 1.175 835 A CA 1.111 53.113 52.037 -0.059 0.000 0.628 835 A CB -0.340 18.622 19.000 -0.063 0.000 0.814 835 A HN 0.231 nan 8.150 nan 0.000 0.444 836 R N -1.170 119.311 120.500 -0.032 0.000 2.075 836 R HA -0.153 4.191 4.340 0.006 0.000 0.232 836 R C 2.475 178.754 176.300 -0.036 0.000 1.126 836 R CA 1.556 57.642 56.100 -0.024 0.000 0.963 836 R CB -0.272 30.023 30.300 -0.010 0.000 0.858 836 R HN 0.605 nan 8.270 nan 0.000 0.435 837 Q N 1.071 120.850 119.800 -0.036 0.000 2.124 837 Q HA -0.148 4.196 4.340 0.006 0.000 0.202 837 Q C 1.881 177.803 176.000 -0.131 0.000 0.977 837 Q CA 1.335 57.104 55.803 -0.057 0.000 0.850 837 Q CB -0.251 28.481 28.738 -0.010 0.000 0.901 837 Q HN 0.218 nan 8.270 nan 0.000 0.429 838 L N 0.036 121.195 121.223 -0.107 0.000 2.046 838 L HA 0.016 4.360 4.340 0.006 0.000 0.208 838 L C 2.062 178.872 176.870 -0.100 0.000 1.077 838 L CA 2.180 56.946 54.840 -0.124 0.000 0.747 838 L CB -1.165 40.834 42.059 -0.100 0.000 0.896 838 L HN 0.249 nan 8.230 nan 0.000 0.432 839 A N -0.417 122.364 122.820 -0.064 0.000 1.902 839 A HA -0.200 4.124 4.320 0.006 0.000 0.217 839 A C 2.386 179.941 177.584 -0.048 0.000 1.181 839 A CA 1.625 53.645 52.037 -0.029 0.000 0.623 839 A CB -0.509 18.484 19.000 -0.013 0.000 0.818 839 A HN 0.497 nan 8.150 nan 0.000 0.443 840 R N -0.607 119.849 120.500 -0.075 0.000 2.081 840 R HA -0.054 4.290 4.340 0.006 0.000 0.235 840 R C 2.005 178.225 176.300 -0.133 0.000 1.131 840 R CA 1.544 57.594 56.100 -0.082 0.000 0.960 840 R CB -0.559 29.698 30.300 -0.072 0.000 0.856 840 R HN 0.571 nan 8.270 nan 0.000 0.436 841 I N 0.443 120.873 120.570 -0.233 0.000 2.226 841 I HA -0.255 3.919 4.170 0.006 0.000 0.245 841 I C 2.344 178.371 176.117 -0.150 0.000 1.100 841 I CA 1.100 62.214 61.300 -0.310 0.000 1.374 841 I CB -0.218 37.494 38.000 -0.479 0.000 1.057 841 I HN -0.047 nan 8.210 nan 0.000 0.413 842 V N -0.058 119.804 119.914 -0.087 0.000 2.295 842 V HA -0.354 3.770 4.120 0.006 0.000 0.246 842 V C 2.568 178.643 176.094 -0.032 0.000 1.049 842 V CA 1.974 64.259 62.300 -0.025 0.000 1.024 842 V CB -0.514 31.341 31.823 0.053 0.000 0.648 842 V HN 0.643 nan 8.190 nan 0.000 0.447 843 C N 0.781 120.062 119.300 -0.032 0.000 2.425 843 C HA -0.061 4.403 4.460 0.006 0.000 0.277 843 C C 2.924 177.896 174.990 -0.031 0.000 1.280 843 C CA 0.953 59.956 59.018 -0.025 0.000 1.744 843 C CB -1.520 26.209 27.740 -0.018 0.000 1.989 843 C HN 0.650 nan 8.230 nan 0.000 0.491 844 G N -0.540 108.237 108.800 -0.040 0.000 2.402 844 G HA2 -0.132 3.832 3.960 0.006 0.000 0.216 844 G HA3 -0.132 3.832 3.960 0.006 0.000 0.216 844 G C 1.765 176.652 174.900 -0.022 0.000 1.162 844 G CA 1.529 46.613 45.100 -0.027 0.000 0.777 844 G HN 0.538 nan 8.290 nan 0.000 0.539 845 T N 0.998 115.532 114.554 -0.033 0.000 2.777 845 T HA -0.097 4.257 4.350 0.006 0.000 0.266 845 T C 2.518 177.194 174.700 -0.039 0.000 1.040 845 T CA 1.103 63.187 62.100 -0.027 0.000 1.141 845 T CB -0.274 68.575 68.868 -0.031 0.000 0.868 845 T HN 0.044 nan 8.240 nan 0.000 0.444 846 V N 1.702 121.584 119.914 -0.052 0.000 2.287 846 V HA -0.229 3.895 4.120 0.006 0.000 0.248 846 V C 2.470 178.541 176.094 -0.037 0.000 1.053 846 V CA 1.934 64.191 62.300 -0.071 0.000 1.027 846 V CB -0.595 31.192 31.823 -0.061 0.000 0.646 846 V HN 0.480 nan 8.190 nan 0.000 0.447 847 M N -0.284 119.302 119.600 -0.023 0.000 2.108 847 M HA -0.188 4.296 4.480 0.006 0.000 0.261 847 M C 2.139 178.438 176.300 -0.002 0.000 1.066 847 M CA 2.213 57.504 55.300 -0.015 0.000 1.107 847 M CB -0.279 32.303 32.600 -0.029 0.000 1.356 847 M HN 0.367 nan 8.290 nan 0.000 0.406 848 A N -0.048 122.772 122.820 0.001 