REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1hwj_1_A DATA FIRST_RESID 442 DATA SEQUENCE PRPNEECLQI XXXXXXXXXX LSDAEIIQLV NAKHIPAYKL ETLIETHERG DATA SEQUENCE VSIRRQLLSK KLSEPSSLQY LPYRDYNYSL VMGACCENVI GYMPIPVGVA DATA SEQUENCE GPLCLDEKEF QVPMATTEGC LVASTNRGCR AIGLGGGASS RVLADGMTRG DATA SEQUENCE PVVRLPRACD SAEVKAWLET SEGFAVIKEA FDSTSRFARL QKLHTSIAGR DATA SEQUENCE NLYIRFQSRS GDAMGMNMIS KGTEKALSKL HEYFPEMQIL AVSGNYCTDK DATA SEQUENCE KPAAINWIEG RGKSVVCEAV IPAKVVREVL KTTTEAMIEV NINKNLVGSA DATA SEQUENCE MAGSIGGYNA HAANIVTAIY IACGQDAAQN VGSSNCITLM EASGPTNEDL DATA SEQUENCE YISCTMPSIE IGTVGGGTNL LPQQACLQML GVQGACKDNP GENARQLARI DATA SEQUENCE VCGTVMAGEL SLMAALAAGH 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 442 P HA 0.000 nan 4.420 nan 0.000 0.216 442 P C 0.000 177.292 177.300 -0.013 0.000 1.155 442 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 442 P CB 0.000 31.692 31.700 -0.013 0.000 0.726 443 R N 1.841 122.333 120.500 -0.013 0.000 2.738 443 R HA 0.405 4.670 4.340 -0.125 0.000 0.268 443 R C -2.159 174.131 176.300 -0.016 0.000 1.062 443 R CA -1.241 54.851 56.100 -0.013 0.000 1.158 443 R CB -0.020 30.273 30.300 -0.012 0.000 1.046 443 R HN 0.155 nan 8.270 nan 0.000 0.493 444 P HA 0.033 nan 4.420 nan 0.000 0.272 444 P C -0.061 177.227 177.300 -0.021 0.000 1.230 444 P CA -0.245 62.843 63.100 -0.018 0.000 0.788 444 P CB 0.565 32.256 31.700 -0.016 0.000 0.949 445 N N 0.928 119.613 118.700 -0.026 0.000 2.223 445 N HA -0.168 4.497 4.740 -0.125 0.000 0.185 445 N C 1.466 176.961 175.510 -0.025 0.000 1.016 445 N CA 1.052 54.084 53.050 -0.029 0.000 0.863 445 N CB -0.319 38.146 38.487 -0.038 0.000 0.983 445 N HN 0.607 nan 8.380 nan 0.000 0.429 446 E N 1.001 121.189 120.200 -0.020 0.000 2.150 446 E HA -0.136 4.139 4.350 -0.125 0.000 0.193 446 E C 1.207 177.798 176.600 -0.015 0.000 0.985 446 E CA 0.830 57.220 56.400 -0.017 0.000 0.814 446 E CB 0.178 29.870 29.700 -0.014 0.000 0.752 446 E HN 0.430 nan 8.360 nan 0.000 0.466 447 E N -0.491 119.700 120.200 -0.015 0.000 2.112 447 E HA -0.105 4.169 4.350 -0.125 0.000 0.190 447 E C 1.900 178.492 176.600 -0.014 0.000 0.979 447 E CA 0.765 57.157 56.400 -0.013 0.000 0.814 447 E CB 0.037 29.730 29.700 -0.012 0.000 0.762 447 E HN 0.313 nan 8.360 nan 0.000 0.460 448 C N 1.268 120.558 119.300 -0.017 0.000 2.485 448 C HA 0.008 4.393 4.460 -0.125 0.000 0.283 448 C C 2.012 176.991 174.990 -0.018 0.000 1.478 448 C CA 0.198 59.205 59.018 -0.018 0.000 1.741 448 C CB -1.344 26.383 27.740 -0.022 0.000 1.675 448 C HN 0.377 nan 8.230 nan 0.000 0.573 449 L N 0.982 122.195 121.223 -0.017 0.000 2.610 449 L HA -0.075 4.190 4.340 -0.125 0.000 0.232 449 L C 2.028 178.890 176.870 -0.013 0.000 1.149 449 L CA 0.412 55.242 54.840 -0.016 0.000 0.872 449 L CB -0.597 41.453 42.059 -0.015 0.000 0.992 449 L HN 0.613 nan 8.230 nan 0.000 0.447 450 Q N 0.258 120.051 119.800 -0.012 0.000 1.893 450 Q HA 0.162 4.427 4.340 -0.125 0.000 0.752 450 Q C 0.349 176.342 176.000 -0.011 0.000 0.969 450 Q CA 0.335 56.132 55.803 -0.010 0.000 0.742 450 Q CB 0.252 28.985 28.738 -0.009 0.000 3.246 450 Q HN -0.021 nan 8.270 nan 0.000 0.230 463 S N -0.490 115.204 115.700 -0.009 0.000 2.651 463 S HA 0.489 4.884 4.470 -0.125 0.000 0.291 463 S C 0.240 174.835 174.600 -0.009 0.000 1.141 463 S CA -0.092 58.104 58.200 -0.007 0.000 1.027 463 S CB 1.316 64.511 63.200 -0.008 0.000 1.043 463 S HN 0.414 nan 8.310 nan 0.000 0.530 464 D N 2.498 122.894 120.400 -0.007 0.000 2.078 464 D HA 0.015 4.580 4.640 -0.125 0.000 0.193 464 D C 2.082 178.373 176.300 -0.016 0.000 0.990 464 D CA 2.030 56.024 54.000 -0.010 0.000 0.827 464 D CB -0.454 40.344 40.800 -0.004 0.000 0.975 464 D HN 0.672 nan 8.370 nan 0.000 0.451 465 A N 0.382 123.193 122.820 -0.015 0.000 2.070 465 A HA -0.187 4.058 4.320 -0.125 0.000 0.220 465 A C 1.906 179.477 177.584 -0.022 0.000 1.159 465 A CA 1.421 53.447 52.037 -0.019 0.000 0.656 465 A CB -0.470 18.520 19.000 -0.016 0.000 0.800 465 A HN 0.276 nan 8.150 nan 0.000 0.453 466 E N -0.462 119.725 120.200 -0.020 0.000 2.158 466 E HA -0.028 4.246 4.350 -0.125 0.000 0.191 466 E C 1.734 178.317 176.600 -0.028 0.000 0.982 466 E CA 0.820 57.206 56.400 -0.023 0.000 0.823 466 E CB -0.174 29.514 29.700 -0.019 0.000 0.766 466 E HN 0.710 nan 8.360 nan 0.000 0.468 467 I N 1.097 121.651 120.570 -0.027 0.000 2.252 467 I HA -0.234 3.861 4.170 -0.125 0.000 0.245 467 I C 2.300 178.394 176.117 -0.038 0.000 1.102 467 I CA 0.981 62.263 61.300 -0.031 0.000 1.385 467 I CB -0.187 37.797 38.000 -0.027 0.000 1.064 467 I HN 0.086 nan 8.210 nan 0.000 0.414 468 I N 0.427 120.975 120.570 -0.036 0.000 2.286 468 I HA -0.322 3.773 4.170 -0.125 0.000 0.248 468 I C 2.659 178.750 176.117 -0.044 0.000 1.115 468 I CA 1.464 62.741 61.300 -0.039 0.000 1.392 468 I CB -0.410 37.569 38.000 -0.034 0.000 1.065 468 I HN 0.380 nan 8.210 nan 0.000 0.418 469 Q N 0.640 120.414 119.800 -0.043 0.000 2.245 469 Q HA -0.156 4.109 4.340 -0.125 0.000 0.201 469 Q C 2.286 178.247 176.000 -0.064 0.000 0.955 469 Q CA 0.871 56.644 55.803 -0.050 0.000 0.870 469 Q CB 0.217 28.931 28.738 -0.040 0.000 0.945 469 Q HN 0.437 nan 8.270 nan 0.000 0.461 470 L N 0.342 121.530 121.223 -0.058 0.000 2.179 470 L HA -0.051 4.214 4.340 -0.125 0.000 0.208 470 L C 2.116 178.938 176.870 -0.080 0.000 1.096 470 L CA 0.910 55.711 54.840 -0.065 0.000 0.779 470 L CB -0.604 41.425 42.059 -0.049 0.000 0.922 470 L HN 0.151 nan 8.230 nan 0.000 0.443 471 V N 0.585 120.456 119.914 -0.071 0.000 2.270 471 V HA -0.253 3.792 4.120 -0.125 0.000 0.245 471 V C 2.361 178.399 176.094 -0.093 0.000 1.043 471 V CA 1.698 63.956 62.300 -0.071 0.000 1.014 471 V CB -0.608 31.182 31.823 -0.056 0.000 0.645 471 V HN 0.476 nan 8.190 nan 0.000 0.447 472 N N 0.188 118.831 118.700 -0.095 0.000 2.223 472 N HA -0.110 4.554 4.740 -0.125 0.000 0.185 472 N C 1.774 177.101 175.510 -0.306 0.000 1.016 472 N CA 1.615 54.593 53.050 -0.120 0.000 0.863 472 N CB -0.234 38.210 38.487 -0.072 0.000 0.983 472 N HN 0.516 nan 8.380 nan 0.000 0.429 473 A N 1.467 124.131 122.820 -0.260 0.000 1.843 473 A HA -0.008 4.237 4.320 -0.125 0.000 0.213 473 A C 1.735 179.091 177.584 -0.381 0.000 1.202 473 A CA 1.024 52.877 52.037 -0.308 0.000 0.607 473 A CB -0.061 18.843 19.000 -0.160 0.000 0.847 473 A HN 0.013 nan 8.150 nan 0.000 0.445 474 K N 0.443 120.709 120.400 -0.223 0.000 2.522 474 K HA 0.038 4.283 4.320 -0.125 0.000 0.194 474 K C -0.561 175.999 176.600 -0.068 0.000 1.026 474 K CA -0.099 56.110 56.287 -0.130 0.000 1.119 474 K CB -0.565 31.893 32.500 -0.069 0.000 0.856 474 K HN 0.586 nan 8.250 nan 0.000 0.513 475 H N 0.265 119.312 119.070 -0.038 0.000 2.496 475 H HA -0.192 4.289 4.556 -0.125 0.000 0.323 475 H C -0.210 175.078 175.328 -0.066 0.000 1.054 475 H CA 0.585 56.606 56.048 -0.045 0.000 1.095 475 H CB -2.023 27.718 29.762 -0.034 0.000 1.595 475 H HN 0.231 nan 8.280 nan 0.000 0.388 476 I N 2.073 122.642 120.570 -0.002 0.000 2.331 476 I HA 0.190 4.285 4.170 -0.125 0.000 0.292 476 I C -1.622 174.422 176.117 -0.122 0.000 0.998 476 I CA -1.755 59.504 61.300 -0.068 0.000 1.267 476 I CB 1.259 39.212 38.000 -0.078 0.000 1.386 476 I HN -0.063 nan 8.210 nan 0.000 0.476 477 P HA 0.037 nan 4.420 nan 0.000 0.268 477 P C 0.510 177.597 177.300 -0.354 0.000 1.204 477 P CA -0.059 62.819 63.100 -0.371 0.000 0.768 477 P CB 0.967 32.175 31.700 -0.820 0.000 0.842 478 A N 3.390 126.101 122.820 -0.182 0.000 2.076 478 A HA -0.221 4.024 4.320 -0.125 0.000 0.220 478 A C 1.586 179.146 177.584 -0.039 0.000 1.160 478 A CA 1.570 53.557 52.037 -0.083 0.000 0.653 478 A CB -1.587 17.404 19.000 -0.016 0.000 0.801 478 A HN 0.762 nan 8.150 nan 0.000 0.455 479 Y N -1.277 119.022 120.300 -0.002 0.000 2.616 479 Y HA 0.219 4.695 4.550 -0.124 0.000 0.296 479 Y C 1.314 177.218 175.900 0.006 0.000 1.154 479 Y CA 0.834 58.934 58.100 0.000 0.000 1.325 479 Y CB -0.343 38.119 38.460 0.003 0.000 1.007 479 Y HN 0.178 nan 8.280 nan 0.000 0.542 480 K N 0.571 120.920 120.400 -0.085 0.000 2.397 480 K HA 0.258 4.503 4.320 -0.125 0.000 0.202 480 K C 1.102 177.696 176.600 -0.011 0.000 1.022 480 K CA -0.068 56.202 56.287 -0.028 0.000 1.141 480 K CB 0.140 32.564 32.500 -0.126 0.000 0.857 480 K HN 0.394 nan 8.250 nan 0.000 0.514 481 L N 1.101 122.321 121.223 -0.006 0.000 2.275 481 L HA -0.132 4.133 4.340 -0.125 0.000 0.215 481 L C 1.781 178.664 176.870 0.022 0.000 1.119 481 L CA 0.904 55.741 54.840 -0.005 0.000 0.790 481 L CB -0.093 41.957 42.059 -0.016 0.000 0.919 481 L HN 0.197 nan 8.230 nan 0.000 0.443 482 E N -0.477 119.756 120.200 0.056 0.000 2.274 482 E HA -0.114 4.161 4.350 -0.125 0.000 0.194 482 E C 1.917 178.559 176.600 0.071 0.000 0.996 482 E CA 1.500 57.959 56.400 0.098 0.000 0.840 482 E CB -0.182 29.607 29.700 0.149 0.000 0.772 482 E HN 0.512 nan 8.360 nan 0.000 0.491 483 T N -2.106 112.478 114.554 0.050 0.000 3.122 483 T HA 0.280 4.555 4.350 -0.125 0.000 0.250 483 T C 1.599 176.305 174.700 0.010 0.000 1.067 483 T CA -0.111 62.008 62.100 0.033 0.000 0.966 483 T CB 0.145 69.036 68.868 0.038 0.000 1.002 483 T HN 0.017 nan 8.240 nan 0.000 0.542 484 L N 0.027 121.252 121.223 0.003 0.000 2.586 484 L HA 0.467 4.732 4.340 -0.125 0.000 0.204 484 L C 0.294 177.157 176.870 -0.012 0.000 1.053 484 L CA -0.299 54.536 54.840 -0.009 0.000 0.856 484 L CB 0.532 42.581 42.059 -0.017 0.000 1.192 484 L HN 0.286 nan 8.230 nan 0.000 0.484 485 I N -2.041 118.523 120.570 -0.010 0.000 2.970 485 I HA 0.152 4.247 4.170 -0.125 0.000 0.310 485 I C 1.521 177.623 176.117 -0.024 0.000 1.010 485 I CA -0.271 61.022 61.300 -0.013 0.000 1.228 485 I CB 0.263 38.258 38.000 -0.008 0.000 1.433 485 I HN 0.210 nan 8.210 nan 0.000 0.573 486 E N 1.779 121.965 120.200 -0.024 0.000 2.047 486 E HA -0.096 4.179 4.350 -0.125 0.000 0.191 486 E C 0.364 176.925 176.600 -0.065 0.000 0.987 486 E CA 1.526 57.904 56.400 -0.037 0.000 0.799 486 E CB -0.811 28.876 29.700 -0.021 0.000 0.752 486 E HN 0.796 nan 8.360 nan 0.000 0.449 487 T N -0.197 114.332 114.554 -0.041 0.000 2.902 487 T HA 0.237 4.512 4.350 -0.125 0.000 0.287 487 T C 0.828 175.493 174.700 -0.058 0.000 1.048 487 T CA -0.391 61.681 62.100 -0.047 0.000 0.941 487 T CB 0.796 69.686 68.868 0.037 0.000 1.432 487 T HN 0.176 nan 8.240 nan 0.000 0.586 488 H N -0.297 118.815 119.070 0.070 0.000 2.481 488 H HA 0.255 4.737 4.556 -0.124 0.000 0.291 488 H C 2.065 177.377 175.328 -0.027 0.000 1.009 488 H CA 0.758 56.831 56.048 0.043 0.000 1.282 488 H CB 0.073 29.926 29.762 0.151 0.000 1.457 488 H HN 0.705 nan 8.280 nan 0.000 0.525 489 E N 1.195 121.538 120.200 0.240 0.000 2.209 489 E HA -0.158 4.117 4.350 -0.125 0.000 0.196 489 E C 2.157 178.871 176.600 0.191 0.000 0.993 489 E CA 0.730 57.278 56.400 0.246 0.000 0.819 489 E CB 0.266 30.159 29.700 0.321 0.000 0.745 489 E HN 0.188 nan 8.360 nan 0.000 0.477 490 R N -0.844 119.728 120.500 0.120 0.000 2.127 490 R HA -0.004 4.261 4.340 -0.125 0.000 0.217 490 R C 2.322 178.631 176.300 0.016 0.000 1.074 490 R CA 0.891 57.037 56.100 0.077 0.000 0.991 490 R CB -0.160 30.173 30.300 0.054 0.000 0.895 490 R HN 0.231 nan 8.270 nan 0.000 0.450 491 G N -0.041 108.762 108.800 0.006 0.000 2.422 491 G HA2 -0.201 3.684 3.960 -0.125 0.000 0.218 491 G HA3 -0.201 3.684 3.960 -0.125 0.000 0.218 491 G C 1.325 176.181 174.900 -0.072 0.000 1.146 491 G CA 0.724 45.812 45.100 -0.020 0.000 0.769 491 G HN 0.156 nan 8.290 nan 0.000 0.547 492 V N 0.641 120.482 119.914 -0.122 0.000 2.307 492 V HA -0.165 3.880 4.120 -0.125 0.000 0.245 492 V C 3.006 178.950 176.094 -0.251 0.000 1.045 492 V CA 2.187 64.367 62.300 -0.199 0.000 1.024 492 V CB -0.412 31.246 31.823 -0.275 0.000 0.651 492 V HN 0.475 nan 8.190 nan 0.000 0.449 493 S N -0.244 115.317 115.700 -0.232 0.000 2.370 493 S HA -0.173 4.222 4.470 -0.125 0.000 0.226 493 S C 1.966 176.444 174.600 -0.202 0.000 1.033 493 S CA 1.598 59.596 58.200 -0.336 0.000 1.011 493 S CB -0.264 62.899 63.200 -0.062 0.000 0.852 493 S HN 0.390 nan 8.310 nan 0.000 0.457 494 I N 1.746 122.249 120.570 -0.112 0.000 2.252 494 I HA -0.090 4.005 4.170 -0.125 0.000 0.245 494 I C 2.618 178.680 176.117 -0.092 0.000 1.102 494 I CA 1.359 62.610 61.300 -0.082 0.000 1.385 494 I CB -1.448 36.521 38.000 -0.052 0.000 1.064 494 I HN 0.410 nan 8.210 nan 0.000 0.414 495 R N 1.146 121.587 120.500 -0.099 0.000 2.091 495 R HA -0.179 4.086 4.340 -0.125 0.000 0.238 495 R C 2.472 178.712 176.300 -0.100 0.000 1.136 495 R CA 1.515 57.565 56.100 -0.084 0.000 0.959 495 R CB -0.082 30.174 30.300 -0.074 0.000 0.856 495 R HN 0.273 nan 8.270 nan 0.000 0.437 496 R N 0.052 120.457 120.500 -0.158 0.000 2.081 496 R HA -0.146 4.118 4.340 -0.125 0.000 0.235 496 R C 2.522 178.748 176.300 -0.123 0.000 1.131 496 R CA 2.042 58.042 56.100 -0.168 0.000 0.960 496 R CB -0.258 29.867 30.300 -0.291 0.000 0.856 496 R HN 0.433 nan 8.270 nan 0.000 0.436 497 Q N 0.389 120.117 119.800 -0.121 0.000 2.124 497 Q HA -0.126 4.139 4.340 -0.125 0.000 0.202 497 Q C 2.221 178.186 176.000 -0.060 0.000 0.977 497 Q CA 1.169 56.923 55.803 -0.082 0.000 0.850 497 Q CB -0.071 28.623 28.738 -0.072 0.000 0.901 497 Q HN 0.355 nan 8.270 nan 0.000 0.429 498 L N 0.025 121.214 121.223 -0.057 0.000 2.027 498 L HA -0.195 4.070 4.340 -0.125 0.000 0.206 498 L C 2.334 179.183 176.870 -0.034 0.000 1.074 498 L CA 0.537 55.353 54.840 -0.040 0.000 0.745 498 L CB -0.383 41.653 42.059 -0.037 0.000 0.898 498 L HN 0.258 nan 8.230 nan 0.000 0.433 499 L N -0.600 120.599 121.223 -0.040 0.000 2.046 499 L HA -0.195 4.070 4.340 -0.125 0.000 0.208 499 L C 2.568 179.419 176.870 -0.031 0.000 1.077 499 L CA 1.794 56.615 54.840 -0.032 0.000 0.747 499 L CB -0.588 41.448 42.059 -0.038 0.000 0.896 499 L HN 0.097 nan 8.230 nan 0.000 0.432 500 S N -0.406 115.268 115.700 -0.042 0.000 2.420 500 S HA -0.207 4.188 4.470 -0.125 0.000 0.237 500 S C 1.842 176.426 174.600 -0.027 0.000 1.023 500 S CA 1.493 59.670 58.200 -0.038 0.000 0.991 500 S CB -0.336 62.834 63.200 -0.049 0.000 0.792 500 S HN 0.516 nan 8.310 nan 0.000 0.488 501 K N 0.867 121.252 120.400 -0.024 0.000 2.228 501 K HA 0.076 4.320 4.320 -0.125 0.000 0.202 501 K C 1.415 178.008 176.600 -0.012 0.000 1.051 501 K CA 0.613 56.890 56.287 -0.017 0.000 0.960 501 K CB -0.018 32.472 32.500 -0.016 0.000 0.743 501 K HN 0.257 nan 8.250 nan 0.000 0.458 502 K N 0.864 121.257 120.400 -0.011 0.000 2.505 502 K HA 0.125 4.370 4.320 -0.125 0.000 0.192 502 K C 0.354 176.950 176.600 -0.006 0.000 1.025 502 K CA 0.135 56.418 56.287 -0.006 0.000 1.086 502 K