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 3bgl_1_B DATA FIRST_RESID 441 DATA SEQUENCE EPRPNEECLQ ILGNAEKGAK FLSDAEIIQL VNAKHIPAYK LETLIETHER DATA SEQUENCE GVSIRRQLLS KKLSEPSSLQ YLPYRDYNYS LVMGACCENV IGYMPIPVGV DATA SEQUENCE AGPLCLDEKE FQVPMATTEG CLVASTNRGC RAIGLGGGAS SRVLADGMTR DATA SEQUENCE GPVVRLPRAC DSAEVKAWLE TSEGFAVIKE AFDSTSRFAR LQKLHTSIAG DATA SEQUENCE RNLYIRFQSR SGDAMGMNMI SKGTEKALSK LHEYFPEMQI LAVSGNYCTD DATA SEQUENCE KKPAAINWIE GRGKSVVCEA VIPAKVVREV LKTTTEAMIE VNINKNLVGS DATA SEQUENCE AMAGSIGGYN AHAANIVTAI YIACGQDAAQ NVGSSNCITL MEASGPTNED DATA SEQUENCE LYISCTMPSI EIGTVGGGTN LLPQQACLQM LGVQGACKDN PGENARQLAR DATA SEQUENCE IVCGTVMAGE LSLMAALAAG H VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 441 E HA 0.000 nan 4.350 nan 0.000 0.291 441 E C 0.000 176.602 176.600 0.004 0.000 1.382 441 E CA 0.000 56.402 56.400 0.003 0.000 0.976 441 E CB 0.000 29.701 29.700 0.001 0.000 0.812 442 P HA 0.252 nan 4.420 nan 0.000 0.271 442 P C -0.107 177.195 177.300 0.003 0.000 1.226 442 P CA 0.297 63.398 63.100 0.003 0.000 0.765 442 P CB 0.663 32.364 31.700 0.003 0.000 0.835 443 R N 3.495 123.996 120.500 0.002 0.000 2.596 443 R HA 0.495 4.840 4.340 0.007 0.000 0.267 443 R C -2.064 174.233 176.300 -0.004 0.000 1.026 443 R CA -1.711 54.389 56.100 -0.001 0.000 1.087 443 R CB 0.031 30.330 30.300 -0.001 0.000 1.132 443 R HN 0.352 nan 8.270 nan 0.000 0.531 444 P HA 0.067 nan 4.420 nan 0.000 0.274 444 P C -0.093 177.193 177.300 -0.024 0.000 1.260 444 P CA -0.354 62.743 63.100 -0.005 0.000 0.793 444 P CB 0.537 32.235 31.700 -0.002 0.000 1.048 445 N N 0.233 118.922 118.700 -0.020 0.000 2.171 445 N HA -0.122 4.622 4.740 0.007 0.000 0.184 445 N C 1.361 176.778 175.510 -0.155 0.000 1.021 445 N CA 1.189 54.188 53.050 -0.085 0.000 0.854 445 N CB -0.028 38.483 38.487 0.039 0.000 0.994 445 N HN 0.516 nan 8.380 nan 0.000 0.426 446 E N 1.274 121.430 120.200 -0.074 0.000 2.072 446 E HA -0.134 4.221 4.350 0.007 0.000 0.191 446 E C 1.670 178.228 176.600 -0.069 0.000 0.985 446 E CA 0.938 57.298 56.400 -0.067 0.000 0.801 446 E CB 0.007 29.693 29.700 -0.022 0.000 0.750 446 E HN 0.338 nan 8.360 nan 0.000 0.452 447 E N -0.313 119.856 120.200 -0.051 0.000 2.153 447 E HA -0.168 4.187 4.350 0.007 0.000 0.194 447 E C 1.833 178.401 176.600 -0.053 0.000 0.988 447 E CA 0.965 57.339 56.400 -0.043 0.000 0.811 447 E CB -0.054 29.631 29.700 -0.026 0.000 0.746 447 E HN 0.263 nan 8.360 nan 0.000 0.466 448 C N -0.060 119.196 119.300 -0.073 0.000 2.466 448 C HA 0.007 4.472 4.460 0.007 0.000 0.278 448 C C 2.443 177.375 174.990 -0.096 0.000 1.288 448 C CA 0.231 59.204 59.018 -0.076 0.000 1.722 448 C CB -0.660 27.026 27.740 -0.090 0.000 2.017 448 C HN 0.422 nan 8.230 nan 0.000 0.488 449 L N 1.099 122.239 121.223 -0.139 0.000 2.093 449 L HA -0.198 4.146 4.340 0.007 0.000 0.208 449 L C 2.949 179.770 176.870 -0.082 0.000 1.085 449 L CA 1.647 56.409 54.840 -0.131 0.000 0.755 449 L CB -0.631 41.326 42.059 -0.171 0.000 0.904 449 L HN 0.548 nan 8.230 nan 0.000 0.435 450 Q N 0.136 119.891 119.800 -0.073 0.000 2.084 450 Q HA -0.208 4.136 4.340 0.007 0.000 0.202 450 Q C 2.073 178.029 176.000 -0.073 0.000 0.978 450 Q CA 1.746 57.511 55.803 -0.063 0.000 0.844 450 Q CB -0.458 28.246 28.738 -0.056 0.000 0.898 450 Q HN 0.475 nan 8.270 nan 0.000 0.426 451 I N 0.702 121.226 120.570 -0.076 0.000 2.394 451 I HA -0.206 3.968 4.170 0.007 0.000 0.251 451 I C 2.391 178.460 176.117 -0.080 0.000 1.136 451 I CA 0.676 61.918 61.300 -0.097 0.000 1.425 451 I CB -0.182 37.776 38.000 -0.069 0.000 1.079 451 I HN 0.301 nan 8.210 nan 0.000 0.425 452 L N 0.486 121.676 121.223 -0.055 0.000 2.044 452 L HA -0.084 4.260 4.340 0.007 0.000 0.205 452 L C 2.270 179.117 176.870 -0.038 0.000 1.075 452 L CA 1.907 56.725 54.840 -0.037 0.000 0.747 452 L CB -0.752 41.284 42.059 -0.039 0.000 0.903 452 L HN 0.299 nan 8.230 nan 0.000 0.435 453 G N -0.420 108.354 108.800 -0.044 0.000 2.848 453 G HA2 -0.159 3.805 3.960 0.007 0.000 0.208 453 G HA3 -0.159 3.805 3.960 0.007 0.000 0.208 453 G C 0.646 175.519 174.900 -0.046 0.000 1.152 453 G CA -0.262 44.816 45.100 -0.038 0.000 0.789 453 G HN 0.293 nan 8.290 nan 0.000 0.531 454 N N 0.800 119.459 118.700 -0.067 0.000 2.422 454 N HA 0.322 5.066 4.740 0.007 0.000 0.264 454 N C 1.401 176.862 175.510 -0.082 0.000 1.063 454 N CA 0.267 53.265 53.050 -0.086 0.000 0.959 454 N CB 1.593 40.001 38.487 -0.132 0.000 1.087 454 N HN -0.012 nan 8.380 nan 0.000 0.483 455 A N 3.969 126.752 122.820 -0.062 0.000 1.902 455 A HA -0.174 4.150 4.320 0.007 0.000 0.217 455 A C 1.601 179.156 177.584 -0.048 0.000 1.181 455 A CA 1.531 53.542 52.037 -0.042 0.000 0.623 455 A CB -0.380 18.603 19.000 -0.028 0.000 0.818 455 A HN 0.890 nan 8.150 nan 0.000 0.443 456 E N -0.728 119.427 120.200 -0.075 0.000 2.489 456 E HA 0.022 4.376 4.350 0.007 0.000 0.193 456 E C 1.222 177.731 176.600 -0.152 0.000 1.057 456 E CA 0.508 56.864 56.400 -0.073 0.000 0.866 456 E CB 0.073 29.735 29.700 -0.064 0.000 0.916 456 E HN 0.603 nan 8.360 nan 0.000 0.500 457 K N 0.396 120.640 120.400 -0.260 0.000 2.386 457 K HA 0.313 4.638 4.320 0.007 0.000 0.237 457 K C 0.902 177.441 176.600 -0.100 0.000 1.122 457 K CA 0.405 56.346 56.287 -0.576 0.000 0.838 457 K CB 0.241 32.239 32.500 -0.837 0.000 1.364 457 K HN 0.168 nan 8.250 nan 0.000 0.440 458 G N 0.557 109.316 108.800 -0.068 0.000 2.681 458 G HA2 -0.253 3.711 3.960 0.007 0.000 0.220 458 G HA3 -0.253 3.711 3.960 0.007 0.000 0.220 458 G C 0.509 175.472 174.900 0.105 0.000 1.353 458 G CA -0.082 45.042 45.100 0.039 0.000 0.872 458 G HN 0.403 nan 8.290 nan 0.000 0.557 459 A N -0.457 122.416 122.820 0.089 0.000 2.119 459 A HA 0.188 4.512 4.320 0.007 0.000 0.216 459 A C 2.159 179.805 177.584 0.103 0.000 1.152 459 A CA 2.206 54.290 52.037 0.078 0.000 0.708 459 A CB -0.332 18.692 19.000 0.041 0.000 0.805 459 A HN 0.852 nan 8.150 nan 0.000 0.460 460 K N -1.020 119.462 120.400 0.137 0.000 2.113 460 K HA -0.175 4.149 4.320 0.007 0.000 0.208 460 K C 1.174 177.793 176.600 0.032 0.000 1.047 460 K CA 1.637 57.969 56.287 0.074 0.000 0.928 460 K CB -0.276 32.263 32.500 0.065 0.000 0.716 460 K HN 0.458 nan 8.250 nan 0.000 0.446 461 F N 0.977 120.920 119.950 -0.012 0.000 2.456 461 F HA 0.069 4.600 4.527 0.007 0.000 0.298 461 F C 0.937 176.729 175.800 -0.014 0.000 1.104 461 F CA 0.350 58.343 58.000 -0.013 0.000 1.435 461 F CB -0.001 38.991 39.000 -0.014 0.000 1.078 461 F HN -0.112 nan 8.300 nan 0.000 0.546 462 L N -0.239 121.070 121.223 0.143 0.000 2.439 462 L HA 0.278 4.622 4.340 0.007 0.000 0.261 462 L C 0.809 177.697 176.870 0.029 0.000 1.153 462 L CA -0.694 54.187 54.840 0.067 0.000 0.808 462 L CB 0.817 42.903 42.059 0.044 0.000 1.126 462 L HN -0.032 nan 8.230 nan 0.000 0.460 463 S N -1.107 114.602 115.700 0.016 0.000 2.713 463 S HA 0.242 4.716 4.470 0.007 0.000 0.283 463 S C 0.337 174.938 174.600 0.002 0.000 1.161 463 S CA -0.761 57.442 58.200 0.004 0.000 0.999 463 S CB 1.671 64.872 63.200 0.001 0.000 1.039 463 S HN 0.578 nan 8.310 nan 0.000 0.548 464 D N 1.373 121.772 120.400 -0.001 0.000 2.104 464 D HA -0.039 4.605 4.640 0.007 0.000 0.194 464 D C 2.215 178.512 176.300 -0.005 0.000 0.994 464 D CA 2.086 56.084 54.000 -0.003 0.000 0.830 464 D CB -0.860 39.938 40.800 -0.003 0.000 0.959 464 D HN 0.718 nan 8.370 nan 0.000 0.452 465 A N 0.607 123.425 122.820 -0.003 0.000 1.978 465 A HA -0.221 4.104 4.320 0.007 0.000 0.220 465 A C 2.021 179.605 177.584 -0.001 0.000 1.170 465 A CA 1.611 53.646 52.037 -0.003 0.000 0.636 465 A CB -0.495 18.504 19.000 -0.002 0.000 0.810 465 A HN 0.253 nan 8.150 nan 0.000 0.448 466 E N -0.587 119.612 120.200 -0.001 0.000 2.107 466 E HA -0.060 4.294 4.350 0.007 0.000 0.191 466 E C 1.788 178.385 176.600 -0.005 0.000 0.982 466 E CA 0.983 57.382 56.400 -0.003 0.000 0.809 466 E CB -0.197 29.502 29.700 -0.002 0.000 0.756 466 E HN 0.703 nan 8.360 nan 0.000 0.459 467 I N 0.837 121.404 120.570 -0.005 0.000 2.353 467 I HA -0.225 3.950 4.170 0.007 0.000 0.248 467 I C 2.168 178.282 176.117 -0.005 0.000 1.119 467 I CA 0.898 62.193 61.300 -0.008 0.000 1.417 467 I CB -0.056 37.939 38.000 -0.008 0.000 1.078 467 I HN 0.081 nan 8.210 nan 0.000 0.421 468 I N 0.185 120.752 120.570 -0.005 0.000 2.394 468 I HA -0.294 3.880 4.170 0.007 0.000 0.251 468 I C 2.629 178.750 176.117 0.006 0.000 1.136 468 I CA 1.251 62.548 61.300 -0.005 0.000 1.425 468 I CB -0.300 37.695 38.000 -0.009 0.000 1.079 468 I HN 0.324 nan 8.210 nan 0.000 0.425 469 Q N 0.569 120.377 119.800 0.013 0.000 2.119 469 Q HA -0.204 4.140 4.340 0.007 0.000 0.201 469 Q C 2.180 178.218 176.000 0.063 0.000 0.972 469 Q CA 1.374 57.194 55.803 0.029 0.000 0.847 469 Q CB 0.162 28.915 28.738 0.024 0.000 0.903 469 Q HN 0.344 nan 8.270 nan 0.000 0.433 470 L N -0.517 120.742 121.223 0.059 0.000 2.109 470 L HA -0.106 4.239 4.340 0.007 0.000 0.207 470 L C 2.159 179.091 176.870 0.103 0.000 1.086 470 L CA 0.968 55.879 54.840 0.118 0.000 0.760 470 L CB -0.531 41.541 42.059 0.022 0.000 0.910 470 L HN 0.081 nan 8.230 nan 0.000 0.437 471 V N -0.603 119.332 119.914 0.036 0.000 2.548 471 V HA -0.221 3.903 4.120 0.007 0.000 0.249 471 V C 1.998 178.094 176.094 0.003 0.000 1.055 471 V CA 1.597 63.900 62.300 0.005 0.000 1.065 471 V CB -0.676 31.137 31.823 -0.017 0.000 0.681 471 V HN 0.531 nan 8.190 nan 0.000 0.462 472 N N 0.449 119.156 118.700 0.011 0.000 2.250 472 N HA -0.017 4.727 4.740 0.007 0.000 0.181 472 N C 1.649 177.154 175.510 -0.007 0.000 1.017 472 N CA 0.991 54.041 53.050 0.001 0.000 0.866 472 N CB -0.196 38.294 38.487 0.004 0.000 0.985 472 N HN 0.445 nan 8.380 nan 0.000 0.429 473 A N 0.824 123.648 122.820 0.005 0.000 2.259 473 A HA 0.041 4.365 4.320 0.007 0.000 0.208 473 A C 0.502 177.997 177.584 -0.148 0.000 1.201 473 A CA 0.413 52.419 52.037 -0.050 0.000 0.824 473 A CB 0.043 19.042 19.000 -0.002 0.000 0.838 473 A HN 0.124 nan 8.150 nan 0.000 0.485 474 K N -1.619 118.736 120.400 -0.075 0.000 3.553 474 K HA -0.229 4.095 4.320 0.007 0.000 0.303 474 K C 0.683 177.237 176.600 -0.077 0.000 1.327 474 K CA 1.353 57.592 56.287 -0.079 0.000 0.983 474 K CB -2.185 30.261 32.500 -0.090 0.000 1.275 474 K HN 0.749 nan 8.250 nan 0.000 0.453 475 H N 0.225 119.278 119.070 -0.028 0.000 2.289 475 H HA -0.054 4.506 4.556 0.007 0.000 0.294 475 H C 1.231 176.532 175.328 -0.046 0.000 1.095 475 H CA 1.737 57.767 56.048 -0.030 0.000 1.256 475 H CB 0.052 29.797 29.762 -0.027 0.000 1.359 475 H HN 0.294 nan 8.280 nan 0.000 0.487 476 I N 1.207 121.822 120.570 0.074 0.000 2.530 476 I HA 0.236 4.410 4.170 0.007 0.000 0.297 476 I C -2.187 173.867 176.117 -0.104 0.000 1.011 476 I CA -2.148 59.136 61.300 -0.028 0.000 1.107 476 I CB 2.237 40.217 38.000 -0.033 0.000 1.285 476 I HN -0.091 nan 8.210 nan 0.000 0.436 477 P HA 0.221 nan 4.420 nan 0.000 0.277 477 P C 0.135 177.193 177.300 -0.403 0.000 1.240 477 P CA -0.411 62.465 63.100 -0.375 0.000 0.798 477 P CB 1.140 32.378 31.700 -0.770 0.000 0.979 478 A N 2.300 124.970 122.820 -0.250 0.000 1.930 478 A HA -0.200 4.124 4.320 0.007 0.000 0.217 478 A C 1.836 179.363 177.584 -0.096 0.000 1.175 478 A CA 1.523 53.490 52.037 -0.116 0.000 0.627 478 A CB -1.809 17.185 19.000 -0.011 0.000 0.815 478 A HN 0.738 nan 8.150 nan 0.000 0.443 479 Y N -1.179 119.123 120.300 0.002 0.000 2.421 479 Y HA 0.075 4.629 4.550 0.007 0.000 0.292 479 Y C 1.779 177.682 175.900 0.006 0.000 1.136 479 Y CA 1.111 59.212 58.100 0.002 0.000 1.255 479 Y CB -0.386 38.076 38.460 0.004 0.000 0.991 479 Y HN 0.073 nan 8.280 nan 0.000 0.552 480 K N 0.856 121.061 120.400 -0.324 0.000 2.439 480 K HA 0.005 4.330 4.320 0.007 0.000 0.197 480 K C 1.666 178.229 176.600 -0.062 0.000 1.041 480 K CA 0.576 56.767 56.287 -0.159 0.000 0.970 480 K CB -0.219 32.123 32.500 -0.262 0.000 0.773 480 K HN 0.470 nan 8.250 nan 0.000 0.479 481 L N 0.532 121.722 121.223 -0.056 0.000 2.127 481 L HA -0.232 4.112 4.340 0.007 0.000 0.211 481 L C 2.229 179.107 176.870 0.013 0.000 1.089 481 L CA 1.152 55.979 54.840 -0.021 0.000 0.757 481 L CB -0.353 41.692 42.059 -0.024 0.000 0.899 481 L HN 0.190 nan 8.230 nan 0.000 0.434 482 E N 0.042 120.259 120.200 0.030 0.000 2.114 482 E HA -0.258 4.096 4.350 0.007 0.000 0.199 482 E C 2.012 178.649 176.600 0.063 0.000 1.008 482 E CA 2.359 58.788 56.400 0.048 0.000 0.810 482 E CB 0.042 29.777 29.700 0.057 0.000 0.739 482 E HN 0.583 nan 8.360 nan 0.000 0.456 483 T N -2.788 111.798 114.554 0.053 0.000 3.015 483 T HA 0.085 4.439 4.350 0.007 0.000 0.250 483 T C 1.461 176.188 174.700 0.046 0.000 1.057 483 T CA -0.027 62.107 62.100 0.056 0.000 1.066 483 T CB 0.113 69.012 68.868 0.051 0.000 0.959 483 T HN -0.019 nan 8.240 nan 0.000 0.488 484 L N 0.669 121.911 121.223 0.030 0.000 2.249 484 L HA 0.446 4.790 4.340 0.007 0.000 0.207 484 L C 0.949 177.836 176.870 0.029 0.000 1.090 484 L CA 0.375 55.228 54.840 0.021 0.000 0.802 484 L CB -0.266 41.794 42.059 0.001 0.000 0.947 484 L HN 0.325 nan 8.230 nan 0.000 0.453 485 I N 0.189 120.780 120.570 0.035 0.000 2.662 485 I HA 0.028 4.203 4.170 0.007 0.000 0.291 485 I C 1.345 177.486 176.117 0.040 0.000 1.046 485 I CA -0.019 61.302 61.300 0.035 0.000 1.361 485 I CB 0.996 39.014 38.000 0.031 0.000 1.429 485 I HN 0.179 nan 8.210 nan 0.000 0.558 486 E N 1.970 122.183 120.200 0.022 0.000 2.170 486 E HA 0.001 4.355 4.350 0.007 0.000 0.191 486 E C 0.119 176.685 176.600 -0.057 0.000 0.981 486 E CA 0.593 56.993 56.400 0.000 0.000 0.830 486 E CB -0.182 29.520 29.700 0.004 0.000 0.775 486 E HN 0.559 nan 8.360 nan 0.000 0.470 487 T N 0.960 115.483 114.554 -0.051 0.000 2.859 487 T HA 0.213 4.568 4.350 0.007 0.000 0.281 487 T C 0.185 174.865 174.700 -0.033 0.000 1.005 487 T CA -0.709 61.328 62.100 -0.104 0.000 1.025 487 T CB 1.087 69.934 68.868 -0.035 0.000 0.977 487 T HN 0.090 nan 8.240 nan 0.000 0.458 488 H N 1.481 120.581 119.070 0.050 0.000 2.326 488 H HA -0.049 4.511 4.556 0.007 0.000 0.301 488 H C 2.097 177.387 175.328 -0.063 0.000 1.081 488 H CA 1.450 57.509 56.048 0.019 0.000 1.334 488 H CB -0.067 29.760 29.762 0.108 0.000 1.385 488 H HN 0.794 nan 8.280 nan 0.000 0.504 489 E N 1.087 121.370 120.200 0.138 0.000 2.160 489 E HA -0.184 4.170 4.350 0.007 0.000 0.195 489 E C 2.418 179.081 176.600 0.106 0.000 0.991 489 E CA 0.776 57.254 56.400 0.130 0.000 0.810 489 E CB 0.135 29.986 29.700 0.251 0.000 0.742 489 E HN 0.255 nan 8.360 nan 0.000 0.466 490 R N -0.532 120.009 120.500 0.069 0.000 2.115 490 R HA -0.049 4.296 4.340 0.007 0.000 0.226 490 R C 2.322 178.628 176.300 0.009 0.000 1.100 490 R CA 1.115 57.244 56.100 0.048 0.000 0.980 490 R CB -0.330 29.988 30.300 0.031 0.000 0.875 490 R HN 0.268 nan 8.270 nan 0.000 0.445 491 G N 0.056 108.856 108.800 0.000 0.000 2.422 491 G HA2 -0.202 3.762 3.960 0.007 0.000 0.218 491 G HA3 -0.202 3.762 3.960 0.007 0.000 0.218 491 G C 1.343 176.199 174.900 -0.073 0.000 1.146 491 G CA 0.828 45.915 45.100 -0.022 0.000 0.769 491 G HN 0.201 nan 8.290 nan 0.000 0.547 492 V N 0.760 120.599 119.914 -0.124 0.000 2.358 492 V HA -0.160 3.965 4.120 0.007 0.000 0.246 492 V C 3.017 178.974 176.094 -0.228 0.000 1.047 492 V CA 2.132 64.315 62.300 -0.194 0.000 1.035 492 V CB -0.258 31.389 31.823 -0.294 0.000 0.658 492 V HN 0.500 nan 8.190 nan 0.000 0.452 493 S N -0.222 115.383 115.700 -0.159 0.000 2.368 493 S HA -0.140 4.335 4.470 0.007 0.000 0.225 493 S C 1.902 176.413 174.600 -0.149 0.000 1.030 493 S CA 1.711 59.793 58.200 -0.198 0.000 0.999 493 S CB -0.320 62.893 63.200 0.023 0.000 0.844 493 S HN 0.527 nan 8.310 nan 0.000 0.459 494 I N 0.631 121.149 120.570 -0.087 0.000 2.439 494 I HA -0.020 4.155 4.170 0.007 0.000 0.251 494 I C 2.749 178.821 176.117 -0.075 0.000 1.139 494 I CA 0.846 62.107 61.300 -0.064 0.000 1.438 494 I CB -0.235 37.742 38.000 -0.037 0.000 1.085 494 I HN 0.250 nan 8.210 nan 0.000 0.427 495 R N 1.122 121.569 120.500 -0.089 0.000 2.073 495 R HA -0.136 4.209 4.340 0.007 0.000 0.234 495 R C 2.430 178.671 176.300 -0.099 0.000 1.134 495 R CA 1.502 57.554 56.100 -0.080 0.000 0.952 495 R CB -0.099 30.155 30.300 -0.077 0.000 0.850 495 R HN 0.169 nan 8.270 nan 0.000 0.433 496 R N -0.143 120.263 120.500 -0.156 0.000 2.091 496 R HA -0.170 4.174 4.340 0.007 0.000 0.238 496 R C 2.459 178.684 176.300 -0.126 0.000 1.136 496 R CA 2.081 58.076 56.100 -0.176 0.000 0.959 496 R CB -0.204 29.908 30.300 -0.314 0.000 0.856 496 R HN 0.403 nan 8.270 nan 0.000 0.437 497 Q N 0.186 119.918 119.800 -0.112 0.000 2.119 497 Q HA -0.094 4.250 4.340 0.007 0.000 0.201 497 Q C 2.156 178.123 176.000 -0.054 0.000 0.972 497 Q CA 1.080 56.839 55.803 -0.075 0.000 0.847 497 Q CB 0.001 28.703 28.738 -0.060 0.000 0.903 497 Q HN 0.333 nan 8.270 nan 0.000 0.433 498 L N -0.005 121.187 121.223 -0.051 0.000 2.005 498 L HA -0.198 4.147 4.340 0.007 0.000 0.207 498 L C 2.314 179.164 176.870 -0.034 0.000 1.072 498 L CA 0.603 55.421 54.840 -0.036 0.000 0.744 498 L CB -0.506 41.533 42.059 -0.032 0.000 0.895 498 L HN 0.265 nan 8.230 nan 0.000 0.433 499 L N -0.570 120.628 121.223 -0.041 0.000 2.043 499 L HA -0.228 4.117 4.340 0.007 0.000 0.212 499 L C 2.526 179.376 176.870 -0.034 0.000 1.075 499 L CA 1.886 56.705 54.840 -0.036 0.000 0.752 499 L CB -0.621 41.411 42.059 -0.044 0.000 0.891 499 L HN 0.112 nan 8.230 nan 0.000 0.432 500 S N -0.172 115.502 115.700 -0.043 0.000 2.402 500 S HA -0.172 4.303 4.470 0.007 0.000 0.229 500 S C 1.633 176.216 174.600 -0.028 0.000 1.021 500 S CA 1.517 59.694 58.200 -0.039 0.000 0.974 500 S CB -0.323 62.848 63.200 -0.049 0.000 0.800 500 S HN 0.706 nan 8.310 nan 0.000 0.484 501 K N 0.987 121.372 120.400 -0.026 0.000 2.444 501 K HA 0.175 4.499 4.320 0.007 0.000 0.193 501 K C 1.188 177.779 176.600 -0.015 0.000 1.024 501 K CA 0.464 56.739 56.287 -0.019 0.000 1.077 501 K CB 0.023 32.513 32.500 -0.017 0.000 0.833 501 K HN 0.116 nan 8.250 nan 0.000 0.517 502 K N 0.837 121.228 120.400 -0.015 0.000 2.400 502 K HA 0.187 4.511 4.320 0.007 0.000 0.194 502 K C 0.219 176.813 176.600 -0.010 0.000 1.033 502 K CA 0.051 56.331 56.287 -0.011 0.000 1.021 502 K CB 0.147 32.641 32.500 -0.010 0.000 0.808 502 K HN 0.136 nan 8.250 nan 0.000 0.505 503 L N 0.680 121.896 121.223 -0.012 0.000 2.379 503 L HA 0.101 4.445 4.340 0.007 0.000 0.269 503 L C 1.658 178.524 176.870 -0.007 0.000 1.084 503 L CA -0.407 54.427 54.840 -0.010 0.000 0.802 503 L CB 1.593 43.645 42.059 -0.012 0.000 1.175 503 L HN 0.044 nan 8.230 nan 0.000 0.448 504 S N -0.542 115.155 115.700 -0.005 0.000 2.402 504 S HA -0.023 4.452 4.470 0.007 0.000 0.229 504 S C 0.676 175.275 174.600 -0.003 0.000 1.021 504 S CA 0.582 58.780 58.200 -0.003 0.000 0.974 504 S CB 0.001 63.200 63.200 -0.001 0.000 0.800 504 S HN 0.585 nan 8.310 nan 0.000 0.484 505 E N 2.193 122.391 120.200 -0.003 0.000 2.102 505 E HA 0.323 4.677 4.350 0.007 0.000 0.263 505 E C -2.259 174.336 176.600 -0.008 0.000 0.894 505 E CA -2.421 53.978 56.400 -0.002 0.000 0.746 505 E CB 1.736 31.438 29.700 0.003 0.000 1.129 505 E HN 0.170 nan 8.360 nan 0.000 0.416 506 P HA -0.074 nan 4.420 nan 0.000 0.230 506 P C 0.834 178.117 177.300 -0.027 0.000 1.158 506 P CA 0.719 63.808 63.100 -0.019 0.000 0.769 506 P CB 0.312 32.002 31.700 -0.018 0.000 0.807 507 S N -1.985 113.700 115.700 -0.025 0.000 2.582 507 S HA 0.098 4.573 4.470 0.007 0.000 0.234 507 S C 1.506 176.085 174.600 -0.036 0.000 0.961 507 S CA 0.049 58.226 58.200 -0.039 0.000 0.953 507 S CB -0.982 62.196 63.200 -0.037 0.000 0.800 507 S HN 0.120 nan 8.310 nan 0.000 0.471 508 S N 2.017 117.705 115.700 -0.020 0.000 2.423 508 S HA 0.104 4.578 4.470 0.007 0.000 0.231 508 S C 1.452 176.049 174.600 -0.005 0.000 1.014 508 S CA 0.366 58.566 58.200 -0.001 0.000 0.965 508 S CB -0.795 62.406 63.200 0.002 0.000 0.785 508 S HN 0.594 nan 8.310 nan 0.000 0.495 509 L N 1.062 122.264 121.223 -0.035 0.000 2.591 509 L HA 0.170 4.514 4.340 0.007 0.000 0.228 509 L C 2.651 179.481 176.870 -0.066 0.000 1.133 509 L CA 0.191 55.005 54.840 -0.043 0.000 0.880 509 L CB -0.596 41.422 42.059 -0.068 0.000 1.033 509 L HN 0.396 nan 8.230 nan 0.000 0.450 510 Q N 0.788 120.512 119.800 -0.126 0.000 2.077 510 Q HA -0.229 4.115 4.340 0.007 0.000 0.206 510 Q C 1.182 176.973 176.000 -0.348 0.000 0.989 510 Q CA 2.092 57.720 55.803 -0.293 0.000 0.853 510 Q CB -0.040 28.405 28.738 -0.489 0.000 0.907 510 Q HN 0.584 nan 8.270 nan 0.000 0.418 511 Y N -0.559 119.740 120.300 -0.002 0.000 2.524 511 Y HA 0.181 4.736 4.550 0.007 0.000 0.266 511 Y C -0.256 175.623 175.900 -0.036 0.000 1.180 511 Y CA -0.822 57.271 58.100 -0.011 0.000 1.244 511 Y CB 0.718 39.172 38.460 -0.010 0.000 1.125 511 Y HN 0.115 nan 8.280 nan 0.000 0.524 512 L N 4.844 126.099 121.223 0.054 0.000 2.295 512 L HA 0.393 4.737 4.340 0.007 0.000 0.288 512 L C -2.427 174.406 176.870 -0.063 0.000 1.079 512 L CA -2.487 52.338 54.840 -0.025 0.000 0.830 512 L CB 0.096 42.137 42.059 -0.030 0.000 1.200 512 L HN -0.148 nan 8.230 nan 0.000 0.438 513 P HA 0.162 nan 4.420 nan 0.000 0.274 513 P C -1.011 176.050 177.300 -0.399 0.000 1.231 513 P CA 0.148 63.056 63.100 -0.320 0.000 0.790 513 P CB 0.919 32.311 31.700 -0.514 0.000 0.951 514 Y N -0.983 119.218 120.300 -0.164 0.000 2.463 514 Y HA 0.368 4.922 4.550 0.007 0.000 0.288 514 Y C 0.583 176.751 175.900 0.447 0.000 1.041 514 Y CA -0.591 57.623 58.100 0.189 0.000 1.054 514 Y CB -0.124 38.428 38.460 0.154 0.000 1.380 514 Y HN 0.002 nan 8.280 nan 0.000 0.581 515 R N 3.100 123.297 120.500 -0.505 0.000 2.643 515 R HA 0.075 4.420 4.340 0.007 0.000 0.270 515 R C -0.211 176.127 176.300 0.064 0.000 1.061 515 R CA 1.015 56.921 56.100 -0.323 0.000 1.107 515 R CB 0.010 30.060 30.300 -0.417 0.000 0.999 515 R HN 0.408 nan 8.270 nan 0.000 0.460 516 D N -0.554 119.896 120.400 0.084 0.000 3.059 516 D HA -0.267 4.378 4.640 0.007 0.000 0.213 516 D C -0.501 175.832 176.300 0.054 0.000 1.144 516 D CA 1.316 55.356 54.000 0.068 0.000 0.975 516 D CB -1.202 39.619 40.800 0.036 0.000 1.125 516 D HN 0.463 nan 8.370 nan 0.000 0.412 517 Y N 1.703 121.958 120.300 -0.076 0.000 2.301 517 Y HA 0.338 4.893 4.550 0.007 0.000 0.325 517 Y C 0.606 176.264 175.900 -0.403 0.000 1.203 517 Y CA -0.885 56.999 58.100 -0.360 0.000 1.255 517 Y CB 0.764 38.865 38.460 -0.598 0.000 1.232 517 Y HN -0.235 nan 8.280 nan 0.000 0.501 518 N N 4.561 122.549 118.700 -1.186 0.000 2.605 518 N HA 0.011 4.756 4.740 0.007 0.000 0.258 518 N C -0.560 174.556 175.510 -0.656 0.000 1.156 518 N CA 0.345 52.968 53.050 -0.710 0.000 1.008 518 N CB -0.551 37.598 38.487 -0.562 0.000 1.354 518 N HN 0.685 nan 8.380 nan 0.000 0.509 519 Y N 0.360 120.616 120.300 -0.072 0.000 2.583 519 Y HA -0.083 4.471 4.550 0.007 0.000 0.293 519 Y C 2.358 178.230 175.900 -0.046 0.000 1.157 519 Y CA 0.452 58.593 58.100 0.069 0.000 1.315 519 Y CB 0.159 38.746 38.460 0.212 0.000 1.021 519 Y HN 0.549 nan 8.280 nan 0.000 0.536 520 S N 0.031 115.810 115.700 0.131 0.000 2.368 520 S HA -0.173 4.302 4.470 0.007 0.000 0.224 520 S C 1.675 176.259 174.600 -0.026 0.000 1.029 520 S CA 1.043 59.268 58.200 0.041 0.000 0.988 520 S CB -0.787 62.517 63.200 0.173 0.000 0.838 520 S HN 0.514 nan 8.310 nan 0.000 0.462 521 L N 0.949 122.154 121.223 -0.029 0.000 2.478 521 L HA 0.127 4.471 4.340 0.007 0.000 0.223 521 L C 2.147 179.018 176.870 0.001 0.000 1.140 521 L CA 0.146 54.971 54.840 -0.025 0.000 0.842 521 L CB -0.263 41.768 42.059 -0.047 0.000 0.953 521 L HN 0.247 nan 8.230 nan 0.000 0.452 522 V N -1.451 118.481 119.914 0.031 0.000 2.492 522 V HA 0.009 4.134 4.120 0.007 0.000 0.241 522 V C 1.150 177.277 176.094 0.055 0.000 1.041 522 V CA 0.388 62.742 62.300 0.091 0.000 1.057 522 V CB -0.055 31.904 31.823 0.227 0.000 0.711 522 V HN 0.208 nan 8.190 nan 0.000 0.468 523 M N 1.188 120.789 119.600 0.001 0.000 2.303 523 M HA 0.378 4.863 4.480 0.007 0.000 0.350 523 M C 1.150 177.426 176.300 -0.039 0.000 1.518 523 M CA 0.713 55.983 55.300 -0.051 0.000 1.070 523 M CB -0.609 31.860 32.600 -0.217 0.000 1.910 523 M HN 0.415 nan 8.290 nan 0.000 0.458 524 G N 2.700 111.497 108.800 -0.006 0.000 2.160 524 G HA2 -0.033 3.931 3.960 0.007 0.000 0.244 524 G HA3 -0.033 3.931 3.960 0.007 0.000 0.244 524 G C 0.394 175.298 174.900 0.007 0.000 1.022 524 G CA 0.424 45.525 45.100 0.003 0.000 0.741 524 G HN 1.200 nan 8.290 nan 0.000 0.508 525 A N -2.993 119.836 122.820 0.014 0.000 1.519 525 A HA 0.462 4.786 4.320 0.007 0.000 0.210 525 A C 1.569 179.167 177.584 0.024 0.000 1.889 525 A CA 1.585 53.631 52.037 0.016 0.000 1.478 525 A CB -0.206 18.801 19.000 0.012 0.000 1.432 525 A HN 0.964 nan 8.150 nan 0.000 0.340 526 C N -0.987 118.335 119.300 0.037 0.000 3.449 526 C HA 0.615 5.079 4.460 0.007 0.000 0.404 526 C C 0.407 175.430 174.990 0.055 0.000 1.383 526 C CA 0.155 59.200 59.018 0.046 0.000 1.936 526 C CB -0.287 27.489 27.740 0.059 0.000 2.738 526 C HN 0.715 nan 8.230 nan 0.000 0.663 527 C N 1.104 120.441 119.300 0.062 0.000 3.283 527 C HA 0.578 5.042 4.460 0.007 0.000 0.359 527 C C -1.841 173.185 174.990 0.060 0.000 1.160 527 C CA -0.274 58.784 59.018 0.066 0.000 1.232 527 C CB 0.924 28.721 27.740 0.094 0.000 1.571 527 C HN 0.513 nan 8.230 nan 0.000 0.522 528 E N 1.199 121.428 120.200 0.049 0.000 2.299 528 E HA 0.526 4.880 4.350 0.007 0.000 0.260 528 E C -0.108 176.519 176.600 0.045 0.000 0.944 528 E CA -0.505 55.921 56.400 0.044 0.000 0.815 528 E CB 0.665 30.385 29.700 0.033 0.000 1.252 528 E HN 0.700 nan 8.360 nan 0.000 0.418 529 N N -0.827 117.900 118.700 0.044 0.000 2.725 529 N HA -0.166 4.578 4.740 0.007 0.000 0.251 529 N C -0.984 174.539 175.510 0.022 0.000 1.031 529 N CA -0.143 52.927 53.050 0.034 0.000 0.720 529 N CB -1.071 37.438 38.487 0.036 0.000 0.930 529 N HN 0.056 nan 8.380 nan 0.000 0.543 530 V N 1.485 121.412 119.914 0.022 0.000 2.521 530 V HA 0.075 4.200 4.120 0.007 0.000 0.286 530 V C 1.515 177.602 176.094 -0.011 0.000 1.034 530 V CA 0.409 62.733 62.300 0.040 0.000 1.045 530 V CB 0.796 32.675 31.823 0.093 0.000 0.974 530 V HN 0.376 nan 8.190 nan 0.000 0.480 531 I N 1.606 122.181 120.570 0.009 0.000 4.081 531 I HA 0.761 4.936 4.170 0.007 0.000 0.333 531 I C 0.705 176.815 176.117 -0.013 0.000 1.413 531 I CA 0.317 61.587 61.300 -0.051 0.000 1.110 531 I CB 0.422 38.388 38.000 -0.057 0.000 1.082 531 I HN 0.721 nan 8.210 nan 0.000 0.402 532 G N 1.475 110.355 108.800 0.133 0.000 2.373 532 G HA2 0.217 4.182 3.960 0.007 0.000 0.250 532 G HA3 0.217 4.182 3.960 0.007 0.000 0.250 532 G C -1.871 173.155 174.900 0.210 0.000 1.304 532 G CA -0.196 45.031 45.100 0.211 0.000 0.948 532 G HN 0.456 nan 8.290 nan 0.000 0.474 533 Y N -2.510 117.798 120.300 0.015 0.000 2.609 533 Y HA 0.852 5.406 4.550 0.007 0.000 0.336 533 Y C -0.802 175.052 175.900 -0.077 0.000 1.129 533 Y CA -1.824 56.195 58.100 -0.134 0.000 1.040 533 Y CB 1.844 40.020 38.460 -0.472 0.000 1.310 533 Y HN 0.804 nan 8.280 nan 0.000 0.460 534 M N 4.308 123.987 119.600 0.133 0.000 2.044 534 M HA 0.589 5.073 4.480 0.007 0.000 0.333 534 M C -2.969 173.413 176.300 0.137 0.000 1.004 534 M CA -2.896 52.452 55.300 0.079 0.000 0.954 534 M CB 0.850 33.477 32.600 0.044 0.000 1.468 534 M HN 0.483 nan 8.290 nan 0.000 0.414 535 P HA 0.258 nan 4.420 nan 0.000 0.276 535 P C -1.125 176.217 177.300 0.071 0.000 1.264 535 P CA -0.146 63.035 63.100 0.134 0.000 0.769 535 P CB 0.100 31.891 31.700 0.152 0.000 0.840 536 I N 5.543 126.147 120.570 0.055 0.000 2.336 536 I HA 0.289 4.463 4.170 0.007 0.000 0.292 536 I C -2.017 174.120 176.117 0.033 0.000 0.991 536 I CA -3.300 58.023 61.300 0.038 0.000 1.227 536 I CB 0.596 38.616 38.000 0.033 0.000 1.366 536 I HN 0.155 nan 8.210 nan 0.000 0.466 537 P HA 0.121 nan 4.420 nan 0.000 0.265 537 P C -0.555 176.758 177.300 0.021 0.000 1.193 537 P CA 0.017 63.131 63.100 0.024 0.000 0.765 537 P CB 0.615 32.325 31.700 0.018 0.000 0.823 538 V N 2.854 122.781 119.914 0.021 0.000 2.495 538 V HA 0.789 4.913 4.120 0.007 0.000 0.298 538 V C 0.640 176.744 176.094 0.018 0.000 1.031 538 V CA -0.263 62.048 62.300 0.020 0.000 0.871 538 V CB 1.829 33.664 31.823 0.020 0.000 0.988 538 V HN 0.789 nan 8.190 nan 0.000 0.432 539 G N 1.879 110.689 108.800 0.017 0.000 2.642 539 G HA2 0.635 4.599 3.960 0.007 0.000 0.293 539 G HA3 0.635 4.599 3.960 0.007 0.000 0.293 539 G C -1.724 173.187 174.900 0.018 0.000 1.341 539 G CA -0.702 44.407 45.100 0.016 0.000 0.916 539 G HN 0.636 nan 8.290 nan 0.000 0.474 540 V N 0.244 120.170 119.914 0.019 0.000 2.459 540 V HA 0.787 4.911 4.120 0.007 0.000 0.295 540 V C -0.015 176.094 176.094 0.024 0.000 1.029 540 V CA -0.432 61.882 62.300 0.024 0.000 0.874 540 V CB 1.165 33.003 31.823 0.025 0.000 0.985 540 V HN 1.316 nan 8.190 nan 0.000 0.438 541 A N 4.888 127.725 122.820 0.028 0.000 2.304 541 A HA 1.005 5.330 4.320 0.007 0.000 0.314 541 A C 0.162 177.770 177.584 0.041 0.000 1.187 541 A CA 0.280 52.335 52.037 0.029 0.000 0.810 541 A CB 1.057 20.071 19.000 0.023 0.000 1.183 541 A HN 1.931 nan 8.150 nan 0.000 0.487 542 G N 1.830 110.654 108.800 0.039 0.000 2.315 542 G HA2 0.538 4.502 3.960 0.007 0.000 0.294 542 G HA3 0.538 4.502 3.960 0.007 0.000 0.294 542 G C -3.432 171.488 174.900 0.034 0.000 1.300 542 G CA -0.593 44.536 45.100 0.048 0.000 0.843 542 G HN 0.598 nan 8.290 nan 0.000 0.527 543 P HA 0.397 nan 4.420 nan 0.000 0.271 543 P C -0.579 176.761 177.300 0.068 0.000 1.216 543 P CA -0.305 62.823 63.100 0.046 0.000 0.771 543 P CB 1.527 33.240 31.700 0.021 0.000 0.864 544 L N 5.201 126.494 121.223 0.116 0.000 2.261 544 L HA 0.256 4.600 4.340 0.007 0.000 0.289 544 L C -0.626 176.356 176.870 0.186 0.000 1.059 544 L CA -0.504 54.419 54.840 0.137 0.000 0.816 544 L CB -0.270 41.877 42.059 0.147 0.000 1.191 544 L HN 0.341 nan 8.230 nan 0.000 0.431 545 C N 6.530 125.901 119.300 0.118 0.000 2.289 545 C HA 0.506 4.971 4.460 0.007 0.000 0.340 545 C C 0.006 175.076 174.990 0.133 0.000 1.152 545 C CA -0.612 