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 3cd5_1_D DATA FIRST_RESID 442 DATA SEQUENCE PRPNEECLQX XXXXXXGAKF 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 LVK 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 0.000 177.294 177.300 -0.010 0.000 1.155 442 P CA 0.000 63.095 63.100 -0.008 0.000 0.800 442 P CB 0.000 31.694 31.700 -0.011 0.000 0.726 443 R N 0.889 121.381 120.500 -0.014 0.000 2.596 443 R HA 0.710 4.927 4.340 -0.206 0.000 0.267 443 R C -2.028 174.256 176.300 -0.027 0.000 1.026 443 R CA -1.467 54.623 56.100 -0.017 0.000 1.087 443 R CB 0.179 30.469 30.300 -0.016 0.000 1.132 443 R HN 0.295 nan 8.270 nan 0.000 0.531 444 P HA 0.021 nan 4.420 nan 0.000 0.272 444 P C -0.239 177.022 177.300 -0.065 0.000 1.248 444 P CA -0.196 62.885 63.100 -0.032 0.000 0.799 444 P CB 0.485 32.175 31.700 -0.016 0.000 0.997 445 N N 0.192 118.835 118.700 -0.094 0.000 2.322 445 N HA -0.029 4.587 4.740 -0.206 0.000 0.194 445 N C 0.655 176.068 175.510 -0.162 0.000 1.126 445 N CA 0.335 53.250 53.050 -0.226 0.000 0.845 445 N CB 0.271 38.463 38.487 -0.491 0.000 0.976 445 N HN 0.389 nan 8.380 nan 0.000 0.475 446 E N 0.847 121.017 120.200 -0.049 0.000 2.276 446 E HA 0.071 4.297 4.350 -0.206 0.000 0.193 446 E C 1.163 177.751 176.600 -0.021 0.000 0.983 446 E CA 0.472 56.868 56.400 -0.006 0.000 0.861 446 E CB 0.171 29.881 29.700 0.016 0.000 0.817 446 E HN 0.312 nan 8.360 nan 0.000 0.485 447 E N -0.728 119.453 120.200 -0.033 0.000 2.482 447 E HA -0.055 4.171 4.350 -0.206 0.000 0.196 447 E C 0.795 177.374 176.600 -0.034 0.000 1.047 447 E CA 0.372 56.753 56.400 -0.031 0.000 0.869 447 E CB 0.116 29.798 29.700 -0.029 0.000 0.836 447 E HN 0.311 nan 8.360 nan 0.000 0.520 448 C N -0.419 118.854 119.300 -0.045 0.000 2.865 448 C HA 0.200 4.537 4.460 -0.206 0.000 0.280 448 C C 2.180 177.152 174.990 -0.030 0.000 1.255 448 C CA -0.384 58.610 59.018 -0.040 0.000 1.705 448 C CB -0.596 27.104 27.740 -0.067 0.000 2.080 448 C HN 0.348 nan 8.230 nan 0.000 0.591 449 L N 0.887 122.095 121.223 -0.026 0.000 2.291 449 L HA -0.049 4.168 4.340 -0.206 0.000 0.214 449 L C 1.391 178.257 176.870 -0.007 0.000 1.120 449 L CA 0.912 55.746 54.840 -0.009 0.000 0.799 449 L CB -0.612 41.454 42.059 0.012 0.000 0.925 449 L HN 0.483 nan 8.230 nan 0.000 0.446 459 A N 0.357 123.243 122.820 0.110 0.000 2.119 459 A HA 0.281 4.478 4.320 -0.206 0.000 0.216 459 A C 1.931 179.525 177.584 0.017 0.000 1.152 459 A CA 2.106 54.175 52.037 0.053 0.000 0.708 459 A CB -0.287 18.718 19.000 0.008 0.000 0.805 459 A HN 0.391 nan 