CB 0.083 32.581 32.500 -0.004 0.000 0.840 502 K HN 0.048 nan 8.250 nan 0.000 0.514 503 L N -0.364 120.854 121.223 -0.008 0.000 2.365 503 L HA 0.154 4.419 4.340 -0.125 0.000 0.267 503 L C 1.592 178.459 176.870 -0.005 0.000 1.033 503 L CA -0.406 54.429 54.840 -0.007 0.000 0.802 503 L CB 1.546 43.599 42.059 -0.009 0.000 1.267 503 L HN -0.012 nan 8.230 nan 0.000 0.457 504 S N -1.461 114.238 115.700 -0.003 0.000 2.478 504 S HA 0.087 4.482 4.470 -0.125 0.000 0.222 504 S C 0.409 175.008 174.600 -0.001 0.000 1.008 504 S CA 0.030 58.229 58.200 -0.001 0.000 0.928 504 S CB -0.023 63.178 63.200 0.001 0.000 0.781 504 S HN 0.647 nan 8.310 nan 0.000 0.518 505 E N 1.737 121.936 120.200 -0.001 0.000 2.437 505 E HA 0.288 4.563 4.350 -0.125 0.000 0.238 505 E C -2.457 174.139 176.600 -0.006 0.000 0.969 505 E CA -2.162 54.238 56.400 -0.000 0.000 0.759 505 E CB 1.767 31.470 29.700 0.005 0.000 1.283 505 E HN 0.159 nan 8.360 nan 0.000 0.416 506 P HA -0.183 nan 4.420 nan 0.000 0.221 506 P C 1.021 178.306 177.300 -0.025 0.000 1.145 506 P CA 1.099 64.189 63.100 -0.018 0.000 0.795 506 P CB 0.222 31.912 31.700 -0.017 0.000 0.775 507 S N -2.194 113.492 115.700 -0.022 0.000 2.582 507 S HA 0.086 4.481 4.470 -0.125 0.000 0.234 507 S C 1.607 176.191 174.600 -0.028 0.000 0.961 507 S CA 0.169 58.348 58.200 -0.035 0.000 0.953 507 S CB -0.999 62.181 63.200 -0.033 0.000 0.800 507 S HN 0.135 nan 8.310 nan 0.000 0.471 508 S N 1.544 117.236 115.700 -0.012 0.000 2.419 508 S HA 0.014 4.409 4.470 -0.125 0.000 0.233 508 S C 1.376 175.977 174.600 0.003 0.000 1.016 508 S CA 0.494 58.697 58.200 0.006 0.000 0.974 508 S CB -0.606 62.599 63.200 0.007 0.000 0.786 508 S HN 0.419 nan 8.310 nan 0.000 0.492 509 L N 1.700 122.908 121.223 -0.025 0.000 2.554 509 L HA 0.247 4.512 4.340 -0.125 0.000 0.226 509 L C 2.552 179.389 176.870 -0.056 0.000 1.137 509 L CA 0.758 55.578 54.840 -0.033 0.000 0.863 509 L CB -1.233 40.793 42.059 -0.054 0.000 0.985 509 L HN 0.435 nan 8.230 nan 0.000 0.451 510 Q N -0.230 119.503 119.800 -0.112 0.000 2.142 510 Q HA -0.282 3.983 4.340 -0.125 0.000 0.213 510 Q C 1.204 176.985 176.000 -0.365 0.000 1.004 510 Q CA 2.307 57.943 55.803 -0.279 0.000 0.883 510 Q CB -0.192 28.285 28.738 -0.434 0.000 0.939 510 Q HN 0.584 nan 8.270 nan 0.000 0.413 511 Y N -0.399 119.902 120.300 0.001 0.000 2.468 511 Y HA 0.244 4.718 4.550 -0.125 0.000 0.268 511 Y C 0.224 176.104 175.900 -0.034 0.000 1.177 511 Y CA -0.537 57.558 58.100 -0.009 0.000 1.265 511 Y CB 0.613 39.066 38.460 -0.010 0.000 1.103 511 Y HN 0.134 nan 8.280 nan 0.000 0.522 512 L N 3.984 125.241 121.223 0.057 0.000 2.295 512 L HA 0.314 4.579 4.340 -0.125 0.000 0.288 512 L C -2.498 174.342 176.870 -0.049 0.000 1.079 512 L CA -1.860 52.971 54.840 -0.016 0.000 0.830 512 L CB 0.787 42.834 42.059 -0.019 0.000 1.200 512 L HN -0.056 nan 8.230 nan 0.000 0.438 513 P HA 0.027 nan 4.420 nan 0.000 0.269 513 P C -0.866 176.264 177.300 -0.284 0.000 1.209 513 P CA 0.338 63.245 63.100 -0.321 0.000 0.776 513 P CB 0.408 31.701 31.700 -0.678 0.000 0.876 514 Y N -0.351 119.896 120.300 -0.088 0.000 2.472 514 Y HA 0.374 4.848 4.550 -0.126 0.000 0.283 514 Y C 0.308 176.453 175.900 0.409 0.000 1.038 514 Y CA -0.435 57.782 58.100 0.195 0.000 1.126 514 Y CB 0.070 38.613 38.460 0.138 0.000 1.374 514 Y HN -0.004 nan 8.280 nan 0.000 0.576 515 R N 2.924 123.206 120.500 -0.364 0.000 2.539 515 R HA 0.133 4.398 4.340 -0.125 0.000 0.275 515 R C -0.321 176.026 176.300 0.080 0.000 1.077 515 R CA 0.676 56.621 56.100 -0.259 0.000 1.097 515 R CB 0.117 30.180 30.300 -0.396 0.000 1.018 515 R HN 0.371 nan 8.270 nan 0.000 0.483 516 D N 0.103 120.551 120.400 0.079 0.000 3.076 516 D HA -0.259 4.306 4.640 -0.125 0.000 0.218 516 D C -0.754 175.554 176.300 0.014 0.000 1.156 516 D CA 1.230 55.263 54.000 0.055 0.000 0.921 516 D CB -1.052 39.764 40.800 0.028 0.000 1.113 516 D HN 0.449 nan 8.370 nan 0.000 0.418 517 Y N 1.595 121.823 120.300 -0.120 0.000 2.310 517 Y HA 0.259 4.733 4.550 -0.127 0.000 0.326 517 Y C 0.770 176.404 175.900 -0.443 0.000 1.151 517 Y CA -0.673 57.177 58.100 -0.417 0.000 1.195 517 Y CB 0.676 38.734 38.460 -0.671 0.000 1.210 517 Y HN -0.145 nan 8.280 nan 0.000 0.483 518 N N 5.181 123.193 118.700 -1.146 0.000 2.819 518 N HA -0.037 4.628 4.740 -0.125 0.000 0.284 518 N C -0.039 175.116 175.510 -0.592 0.000 1.196 518 N CA 0.051 52.686 53.050 -0.692 0.000 1.114 518 N CB -0.038 38.101 38.487 -0.581 0.000 1.437 518 N HN 0.761 nan 8.380 nan 0.000 0.518 519 Y N 0.428 120.675 120.300 -0.088 0.000 2.497 519 Y HA -0.224 4.252 4.550 -0.125 0.000 0.292 519 Y C 2.675 178.431 175.900 -0.241 0.000 1.137 519 Y CA 0.731 58.807 58.100 -0.040 0.000 1.285 519 Y CB -0.009 38.434 38.460 -0.029 0.000 0.991 519 Y HN 0.554 nan 8.280 nan 0.000 0.556 520 S N 0.113 115.795 115.700 -0.031 0.000 2.365 520 S HA -0.225 4.169 4.470 -0.125 0.000 0.225 520 S C 1.730 176.319 174.600 -0.019 0.000 1.039 520 S CA 1.530 59.735 58.200 0.008 0.000 1.033 520 S CB -0.770 62.501 63.200 0.118 0.000 0.887 520 S HN 0.311 nan 8.310 nan 0.000 0.447 521 L N 1.053 122.251 121.223 -0.040 0.000 2.395 521 L HA 0.229 4.494 4.340 -0.125 0.000 0.218 521 L C 2.429 179.301 176.870 0.004 0.000 1.130 521 L CA 0.554 55.379 54.840 -0.025 0.000 0.826 521 L CB -0.717 41.309 42.059 -0.055 0.000 0.941 521 L HN 0.254 nan 8.230 nan 0.000 0.451 522 V N -1.633 118.300 119.914 0.031 0.000 2.446 522 V HA -0.012 4.033 4.120 -0.125 0.000 0.244 522 V C 1.293 177.420 176.094 0.056 0.000 1.039 522 V CA 0.352 62.704 62.300 0.088 0.000 1.045 522 V CB -0.289 31.666 31.823 0.220 0.000 0.681 522 V HN 0.195 nan 8.190 nan 0.000 0.459 523 M N 0.608 120.212 119.600 0.006 0.000 2.252 523 M HA 0.252 4.657 4.480 -0.125 0.000 0.348 523 M C 1.451 177.764 176.300 0.021 0.000 1.334 523 M CA 0.782 56.079 55.300 -0.006 0.000 1.071 523 M CB -1.143 31.406 32.600 -0.085 0.000 1.763 523 M HN 0.436 nan 8.290 nan 0.000 0.452 524 G N 2.343 111.161 108.800 0.031 0.000 2.203 524 G HA2 -0.133 3.752 3.960 -0.125 0.000 0.263 524 G HA3 -0.133 3.752 3.960 -0.125 0.000 0.263 524 G C 0.562 175.476 174.900 0.023 0.000 1.012 524 G CA 0.921 46.039 45.100 0.030 0.000 0.749 524 G HN 1.099 nan 8.290 nan 0.000 0.512 525 A N -2.945 119.889 122.820 0.022 0.000 1.704 525 A HA 0.461 4.706 4.320 -0.125 0.000 0.205 525 A C 1.678 179.274 177.584 0.020 0.000 1.837 525 A CA 1.607 53.655 52.037 0.019 0.000 1.364 525 A CB -0.157 18.854 19.000 0.017 0.000 1.377 525 A HN 0.903 nan 8.150 nan 0.000 0.390 526 C N -1.031 118.287 119.300 0.030 0.000 3.545 526 C HA 0.606 4.991 4.460 -0.125 0.000 0.368 526 C C 0.550 175.562 174.990 0.037 0.000 1.400 526 C CA -0.083 58.955 59.018 0.033 0.000 1.848 526 C CB -0.575 27.192 27.740 0.044 0.000 2.576 526 C HN 0.695 nan 8.230 nan 0.000 0.683 527 C N 0.838 120.164 119.300 0.043 0.000 3.307 527 C HA 0.619 5.004 4.460 -0.125 0.000 0.333 527 C C -1.944 173.068 174.990 0.036 0.000 1.291 527 C CA -0.225 58.818 59.018 0.042 0.000 1.273 527 C CB 1.147 28.925 27.740 0.062 0.000 1.580 527 C HN 0.517 nan 8.230 nan 0.000 0.481 528 E N 1.546 121.759 120.200 0.021 0.000 2.359 528 E HA 0.542 4.817 4.350 -0.125 0.000 0.266 528 E C -0.417 176.197 176.600 0.024 0.000 0.920 528 E CA -0.442 55.966 56.400 0.013 0.000 0.788 528 E CB 0.622 30.303 29.700 -0.032 0.000 1.279 528 E HN 0.605 nan 8.360 nan 0.000 0.438 529 N N -0.651 118.075 118.700 0.043 0.000 2.714 529 N HA -0.148 4.517 4.740 -0.125 0.000 0.252 529 N C -0.980 174.546 175.510 0.028 0.000 1.014 529 N CA 0.443 53.525 53.050 0.053 0.000 0.735 529 N CB -1.666 36.854 38.487 0.056 0.000 0.924 529 N HN 0.200 nan 8.380 nan 0.000 0.540 530 V N 1.098 121.025 119.914 0.022 0.000 2.585 530 V HA 0.038 4.083 4.120 -0.125 0.000 0.296 530 V C 1.875 177.961 176.094 -0.014 0.000 1.035 530 V CA 0.372 62.690 62.300 0.030 0.000 1.084 530 V CB 0.555 32.420 31.823 0.069 0.000 0.953 530 V HN 0.442 nan 8.190 nan 0.000 0.483 531 I N 1.523 122.101 120.570 0.013 0.000 4.050 531 I HA 0.762 4.857 4.170 -0.125 0.000 0.327 531 I C 0.632 176.765 176.117 0.026 0.000 1.473 531 I CA 0.256 61.538 61.300 -0.029 0.000 1.124 531 I CB 0.423 38.398 38.000 -0.041 0.000 1.129 531 I HN 0.750 nan 8.210 nan 0.000 0.428 532 G N 1.687 110.578 108.800 0.152 0.000 2.291 532 G HA2 0.149 4.034 3.960 -0.125 0.000 0.249 532 G HA3 0.149 4.034 3.960 -0.125 0.000 0.249 532 G C -1.778 173.229 174.900 0.179 0.000 1.340 532 G CA -0.243 44.995 45.100 0.230 0.000 1.017 532 G HN 0.496 nan 8.290 nan 0.000 0.470 533 Y N -2.482 117.804 120.300 -0.023 0.000 2.571 533 Y HA 0.858 5.332 4.550 -0.126 0.000 0.341 533 Y C -0.614 175.238 175.900 -0.080 0.000 1.076 533 Y CA -1.777 56.223 58.100 -0.167 0.000 1.029 533 Y CB 1.892 40.056 38.460 -0.494 0.000 1.308 533 Y HN 0.826 nan 8.280 nan 0.000 0.461 534 M N 4.168 123.823 119.600 0.092 0.000 2.101 534 M HA 0.608 5.013 4.480 -0.125 0.000 0.340 534 M C -3.001 173.382 176.300 0.137 0.000 1.057 534 M CA -2.660 52.672 55.300 0.053 0.000 0.984 534 M CB 0.935 33.553 32.600 0.031 0.000 1.560 534 M HN 0.493 nan 8.290 nan 0.000 0.435 535 P HA 0.350 nan 4.420 nan 0.000 0.282 535 P C -1.259 176.089 177.300 0.081 0.000 1.274 535 P CA -0.246 62.946 63.100 0.154 0.000 0.770 535 P CB 0.401 32.197 31.700 0.161 0.000 0.867 536 I N 5.074 125.686 120.570 0.069 0.000 2.362 536 I HA 0.303 4.398 4.170 -0.125 0.000 0.289 536 I C -2.146 173.996 176.117 0.041 0.000 0.994 536 I CA -3.199 58.129 61.300 0.046 0.000 1.158 536 I CB 0.889 38.913 38.000 0.040 0.000 1.315 536 I HN 0.152 nan 8.210 nan 0.000 0.451 537 P HA 0.094 nan 4.420 nan 0.000 0.265 537 P C -0.515 176.801 177.300 0.027 0.000 1.193 537 P CA 0.003 63.120 63.100 0.029 0.000 0.765 537 P CB 0.596 32.310 31.700 0.022 0.000 0.823 538 V N 3.571 123.500 119.914 0.026 0.000 2.357 538 V HA 0.612 4.657 4.120 -0.125 0.000 0.284 538 V C 0.821 176.927 176.094 0.021 0.000 1.018 538 V CA -0.237 62.077 62.300 0.024 0.000 0.841 538 V CB 1.340 33.177 31.823 0.023 0.000 0.991 538 V HN 0.760 nan 8.190 nan 0.000 0.437 539 G N 2.651 111.463 108.800 0.020 0.000 2.552 539 G HA2 0.669 4.554 3.960 -0.125 0.000 0.324 539 G HA3 0.669 4.554 3.960 -0.125 0.000 0.324 539 G C -1.271 173.642 174.900 0.021 0.000 1.217 539 G CA -0.689 44.422 45.100 0.019 0.000 0.989 539 G HN 0.667 nan 8.290 nan 0.000 0.490 540 V N -0.428 119.499 119.914 0.021 0.000 2.638 540 V HA 0.800 4.845 4.120 -0.125 0.000 0.306 540 V C -0.422 175.688 176.094 0.026 0.000 1.052 540 V CA -0.428 61.887 62.300 0.025 0.000 0.885 540 V CB 1.412 33.251 31.823 0.026 0.000 0.999 540 V HN 1.342 nan 8.190 nan 0.000 0.424 541 A N 4.521 127.359 122.820 0.030 0.000 2.343 541 A HA 1.059 5.304 4.320 -0.125 0.000 0.316 541 A C 0.157 177.766 177.584 0.041 0.000 1.104 541 A CA 0.179 52.235 52.037 0.031 0.000 0.768 541 A CB 1.453 20.469 19.000 0.027 0.000 1.213 541 A HN 2.286 nan 8.150 nan 0.000 0.456 542 G N 1.457 110.280 108.800 0.038 0.000 2.359 542 G HA2 0.442 4.327 3.960 -0.125 0.000 0.293 542 G HA3 0.442 4.327 3.960 -0.125 0.000 0.293 542 G C -3.365 171.555 174.900 0.033 0.000 1.300 542 G CA -0.295 44.833 45.100 0.046 0.000 0.888 542 G HN 0.754 nan 8.290 nan 0.000 0.541 543 P HA 0.469 nan 4.420 nan 0.000 0.271 543 P C -0.821 176.516 177.300 0.061 0.000 1.218 543 P CA -0.262 62.864 63.100 0.042 0.000 0.780 543 P CB 1.719 33.428 31.700 0.016 0.000 0.901 544 L N 3.958 125.246 121.223 0.108 0.000 2.276 544 L HA 0.313 4.578 4.340 -0.125 0.000 0.286 544 L C -0.694 176.269 176.870 0.156 0.000 1.024 544 L CA -0.499 54.419 54.840 0.129 0.000 0.826 544 L CB 0.171 42.325 42.059 0.159 0.000 1.211 544 L HN 0.353 nan 8.230 nan 0.000 0.422 545 C N 6.325 125.682 119.300 0.095 0.000 2.289 545 C HA 0.554 4.939 4.460 -0.125 0.000 0.340 545 C C -0.048 175.006 174.990 0.107 0.000 1.152 545 C CA -0.639 58.425 59.018 0.076 0.000 1.650 545 C CB -1.020 26.743 27.740 0.038 0.000 2.203 545 C HN 0.683 nan 8.230 nan 0.000 0.511 546 L N 4.270 125.598 121.223 0.175 0.000 2.406 546 L HA 0.469 4.734 4.340 -0.125 0.000 0.272 546 L C -0.112 176.869 176.870 0.185 0.000 0.980 546 L CA 0.528 55.480 54.840 0.186 0.000 0.831 546 L CB 0.890 43.091 42.059 0.237 0.000 1.253 546 L HN 0.684 nan 8.230 nan 0.000 0.406 547 D N 4.170 124.637 120.400 0.110 0.000 2.708 547 D HA -0.248 4.317 4.640 -0.125 0.000 0.236 547 D C 0.211 176.550 176.300 0.065 0.000 1.146 547 D CA 1.269 55.321 54.000 0.087 0.000 0.662 547 D CB -0.472 40.389 40.800 0.102 0.000 1.059 547 D HN 0.979 nan 8.370 nan 0.000 0.428 548 E N -2.268 117.957 120.200 0.043 0.000 3.286 548 E HA -0.259 4.016 4.350 -0.125 0.000 0.292 548 E C 0.138 176.722 176.600 -0.027 0.000 0.928 548 E CA 1.204 57.610 56.400 0.010 0.000 0.982 548 E CB -0.538 29.168 29.700 0.009 0.000 1.500 548 E HN 0.524 nan 8.360 nan 0.000 0.441 549 K N 0.167 120.540 120.400 -0.045 0.000 2.346 549 K HA 0.556 4.801 4.320 -0.125 0.000 0.238 549 K C -0.424 176.019 176.600 -0.262 0.000 1.039 549 K CA -0.777 55.386 56.287 -0.207 0.000 0.861 549 K CB 1.672 33.959 32.500 -0.355 0.000 1.278 549 K HN -0.054 nan 8.250 nan 0.000 0.460 550 E N 1.113 121.052 120.200 -0.434 0.000 2.199 550 E HA 0.357 4.632 4.350 -0.125 0.000 0.265 550 E C -1.387 174.930 176.600 -0.472 0.000 0.882 550 E CA -0.498 55.728 56.400 -0.290 0.000 0.759 550 E CB 1.361 30.972 29.700 -0.149 0.000 1.148 550 E HN 0.256 nan 8.360 nan 0.000 0.412 551 F N 1.283 121.234 119.950 0.002 0.000 2.532 551 F HA 0.276 4.741 4.527 -0.104 0.000 0.321 551 F C 0.299 176.100 175.800 0.002 0.000 1.089 551 F CA -0.991 57.010 58.000 0.002 0.000 0.926 551 F CB 1.746 40.747 39.000 0.002 0.000 1.168 551 F HN 0.107 nan 8.300 nan 0.000 0.459 552 Q N 3.060 122.971 119.800 0.186 0.000 2.431 552 Q HA 0.343 4.608 4.340 -0.125 0.000 0.249 552 Q C -0.832 175.232 176.000 0.108 0.000 1.025 552 Q CA -0.505 55.362 55.803 0.106 0.000 0.835 552 Q CB 1.880 30.656 28.738 0.063 0.000 1.207 552 Q HN 0.396 nan 8.270 nan 0.000 0.490 553 V N 5.624 125.590 119.914 0.088 0.000 2.408 553 V HA 0.219 4.264 4.120 -0.125 0.000 0.267 553 V C -1.857 174.260 176.094 0.038 0.000 1.047 553 V CA -1.418 60.915 62.300 0.056 0.000 0.937 553 V CB 0.673 32.517 31.823 0.035 0.000 0.999 553 V HN 0.505 nan 8.190 nan 0.000 0.472 554 P HA 0.367 nan 4.420 nan 0.000 0.281 554 P C -0.913 176.401 177.300 0.024 0.000 1.252 554 P CA -0.306 62.810 63.100 0.027 0.000 0.778 554 P CB 0.955 32.669 31.700 0.024 0.000 0.895 555 M N 2.507 122.121 119.600 0.023 0.000 2.124 555 M HA 0.439 4.844 4.480 -0.125 0.000 0.280 555 M C -0.450 175.863 176.300 0.022 0.000 0.954 555 M CA -0.639 54.674 55.300 0.021 0.000 0.958 555 M CB 2.464 35.073 32.600 0.014 0.000 1.611 555 M HN 0.274 nan 8.290 nan 0.000 0.449 556 A N 2.601 125.437 122.820 0.027 0.000 2.279 556 A HA 0.751 4.996 4.320 -0.125 0.000 0.306 556 A C -0.138 177.460 177.584 0.023 0.000 1.300 556 A CA -0.174 51.879 52.037 0.027 0.000 0.925 556 A CB 0.534 19.554 19.000 0.033 0.000 1.152 556 A HN 0.753 nan 8.150 nan 0.000 0.544 557 T N 0.142 114.708 114.554 0.020 0.000 2.802 557 T HA 0.543 4.818 4.350 -0.125 0.000 0.311 557 T C 0.386 175.095 174.700 0.015 0.000 1.405 557 T CA 0.376 62.486 62.100 0.016 0.000 1.016 557 T CB 1.396 70.272 68.868 0.012 0.000 1.352 557 T HN 1.052 nan 8.240 nan 0.000 0.498 558 T N -0.849 113.713 114.554 0.012 0.000 3.231 558 T HA 0.392 4.667 4.350 -0.125 0.000 0.292 558 T C 0.133 174.838 174.700 0.008 0.000 1.001 558 T CA -0.316 61.790 62.100 0.010 0.000 0.920 558 T CB -0.036 68.838 68.868 0.008 0.000 1.140 558 T HN 0.558 nan 8.240 nan 0.000 0.525 559 E N 1.465 121.671 120.200 0.010 0.000 2.081 559 E HA 0.523 4.797 4.350 -0.125 0.000 0.281 559 E C 0.541 177.148 176.600 0.012 0.000 0.986 559 E CA -0.813 55.593 56.400 0.011 0.000 0.796 559 E CB 0.550 30.259 29.700 0.016 0.000 1.085 559 E HN 0.493 nan 8.360 nan 0.000 0.398 560 G N 2.574 111.379 108.800 0.008 0.000 2.353 560 G HA2 0.052 3.937 3.960 -0.125 0.000 0.239 560 G HA3 0.052 3.937 3.960 -0.125 0.000 0.239 560 G C 0.567 175.472 174.900 0.009 0.000 1.295 560 G CA 0.043 45.147 45.100 0.007 0.000 0.884 560 G HN 0.946 nan 8.290 nan 0.000 0.537 561 C N 1.042 120.348 119.300 0.011 0.000 5.189 561 C HA -0.192 4.193 4.460 -0.125 0.000 0.253 561 C C 2.266 177.270 174.990 0.024 0.000 1.601 561 C CA 0.504 59.529 59.018 0.012 0.000 1.533 561 C CB -2.145 25.596 27.740 0.002 0.000 2.164 561 C HN 0.849 nan 8.230 nan 0.000 0.604 562 L N 1.622 122.864 121.223 0.032 0.000 2.005 562 L HA -0.019 4.246 4.340 -0.125 0.000 0.207 562 L C 2.317 179.214 176.870 0.045 0.000 1.072 562 L CA 2.663 57.536 54.840 0.054 0.000 0.744 562 L CB -0.698 41.390 42.059 0.048 0.000 0.895 562 L HN 0.308 nan 8.230 nan 0.000 0.433 563 V N 0.349 120.281 119.914 0.029 0.000 2.343 563 V HA -0.291 3.754 4.120 -0.125 0.000 0.247 563 V C 2.831 178.941 176.094 0.026 0.000 1.051 563 V CA 1.661 63.975 62.300 0.025 0.000 1.036 563 V CB -1.523 30.312 31.823 0.020 0.000 0.654 563 V HN 0.626 nan 8.190 nan 0.000 0.451 564 A N 0.970 123.804 122.820 0.023 0.000 1.865 564 A HA -0.237 4.008 4.320 -0.125 0.000 0.217 564 A C 2.567 180.165 177.584 0.022 0.000 1.191 564 A CA 2.598 54.647 52.037 0.019 0.000 0.623 564 A CB -0.918 18.091 19.000 0.014 0.000 0.826 564 A HN 0.691 nan 8.150 nan 0.000 0.444 565 S N -0.908 114.808 115.700 0.027 0.000 2.382 565 S HA -0.150 4.245 4.470 -0.125 0.000 0.228 565 S C 1.830 176.457 174.600 0.044 0.000 1.027 565 S CA 1.905 60.124 58.200 0.030 0.000 0.991 565 S CB -1.241 61.977 63.200 0.029 0.000 0.823 565 S HN 0.504 nan 8.310 nan 0.000 0.469 566 T N 2.460 117.046 114.554 0.053 0.000 2.821 566 T HA -0.039 4.235 4.350 -0.125 0.000 0.267 566 T C 1.816 176.536 174.700 0.032 0.000 1.046 566 T CA 1.510 63.637 62.100 0.046 0.000 1.139 566 T CB -0.698 68.189 68.868 0.031 0.000 0.871 566 T HN 0.520 nan 8.240 nan 0.000 0.454 567 N N 1.106 119.823 118.700 0.028 0.000 2.120 567 N HA -0.087 4.578 4.740 -0.125 0.000 0.188 567 N C 1.914 177.437 175.510 0.023 0.000 1.024 567 N CA 1.176 54.241 53.050 0.025 0.000 0.852 567 N CB -0.184 38.316 38.487 0.022 0.000 1.003 567 N HN 0.317 nan 8.380 nan 0.000 0.424 568 R N -0.471 120.042 120.500 0.021 0.000 2.081 568 R HA -0.066 4.199 4.340 -0.125 0.000 0.235 568 R C 2.106 178.417 176.300 0.018 0.000 1.131 568 R CA 1.661 57.771 56.100 0.017 0.000 0.960 568 R CB -0.723 29.585 30.300 0.014 0.000 0.856 568 R HN 0.318 nan 8.270 nan 0.000 0.436 569 G N 0.176 108.990 108.800 0.023 0.000 2.418 569 G HA2 -0.282 3.603 3.960 -0.125 0.000 0.217 569 G HA3 -0.282 3.603 3.960 -0.125 0.000 0.217 569 G C 1.542 176.454 174.900 0.020 0.000 1.158 569 G CA 0.958 46.071 45.100 0.022 0.000 0.771 569 G HN 0.443 nan 8.290 nan 0.000 0.545 570 C N -0.282 119.032 119.300 0.023 0.000 2.425 570 C HA 0.034 4.418 4.460 -0.125 0.000 0.277 570 C C 2.828 177.832 174.990 0.023 0.000 1.280 570 C CA 0.959 59.993 59.018 0.027 0.000 1.744 570 C CB -0.839 26.921 27.740 0.033 0.000 1.989 570 C HN 0.576 nan 8.230 nan 0.000 0.491 571 R N 1.128 121.640 120.500 0.020 0.000 2.081 571 R HA -0.100 4.165 4.340 -0.125 0.000 0.235 571 R C 2.249 178.557 176.300 0.014 0.000 1.131 571 R CA 1.694 57.804 56.100 0.016 0.000 0.960 571 R CB -0.411 29.897 30.300 0.014 0.000 0.856 571 R HN 0.455 nan 8.270 nan 0.000 0.436 572 A N 0.925 123.752 122.820 0.013 0.000 1.940 572 A HA -0.147 4.098 4.320 -0.125 0.000 0.219 572 A C 2.142 179.732 177.584 0.011 0.000 1.176 572 A CA 1.490 53.533 52.037 0.011 0.000 0.631 572 A CB -0.498 18.506 19.000 0.008 0.000 0.814 572 A HN 0.386 nan 8.150 nan 0.000 0.446 573 I N -0.506 120.071 120.570 0.011 0.000 2.202 573 I HA -0.171 3.924 4.170 -0.125 0.000 0.242 573 I C 2.730 178.857 176.117 0.017 0.000 1.091 573 I CA 1.075 62.382 61.300 0.012 0.000 1.368 573 I CB -0.648 37.360 38.000 0.013 0.000 1.058 573 I HN 0.391 nan 8.210 nan 0.000 0.410 574 G N 1.048 109.860 108.800 0.019 0.000 2.440 574 G HA2 -0.208 3.677 3.960 -0.125 0.000 0.218 574 G HA3 -0.208 3.677 3.960 -0.125 0.000 0.218 574 G C 1.689 176.598 174.900 0.014 0.000 1.154 574 G CA 0.529 45.640 45.100 0.018 0.000 0.767 574 G HN 0.285 nan 8.290 nan 0.000 0.552 575 L N 0.732 121.963 121.223 0.013 0.000 2.362 575 L HA 0.076 4.341 4.340 -0.125 0.000 0.219 575 L C 2.752 179.630 176.870 0.014 0.000 1.134 575 L CA 0.594 55.441 54.840 0.012 0.000 0.807 575 L CB -0.126 41.939 42.059 0.011 0.000 0.927 575 L HN 0.336 nan 8.230 nan 0.000 0.447 576 G N -1.430 107.380 108.800 0.015 0.000 3.042 576 G HA2 0.280 4.165 3.960 -0.125 0.000 0.212 576 G HA3 0.280 4.165 3.960 -0.125 0.000 0.212 576 G C 1.169 176.082 174.900 0.021 0.000 1.166 576 G CA 0.476 45.587 45.100 0.018 0.000 0.767 576 G HN 0.456 nan 8.290 nan 0.000 0.546 577 G N -1.534 107.277 108.800 0.019 0.000 2.159 577 G HA2 0.328 4.213 3.960 -0.125 0.000 0.227 577 G HA3 0.328 4.213 3.960 -0.125 0.000 0.227 577 G C 0.860 175.774 174.900 0.023 0.000 0.986 577 G CA 0.430 45.542 45.100 0.020 0.000 0.651 577 G HN 2.073 nan 8.290 nan 0.000 0.523 578 G N -1.246 107.568 108.800 0.023 0.000 2.756 578 G HA2 0.483 4.368 3.960 -0.125 0.000 0.678 578 G HA3 0.483 4.368 3.960 -0.125 0.000 0.678 578 G C 0.058 174.975 174.900 0.030 0.000 1.349 578 G CA 0.776 45.894 45.100 0.029 0.000 0.847 578 G HN 2.251 nan 8.290 nan 0.000 0.548 579 A N -0.197 122.644 122.820 0.036 0.000 2.337 579 A HA 0.962 5.207 4.320 -0.125 0.000 0.331 579 A C 0.287 177.895 177.584 0.039 0.000 1.137 579 A CA 0.464 52.518 52.037 0.028 0.000 0.807 579 A CB 1.744 20.754 19.000 0.018 0.000 1.250 579 A HN 1.888 nan 8.150 nan 0.000 0.468 580 S N 0.272 115.992 115.700 0.033 0.000 2.513 580 S HA 0.797 5.192 4.470 -0.125 0.000 0.299 580 S C -0.237 174.380 174.600 0.029 0.000 1.087 580 S CA -0.318 57.905 58.200 0.039 0.000 1.012 580 S CB 1.557 64.783 63.200 0.044 0.000 1.044 580 S HN 1.383 nan 8.310 nan 0.000 0.485 581 S N 2.331 118.048 115.700 0.027 0.000 2.588 581 S HA 0.822 5.217 4.470 -0.125 0.000 0.275 581 S C -1.507 173.102 174.600 0.014 0.000 1.130 581 S CA -1.080 57.129 58.200 0.014 0.000 0.855 581 S CB 1.579 64.781 63.200 0.003 0.000 1.116 581 S HN 0.508 nan 8.310 nan 0.000 0.472 582 R N 0.792 121.295 120.500 0.006 0.000 2.651 582 R HA 0.537 4.802 4.340 -0.125 0.000 0.278 582 R C -1.622 174.674 176.300 -0.006 0.000 1.010 582 R CA -0.726 55.375 56.100 0.003 0.000 0.896 582 R CB 1.914 32.217 30.300 0.004 0.000 1.211 582 R HN 0.625 nan 8.270 nan 0.000 0.456 583 V N 5.009 124.919 119.914 -0.006 0.000 2.385 583 V HA 0.199 4.244 4.120 -0.125 0.000 0.269 583 V C 1.540 177.626 176.094 -0.014 0.000 1.043 583 V CA -0.135 62.158 62.300 -0.011 0.000 0.906 583 V CB 1.104 32.922 31.823 -0.008 0.000 0.995 583 V HN 0.619 nan 8.190 nan 0.000 0.467 584 L N 3.980 125.189 121.223 -0.024 0.000 2.307 584 L HA 0.481 4.746 4.340 -0.125 0.000 0.211 584 L C 0.923 177.774 176.870 -0.031 0.000 1.099 584 L CA 0.855 55.676 54.840 -0.031 0.000 0.816 584 L CB -0.076 41.955 42.059 -0.047 0.000 0.952 584 L HN 0.734 nan 8.230 nan 0.000 0.455 585 A N -0.819 121.984 122.820 -0.028 0.000 2.608 585 A HA 0.594 4.839 4.320 -0.125 0.000 0.292 585 A C -1.936 175.640 177.584 -0.014 0.000 1.066 585 A CA -0.450 51.572 52.037 -0.024 0.000 0.676 585 A CB 1.720 20.697 19.000 -0.039 0.000 1.277 585 A HN -0.046 nan 8.150 nan 0.000 0.413 586 D N -0.140 120.258 120.400 -0.003 0.000 2.763 586 D HA 0.570 5.135 4.640 -0.125 0.000 0.235 586 D C -0.538 175.774 176.300 0.019 0.000 1.334 586 D CA 0.856 54.860 54.000 0.007 0.000 0.950 586 D CB 1.536 42.341 40.800 0.010 0.000 1.433 586 D HN 1.505 nan 8.370 nan 0.000 0.580 587 G N 2.489 111.304 108.800 0.024 0.000 1.984 587 G HA2 0.368 4.253 3.960 -0.125 0.000 0.313 587 G HA3 0.368 4.253 3.960 -0.125 0.000 0.313 587 G C -0.918 174.011 174.900 0.049 0.000 1.632 587 G CA -0.884 44.242 45.100 0.042 0.000 0.963 587 G HN 0.357 nan 8.290 nan 0.000 0.595 588 M N 2.419 122.061 119.600 0.069 0.000 2.228 588 M HA 0.757 5.162 4.480 -0.125 0.000 0.326 588 M C 0.763 177.127 176.300 0.108 0.000 1.122 588 M CA -0.248 55.099 55.300 0.078 0.000 1.161 588 M CB 0.929 33.577 32.600 0.080 0.000 1.437 588 M HN 0.873 nan 8.290 nan 0.000 0.465 589 T N 1.467 116.086 114.554 0.108 0.000 2.901 589 T HA 0.878 5.153 4.350 -0.125 0.000 0.293 589 T C -1.069 173.734 174.700 0.170 0.000 1.084 589 T CA -1.011 61.175 62.100 0.143 0.000 1.008 589 T CB 1.686 70.610 68.868 0.094 0.000 1.170 589 T HN 0.756 nan 8.240 nan 0.000 0.509 590 R N -0.094 120.551 120.500 0.242 0.000 2.522 590 R HA 0.659 4.924 4.340 -0.125 0.000 0.283 590 R C -0.537 175.969 176.300 0.344 0.000 1.074 590 R CA -0.464 55.784 56.100 0.247 0.000 0.925 590 R CB 1.606 32.038 30.300 0.220 0.000 1.205 590 R HN 1.148 nan 8.270 nan 0.000 0.436 591 G N 5.508 114.494 108.800 0.311 0.000 4.106 591 G HA2 0.344 4.229 3.960 -0.125 0.000 0.344 591 G HA3 0.344 4.229 3.960 -0.125 0.000 0.344 591 G C -2.492 172.639 174.900 0.385 0.000 1.477 591 G CA -1.213 44.133 45.100 0.410 0.000 1.068 591 G HN 0.466 nan 8.290 nan 0.000 0.488 592 P HA 0.185 nan 4.420 nan 0.000 0.272 592 P C -0.267 177.130 177.300 0.163 0.000 1.230 592 P CA -0.201 63.041 63.100 0.236 0.000 0.788 592 P CB 2.364 34.198 31.700 0.223 0.000 0.949 593 V N 3.222 123.161 119.914 0.041 0.000 2.448 593 V HA 0.427 4.472 4.120 -0.125 0.000 0.295 593 V C -0.141 175.851 176.094 -0.171 0.000 1.025 593 V CA -0.702 61.461 62.300 -0.229 0.000 0.859 593 V CB 1.347 32.977 31.823 -0.322 0.000 0.988 593 V HN 0.459 nan 8.190 nan 0.000 0.431 594 V N 5.089 124.875 119.914 -0.215 0.000 3.019 594 V HA 0.792 4.837 4.120 -0.125 0.000 0.317 594 V C -0.489 175.505 176.094 -0.168 0.000 1.094 594 V CA -0.991 61.236 62.300 -0.121 0.000 1.000 594 V CB 2.142 33.936 31.823 -0.049 0.000 1.060 594 V HN 0.910 nan 8.190 nan 0.000 0.443 595 R N 2.030 122.470 120.500 -0.100 0.000 2.686 595 R HA 0.701 4.966 4.340 -0.125 0.000 0.283 595 R C -1.687 174.573 176.300 -0.066 0.000 0.978 595 R CA -0.826 55.218 56.100 -0.093 0.000 0.897 595 R CB 2.127 32.387 30.300 -0.067 0.000 1.192 595 R HN 0.560 nan 8.270 nan 0.000 0.457 596 L N 2.300 123.479 121.223 -0.073 0.000 2.303 596 L HA 0.451 4.716 4.340 -0.125 0.000 0.266 596 L C -1.634 175.212 176.870 -0.040 0.000 1.011 596 L CA -2.447 52.356 54.840 -0.062 0.000 0.818 596 L CB 1.662 43.663 42.059 -0.095 0.000 1.326 596 L HN 0.321 nan 8.230 nan 0.000 0.435 597 P HA -0.029 nan 4.420 nan 0.000 0.217 597 P C -0.093 177.197 177.300 -0.017 0.000 1.150 597 P CA 1.261 64.352 63.100 -0.016 0.000 0.832 597 P CB 0.355 32.050 31.700 -0.007 0.000 0.787 598 R N -2.448 118.039 120.500 -0.022 0.000 2.837 598 R HA 0.555 4.820 4.340 -0.125 0.000 0.271 598 R C 0.859 177.140 176.300 -0.031 0.000 0.993 598 R CA -0.599 55.489 56.100 -0.020 0.000 0.931 598 R CB 0.478 30.771 30.300 -0.012 0.000 1.206 598 R HN -0.162 nan 8.270 nan 0.000 0.474 599 A N 0.371 123.176 122.820 -0.025 0.000 1.972 599 A HA -0.133 4.112 4.320 -0.125 0.000 0.219 599 A C 1.818 179.383 177.584 -0.031 0.000 1.169 599 A CA 1.628 53.648 52.037 -0.029 0.000 0.635 599 A CB -0.659 18.330 19.000 -0.018 0.000 0.810 599 A HN 0.725 nan 8.150 nan 0.000 0.446 600 C N -0.147 119.140 119.300 -0.021 0.000 2.422 600 C HA -0.085 4.300 4.460 -0.125 0.000 0.279 600 C C 2.264 177.240 174.990 -0.024 0.000 1.305 600 C CA 0.970 59.979 59.018 -0.014 0.000 1.757 600 C CB -1.030 26.708 27.740 -0.003 0.000 1.962 600 C HN 0.608 nan 8.230 nan 0.000 0.499 601 D N 1.153 121.532 120.400 -0.035 0.000 2.103 601 D HA -0.082 4.483 4.640 -0.125 0.000 0.199 601 D C 2.308 178.527 176.300 -0.135 0.000 0.978 601 D CA 1.821 55.786 54.000 -0.059 0.000 0.829 601 D CB -0.687 40.086 40.800 -0.045 0.000 0.981 601 D HN 0.604 nan 8.370 nan 0.000 0.464 602 S N 1.305 116.932 115.700 -0.122 0.000 2.399 602 S HA -0.101 4.294 4.470 -0.125 0.000 0.231 602 S C 2.204 176.723 174.600 -0.134 0.000 1.022 602 S CA 1.193 59.301 58.200 -0.152 0.000 0.983 602 S CB -0.352 62.778 63.200 -0.117 0.000 0.803 602 S HN 0.254 nan 8.310 nan 0.000 0.480 603 A N 1.742 124.511 122.820 -0.085 0.000 1.930 603 A HA -0.082 4.163 4.320 -0.125 0.000 0.217 603 A C 2.205 179.759 177.584 -0.051 0.000 1.175 603 A CA 1.514 53.517 52.037 -0.056 0.000 0.627 603 A CB -0.801 18.181 19.000 -0.029 0.000 0.815 603 A HN 0.678 nan 8.150 nan 0.000 0.443 604 E N -0.137 120.028 120.200 -0.058 0.000 2.077 604 E HA -0.138 4.137 4.350 -0.125 0.000 0.193 604 E C 1.882 178.432 176.600 -0.083 0.000 0.989 604 E CA 1.482 57.875 56.400 -0.012 0.000 0.800 604 E CB -0.114 29.607 29.700 0.036 0.000 0.746 604 E HN 0.331 nan 8.360 nan 0.000 0.452 605 V N 1.588 121.284 119.914 -0.364 0.000 2.343 605 V HA -0.262 3.783 4.120 -0.125 0.000 0.247 605 V C 2.531 178.558 176.094 -0.112 0.000 1.051 605 V CA 2.108 64.077 62.300 -0.552 0.000 1.036 605 V CB -0.559 30.829 31.823 -0.725 0.000 0.654 605 V HN 0.280 nan 8.190 nan 0.000 0.451 606 K N 0.318 120.664 120.400 -0.090 0.000 2.032 606 K HA -0.205 4.040 4.320 -0.125 0.000 0.209 606 K C 2.213 178.826 176.600 0.022 0.000 1.048 606 K CA 1.703 57.969 56.287 -0.035 0.000 0.927 606 K CB -0.348 32.116 32.500 -0.060 0.000 0.712 606 K HN 0.422 nan 8.250 nan 0.000 0.441 607 A N 0.416 123.261 122.820 0.041 0.000 1.902 607 A HA -0.200 4.045 4.320 -0.125 0.000 0.217 607 A C 1.926 179.581 177.584 0.119 0.000 1.181 607 A CA 1.467 53.540 52.037 0.061 0.000 0.623 607 A CB -1.050 17.990 19.000 0.066 0.000 0.818 607 A HN 0.727 nan 8.150 nan 0.000 0.443 608 W N 0.531 121.839 121.300 0.013 0.000 2.355 608 W HA -0.130 4.455 4.660 -0.126 0.000 0.309 608 W C 1.669 178.208 176.519 0.034 0.000 1.206 608 W CA 1.814 59.200 57.345 0.068 0.000 1.284 608 W CB -0.234 29.359 29.460 0.221 0.000 1.145 608 W HN 0.239 nan 8.180 nan 0.000 0.502 609 L N 0.463 121.893 121.223 0.346 0.000 2.353 609 L HA -0.162 4.102 4.340 -0.125 0.000 0.220 609 L C 1.890 178.764 176.870 0.006 0.000 1.133 609 L CA 1.317 56.273 54.840 0.192 0.000 0.798 609 L CB -0.588 41.588 42.059 0.195 0.000 0.922 609 L HN 0.069 nan 8.230 nan 0.000 0.445 610 E N -0.850 119.330 120.200 -0.034 0.000 2.442 610 E HA -0.022 4.253 4.350 -0.125 0.000 0.195 610 E C 0.839 177.368 176.600 -0.118 0.000 1.030 610 E CA 0.223 56.573 56.400 -0.083 0.000 0.869 610 E CB 0.252 29.912 29.700 -0.067 0.000 0.857 610 E HN 0.452 nan 8.360 nan 0.000 0.505 611 T N -1.319 113.135 114.554 -0.167 0.000 2.904 611 T HA 0.084 4.359 4.350 -0.125 0.000 0.290 611 T C 1.493 176.091 174.700 -0.170 0.000 1.018 611 T CA -0.150 61.841 62.100 -0.181 0.000 1.075 611 T CB 1.718 70.436 68.868 -0.249 0.000 0.986 611 T HN -0.009 nan 8.240 nan 0.000 0.523 612 S N 1.236 116.867 115.700 -0.114 0.000 2.382 612 S HA -0.179 4.216 4.470 -0.125 0.000 0.228 612 S C 1.739 176.296 174.600 -0.073 0.000 1.027 612 S CA 0.941 59.111 58.200 -0.049 0.000 0.991 612 S CB -0.555 62.625 63.200 -0.034 0.000 0.823 612 S HN 0.876 nan 8.310 nan 0.000 0.469 613 E N 2.075 122.173 120.200 -0.169 0.000 2.072 613 E HA -0.024 4.251 4.350 -0.125 0.000 0.191 613 E C 2.259 178.608 176.600 -0.418 0.000 0.985 613 E CA 1.241 57.512 56.400 -0.214 0.000 0.801 613 E CB -1.369 28.224 29.700 -0.177 0.000 0.750 613 E HN 0.589 nan 8.360 nan 0.000 0.452 614 G N 0.932 109.260 108.800 -0.786 0.000 2.421 614 G HA2 -0.271 3.614 3.960 -0.125 0.000 0.216 614 G HA3 -0.271 3.614 3.960 -0.125 0.000 0.216 614 G C 1.412 175.929 174.900 -0.639 0.000 1.171 614 G CA 0.767 44.945 45.100 -1.537 0.000 0.775 614 G HN 0.280 nan 8.290 nan 0.000 0.543 615 F N 2.541 122.242 119.950 -0.414 0.000 2.102 615 F HA 0.059 4.511 4.527 -0.126 0.000 0.298 615 F C 2.789 178.530 175.800 -0.098 0.000 1.105 615 F CA 1.278 59.168 58.000 -0.183 0.000 1.239 615 F CB -0.467 38.443 39.000 -0.149 0.000 0.991 615 F HN 0.230 nan 8.300 nan 0.000 0.474 616 A N 0.014 122.708 122.820 -0.211 0.000 1.917 616 A HA -0.179 4.066 4.320 -0.125 0.000 0.219 616 A C 2.334 179.816 177.584 -0.169 0.000 1.182 616 A CA 2.251 54.161 52.037 -0.211 0.000 0.633 616 A CB -1.475 17.483 19.000 -0.070 0.000 0.819 616 A HN 0.301 nan 8.150 nan 0.000 0.448 617 V N 0.448 120.298 119.914 -0.108 0.000 2.343 617 V HA -0.246 3.799 4.120 -0.125 0.000 0.247 617 V C 2.432 178.569 176.094 0.070 0.000 1.051 617 V CA 1.800 64.120 62.300 0.034 0.000 1.036 617 V CB -0.649 31.247 31.823 0.121 0.000 0.654 617 V HN 0.522 nan 8.190 nan 0.000 0.451 618 I N 0.175 120.767 120.570 0.036 0.000 2.252 618 I HA -0.198 3.897 4.170 -0.125 0.000 0.245 618 I C 2.427 178.563 176.117 0.031 0.000 1.102 618 I CA 1.691 63.062 61.300 0.119 0.000 1.385 618 I CB -1.189 36.921 38.000 0.183 0.000 1.064 618 I HN 0.390 nan 8.210 nan 0.000 0.414 619 K N 1.194 121.436 120.400 -0.264 0.000 2.063 619 K HA -0.248 3.997 4.320 -0.125 0.000 0.208 619 K C 2.104 178.691 176.600 -0.022 0.000 1.048 619 K CA 1.792 57.916 56.287 -0.271 0.000 0.928 619 K CB -0.063 32.058 32.500 -0.631 0.000 0.713 619 K HN 0.297 nan 8.250 nan 0.000 0.442 620 E N -0.136 120.049 120.200 -0.026 0.000 2.051 620 E HA -0.205 4.069 4.350 -0.125 0.000 0.192 620 E C 1.809 178.454 176.600 0.075 0.000 0.991 620 E CA 1.158 57.576 56.400 0.030 0.000 0.799 620 E CB -0.177 29.540 29.700 0.028 0.000 0.748 620 E HN 0.442 nan 8.360 nan 0.000 0.449 621 A N 0.449 123.332 122.820 0.105 0.000 1.902 621 A HA -0.172 4.073 4.320 -0.125 0.000 0.217 621 A C 2.024 179.676 177.584 0.113 0.000 1.181 621 A CA 1.310 53.413 52.037 0.112 0.000 0.623 621 A CB -0.886 18.202 19.000 0.146 0.000 0.818 621 A HN 0.515 nan 8.150 nan 0.000 0.443 622 F N 1.075 121.035 119.950 0.016 0.000 2.113 622 F HA -0.163 4.288 4.527 -0.127 0.000 0.297 622 F C 1.593 177.396 175.800 0.005 0.000 1.103 622 F CA 2.049 60.052 58.000 0.005 0.000 1.248 622 F CB -0.049 38.981 39.000 0.050 0.000 0.999 622 F HN 0.226 nan 8.300 nan 0.000 0.475 623 D N -0.393 120.174 120.400 0.278 0.000 2.264 623 D HA -0.126 4.439 4.640 -0.125 0.000 0.208 623 D C 2.435 178.758 176.300 0.038 0.000 0.966 623 D CA 1.267 55.367 54.000 0.167 0.000 0.864 623 D CB -0.511 40.378 40.800 0.149 0.000 0.933 623 D HN 0.382 nan 8.370 nan 0.000 0.499 624 S N -0.182 115.526 115.700 0.014 0.000 2.474 624 S HA -0.132 4.263 4.470 -0.125 0.000 0.235 624 S C 1.931 176.503 174.600 -0.046 0.000 0.997 624 S CA 1.409 59.602 58.200 -0.013 0.000 0.949 624 S CB -0.699 62.500 63.200 -0.002 0.000 0.766 624 S HN 0.327 nan 8.310 nan 0.000 0.517 625 T N -1.825 112.676 114.554 -0.089 0.000 3.055 625 T HA 0.259 4.534 4.350 -0.125 0.000 0.265 625 T C 0.683 175.330 174.700 -0.088 0.000 1.111 625 T CA 0.555 62.587 62.100 -0.115 0.000 1.118 625 T CB -0.244 68.500 68.868 -0.206 0.000 0.909 625 T HN 0.420 nan 8.240 nan 0.000 0.501 626 S N -0.118 115.541 115.700 -0.068 0.000 2.578 626 S HA 0.349 4.744 4.470 -0.125 0.000 0.272 626 S C 0.527 175.087 174.600 -0.066 0.000 1.145 626 S CA -0.852 57.322 58.200 -0.043 0.000 0.835 626 S CB 1.236 64.438 63.200 0.004 0.000 1.104 626 S HN 0.423 nan 8.310 nan 0.000 0.458 627 R N 0.907 121.310 120.500 -0.162 0.000 2.189 627 R HA 0.103 4.368 4.340 -0.125 0.000 0.218 627 R C 0.904 176.961 176.300 -0.404 0.000 1.074 627 R CA 1.442 57.340 56.100 -0.336 0.000 0.991 627 R CB -0.484 29.494 30.300 -0.536 0.000 0.883 627 R HN 0.544 nan 8.270 nan 0.000 0.457 628 F N 1.511 121.479 119.950 0.030 0.000 2.746 628 F HA 0.349 4.804 4.527 -0.121 0.000 0.297 628 F C 1.152 177.003 175.800 0.085 0.000 1.113 628 F CA -0.391 57.638 58.000 0.048 0.000 1.367 628 F CB 0.319 39.341 39.000 0.038 0.000 1.111 628 F HN -0.011 nan 8.300 nan 0.000 0.590 629 A N 1.974 124.925 122.820 0.219 0.000 2.489 629 A HA 0.286 4.531 4.320 -0.125 0.000 0.289 629 A C 0.246 178.008 177.584 0.297 0.000 1.216 629 A CA -0.031 52.168 52.037 0.270 0.000 0.883 629 A CB -0.269 18.798 19.000 0.113 0.000 1.110 629 A HN 0.147 nan 8.150 nan 0.000 0.523 630 R N 3.217 123.898 120.500 0.301 0.000 2.443 630 R HA 0.175 4.440 4.340 -0.125 0.000 0.287 630 R C -1.139 175.250 176.300 0.150 0.000 1.425 630 R CA -0.839 55.383 56.100 0.202 0.000 1.300 630 R CB 0.898 31.289 30.300 0.152 0.000 1.129 630 R HN 0.655 nan 8.270 nan 0.000 0.577 631 L N 3.392 124.657 121.223 0.070 0.000 2.654 631 L HA -0.058 4.206 4.340 -0.125 0.000 0.271 631 L C 1.282 178.196 176.870 0.073 0.000 1.169 631 L CA 1.005 55.752 54.840 -0.154 0.000 0.947 631 L CB 0.461 42.298 42.059 -0.370 0.000 1.232 631 L HN 0.495 nan 8.230 nan 0.000 0.486 632 Q N 4.224 124.069 119.800 0.075 0.000 1.984 632 Q HA 0.008 4.273 4.340 -0.125 0.000 0.196 632 Q C -0.026 176.047 176.000 0.122 0.000 0.975 632 Q CA 1.647 57.513 55.803 0.106 0.000 0.827 632 Q CB 0.161 28.929 28.738 0.050 0.000 0.894 632 Q HN 0.748 nan 8.270 nan 0.000 0.438 633 K N -1.194 119.240 120.400 0.057 0.000 2.499 633 K HA 0.611 4.856 4.320 -0.125 0.000 0.277 633 K C -1.633 174.958 176.600 -0.015 0.000 1.025 633 K CA -0.888 55.365 56.287 -0.058 0.000 0.900 633 K CB 1.265 33.707 32.500 -0.096 0.000 1.494 633 K HN -0.116 nan 8.250 nan 0.000 0.442 634 L N 1.284 122.450 121.223 -0.094 0.000 2.409 634 L HA 0.370 4.635 4.340 -0.125 0.000 0.272 634 L C -1.670 175.179 176.870 -0.035 0.000 0.980 634 L CA -0.293 54.495 54.840 -0.087 0.000 0.826 634 L CB 1.586 43.599 42.059 -0.078 0.000 1.268 634 L HN 0.856 nan 8.230 nan 0.000 0.407 635 H N 1.492 120.522 119.070 -0.066 0.000 2.539 635 H HA 0.717 5.200 4.556 -0.123 0.000 0.332 635 H C -0.683 174.706 175.328 0.102 0.000 1.031 635 H CA -0.242 55.813 56.048 0.013 0.000 1.206 635 H CB 1.229 31.005 29.762 0.024 0.000 1.446 635 H HN 0.655 nan 8.280 nan 0.000 0.496 636 T N 1.613 115.980 114.554 -0.311 0.000 2.885 636 T HA 0.594 4.869 4.350 -0.125 0.000 0.285 636 T C -0.540 174.024 174.700 -0.227 0.000 1.019 636 T CA -1.006 60.997 62.100 -0.162 0.000 1.010 636 T CB 1.655 70.443 68.868 -0.133 0.000 1.022 636 T HN 0.468 nan 8.240 nan 0.000 0.466 637 S N 1.776 117.385 115.700 -0.152 0.000 2.547 637 S HA 0.669 5.064 4.470 -0.125 0.000 0.281 637 S C -1.027 173.540 174.600 -0.054 0.000 1.118 637 S CA -0.917 57.208 58.200 -0.126 0.000 0.947 637 S CB 0.705 63.800 63.200 -0.176 0.000 1.053 637 S HN 0.753 nan 8.310 nan 0.000 0.482 638 I N 3.232 123.788 120.570 -0.024 0.000 2.412 638 I HA 0.636 4.731 4.170 -0.125 0.000 0.296 638 I C -0.043 176.101 176.117 0.045 0.000 0.987 638 I CA -0.711 60.592 61.300 0.005 0.000 1.180 638 I CB 1.816 39.800 38.000 -0.027 0.000 1.340 638 I HN 0.792 nan 8.210 nan 0.000 0.455 639 A N 5.093 127.964 122.820 0.085 0.000 2.815 639 A HA 0.664 4.909 4.320 -0.125 0.000 0.318 639 A C 0.356 177.970 177.584 0.049 0.000 1.186 639 A CA 0.137 52.227 52.037 0.089 0.000 0.754 639 A CB 0.422 19.530 19.000 0.180 0.000 1.151 639 A HN 1.072 nan 8.150 nan 0.000 0.452 640 G N 2.870 111.681 108.800 0.019 0.000 2.591 640 G HA2 -0.384 3.501 3.960 -0.125 0.000 0.298 640 G HA3 -0.384 3.501 3.960 -0.125 0.000 0.298 640 G C 1.105 175.995 174.900 -0.017 0.000 1.195 640 G CA 0.869 45.971 45.100 0.003 0.000 0.989 640 G HN 1.613 nan 8.290 nan 0.000 0.551 641 R N 1.308 121.794 120.500 -0.024 0.000 2.313 641 R HA 0.168 4.433 4.340 -0.125 0.000 0.199 641 R C 0.214 176.468 176.300 -0.078 0.000 0.958 641 R CA 0.603 56.676 56.100 -0.046 0.000 1.047 641 R CB -0.249 30.029 30.300 -0.037 0.000 0.955 641 R HN 0.370 nan 8.270 nan 0.000 0.481 642 N N 1.291 119.942 118.700 -0.082 0.000 2.524 642 N HA 0.246 4.911 4.740 -0.125 0.000 0.283 642 N C -1.352 174.024 175.510 -0.224 0.000 1.142 642 N CA -0.511 52.427 53.050 -0.186 0.000 0.984 642 N CB 1.584 39.959 38.487 -0.186 0.000 1.155 642 N HN 0.091 nan 8.380 nan 0.000 0.467 643 L N 2.486 123.493 121.223 -0.360 0.000 2.404 643 L HA 0.433 4.698 4.340 -0.125 0.000 0.272 643 L C -1.823 174.795 176.870 -0.419 0.000 0.980 643 L CA -0.628 54.047 54.840 -0.276 0.000 0.836 643 L CB 0.678 42.627 42.059 -0.183 0.000 1.238 643 L HN 0.428 nan 8.230 nan 0.000 0.408 644 Y N 5.664 125.831 120.300 -0.221 0.000 2.328 644 Y HA 0.632 5.107 4.550 -0.125 0.000 0.337 644 Y C -0.055 175.744 175.900 -0.168 0.000 1.008 644 Y CA -0.416 57.520 58.100 -0.273 0.000 1.129 644 Y CB 1.361 39.394 38.460 -0.713 0.000 1.185 644 Y HN 0.396 nan 8.280 nan 0.000 0.476 645 I N 4.185 124.837 120.570 0.138 0.000 2.410 645 I HA 0.388 4.483 4.170 -0.125 0.000 0.286 645 I C -0.308 175.943 176.117 0.223 0.000 1.009 645 I CA -0.783 60.571 61.300 0.090 0.000 1.111 645 I CB 1.622 39.608 38.000 -0.023 0.000 1.262 645 I HN 0.467 nan 8.210 nan 0.000 0.443 646 R N 6.321 126.961 120.500 0.235 0.000 2.230 646 R HA 0.434 4.699 4.340 -0.125 0.000 0.337 646 R C -1.316 175.015 176.300 0.052 0.000 1.063 646 R CA -0.509 55.740 56.100 0.248 0.000 0.935 646 R CB 0.456 30.891 30.300 0.224 0.000 1.121 646 R HN 0.343 nan 8.270 nan 0.000 0.486 647 F N 2.484 122.520 119.950 0.144 0.000 2.410 647 F HA 0.213 4.664 4.527 -0.127 0.000 0.348 647 F C 0.620 176.438 175.800 0.031 0.000 1.106 647 F CA 0.086 58.117 58.000 0.052 0.000 1.163 647 F CB 1.380 40.434 39.000 0.090 0.000 1.129 647 F HN 0.389 nan 8.300 nan 0.000 0.516 648 Q N 2.627 122.491 119.800 0.106 0.000 2.337 648 Q HA 0.616 4.881 4.340 -0.125 0.000 0.270 648 Q C -1.192 174.837 176.000 0.049 0.000 1.043 648 Q CA -0.512 55.340 55.803 0.082 0.000 0.794 648 Q CB 1.965 30.728 28.738 0.042 0.000 1.281 648 Q HN 0.716 nan 8.270 nan 0.000 0.446 649 S N 2.957 118.722 115.700 0.107 0.000 2.547 649 S HA 0.555 4.950 4.470 -0.125 0.000 0.270 649 S C -1.232 173.455 174.600 0.145 0.000 1.150 649 S CA -0.794 57.486 58.200 0.133 0.000 0.850 649 S CB 1.336 64.680 63.200 0.240 0.000 1.118 649 S HN 0.739 nan 8.310 nan 0.000 0.461 650 R N 0.956 121.539 120.500 0.137 0.000 2.649 650 R HA 0.516 4.781 4.340 -0.125 0.000 0.270 650 R C 0.117 176.503 176.300 0.143 0.000 1.105 650 R CA 0.285 56.454 56.100 0.114 0.000 1.193 650 R CB 0.741 31.105 30.300 0.107 0.000 1.120 650 R HN 0.811 nan 8.270 nan 0.000 0.561 651 S N -0.986 114.762 115.700 0.080 0.000 2.801 651 S HA 0.254 4.649 4.470 -0.125 0.000 0.236 651 S C 0.580 175.066 174.600 -0.190 0.000 0.852 651 S CA -0.267 57.961 58.200 0.047 0.000 1.089 651 S CB 0.577 63.798 63.200 0.036 0.000 1.376 651 S HN 1.103 nan 8.310 nan 0.000 0.470 652 G N 2.951 111.604 108.800 -0.246 0.000 2.611 652 G HA2 -0.323 3.562 3.960 -0.125 0.000 0.301 652 G HA3 -0.323 3.562 3.960 -0.125 0.000 0.301 652 G C 0.097 174.791 174.900 -0.343 0.000 1.233 652 G CA 0.783 45.527 45.100 -0.594 0.000 0.993 652 G HN 0.497 nan 8.290 nan 0.000 0.553 653 D N 1.958 122.127 120.400 -0.384 0.000 2.349 653 D HA 0.416 4.981 4.640 -0.125 0.000 0.214 653 D C 1.239 177.432 176.300 -0.178 0.000 1.063 653 D CA 0.805 54.676 54.000 -0.214 0.000 0.847 653 D CB 0.237 40.934 40.800 -0.171 0.000 0.933 653 D HN 0.734 nan 8.370 nan 0.000 0.513 654 A N 1.088 123.786 122.820 -0.202 0.000 2.316 654 A HA 0.217 4.462 4.320 -0.125 0.000 0.284 654 A C 1.302 178.834 177.584 -0.087 0.000 1.115 654 A CA -0.429 51.531 52.037 -0.130 0.000 0.812 654 A CB 1.162 20.091 19.000 -0.118 0.000 1.064 654 A HN -0.004 nan 8.150 nan 0.000 0.489 655 M N 1.887 121.447 119.600 -0.068 0.000 2.202 655 M HA -0.085 4.320 4.480 -0.125 0.000 0.262 655 M C 1.366 177.658 176.300 -0.013 0.000 1.063 655 M CA 2.540 57.813 55.300 -0.044 0.000 1.097 655 M CB -0.863 31.709 32.600 -0.047 0.000 1.382 655 M HN 1.731 nan 8.290 nan 0.000 0.413 656 G N -0.207 108.587 108.800 -0.011 0.000 2.141 656 G HA2 -0.314 3.571 3.960 -0.125 0.000 0.242 656 G HA3 -0.314 3.571 3.960 -0.125 0.000 0.242 656 G C 0.598 175.521 174.900 0.039 0.000 0.982 656 G CA 0.791 45.903 45.100 0.019 0.000 0.662 656 G HN 0.457 nan 8.290 nan 0.000 0.527 657 M N 0.913 120.530 119.600 0.029 0.000 2.065 657 M HA 0.011 4.416 4.480 -0.125 