58.471 59.018 0.109 0.000 1.650 545 C CB -1.042 26.733 27.740 0.058 0.000 2.203 545 C HN 0.705 nan 8.230 nan 0.000 0.511 546 L N 4.496 125.853 121.223 0.223 0.000 2.404 546 L HA 0.455 4.799 4.340 0.007 0.000 0.272 546 L C -0.156 176.850 176.870 0.226 0.000 0.980 546 L CA 0.544 55.507 54.840 0.204 0.000 0.836 546 L CB 0.759 42.925 42.059 0.179 0.000 1.238 546 L HN 0.668 nan 8.230 nan 0.000 0.408 547 D N 4.406 124.882 120.400 0.127 0.000 2.689 547 D HA -0.238 4.407 4.640 0.007 0.000 0.237 547 D C 0.399 176.753 176.300 0.090 0.000 1.148 547 D CA 1.235 55.296 54.000 0.102 0.000 0.656 547 D CB -0.405 40.460 40.800 0.108 0.000 1.050 547 D HN 0.982 nan 8.370 nan 0.000 0.426 548 E N -2.780 117.460 120.200 0.068 0.000 3.916 548 E HA -0.268 4.086 4.350 0.007 0.000 0.331 548 E C 0.278 176.880 176.600 0.003 0.000 0.729 548 E CA 1.361 57.781 56.400 0.033 0.000 1.222 548 E CB -0.711 29.003 29.700 0.024 0.000 1.633 548 E HN 0.503 nan 8.360 nan 0.000 0.437 549 K N 0.565 120.969 120.400 0.008 0.000 2.211 549 K HA 0.491 4.815 4.320 0.007 0.000 0.237 549 K C -0.136 176.344 176.600 -0.201 0.000 1.002 549 K CA -0.551 55.645 56.287 -0.151 0.000 0.885 549 K CB 1.179 33.518 32.500 -0.268 0.000 1.136 549 K HN -0.016 nan 8.250 nan 0.000 0.448 550 E N 1.129 121.086 120.200 -0.404 0.000 2.222 550 E HA 0.355 4.709 4.350 0.007 0.000 0.267 550 E C -1.278 175.017 176.600 -0.509 0.000 0.884 550 E CA -0.561 55.676 56.400 -0.271 0.000 0.764 550 E CB 1.434 31.053 29.700 -0.136 0.000 1.169 550 E HN 0.250 nan 8.360 nan 0.000 0.413 551 F N 1.151 121.103 119.950 0.004 0.000 2.540 551 F HA 0.244 4.777 4.527 0.009 0.000 0.317 551 F C 0.224 176.027 175.800 0.005 0.000 1.104 551 F CA -0.997 57.006 58.000 0.005 0.000 0.913 551 F CB 1.792 40.796 39.000 0.006 0.000 1.170 551 F HN 0.096 nan 8.300 nan 0.000 0.450 552 Q N 3.219 123.119 119.800 0.166 0.000 2.431 552 Q HA 0.362 4.707 4.340 0.007 0.000 0.249 552 Q C -0.790 175.273 176.000 0.106 0.000 1.025 552 Q CA -0.493 55.371 55.803 0.102 0.000 0.835 552 Q CB 1.984 30.755 28.738 0.055 0.000 1.207 552 Q HN 0.399 nan 8.270 nan 0.000 0.490 553 V N 5.699 125.667 119.914 0.090 0.000 2.408 553 V HA 0.247 4.372 4.120 0.007 0.000 0.267 553 V C -1.896 174.224 176.094 0.043 0.000 1.047 553 V CA -1.506 60.833 62.300 0.065 0.000 0.937 553 V CB 0.865 32.714 31.823 0.043 0.000 0.999 553 V HN 0.527 nan 8.190 nan 0.000 0.472 554 P HA 0.416 nan 4.420 nan 0.000 0.279 554 P C -0.896 176.420 177.300 0.027 0.000 1.239 554 P CA -0.443 62.675 63.100 0.031 0.000 0.789 554 P CB 0.997 32.716 31.700 0.030 0.000 0.933 555 M N 1.889 121.502 119.600 0.022 0.000 2.122 555 M HA 0.398 4.882 4.480 0.007 0.000 0.269 555 M C -0.620 175.690 176.300 0.016 0.000 0.954 555 M CA -0.608 54.702 55.300 0.016 0.000 0.998 555 M CB 2.355 34.957 32.600 0.004 0.000 1.755 555 M HN 0.285 nan 8.290 nan 0.000 0.459 556 A N 2.496 125.329 122.820 0.022 0.000 2.310 556 A HA 0.692 5.016 4.320 0.007 0.000 0.300 556 A C -0.053 177.540 177.584 0.015 0.000 1.269 556 A CA -0.025 52.025 52.037 0.022 0.000 0.909 556 A CB 0.382 19.400 19.000 0.030 0.000 1.144 556 A HN 0.730 nan 8.150 nan 0.000 0.540 557 T N 0.332 114.893 114.554 0.012 0.000 2.853 557 T HA 0.529 4.883 4.350 0.007 0.000 0.311 557 T C 0.465 175.170 174.700 0.008 0.000 1.307 557 T CA 0.321 62.424 62.100 0.005 0.000 1.019 557 T CB 1.373 70.239 68.868 -0.003 0.000 1.264 557 T HN 0.985 nan 8.240 nan 0.000 0.497 558 T N -0.413 114.145 114.554 0.006 0.000 3.145 558 T HA 0.376 4.730 4.350 0.007 0.000 0.281 558 T C 0.267 174.970 174.700 0.006 0.000 1.003 558 T CA -0.315 61.789 62.100 0.007 0.000 0.901 558 T CB -0.015 68.857 68.868 0.007 0.000 1.112 558 T HN 0.589 nan 8.240 nan 0.000 0.535 559 E N 1.535 121.738 120.200 0.006 0.000 2.130 559 E HA 0.504 4.858 4.350 0.007 0.000 0.284 559 E C 0.570 177.178 176.600 0.013 0.000 1.018 559 E CA -0.732 55.673 56.400 0.009 0.000 0.817 559 E CB 0.469 30.175 29.700 0.011 0.000 1.078 559 E HN 0.483 nan 8.360 nan 0.000 0.396 560 G N 2.680 111.488 108.800 0.014 0.000 2.380 560 G HA2 0.055 4.019 3.960 0.007 0.000 0.242 560 G HA3 0.055 4.019 3.960 0.007 0.000 0.242 560 G C 0.518 175.431 174.900 0.022 0.000 1.298 560 G CA -0.005 45.104 45.100 0.016 0.000 0.878 560 G HN 0.943 nan 8.290 nan 0.000 0.542 561 C N 0.960 120.273 119.300 0.023 0.000 5.319 561 C HA -0.190 4.274 4.460 0.007 0.000 0.239 561 C C 2.319 177.332 174.990 0.039 0.000 1.472 561 C CA 0.579 59.614 59.018 0.029 0.000 1.403 561 C CB -2.036 25.723 27.740 0.031 0.000 2.126 561 C HN 0.866 nan 8.230 nan 0.000 0.613 562 L N 1.541 122.786 121.223 0.037 0.000 2.027 562 L HA -0.022 4.322 4.340 0.007 0.000 0.206 562 L C 2.262 179.148 176.870 0.027 0.000 1.074 562 L CA 2.667 57.531 54.840 0.040 0.000 0.745 562 L CB -0.624 41.441 42.059 0.010 0.000 0.898 562 L HN 0.317 nan 8.230 nan 0.000 0.433 563 V N 0.275 120.199 119.914 0.016 0.000 2.343 563 V HA -0.266 3.858 4.120 0.007 0.000 0.247 563 V C 2.821 178.927 176.094 0.020 0.000 1.051 563 V CA 1.585 63.893 62.300 0.014 0.000 1.036 563 V CB -1.479 30.351 31.823 0.012 0.000 0.654 563 V HN 0.615 nan 8.190 nan 0.000 0.451 564 A N -0.666 122.168 122.820 0.022 0.000 1.902 564 A HA -0.229 4.096 4.320 0.007 0.000 0.217 564 A C 2.560 180.161 177.584 0.027 0.000 1.181 564 A CA 2.172 54.221 52.037 0.021 0.000 0.623 564 A CB -0.818 18.192 19.000 0.018 0.000 0.818 564 A HN 0.468 nan 8.150 nan 0.000 0.443 565 S N -0.810 114.914 115.700 0.038 0.000 2.359 565 S HA -0.160 4.315 4.470 0.007 0.000 0.224 565 S C 2.060 176.691 174.600 0.053 0.000 1.035 565 S CA 2.320 60.550 58.200 0.051 0.000 1.018 565 S CB -0.602 62.649 63.200 0.085 0.000 0.876 565 S HN 0.637 nan 8.310 nan 0.000 0.448 566 T N 1.438 116.023 114.554 0.050 0.000 2.821 566 T HA -0.043 4.311 4.350 0.007 0.000 0.267 566 T C 1.708 176.426 174.700 0.030 0.000 1.046 566 T CA 1.457 63.581 62.100 0.039 0.000 1.139 566 T CB -0.620 68.256 68.868 0.014 0.000 0.871 566 T HN 0.533 nan 8.240 nan 0.000 0.454 567 N N 0.884 119.599 118.700 0.026 0.000 2.188 567 N HA -0.052 4.693 4.740 0.007 0.000 0.184 567 N C 1.945 177.468 175.510 0.022 0.000 1.018 567 N CA 0.841 53.905 53.050 0.024 0.000 0.858 567 N CB -0.067 38.433 38.487 0.021 0.000 0.989 567 N HN 0.249 nan 8.380 nan 0.000 0.426 568 R N -0.634 119.879 120.500 0.022 0.000 2.092 568 R HA -0.013 4.331 4.340 0.007 0.000 0.231 568 R C 2.037 178.347 176.300 0.018 0.000 1.119 568 R CA 1.338 57.449 56.100 0.017 0.000 0.970 568 R CB -0.487 29.822 30.300 0.015 0.000 0.864 568 R HN 0.317 nan 8.270 nan 0.000 0.440 569 G N 0.074 108.889 108.800 0.024 0.000 2.408 569 G HA2 -0.250 3.714 3.960 0.007 0.000 0.217 569 G HA3 -0.250 3.714 3.960 0.007 0.000 0.217 569 G C 1.509 176.421 174.900 0.020 0.000 1.150 569 G CA 0.863 45.977 45.100 0.022 0.000 0.776 569 G HN 0.392 nan 8.290 nan 0.000 0.542 570 C N 0.035 119.350 119.300 0.024 0.000 2.432 570 C HA 0.029 4.494 4.460 0.007 0.000 0.277 570 C C 2.836 177.841 174.990 0.025 0.000 1.249 570 C CA 0.988 60.023 59.018 0.028 0.000 1.725 570 C CB -0.709 27.052 27.740 0.034 0.000 2.028 570 C HN 0.523 nan 8.230 nan 0.000 0.477 571 R N 1.951 122.463 120.500 0.021 0.000 2.091 571 R HA -0.106 4.238 4.340 0.007 0.000 0.238 571 R C 2.073 178.381 176.300 0.015 0.000 1.136 571 R CA 2.304 58.414 56.100 0.017 0.000 0.959 571 R CB -0.815 29.493 30.300 0.014 0.000 0.856 571 R HN 0.450 nan 8.270 nan 0.000 0.437 572 A N 0.124 122.952 122.820 0.013 0.000 1.930 572 A HA -0.053 4.271 4.320 0.007 0.000 0.217 572 A C 2.320 179.911 177.584 0.011 0.000 1.175 572 A CA 1.539 53.582 52.037 0.010 0.000 0.627 572 A CB -0.512 18.493 19.000 0.007 0.000 0.815 572 A HN 0.390 nan 8.150 nan 0.000 0.443 573 I N -0.400 120.178 120.570 0.013 0.000 2.202 573 I HA -0.180 3.995 4.170 0.007 0.000 0.242 573 I C 2.693 178.823 176.117 0.020 0.000 1.091 573 I CA 1.153 62.462 61.300 0.014 0.000 1.368 573 I CB -0.510 37.500 38.000 0.017 0.000 1.058 573 I HN 0.390 nan 8.210 nan 0.000 0.410 574 G N 0.765 109.578 108.800 0.023 0.000 2.422 574 G HA2 -0.178 3.786 3.960 0.007 0.000 0.218 574 G HA3 -0.178 3.786 3.960 0.007 0.000 0.218 574 G C 1.665 176.576 174.900 0.018 0.000 1.146 574 G CA 0.451 45.565 45.100 0.023 0.000 0.769 574 G HN 0.286 nan 8.290 nan 0.000 0.547 575 L N 0.595 121.827 121.223 0.015 0.000 2.395 575 L HA 0.149 4.493 4.340 0.007 0.000 0.218 575 L C 2.452 179.331 176.870 0.015 0.000 1.130 575 L CA 0.515 55.363 54.840 0.013 0.000 0.826 575 L CB 0.077 42.142 42.059 0.011 0.000 0.941 575 L HN 0.290 nan 8.230 nan 0.000 0.451 576 G N -1.252 107.558 108.800 0.017 0.000 3.518 576 G HA2 0.358 4.322 3.960 0.007 0.000 0.273 576 G HA3 0.358 4.322 3.960 0.007 0.000 0.273 576 G C 1.113 176.027 174.900 0.023 0.000 1.199 576 G CA 0.331 45.443 45.100 0.019 0.000 0.899 576 G HN 0.383 nan 8.290 nan 0.000 0.533 577 G N -1.110 107.704 108.800 0.022 0.000 2.143 577 G HA2 0.229 4.193 3.960 0.007 0.000 0.249 577 G HA3 0.229 4.193 3.960 0.007 0.000 0.249 577 G C 1.058 175.975 174.900 0.028 0.000 0.981 577 G CA 0.522 45.637 45.100 0.024 0.000 0.665 577 G HN 2.119 nan 8.290 nan 0.000 0.528 578 G N -1.148 107.670 108.800 0.029 0.000 2.782 578 G HA2 0.427 4.391 3.960 0.007 0.000 0.228 578 G HA3 0.427 4.391 3.960 0.007 0.000 0.228 578 G C 0.150 175.071 174.900 0.036 0.000 1.372 578 G CA 0.865 45.987 45.100 0.036 0.000 0.862 578 G HN 2.316 nan 8.290 nan 0.000 0.547 579 A N -0.678 122.167 122.820 0.042 0.000 2.380 579 A HA 0.935 5.260 4.320 0.007 0.000 0.315 579 A C 0.123 177.732 177.584 0.041 0.000 1.101 579 A CA 0.574 52.630 52.037 0.032 0.000 0.771 579 A CB 1.808 20.820 19.000 0.019 0.000 1.287 579 A HN 1.879 nan 8.150 nan 0.000 0.436 580 S N 0.490 116.212 115.700 0.036 0.000 2.532 580 S HA 0.809 5.283 4.470 0.007 0.000 0.301 580 S C -0.130 174.486 174.600 0.027 0.000 1.083 580 S CA -0.308 57.915 58.200 0.039 0.000 1.025 580 S CB 1.513 64.740 63.200 0.045 0.000 1.056 580 S HN 1.408 nan 8.310 nan 0.000 0.494 581 S N 2.255 117.969 115.700 0.022 0.000 2.588 581 S HA 0.809 5.283 4.470 0.007 0.000 0.275 581 S C -1.485 173.120 174.600 0.009 0.000 1.130 581 S CA -1.096 57.109 58.200 0.009 0.000 0.855 581 S CB 1.539 64.734 63.200 -0.009 0.000 1.116 581 S HN 0.515 nan 8.310 nan 0.000 0.472 582 R N 0.868 121.369 120.500 0.003 0.000 2.673 582 R HA 0.529 4.874 4.340 0.007 0.000 0.281 582 R C -1.568 174.727 176.300 -0.008 0.000 0.991 582 R CA -0.753 55.348 56.100 0.000 0.000 0.896 582 R CB 1.903 32.204 30.300 0.002 0.000 1.201 582 R HN 0.619 nan 8.270 nan 0.000 0.457 583 V N 5.054 124.963 119.914 -0.009 0.000 2.368 583 V HA 0.178 4.302 4.120 0.007 0.000 0.266 583 V C 1.649 177.733 176.094 -0.016 0.000 1.045 583 V CA -0.116 62.176 62.300 -0.013 0.000 0.899 583 V CB 0.925 32.742 31.823 -0.011 0.000 1.006 583 V HN 0.624 nan 8.190 nan 0.000 0.470 584 L N 3.813 125.021 121.223 -0.025 0.000 2.270 584 L HA 0.401 4.745 4.340 0.007 0.000 0.210 584 L C 0.965 177.815 176.870 -0.034 0.000 1.104 584 L CA 0.957 55.778 54.840 -0.033 0.000 0.804 584 L CB -0.068 41.962 42.059 -0.047 0.000 0.937 584 L HN 0.747 nan 8.230 nan 0.000 0.450 585 A N -0.840 121.961 122.820 -0.031 0.000 2.608 585 A HA 0.588 4.912 4.320 0.007 0.000 0.292 585 A C -1.915 175.658 177.584 -0.018 0.000 1.066 585 A CA -0.456 51.564 52.037 -0.029 0.000 0.676 585 A CB 1.808 20.782 19.000 -0.044 0.000 1.277 585 A HN -0.037 nan 8.150 nan 0.000 0.413 586 D N -0.300 120.094 120.400 -0.010 0.000 2.764 586 D HA 0.572 5.216 4.640 0.007 0.000 0.227 586 D C -0.536 175.769 176.300 0.010 0.000 1.347 586 D CA 0.923 54.922 54.000 -0.001 0.000 0.953 586 D CB 1.610 42.410 40.800 0.000 0.000 1.476 586 D HN 1.556 nan 8.370 nan 0.000 0.585 587 G N 2.602 111.411 108.800 0.016 0.000 1.824 587 G HA2 0.344 4.308 3.960 0.007 0.000 0.294 587 G HA3 0.344 4.308 3.960 0.007 0.000 0.294 587 G C -0.834 174.091 174.900 0.042 0.000 1.796 587 G CA -0.917 44.203 45.100 0.033 0.000 0.919 587 G HN 0.367 nan 8.290 nan 0.000 0.595 588 M N 2.642 122.278 119.600 0.061 0.000 2.243 588 M HA 0.684 5.169 4.480 0.007 0.000 0.341 588 M C 0.814 177.179 176.300 0.107 0.000 1.130 588 M CA -0.104 55.241 55.300 0.075 0.000 1.162 588 M CB 0.775 33.421 32.600 0.077 0.000 1.497 588 M HN 0.824 nan 8.290 nan 0.000 0.456 589 T N 2.296 116.914 114.554 0.108 0.000 2.916 589 T HA 0.854 5.208 4.350 0.007 0.000 0.292 589 T C -0.899 173.905 174.700 0.174 0.000 1.055 589 T CA -1.031 61.154 62.100 0.143 0.000 1.009 589 T CB 1.643 70.567 68.868 0.094 0.000 1.118 589 T HN 0.792 nan 8.240 nan 0.000 0.497 590 R N -0.061 120.589 120.500 0.251 0.000 2.564 590 R HA 0.645 4.990 4.340 0.007 0.000 0.284 590 R C -0.386 176.134 176.300 0.365 0.000 1.031 590 R CA -0.335 55.922 56.100 0.262 0.000 0.904 590 R CB 1.803 32.245 30.300 0.236 0.000 1.199 590 R HN 1.087 nan 8.270 nan 0.000 0.443 591 G N 5.234 114.232 108.800 0.330 0.000 4.487 591 G HA2 0.315 4.280 3.960 0.007 0.000 0.339 591 G HA3 0.315 4.280 3.960 0.007 0.000 0.339 591 G C -2.513 172.624 174.900 0.394 0.000 1.482 591 G CA -1.207 44.151 45.100 0.429 0.000 1.069 591 G HN 0.438 nan 8.290 nan 0.000 0.515 592 P HA 0.167 nan 4.420 nan 0.000 0.271 592 P C -0.190 177.215 177.300 0.174 0.000 1.233 592 P CA -0.193 63.052 63.100 0.243 0.000 0.789 592 P CB 2.145 33.980 31.700 0.225 0.000 0.951 593 V N 2.425 122.368 119.914 0.048 0.000 2.448 593 V HA 0.447 4.571 4.120 0.007 0.000 0.295 593 V C -0.183 175.814 176.094 -0.161 0.000 1.025 593 V CA -0.712 61.456 62.300 -0.221 0.000 0.859 593 V CB 1.322 32.978 31.823 -0.279 0.000 0.988 593 V HN 0.451 nan 8.190 nan 0.000 0.431 594 V N 5.225 125.015 119.914 -0.206 0.000 3.019 594 V HA 0.804 4.928 4.120 0.007 0.000 0.317 594 V C -0.555 175.440 176.094 -0.165 0.000 1.094 594 V CA -1.006 61.222 62.300 -0.120 0.000 1.000 594 V CB 2.197 33.991 31.823 -0.048 0.000 1.060 594 V HN 0.906 nan 8.190 nan 0.000 0.443 595 R N 2.063 122.504 120.500 -0.098 0.000 2.686 595 R HA 0.685 5.029 4.340 0.007 0.000 0.283 595 R C -1.687 174.578 176.300 -0.058 0.000 0.978 595 R CA -0.809 55.236 56.100 -0.091 0.000 0.897 595 R CB 2.147 32.407 30.300 -0.066 0.000 1.192 595 R HN 0.559 nan 8.270 nan 0.000 0.457 596 L N 2.242 123.428 121.223 -0.062 0.000 2.313 596 L HA 0.425 4.770 4.340 0.007 0.000 0.268 596 L C -1.513 175.341 176.870 -0.026 0.000 1.010 596 L CA -2.412 52.404 54.840 -0.041 0.000 0.814 596 L CB 1.553 43.578 42.059 -0.058 0.000 1.304 596 L HN 0.274 nan 8.230 nan 0.000 0.441 597 P HA -0.061 nan 4.420 nan 0.000 0.217 597 P C -0.234 177.060 177.300 -0.010 0.000 1.148 597 P CA 1.492 64.587 63.100 -0.007 0.000 0.828 597 P CB 0.345 32.045 31.700 -0.000 0.000 0.783 598 R N -2.833 117.659 120.500 -0.013 0.000 2.808 598 R HA 0.598 4.942 4.340 0.007 0.000 0.272 598 R C 0.858 177.145 176.300 -0.022 0.000 0.995 598 R CA -0.456 55.636 56.100 -0.013 0.000 0.917 598 R CB 1.079 31.376 30.300 -0.005 0.000 1.217 598 R HN -0.226 nan 8.270 nan 0.000 0.471 599 A N 0.434 123.243 122.820 -0.019 0.000 1.978 599 A HA -0.149 4.175 4.320 0.007 0.000 0.220 599 A C 1.683 179.253 177.584 -0.024 0.000 1.170 599 A CA 1.531 53.554 52.037 -0.024 0.000 0.636 599 A CB -0.677 18.314 19.000 -0.015 0.000 0.810 599 A HN 0.782 nan 8.150 nan 0.000 0.448 600 C N -0.289 119.004 119.300 -0.012 0.000 2.435 600 C HA -0.059 4.405 4.460 0.007 0.000 0.279 600 C C 2.201 177.187 174.990 -0.006 0.000 1.321 600 C CA 0.912 59.927 59.018 -0.005 0.000 1.752 600 C CB -1.034 26.709 27.740 0.005 0.000 1.959 600 C HN 0.605 nan 8.230 nan 0.000 0.500 601 D N 1.155 121.548 120.400 -0.012 0.000 2.149 601 D HA -0.075 4.569 4.640 0.007 0.000 0.201 601 D C 2.294 178.544 176.300 -0.084 0.000 0.972 601 D CA 1.734 55.725 54.000 -0.016 0.000 0.835 601 D CB -0.540 40.258 40.800 -0.003 0.000 0.966 601 D HN 0.612 nan 8.370 nan 0.000 0.476 602 S N 0.855 116.500 115.700 -0.091 0.000 2.406 602 S HA 0.007 4.482 4.470 0.007 0.000 0.228 602 S C 2.156 176.685 174.600 -0.120 0.000 1.020 602 S CA 0.875 58.995 58.200 -0.134 0.000 0.965 602 S CB -0.202 62.931 63.200 -0.112 0.000 0.798 602 S HN 0.225 nan 8.310 nan 0.000 0.488 603 A N 1.601 124.379 122.820 -0.071 0.000 1.969 603 A HA -0.033 4.291 4.320 0.007 0.000 0.218 603 A C 2.177 179.742 177.584 -0.032 0.000 1.169 603 A CA 1.343 53.353 52.037 -0.044 0.000 0.635 603 A CB -0.638 18.350 19.000 -0.020 0.000 0.810 603 A HN 0.619 nan 8.150 nan 0.000 0.445 604 E N -0.220 119.961 120.200 -0.032 0.000 2.072 604 E HA -0.120 4.234 4.350 0.007 0.000 0.191 604 E C 1.909 178.464 176.600 -0.076 0.000 0.985 604 E CA 1.382 57.794 56.400 0.019 0.000 0.801 604 E CB -0.060 29.694 29.700 0.090 0.000 0.750 604 E HN 0.377 nan 8.360 nan 0.000 0.452 605 V N 1.557 121.260 119.914 -0.351 0.000 2.427 605 V HA -0.224 3.901 4.120 0.007 0.000 0.248 605 V C 2.455 178.450 176.094 -0.165 0.000 1.051 605 V CA 1.616 63.553 62.300 -0.605 0.000 1.048 605 V CB -0.442 30.955 31.823 -0.711 0.000 0.666 605 V HN 0.214 nan 8.190 nan 0.000 0.456 606 K N 0.358 120.696 120.400 -0.103 0.000 2.057 606 K HA -0.149 4.175 4.320 0.007 0.000 0.206 606 K C 2.239 178.849 176.600 0.017 0.000 1.050 606 K CA 1.535 57.796 56.287 -0.043 0.000 0.935 606 K CB -0.276 32.188 32.500 -0.059 0.000 0.715 606 K HN 0.422 nan 8.250 nan 0.000 0.439 607 A N 0.393 123.237 122.820 0.041 0.000 1.902 607 A HA -0.202 4.122 4.320 0.007 0.000 0.217 607 A C 1.923 179.583 177.584 0.127 0.000 1.181 607 A CA 1.419 53.497 52.037 0.069 0.000 0.623 607 A CB -1.019 18.029 19.000 0.080 0.000 0.818 607 A HN 0.679 nan 8.150 nan 0.000 0.443 608 W N 0.497 121.805 121.300 0.013 0.000 2.358 608 W HA -0.112 4.552 4.660 0.007 0.000 0.303 608 W C 1.702 178.246 176.519 0.041 0.000 1.208 608 W CA 1.801 59.191 57.345 0.074 0.000 1.274 608 W CB -0.200 29.397 29.460 0.228 0.000 1.138 608 W HN 0.249 nan 8.180 nan 0.000 0.515 609 L N 0.214 121.607 121.223 0.284 0.000 2.275 609 L HA -0.139 4.205 4.340 0.007 0.000 0.215 609 L C 2.069 178.947 176.870 0.014 0.000 1.119 609 L CA 1.271 56.209 54.840 0.164 0.000 0.790 609 L CB -0.612 41.547 42.059 0.167 0.000 0.919 609 L HN 0.030 nan 8.230 nan 0.000 0.443 610 E N -0.605 119.580 120.200 -0.026 0.000 2.299 610 E HA -0.040 4.314 4.350 0.007 0.000 0.193 610 E C 0.863 177.399 176.600 -0.106 0.000 0.998 610 E CA 0.425 56.780 56.400 -0.075 0.000 0.851 610 E CB 0.205 29.874 29.700 -0.052 0.000 0.795 610 E HN 0.474 nan 8.360 nan 0.000 0.492 611 T N -0.837 113.636 114.554 -0.136 0.000 2.900 611 T HA 0.014 4.368 4.350 0.007 0.000 0.307 611 T C 1.454 176.065 174.700 -0.149 0.000 1.065 611 T CA 0.035 62.039 62.100 -0.160 0.000 1.105 611 T CB 1.614 70.347 68.868 -0.225 0.000 0.979 611 T HN 0.018 nan 8.240 nan 0.000 0.544 612 S N 1.011 116.649 115.700 -0.103 0.000 2.399 612 S HA -0.171 4.303 4.470 0.007 0.000 0.231 612 S C 1.708 176.281 174.600 -0.045 0.000 1.022 612 S CA 0.896 59.073 58.200 -0.038 0.000 0.983 612 S CB -0.532 62.650 63.200 -0.030 0.000 0.803 612 S HN 0.900 nan 8.310 nan 0.000 0.480 613 E N 1.411 121.520 120.200 -0.152 0.000 2.122 613 E HA 0.071 4.425 4.350 0.007 0.000 0.190 613 E C 2.229 178.600 176.600 -0.381 0.000 0.977 613 E CA 0.945 57.230 56.400 -0.193 0.000 0.820 613 E CB -1.116 28.488 29.700 -0.159 0.000 0.770 613 E HN 0.571 nan 8.360 nan 0.000 0.462 614 G N 1.042 109.414 108.800 -0.713 0.000 2.408 614 G HA2 -0.263 3.701 3.960 0.007 0.000 0.217 614 G HA3 -0.263 3.701 3.960 0.007 0.000 0.217 614 G C 1.323 175.823 174.900 -0.667 0.000 1.150 614 G CA 0.651 44.876 45.100 -1.458 0.000 0.776 614 G HN 0.312 nan 8.290 nan 0.000 0.542 615 F N 2.340 122.040 119.950 -0.417 0.000 2.325 615 F HA 0.253 4.784 4.527 0.007 0.000 0.299 615 F C 2.592 178.335 175.800 -0.095 0.000 1.090 615 F CA 0.869 58.762 58.000 -0.177 0.000 1.392 615 F CB -0.044 38.872 39.000 -0.139 0.000 1.053 615 F HN 0.205 nan 8.300 nan 0.000 0.521 616 A N -0.248 122.448 122.820 -0.206 0.000 1.930 616 A HA -0.073 4.251 4.320 0.007 0.000 0.217 616 A C 2.270 179.749 177.584 -0.176 0.000 1.175 616 A CA 1.770 53.680 52.037 -0.212 0.000 0.627 616 A CB -1.245 17.708 19.000 -0.079 0.000 0.815 616 A HN 0.248 nan 8.150 nan 0.000 0.443 617 V N 0.443 120.288 119.914 -0.115 0.000 2.379 617 V HA -0.179 3.946 4.120 0.007 0.000 0.245 617 V C 2.358 178.492 176.094 0.067 0.000 1.044 617 V CA 1.450 63.765 62.300 0.024 0.000 1.036 617 V CB -0.534 31.358 31.823 0.115 0.000 0.664 617 V HN 0.494 nan 8.190 nan 0.000 0.453 618 I N 0.315 120.910 120.570 0.043 0.000 2.315 618 I HA -0.186 3.988 4.170 0.007 0.000 0.248 618 I C 2.371 178.505 176.117 0.029 0.000 1.117 618 I CA 1.588 62.965 61.300 0.128 0.000 1.404 618 I CB -1.129 37.001 38.000 0.217 0.000 1.071 618 I HN 0.372 nan 8.210 nan 0.000 0.419 619 K N 1.133 121.379 120.400 -0.257 0.000 2.097 619 K HA -0.210 4.114 4.320 0.007 0.000 0.205 619 K C 2.100 178.682 176.600 -0.030 0.000 1.050 619 K CA 1.399 57.521 56.287 -0.274 0.000 0.938 619 K CB -0.002 32.126 32.500 -0.620 0.000 0.718 619 K HN 0.249 nan 8.250 nan 0.000 0.442 620 E N -0.232 119.952 120.200 -0.026 0.000 2.072 620 E HA -0.178 4.177 4.350 0.007 0.000 0.191 620 E C 1.732 178.378 176.600 0.076 0.000 0.985 620 E CA 1.011 57.429 56.400 0.031 0.000 0.801 620 E CB -0.086 29.630 29.700 0.028 0.000 0.750 620 E HN 0.447 nan 8.360 nan 0.000 0.452 621 A N 0.301 123.184 122.820 0.105 0.000 1.930 621 A HA -0.133 4.191 4.320 0.007 0.000 0.217 621 A C 1.929 179.579 177.584 0.111 0.000 1.175 621 A CA 0.884 52.985 52.037 0.107 0.000 0.627 621 A CB -0.706 18.375 19.000 0.134 0.000 0.815 621 A HN 0.473 nan 8.150 nan 0.000 0.443 622 F N 0.962 120.921 119.950 0.015 0.000 2.113 622 F HA -0.136 4.395 4.527 0.007 0.000 0.297 622 F C 1.412 177.219 175.800 0.011 0.000 1.103 622 F CA 1.887 59.893 58.000 0.009 0.000 1.248 622 F CB 0.063 39.094 39.000 0.051 0.000 0.999 622 F HN 0.210 nan 8.300 nan 0.000 0.475 623 D N -0.562 120.008 120.400 0.283 0.000 2.347 623 D HA -0.090 4.554 4.640 0.007 0.000 0.215 623 D C 2.365 178.699 176.300 0.058 0.000 0.976 623 D CA 1.135 55.247 54.000 0.188 0.000 0.884 623 D CB -0.341 40.550 40.800 0.152 0.000 0.915 623 D HN 0.353 nan 8.370 nan 0.000 0.526 624 S N -0.414 115.302 115.700 0.026 0.000 2.489 624 S HA -0.100 4.375 4.470 0.007 0.000 0.228 624 S C 1.860 176.435 174.600 -0.041 0.000 0.995 624 S CA 1.178 59.375 58.200 -0.006 0.000 0.934 624 S CB -0.535 62.666 63.200 0.003 0.000 0.771 624 S HN 0.268 nan 8.310 nan 0.000 0.522 625 T N -1.597 112.906 114.554 -0.084 0.000 3.088 625 T HA 0.305 4.660 4.350 0.007 0.000 0.259 625 T C 0.647 175.294 174.700 -0.089 0.000 1.122 625 T CA 0.422 62.454 62.100 -0.113 0.000 1.095 625 T CB -0.177 68.569 68.868 -0.203 0.000 0.930 625 T HN 0.428 nan 8.240 nan 0.000 0.508 626 S N 0.247 115.907 115.700 -0.068 0.000 2.597 626 S HA 0.333 4.808 4.470 0.007 0.000 0.274 626 S C 0.458 175.021 174.600 -0.061 0.000 1.132 626 S CA -0.786 57.383 58.200 -0.052 0.000 0.835 626 S CB 1.281 64.479 63.200 -0.004 0.000 1.092 626 S HN 0.426 nan 8.310 nan 0.000 0.457 627 R N 1.236 121.633 120.500 -0.172 0.000 2.236 627 R HA 0.150 4.494 4.340 0.007 0.000 0.208 627 R C 0.861 177.018 176.300 -0.238 0.000 1.036 627 R CA 1.150 57.100 56.100 -0.250 0.000 1.001 627 R CB -0.506 29.564 30.300 -0.384 0.000 0.896 627 R HN 0.583 nan 8.270 nan 0.000 0.464 628 F N 1.781 121.755 119.950 0.040 0.000 2.664 628 F HA 0.287 4.819 4.527 0.008 0.000 0.296 628 F C 1.286 177.145 175.800 0.098 0.000 1.125 628 F CA -0.210 57.824 58.000 0.057 0.000 1.444 628 F CB 0.240 39.268 39.000 0.046 0.000 1.114 628 F HN 0.034 nan 8.300 nan 0.000 0.576 629 A N 1.880 124.858 122.820 0.264 0.000 2.489 629 A HA 0.245 4.569 4.320 0.007 0.000 0.289 629 A C 0.271 178.042 177.584 0.311 0.000 1.216 629 A CA 0.032 52.270 52.037 0.336 0.000 0.883 629 A CB -0.432 18.715 19.000 0.244 0.000 1.110 629 A HN 0.383 nan 8.150 nan 0.000 0.523 630 R N 3.410 124.072 120.500 0.270 0.000 2.412 630 R HA 0.443 4.788 4.340 0.007 0.000 0.304 630 R C -1.199 175.160 176.300 0.099 0.000 1.066 630 R CA -0.673 55.528 56.100 0.169 0.000 0.923 630 R CB 0.593 30.972 30.300 0.133 0.000 1.156 630 R HN 0.621 nan 8.270 nan 0.000 0.513 631 L N 3.864 125.089 121.223 0.004 0.000 2.410 631 L HA 0.173 4.517 4.340 0.007 0.000 0.273 631 L C -0.132 176.780 176.870 0.070 0.000 1.144 631 L CA 0.714 55.455 54.840 -0.165 0.000 0.863 631 L CB 0.981 42.812 42.059 -0.380 0.000 1.140 631 L HN 0.693 nan 8.230 nan 0.000 0.463 632 Q N 2.894 122.728 119.800 0.056 0.000 2.177 632 Q HA 0.292 4.636 4.340 0.007 0.000 0.183 632 Q C -0.342 175.709 176.000 0.084 0.000 1.040 632 Q CA -0.912 54.940 55.803 0.082 0.000 1.089 632 Q CB 0.526 29.276 28.738 0.020 0.000 1.130 632 Q HN 0.440 nan 8.270 nan 0.000 0.575 633 K N 0.720 121.077 120.400 -0.072 0.000 2.448 633 K HA 0.062 4.386 4.320 0.007 0.000 0.278 633 K C -0.861 175.652 176.600 -0.145 0.000 1.009 633 K CA -0.099 56.036 56.287 -0.255 0.000 0.995 633 K CB 0.128 32.487 32.500 -0.234 0.000 0.917 633 K HN 0.192 nan 8.250 nan 0.000 0.481 634 L N 3.488 124.594 121.223 -0.195 0.000 2.319 634 L HA 0.147 4.491 4.340 0.007 0.000 0.280 634 L C -0.524 176.338 176.870 -0.014 0.000 1.099 634 L CA 0.054 54.843 54.840 -0.084 0.000 0.828 634 L CB 0.289 42.309 42.059 -0.066 0.000 1.150 634 L HN 0.536 nan 8.230 nan 0.000 0.442 635 H N 2.111 121.139 119.070 -0.070 0.000 2.476 635 H HA 0.645 5.206 4.556 0.008 0.000 0.328 635 H C -0.406 174.982 175.328 0.099 0.000 1.073 635 H CA -0.238 55.815 56.048 0.009 0.000 1.229 635 H CB 0.974 30.747 29.762 0.019 0.000 1.432 635 H HN 0.747 nan 8.280 nan 0.000 0.477 636 T N 1.099 115.480 114.554 -0.288 0.000 2.907 636 T HA 0.666 5.021 4.350 0.007 0.000 0.290 636 T C -0.682 173.837 174.700 -0.302 0.000 1.066 636 T CA -1.029 60.944 62.100 -0.211 0.000 1.012 636 T CB 1.631 70.412 68.868 -0.144 0.000 1.184 636 T HN 0.521 nan 8.240 nan 0.000 0.522 637 S N 0.211 115.763 115.700 -0.247 0.000 2.563 637 S HA 0.566 5.040 4.470 0.007 0.000 0.279 637 S C -1.602 172.939 174.600 -0.098 0.000 1.155 637 S CA -0.886 57.197 58.200 -0.195 0.000 0.928 637 S CB 0.725 63.775 63.200 -0.249 0.000 1.107 637 S HN 0.807 nan 8.310 nan 0.000 0.462 638 I N 3.420 123.961 120.570 -0.048 0.000 2.412 638 I HA 0.707 4.881 4.170 0.007 0.000 0.296 638 I C 0.093 176.230 176.117 0.033 0.000 0.987 638 I CA -0.629 60.662 61.300 -0.015 0.000 1.180 638 I CB 1.852 39.829 38.000 -0.038 0.000 1.340 638 I HN 0.845 nan 8.210 nan 0.000 0.455 639 A N 5.151 128.016 122.820 0.076 0.000 2.763 639 A HA 0.675 5.000 4.320 0.007 0.000 0.325 639 A C 0.347 177.957 177.584 0.044 0.000 1.209 639 A CA 0.145 52.232 52.037 0.083 0.000 0.764 639 A CB 0.320 19.424 19.000 0.174 0.000 1.120 639 A HN 1.075 nan 8.150 nan 0.000 0.463 640 G N 2.848 111.658 108.800 0.015 0.000 2.561 640 G HA2 -0.373 3.591 3.960 0.007 0.000 0.289 640 G HA3 -0.373 3.591 3.960 0.007 0.000 0.289 640 G C 1.093 175.982 174.900 -0.018 0.000 1.169 640 G CA 0.765 45.865 45.100 0.001 0.000 0.980 640 G HN 1.556 nan 8.290 nan 0.000 0.550 641 R N 1.386 121.871 120.500 -0.025 0.000 2.310 641 R HA 0.166 4.510 4.340 0.007 0.000 0.202 641 R C 0.283 176.534 176.300 -0.082 0.000 0.933 641 R CA 0.485 56.558 56.100 -0.046 0.000 1.054 641 R CB -0.259 30.021 30.300 -0.034 0.000 0.985 641 R HN 0.396 nan 8.270 nan 0.000 0.489 642 N N 1.480 120.125 118.700 -0.091 0.000 2.503 642 N HA 0.203 4.947 4.740 0.007 0.000 0.267 642 N C -1.106 174.249 175.510 -0.257 0.000 1.214 642 N CA -0.360 52.565 53.050 -0.210 0.000 0.959 642 N CB 1.272 39.629 38.487 -0.217 0.000 1.142 642 N HN 0.114 nan 8.380 nan 0.000 0.455 643 L N 2.159 123.124 121.223 -0.430 0.000 2.491 643 L HA 0.380 4.725 4.340 0.007 0.000 0.267 643 L C -1.910 174.666 176.870 -0.490 0.000 0.971 643 L CA -0.584 54.052 54.840 -0.340 0.000 0.857 643 L CB 0.601 42.531 42.059 -0.215 0.000 1.226 643 L HN 0.413 nan 8.230 nan 0.000 0.408 644 Y N 5.727 125.860 120.300 -0.279 0.000 2.326 644 Y HA 0.641 5.197 4.550 0.009 0.000 0.337 644 Y C 0.009 175.739 175.900 -0.283 0.000 1.023 644 Y CA -0.373 57.505 58.100 -0.371 0.000 1.143 644 Y CB 1.216 39.153 38.460 -0.871 0.000 1.183 644 Y HN 0.405 nan 8.280 nan 0.000 0.485 645 I N 4.039 124.654 120.570 0.074 0.000 2.418 645 I HA 0.389 4.564 4.170 0.007 0.000 0.287 645 I C -0.283 175.929 176.117 0.158 0.000 1.008 645 I CA -0.785 60.525 61.300 0.016 0.000 1.104 645 I CB 1.698 39.626 38.000 -0.119 0.000 1.264 645 I HN 0.457 nan 8.210 nan 0.000 0.438 646 R N 6.098 126.695 120.500 0.162 0.000 2.230 646 R HA 0.432 4.776 4.340 0.007 0.000 0.337 646 R C -1.311 174.998 176.300 0.015 0.000 1.063 646 R CA -0.500 55.724 56.100 0.206 0.000 0.935 646 R CB 0.342 30.771 30.300 0.215 0.000 1.121 646 R HN 0.348 nan 8.270 nan 0.000 0.486 647 F N 2.504 122.548 119.950 0.156 0.000 2.438 647 F HA 0.221 4.752 4.527 0.007 0.000 0.356 647 F C 0.661 176.485 175.800 0.039 0.000 1.099 647 F CA 0.042 58.085 58.000 0.071 0.000 1.185 647 F CB 1.219 40.304 39.000 0.143 0.000 1.115 647 F HN 0.369 nan 8.300 nan 0.000 0.526 648 Q N 2.483 122.341 119.800 0.097 0.000 2.375 648 Q HA 0.671 5.016 4.340 0.007 0.000 0.271 648 Q C -1.172 174.838 176.000 0.017 0.000 1.074 648 Q CA -0.616 55.230 55.803 0.071 0.000 0.808 648 Q CB 2.123 30.883 28.738 0.038 0.000 1.327 648 Q HN 0.719 nan 8.270 nan 0.000 0.441 649 S N 2.641 118.389 115.700 0.081 0.000 2.558 649 S HA 0.432 4.907 4.470 0.007 0.000 0.277 649 S C -1.397 173.279 174.600 0.126 0.000 1.143 649 S CA -0.787 57.475 58.200 0.104 0.000 0.865 649 S CB 1.196 64.503 63.200 0.178 0.000 1.102 649 S HN 0.755 nan 8.310 nan 0.000 0.454 650 R N 1.235 121.801 120.500 0.110 0.000 2.784 650 R HA 0.371 4.715 4.340 0.007 0.000 0.266 650 R C 0.515 176.881 176.300 0.109 0.000 1.044 650 R CA 0.640 56.791 56.100 0.086 0.000 1.151 650 R CB 0.450 30.795 30.300 0.076 0.000 1.037 650 R HN 0.799 nan 8.270 nan 0.000 