8.150 nan 0.000 0.460 460 K N -0.963 119.408 120.400 -0.049 0.000 2.211 460 K HA -0.051 4.145 4.320 -0.206 0.000 0.203 460 K C 0.810 177.254 176.600 -0.261 0.000 1.050 460 K CA 1.306 57.457 56.287 -0.227 0.000 0.945 460 K CB -0.257 31.983 32.500 -0.434 0.000 0.732 460 K HN 0.447 nan 8.250 nan 0.000 0.451 461 F N 0.839 120.781 119.950 -0.014 0.000 2.780 461 F HA 0.149 4.552 4.527 -0.206 0.000 0.299 461 F C 0.568 176.359 175.800 -0.015 0.000 1.146 461 F CA -0.055 57.938 58.000 -0.013 0.000 1.428 461 F CB 0.076 39.068 39.000 -0.013 0.000 1.115 461 F HN -0.127 nan 8.300 nan 0.000 0.583 462 L N -0.837 120.458 121.223 0.120 0.000 2.416 462 L HA 0.451 4.668 4.340 -0.206 0.000 0.263 462 L C 0.660 177.544 176.870 0.023 0.000 1.065 462 L CA -0.952 53.925 54.840 0.061 0.000 0.798 462 L CB 1.089 43.171 42.059 0.039 0.000 1.267 462 L HN -0.081 nan 8.230 nan 0.000 0.467 463 S N -2.167 113.540 115.700 0.011 0.000 2.747 463 S HA 0.292 4.639 4.470 -0.206 0.000 0.300 463 S C 0.196 174.791 174.600 -0.008 0.000 1.121 463 S CA -0.804 57.397 58.200 0.001 0.000 0.995 463 S CB 1.608 64.809 63.200 0.002 0.000 1.113 463 S HN 0.560 nan 8.310 nan 0.000 0.547 464 D N 1.050 121.444 120.400 -0.010 0.000 2.144 464 D HA -0.003 4.514 4.640 -0.206 0.000 0.200 464 D C 2.086 178.373 176.300 -0.021 0.000 0.978 464 D CA 1.570 55.560 54.000 -0.016 0.000 0.833 464 D CB -0.751 40.040 40.800 -0.014 0.000 0.961 464 D HN 0.684 nan 8.370 nan 0.000 0.470 465 A N 0.775 123.585 122.820 -0.018 0.000 2.015 465 A HA -0.182 4.014 4.320 -0.206 0.000 0.219 465 A C 2.106 179.674 177.584 -0.027 0.000 1.163 465 A CA 1.416 53.440 52.037 -0.020 0.000 0.646 465 A CB -0.379 18.611 19.000 -0.016 0.000 0.806 465 A HN 0.139 nan 8.150 nan 0.000 0.448 466 E N -0.339 119.844 120.200 -0.027 0.000 2.046 466 E HA -0.096 4.130 4.350 -0.206 0.000 0.190 466 E C 1.744 178.315 176.600 -0.049 0.000 0.982 466 E CA 1.145 57.522 56.400 -0.039 0.000 0.800 466 E CB -0.061 29.622 29.700 -0.027 0.000 0.756 466 E HN 0.495 nan 8.360 nan 0.000 0.449 467 I N 0.743 121.291 120.570 -0.037 0.000 2.439 467 I HA -0.166 3.881 4.170 -0.206 0.000 0.251 467 I C 2.205 178.301 176.117 -0.035 0.000 1.139 467 I CA 0.998 62.276 61.300 -0.037 0.000 1.438 467 I CB -0.746 37.236 38.000 -0.030 0.000 1.085 467 I HN 0.236 nan 8.210 nan 0.000 0.427 468 I N 0.314 120.865 120.570 -0.032 0.000 2.179 468 I HA -0.279 3.768 4.170 -0.206 0.000 0.242 468 I C 2.529 178.633 176.117 -0.022 0.000 1.088 468 I CA 1.187 62.471 61.300 -0.026 0.000 1.357 468 I CB -0.271 37.714 38.000 -0.026 