0.000 0.259 657 M C 2.361 178.678 176.300 0.029 0.000 1.071 657 M CA 2.589 57.912 55.300 0.038 0.000 1.109 657 M CB -0.539 32.080 32.600 0.031 0.000 1.313 657 M HN 0.321 nan 8.290 nan 0.000 0.408 658 N N -0.420 118.288 118.700 0.013 0.000 2.069 658 N HA -0.204 4.461 4.740 -0.125 0.000 0.191 658 N C 1.801 177.303 175.510 -0.013 0.000 1.031 658 N CA 1.822 54.871 53.050 -0.000 0.000 0.852 658 N CB -0.559 37.926 38.487 -0.003 0.000 1.018 658 N HN 0.492 nan 8.380 nan 0.000 0.423 659 M N 0.398 119.998 119.600 -0.001 0.000 2.159 659 M HA -0.102 4.303 4.480 -0.125 0.000 0.263 659 M C 1.361 177.630 176.300 -0.051 0.000 1.063 659 M CA 1.282 56.574 55.300 -0.014 0.000 1.110 659 M CB 0.102 32.725 32.600 0.037 0.000 1.374 659 M HN -0.038 nan 8.290 nan 0.000 0.411 660 I N -0.073 120.513 120.570 0.026 0.000 2.315 660 I HA -0.175 3.920 4.170 -0.125 0.000 0.248 660 I C 2.377 178.484 176.117 -0.017 0.000 1.117 660 I CA 1.035 62.389 61.300 0.090 0.000 1.404 660 I CB -1.621 36.500 38.000 0.203 0.000 1.071 660 I HN 0.290 nan 8.210 nan 0.000 0.419 661 S N 0.843 116.529 115.700 -0.024 0.000 2.356 661 S HA -0.162 4.233 4.470 -0.125 0.000 0.223 661 S C 1.985 176.510 174.600 -0.125 0.000 1.032 661 S CA 1.210 59.381 58.200 -0.048 0.000 1.005 661 S CB -0.116 63.073 63.200 -0.019 0.000 0.867 661 S HN 0.413 nan 8.310 nan 0.000 0.449 662 K N 0.562 120.875 120.400 -0.145 0.000 2.032 662 K HA -0.081 4.164 4.320 -0.125 0.000 0.209 662 K C 2.384 178.797 176.600 -0.312 0.000 1.048 662 K CA 1.222 57.401 56.287 -0.180 0.000 0.927 662 K CB -0.603 31.808 32.500 -0.149 0.000 0.712 662 K HN 0.432 nan 8.250 nan 0.000 0.441 663 G N 0.479 108.955 108.800 -0.540 0.000 2.418 663 G HA2 -0.242 3.643 3.960 -0.125 0.000 0.217 663 G HA3 -0.242 3.643 3.960 -0.125 0.000 0.217 663 G C 1.481 175.934 174.900 -0.746 0.000 1.158 663 G CA 1.325 45.759 45.100 -1.110 0.000 0.771 663 G HN 0.234 nan 8.290 nan 0.000 0.545 664 T N 0.766 115.047 114.554 -0.454 0.000 2.746 664 T HA -0.065 4.210 4.350 -0.125 0.000 0.267 664 T C 2.188 176.709 174.700 -0.299 0.000 1.039 664 T CA 1.551 63.366 62.100 -0.475 0.000 1.142 664 T CB -0.168 68.489 68.868 -0.351 0.000 0.866 664 T HN 0.456 nan 8.240 nan 0.000 0.444 665 E N 0.532 120.616 120.200 -0.194 0.000 2.077 665 E HA -0.117 4.158 4.350 -0.125 0.000 0.193 665 E C 2.384 178.932 176.600 -0.086 0.000 0.989 665 E CA 0.725 57.058 56.400 -0.111 0.000 0.800 665 E CB -0.001 29.646 29.700 -0.089 0.000 0.746 665 E HN 0.097 nan 8.360 nan 0.000 0.452 666 K N 0.677 121.008 120.400 -0.115 0.000 2.057 666 K HA -0.061 4.184 4.320 -0.125 0.000 0.206 666 K C 1.986 178.594 176.600 0.013 0.000 1.050 666 K CA 1.194 57.445 56.287 -0.060 0.000 0.935 666 K CB -0.228 32.216 32.500 -0.094 0.000 0.715 666 K HN 0.101 nan 8.250 nan 0.000 0.439 667 A N 1.214 124.046 122.820 0.020 0.000 1.902 667 A HA -0.107 4.138 4.320 -0.125 0.000 0.217 667 A C 2.365 180.067 177.584 0.197 0.000 1.181 667 A CA 1.209 53.344 52.037 0.164 0.000 0.623 667 A CB -0.536 18.625 19.000 0.269 0.000 0.818 667 A HN 0.279 nan 8.150 nan 0.000 0.443 668 L N -0.603 120.692 121.223 0.119 0.000 2.093 668 L HA -0.145 4.120 4.340 -0.125 0.000 0.208 668 L C 2.929 179.893 176.870 0.158 0.000 1.085 668 L CA 1.417 56.356 54.840 0.165 0.000 0.755 668 L CB -0.494 41.630 42.059 0.107 0.000 0.904 668 L HN 0.537 nan 8.230 nan 0.000 0.435 669 S N 0.412 116.170 115.700 0.096 0.000 2.359 669 S HA -0.264 4.131 4.470 -0.125 0.000 0.224 669 S C 2.093 176.787 174.600 0.158 0.000 1.035 669 S CA 1.942 60.192 58.200 0.083 0.000 1.018 669 S CB -0.076 63.139 63.200 0.025 0.000 0.876 669 S HN 0.264 nan 8.310 nan 0.000 0.448 670 K N 0.880 121.381 120.400 0.169 0.000 2.057 670 K HA 0.012 4.257 4.320 -0.125 0.000 0.207 670 K C 2.013 178.794 176.600 0.302 0.000 1.049 670 K CA 1.483 57.904 56.287 0.224 0.000 0.931 670 K CB -0.953 31.691 32.500 0.240 0.000 0.714 670 K HN 0.398 nan 8.250 nan 0.000 0.440 671 L N 0.586 121.979 121.223 0.282 0.000 2.046 671 L HA -0.128 4.137 4.340 -0.125 0.000 0.208 671 L C 2.156 179.171 176.870 0.241 0.000 1.077 671 L CA 2.261 57.251 54.840 0.250 0.000 0.747 671 L CB -0.928 41.278 42.059 0.245 0.000 0.896 671 L HN 0.520 nan 8.230 nan 0.000 0.432 672 H N -0.452 118.698 119.070 0.134 0.000 2.422 672 H HA -0.161 4.319 4.556 -0.125 0.000 0.298 672 H C 2.027 177.378 175.328 0.037 0.000 1.098 672 H CA 2.083 58.184 56.048 0.089 0.000 1.315 672 H CB 0.127 29.924 29.762 0.057 0.000 1.382 672 H HN 0.550 nan 8.280 nan 0.000 0.523 673 E N -0.845 119.412 120.200 0.094 0.000 2.150 673 E HA -0.186 4.089 4.350 -0.125 0.000 0.193 673 E C 1.304 177.731 176.600 -0.288 0.000 0.985 673 E CA 1.067 57.418 56.400 -0.082 0.000 0.814 673 E CB -0.021 29.625 29.700 -0.090 0.000 0.752 673 E HN 0.657 nan 8.360 nan 0.000 0.466 674 Y N -1.150 118.961 120.300 -0.315 0.000 2.475 674 Y HA 0.048 4.523 4.550 -0.125 0.000 0.289 674 Y C 0.391 175.671 175.900 -1.033 0.000 1.121 674 Y CA 0.481 58.171 58.100 -0.682 0.000 1.257 674 Y CB 0.548 38.418 38.460 -0.984 0.000 1.026 674 Y HN -0.106 nan 8.280 nan 0.000 0.555 675 F N 0.618 120.441 119.950 -0.212 0.000 2.809 675 F HA 0.323 4.775 4.527 -0.125 0.000 0.369 675 F C -1.912 173.672 175.800 -0.360 0.000 1.225 675 F CA -2.329 55.526 58.000 -0.242 0.000 1.201 675 F CB 1.134 40.002 39.000 -0.221 0.000 1.527 675 F HN -0.189 nan 8.300 nan 0.000 0.565 676 P HA -0.182 nan 4.420 nan 0.000 0.221 676 P C 0.649 177.771 177.300 -0.297 0.000 1.145 676 P CA 1.479 64.279 63.100 -0.500 0.000 0.795 676 P CB 0.368 31.916 31.700 -0.253 0.000 0.775 677 E N -0.878 119.253 120.200 -0.116 0.000 2.502 677 E HA 0.044 4.319 4.350 -0.125 0.000 0.194 677 E C 1.108 177.706 176.600 -0.003 0.000 1.062 677 E CA -0.229 56.152 56.400 -0.032 0.000 0.867 677 E CB -0.218 29.480 29.700 -0.004 0.000 0.888 677 E HN 0.314 nan 8.360 nan 0.000 0.510 678 M N 2.157 121.749 119.600 -0.014 0.000 2.217 678 M HA -0.008 4.397 4.480 -0.125 0.000 0.352 678 M C -0.278 176.101 176.300 0.132 0.000 1.376 678 M CA 0.242 55.568 55.300 0.042 0.000 1.107 678 M CB 0.639 33.270 32.600 0.052 0.000 1.723 678 M HN -0.150 nan 8.290 nan 0.000 0.461 679 Q N 5.757 125.598 119.800 0.069 0.000 2.290 679 Q HA 0.409 4.674 4.340 -0.125 0.000 0.259 679 Q C -1.481 174.542 176.000 0.038 0.000 0.941 679 Q CA -0.550 55.292 55.803 0.064 0.000 0.912 679 Q CB 1.079 29.833 28.738 0.027 0.000 1.244 679 Q HN 0.845 nan 8.270 nan 0.000 0.441 680 I N 5.815 126.409 120.570 0.041 0.000 2.294 680 I HA -0.026 4.069 4.170 -0.125 0.000 0.295 680 I C 0.806 176.927 176.117 0.007 0.000 1.098 680 I CA -0.265 61.050 61.300 0.024 0.000 1.277 680 I CB 0.746 38.760 38.000 0.023 0.000 1.434 680 I HN 0.744 nan 8.210 nan 0.000 0.498 681 L N 6.853 128.072 121.223 -0.006 0.000 2.072 681 L HA 0.224 4.489 4.340 -0.125 0.000 0.205 681 L C 0.837 177.713 176.870 0.011 0.000 1.079 681 L CA 1.238 56.075 54.840 -0.005 0.000 0.752 681 L CB -0.054 41.991 42.059 -0.025 0.000 0.906 681 L HN 0.691 nan 8.230 nan 0.000 0.436 682 A N -2.502 120.331 122.820 0.021 0.000 2.532 682 A HA 0.390 4.634 4.320 -0.125 0.000 0.296 682 A C 0.325 177.945 177.584 0.059 0.000 1.058 682 A CA 0.118 52.179 52.037 0.040 0.000 0.729 682 A CB 0.404 19.436 19.000 0.054 0.000 1.285 682 A HN -0.102 nan 8.150 nan 0.000 0.396 683 V N 1.578 121.524 119.914 0.053 0.000 2.688 683 V HA 0.011 4.055 4.120 -0.125 0.000 0.256 683 V C 0.904 177.060 176.094 0.103 0.000 1.084 683 V CA 2.764 65.102 62.300 0.063 0.000 1.103 683 V CB 0.062 31.905 31.823 0.033 0.000 0.688 683 V HN 1.321 nan 8.190 nan 0.000 0.480 684 S N -0.752 115.012 115.700 0.107 0.000 2.707 684 S HA 0.640 5.035 4.470 -0.125 0.000 0.303 684 S C 0.410 175.106 174.600 0.160 0.000 1.132 684 S CA -0.023 58.263 58.200 0.142 0.000 1.046 684 S CB 1.295 64.566 63.200 0.118 0.000 1.004 684 S HN 0.479 nan 8.310 nan 0.000 0.483 685 G N 2.973 111.911 108.800 0.231 0.000 3.523 685 G HA2 0.217 4.102 3.960 -0.125 0.000 0.270 685 G HA3 0.217 4.102 3.960 -0.125 0.000 0.270 685 G C 0.406 175.488 174.900 0.302 0.000 1.134 685 G CA -0.545 44.732 45.100 0.296 0.000 0.825 685 G HN 0.813 nan 8.290 nan 0.000 0.534 686 N N -1.580 117.254 118.700 0.223 0.000 2.800 686 N HA -0.228 4.437 4.740 -0.125 0.000 0.250 686 N C 0.298 175.935 175.510 0.212 0.000 1.078 686 N CA 0.767 53.919 53.050 0.171 0.000 0.804 686 N CB -1.590 36.967 38.487 0.117 0.000 1.135 686 N HN 0.514 nan 8.380 nan 0.000 0.565 687 Y N -0.276 120.091 120.300 0.112 0.000 2.468 687 Y HA 0.256 4.733 4.550 -0.121 0.000 0.268 687 Y C 1.675 177.640 175.900 0.109 0.000 1.177 687 Y CA -0.133 58.020 58.100 0.088 0.000 1.265 687 Y CB -0.034 38.521 38.460 0.157 0.000 1.103 687 Y HN 0.350 nan 8.280 nan 0.000 0.522 688 C N -0.820 118.563 119.300 0.139 0.000 2.442 688 C HA -0.054 4.331 4.460 -0.125 0.000 0.279 688 C C 1.158 176.139 174.990 -0.015 0.000 1.237 688 C CA 1.050 60.116 59.018 0.080 0.000 1.722 688 C CB -1.169 26.637 27.740 0.112 0.000 2.056 688 C HN 0.329 nan 8.230 nan 0.000 0.469 689 T N 0.884 115.432 114.554 -0.009 0.000 2.794 689 T HA 0.379 4.654 4.350 -0.125 0.000 0.280 689 T C -1.023 173.703 174.700 0.044 0.000 0.987 689 T CA 0.086 62.205 62.100 0.032 0.000 0.993 689 T CB 1.356 70.235 68.868 0.019 0.000 0.939 689 T HN 0.315 nan 8.240 nan 0.000 0.449 690 D N 2.160 122.595 120.400 0.059 0.000 2.274 690 D HA 0.306 4.871 4.640 -0.125 0.000 0.239 690 D C 0.119 176.448 176.300 0.048 0.000 1.104 690 D CA -0.426 53.608 54.000 0.056 0.000 0.840 690 D CB 0.440 41.279 40.800 0.064 0.000 1.100 690 D HN 0.486 nan 8.370 nan 0.000 0.477 691 K N 0.844 121.269 120.400 0.043 0.000 3.209 691 K HA -0.241 4.004 4.320 -0.125 0.000 0.289 691 K C -0.634 175.980 176.600 0.024 0.000 1.191 691 K CA 0.797 57.105 56.287 0.034 0.000 0.851 691 K CB -0.922 31.599 32.500 0.036 0.000 1.242 691 K HN 0.335 nan 8.250 nan 0.000 0.480 692 K N 0.047 120.460 120.400 0.022 0.000 2.464 692 K HA 0.358 4.603 4.320 -0.125 0.000 0.253 692 K C -2.702 173.903 176.600 0.007 0.000 0.933 692 K CA -2.008 54.287 56.287 0.014 0.000 0.801 692 K CB 1.603 34.116 32.500 0.021 0.000 1.271 692 K HN -0.228 nan 8.250 nan 0.000 0.430 693 P HA 0.278 nan 4.420 nan 0.000 0.268 693 P C -1.361 175.935 177.300 -0.006 0.000 1.205 693 P CA -0.390 62.700 63.100 -0.016 0.000 0.771 693 P CB 1.102 32.778 31.700 -0.040 0.000 0.858 694 A N 1.876 124.698 122.820 0.004 0.000 2.540 694 A HA 0.553 4.798 4.320 -0.125 0.000 0.297 694 A C 0.813 178.420 177.584 0.038 0.000 1.056 694 A CA -0.100 51.944 52.037 0.012 0.000 0.700 694 A CB 1.014 20.018 19.000 0.007 0.000 1.280 694 A HN 0.391 nan 8.150 nan 0.000 0.398 695 A N 1.641 124.487 122.820 0.042 0.000 1.972 695 A HA -0.048 4.197 4.320 -0.125 0.000 0.219 695 A C 1.794 179.438 177.584 0.101 0.000 1.169 695 A CA 1.832 53.930 52.037 0.101 0.000 0.635 695 A CB -0.619 18.432 19.000 0.084 0.000 0.810 695 A HN 1.312 nan 8.150 nan 0.000 0.446 696 I N -0.064 120.509 120.570 0.006 0.000 2.208 696 I HA -0.291 3.804 4.170 -0.125 0.000 0.245 696 I C 1.867 177.947 176.117 -0.062 0.000 1.097 696 I CA 1.707 62.955 61.300 -0.087 0.000 1.363 696 I CB -0.166 37.690 38.000 -0.240 0.000 1.051 696 I HN 0.289 nan 8.210 nan 0.000 0.413 697 N N 0.384 119.084 118.700 0.000 0.000 2.188 697 N HA -0.248 4.417 4.740 -0.125 0.000 0.184 697 N C 1.469 177.037 175.510 0.096 0.000 1.018 697 N CA 1.471 54.538 53.050 0.028 0.000 0.858 697 N CB -0.642 37.880 38.487 0.057 0.000 0.989 697 N HN 0.632 nan 8.380 nan 0.000 0.426 698 W N 1.540 122.813 121.300 -0.045 0.000 2.379 698 W HA -0.043 4.529 4.660 -0.147 0.000 0.307 698 W C 1.505 178.000 176.519 -0.039 0.000 1.200 698 W CA 0.798 58.128 57.345 -0.025 0.000 1.297 698 W CB -0.150 29.310 29.460 0.000 0.000 1.140 698 W HN -0.021 nan 8.180 nan 0.000 0.507 699 I N 0.450 121.005 120.570 -0.026 0.000 2.480 699 I HA -0.194 3.901 4.170 -0.125 0.000 0.251 699 I C 1.872 177.877 176.117 -0.188 0.000 1.124 699 I CA 1.301 62.505 61.300 -0.160 0.000 1.444 699 I CB -0.363 37.611 38.000 -0.045 0.000 1.098 699 I HN -0.098 nan 8.210 nan 0.000 0.428 700 E N 0.577 120.679 120.200 -0.163 0.000 2.460 700 E HA 0.258 4.533 4.350 -0.125 0.000 0.200 700 E C 0.728 177.244 176.600 -0.140 0.000 1.011 700 E CA 0.313 56.606 56.400 -0.177 0.000 0.912 700 E CB 0.643 30.197 29.700 -0.243 0.000 0.953 700 E HN 0.428 nan 8.360 nan 0.000 0.494 701 G N 2.078 110.807 108.800 -0.118 0.000 2.758 701 G HA2 -0.253 3.632 3.960 -0.125 0.000 0.686 701 G HA3 -0.253 3.632 3.960 -0.125 0.000 0.686 701 G C -0.636 174.234 174.900 -0.049 0.000 1.389 701 G CA -0.255 44.795 45.100 -0.082 0.000 0.845 701 G HN 0.188 nan 8.290 nan 0.000 0.572 702 R N 0.496 120.985 120.500 -0.018 0.000 2.560 702 R HA 0.580 4.845 4.340 -0.125 0.000 0.267 702 R C 0.961 177.272 176.300 0.019 0.000 1.150 702 R CA 0.811 56.913 56.100 0.004 0.000 0.997 702 R CB 0.921 31.230 30.300 0.015 0.000 1.250 702 R HN 2.819 nan 8.270 nan 0.000 0.433 703 G N 3.417 112.231 108.800 0.024 0.000 2.543 703 G HA2 -0.328 3.557 3.960 -0.125 0.000 0.286 703 G HA3 -0.328 3.557 3.960 -0.125 0.000 0.286 703 G C -0.985 173.923 174.900 0.013 0.000 1.153 703 G CA 0.257 45.372 45.100 0.026 0.000 0.968 703 G HN 0.508 nan 8.290 nan 0.000 0.544 704 K N 0.921 121.329 120.400 0.013 0.000 2.235 704 K HA 0.622 4.867 4.320 -0.125 0.000 0.266 704 K C -0.541 176.057 176.600 -0.004 0.000 0.980 704 K CA -0.149 56.139 56.287 0.002 0.000 0.849 704 K CB 1.716 34.216 32.500 0.000 0.000 1.098 704 K HN 0.390 nan 8.250 nan 0.000 0.445 705 S N 1.947 117.635 115.700 -0.021 0.000 2.457 705 S HA 0.447 4.842 4.470 -0.125 0.000 0.289 705 S C -0.503 174.077 174.600 -0.033 0.000 1.163 705 S CA -0.805 57.372 58.200 -0.038 0.000 1.078 705 S CB 0.905 64.066 63.200 -0.065 0.000 0.987 705 S HN 0.260 nan 8.310 nan 0.000 0.482 706 V N 3.217 123.113 119.914 -0.029 0.000 2.925 706 V HA 0.670 4.715 4.120 -0.125 0.000 0.311 706 V C -0.587 175.493 176.094 -0.024 0.000 1.104 706 V CA -0.775 61.512 62.300 -0.023 0.000 0.954 706 V CB 2.120 33.934 31.823 -0.015 0.000 1.022 706 V HN 0.594 nan 8.190 nan 0.000 0.427 707 V N 3.042 122.945 119.914 -0.018 0.000 2.789 707 V HA 0.792 4.837 4.120 -0.125 0.000 0.311 707 V C -0.934 175.156 176.094 -0.006 0.000 1.073 707 V CA -0.179 62.113 62.300 -0.012 0.000 0.921 707 V CB 1.806 33.624 31.823 -0.009 0.000 1.009 707 V HN 1.134 nan 8.190 nan 0.000 0.426 708 C N 5.581 124.875 119.300 -0.010 0.000 2.889 708 C HA 0.957 5.342 4.460 -0.125 0.000 0.307 708 C C -0.879 174.090 174.990 -0.036 0.000 1.251 708 C