0.478 651 S N -0.492 115.221 115.700 0.023 0.000 3.073 651 S HA 0.248 4.723 4.470 0.007 0.000 0.252 651 S C 0.762 175.179 174.600 -0.304 0.000 0.953 651 S CA -0.248 57.937 58.200 -0.026 0.000 1.105 651 S CB 0.789 63.987 63.200 -0.003 0.000 1.070 651 S HN 1.074 nan 8.310 nan 0.000 0.574 652 G N 3.033 111.569 108.800 -0.440 0.000 2.583 652 G HA2 -0.325 3.639 3.960 0.007 0.000 0.292 652 G HA3 -0.325 3.639 3.960 0.007 0.000 0.292 652 G C 0.114 174.776 174.900 -0.397 0.000 1.203 652 G CA 0.748 45.388 45.100 -0.768 0.000 0.987 652 G HN 0.445 nan 8.290 nan 0.000 0.554 653 D N 1.834 122.001 120.400 -0.388 0.000 2.339 653 D HA 0.391 5.036 4.640 0.007 0.000 0.217 653 D C 1.461 177.661 176.300 -0.166 0.000 1.050 653 D CA 0.823 54.700 54.000 -0.205 0.000 0.856 653 D CB 0.138 40.848 40.800 -0.151 0.000 0.922 653 D HN 0.755 nan 8.370 nan 0.000 0.518 654 A N 1.117 123.820 122.820 -0.195 0.000 2.351 654 A HA 0.148 4.473 4.320 0.007 0.000 0.257 654 A C 1.339 178.870 177.584 -0.088 0.000 1.087 654 A CA -0.330 51.635 52.037 -0.119 0.000 0.798 654 A CB 0.852 19.794 19.000 -0.097 0.000 1.033 654 A HN 0.014 nan 8.150 nan 0.000 0.488 655 M N 1.406 120.968 119.600 -0.063 0.000 2.159 655 M HA -0.021 4.464 4.480 0.007 0.000 0.263 655 M C 1.296 177.590 176.300 -0.011 0.000 1.063 655 M CA 2.464 57.739 55.300 -0.041 0.000 1.110 655 M CB -0.691 31.884 32.600 -0.043 0.000 1.374 655 M HN 1.679 nan 8.290 nan 0.000 0.411 656 G N -0.282 108.515 108.800 -0.006 0.000 2.144 656 G HA2 -0.220 3.744 3.960 0.007 0.000 0.218 656 G HA3 -0.220 3.744 3.960 0.007 0.000 0.218 656 G C 0.756 175.681 174.900 0.042 0.000 0.988 656 G CA 0.518 45.630 45.100 0.020 0.000 0.659 656 G HN 0.426 nan 8.290 nan 0.000 0.522 657 M N 0.195 119.815 119.600 0.033 0.000 2.175 657 M HA -0.033 4.451 4.480 0.007 0.000 0.264 657 M C 2.314 178.633 176.300 0.032 0.000 1.063 657 M CA 1.527 56.853 55.300 0.043 0.000 1.119 657 M CB -0.587 32.036 32.600 0.037 0.000 1.377 657 M HN 0.384 nan 8.290 nan 0.000 0.415 658 N N 0.010 118.721 118.700 0.018 0.000 2.250 658 N HA -0.090 4.655 4.740 0.007 0.000 0.181 658 N C 1.776 177.279 175.510 -0.012 0.000 1.017 658 N CA 0.925 53.977 53.050 0.003 0.000 0.866 658 N CB -0.204 38.284 38.487 0.002 0.000 0.985 658 N HN 0.348 nan 8.380 nan 0.000 0.429 659 M N 1.157 120.759 119.600 0.004 0.000 2.117 659 M HA -0.078 4.406 4.480 0.007 0.000 0.262 659 M C 1.669 177.937 176.300 -0.053 0.000 1.065 659 M CA 1.241 56.537 55.300 -0.007 0.000 1.114 659 M CB -0.128 32.503 32.600 0.052 0.000 1.361 659 M HN -0.014 nan 8.290 nan 0.000 0.408 660 I N -0.444 120.143 120.570 0.029 0.000 2.353 660 I HA -0.176 3.999 4.170 0.007 0.000 0.248 660 I C 2.288 178.401 176.117 -0.006 0.000 1.119 660 I CA 0.994 62.357 61.300 0.104 0.000 1.417 660 I CB -1.329 36.801 38.000 0.217 0.000 1.078 660 I HN 0.255 nan 8.210 nan 0.000 0.421 661 S N 0.557 116.245 115.700 -0.021 0.000 2.406 661 S HA -0.161 4.314 4.470 0.007 0.000 0.228 661 S C 2.003 176.531 174.600 -0.119 0.000 1.020 661 S CA 1.100 59.273 58.200 -0.045 0.000 0.965 661 S CB -0.030 63.163 63.200 -0.012 0.000 0.798 661 S HN 0.382 nan 8.310 nan 0.000 0.488 662 K N 1.121 121.432 120.400 -0.148 0.000 2.031 662 K HA -0.037 4.287 4.320 0.007 0.000 0.205 662 K C 2.245 178.662 176.600 -0.304 0.000 1.049 662 K CA 1.237 57.416 56.287 -0.180 0.000 0.939 662 K CB -0.602 31.810 32.500 -0.146 0.000 0.717 662 K HN 0.334 nan 8.250 nan 0.000 0.438 663 G N -0.256 108.223 108.800 -0.536 0.000 2.432 663 G HA2 -0.217 3.747 3.960 0.007 0.000 0.219 663 G HA3 -0.217 3.747 3.960 0.007 0.000 0.219 663 G C 1.367 175.844 174.900 -0.706 0.000 1.135 663 G CA 1.368 45.851 45.100 -1.028 0.000 0.767 663 G HN 0.344 nan 8.290 nan 0.000 0.550 664 T N 0.577 114.860 114.554 -0.452 0.000 2.777 664 T HA -0.033 4.321 4.350 0.007 0.000 0.266 664 T C 2.158 176.658 174.700 -0.332 0.000 1.040 664 T CA 1.316 63.126 62.100 -0.483 0.000 1.141 664 T CB -0.108 68.536 68.868 -0.373 0.000 0.868 664 T HN 0.433 nan 8.240 nan 0.000 0.444 665 E N 0.423 120.497 120.200 -0.210 0.000 2.150 665 E HA -0.100 4.254 4.350 0.007 0.000 0.193 665 E C 2.208 178.752 176.600 -0.093 0.000 0.985 665 E CA 0.827 57.153 56.400 -0.123 0.000 0.814 665 E CB 0.013 29.655 29.700 -0.097 0.000 0.752 665 E HN 0.188 nan 8.360 nan 0.000 0.466 666 K N 0.662 120.994 120.400 -0.113 0.000 2.076 666 K HA 0.009 4.333 4.320 0.007 0.000 0.204 666 K C 1.811 178.420 176.600 0.014 0.000 1.051 666 K CA 1.025 57.279 56.287 -0.055 0.000 0.949 666 K CB -0.130 32.322 32.500 -0.079 0.000 0.726 666 K HN 0.064 nan 8.250 nan 0.000 0.443 667 A N 0.462 123.293 122.820 0.018 0.000 1.933 667 A HA -0.098 4.226 4.320 0.007 0.000 0.218 667 A C 2.053 179.750 177.584 0.188 0.000 1.175 667 A CA 1.329 53.458 52.037 0.154 0.000 0.628 667 A CB -0.612 18.537 19.000 0.249 0.000 0.814 667 A HN 0.281 nan 8.150 nan 0.000 0.444 668 L N -1.140 120.142 121.223 0.097 0.000 2.217 668 L HA -0.075 4.270 4.340 0.007 0.000 0.211 668 L C 2.796 179.752 176.870 0.144 0.000 1.107 668 L CA 1.142 56.073 54.840 0.150 0.000 0.783 668 L CB -0.292 41.820 42.059 0.088 0.000 0.919 668 L HN 0.432 nan 8.230 nan 0.000 0.442 669 S N 0.008 115.762 115.700 0.089 0.000 2.383 669 S HA -0.189 4.285 4.470 0.007 0.000 0.227 669 S C 2.007 176.702 174.600 0.159 0.000 1.026 669 S CA 1.391 59.640 58.200 0.082 0.000 0.981 669 S CB 0.034 63.247 63.200 0.021 0.000 0.818 669 S HN 0.204 nan 8.310 nan 0.000 0.472 670 K N 1.257 121.761 120.400 0.173 0.000 2.097 670 K HA 0.052 4.376 4.320 0.007 0.000 0.205 670 K C 1.879 178.659 176.600 0.301 0.000 1.050 670 K CA 1.068 57.493 56.287 0.230 0.000 0.938 670 K CB -0.790 31.854 32.500 0.240 0.000 0.718 670 K HN 0.339 nan 8.250 nan 0.000 0.442 671 L N 0.835 122.228 121.223 0.284 0.000 2.083 671 L HA -0.143 4.201 4.340 0.007 0.000 0.209 671 L C 2.359 179.376 176.870 0.245 0.000 1.083 671 L CA 1.976 56.971 54.840 0.260 0.000 0.752 671 L CB -0.816 41.396 42.059 0.254 0.000 0.899 671 L HN 0.497 nan 8.230 nan 0.000 0.433 672 H N -0.109 119.039 119.070 0.131 0.000 2.421 672 H HA -0.163 4.398 4.556 0.007 0.000 0.298 672 H C 1.821 177.166 175.328 0.029 0.000 1.087 672 H CA 1.943 58.042 56.048 0.084 0.000 1.330 672 H CB 0.264 30.058 29.762 0.052 0.000 1.388 672 H HN 0.551 nan 8.280 nan 0.000 0.526 673 E N -0.520 119.715 120.200 0.059 0.000 2.153 673 E HA -0.183 4.172 4.350 0.007 0.000 0.194 673 E C 1.705 178.109 176.600 -0.327 0.000 0.988 673 E CA 1.104 57.435 56.400 -0.115 0.000 0.811 673 E CB -0.052 29.602 29.700 -0.077 0.000 0.746 673 E HN 0.573 nan 8.360 nan 0.000 0.466 674 Y N -1.270 118.845 120.300 -0.308 0.000 2.448 674 Y HA 0.044 4.599 4.550 0.008 0.000 0.289 674 Y C 0.435 175.739 175.900 -0.994 0.000 1.114 674 Y CA 0.477 58.183 58.100 -0.656 0.000 1.235 674 Y CB 0.563 38.465 38.460 -0.929 0.000 1.045 674 Y HN -0.104 nan 8.280 nan 0.000 0.554 675 F N 0.647 120.457 119.950 -0.233 0.000 2.660 675 F HA 0.332 4.864 4.527 0.008 0.000 0.352 675 F C -1.977 173.640 175.800 -0.305 0.000 1.257 675 F CA -2.265 55.592 58.000 -0.238 0.000 1.200 675 F CB 1.108 39.979 39.000 -0.216 0.000 1.473 675 F HN -0.163 nan 8.300 nan 0.000 0.561 676 P HA -0.129 nan 4.420 nan 0.000 0.226 676 P C 0.873 178.047 177.300 -0.211 0.000 1.153 676 P CA 1.237 64.025 63.100 -0.520 0.000 0.777 676 P CB 0.455 31.938 31.700 -0.361 0.000 0.794 677 E N -0.666 119.494 120.200 -0.067 0.000 2.502 677 E HA 0.047 4.401 4.350 0.007 0.000 0.194 677 E C 0.923 177.543 176.600 0.035 0.000 1.062 677 E CA -0.101 56.300 56.400 0.001 0.000 0.867 677 E CB -0.228 29.476 29.700 0.007 0.000 0.888 677 E HN 0.375 nan 8.360 nan 0.000 0.510 678 M N 1.728 121.362 119.600 0.056 0.000 2.217 678 M HA 0.002 4.487 4.480 0.007 0.000 0.354 678 M C -0.069 176.306 176.300 0.125 0.000 1.225 678 M CA 0.148 55.495 55.300 0.078 0.000 1.137 678 M CB 0.594 33.248 32.600 0.090 0.000 1.576 678 M HN -0.178 nan 8.290 nan 0.000 0.461 679 Q N 5.833 125.669 119.800 0.060 0.000 2.322 679 Q HA 0.453 4.797 4.340 0.007 0.000 0.265 679 Q C -1.606 174.406 176.000 0.020 0.000 0.985 679 Q CA -0.665 55.165 55.803 0.044 0.000 0.849 679 Q CB 1.296 30.046 28.738 0.020 0.000 1.274 679 Q HN 0.818 nan 8.270 nan 0.000 0.449 680 I N 5.146 125.728 120.570 0.020 0.000 2.436 680 I HA -0.031 4.143 4.170 0.007 0.000 0.289 680 I C 0.700 176.816 176.117 -0.002 0.000 1.083 680 I CA -0.247 61.059 61.300 0.009 0.000 1.372 680 I CB 0.858 38.863 38.000 0.009 0.000 1.408 680 I HN 0.776 nan 8.210 nan 0.000 0.516 681 L N 7.493 128.710 121.223 -0.011 0.000 2.168 681 L HA 0.420 4.765 4.340 0.007 0.000 0.203 681 L C 0.694 177.570 176.870 0.010 0.000 1.078 681 L CA 1.058 55.894 54.840 -0.008 0.000 0.780 681 L CB 0.044 42.088 42.059 -0.025 0.000 0.939 681 L HN 0.691 nan 8.230 nan 0.000 0.451 682 A N -2.082 120.751 122.820 0.021 0.000 2.566 682 A HA 0.447 4.771 4.320 0.007 0.000 0.297 682 A C 0.169 177.788 177.584 0.058 0.000 1.059 682 A CA 0.140 52.202 52.037 0.040 0.000 0.691 682 A CB 0.693 19.727 19.000 0.057 0.000 1.282 682 A HN -0.095 nan 8.150 nan 0.000 0.401 683 V N 1.322 121.268 119.914 0.053 0.000 2.809 683 V HA 0.084 4.208 4.120 0.007 0.000 0.256 683 V C 0.909 177.064 176.094 0.101 0.000 1.080 683 V CA 2.485 64.822 62.300 0.061 0.000 1.102 683 V CB 0.140 31.981 31.823 0.030 0.000 0.705 683 V HN 1.137 nan 8.190 nan 0.000 0.475 684 S N -0.591 115.172 115.700 0.106 0.000 2.552 684 S HA 0.643 5.117 4.470 0.007 0.000 0.314 684 S C 0.412 175.107 174.600 0.160 0.000 1.099 684 S CA -0.000 58.285 58.200 0.143 0.000 1.070 684 S CB 1.407 64.678 63.200 0.118 0.000 0.998 684 S HN 0.448 nan 8.310 nan 0.000 0.474 685 G N 2.947 111.886 108.800 0.231 0.000 3.805 685 G HA2 0.228 4.192 3.960 0.007 0.000 0.290 685 G HA3 0.228 4.192 3.960 0.007 0.000 0.290 685 G C 0.241 175.307 174.900 0.277 0.000 1.077 685 G CA -0.645 44.628 45.100 0.288 0.000 0.852 685 G HN 0.821 nan 8.290 nan 0.000 0.531 686 N N -1.309 117.514 118.700 0.205 0.000 2.741 686 N HA -0.237 4.508 4.740 0.007 0.000 0.251 686 N C 0.235 175.858 175.510 0.188 0.000 1.112 686 N CA 0.819 53.962 53.050 0.154 0.000 0.750 686 N CB -1.608 36.939 38.487 0.101 0.000 1.119 686 N HN 0.552 nan 8.380 nan 0.000 0.561 687 Y N -0.499 119.855 120.300 0.090 0.000 2.485 687 Y HA 0.255 4.810 4.550 0.009 0.000 0.260 687 Y C 1.659 177.625 175.900 0.110 0.000 1.173 687 Y CA -0.167 57.976 58.100 0.073 0.000 1.252 687 Y CB 0.061 38.597 38.460 0.127 0.000 1.123 687 Y HN 0.356 nan 8.280 nan 0.000 0.524 688 C N -0.929 118.439 119.300 0.114 0.000 2.496 688 C HA 0.015 4.479 4.460 0.007 0.000 0.281 688 C C 1.066 176.051 174.990 -0.009 0.000 1.250 688 C CA 0.880 59.942 59.018 0.073 0.000 1.717 688 C CB -1.102 26.706 27.740 0.113 0.000 2.082 688 C HN 0.326 nan 8.230 nan 0.000 0.472 689 T N 0.972 115.527 114.554 0.000 0.000 2.792 689 T HA 0.391 4.745 4.350 0.007 0.000 0.280 689 T C -1.196 173.532 174.700 0.047 0.000 0.990 689 T CA 0.075 62.195 62.100 0.034 0.000 0.960 689 T CB 1.416 70.295 68.868 0.018 0.000 0.939 689 T HN 0.305 nan 8.240 nan 0.000 0.439 690 D N 2.341 122.778 120.400 0.061 0.000 2.274 690 D HA 0.318 4.963 4.640 0.007 0.000 0.239 690 D C 0.246 176.577 176.300 0.051 0.000 1.104 690 D CA -0.385 53.650 54.000 0.059 0.000 0.840 690 D CB 0.455 41.295 40.800 0.066 0.000 1.100 690 D HN 0.504 nan 8.370 nan 0.000 0.477 691 K N 0.770 121.199 120.400 0.047 0.000 3.274 691 K HA -0.233 4.091 4.320 0.007 0.000 0.300 691 K C -0.564 176.053 176.600 0.028 0.000 1.230 691 K CA 0.854 57.165 56.287 0.039 0.000 0.884 691 K CB -0.855 31.670 32.500 0.041 0.000 1.242 691 K HN 0.335 nan 8.250 nan 0.000 0.467 692 K N 0.196 120.612 120.400 0.027 0.000 2.385 692 K HA 0.383 4.707 4.320 0.007 0.000 0.248 692 K C -2.692 173.915 176.600 0.011 0.000 0.955 692 K CA -2.094 54.203 56.287 0.017 0.000 0.816 692 K CB 1.258 33.771 32.500 0.022 0.000 1.250 692 K HN -0.223 nan 8.250 nan 0.000 0.434 693 P HA 0.249 nan 4.420 nan 0.000 0.271 693 P C -1.396 175.902 177.300 -0.004 0.000 1.220 693 P CA -0.348 62.744 63.100 -0.014 0.000 0.768 693 P CB 0.992 32.669 31.700 -0.039 0.000 0.848 694 A N 2.511 125.336 122.820 0.009 0.000 2.513 694 A HA 0.558 4.882 4.320 0.007 0.000 0.296 694 A C 0.835 178.453 177.584 0.057 0.000 1.052 694 A CA -0.149 51.902 52.037 0.023 0.000 0.714 694 A CB 1.161 20.172 19.000 0.018 0.000 1.279 694 A HN 0.388 nan 8.150 nan 0.000 0.397 695 A N 1.897 124.756 122.820 0.065 0.000 2.019 695 A HA -0.027 4.298 4.320 0.007 0.000 0.219 695 A C 1.750 179.418 177.584 0.141 0.000 1.164 695 A CA 1.730 53.847 52.037 0.135 0.000 0.644 695 A CB -0.540 18.527 19.000 0.113 0.000 0.805 695 A HN 1.265 nan 8.150 nan 0.000 0.449 696 I N -0.186 120.414 120.570 0.051 0.000 2.286 696 I HA -0.266 3.909 4.170 0.007 0.000 0.248 696 I C 1.768 177.874 176.117 -0.019 0.000 1.115 696 I CA 1.583 62.870 61.300 -0.023 0.000 1.392 696 I CB -0.148 37.766 38.000 -0.143 0.000 1.065 696 I HN 0.274 nan 8.210 nan 0.000 0.418 697 N N 0.398 119.117 118.700 0.031 0.000 2.188 697 N HA -0.240 4.504 4.740 0.007 0.000 0.184 697 N C 1.465 177.051 175.510 0.126 0.000 1.018 697 N CA 1.344 54.426 53.050 0.055 0.000 0.858 697 N CB -0.606 37.926 38.487 0.075 0.000 0.989 697 N HN 0.619 nan 8.380 nan 0.000 0.426 698 W N 1.148 122.433 121.300 -0.026 0.000 2.402 698 W HA -0.013 4.661 4.660 0.023 0.000 0.286 698 W C 1.198 177.704 176.519 -0.021 0.000 1.221 698 W CA 0.743 58.083 57.345 -0.008 0.000 1.257 698 W CB 0.047 29.517 29.460 0.016 0.000 1.120 698 W HN -0.001 nan 8.180 nan 0.000 0.551 699 I N -0.086 120.455 120.570 -0.048 0.000 2.927 699 I HA -0.112 4.063 4.170 0.007 0.000 0.268 699 I C 2.029 178.034 176.117 -0.186 0.000 1.153 699 I CA 0.629 61.830 61.300 -0.166 0.000 1.459 699 I CB -0.186 37.791 38.000 -0.039 0.000 1.149 699 I HN -0.254 nan 8.210 nan 0.000 0.443 700 E N 0.936 121.043 120.200 -0.155 0.000 2.364 700 E HA 0.233 4.587 4.350 0.007 0.000 0.196 700 E C 0.956 177.473 176.600 -0.137 0.000 0.990 700 E CA 0.604 56.898 56.400 -0.177 0.000 0.886 700 E CB 0.405 29.972 29.700 -0.222 0.000 0.866 700 E HN 0.354 nan 8.360 nan 0.000 0.493 701 G N 1.771 110.507 108.800 -0.107 0.000 2.758 701 G HA2 -0.234 3.731 3.960 0.007 0.000 0.686 701 G HA3 -0.234 3.731 3.960 0.007 0.000 0.686 701 G C -0.501 174.376 174.900 -0.038 0.000 1.389 701 G CA -0.098 44.959 45.100 -0.071 0.000 0.845 701 G HN 0.207 nan 8.290 nan 0.000 0.572 702 R N 0.438 120.933 120.500 -0.008 0.000 2.536 702 R HA 0.577 4.922 4.340 0.007 0.000 0.269 702 R C 1.078 177.392 176.300 0.024 0.000 1.113 702 R CA 0.697 56.804 56.100 0.012 0.000 0.948 702 R CB 1.052 31.366 30.300 0.025 0.000 1.237 702 R HN 2.783 nan 8.270 nan 0.000 0.441 703 G N 3.528 112.343 108.800 0.026 0.000 2.622 703 G HA2 -0.314 3.650 3.960 0.007 0.000 0.307 703 G HA3 -0.314 3.650 3.960 0.007 0.000 0.307 703 G C -1.017 173.890 174.900 0.011 0.000 1.226 703 G CA 0.276 45.390 45.100 0.024 0.000 