0.000 1.051 468 I HN 0.244 nan 8.210 nan 0.000 0.409 469 Q N 0.049 119.830 119.800 -0.032 0.000 2.436 469 Q HA -0.103 4.113 4.340 -0.206 0.000 0.209 469 Q C 2.085 178.060 176.000 -0.042 0.000 0.965 469 Q CA 0.943 56.728 55.803 -0.031 0.000 0.910 469 Q CB 0.127 28.839 28.738 -0.044 0.000 0.980 469 Q HN 0.383 nan 8.270 nan 0.000 0.491 470 L N -0.926 120.260 121.223 -0.063 0.000 2.109 470 L HA -0.106 4.111 4.340 -0.206 0.000 0.207 470 L C 2.163 179.065 176.870 0.053 0.000 1.086 470 L CA 1.100 55.908 54.840 -0.053 0.000 0.760 470 L CB -0.595 41.424 42.059 -0.068 0.000 0.910 470 L HN -0.036 nan 8.230 nan 0.000 0.437 471 V N -1.083 118.844 119.914 0.021 0.000 3.129 471 V HA -0.112 3.885 4.120 -0.206 0.000 0.259 471 V C 1.732 177.847 176.094 0.035 0.000 1.116 471 V CA 1.121 63.435 62.300 0.025 0.000 1.127 471 V CB -0.742 31.082 31.823 0.003 0.000 0.742 471 V HN 0.506 nan 8.190 nan 0.000 0.474 472 N N 0.213 118.936 118.700 0.038 0.000 2.424 472 N HA 0.127 4.743 4.740 -0.206 0.000 0.178 472 N C 1.399 176.940 175.510 0.052 0.000 1.060 472 N CA 0.730 53.800 53.050 0.034 0.000 0.901 472 N CB 0.142 38.640 38.487 0.018 0.000 0.979 472 N HN 0.461 nan 8.380 nan 0.000 0.451 473 A N 0.649 123.530 122.820 0.102 0.000 2.470 473 A HA 0.202 4.398 4.320 -0.206 0.000 0.251 473 A C 0.369 177.988 177.584 0.058 0.000 1.245 473 A CA -0.142 51.959 52.037 0.106 0.000 0.932 473 A CB 0.141 19.252 19.000 0.186 0.000 1.037 473 A HN 0.117 nan 8.150 nan 0.000 0.522 474 K N -0.715 119.726 120.400 0.067 0.000 3.391 474 K HA -0.229 3.968 4.320 -0.206 0.000 0.307 474 K C 0.536 177.134 176.600 -0.004 0.000 1.304 474 K CA 1.017 57.314 56.287 0.017 0.000 0.904 474 K CB -2.225 30.264 32.500 -0.018 0.000 1.293 474 K HN 0.758 nan 8.250 nan 0.000 0.470 475 H N 0.099 119.157 119.070 -0.020 0.000 2.289 475 H HA -0.023 4.409 4.556 -0.206 0.000 0.296 475 H C 1.221 176.527 175.328 -0.036 0.000 1.091 475 H CA 1.653 57.687 56.048 -0.024 0.000 1.274 475 H CB 0.160 29.908 29.762 -0.022 0.000 1.364 475 H HN 0.331 nan 8.280 nan 0.000 0.490 476 I N 1.081 121.702 120.570 0.086 0.000 2.530 476 I HA 0.275 4.322 4.170 -0.206 0.000 0.297 476 I C -2.349 173.733 176.117 -0.057 0.000 1.011 476 I CA -2.437 58.858 61.300 -0.009 0.000 1.107 476 I CB 2.361 40.346 38.000 -0.024 0.000 1.285 476 I HN -0.130 nan 8.210 nan 0.000 0.436 477 P HA 0.174 nan 4.420 nan 0.000 0.272 477 P C -0.252 176.911 177.300 -0.228 0.000 1.223 477 P CA -0.215 62.755 63.100 -0.216 0.000 0.784 477 P CB 0.898 32.299 31.700 -0.498 0.000 0.923 478 A N 1.794 124.554 