CA -0.007 59.002 59.018 -0.015 0.000 1.593 708 C CB 1.595 29.322 27.740 -0.022 0.000 2.104 708 C HN 1.121 nan 8.230 nan 0.000 0.476 709 E N 2.578 122.755 120.200 -0.039 0.000 2.407 709 E HA 0.797 5.072 4.350 -0.125 0.000 0.279 709 E C -1.388 175.164 176.600 -0.081 0.000 1.012 709 E CA -0.762 55.575 56.400 -0.105 0.000 0.800 709 E CB 1.745 31.439 29.700 -0.011 0.000 1.276 709 E HN 1.161 nan 8.360 nan 0.000 0.452 710 A N 0.710 123.436 122.820 -0.157 0.000 2.601 710 A HA 0.597 4.842 4.320 -0.125 0.000 0.291 710 A C -1.718 175.825 177.584 -0.068 0.000 1.075 710 A CA -0.668 51.329 52.037 -0.066 0.000 0.671 710 A CB 1.860 20.829 19.000 -0.052 0.000 1.277 710 A HN 0.391 nan 8.150 nan 0.000 0.417 711 V N 2.243 122.171 119.914 0.023 0.000 2.487 711 V HA 0.457 4.502 4.120 -0.125 0.000 0.298 711 V C -0.887 175.228 176.094 0.034 0.000 1.028 711 V CA -0.481 61.858 62.300 0.064 0.000 0.860 711 V CB 1.528 33.424 31.823 0.121 0.000 0.991 711 V HN 0.653 nan 8.190 nan 0.000 0.427 712 I N 6.205 126.791 120.570 0.026 0.000 2.330 712 I HA 0.408 4.503 4.170 -0.125 0.000 0.289 712 I C -2.450 173.682 176.117 0.026 0.000 1.001 712 I CA -2.887 58.424 61.300 0.019 0.000 1.193 712 I CB 1.305 39.310 38.000 0.008 0.000 1.345 712 I HN 0.334 nan 8.210 nan 0.000 0.461 713 P HA 0.046 nan 4.420 nan 0.000 0.265 713 P C 0.793 178.105 177.300 0.020 0.000 1.193 713 P CA 0.151 63.265 63.100 0.023 0.000 0.765 713 P CB 0.871 32.582 31.700 0.019 0.000 0.823 714 A N 4.678 127.510 122.820 0.020 0.000 1.927 714 A HA -0.293 3.952 4.320 -0.125 0.000 0.220 714 A C 2.094 179.687 177.584 0.014 0.000 1.185 714 A CA 1.996 54.044 52.037 0.017 0.000 0.639 714 A CB -1.136 17.873 19.000 0.017 0.000 0.820 714 A HN 0.589 nan 8.150 nan 0.000 0.451 715 K N -0.479 119.928 120.400 0.013 0.000 2.063 715 K HA -0.119 4.126 4.320 -0.125 0.000 0.208 715 K C 1.800 178.407 176.600 0.011 0.000 1.048 715 K CA 1.757 58.051 56.287 0.011 0.000 0.928 715 K CB -0.280 32.226 32.500 0.010 0.000 0.713 715 K HN 0.275 nan 8.250 nan 0.000 0.442 716 V N 0.733 120.654 119.914 0.011 0.000 2.427 716 V HA -0.197 3.848 4.120 -0.125 0.000 0.248 716 V C 2.286 178.385 176.094 0.010 0.000 1.051 716 V CA 1.332 63.639 62.300 0.011 0.000 1.048 716 V CB -0.047 31.783 31.823 0.011 0.000 0.666 716 V HN 0.158 nan 8.190 nan 0.000 0.456 717 V N -0.094 119.826 119.914 0.011 0.000 2.407 717 V HA -0.250 3.795 4.120 -0.125 0.000 0.248 717 V C 2.563 178.663 176.094 0.009 0.000 1.055 717 V CA 2.237 64.543 62.300 0.010 0.000 1.049 717 V CB -0.725 31.105 31.823 0.012 0.000 0.662 717 V HN 0.436 nan 8.190 nan 0.000 0.455 718 R N 0.197 120.702 120.500 0.009 0.000 2.062 718 R HA -0.104 4.161 4.340 -0.125 0.000 0.229 718 R C 2.244 178.549 176.300 0.008 0.000 1.128 718 R CA 1.728 57.833 56.100 0.009 0.000 0.960 718 R CB -0.178 30.127 30.300 0.009 0.000 0.855 718 R HN 0.621 nan 8.270 nan 0.000 0.432 719 E N -1.223 118.982 120.200 0.008 0.000 2.140 719 E HA -0.042 4.233 4.350 -0.125 0.000 0.191 719 E C 1.767 178.372 176.600 0.007 0.000 0.973 719 E CA 1.012 57.416 56.400 0.008 0.000 0.829 719 E CB 0.367 30.071 29.700 0.008 0.000 0.781 719 E HN 0.101 nan 8.360 nan 0.000 0.466 720 V N 0.997 120.916 119.914 0.007 0.000 2.492 720 V HA -0.077 3.968 4.120 -0.125 0.000 0.241 720 V C 1.970 178.068 176.094 0.006 0.000 1.041 720 V CA 0.995 63.299 62.300 0.007 0.000 1.057 720 V CB -0.099 31.729 31.823 0.008 0.000 0.711 720 V HN 0.208 nan 8.190 nan 0.000 0.468 721 L N -0.289 120.937 121.223 0.005 0.000 2.558 721 L HA 0.168 4.433 4.340 -0.125 0.000 0.225 721 L C 0.766 177.637 176.870 0.002 0.000 1.128 721 L CA 0.081 54.923 54.840 0.003 0.000 0.868 721 L CB -0.173 41.887 42.059 0.002 0.000 1.006 721 L HN 0.241 nan 8.230 nan 0.000 0.454 722 K N 0.712 121.115 120.400 0.004 0.000 3.071 722 K HA -0.188 4.057 4.320 -0.125 0.000 0.265 722 K C 0.174 176.777 176.600 0.005 0.000 1.060 722 K CA 1.026 57.316 56.287 0.006 0.000 0.767 722 K CB -2.213 30.291 32.500 0.006 0.000 1.241 722 K HN 0.486 nan 8.250 nan 0.000 0.486 723 T N -1.871 112.686 114.554 0.005 0.000 2.630 723 T HA 0.553 4.828 4.350 -0.125 0.000 0.300 723 T C -1.140 173.564 174.700 0.008 0.000 1.261 723 T CA 0.284 62.387 62.100 0.006 0.000 1.060 723 T CB 1.608 70.477 68.868 0.002 0.000 1.670 723 T HN 0.254 nan 8.240 nan 0.000 0.473 724 T N -1.123 113.436 114.554 0.008 0.000 2.930 724 T HA 0.502 4.777 4.350 -0.125 0.000 0.290 724 T C 1.089 175.796 174.700 0.012 0.000 1.052 724 T CA -0.172 61.935 62.100 0.011 0.000 1.017 724 T CB 1.096 69.971 68.868 0.011 0.000 1.137 724 T HN 0.459 nan 8.240 nan 0.000 0.511 725 T N 0.429 114.993 114.554 0.016 0.000 2.746 725 T HA -0.105 4.170 4.350 -0.125 0.000 0.267 725 T C 1.681 176.393 174.700 0.021 0.000 1.039 725 T CA 1.877 63.989 62.100 0.021 0.000 1.142 725 T CB -0.427 68.457 68.868 0.026 0.000 0.866 725 T HN 0.857 nan 8.240 nan 0.000 0.444 726 E N 0.729 120.940 120.200 0.018 0.000 2.085 726 E HA -0.145 4.130 4.350 -0.125 0.000 0.194 726 E C 2.310 178.919 176.600 0.015 0.000 0.994 726 E CA 1.114 57.524 56.400 0.017 0.000 0.801 726 E CB -0.201 29.507 29.700 0.014 0.000 0.743 726 E HN 0.483 nan 8.360 nan 0.000 0.453 727 A N 0.831 123.658 122.820 0.012 0.000 1.898 727 A HA -0.145 4.100 4.320 -0.125 0.000 0.216 727 A C 2.200 179.789 177.584 0.009 0.000 1.181 727 A CA 1.360 53.403 52.037 0.009 0.000 0.620 727 A CB -0.359 18.646 19.000 0.007 0.000 0.819 727 A HN 0.272 nan 8.150 nan 0.000 0.442 728 M N -0.378 119.228 119.600 0.009 0.000 2.080 728 M HA -0.119 4.286 4.480 -0.125 0.000 0.260 728 M C 2.214 178.522 176.300 0.015 0.000 1.068 728 M CA 1.490 56.795 55.300 0.009 0.000 1.109 728 M CB -1.112 31.494 32.600 0.010 0.000 1.342 728 M HN 0.426 nan 8.290 nan 0.000 0.405 729 I N -0.248 120.335 120.570 0.021 0.000 2.208 729 I HA -0.276 3.819 4.170 -0.125 0.000 0.245 729 I C 2.353 178.484 176.117 0.024 0.000 1.097 729 I CA 1.270 62.586 61.300 0.027 0.000 1.363 729 I CB -0.407 37.613 38.000 0.032 0.000 1.051 729 I HN 0.248 nan 8.210 nan 0.000 0.413 730 E N 0.458 120.669 120.200 0.019 0.000 2.106 730 E HA -0.141 4.134 4.350 -0.125 0.000 0.192 730 E C 2.143 178.752 176.600 0.014 0.000 0.984 730 E CA 0.937 57.346 56.400 0.016 0.000 0.806 730 E CB -0.040 29.668 29.700 0.012 0.000 0.750 730 E HN 0.240 nan 8.360 nan 0.000 0.458 731 V N 0.613 120.533 119.914 0.010 0.000 2.379 731 V HA -0.188 3.857 4.120 -0.125 0.000 0.245 731 V C 2.085 178.186 176.094 0.012 0.000 1.044 731 V CA 1.769 64.072 62.300 0.006 0.000 1.036 731 V CB -0.607 31.214 31.823 -0.003 0.000 0.664 731 V HN 0.309 nan 8.190 nan 0.000 0.453 732 N N 0.326 119.038 118.700 0.019 0.000 2.069 732 N HA -0.151 4.514 4.740 -0.125 0.000 0.191 732 N C 1.662 177.196 175.510 0.041 0.000 1.031 732 N CA 1.757 54.825 53.050 0.030 0.000 0.852 732 N CB -0.207 38.300 38.487 0.033 0.000 1.018 732 N HN 0.454 nan 8.380 nan 0.000 0.423 733 I N 0.254 120.847 120.570 0.037 0.000 2.202 733 I HA -0.218 3.877 4.170 -0.125 0.000 0.242 733 I C 1.483 177.624 176.117 0.040 0.000 1.091 733 I CA 0.939 62.264 61.300 0.041 0.000 1.368 733 I CB -0.282 37.738 38.000 0.033 0.000 1.058 733 I HN 0.274 nan 8.210 nan 0.000 0.410 734 N N 0.459 119.176 118.700 0.028 0.000 2.446 734 N HA -0.116 4.548 4.740 -0.125 0.000 0.179 734 N C 1.634 177.155 175.510 0.018 0.000 1.054 734 N CA 0.694 53.758 53.050 0.022 0.000 0.905 734 N CB 0.277 38.773 38.487 0.014 0.000 0.973 734 N HN 0.466 nan 8.380 nan 0.000 0.448 735 K N 0.928 121.338 120.400 0.018 0.000 2.214 735 K HA 0.108 4.353 4.320 -0.125 0.000 0.210 735 K C 1.157 177.767 176.600 0.017 0.000 1.036 735 K CA 0.221 56.512 56.287 0.006 0.000 0.958 735 K CB 0.186 32.684 32.500 -0.004 0.000 0.973 735 K HN -0.147 nan 8.250 nan 0.000 0.466 736 N N 1.026 119.750 118.700 0.040 0.000 2.331 736 N HA -0.045 4.620 4.740 -0.125 0.000 0.180 736 N C 1.716 177.330 175.510 0.174 0.000 1.019 736 N CA 0.890 53.986 53.050 0.076 0.000 0.881 736 N CB 0.109 38.647 38.487 0.085 0.000 0.972 736 N HN 0.252 nan 8.380 nan 0.000 0.435 737 L N -0.856 120.460 121.223 0.155 0.000 2.416 737 L HA 0.133 4.398 4.340 -0.125 0.000 0.188 737 L C 2.046 179.021 176.870 0.175 0.000 1.145 737 L CA 0.267 55.236 54.840 0.215 0.000 0.826 737 L CB -0.622 41.504 42.059 0.112 0.000 1.064 737 L HN -0.162 nan 8.230 nan 0.000 0.490 738 V N 0.715 120.685 119.914 0.093 0.000 2.295 738 V HA -0.163 3.881 4.120 -0.125 0.000 0.246 738 V C 2.618 178.736 176.094 0.041 0.000 1.049 738 V CA 2.086 64.424 62.300 0.064 0.000 1.024 738 V CB -1.397 30.449 31.823 0.038 0.000 0.648 738 V HN 0.590 nan 8.190 nan 0.000 0.447 739 G N -0.382 108.431 108.800 0.022 0.000 2.459 739 G HA2 -0.256 3.629 3.960 -0.125 0.000 0.217 739 G HA3 -0.256 3.629 3.960 -0.125 0.000 0.217 739 G C 1.853 176.725 174.900 -0.046 0.000 1.183 739 G CA 1.238 46.330 45.100 -0.012 0.000 0.776 739 G HN 0.502 nan 8.290 nan 0.000 0.552 740 S N 0.973 116.629 115.700 -0.075 0.000 2.382 740 S HA -0.013 4.382 4.470 -0.125 0.000 0.228 740 S C 2.749 177.244 174.600 -0.175 0.000 1.027 740 S CA 1.197 59.260 58.200 -0.228 0.000 0.991 740 S CB -0.335 62.573 63.200 -0.487 0.000 0.823 740 S HN 0.611 nan 8.310 nan 0.000 0.469 741 A N 1.840 124.666 122.820 0.011 0.000 1.877 741 A HA -0.073 4.172 4.320 -0.125 0.000 0.216 741 A C 2.059 179.647 177.584 0.006 0.000 1.186 741 A CA 1.425 53.505 52.037 0.072 0.000 0.620 741 A CB -0.514 18.564 19.000 0.130 0.000 0.822 741 A HN 0.369 nan 8.150 nan 0.000 0.443 742 M N -0.226 119.371 119.600 -0.005 0.000 2.279 742 M HA -0.037 4.368 4.480 -0.125 0.000 0.264 742 M C 2.212 178.491 176.300 -0.034 0.000 1.062 742 M CA 1.242 56.533 55.300 -0.014 0.000 1.099 742 M CB -1.568 31.025 32.600 -0.012 0.000 1.394 742 M HN 0.473 nan 8.290 nan 0.000 0.426 743 A N -0.541 122.243 122.820 -0.060 0.000 2.208 743 A HA 0.395 4.640 4.320 -0.125 0.000 0.209 743 A C 1.556 179.089 177.584 -0.086 0.000 1.161 743 A CA 0.826 52.817 52.037 -0.077 0.000 0.782 743 A CB -0.823 18.114 19.000 -0.104 0.000 0.816 743 A HN 0.636 nan 8.150 nan 0.000 0.477 744 G N -0.146 108.606 108.800 -0.079 0.000 2.298 744 G HA2 -0.178 3.707 3.960 -0.125 0.000 0.287 744 G HA3 -0.178 3.707 3.960 -0.125 0.000 0.287 744 G C 0.194 175.020 174.900 -0.123 0.000 1.075 744 G CA 0.562 45.618 45.100 -0.073 0.000 0.960 744 G HN 1.024 nan 8.290 nan 0.000 0.502 745 S N -0.544 115.031 115.700 -0.208 0.000 2.562 745 S HA 0.714 5.109 4.470 -0.125 0.000 0.275 745 S C 0.528 174.933 174.600 -0.325 0.000 1.281 745 S CA -0.760 57.241 58.200 -0.331 0.000 1.045 745 S CB 0.362 63.221 63.200 -0.568 0.000 0.962 745 S HN 0.402 nan 8.310 nan 0.000 0.503 746 I N 4.169 124.545 120.570 -0.323 0.000 2.382 746 I HA 0.366 4.461 4.170 -0.125 0.000 0.285 746 I C 1.257 177.006 176.117 -0.614 0.000 1.007 746 I CA 0.107 61.200 61.300 -0.345 0.000 1.142 746 I CB 0.275 38.151 38.000 -0.206 0.000 1.289 746 I HN 1.025 nan 8.210 nan 0.000 0.453 747 G N 4.821 112.979 108.800 -1.069 0.000 2.179 747 G HA2 -0.218 3.667 3.960 -0.125 0.000 0.260 747 G HA3 -0.218 3.667 3.960 -0.125 0.000 0.260 747 G C 0.762 175.223 174.900 -0.731 0.000 0.977 747 G CA 0.098 44.273 45.100 -1.542 0.000 0.641 747 G HN 0.926 nan 8.290 nan 0.000 0.533 748 G N -0.271 108.140 108.800 -0.648 0.000 4.420 748 G HA2 0.495 4.380 3.960 -0.125 0.000 0.299 748 G HA3 0.495 4.380 3.960 -0.125 0.000 0.299 748 G C -0.029 174.571 174.900 -0.499 0.000 1.343 748 G CA -0.517 44.313 45.100 -0.449 0.000 1.272 748 G HN 0.371 nan 8.290 nan 0.000 0.610 749 Y N 1.583 121.786 120.300 -0.162 0.000 2.880 749 Y HA 0.257 4.728 4.550 -0.131 0.000 0.386 749 Y C 0.680 176.577 175.900 -0.005 0.000 1.172 749 Y CA -0.926 57.138 58.100 -0.060 0.000 1.770 749 Y CB -0.255 38.197 38.460 -0.012 0.000 1.809 749 Y HN 0.593 nan 8.280 nan 0.000 0.472 750 N N -1.898 116.826 118.700 0.041 0.000 2.934 750 N HA 0.661 5.326 4.740 -0.125 0.000 0.253 750 N C 0.084 175.612 175.510 0.030 0.000 1.466 750 N CA -0.539 52.545 53.050 0.055 0.000 0.858 750 N CB 0.838 39.359 38.487 0.057 0.000 1.459 750 N HN -0.048 nan 8.380 nan 0.000 0.532 751 A N -0.464 122.397 122.820 0.068 0.000 1.887 751 A HA 0.097 4.342 4.320 -0.125 0.000 0.212 751 A C 0.735 178.405 177.584 0.143 0.000 1.198 751 A CA 1.566 53.642 52.037 0.065 0.000 0.628 751 A CB -0.915 18.108 19.000 0.038 0.000 0.847 751 A HN 0.992 nan 8.150 nan 0.000 0.449 752 H N -4.983 114.066 119.070 -0.036 0.000 3.582 752 H HA 0.625 5.140 4.556 -0.069 0.000 0.218 752 H C 0.710 176.012 175.328 -0.043 0.000 1.325 752 H CA 0.090 56.113 56.048 -0.043 0.000 1.176 752 H CB -0.232 29.506 29.762 -0.040 0.000 2.765 752 H HN 0.220 nan 8.280 nan 0.000 0.553 753 A N 1.269 124.030 122.820 -0.099 0.000 1.948 753 A HA -0.122 4.123 4.320 -0.125 0.000 0.220 753 A C 2.575 180.048 177.584 -0.185 0.000 1.177 753 A CA 1.957 53.901 52.037 -0.157 0.000 0.636 753 A CB -0.895 18.063 19.000 -0.070 0.000 0.815 753 A HN 0.774 nan 8.150 nan 0.000 0.449 754 A N 0.087 122.824 122.820 -0.139 0.000 1.978 754 A HA -0.233 4.012 4.320 -0.125 0.000 0.220 754 A C 1.947 179.438 177.584 -0.155 0.000 1.170 754 A CA 1.891 53.842 52.037 -0.143 0.000 0.636 754 A CB -0.625 18.316 19.000 -0.099 0.000 0.810 754 A HN 0.563 nan 8.150 nan 0.000 0.448 755 N N -0.130 118.471 118.700 -0.165 0.000 2.084 755 N HA -0.119 4.546 4.740 -0.125 0.000 0.190 755 N C 1.494 176.905 175.510 -0.165 0.000 1.030 755 N CA 1.632 54.597 53.050 -0.141 0.000 0.849 755 N CB -0.420 38.002 38.487 -0.107 0.000 1.012 755 N HN 0.438 nan 8.380 nan 0.000 0.423 756 I N 0.370 120.795 120.570 -0.243 0.000 2.233 756 I HA -0.150 3.945 4.170 -0.125 0.000 0.243 756 I C 2.259 178.294 176.117 -0.136 0.000 1.093 756 I CA 0.548 61.744 61.300 -0.173 0.000 1.380 756 I CB -0.627 37.260 38.000 -0.188 0.000 1.067 756 I HN -0.127 nan 8.210 nan 0.000 0.413 757 V N 0.312 120.108 119.914 -0.197 0.000 2.332 757 V HA -0.339 3.706 4.120 -0.125 0.000 0.248 757 V C 2.472 178.365 176.094 -0.334 0.000 1.055 757 V CA 2.547 64.661 62.300 -0.311 0.000 1.038 757 V CB -1.171 30.384 31.823 -0.447 0.000 0.651 757 V HN 0.483 nan 8.190 nan 0.000 0.450 758 T N 0.236 114.651 114.554 -0.232 0.000 2.708 758 T HA -0.141 4.134 4.350 -0.125 0.000 0.266 758 T C 2.078 176.774 174.700 -0.007 0.000 1.037 758 T CA 1.598 63.624 62.100 -0.123 0.000 1.146 758 T CB -0.473 68.340 68.868 -0.091 0.000 0.865 758 T HN 0.577 nan 8.240 nan 0.000 0.435 759 A N 1.200 124.010 122.820 -0.017 0.000 1.883 759 A HA -0.043 4.201 4.320 -0.125 0.000 0.217 759 A C 2.305 179.919 177.584 0.051 0.000 