0.997 703 G HN 0.502 nan 8.290 nan 0.000 0.551 704 K N 1.538 121.946 120.400 0.013 0.000 2.253 704 K HA 0.536 4.860 4.320 0.007 0.000 0.277 704 K C -0.406 176.195 176.600 0.001 0.000 1.053 704 K CA -0.186 56.103 56.287 0.003 0.000 0.892 704 K CB 1.518 34.020 32.500 0.003 0.000 1.102 704 K HN 0.392 nan 8.250 nan 0.000 0.469 705 S N 1.791 117.481 115.700 -0.017 0.000 2.499 705 S HA 0.458 4.932 4.470 0.007 0.000 0.279 705 S C 0.021 174.605 174.600 -0.028 0.000 1.219 705 S CA -0.749 57.432 58.200 -0.032 0.000 1.062 705 S CB 1.034 64.198 63.200 -0.061 0.000 0.978 705 S HN 0.301 nan 8.310 nan 0.000 0.489 706 V N 3.003 122.903 119.914 -0.023 0.000 2.971 706 V HA 0.652 4.776 4.120 0.007 0.000 0.309 706 V C -0.734 175.350 176.094 -0.018 0.000 1.130 706 V CA -0.753 61.536 62.300 -0.018 0.000 0.964 706 V CB 2.190 34.006 31.823 -0.011 0.000 1.029 706 V HN 0.604 nan 8.190 nan 0.000 0.427 707 V N 3.072 122.977 119.914 -0.014 0.000 2.638 707 V HA 0.716 4.840 4.120 0.007 0.000 0.306 707 V C -0.781 175.311 176.094 -0.004 0.000 1.052 707 V CA -0.204 62.092 62.300 -0.007 0.000 0.885 707 V CB 1.730 33.550 31.823 -0.004 0.000 0.999 707 V HN 1.126 nan 8.190 nan 0.000 0.424 708 C N 5.908 125.204 119.300 -0.007 0.000 2.562 708 C HA 0.975 5.440 4.460 0.007 0.000 0.332 708 C C -0.531 174.443 174.990 -0.027 0.000 1.201 708 C CA 0.063 59.073 59.018 -0.013 0.000 1.803 708 C CB 1.434 29.160 27.740 -0.023 0.000 2.328 708 C HN 1.110 nan 8.230 nan 0.000 0.500 709 E N 2.257 122.440 120.200 -0.029 0.000 2.437 709 E HA 0.768 5.122 4.350 0.007 0.000 0.280 709 E C -1.546 175.017 176.600 -0.061 0.000 1.044 709 E CA -0.720 55.632 56.400 -0.081 0.000 0.826 709 E CB 1.658 31.370 29.700 0.019 0.000 1.358 709 E HN 1.173 nan 8.360 nan 0.000 0.459 710 A N 0.489 123.235 122.820 -0.124 0.000 2.597 710 A HA 0.546 4.870 4.320 0.007 0.000 0.292 710 A C -1.765 175.802 177.584 -0.028 0.000 1.057 710 A CA -0.591 51.422 52.037 -0.042 0.000 0.674 710 A CB 1.768 20.743 19.000 -0.040 0.000 1.278 710 A HN 0.404 nan 8.150 nan 0.000 0.416 711 V N 2.570 122.514 119.914 0.049 0.000 2.407 711 V HA 0.406 4.530 4.120 0.007 0.000 0.291 711 V C -0.741 175.377 176.094 0.041 0.000 1.018 711 V CA -0.494 61.852 62.300 0.078 0.000 0.842 711 V CB 1.319 33.218 31.823 0.127 0.000 0.996 711 V HN 0.644 nan 8.190 nan 0.000 0.426 712 I N 6.885 127.471 120.570 0.027 0.000 2.312 712 I HA 0.393 4.567 4.170 0.007 0.000 0.291 712 I C -2.240 173.893 176.117 0.025 0.000 1.031 712 I CA -2.984 58.327 61.300 0.019 0.000 1.293 712 I CB 1.030 39.034 38.000 0.007 0.000 1.403 712 I HN 0.335 nan 8.210 nan 0.000 0.484 713 P HA 0.074 nan 4.420 nan 0.000 0.268 713 P C 0.673 177.984 177.300 0.018 0.000 1.208 713 P CA -0.027 63.086 63.100 0.022 0.000 0.777 713 P CB 0.814 32.525 31.700 0.018 0.000 0.875 714 A N 3.156 125.986 122.820 0.017 0.000 1.940 714 A HA -0.245 4.080 4.320 0.007 0.000 0.219 714 A C 2.091 179.681 177.584 0.011 0.000 1.176 714 A CA 1.722 53.767 52.037 0.014 0.000 0.631 714 A CB -1.101 17.907 19.000 0.014 0.000 0.814 714 A HN 0.574 nan 8.150 nan 0.000 0.446 715 K N -0.345 120.061 120.400 0.010 0.000 2.032 715 K HA -0.121 4.203 4.320 0.007 0.000 0.209 715 K C 1.810 178.414 176.600 0.007 0.000 1.048 715 K CA 1.760 58.051 56.287 0.008 0.000 0.927 715 K CB -0.261 32.244 32.500 0.007 0.000 0.712 715 K HN 0.281 nan 8.250 nan 0.000 0.441 716 V N 0.652 120.571 119.914 0.008 0.000 2.427 716 V HA -0.195 3.929 4.120 0.007 0.000 0.248 716 V C 2.278 178.375 176.094 0.006 0.000 1.051 716 V CA 1.302 63.606 62.300 0.007 0.000 1.048 716 V CB -0.073 31.755 31.823 0.009 0.000 0.666 716 V HN 0.140 nan 8.190 nan 0.000 0.456 717 V N -0.114 119.804 119.914 0.007 0.000 2.407 717 V HA -0.252 3.872 4.120 0.007 0.000 0.248 717 V C 2.603 178.699 176.094 0.003 0.000 1.055 717 V CA 1.981 64.284 62.300 0.005 0.000 1.049 717 V CB -0.778 31.049 31.823 0.008 0.000 0.662 717 V HN 0.467 nan 8.190 nan 0.000 0.455 718 R N -0.190 120.313 120.500 0.004 0.000 2.062 718 R HA -0.129 4.215 4.340 0.007 0.000 0.231 718 R C 2.351 178.651 176.300 -0.000 0.000 1.136 718 R CA 1.776 57.877 56.100 0.002 0.000 0.948 718 R CB -0.222 30.079 30.300 0.003 0.000 0.845 718 R HN 0.614 nan 8.270 nan 0.000 0.430 719 E N -0.255 119.945 120.200 0.000 0.000 2.086 719 E HA -0.067 4.287 4.350 0.007 0.000 0.190 719 E C 2.013 178.611 176.600 -0.002 0.000 0.975 719 E CA 0.869 57.269 56.400 -0.001 0.000 0.813 719 E CB 0.267 29.968 29.700 0.000 0.000 0.768 719 E HN 0.066 nan 8.360 nan 0.000 0.457 720 V N 0.938 120.852 119.914 -0.000 0.000 2.426 720 V HA -0.089 4.036 4.120 0.007 0.000 0.242 720 V C 1.963 178.056 176.094 -0.002 0.000 1.036 720 V CA 1.100 63.400 62.300 -0.000 0.000 1.044 720 V CB -0.095 31.730 31.823 0.003 0.000 0.688 720 V HN 0.202 nan 8.190 nan 0.000 0.462 721 L N -0.400 120.822 121.223 -0.001 0.000 2.607 721 L HA 0.219 4.563 4.340 0.007 0.000 0.228 721 L C 0.550 177.417 176.870 -0.005 0.000 1.123 721 L CA -0.041 54.797 54.840 -0.002 0.000 0.890 721 L CB 0.033 42.091 42.059 -0.001 0.000 1.103 721 L HN 0.213 nan 8.230 nan 0.000 0.468 722 K N 0.843 121.240 120.400 -0.006 0.000 3.096 722 K HA -0.183 4.141 4.320 0.007 0.000 0.266 722 K C 0.077 176.674 176.600 -0.005 0.000 1.043 722 K CA 0.985 57.267 56.287 -0.008 0.000 0.758 722 K CB -2.302 30.189 32.500 -0.014 0.000 1.260 722 K HN 0.471 nan 8.250 nan 0.000 0.481 723 T N -2.086 112.467 114.554 -0.002 0.000 2.649 723 T HA 0.594 4.948 4.350 0.007 0.000 0.305 723 T C -1.184 173.517 174.700 0.003 0.000 1.409 723 T CA 0.274 62.374 62.100 0.000 0.000 1.021 723 T CB 1.597 70.465 68.868 -0.000 0.000 1.726 723 T HN 0.298 nan 8.240 nan 0.000 0.475 724 T N -1.300 113.257 114.554 0.004 0.000 2.907 724 T HA 0.509 4.864 4.350 0.007 0.000 0.290 724 T C 1.094 175.799 174.700 0.009 0.000 1.066 724 T CA -0.057 62.047 62.100 0.007 0.000 1.012 724 T CB 1.043 69.915 68.868 0.007 0.000 1.184 724 T HN 0.481 nan 8.240 nan 0.000 0.522 725 T N 0.393 114.955 114.554 0.012 0.000 2.708 725 T HA -0.115 4.239 4.350 0.007 0.000 0.266 725 T C 1.682 176.392 174.700 0.017 0.000 1.037 725 T CA 1.879 63.989 62.100 0.017 0.000 1.146 725 T CB -0.418 68.463 68.868 0.023 0.000 0.865 725 T HN 0.847 nan 8.240 nan 0.000 0.435 726 E N 1.027 121.236 120.200 0.015 0.000 2.077 726 E HA -0.122 4.232 4.350 0.007 0.000 0.193 726 E C 2.359 178.966 176.600 0.012 0.000 0.989 726 E CA 1.052 57.461 56.400 0.014 0.000 0.800 726 E CB -0.234 29.473 29.700 0.012 0.000 0.746 726 E HN 0.471 nan 8.360 nan 0.000 0.452 727 A N 0.637 123.462 122.820 0.009 0.000 1.969 727 A HA -0.121 4.204 4.320 0.007 0.000 0.218 727 A C 2.137 179.725 177.584 0.006 0.000 1.169 727 A CA 1.396 53.437 52.037 0.007 0.000 0.635 727 A CB -0.376 18.627 19.000 0.005 0.000 0.810 727 A HN 0.369 nan 8.150 nan 0.000 0.445 728 M N -1.071 118.533 119.600 0.007 0.000 2.388 728 M HA 0.131 4.615 4.480 0.007 0.000 0.265 728 M C 1.810 178.117 176.300 0.010 0.000 1.088 728 M CA 0.775 56.078 55.300 0.005 0.000 1.134 728 M CB -0.129 32.473 32.600 0.003 0.000 1.384 728 M HN 0.408 nan 8.290 nan 0.000 0.447 729 I N -0.172 120.408 120.570 0.016 0.000 2.179 729 I HA -0.305 3.869 4.170 0.007 0.000 0.242 729 I C 2.321 178.449 176.117 0.019 0.000 1.088 729 I CA 1.429 62.742 61.300 0.023 0.000 1.357 729 I CB -0.406 37.611 38.000 0.028 0.000 1.051 729 I HN 0.353 nan 8.210 nan 0.000 0.409 730 E N 0.652 120.861 120.200 0.015 0.000 2.085 730 E HA -0.204 4.150 4.350 0.007 0.000 0.194 730 E C 2.267 178.873 176.600 0.011 0.000 0.994 730 E CA 1.512 57.919 56.400 0.013 0.000 0.801 730 E CB 0.181 29.887 29.700 0.010 0.000 0.743 730 E HN 0.286 nan 8.360 nan 0.000 0.453 731 V N 1.038 120.957 119.914 0.008 0.000 2.379 731 V HA -0.207 3.918 4.120 0.007 0.000 0.245 731 V C 2.153 178.252 176.094 0.008 0.000 1.044 731 V CA 1.901 64.204 62.300 0.004 0.000 1.036 731 V CB -0.721 31.100 31.823 -0.003 0.000 0.664 731 V HN 0.317 nan 8.190 nan 0.000 0.453 732 N N 0.228 118.935 118.700 0.012 0.000 2.120 732 N HA -0.123 4.621 4.740 0.007 0.000 0.188 732 N C 1.657 177.187 175.510 0.032 0.000 1.024 732 N CA 1.442 54.505 53.050 0.021 0.000 0.852 732 N CB -0.191 38.309 38.487 0.022 0.000 1.003 732 N HN 0.455 nan 8.380 nan 0.000 0.424 733 I N 0.398 120.986 120.570 0.029 0.000 2.142 733 I HA -0.240 3.934 4.170 0.007 0.000 0.240 733 I C 1.473 177.610 176.117 0.033 0.000 1.078 733 I CA 1.032 62.350 61.300 0.031 0.000 1.343 733 I CB -0.229 37.786 38.000 0.025 0.000 1.046 733 I HN 0.273 nan 8.210 nan 0.000 0.405 734 N N 0.172 118.886 118.700 0.024 0.000 2.422 734 N HA -0.092 4.652 4.740 0.007 0.000 0.181 734 N C 1.536 177.057 175.510 0.018 0.000 1.080 734 N CA 0.553 53.615 53.050 0.020 0.000 0.893 734 N CB 0.328 38.822 38.487 0.012 0.000 0.973 734 N HN 0.452 nan 8.380 nan 0.000 0.456 735 K N 1.023 121.433 120.400 0.018 0.000 2.218 735 K HA 0.112 4.436 4.320 0.007 0.000 0.214 735 K C 1.055 177.670 176.600 0.025 0.000 1.033 735 K CA 0.209 56.502 56.287 0.009 0.000 0.949 735 K CB 0.157 32.655 32.500 -0.004 0.000 0.993 735 K HN -0.166 nan 8.250 nan 0.000 0.464 736 N N 1.048 119.772 118.700 0.041 0.000 2.459 736 N HA -0.034 4.710 4.740 0.007 0.000 0.181 736 N C 1.639 177.255 175.510 0.177 0.000 1.046 736 N CA 0.812 53.909 53.050 0.077 0.000 0.904 736 N CB 0.121 38.654 38.487 0.076 0.000 0.964 736 N HN 0.262 nan 8.380 nan 0.000 0.444 737 L N -1.166 120.147 121.223 0.150 0.000 2.546 737 L HA 0.146 4.491 4.340 0.007 0.000 0.182 737 L C 1.982 178.952 176.870 0.167 0.000 1.167 737 L CA 0.246 55.203 54.840 0.195 0.000 0.845 737 L CB -0.655 41.455 42.059 0.084 0.000 1.134 737 L HN -0.167 nan 8.230 nan 0.000 0.500 738 V N 0.787 120.754 119.914 0.088 0.000 2.307 738 V HA -0.152 3.973 4.120 0.007 0.000 0.245 738 V C 2.613 178.736 176.094 0.048 0.000 1.045 738 V CA 2.105 64.442 62.300 0.062 0.000 1.024 738 V CB -1.331 30.514 31.823 0.036 0.000 0.651 738 V HN 0.587 nan 8.190 nan 0.000 0.449 739 G N -0.407 108.412 108.800 0.033 0.000 2.421 739 G HA2 -0.241 3.724 3.960 0.007 0.000 0.216 739 G HA3 -0.241 3.724 3.960 0.007 0.000 0.216 739 G C 1.846 176.734 174.900 -0.020 0.000 1.171 739 G CA 1.189 46.291 45.100 0.003 0.000 0.775 739 G HN 0.504 nan 8.290 nan 0.000 0.543 740 S N 1.017 116.700 115.700 -0.027 0.000 2.399 740 S HA -0.014 4.461 4.470 0.007 0.000 0.231 740 S C 2.729 177.258 174.600 -0.119 0.000 1.022 740 S CA 1.185 59.297 58.200 -0.148 0.000 0.983 740 S CB -0.308 62.709 63.200 -0.305 0.000 0.803 740 S HN 0.597 nan 8.310 nan 0.000 0.480 741 A N 1.691 124.539 122.820 0.047 0.000 1.898 741 A HA -0.022 4.303 4.320 0.007 0.000 0.216 741 A C 2.050 179.645 177.584 0.019 0.000 1.181 741 A CA 1.227 53.317 52.037 0.087 0.000 0.620 741 A CB -0.448 18.638 19.000 0.143 0.000 0.819 741 A HN 0.367 nan 8.150 nan 0.000 0.442 742 M N -0.294 119.310 119.600 0.006 0.000 2.296 742 M HA -0.018 4.466 4.480 0.007 0.000 0.265 742 M C 2.246 178.529 176.300 -0.027 0.000 1.064 742 M CA 1.313 56.609 55.300 -0.007 0.000 1.109 742 M CB -1.469 31.128 32.600 -0.006 0.000 1.396 742 M HN 0.471 nan 8.290 nan 0.000 0.430 743 A N -0.409 122.381 122.820 -0.050 0.000 2.167 743 A HA 0.367 4.691 4.320 0.007 0.000 0.214 743 A C 1.588 179.125 177.584 -0.077 0.000 1.151 743 A CA 0.987 52.983 52.037 -0.068 0.000 0.735 743 A CB -0.708 18.236 19.000 -0.094 0.000 0.802 743 A HN 0.635 nan 8.150 nan 0.000 0.467 744 G N -0.481 108.274 108.800 -0.075 0.000 2.248 744 G HA2 -0.149 3.815 3.960 0.007 0.000 0.252 744 G HA3 -0.149 3.815 3.960 0.007 0.000 0.252 744 G C 0.153 174.980 174.900 -0.122 0.000 1.085 744 G CA 0.492 45.549 45.100 -0.071 0.000 0.845 744 G HN 1.009 nan 8.290 nan 0.000 0.494 745 S N -0.420 115.159 115.700 -0.202 0.000 2.554 745 S HA 0.747 5.221 4.470 0.007 0.000 0.278 745 S C 0.464 174.850 174.600 -0.356 0.000 1.242 745 S CA -0.778 57.219 58.200 -0.339 0.000 1.051 745 S CB 0.402 63.279 63.200 -0.539 0.000 0.986 745 S HN 0.396 nan 8.310 nan 0.000 0.502 746 I N 4.183 124.544 120.570 -0.349 0.000 2.382 746 I HA 0.385 4.559 4.170 0.007 0.000 0.285 746 I C 1.254 176.979 176.117 -0.652 0.000 1.007 746 I CA 0.075 61.151 61.300 -0.375 0.000 1.142 746 I CB 0.316 38.191 38.000 -0.209 0.000 1.289 746 I HN 1.021 nan 8.210 nan 0.000 0.453 747 G N 4.856 112.996 108.800 -1.100 0.000 2.176 747 G HA2 -0.210 3.754 3.960 0.007 0.000 0.253 747 G HA3 -0.210 3.754 3.960 0.007 0.000 0.253 747 G C 0.765 175.204 174.900 -0.769 0.000 0.979 747 G CA 0.032 44.215 45.100 -1.527 0.000 0.641 747 G HN 0.926 nan 8.290 nan 0.000 0.530 748 G N -0.193 108.180 108.800 -0.712 0.000 4.486 748 G HA2 0.498 4.462 3.960 0.007 0.000 0.306 748 G HA3 0.498 4.462 3.960 0.007 0.000 0.306 748 G C -0.011 174.588 174.900 -0.501 0.000 1.331 748 G CA -0.489 44.325 45.100 -0.477 0.000 1.113 748 G HN 0.381 nan 8.290 nan 0.000 0.594 749 Y N 1.677 121.884 120.300 -0.154 0.000 2.880 749 Y HA 0.272 4.805 4.550 -0.028 0.000 0.386 749 Y C 0.647 176.540 175.900 -0.012 0.000 1.172 749 Y CA -0.917 57.146 58.100 -0.060 0.000 1.770 749 Y CB -0.288 38.163 38.460 -0.015 0.000 1.809 749 Y HN 0.570 nan 8.280 nan 0.000 0.472 750 N N -1.806 116.922 118.700 0.046 0.000 3.020 750 N HA 0.658 5.402 4.740 0.007 0.000 0.248 750 N C 0.044 175.563 175.510 0.017 0.000 1.480 750 N CA -0.527 52.553 53.050 0.051 0.000 0.874 750 N CB 0.689 39.212 38.487 0.060 0.000 1.433 750 N HN -0.019 nan 8.380 nan 0.000 0.530 751 A N -0.237 122.600 122.820 0.028 0.000 1.843 751 A HA 0.062 4.387 4.320 0.007 0.000 0.213 751 A C 0.755 178.371 177.584 0.053 0.000 1.239 751 A CA 1.556 53.585 52.037 -0.014 0.000 0.606 751 A CB -0.982 17.962 19.000 -0.092 0.000 0.903 751 A HN 0.964 nan 8.150 nan 0.000 0.455 752 H N -4.472 114.581 119.070 -0.029 0.000 3.186 752 H HA 0.652 5.212 4.556 0.006 0.000 0.219 752 H C 0.787 176.091 175.328 -0.040 0.000 1.393 752 H CA 0.018 56.044 56.048 -0.037 0.000 1.183 752 H CB -0.079 29.665 29.762 -0.031 0.000 2.346 752 H HN 0.319 nan 8.280 nan 0.000 0.535 753 A N 1.307 124.166 122.820 0.064 0.000 1.997 753 A HA -0.200 4.125 4.320 0.007 0.000 0.221 753 A C 2.528 180.044 177.584 -0.113 0.000 1.172 753 A CA 2.069 54.086 52.037 -0.033 0.000 0.645 753 A CB -0.767 18.230 19.000 -0.005 0.000 0.813 753 A HN 0.742 nan 8.150 nan 0.000 0.454 754 A N -0.205 122.557 122.820 -0.097 0.000 1.969 754 A HA -0.171 4.153 4.320 0.007 0.000 0.218 754 A C 1.931 179.421 177.584 -0.157 0.000 1.169 754 A CA 1.622 53.582 52.037 -0.129 0.000 0.635 754 A CB -0.557 18.388 19.000 -0.091 0.000 0.810 754 A HN 0.553 nan 8.150 nan 0.000 0.445 755 N N 0.053 118.643 118.700 -0.183 0.000 2.069 755 N HA -0.137 4.607 4.740 0.007 0.000 0.191 755 N C 1.483 176.859 175.510 -0.224 0.000 1.031 755 N CA 1.630 54.548 53.050 -0.219 0.000 0.852 755 N CB -0.397 37.884 38.487 -0.344 0.000 1.018 755 N HN 0.438 nan 8.380 nan 0.000 0.423 756 I N 0.305 120.714 120.570 -0.269 0.000 2.286 756 I HA -0.152 4.023 4.170 0.007 