122.820 -0.099 0.000 2.067 478 A HA -0.122 4.075 4.320 -0.206 0.000 0.217 478 A C 1.413 179.003 177.584 0.010 0.000 1.156 478 A CA 0.902 52.928 52.037 -0.018 0.000 0.683 478 A CB -1.384 17.648 19.000 0.054 0.000 0.808 478 A HN 0.727 nan 8.150 nan 0.000 0.455 479 Y N -1.252 119.050 120.300 0.005 0.000 2.502 479 Y HA 0.321 4.747 4.550 -0.206 0.000 0.295 479 Y C 1.492 177.396 175.900 0.006 0.000 1.193 479 Y CA 0.120 58.223 58.100 0.005 0.000 1.295 479 Y CB -0.233 38.231 38.460 0.006 0.000 1.059 479 Y HN 0.097 nan 8.280 nan 0.000 0.514 480 K N 0.638 120.899 120.400 -0.232 0.000 2.166 480 K HA 0.128 4.325 4.320 -0.206 0.000 0.201 480 K C 1.638 178.201 176.600 -0.062 0.000 1.052 480 K CA 0.671 56.863 56.287 -0.159 0.000 0.969 480 K CB -0.084 32.287 32.500 -0.215 0.000 0.761 480 K HN 0.411 nan 8.250 nan 0.000 0.459 481 L N 1.353 122.544 121.223 -0.052 0.000 2.265 481 L HA -0.157 4.059 4.340 -0.206 0.000 0.215 481 L C 1.922 178.783 176.870 -0.015 0.000 1.117 481 L CA 0.832 55.653 54.840 -0.032 0.000 0.782 481 L CB -0.387 41.653 42.059 -0.031 0.000 0.914 481 L HN 0.119 nan 8.230 nan 0.000 0.441 482 E N 0.011 120.215 120.200 0.006 0.000 2.086 482 E HA -0.216 4.010 4.350 -0.206 0.000 0.200 482 E C 2.083 178.686 176.600 0.004 0.000 1.012 482 E CA 2.247 58.660 56.400 0.020 0.000 0.812 482 E CB -0.196 29.533 29.700 0.048 0.000 0.743 482 E HN 0.382 nan 8.360 nan 0.000 0.453 483 T N -0.311 114.243 114.554 -0.001 0.000 3.044 483 T HA 0.078 4.305 4.350 -0.206 0.000 0.255 483 T C 1.643 176.323 174.700 -0.032 0.000 1.073 483 T CA -0.031 62.060 62.100 -0.015 0.000 1.125 483 T CB -0.015 68.853 68.868 0.000 0.000 0.908 483 T HN -0.057 nan 8.240 nan 0.000 0.480 484 L N 0.883 122.089 121.223 -0.028 0.000 2.012 484 L HA 0.074 4.290 4.340 -0.206 0.000 0.210 484 L C 0.822 177.671 176.870 -0.035 0.000 1.073 484 L CA 1.346 56.170 54.840 -0.028 0.000 0.748 484 L CB -0.647 41.396 42.059 -0.027 0.000 0.891 484 L HN 0.254 nan 8.230 nan 0.000 0.431 485 I N -0.733 119.810 120.570 -0.045 0.000 2.696 485 I HA -0.066 3.980 4.170 -0.206 0.000 0.284 485 I C 1.495 177.563 176.117 -0.081 0.000 1.129 485 I CA 0.167 61.435 61.300 -0.054 0.000 1.410 485 I CB 0.709 38.680 38.000 -0.049 0.000 1.399 485 I HN 0.057 nan 8.210 nan 0.000 0.579 486 E N 1.816 121.968 120.200 -0.080 0.000 2.030 486 E HA -0.061 4.165 4.350 -0.206 0.000 0.189 486 E C 0.727 177.253 176.600 -0.124 0.000 0.974 486 E CA 0.826 57.169 56.400 -0.096 0.000 0.807 486 E CB 0.048 29.699 29.700 -0.083 0.000 0.771 486 E HN 0.658 nan 8.360 nan 0.000 