0.000 1.902 848 A HA -0.054 4.270 4.320 0.006 0.000 0.217 848 A C 2.249 179.857 177.584 0.041 0.000 1.181 848 A CA 1.796 53.843 52.037 0.016 0.000 0.623 848 A CB -1.598 17.412 19.000 0.017 0.000 0.818 848 A HN 0.629 nan 8.150 nan 0.000 0.443 849 G N -0.477 108.345 108.800 0.037 0.000 2.418 849 G HA2 -0.193 3.771 3.960 0.006 0.000 0.217 849 G HA3 -0.193 3.771 3.960 0.006 0.000 0.217 849 G C 1.399 176.459 174.900 0.267 0.000 1.158 849 G CA 0.957 46.129 45.100 0.120 0.000 0.771 849 G HN 0.490 nan 8.290 nan 0.000 0.545 850 E N 0.312 120.602 120.200 0.149 0.000 2.077 850 E HA -0.028 4.325 4.350 0.006 0.000 0.193 850 E C 2.603 179.247 176.600 0.073 0.000 0.989 850 E CA 0.255 56.738 56.400 0.139 0.000 0.800 850 E CB -0.370 29.375 29.700 0.076 0.000 0.746 850 E HN 0.396 nan 8.360 nan 0.000 0.452 851 L N 0.592 121.843 121.223 0.046 0.000 1.989 851 L HA -0.219 4.124 4.340 0.006 0.000 0.211 851 L C 2.707 179.590 176.870 0.022 0.000 1.071 851 L CA 1.374 56.227 54.840 0.022 0.000 0.749 851 L CB -0.359 41.707 42.059 0.012 0.000 0.890 851 L HN 0.131 nan 8.230 nan 0.000 0.431 852 S N -0.360 115.362 115.700 0.037 0.000 2.348 852 S HA -0.210 4.263 4.470 0.006 0.000 0.221 852 S C 1.845 176.442 174.600 -0.005 0.000 1.033 852 S CA 1.610 59.824 58.200 0.024 0.000 1.010 852 S CB -0.295 62.930 63.200 0.042 0.000 0.891 852 S HN 0.310 nan 8.310 nan 0.000 0.442 853 L N 1.708 122.917 121.223 -0.024 0.000 2.046 853 L HA 0.016 4.360 4.340 0.006 0.000 0.208 853 L C 2.216 179.035 176.870 -0.086 0.000 1.077 853 L CA 1.892 56.653 54.840 -0.132 0.000 0.747 853 L CB -0.708 41.104 42.059 -0.411 0.000 0.896 853 L HN 0.306 nan 8.230 nan 0.000 0.432 854 M N -0.610 118.965 119.600 -0.042 0.000 2.159 854 M HA -0.125 4.359 4.480 0.006 0.000 0.263 854 M C 2.415 178.703 176.300 -0.019 0.000 1.063 854 M CA 1.677 56.961 55.300 -0.025 0.000 1.110 854 M CB -1.718 30.881 32.600 -0.002 0.000 1.374 854 M HN 0.448 nan 8.290 nan 0.000 0.411 855 A N 0.398 123.210 122.820 -0.014 0.000 1.902 855 A HA -0.019 4.305 4.320 0.006 0.000 0.217 855 A C 2.453 180.028 177.584 -0.015 0.000 1.181 855 A CA 2.190 54.221 52.037 -0.009 0.000 0.623 855 A CB -0.935 18.063 19.000 -0.004 0.000 0.818 855 A HN 0.480 nan 8.150 nan 0.000 0.443 856 A N -0.453 122.352 122.820 -0.025 0.000 1.933 856 A HA -0.019 4.305 4.320 0.006 0.000 0.218 856 A C 2.148 179.714 177.584 -0.030 0.000 1.175 856 A CA 1.516 53.536 52.037 -0.029 0.000 0.628 856 A CB -0.526 18.450 19.000 -0.039 0.000 0.814 856 A HN 0.484 nan 8.150 nan 0.000 0.444 857 L N -1.176 120.025 121.223 -0.036 0.000 2.131 857 L HA -0.069 4.275 4.340 0.006 0.000 0.206 857 L C 3.025 179.883 176.870 -0.020 0.000 1.087 857 L CA 0.822 55.643 54.840 -0.032 0.000 0.767 857 L CB -0.489 41.547 42.059 -0.039 0.000 0.917 857 L HN 0.401 nan 8.230 nan 0.000 0.441 858 A N 0.157 122.968 122.820 -0.015 0.000 1.930 858 A HA -0.101 4.223 4.320 0.006 0.000 0.217 858 A C 2.489 180.069 177.584 -0.007 0.000 1.175 858 A CA 1.670 53.702 52.037 -0.008 0.000 0.627 858 A CB -0.499 18.498 19.000 -0.004 0.000 0.815 858 A HN 0.384 nan 8.150 nan 0.000 0.443 859 A N -1.485 121.329 122.820 -0.009 0.000 1.874 859 A HA 0.460 4.784 4.320 0.006 0.000 0.214 859 A C 1.508 179.087 177.584 -0.009 0.000 1.189 859 A CA 1.772 53.805 52.037 -0.008 0.000 0.615 859 A CB -0.775 18.220 19.000 -0.007 0.000 0.830 859 A HN 2.056 nan 8.150 nan 0.000 0.443 860 G N 0.000 108.792 108.800 -0.013 0.000 5.446 860 G HA2 0.000 3.964 3.960 0.006 0.000 0.244 860 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 860 G CA 0.000 45.092 45.100 -0.013 0.000 0.502 860 G HN 0.000 nan 8.290 nan 0.000 0.925