0.000 0.245 756 I C 2.248 178.276 176.117 -0.148 0.000 1.104 756 I CA 0.532 61.720 61.300 -0.186 0.000 1.397 756 I CB -0.491 37.408 38.000 -0.167 0.000 1.072 756 I HN -0.121 nan 8.210 nan 0.000 0.417 757 V N 0.098 119.888 119.914 -0.208 0.000 2.261 757 V HA -0.315 3.810 4.120 0.007 0.000 0.246 757 V C 2.483 178.344 176.094 -0.387 0.000 1.047 757 V CA 2.520 64.606 62.300 -0.357 0.000 1.015 757 V CB -1.117 30.427 31.823 -0.465 0.000 0.642 757 V HN 0.446 nan 8.190 nan 0.000 0.446 758 T N 0.388 114.783 114.554 -0.266 0.000 2.720 758 T HA -0.214 4.140 4.350 0.007 0.000 0.268 758 T C 2.019 176.706 174.700 -0.022 0.000 1.037 758 T CA 1.790 63.809 62.100 -0.134 0.000 1.144 758 T CB -0.466 68.344 68.868 -0.096 0.000 0.864 758 T HN 0.580 nan 8.240 nan 0.000 0.444 759 A N 0.982 123.779 122.820 -0.038 0.000 1.873 759 A HA 0.020 4.344 4.320 0.007 0.000 0.215 759 A C 2.292 179.902 177.584 0.043 0.000 1.186 759 A CA 1.183 53.219 52.037 -0.002 0.000 0.616 759 A CB -0.724 18.259 19.000 -0.029 0.000 0.823 759 A HN 0.524 nan 8.150 nan 0.000 0.442 760 I N -1.938 118.668 120.570 0.062 0.000 2.394 760 I HA -0.230 3.945 4.170 0.007 0.000 0.251 760 I C 2.324 178.557 176.117 0.194 0.000 1.136 760 I CA 1.067 62.433 61.300 0.111 0.000 1.425 760 I CB -0.334 37.736 38.000 0.117 0.000 1.079 760 I HN 0.325 nan 8.210 nan 0.000 0.425 761 Y N 0.775 121.063 120.300 -0.019 0.000 2.200 761 Y HA -0.155 4.404 4.550 0.014 0.000 0.290 761 Y C 2.397 178.293 175.900 -0.006 0.000 1.137 761 Y CA 1.129 59.221 58.100 -0.013 0.000 1.163 761 Y CB -0.543 37.910 38.460 -0.012 0.000 0.988 761 Y HN 0.074 nan 8.280 nan 0.000 0.518 762 I N -0.861 119.804 120.570 0.157 0.000 2.315 762 I HA -0.254 3.921 4.170 0.007 0.000 0.248 762 I C 2.473 178.622 176.117 0.053 0.000 1.117 762 I CA 1.125 62.475 61.300 0.084 0.000 1.404 762 I CB -0.523 37.516 38.000 0.065 0.000 1.071 762 I HN 0.100 nan 8.210 nan 0.000 0.419 763 A N -0.648 122.203 122.820 0.053 0.000 2.015 763 A HA -0.161 4.164 4.320 0.007 0.000 0.219 763 A C 1.955 179.551 177.584 0.020 0.000 1.163 763 A CA 1.242 53.300 52.037 0.034 0.000 0.646 763 A CB -0.716 18.304 19.000 0.034 0.000 0.806 763 A HN 0.567 nan 8.150 nan 0.000 0.448 764 C N -1.003 118.305 119.300 0.013 0.000 2.760 764 C HA 0.532 4.996 4.460 0.007 0.000 0.293 764 C C 1.693 176.654 174.990 -0.049 0.000 1.383 764 C CA -0.194 58.813 59.018 -0.019 0.000 1.771 764 C CB -0.983 26.740 27.740 -0.029 0.000 2.353 764 C HN 1.036 nan 8.230 nan 0.000 0.578 765 G N 1.350 110.132 108.800 -0.030 0.000 2.153 765 G HA2 -0.189 3.775 3.960 0.007 0.000 0.252 765 G HA3 -0.189 3.775 3.960 0.007 0.000 0.252 765 G C 0.030 174.888 174.900 -0.071 0.000 0.994 765 G CA 0.076 45.155 45.100 -0.035 0.000 0.698 765 G HN 0.519 nan 8.290 nan 0.000 0.521 766 Q N 0.141 119.868 119.800 -0.122 0.000 2.316 766 Q HA 0.346 4.690 4.340 0.007 0.000 0.215 766 Q C -0.077 175.883 176.000 -0.067 0.000 1.020 766 Q CA -0.525 55.148 55.803 -0.217 0.000 0.970 766 Q CB 0.555 28.909 28.738 -0.640 0.000 1.187 766 Q HN 0.305 nan 8.270 nan 0.000 0.546 767 D N 0.152 120.525 120.400 -0.045 0.000 2.352 767 D HA 0.225 4.870 4.640 0.007 0.000 0.245 767 D C 0.304 176.706 176.300 0.170 0.000 1.224 767 D CA -0.048 53.983 54.000 0.052 0.000 0.879 767 D CB 0.894 41.719 40.800 0.042 0.000 1.057 767 D HN 0.529 nan 8.370 nan 0.000 0.491 768 A N 3.799 126.716 122.820 0.161 0.000 2.067 768 A HA -0.032 4.292 4.320 0.007 0.000 0.219 768 A C 2.070 179.721 177.584 0.112 0.000 1.158 768 A CA 1.395 53.541 52.037 0.182 0.000 0.661 768 A CB -0.201 18.866 19.000 0.112 0.000 0.801 768 A HN 0.609 nan 8.150 nan 0.000 0.452 769 A N -0.536 122.336 122.820 0.087 0.000 2.076 769 A HA -0.189 4.135 4.320 0.007 0.000 0.220 769 A C 1.912 179.535 177.584 0.065 0.000 1.160 769 A CA 1.446 53.519 52.037 0.059 0.000 0.653 769 A CB -0.426 18.603 19.000 0.049 0.000 0.801 769 A HN 0.665 nan 8.150 nan 0.000 0.455 770 Q N 0.068 119.936 119.800 0.112 0.000 2.444 770 Q HA -0.058 4.287 4.340 0.007 0.000 0.206 770 Q C 1.321 177.374 176.000 0.088 0.000 0.948 770 Q CA 0.386 56.263 55.803 0.122 0.000 0.946 770 Q CB -0.140 28.701 28.738 0.172 0.000 1.027 770 Q HN 0.908 nan 8.270 nan 0.000 0.513 771 N N 0.128 118.829 118.700 0.001 0.000 2.520 771 N HA -0.114 4.631 4.740 0.007 0.000 0.185 771 N C 1.376 176.840 175.510 -0.076 0.000 1.068 771 N CA 0.644 53.608 53.050 -0.143 0.000 0.911 771 N CB -0.159 38.198 38.487 -0.216 0.000 0.961 771 N HN 0.038 nan 8.380 nan 0.000 0.446 772 V N 1.146 121.044 119.914 -0.026 0.000 2.231 772 V HA -0.194 3.930 4.120 0.007 0.000 0.248 772 V C 2.670 178.756 176.094 -0.014 0.000 1.054 772 V CA 2.402 64.690 62.300 -0.020 0.000 1.015 772 V CB -1.194 30.628 31.823 -0.001 0.000 0.638 772 V HN 0.592 nan 8.190 nan 0.000 0.444 773 G N -1.742 107.066 108.800 0.014 0.000 2.492 773 G HA2 -0.112 3.852 3.960 0.007 0.000 0.214 773 G HA3 -0.112 3.852 3.960 0.007 0.000 0.214 773 G C 1.748 176.675 174.900 0.046 0.000 1.147 773 G CA 0.777 45.900 45.100 0.037 0.000 0.809 773 G HN 0.491 nan 8.290 nan 0.000 0.533 774 S N 1.239 116.957 115.700 0.030 0.000 2.419 774 S HA -0.071 4.403 4.470 0.007 0.000 0.233 774 S C 2.468 177.048 174.600 -0.033 0.000 1.016 774 S CA 1.160 59.374 58.200 0.024 0.000 0.974 774 S CB -0.083 63.134 63.200 0.030 0.000 0.786 774 S HN 0.311 nan 8.310 nan 0.000 0.492 775 S N 1.805 117.464 115.700 -0.068 0.000 2.561 775 S HA 0.091 4.565 4.470 0.007 0.000 0.225 775 S C 0.474 175.074 174.600 0.000 0.000 0.977 775 S CA -0.088 58.071 58.200 -0.069 0.000 0.926 775 S CB -0.287 62.855 63.200 -0.095 0.000 0.769 775 S HN 0.437 nan 8.310 nan 0.000 0.533 776 N N 1.725 120.458 118.700 0.055 0.000 2.301 776 N HA 0.067 4.811 4.740 0.007 0.000 0.267 776 N C -0.602 175.065 175.510 0.263 0.000 1.304 776 N CA 0.412 53.554 53.050 0.153 0.000 0.851 776 N CB 0.237 38.916 38.487 0.320 0.000 1.070 776 N HN 0.258 nan 8.380 nan 0.000 0.483 777 C N 3.918 123.379 119.300 0.267 0.000 3.046 777 C HA 0.518 4.982 4.460 0.007 0.000 0.388 777 C C -0.798 174.388 174.990 0.326 0.000 1.041 777 C CA -1.007 58.179 59.018 0.280 0.000 1.241 777 C CB 0.327 28.146 27.740 0.131 0.000 1.638 777 C HN 0.754 nan 8.230 nan 0.000 0.539 778 I N 5.085 125.896 120.570 0.402 0.000 2.362 778 I HA 0.528 4.703 4.170 0.007 0.000 0.289 778 I C -0.034 176.188 176.117 0.176 0.000 0.994 778 I CA 0.396 61.894 61.300 0.329 0.000 1.158 778 I CB 1.696 39.920 38.000 0.373 0.000 1.315 778 I HN 0.745 nan 8.210 nan 0.000 0.451 779 T N 8.280 122.916 114.554 0.136 0.000 2.749 779 T HA 0.530 4.884 4.350 0.007 0.000 0.287 779 T C -0.251 174.485 174.700 0.059 0.000 0.970 779 T CA -0.314 61.830 62.100 0.074 0.000 0.980 779 T CB 0.629 69.532 68.868 0.058 0.000 0.924 779 T HN 0.357 nan 8.240 nan 0.000 0.456 780 L N 3.602 124.846 121.223 0.034 0.000 2.333 780 L HA 0.728 5.073 4.340 0.007 0.000 0.269 780 L C -0.247 176.636 176.870 0.021 0.000 1.010 780 L CA -0.936 53.931 54.840 0.045 0.000 0.818 780 L CB 1.883 43.990 42.059 0.079 0.000 1.306 780 L HN 0.412 nan 8.230 nan 0.000 0.430 781 M N 1.864 121.498 119.600 0.057 0.000 2.322 781 M HA 0.441 4.925 4.480 0.007 0.000 0.286 781 M C -1.480 174.888 176.300 0.112 0.000 1.111 781 M CA -0.441 54.894 55.300 0.057 0.000 0.941 781 M CB 3.041 35.655 32.600 0.024 0.000 1.671 781 M HN 0.584 nan 8.290 nan 0.000 0.470 782 E N 0.902 121.206 120.200 0.174 0.000 2.429 782 E HA 0.753 5.108 4.350 0.007 0.000 0.276 782 E C -1.060 175.616 176.600 0.127 0.000 0.953 782 E CA -1.046 55.443 56.400 0.147 0.000 0.787 782 E CB 2.231 32.026 29.700 0.159 0.000 1.307 782 E HN 0.727 nan 8.360 nan 0.000 0.458 783 A N 0.952 123.817 122.820 0.075 0.000 2.386 783 A HA 0.569 4.893 4.320 0.007 0.000 0.248 783 A C -0.115 177.501 177.584 0.054 0.000 1.082 783 A CA 0.096 52.168 52.037 0.057 0.000 0.789 783 A CB 0.971 19.990 19.000 0.032 0.000 1.025 783 A HN 0.320 nan 8.150 nan 0.000 0.490 784 S N -0.947 114.784 115.700 0.051 0.000 2.625 784 S HA 0.745 5.220 4.470 0.007 0.000 0.271 784 S C -0.158 174.458 174.600 0.027 0.000 1.161 784 S CA 0.751 58.974 58.200 0.038 0.000 0.820 784 S CB 1.101 64.353 63.200 0.087 0.000 1.137 784 S HN 2.799 nan 8.310 nan 0.000 0.470 785 G N 2.443 111.252 108.800 0.015 0.000 2.796 785 G HA2 -0.117 3.847 3.960 0.007 0.000 0.571 785 G HA3 -0.117 3.847 3.960 0.007 0.000 0.571 785 G C -1.920 172.983 174.900 0.006 0.000 1.370 785 G CA -0.155 44.952 45.100 0.013 0.000 0.856 785 G HN 0.593 nan 8.290 nan 0.000 0.538 786 P HA -0.073 nan 4.420 nan 0.000 0.218 786 P C 1.478 178.780 177.300 0.003 0.000 1.148 786 P CA 2.651 65.752 63.100 0.002 0.000 0.822 786 P CB -0.199 31.503 31.700 0.003 0.000 0.784 787 T N -5.492 109.066 114.554 0.006 0.000 3.174 787 T HA 0.207 4.562 4.350 0.007 0.000 0.269 787 T C 0.637 175.342 174.700 0.008 0.000 1.017 787 T CA -0.499 61.605 62.100 0.006 0.000 0.899 787 T CB -0.781 68.091 68.868 0.006 0.000 1.077 787 T HN -0.085 nan 8.240 nan 0.000 0.552 788 N N 1.535 120.240 118.700 0.009 0.000 2.725 788 N HA -0.162 4.582 4.740 0.007 0.000 0.249 788 N C 0.327 175.847 175.510 0.017 0.000 1.103 788 N CA 1.120 54.178 53.050 0.013 0.000 0.707 788 N CB -0.951 37.541 38.487 0.009 0.000 1.043 788 N HN 0.740 nan 8.380 nan 0.000 0.553 789 E N -0.756 119.455 120.200 0.018 0.000 2.511 789 E HA 0.057 4.411 4.350 0.007 0.000 0.209 789 E C -0.484 176.131 176.600 0.024 0.000 0.986 789 E CA -0.216 56.195 56.400 0.019 0.000 0.974 789 E CB 0.437 30.145 29.700 0.014 0.000 1.030 789 E HN 0.278 nan 8.360 nan 0.000 0.490 790 D N 0.937 121.355 120.400 0.031 0.000 2.283 790 D HA 0.138 4.782 4.640 0.007 0.000 0.248 790 D C -0.424 175.910 176.300 0.056 0.000 1.072 790 D CA -0.400 53.624 54.000 0.039 0.000 0.929 790 D CB 1.711 42.537 40.800 0.043 0.000 1.182 790 D HN -0.040 nan 8.370 nan 0.000 0.433 791 L N 2.879 124.135 121.223 0.054 0.000 2.255 791 L HA 0.208 4.552 4.340 0.007 0.000 0.289 791 L C -1.100 175.823 176.870 0.089 0.000 1.046 791 L CA -0.649 54.227 54.840 0.060 0.000 0.816 791 L CB 0.221 42.295 42.059 0.026 0.000 1.197 791 L HN 0.227 nan 8.230 nan 0.000 0.427 792 Y N 6.058 126.363 120.300 0.008 0.000 2.335 792 Y HA 0.523 5.079 4.550 0.009 0.000 0.331 792 Y C -0.529 175.377 175.900 0.011 0.000 1.094 792 Y CA -0.228 57.877 58.100 0.009 0.000 1.253 792 Y CB 0.845 39.309 38.460 0.006 0.000 1.203 792 Y HN 0.674 nan 8.280 nan 0.000 0.508 793 I N 5.574 125.675 120.570 -0.781 0.000 2.769 793 I HA 0.632 4.806 4.170 0.007 0.000 0.298 793 I C -1.470 174.187 176.117 -0.766 0.000 1.128 793 I CA -0.334 60.619 61.300 -0.579 0.000 1.031 793 I CB 1.796 39.648 38.000 -0.246 0.000 1.235 793 I HN 0.749 nan 8.210 nan 0.000 0.423 794 S N 5.387 120.835 115.700 -0.421 0.000 2.541 794 S HA 0.692 5.167 4.470 0.007 0.000 0.271 794 S C -1.357 173.196 174.600 -0.078 0.000 1.133 794 S CA -0.710 57.354 58.200 -0.226 0.000 0.876 794 S CB 1.415 64.543 63.200 -0.118 0.000 1.105 794 S HN 0.713 nan 8.310 nan 0.000 0.470 795 C N 1.908 121.186 119.300 -0.037 0.000 2.455 795 C HA 0.869 5.333 4.460 0.007 0.000 0.320 795 C C -0.063 174.940 174.990 0.022 0.000 1.226 795 C CA -0.334 58.690 59.018 0.011 0.000 1.569 795 C CB 1.330 29.077 27.740 0.012 0.000 2.200 795 C HN 0.963 nan 8.230 nan 0.000 0.491 796 T N 4.415 119.000 114.554 0.052 0.000 2.809 796 T HA 0.554 4.909 4.350 0.007 0.000 0.284 796 T C -0.483 174.259 174.700 0.070 0.000 0.992 796 T CA -0.238 61.880 62.100 0.030 0.000 0.957 796 T CB 0.776 69.641 68.868 -0.005 0.000 0.942 796 T HN 0.571 nan 8.240 nan 0.000 0.439 797 M N 5.165 124.789 119.600 0.040 0.000 1.999 797 M HA 0.271 4.755 4.480 0.007 0.000 0.299 797 M C -2.035 174.283 176.300 0.031 0.000 0.900 797 M CA -1.998 53.350 55.300 0.079 0.000 0.904 797 M CB 2.462 35.099 32.600 0.062 0.000 1.477 797 M HN 0.250 nan 8.290 nan 0.000 0.403 798 P HA 0.023 nan 4.420 nan 0.000 0.245 798 P C 0.209 177.508 177.300 -0.002 0.000 1.206 798 P CA 0.641 63.701 63.100 -0.066 0.000 0.781 798 P CB 0.217 31.778 31.700 -0.232 0.000 0.994 799 S N -1.182 114.553 115.700 0.059 0.000 2.569 799 S HA 0.332 4.806 4.470 0.007 0.000 0.215 799 S C -0.107 174.540 174.600 0.078 0.000 1.096 799 S CA -0.642 57.597 58.200 0.065 0.000 1.183 799 S CB -1.243 62.012 63.200 0.091 0.000 1.324 799 S HN -0.113 nan 8.310 nan 0.000 0.421 800 I N 2.409 123.023 120.570 0.073 0.000 2.494 800 I HA 0.156 4.331 4.170 0.007 0.000 0.289 800 I C 0.093 176.276 176.117 0.109 0.000 1.106 800 I CA 0.274 61.639 61.300 0.109 0.000 1.369 800 I CB 0.383 38.438 38.000 0.093 0.000 1.410 800 I HN 0.388 nan 8.210 nan 0.000 0.523 801 E N 7.616 127.910 120.200 0.158 0.000 2.055 801 E HA 0.630 4.985 4.350 0.007 0.000 0.274 801 E C -0.697 175.933 176.600 0.049 0.000 0.949 801 E CA -0.182 56.280 56.400 0.103 0.000 0.775 801 E CB 1.636 31.402 29.700 0.110 0.000 1.097 801 E HN 0.467 nan 8.360 nan 0.000 0.404 802 I N 1.556 122.108 120.570 -0.030 0.000 3.006 802 I HA 0.716 4.890 4.170 0.007 0.000 0.306 802 I C -0.842 175.205 176.117 -0.115 0.000 1.250 802 I CA -0.546 60.672 61.300 -0.137 0.000 0.996 802 I CB 2.203 40.146 38.000 -0.095 0.000 1.261 802 I HN 0.576 nan 8.210 nan 0.000 0.442 803 G N 0.891 109.602 108.800 -0.149 0.000 2.673 803 G HA2 0.442 4.407 3.960 0.007 0.000 0.292 803 G HA3 0.442 4.407 3.960 0.007 0.000 0.292 803 G C -0.443 174.390 174.900 -0.111 0.000 1.450 803 G CA 0.192 45.224 45.100 -0.114 0.000 0.837 803 G HN 0.590 nan 8.290 nan 0.000 0.505 804 T N -2.520 111.980 114.554 -0.088 0.000 3.084 804 T HA 0.493 4.847 4.350 0.007 0.000 0.270 804 T C 0.133 174.799 174.700 -0.057 0.000 1.008 804 T CA 0.015 62.074 62.100 -0.069 0.000 0.900 804 T CB 0.278 69.113 68.868 -0.056 0.000 1.084 804 T HN 0.659 nan 8.240 nan 0.000 0.538 805 V N 0.424 120.300 119.914 -0.063 0.000 2.925 805 V HA 0.870 4.995 4.120 0.007 0.000 0.311 805 V C 0.565 176.633 176.094 -0.043 0.000 1.104 805 V CA -0.141 62.132 62.300 -0.047 0.000 0.954 805 V CB 1.055 32.851 31.823 -0.045 0.000 1.022 805 V HN 0.834 nan 8.190 nan 0.000 0.427 806 G N 1.508 110.292 108.800 -0.027 0.000 2.690 806 G HA2 0.447 4.411 3.960 0.007 0.000 0.686 806 G HA3 0.447 4.411 3.960 0.007 0.000 0.686 806 G C 0.509 175.396 174.900 -0.021 0.000 1.277 806 G CA -0.096 44.992 45.100 -0.020 0.000 0.799 806 G HN 2.408 nan 8.290 nan 0.000 0.613 807 G N 0.147 108.941 108.800 -0.011 0.000 2.591 807 G HA2 0.120 4.084 3.960 0.007 0.000 0.298 807 G HA3 0.120 4.084 3.960 0.007 0.000 0.298 807 G C 1.953 176.851 174.900 -0.004 0.000 1.195 807 G CA 2.069 47.165 45.100 -0.006 0.000 0.989 807 G HN 2.516 nan 8.290 nan 0.000 0.551 808 G N -0.456 108.340 108.800 -0.008 0.000 2.650 808 G HA2 0.238 4.202 3.960 0.007 0.000 0.214 808 G HA3 0.238 4.202 3.960 0.007 0.000 0.214 808 G C 1.797 176.690 174.900 -0.011 0.000 1.136 808 G CA 2.133 47.233 45.100 -0.001 0.000 0.789 808 G HN 1.849 nan 8.290 nan 0.000 0.536 809 T N -1.732 112.806 114.554 -0.027 0.000 