1.186 759 A CA 1.350 53.396 52.037 0.014 0.000 0.624 759 A CB -0.819 18.179 19.000 -0.004 0.000 0.822 759 A HN 0.531 nan 8.150 nan 0.000 0.444 760 I N -2.099 118.512 120.570 0.068 0.000 2.315 760 I HA -0.226 3.869 4.170 -0.125 0.000 0.248 760 I C 2.361 178.589 176.117 0.185 0.000 1.117 760 I CA 1.100 62.465 61.300 0.108 0.000 1.404 760 I CB -0.425 37.642 38.000 0.112 0.000 1.071 760 I HN 0.321 nan 8.210 nan 0.000 0.419 761 Y N 0.966 121.251 120.300 -0.025 0.000 2.128 761 Y HA -0.212 4.300 4.550 -0.064 0.000 0.284 761 Y C 2.451 178.344 175.900 -0.012 0.000 1.154 761 Y CA 1.207 59.295 58.100 -0.019 0.000 1.149 761 Y CB -0.695 37.754 38.460 -0.018 0.000 0.976 761 Y HN 0.089 nan 8.280 nan 0.000 0.505 762 I N -0.797 119.865 120.570 0.153 0.000 2.252 762 I HA -0.300 3.795 4.170 -0.125 0.000 0.245 762 I C 2.511 178.658 176.117 0.049 0.000 1.102 762 I CA 1.210 62.558 61.300 0.081 0.000 1.385 762 I CB -0.574 37.464 38.000 0.063 0.000 1.064 762 I HN 0.130 nan 8.210 nan 0.000 0.414 763 A N -0.498 122.350 122.820 0.047 0.000 1.969 763 A HA -0.177 4.068 4.320 -0.125 0.000 0.218 763 A C 2.028 179.619 177.584 0.011 0.000 1.169 763 A CA 1.344 53.398 52.037 0.028 0.000 0.635 763 A CB -0.829 18.188 19.000 0.029 0.000 0.810 763 A HN 0.573 nan 8.150 nan 0.000 0.445 764 C N -0.691 118.609 119.300 0.000 0.000 2.614 764 C HA 0.504 4.889 4.460 -0.125 0.000 0.299 764 C C 1.757 176.711 174.990 -0.059 0.000 1.293 764 C CA -0.210 58.788 59.018 -0.034 0.000 1.713 764 C CB -1.218 26.489 27.740 -0.055 0.000 1.890 764 C HN 1.020 nan 8.230 nan 0.000 0.602 765 G N 1.356 110.133 108.800 -0.037 0.000 2.179 765 G HA2 -0.198 3.687 3.960 -0.125 0.000 0.257 765 G HA3 -0.198 3.687 3.960 -0.125 0.000 0.257 765 G C 0.062 174.913 174.900 -0.081 0.000 1.010 765 G CA 0.147 45.222 45.100 -0.042 0.000 0.736 765 G HN 0.535 nan 8.290 nan 0.000 0.513 766 Q N 0.006 119.725 119.800 -0.135 0.000 2.316 766 Q HA 0.357 4.621 4.340 -0.125 0.000 0.215 766 Q C 0.008 175.962 176.000 -0.078 0.000 1.020 766 Q CA -0.539 55.121 55.803 -0.238 0.000 0.970 766 Q CB 0.539 28.856 28.738 -0.703 0.000 1.187 766 Q HN 0.338 nan 8.270 nan 0.000 0.546 767 D N -0.032 120.340 120.400 -0.047 0.000 2.365 767 D HA 0.230 4.795 4.640 -0.125 0.000 0.237 767 D C 0.346 176.751 176.300 0.175 0.000 1.190 767 D CA -0.077 53.954 54.000 0.053 0.000 0.867 767 D CB 0.934 41.758 40.800 0.041 0.000 1.050 767 D HN 0.513 nan 8.370 nan 0.000 0.491 768 A N 3.950 126.864 122.820 0.156 0.000 2.019 768 A HA -0.055 4.190 4.320 -0.125 0.000 0.219 768 A C 2.061 179.707 177.584 0.103 0.000 1.164 768 A CA 1.548 53.688 52.037 0.172 0.000 0.644 768 A CB -0.305 18.757 19.000 0.103 0.000 0.805 768 A HN 0.631 nan 8.150 nan 0.000 0.449 769 A N -0.758 122.110 122.820 0.080 0.000 2.070 769 A HA -0.161 4.084 4.320 -0.125 0.000 0.220 769 A C 1.901 179.519 177.584 0.056 0.000 1.159 769 A CA 1.337 53.405 52.037 0.050 0.000 0.656 769 A CB -0.432 18.593 19.000 0.042 0.000 0.800 769 A HN 0.653 nan 8.150 nan 0.000 0.453 770 Q N -0.646 119.217 119.800 0.105 0.000 2.482 770 Q HA -0.087 4.178 4.340 -0.125 0.000 0.209 770 Q C 1.420 177.451 176.000 0.052 0.000 0.961 770 Q CA 0.493 56.365 55.803 0.116 0.000 0.945 770 Q CB -0.219 28.632 28.738 0.188 0.000 1.012 770 Q HN 0.748 nan 8.270 nan 0.000 0.515 771 N N -0.122 118.558 118.700 -0.032 0.000 2.364 771 N HA -0.134 4.531 4.740 -0.125 0.000 0.183 771 N C 1.328 176.780 175.510 -0.097 0.000 1.022 771 N CA 0.715 53.664 53.050 -0.169 0.000 0.883 771 N CB 0.114 38.503 38.487 -0.164 0.000 0.965 771 N HN 0.003 nan 8.380 nan 0.000 0.438 772 V N -0.313 119.576 119.914 -0.041 0.000 2.233 772 V HA -0.173 3.872 4.120 -0.125 0.000 0.247 772 V C 2.266 178.346 176.094 -0.022 0.000 1.050 772 V CA 2.210 64.491 62.300 -0.030 0.000 1.010 772 V CB -1.183 30.634 31.823 -0.011 0.000 0.637 772 V HN 0.550 nan 8.190 nan 0.000 0.444 773 G N -1.682 107.120 108.800 0.004 0.000 2.492 773 G HA2 -0.107 3.778 3.960 -0.125 0.000 0.214 773 G HA3 -0.107 3.778 3.960 -0.125 0.000 0.214 773 G C 1.746 176.666 174.900 0.033 0.000 1.147 773 G CA 0.756 45.873 45.100 0.027 0.000 0.809 773 G HN 0.475 nan 8.290 nan 0.000 0.533 774 S N 1.096 116.804 115.700 0.012 0.000 2.419 774 S HA -0.090 4.305 4.470 -0.125 0.000 0.235 774 S C 2.488 177.061 174.600 -0.047 0.000 1.019 774 S CA 1.218 59.419 58.200 0.001 0.000 0.982 774 S CB -0.119 63.069 63.200 -0.021 0.000 0.789 774 S HN 0.305 nan 8.310 nan 0.000 0.490 775 S N 1.615 117.268 115.700 -0.078 0.000 2.522 775 S HA 0.095 4.490 4.470 -0.125 0.000 0.227 775 S C 0.491 175.088 174.600 -0.005 0.000 0.986 775 S CA -0.077 58.076 58.200 -0.078 0.000 0.929 775 S CB -0.259 62.880 63.200 -0.102 0.000 0.769 775 S HN 0.456 nan 8.310 nan 0.000 0.529 776 N N 1.593 120.327 118.700 0.056 0.000 2.357 776 N HA 0.069 4.734 4.740 -0.125 0.000 0.257 776 N C -0.489 175.179 175.510 0.263 0.000 1.250 776 N CA 0.434 53.581 53.050 0.162 0.000 0.862 776 N CB 0.365 39.058 38.487 0.343 0.000 1.066 776 N HN 0.267 nan 8.380 nan 0.000 0.468 777 C N 3.600 123.076 119.300 0.294 0.000 3.199 777 C HA 0.524 4.909 4.460 -0.125 0.000 0.392 777 C C -0.956 174.242 174.990 0.348 0.000 1.050 777 C CA -0.999 58.200 59.018 0.301 0.000 1.222 777 C CB 0.335 28.151 27.740 0.127 0.000 1.595 777 C HN 0.765 nan 8.230 nan 0.000 0.560 778 I N 5.222 126.026 120.570 0.390 0.000 2.382 778 I HA 0.494 4.589 4.170 -0.125 0.000 0.286 778 I C -0.042 176.181 176.117 0.177 0.000 1.002 778 I CA 0.390 61.894 61.300 0.341 0.000 1.135 778 I CB 1.578 39.811 38.000 0.388 0.000 1.288 778 I HN 0.768 nan 8.210 nan 0.000 0.448 779 T N 8.323 122.963 114.554 0.143 0.000 2.744 779 T HA 0.521 4.796 4.350 -0.125 0.000 0.291 779 T C -0.280 174.463 174.700 0.072 0.000 0.957 779 T CA -0.273 61.876 62.100 0.082 0.000 1.002 779 T CB 0.602 69.511 68.868 0.068 0.000 0.919 779 T HN 0.362 nan 8.240 nan 0.000 0.468 780 L N 3.955 125.205 121.223 0.046 0.000 2.362 780 L HA 0.674 4.939 4.340 -0.125 0.000 0.271 780 L C -0.383 176.510 176.870 0.038 0.000 1.002 780 L CA -0.814 54.061 54.840 0.059 0.000 0.818 780 L CB 1.991 44.104 42.059 0.089 0.000 1.298 780 L HN 0.447 nan 8.230 nan 0.000 0.420 781 M N 3.252 122.892 119.600 0.066 0.000 2.386 781 M HA 0.443 4.848 4.480 -0.125 0.000 0.293 781 M C -1.128 175.243 176.300 0.119 0.000 1.120 781 M CA -0.410 54.931 55.300 0.069 0.000 0.909 781 M CB 2.957 35.579 32.600 0.035 0.000 1.661 781 M HN 0.638 nan 8.290 nan 0.000 0.452 782 E N 1.821 122.126 120.200 0.176 0.000 2.412 782 E HA 0.760 5.035 4.350 -0.125 0.000 0.279 782 E C -1.543 175.135 176.600 0.130 0.000 0.984 782 E CA -1.210 55.276 56.400 0.144 0.000 0.788 782 E CB 1.640 31.420 29.700 0.134 0.000 1.277 782 E HN 0.689 nan 8.360 nan 0.000 0.455 783 A N 1.449 124.313 122.820 0.075 0.000 2.488 783 A HA 0.459 4.704 4.320 -0.125 0.000 0.249 783 A C -0.045 177.570 177.584 0.051 0.000 1.083 783 A CA 0.285 52.355 52.037 0.056 0.000 0.768 783 A CB 0.637 19.657 19.000 0.033 0.000 1.017 783 A HN 0.486 nan 8.150 nan 0.000 0.496 784 S N 0.748 116.482 115.700 0.057 0.000 2.661 784 S HA 0.851 5.246 4.470 -0.125 0.000 0.285 784 S C -0.004 174.615 174.600 0.031 0.000 1.138 784 S CA 0.684 58.909 58.200 0.043 0.000 0.855 784 S CB 1.284 64.539 63.200 0.092 0.000 1.136 784 S HN 2.748 nan 8.310 nan 0.000 0.484 785 G N 2.517 111.329 108.800 0.019 0.000 2.710 785 G HA2 -0.098 3.787 3.960 -0.125 0.000 0.668 785 G HA3 -0.098 3.787 3.960 -0.125 0.000 0.668 785 G C -2.388 172.517 174.900 0.008 0.000 1.320 785 G CA -0.224 44.886 45.100 0.016 0.000 0.860 785 G HN 0.602 nan 8.290 nan 0.000 0.538 786 P HA -0.014 nan 4.420 nan 0.000 0.215 786 P C 2.014 179.317 177.300 0.005 0.000 1.157 786 P CA 2.949 66.052 63.100 0.004 0.000 0.868 786 P CB -0.075 31.628 31.700 0.006 0.000 0.788 787 T N -5.805 108.753 114.554 0.008 0.000 3.086 787 T HA 0.160 4.435 4.350 -0.125 0.000 0.250 787 T C 0.624 175.329 174.700 0.009 0.000 1.074 787 T CA -0.211 61.893 62.100 0.008 0.000 0.988 787 T CB -1.187 67.686 68.868 0.008 0.000 0.988 787 T HN 0.122 nan 8.240 nan 0.000 0.530 788 N N 1.080 119.787 118.700 0.011 0.000 2.754 788 N HA -0.166 4.499 4.740 -0.125 0.000 0.248 788 N C 0.094 175.615 175.510 0.019 0.000 1.093 788 N CA 0.802 53.861 53.050 0.014 0.000 0.699 788 N CB -0.546 37.947 38.487 0.010 0.000 1.016 788 N HN 0.677 nan 8.380 nan 0.000 0.552 789 E N -0.597 119.616 120.200 0.021 0.000 2.539 789 E HA 0.065 4.339 4.350 -0.125 0.000 0.215 789 E C -0.650 175.966 176.600 0.027 0.000 0.965 789 E CA -0.172 56.241 56.400 0.022 0.000 1.019 789 E CB 0.470 30.180 29.700 0.017 0.000 1.059 789 E HN 0.295 nan 8.360 nan 0.000 0.496 790 D N 1.188 121.609 120.400 0.034 0.000 2.264 790 D HA 0.154 4.719 4.640 -0.125 0.000 0.249 790 D C -0.453 175.882 176.300 0.059 0.000 1.070 790 D CA -0.436 53.590 54.000 0.042 0.000 0.912 790 D CB 1.903 42.730 40.800 0.044 0.000 1.193 790 D HN -0.039 nan 8.370 nan 0.000 0.427 791 L N 3.050 124.307 121.223 0.056 0.000 2.260 791 L HA 0.207 4.472 4.340 -0.125 0.000 0.289 791 L C -1.143 175.781 176.870 0.090 0.000 1.057 791 L CA -0.558 54.320 54.840 0.064 0.000 0.811 791 L CB 0.273 42.350 42.059 0.030 0.000 1.184 791 L HN 0.239 nan 8.230 nan 0.000 0.429 792 Y N 6.308 126.615 120.300 0.011 0.000 2.313 792 Y HA 0.592 5.071 4.550 -0.118 0.000 0.332 792 Y C -0.756 175.153 175.900 0.014 0.000 1.071 792 Y CA -0.547 57.560 58.100 0.011 0.000 1.169 792 Y CB 0.957 39.422 38.460 0.009 0.000 1.192 792 Y HN 0.654 nan 8.280 nan 0.000 0.487 793 I N 6.153 126.285 120.570 -0.729 0.000 2.619 793 I HA 0.559 4.654 4.170 -0.125 0.000 0.292 793 I C -1.443 174.277 176.117 -0.661 0.000 1.100 793 I CA -0.353 60.635 61.300 -0.520 0.000 1.043 793 I CB 1.619 39.485 38.000 -0.222 0.000 1.239 793 I HN 0.774 nan 8.210 nan 0.000 0.420 794 S N 5.826 121.295 115.700 -0.385 0.000 2.549 794 S HA 0.703 5.098 4.470 -0.125 0.000 0.280 794 S C -1.290 173.268 174.600 -0.069 0.000 1.109 794 S CA -0.647 57.427 58.200 -0.210 0.000 0.905 794 S CB 1.653 64.798 63.200 -0.091 0.000 1.081 794 S HN 0.674 nan 8.310 nan 0.000 0.477 795 C N 2.220 121.498 119.300 -0.037 0.000 2.431 795 C HA 0.811 5.196 4.460 -0.125 0.000 0.321 795 C C -0.212 174.786 174.990 0.013 0.000 1.202 795 C CA -0.345 58.676 59.018 0.005 0.000 1.398 795 C CB 1.172 28.911 27.740 -0.001 0.000 2.047 795 C HN 0.974 nan 8.230 nan 0.000 0.465 796 T N 4.991 119.566 114.554 0.036 0.000 2.791 796 T HA 0.524 4.799 4.350 -0.125 0.000 0.288 796 T C -0.410 174.312 174.700 0.035 0.000 0.999 796 T CA -0.219 61.886 62.100 0.008 0.000 0.952 796 T CB 0.737 69.588 68.868 -0.028 0.000 0.938 796 T HN 0.559 nan 8.240 nan 0.000 0.444 797 M N 4.732 124.340 119.600 0.014 0.000 2.018 797 M HA 0.287 4.692 4.480 -0.125 0.000 0.311 797 M C -2.111 174.187 176.300 -0.002 0.000 0.928 797 M CA -2.177 53.151 55.300 0.047 0.000 0.911 797 M CB 2.298 34.924 32.600 0.043 0.000 1.447 797 M HN 0.219 nan 8.290 nan 0.000 0.407 798 P HA -0.036 nan 4.420 nan 0.000 0.229 798 P C 0.127 177.414 177.300 -0.021 0.000 1.160 798 P CA 0.790 63.836 63.100 -0.091 0.000 0.777 798 P CB 0.288 31.845 31.700 -0.239 0.000 0.814 799 S N -1.322 114.402 115.700 0.040 0.000 2.407 799 S HA 0.360 4.755 4.470 -0.125 0.000 0.166 799 S C -0.242 174.398 174.600 0.066 0.000 1.445 799 S CA -0.639 57.591 58.200 0.050 0.000 1.260 799 S CB -1.100 62.142 63.200 0.070 0.000 1.401 799 S HN -0.096 nan 8.310 nan 0.000 0.379 800 I N 2.253 122.861 120.570 0.063 0.000 2.363 800 I HA 0.202 4.297 4.170 -0.125 0.000 0.292 800 I C 0.070 176.252 176.117 0.108 0.000 1.075 800 I CA -0.051 61.310 61.300 0.102 0.000 1.333 800 I CB 0.568 38.620 38.000 0.086 0.000 1.415 800 I HN 0.434 nan 8.210 nan 0.000 0.502 801 E N 7.410 127.705 120.200 0.157 0.000 2.081 801 E HA 0.604 4.879 4.350 -0.125 0.000 0.281 801 E C -0.681 175.955 176.600 0.059 0.000 0.986 801 E CA -0.123 56.339 56.400 0.104 0.000 0.796 801 E CB 1.711 31.476 29.700 0.109 0.000 1.085 801 E HN 0.475 nan 8.360 nan 0.000 0.398 802 I N 1.477 122.031 120.570 -0.026 0.000 3.102 802 I HA 0.725 4.820 4.170 -0.125 0.000 0.310 802 I C -0.815 175.229 176.117 -0.121 0.000 1.246 802 I CA -0.602 60.612 61.300 -0.142 0.000 0.979 802 I CB 2.294 40.219 38.000 -0.126 0.000 1.267 802 I HN 0.583 nan 8.210 nan 0.000 0.451 803 G N 0.267 108.973 108.800 -0.158 0.000 2.632 803 G HA2 0.434 4.319 3.960 -0.125 0.000 0.292 803 G HA3 0.434 4.319 3.960 -0.125 0.000 0.292 803 G C -0.460 174.365 174.900 -0.125 0.000 1.465 803 G CA 0.259 45.285 45.100 -0.123 0.000 0.824 803 G HN 0.608 nan 8.290 nan 0.000 0.509 804 T N -2.648 111.843 114.554 -0.105 0.000 3.040 804 T HA 0.474 4.748 4.350 -0.125 0.000 0.266 804 T C 0.099 174.752 174.700 -0.078 0.000 1.005 804 T CA 0.013 62.059 62.100 -0.089 0.000 0.906 804 T CB 0.414 69.237 68.868 -0.075 0.000 1.082 804 T HN 0.594 nan 8.240 nan 0.000 0.531 805 V N 0.970 120.833 119.914 -0.086 0.000 2.789 805 V HA 0.812 4.856 4.120 -0.125 0.000 0.311 805 V C 0.683 176.739 176.094 -0.064 0.000 1.073 805 V CA 0.062 62.318 62.300 -0.073 0.000 0.921 805 V CB 0.955 32.724 31.823 -0.090 0.000 1.009 805 V HN 0.889 nan 8.190 nan 0.000 0.426 806 G N 2.710 111.483 108.800 -0.045 0.000 2.781 806 G HA2 0.414 4.299 3.960 -0.125 0.000 0.683 806 G HA3 0.414 4.299 3.960 -0.125 0.000 0.683 806 G C 0.552 175.432 174.900 -0.034 0.000 1.390 806 G CA -0.152 44.927 45.100 -0.035 0.000 0.850 806 G HN 2.366 nan 8.290 nan 0.000 0.557 807 G N -0.317 108.470 108.800 -0.022 0.000 2.583 807 G HA2 0.146 4.031 3.960 -0.125 0.000 0.292 807 G HA3 0.146 4.031 3.960 -0.125 0.000 0.292 807 G C 1.968 176.859 174.900 -0.015 0.000 1.203 807 G CA 2.035 47.124 45.100 -0.018 0.000 0.987 807 G HN 2.524 nan 8.290 nan 0.000 0.554 808 G N -0.538 108.251 108.800 -0.018 0.000 2.534 808 G HA2 0.189 4.074 3.960 -0.125 0.000 0.217 808 G HA3 0.189 4.074 3.960 -0.125 0.000 0.217 808 G C 1.841 176.728 174.900 -0.022 0.000 1.128 808 G CA 2.247 47.340 45.100 -0.011 0.000 0.784 808 G HN 1.924 nan 8.290 nan 0.000 0.542 809 T N -1.779 112.753 114.554 -0.038 0.000 3.113 809 T HA 0.008 4.283 4.350 -0.125 0.000 0.263 809 T C 1.799 176.479 174.700 -0.034 0.000 1.143 809 T CA 0.721 62.796 62.100 -0.042 0.000 1.090 809 T CB -0.182 68.651 68.868 -0.059 0.000 0.922 809 T HN 0.094 nan 8.240 nan 0.000 0.521 810 N N 0.851 119.535 118.700 -0.026 0.000 2.467 810 N HA 0.223 4.888 4.740 -0.125 0.000 0.184 810 N C 0.233 175.727 175.510 -0.028 0.000 1.106 810 N CA 0.166 53.202 53.050 -0.024 0.000 0.892 810 N CB -0.122 38.355 38.487 -0.016 0.000 0.969 810 N HN 0.522 nan 8.380 nan 0.000 0.454 811 L N 0.779 121.987 121.223 -0.025 0.000 2.350 811 L HA 0.240 4.505 4.340 -0.125 0.000 0.275 811 L C 1.758 178.597 176.870 -0.051 0.000 1.099 811 L CA -0.489 54.329 54.840 -0.037 0.000 0.808 811 L CB 1.248 43.306 42.059 -0.002 0.000 1.149 811 L HN -0.103 nan 8.230 nan 0.000 0.442 812 L N 2.205 123.378 121.223 -0.084 0.000 1.989 812 L HA -0.133 4.132 4.340 -0.125 0.000 0.211 812 L C -0.380 176.453 176.870 -0.061 0.000 1.071 812 L CA 1.553 56.345 54.840 -0.079 0.000 0.749 812 L CB -1.556 40.438 42.059 -0.108 0.000 0.890 812 L HN 0.586 nan 8.230 nan 0.000 0.431 813 P HA -0.192 nan 4.420 nan 0.000 0.215 813 P C 1.417 178.706 177.300 -0.019 0.000 1.153 813 P CA 1.182 64.260 63.100 -0.035 0.000 0.853 813 P CB -0.100 31.587 31.700 -0.021 0.000 0.788 814 Q N -0.304 119.487 119.800 -0.014 0.000 2.230 814 Q HA -0.142 4.122 4.340 -0.125 0.000 0.202 814 Q C 1.998 177.985 176.000 -0.021 0.000 0.963 814 Q CA 1.283 57.078 55.803 -0.013 0.000 0.866 814 Q CB -1.109 27.622 28.738 -0.013 0.000 0.931 814 Q HN 0.469 nan 8.270 nan 0.000 0.452 815 Q N 0.582 120.367 119.800 -0.026 0.000 2.167 815 Q HA -0.014 4.251 4.340 -0.125 0.000 0.202 815 Q C 2.084 178.073 176.000 -0.018 0.000 0.970 815 Q CA 1.230 57.018 55.803 -0.025 0.000 0.855 815 Q CB -0.140 28.580 28.738 -0.029 0.000 0.911 815 Q HN 0.495 nan 8.270 nan 0.000 0.438 816 A N 0.220 123.030 122.820 -0.018 0.000 1.902 816 A HA -0.188 4.057 4.320 -0.125 0.000 0.217 816 A C 2.286 179.869 177.584 -0.002 0.000 1.181 816 A CA 1.239 53.270 52.037 -0.011 0.000 0.623 816 A CB -0.850 18.141 19.000 -0.014 0.000 0.818 816 A HN 0.471 nan 8.150 nan 0.000 0.443 817 C N -0.871 118.428 119.300 -0.002 0.000 2.440 817 C HA 0.016 4.401 4.460 -0.125 0.000 0.278 817 C C 2.631 177.625 174.990 0.006 0.000 1.295 817 C CA 0.868 59.889 59.018 0.005 0.000 1.738 817 C CB -1.463 26.280 27.740 0.005 0.000 1.987 817 C HN 0.619 nan 8.230 nan 0.000 0.492 818 L N 0.157 121.377 121.223 -0.005 0.000 2.093 818 L HA -0.204 4.061 4.340 -0.125 0.000 0.208 818 L C 2.767 179.642 176.870 0.009 0.000 1.085 818 L CA 1.477 56.313 54.840 -0.008 0.000 0.755 818 L CB -0.671 41.374 42.059 -0.024 0.000 0.904 818 L HN 0.441 nan 8.230 nan 0.000 0.435 819 Q N -0.671 119.134 119.800 0.008 0.000 2.119 819 Q HA -0.249 4.016 4.340 -0.125 0.000 0.201 819 Q C 2.286 178.303 176.000 0.029 0.000 0.972 819 Q CA 1.562 57.373 55.803 0.014 0.000 0.847 819 Q CB -0.161 28.579 28.738 0.005 0.000 0.903 819 Q HN 0.472 nan 8.270 nan 0.000 0.433 820 M N 0.293 119.911 119.600 0.030 0.000 2.195 820 M HA -0.197 4.208 4.480 -0.125 0.000 0.260 820 M C 1.345 177.693 176.300 0.081 0.000 1.066 820 M CA 1.444 56.769 55.300 0.043 0.000 1.089 820 M CB 0.158 32.780 32.600 0.037 0.000 1.377 820 M HN 0.209 nan 8.290 nan 0.000 0.411 821 L N -1.056 120.223 121.223 0.094 0.000 2.529 821 L HA 0.223 4.488 4.340 -0.125 0.000 0.223 821 L C 1.248 178.237 176.870 0.199 0.000 1.113 821 L CA 0.390 55.337 54.840 0.178 0.000 0.861 821 L CB -0.119 41.993 42.059 0.089 0.000 1.012 821 L HN 0.611 nan 8.230 nan 0.000 0.461 822 G N 0.944 109.808 108.800 0.107 0.000 2.160 822 G HA2 -0.250 3.635 3.960 -0.125 0.000 0.244 822 G HA3 -0.250 3.635 3.960 -0.125 0.000 0.244 822 G C 0.535 175.478 174.900 0.071 0.000 1.022 822 G CA 0.371 45.523 45.100 0.086 0.000 0.741 822 G HN 0.355 nan 8.290 nan 0.000 0.508 823 V N -3.372 116.569 119.914 0.045 0.000 3.166 823 V HA 0.488 4.533 4.120 -0.125 0.000 0.332 823 V C 0.663 176.752 176.094 -0.009 0.000 1.434 823 V CA 0.308 62.617 62.300 0.015 0.000 1.121 823 V CB 0.849 32.669 31.823 -0.005 0.000 1.062 823 V HN 0.417 nan 8.190 nan 0.000 0.489 824 Q N 2.031 121.829 119.800 -0.005 0.000 2.337 824 Q HA 0.447 4.712 4.340 -0.125 0.000 0.270 824 Q C 0.842 176.830 176.000 -0.020 0.000 1.002 824 Q CA 1.802 57.595 55.803 -0.017 0.000 0.888 824 Q CB 1.007 29.738 28.738 -0.012 0.000 1.222 824 Q HN 1.148 nan 8.270 nan 0.000 0.400 825 G N 2.548 111.329 108.800 -0.032 0.000 2.749 825 G HA2 -0.216 3.669 3.960 -0.125 0.000 0.242 825 G HA3 -0.216 3.669 3.960 -0.125 0.000 0.242 825 G C -0.447 174.429 174.900 -0.040 0.000 1.364 825 G CA -0.227 44.853 45.100 -0.034 0.000 0.888 825 G HN 1.047 nan 8.290 nan 0.000 0.566 826 A N -1.247 121.551 122.820 -0.037 0.000 2.445 826 A HA 0.471 4.716 4.320 -0.125 0.000 0.242 826 A C 0.894 178.468 177.584 -0.016 0.000 1.075 826 A CA 0.863 52.874 52.037 -0.043 0.000 0.777 826 A CB 0.537 19.524 19.000 -0.021 0.000 1.013 826 A HN 2.272 nan 8.150 nan 0.000 0.493 827 C N 4.253 123.543 119.300 -0.016 0.000 2.223 827 C HA 0.405 4.790 4.460 -0.125 0.000 0.324 827 C C 1.474 176.484 174.990 0.034 0.000 1.196 827 C CA -0.980 58.043 59.018 0.008 0.000 1.628 827 C CB -0.867 26.876 27.740 0.005 0.000 2.229 827 C HN 0.907 nan 8.230 nan 0.000 0.486 828 K N 2.673 123.096 120.400 0.038 0.000 2.020 828 K HA -0.113 4.132 4.320 -0.125 0.000 0.212 828 K C 1.183 177.816 176.600 0.055 0.000 1.050 828 K CA 1.841 58.158 56.287 0.051 0.000 0.929 828 K CB -0.214 32.308 32.500 0.037 0.000 0.714 828 K HN 0.710 nan 8.250 nan 0.000 0.443 829 D N 0.054 120.479 120.400 0.042 0.000 2.347 829 D HA -0.055 4.510 4.640 -0.125 0.000 0.215 829 D C 0.083 176.410 176.300 0.045 0.000 0.976 829 D CA 0.610 54.633 54.000 0.039 0.000 0.884 829 D CB -0.012 40.806 40.800 0.029 0.000 0.915 829 D HN 0.101 nan 8.370 nan 0.000 0.526 830 N N -0.030 118.699 118.700 0.049 0.000 2.824 830 N HA 0.140 4.805 4.740 -0.125 0.000 0.224 830 N C -2.971 172.570 175.510 0.051 0.000 1.418 830 N CA -1.324 51.756 53.050 0.050 0.000 0.743 830 N CB 0.931 39.440 38.487 0.036 0.000 1.395 830 N HN -0.287 nan 8.380 nan 0.000 0.548 831 P HA 0.136 nan 4.420 nan 0.000 0.259 831 P C 0.902 178.209 177.300 0.011 0.000 1.163 831 P CA 1.348 64.492 63.100 0.073 0.000 0.760 831 P CB 0.410 32.271 31.700 0.269 0.000 0.762 832 G N 3.069 111.831 108.800 -0.063 0.000 2.258 832 G HA2 -0.303 3.582 3.960 -0.125 0.000 0.233 832 G HA3 -0.303 3.582 3.960 -0.125 0.000 0.233 832 G C 1.239 176.118 174.900 -0.034 0.000 1.006 832 G CA 0.455 45.518 45.100 -0.062 0.000 0.620 832 G HN 0.513 nan 8.290 nan 0.000 0.511 833 E N 1.268 121.460 120.200 -0.013 0.000 2.118 833 E HA -0.075 4.200 4.350 -0.125 0.000 0.195 833 E C 2.236 178.830 176.600 -0.010 0.000 0.992 833 E CA 2.005 58.404 56.400 -0.002 0.000 0.804 833 E CB -0.313 29.395 29.700 0.013 0.000 0.741 833 E HN 0.527 nan 8.360 nan 0.000 0.458 834 N N -0.079 118.609 118.700 -0.021 0.000 2.142 834 N HA -0.090 4.575 4.740 -0.125 0.000 0.186 834 N C 1.514 176.998 175.510 -0.044 0.000 1.023 834 N CA 1.570 54.605 53.050 -0.024 0.000 0.852 834 N CB -0.618 37.852 38.487 -0.029 0.000 0.998 834 N HN 0.289 nan 8.380 nan 0.000 0.424 835 A N 1.233 124.019 122.820 -0.058 0.000 1.898 835 A HA -0.085 4.160 4.320 -0.125 0.000 0.216 835 A C 2.215 179.767 177.584 -0.054 0.000 1.181 835 A CA 1.103 53.100 52.037 -0.067 0.000 0.620 835 A CB -0.347 18.607 19.000 -0.077 0.000 0.819 835 A HN 0.229 nan 8.150 nan 0.000 0.442 836 R N -1.129 119.347 120.500 -0.040 0.000 2.081 836 R HA -0.161 4.104 4.340 -0.125 0.000 0.235 836 R C 2.474 178.750 176.300 -0.041 0.000 1.131 836 R CA 1.573 57.654 56.100 -0.031 0.000 0.960 836 R CB -0.275 30.016 30.300 -0.016 0.000 0.856 836 R HN 0.610 nan 8.270 nan 0.000 0.436 837 Q N 1.097 120.873 119.800 -0.040 0.000 2.084 837 Q HA -0.150 4.115 4.340 -0.125 0.000 0.202 837 Q C 1.900 177.821 176.000 -0.132 0.000 0.978 837 Q CA 1.357 57.124 55.803 -0.060 0.000 0.844 837 Q CB -0.286 28.445 28.738 -0.011 0.000 0.898 837 Q HN 0.220 nan 8.270 nan 0.000 0.426 838 L N 0.110 121.268 121.223 -0.108 0.000 2.046 838 L HA -0.014 4.251 4.340 -0.125 0.000 0.208 838 L C 2.073 178.882 176.870 -0.102 0.000 1.077 838 L CA 2.243 57.009 54.840 -0.124 0.000 0.747 838 L CB -1.205 40.795 42.059 -0.100 0.000 0.896 838 L HN 0.257 nan 8.230 nan 0.000 0.432 839 A N -0.429 122.350 122.820 -0.068 0.000 1.902 839 A HA -0.205 4.040 4.320 -0.125 0.000 0.217 839 A C 2.384 179.936 177.584 -0.054 0.000 1.181 839 A CA 1.653 53.669 52.037 -0.034 0.000 0.623 839 A CB -0.518 18.471 19.000 -0.018 0.000 0.818 839 A HN 0.501 nan 8.150 nan 0.000 0.443 840 R N -0.605 119.847 120.500 -0.080 0.000 2.081 840 R HA -0.068 4.197 4.340 -0.125 0.000 0.235 840 R C 2.012 178.227 176.300 -0.141 0.000 1.131 840 R CA 1.566 57.612 56.100 -0.089 0.000 0.960 840 R CB -0.572 29.681 30.300 -0.080 0.000 0.856 840 R HN 0.576 nan 8.270 nan 0.000 0.436 841 I N 0.417 120.843 120.570 -0.239 0.000 2.226 841 I HA -0.255 3.840 4.170 -0.125 0.000 0.245 841 I C 2.355 178.379 176.117 -0.155 0.000 1.100 841 I CA 1.110 62.220 61.300 -0.316 0.000 1.374 841 I CB -0.228 37.489 38.000 -0.472 0.000 1.057 841 I HN -0.047 nan 8.210 nan 0.000 0.413 842 V N -0.068 119.792 119.914 -0.091 0.000 2.343 842 V HA -0.354 3.691 4.120 -0.125 0.000 0.247 842 V C 2.559 178.631 176.094 -0.037 0.000 1.051 842 V CA 1.968 64.250 62.300 -0.029 0.000 1.036 842 V CB -0.504 31.347 31.823 0.047 0.000 0.654 842 V HN 0.641 nan 8.190 nan 0.000 0.451 843 C N 0.732 120.009 119.300 -0.038 0.000 2.425 843 C HA -0.042 4.343 4.460 -0.125 0.000 0.277 843 C C 2.915 177.884 174.990 -0.036 0.000 1.280 843 C CA 0.903 59.903 59.018 -0.030 0.000 1.744 843 C CB -1.509 26.217 27.740 -0.023 0.000 1.989 843 C HN 0.650 nan 8.230 nan 0.000 0.491 844 G N -0.524 108.249 108.800 -0.046 0.000 2.402 844 G HA2 -0.128 3.757 3.960 -0.125 0.000 0.216 844 G HA3 -0.128 3.757 3.960 -0.125 0.000 0.216 844 G C 1.764 176.648 174.900 -0.028 0.000 1.162 844 G CA 1.528 46.608 45.100 -0.033 0.000 0.777 844 G HN 0.535 nan 8.290 nan 0.000 0.539 845 T N 0.975 115.505 114.554 -0.039 0.000 2.777 845 T HA -0.087 4.188 4.350 -0.125 0.000 0.266 845 T C 2.516 177.191 174.700 -0.042 0.000 1.040 845 T CA 1.060 63.142 62.100 -0.031 0.000 1.141 845 T CB -0.244 68.602 68.868 -0.035 0.000 0.868 845 T HN 0.044 nan 8.240 nan 0.000 0.444 846 V N 1.724 121.605 119.914 -0.055 0.000 2.287 846 V HA -0.226 3.819 4.120 -0.125 0.000 0.248 846 V C 2.473 178.543 176.094 -0.040 0.000 1.053 846 V CA 1.933 64.189 62.300 -0.073 0.000 1.027 846 V CB -0.590 31.195 31.823 -0.063 0.000 0.646 846 V HN 0.479 nan 8.190 nan 0.000 0.447 847 M N -0.291 119.293 119.600 -0.026 0.000 2.149 847 M HA -0.189 4.215 4.480 -0.125 0.000 0.261 847 M C 2.118 178.415 176.300 -0.005 0.000 1.064 847 M CA 2.206 57.495 55.300 -0.018 0.000 1.102 847 M CB -0.271 32.310 32.600 -0.032 0.000 1.369 847 M HN 0.368 nan 8.290 nan 0.000 0.408 848 A N -0.088 122.731 122.820 -0.002 0.000 1.902 848 A HA -0.039 4.206 4.320 -0.125 0.000 0.217 848 A C 2.252 179.858 177.584 0.037 0.000 1.181 848 A CA 1.749 53.793 52.037 0.012 0.000 0.623 848 A CB -1.584 17.424 19.000 0.013 0.000 0.818 848 A HN 0.623 nan 8.150 nan 0.000 0.443 849 G N -0.453 108.368 108.800 0.035 0.000 2.418 849 G HA2 -0.191 3.693 3.960 -0.125 0.000 0.217 849 G HA3 -0.191 3.693 3.960 -0.125 0.000 0.217 849 G C 1.398 176.457 174.900 0.265 0.000 1.158 849 G CA 0.959 46.131 45.100 0.119 0.000 0.771 849 G HN 0.493 nan 8.290 nan 0.000 0.545 850 E N 0.311 120.598 120.200 0.145 0.000 2.077 850 E HA -0.027 4.248 4.350 -0.125 0.000 0.193 850 E C 2.602 179.241 176.600 0.064 0.000 0.989 850 E CA 0.245 56.724 56.400 0.132 0.000 0.800 850 E CB -0.374 29.368 29.700 0.070 0.000 0.746 850 E HN 0.393 nan 8.360 nan 0.000 0.452 851 L N 0.620 121.866 121.223 0.039 0.000 1.989 851 L HA -0.222 4.043 4.340 -0.125 0.000 0.211 851 L C 2.709 179.587 176.870 0.013 0.000 1.071 851 L CA 1.386 56.234 54.840 0.015 0.000 0.749 851 L CB -0.360 41.703 42.059 0.006 0.000 0.890 851 L HN 0.133 nan 8.230 nan 0.000 0.431 852 S N -0.376 115.341 115.700 0.027 0.000 2.348 852 S HA -0.208 4.187 4.470 -0.125 0.000 0.221 852 S C 1.838 176.426 174.600 -0.020 0.000 1.033 852 S CA 1.582 59.790 58.200 0.013 0.000 1.010 852 S CB -0.287 62.932 63.200 0.032 0.000 0.891 852 S HN 0.311 nan 8.310 nan 0.000 0.442 853 L N 1.667 122.863 121.223 -0.044 0.000 2.046 853 L HA 0.029 4.294 4.340 -0.125 0.000 0.208 853 L C 2.196 179.001 176.870 -0.109 0.000 1.077 853 L CA 1.865 56.611 54.840 -0.157 0.000 0.747 853 L CB -0.693 41.101 42.059 -0.442 0.000 0.896 853 L HN 0.308 nan 8.230 nan 0.000 0.432 854 M N -0.691 118.873 119.600 -0.060 0.000 2.159 854 M HA -0.105 4.300 4.480 -0.125 0.000 0.263 854 M C 2.402 178.682 176.300 -0.034 0.000 1.063 854 M CA 1.615 56.890 55.300 -0.041 0.000 1.110 854 M CB -1.675 30.916 32.600 -0.014 0.000 1.374 854 M HN 0.440 nan 8.290 nan 0.000 0.411 855 A N 0.423 123.227 122.820 -0.027 0.000 1.877 855 A HA -0.013 4.231 4.320 -0.125 0.000 0.216 855 A C 2.461 180.026 177.584 -0.030 0.000 1.186 855 A CA 2.195 54.220 52.037 -0.020 0.000 0.620 855 A CB -0.944 18.049 19.000 -0.012 0.000 0.822 855 A HN 0.469 nan 8.150 nan 0.000 0.443 856 A N -0.361 122.432 122.820 -0.045 0.000 1.902 856 A HA -0.038 4.207 4.320 -0.125 0.000 0.217 856 A C 2.173 179.715 177.584 -0.071 0.000 1.181 856 A CA 1.524 53.525 52.037 -0.059 0.000 0.623 856 A CB -0.594 18.361 19.000 -0.075 0.000 0.818 856 A HN 0.476 nan 8.150 nan 0.000 0.443 857 L N -0.944 120.235 121.223 -0.073 0.000 2.093 857 L HA -0.151 4.114 4.340 -0.125 0.000 0.208 857 L C 3.059 179.901 176.870 -0.046 0.000 1.085 857 L CA 0.950 55.747 54.840 -0.070 0.000 0.755 857 L CB -0.500 41.518 42.059 -0.069 0.000 0.904 857 L HN 0.431 nan 8.230 nan 0.000 0.435 858 A N 0.025 122.825 122.820 -0.033 0.000 1.930 858 A HA -0.094 4.151 4.320 -0.125 0.000 0.217 858 A C 2.436 180.013 177.584 -0.011 0.000 1.175 858 A CA 1.546 53.572 52.037 -0.017 0.000 0.627 858 A CB -0.556 18.438 19.000 -0.011 0.000 0.815 858 A HN 0.381 nan 8.150 nan 0.000 0.443 859 A N -1.586 121.225 122.820 -0.015 0.000 2.119 859 A HA 0.346 4.591 4.320 -0.125 0.000 0.216 859 A C 2.323 179.909 177.584 0.003 0.000 1.152 859 A CA 1.444 53.480 52.037 -0.003 0.000 0.708 859 A CB -1.131 17.867 19.000 -0.004 0.000 0.805 859 A HN 1.691 nan 8.150 nan 0.000 0.460 860 G N -1.091 107.695 108.800 -0.023 0.000 4.475 860 G HA2 -0.370 3.515 3.960 -0.125 0.000 0.240 860 G HA3 -0.370 3.515 3.960 -0.125 0.000 0.240 860 G C 0.465 175.347 174.900 -0.030 0.000 1.662 860 G CA 1.538 46.620 45.100 -0.030 0.000 1.658 860 G HN 1.121 nan 8.290 nan 0.000 0.824 861 H N 0.000 119.064 119.070 -0.010 0.000 2.539 861 H HA 0.000 4.482 4.556 -0.123 0.000 0.296 861 H CA 0.000 56.042 56.048 -0.009 0.000 1.023 861 H CB 0.000 29.756 29.762 -0.010 0.000 1.292 861 H HN 0.000 nan 8.280 nan 0.000 0.496