3.118 809 T HA 0.002 4.356 4.350 0.007 0.000 0.260 809 T C 1.860 176.548 174.700 -0.021 0.000 1.139 809 T CA 0.689 62.771 62.100 -0.030 0.000 1.085 809 T CB -0.159 68.683 68.868 -0.045 0.000 0.934 809 T HN 0.099 nan 8.240 nan 0.000 0.518 810 N N 1.062 119.753 118.700 -0.015 0.000 2.409 810 N HA 0.176 4.920 4.740 0.007 0.000 0.179 810 N C 0.529 176.028 175.510 -0.018 0.000 1.032 810 N CA 0.245 53.287 53.050 -0.013 0.000 0.898 810 N CB -0.178 38.304 38.487 -0.008 0.000 0.971 810 N HN 0.502 nan 8.380 nan 0.000 0.441 811 L N 1.002 122.217 121.223 -0.013 0.000 2.417 811 L HA 0.157 4.501 4.340 0.007 0.000 0.268 811 L C 1.726 178.577 176.870 -0.031 0.000 1.158 811 L CA -0.342 54.484 54.840 -0.022 0.000 0.819 811 L CB 0.876 42.943 42.059 0.013 0.000 1.112 811 L HN -0.080 nan 8.230 nan 0.000 0.458 812 L N 1.985 123.173 121.223 -0.058 0.000 2.072 812 L HA -0.041 4.303 4.340 0.007 0.000 0.205 812 L C -0.450 176.398 176.870 -0.036 0.000 1.079 812 L CA 0.944 55.752 54.840 -0.053 0.000 0.752 812 L CB -1.377 40.636 42.059 -0.076 0.000 0.906 812 L HN 0.565 nan 8.230 nan 0.000 0.436 813 P HA -0.186 nan 4.420 nan 0.000 0.215 813 P C 1.400 178.698 177.300 -0.003 0.000 1.153 813 P CA 1.209 64.302 63.100 -0.012 0.000 0.853 813 P CB 0.073 31.776 31.700 0.005 0.000 0.788 814 Q N -0.632 119.168 119.800 0.000 0.000 2.119 814 Q HA -0.145 4.200 4.340 0.007 0.000 0.201 814 Q C 2.316 178.312 176.000 -0.008 0.000 0.972 814 Q CA 1.440 57.242 55.803 -0.001 0.000 0.847 814 Q CB -0.754 27.984 28.738 -0.001 0.000 0.903 814 Q HN 0.388 nan 8.270 nan 0.000 0.433 815 Q N -0.749 119.044 119.800 -0.012 0.000 2.224 815 Q HA -0.067 4.277 4.340 0.007 0.000 0.203 815 Q C 1.953 177.949 176.000 -0.007 0.000 0.970 815 Q CA 1.004 56.799 55.803 -0.012 0.000 0.865 815 Q CB -0.114 28.613 28.738 -0.017 0.000 0.922 815 Q HN 0.435 nan 8.270 nan 0.000 0.445 816 A N 0.080 122.896 122.820 -0.007 0.000 1.902 816 A HA -0.194 4.130 4.320 0.007 0.000 0.217 816 A C 2.247 179.835 177.584 0.006 0.000 1.181 816 A CA 1.263 53.299 52.037 -0.002 0.000 0.623 816 A CB -0.794 18.203 19.000 -0.004 0.000 0.818 816 A HN 0.482 nan 8.150 nan 0.000 0.443 817 C N -0.830 118.474 119.300 0.008 0.000 2.457 817 C HA 0.041 4.505 4.460 0.007 0.000 0.278 817 C C 2.591 177.592 174.990 0.019 0.000 1.309 817 C CA 0.774 59.801 59.018 0.016 0.000 1.735 817 C CB -1.433 26.316 27.740 0.015 0.000 1.992 817 C HN 0.617 nan 8.230 nan 0.000 0.493 818 L N 0.239 121.468 121.223 0.009 0.000 2.141 818 L HA -0.195 4.149 4.340 0.007 0.000 0.209 818 L C 2.720 179.604 176.870 0.022 0.000 1.094 818 L CA 1.430 56.276 54.840 0.010 0.000 0.763 818 L CB -0.692 41.363 42.059 -0.006 0.000 0.908 818 L HN 0.449 nan 8.230 nan 0.000 0.437 819 Q N -0.758 119.052 119.800 0.017 0.000 2.172 819 Q HA -0.184 4.161 4.340 0.007 0.000 0.200 819 Q C 2.314 178.331 176.000 0.029 0.000 0.964 819 Q CA 1.149 56.963 55.803 0.019 0.000 0.855 819 Q CB -0.046 28.697 28.738 0.009 0.000 0.918 819 Q HN 0.483 nan 8.270 nan 0.000 0.444 820 M N 0.230 119.850 119.600 0.033 0.000 2.082 820 M HA -0.227 4.257 4.480 0.007 0.000 0.258 820 M C 1.586 177.932 176.300 0.078 0.000 1.069 820 M CA 1.600 56.926 55.300 0.044 0.000 1.102 820 M CB 0.012 32.639 32.600 0.045 0.000 1.336 820 M HN 0.225 nan 8.290 nan 0.000 0.404 821 L N -1.226 120.061 121.223 0.106 0.000 2.554 821 L HA 0.135 4.479 4.340 0.007 0.000 0.226 821 L C 1.322 178.308 176.870 0.195 0.000 1.137 821 L CA 0.372 55.334 54.840 0.204 0.000 0.863 821 L CB -0.423 41.728 42.059 0.154 0.000 0.985 821 L HN 0.652 nan 8.230 nan 0.000 0.451 822 G N 0.532 109.393 108.800 0.101 0.000 2.143 822 G HA2 -0.279 3.686 3.960 0.007 0.000 0.248 822 G HA3 -0.279 3.686 3.960 0.007 0.000 0.248 822 G C 0.702 175.642 174.900 0.067 0.000 0.991 822 G CA 0.464 45.608 45.100 0.074 0.000 0.689 822 G HN 0.352 nan 8.290 nan 0.000 0.522 823 V N -2.782 117.166 119.914 0.057 0.000 3.427 823 V HA 0.468 4.592 4.120 0.007 0.000 0.305 823 V C 0.885 176.983 176.094 0.007 0.000 1.412 823 V CA 0.578 62.897 62.300 0.031 0.000 1.086 823 V CB 0.797 32.633 31.823 0.020 0.000 0.964 823 V HN 0.380 nan 8.190 nan 0.000 0.439 824 Q N 2.253 122.058 119.800 0.009 0.000 2.263 824 Q HA 0.413 4.757 4.340 0.007 0.000 0.289 824 Q C 0.681 176.677 176.000 -0.005 0.000 1.061 824 Q CA 1.930 57.731 55.803 -0.003 0.000 0.927 824 Q CB 0.398 29.136 28.738 0.000 0.000 1.154 824 Q HN 1.149 nan 8.270 nan 0.000 0.378 825 G N 2.731 111.523 108.800 -0.015 0.000 2.725 825 G HA2 -0.127 3.838 3.960 0.007 0.000 0.220 825 G HA3 -0.127 3.838 3.960 0.007 0.000 0.220 825 G C -0.795 174.094 174.900 -0.018 0.000 1.357 825 G CA -0.382 44.709 45.100 -0.014 0.000 0.866 825 G HN 1.006 nan 8.290 nan 0.000 0.548 826 A N -0.953 121.860 122.820 -0.011 0.000 2.409 826 A HA 0.528 4.853 4.320 0.007 0.000 0.267 826 A C 0.895 178.484 177.584 0.008 0.000 1.127 826 A CA 0.717 52.747 52.037 -0.012 0.000 0.795 826 A CB 0.429 19.436 19.000 0.013 0.000 1.061 826 A HN 2.240 nan 8.150 nan 0.000 0.502 827 C N 3.803 123.105 119.300 0.003 0.000 2.566 827 C HA 0.283 4.747 4.460 0.007 0.000 0.393 827 C C 1.562 176.577 174.990 0.042 0.000 1.309 827 C CA -0.473 58.557 59.018 0.019 0.000 1.801 827 C CB -1.181 26.567 27.740 0.013 0.000 2.493 827 C HN 1.033 nan 8.230 nan 0.000 0.575 828 K N 2.713 123.139 120.400 0.044 0.000 1.984 828 K HA -0.091 4.234 4.320 0.007 0.000 0.209 828 K C 1.305 177.941 176.600 0.060 0.000 1.046 828 K CA 2.254 58.574 56.287 0.056 0.000 0.934 828 K CB -0.067 32.457 32.500 0.041 0.000 0.717 828 K HN 0.852 nan 8.250 nan 0.000 0.438 829 D N -1.207 119.220 120.400 0.045 0.000 2.339 829 D HA -0.032 4.612 4.640 0.007 0.000 0.217 829 D C -0.031 176.296 176.300 0.045 0.000 1.050 829 D CA 0.158 54.183 54.000 0.042 0.000 0.856 829 D CB 0.067 40.885 40.800 0.031 0.000 0.922 829 D HN -0.002 nan 8.370 nan 0.000 0.518 830 N N 0.287 119.016 118.700 0.048 0.000 2.697 830 N HA 0.222 4.966 4.740 0.007 0.000 0.253 830 N C -2.918 172.620 175.510 0.046 0.000 1.604 830 N CA -1.733 51.345 53.050 0.046 0.000 0.772 830 N CB 0.673 39.181 38.487 0.034 0.000 1.267 830 N HN -0.209 nan 8.380 nan 0.000 0.510 831 P HA 0.118 nan 4.420 nan 0.000 0.263 831 P C 0.944 178.240 177.300 -0.006 0.000 1.168 831 P CA 1.240 64.375 63.100 0.058 0.000 0.759 831 P CB 0.466 32.292 31.700 0.210 0.000 0.782 832 G N 2.287 111.038 108.800 -0.080 0.000 2.199 832 G HA2 -0.315 3.650 3.960 0.007 0.000 0.254 832 G HA3 -0.315 3.650 3.960 0.007 0.000 0.254 832 G C 1.125 176.000 174.900 -0.041 0.000 0.982 832 G CA 0.613 45.666 45.100 -0.078 0.000 0.632 832 G HN 0.547 nan 8.290 nan 0.000 0.529 833 E N 1.024 121.213 120.200 -0.020 0.000 2.107 833 E HA 0.015 4.369 4.350 0.007 0.000 0.191 833 E C 2.251 178.847 176.600 -0.006 0.000 0.982 833 E CA 1.669 58.067 56.400 -0.003 0.000 0.809 833 E CB -0.313 29.394 29.700 0.012 0.000 0.756 833 E HN 0.461 nan 8.360 nan 0.000 0.459 834 N N 0.324 119.016 118.700 -0.014 0.000 2.142 834 N HA -0.090 4.654 4.740 0.007 0.000 0.186 834 N C 1.541 177.033 175.510 -0.030 0.000 1.023 834 N CA 1.626 54.668 53.050 -0.013 0.000 0.852 834 N CB -0.604 37.873 38.487 -0.016 0.000 0.998 834 N HN 0.289 nan 8.380 nan 0.000 0.424 835 A N 0.924 123.715 122.820 -0.048 0.000 1.969 835 A HA -0.053 4.271 4.320 0.007 0.000 0.218 835 A C 2.252 179.809 177.584 -0.044 0.000 1.169 835 A CA 0.994 52.997 52.037 -0.057 0.000 0.635 835 A CB -0.294 18.663 19.000 -0.072 0.000 0.810 835 A HN 0.187 nan 8.150 nan 0.000 0.445 836 R N -1.269 119.211 120.500 -0.034 0.000 2.075 836 R HA -0.133 4.212 4.340 0.007 0.000 0.232 836 R C 2.486 178.767 176.300 -0.033 0.000 1.126 836 R CA 1.548 57.632 56.100 -0.027 0.000 0.963 836 R CB -0.201 30.089 30.300 -0.016 0.000 0.858 836 R HN 0.598 nan 8.270 nan 0.000 0.435 837 Q N 0.889 120.672 119.800 -0.028 0.000 2.084 837 Q HA -0.155 4.189 4.340 0.007 0.000 0.202 837 Q C 1.869 177.808 176.000 -0.101 0.000 0.978 837 Q CA 1.389 57.166 55.803 -0.043 0.000 0.844 837 Q CB -0.284 28.460 28.738 0.010 0.000 0.898 837 Q HN 0.219 nan 8.270 nan 0.000 0.426 838 L N 0.047 121.225 121.223 -0.075 0.000 2.083 838 L HA -0.007 4.337 4.340 0.007 0.000 0.209 838 L C 2.037 178.864 176.870 -0.072 0.000 1.083 838 L CA 2.179 56.968 54.840 -0.084 0.000 0.752 838 L CB -1.067 40.954 42.059 -0.063 0.000 0.899 838 L HN 0.249 nan 8.230 nan 0.000 0.433 839 A N -0.525 122.266 122.820 -0.048 0.000 1.902 839 A HA -0.203 4.122 4.320 0.007 0.000 0.217 839 A C 2.440 179.997 177.584 -0.044 0.000 1.181 839 A CA 1.667 53.691 52.037 -0.020 0.000 0.623 839 A CB -0.524 18.470 19.000 -0.010 0.000 0.818 839 A HN 0.486 nan 8.150 nan 0.000 0.443 840 R N -0.791 119.663 120.500 -0.076 0.000 2.115 840 R HA -0.004 4.341 4.340 0.007 0.000 0.230 840 R C 1.869 178.071 176.300 -0.162 0.000 1.111 840 R CA 1.426 57.468 56.100 -0.098 0.000 0.976 840 R CB -0.387 29.857 30.300 -0.094 0.000 0.870 840 R HN 0.581 nan 8.270 nan 0.000 0.445 841 I N -0.135 120.291 120.570 -0.241 0.000 2.353 841 I HA -0.211 3.963 4.170 0.007 0.000 0.248 841 I C 2.064 178.091 176.117 -0.149 0.000 1.119 841 I CA 0.834 61.945 61.300 -0.314 0.000 1.417 841 I CB -0.000 37.748 38.000 -0.419 0.000 1.078 841 I HN -0.040 nan 8.210 nan 0.000 0.421 842 V N -0.256 119.611 119.914 -0.078 0.000 2.427 842 V HA -0.312 3.812 4.120 0.007 0.000 0.248 842 V C 2.469 178.546 176.094 -0.028 0.000 1.051 842 V CA 1.744 64.033 62.300 -0.018 0.000 1.048 842 V CB -0.308 31.552 31.823 0.063 0.000 0.666 842 V HN 0.632 nan 8.190 nan 0.000 0.456 843 C N 0.683 119.963 119.300 -0.033 0.000 2.457 843 C HA 0.043 4.508 4.460 0.007 0.000 0.278 843 C C 2.889 177.860 174.990 -0.032 0.000 1.309 843 C CA 0.763 59.767 59.018 -0.024 0.000 1.735 843 C CB -1.398 26.331 27.740 -0.019 0.000 1.992 843 C HN 0.621 nan 8.230 nan 0.000 0.493 844 G N -0.468 108.301 108.800 -0.052 0.000 2.403 844 G HA2 -0.102 3.862 3.960 0.007 0.000 0.216 844 G HA3 -0.102 3.862 3.960 0.007 0.000 0.216 844 G C 1.772 176.653 174.900 -0.032 0.000 1.154 844 G CA 1.527 46.601 45.100 -0.045 0.000 0.784 844 G HN 0.528 nan 8.290 nan 0.000 0.538 845 T N 0.838 115.368 114.554 -0.041 0.000 2.812 845 T HA -0.057 4.297 4.350 0.007 0.000 0.264 845 T C 2.547 177.232 174.700 -0.024 0.000 1.042 845 T CA 0.960 63.044 62.100 -0.027 0.000 1.140 845 T CB -0.169 68.679 68.868 -0.033 0.000 0.870 845 T HN 0.042 nan 8.240 nan 0.000 0.445 846 V N 1.789 121.684 119.914 -0.030 0.000 2.332 846 V HA -0.213 3.912 4.120 0.007 0.000 0.248 846 V C 2.451 178.549 176.094 0.007 0.000 1.055 846 V CA 1.845 64.131 62.300 -0.023 0.000 1.038 846 V CB -0.567 31.244 31.823 -0.021 0.000 0.651 846 V HN 0.483 nan 8.190 nan 0.000 0.450 847 M N -0.369 119.230 119.600 -0.002 0.000 2.159 847 M HA -0.143 4.341 4.480 0.007 0.000 0.263 847 M C 2.115 178.418 176.300 0.005 0.000 1.063 847 M CA 1.986 57.284 55.300 -0.004 0.000 1.110 847 M CB -0.242 32.343 32.600 -0.025 0.000 1.374 847 M HN 0.365 nan 8.290 nan 0.000 0.411 848 A N -0.061 122.764 122.820 0.008 0.000 1.902 848 A HA -0.056 4.269 4.320 0.007 0.000 0.217 848 A C 2.222 179.834 177.584 0.046 0.000 1.181 848 A CA 1.782 53.831 52.037 0.019 0.000 0.623 848 A CB -1.559 17.451 19.000 0.017 0.000 0.818 848 A HN 0.610 nan 8.150 nan 0.000 0.443 849 G N -0.968 107.871 108.800 0.065 0.000 2.484 849 G HA2 -0.062 3.902 3.960 0.007 0.000 0.218 849 G HA3 -0.062 3.902 3.960 0.007 0.000 0.218 849 G C 1.370 176.428 174.900 0.263 0.000 1.130 849 G CA 0.788 45.991 45.100 0.173 0.000 0.784 849 G HN 0.476 nan 8.290 nan 0.000 0.543 850 E N 0.370 120.652 120.200 0.136 0.000 2.033 850 E HA 0.039 4.393 4.350 0.007 0.000 0.189 850 E C 2.584 179.197 176.600 0.022 0.000 0.979 850 E CA 0.033 56.480 56.400 0.079 0.000 0.802 850 E CB -0.483 29.248 29.700 0.052 0.000 0.763 850 E HN 0.336 nan 8.360 nan 0.000 0.449 851 L N 0.933 122.166 121.223 0.016 0.000 2.021 851 L HA -0.263 4.081 4.340 0.007 0.000 0.215 851 L C 2.659 179.530 176.870 0.001 0.000 1.074 851 L CA 1.532 56.372 54.840 -0.000 0.000 0.760 851 L CB -0.297 41.761 42.059 -0.002 0.000 0.889 851 L HN 0.145 nan 8.230 nan 0.000 0.433 852 S N -0.742 114.968 115.700 0.018 0.000 2.362 852 S HA -0.140 4.334 4.470 0.007 0.000 0.221 852 S C 1.763 176.354 174.600 -0.015 0.000 1.032 852 S CA 0.936 59.145 58.200 0.014 0.000 0.973 852 S CB -0.115 63.110 63.200 0.041 0.000 0.849 852 S HN 0.311 nan 8.310 nan 0.000 0.465 853 L N 1.614 122.805 121.223 -0.054 0.000 2.093 853 L HA 0.131 4.476 4.340 0.007 0.000 0.208 853 L C 2.135 178.934 176.870 -0.118 0.000 1.085 853 L CA 1.766 56.508 54.840 -0.163 0.000 0.755 853 L CB -0.651 41.109 42.059 -0.499 0.000 0.904 853 L HN 0.298 nan 8.230 nan 0.000 0.435 854 M N -0.940 118.609 119.600 -0.084 0.000 2.254 854 M HA -0.036 4.448 4.480 0.007 0.000 0.265 854 M C 2.323 178.603 176.300 -0.033 0.000 1.066 854 M CA 1.435 56.702 55.300 -0.055 0.000 1.123 854 M CB -1.448 31.131 32.600 -0.035 0.000 1.388 854 M HN 0.420 nan 8.290 nan 0.000 0.425 855 A N 0.201 123.005 122.820 -0.026 0.000 1.897 855 A HA 0.082 4.406 4.320 0.007 0.000 0.215 855 A C 2.430 180.006 177.584 -0.014 0.000 1.181 855 A CA 1.762 53.790 52.037 -0.015 0.000 0.620 855 A CB -0.814 18.180 19.000 -0.010 0.000 0.821 855 A HN 0.437 nan 8.150 nan 0.000 0.443 856 A N -0.113 122.696 122.820 -0.019 0.000 1.908 856 A HA -0.076 4.248 4.320 0.007 0.000 0.218 856 A C 2.153 179.732 177.584 -0.008 0.000 1.181 856 A CA 1.583 53.613 52.037 -0.012 0.000 0.627 856 A CB -0.625 18.365 19.000 -0.015 0.000 0.818 856 A HN 0.471 nan 8.150 nan 0.000 0.445 857 L N -0.999 120.210 121.223 -0.023 0.000 2.141 857 L HA -0.131 4.214 4.340 0.007 0.000 0.209 857 L C 2.999 179.864 176.870 -0.009 0.000 1.094 857 L CA 0.893 55.721 54.840 -0.020 0.000 0.763 857 L CB -0.437 41.599 42.059 -0.038 0.000 0.908 857 L HN 0.428 nan 8.230 nan 0.000 0.437 858 A N -0.160 122.655 122.820 -0.009 0.000 2.014 858 A HA -0.034 4.290 4.320 0.007 0.000 0.218 858 A C 2.468 180.054 177.584 0.003 0.000 1.163 858 A CA 1.471 53.506 52.037 -0.003 0.000 0.652 858 A CB -0.428 18.570 19.000 -0.004 0.000 0.808 858 A HN 0.381 nan 8.150 nan 0.000 0.449 859 A N -1.454 121.369 122.820 0.006 0.000 1.874 859 A HA 0.462 4.786 4.320 0.007 0.000 0.214 859 A C 1.618 179.217 177.584 0.026 0.000 1.189 859 A CA 1.753 53.797 52.037 0.012 0.000 0.615 859 A CB -0.785 18.220 19.000 0.008 0.000 0.830 859 A HN 2.038 nan 8.150 nan 0.000 0.443 860 G N -2.810 106.011 108.800 0.036 0.000 2.396 860 G HA2 0.288 4.253 3.960 0.007 0.000 0.254 860 G HA3 0.288 4.253 3.960 0.007 0.000 0.254 860 G C -0.098 174.878 174.900 0.127 0.000 1.248 860 G CA 0.227 45.360 45.100 0.055 0.000 1.033 860 G HN 1.663 nan 8.290 nan 0.000 0.502 861 H N 0.000 119.064 119.070 -0.010 0.000 2.539 861 H HA 0.000 4.559 4.556 0.005 0.000 0.296 861 H CA 0.000 56.042 56.048 -0.009 0.000 1.023 861 H CB 0.000 29.757 29.762 -0.008 0.000 1.292 861 H HN 0.000 nan 8.280 nan 0.000 0.496