0.451 487 T N -1.103 113.401 114.554 -0.082 0.000 2.907 487 T HA 0.055 4.281 4.350 -0.206 0.000 0.298 487 T C 0.594 175.273 174.700 -0.034 0.000 1.017 487 T CA 0.001 62.075 62.100 -0.044 0.000 1.118 487 T CB 0.513 69.384 68.868 0.006 0.000 0.948 487 T HN 0.204 nan 8.240 nan 0.000 0.531 488 H N 1.759 120.857 119.070 0.046 0.000 2.389 488 H HA 0.056 4.489 4.556 -0.206 0.000 0.299 488 H C 2.123 177.468 175.328 0.027 0.000 1.081 488 H CA 1.641 57.718 56.048 0.048 0.000 1.345 488 H CB 0.385 30.211 29.762 0.107 0.000 1.393 488 H HN 0.746 nan 8.280 nan 0.000 0.520 489 E N 0.562 120.895 120.200 0.223 0.000 2.274 489 E HA -0.142 4.084 4.350 -0.206 0.000 0.194 489 E C 2.094 178.800 176.600 0.177 0.000 0.996 489 E CA 0.298 56.832 56.400 0.225 0.000 0.840 489 E CB 0.192 30.052 29.700 0.268 0.000 0.772 489 E HN 0.326 nan 8.360 nan 0.000 0.491 490 R N -0.631 119.929 120.500 0.100 0.000 2.200 490 R HA -0.007 4.210 4.340 -0.206 0.000 0.208 490 R C 2.183 178.481 176.300 -0.003 0.000 1.033 490 R CA 0.813 56.946 56.100 0.054 0.000 1.000 490 R CB -0.073 30.243 30.300 0.026 0.000 0.906 490 R HN 0.160 nan 8.270 nan 0.000 0.462 491 G N 0.136 108.929 108.800 -0.011 0.000 2.422 491 G HA2 -0.201 3.635 3.960 -0.206 0.000 0.218 491 G HA3 -0.201 3.635 3.960 -0.206 0.000 0.218 491 G C 1.292 176.141 174.900 -0.085 0.000 1.146 491 G CA 0.824 45.902 45.100 -0.037 0.000 0.769 491 G HN 0.178 nan 8.290 nan 0.000 0.547 492 V N 0.525 120.361 119.914 -0.131 0.000 2.358 492 V HA -0.140 3.856 4.120 -0.206 0.000 0.246 492 V C 2.975 178.885 176.094 -0.307 0.000 1.047 492 V CA 2.088 64.247 62.300 -0.236 0.000 1.035 492 V CB -0.315 31.307 31.823 -0.336 0.000 0.658 492 V HN 0.451 nan 8.190 nan 0.000 0.452 493 S N -0.401 115.130 115.700 -0.281 0.000 2.368 493 S HA -0.140 4.207 4.470 -0.206 0.000 0.225 493 S C 1.918 176.387 174.600 -0.218 0.000 1.030 493 S CA 1.652 59.631 58.200 -0.369 0.000 0.999 493 S CB -0.330 62.805 63.200 -0.108 0.000 0.844 493 S HN 0.497 nan 8.310 nan 0.000 0.459 494 I N 0.792 121.285 120.570 -0.129 0.000 2.252 494 I HA -0.128 3.918 4.170 -0.206 0.000 0.245 494 I C 2.809 178.868 176.117 -0.096 0.000 1.102 494 I CA 1.105 62.350 61.300 -0.091 0.000 1.385 494 I CB -0.285 37.679 38.000 -0.060 0.000 1.064 494 I HN 0.244 nan 8.210 nan 0.000 0.414 495 R N 0.747 121.182 120.500 -0.108 0.000 2.096 495 R HA -0.166 4.051 4.340 -0.206 0.000 0.235 495 R C 2.453 178.689 176.300 -0.105 0.000 1.127 495 R CA 1.437 57.483 56.100 -0.091 0.000 0.968 495 R CB -0.058 30.189 30.300 -0.087 0.000 0.861 495 R HN 0.291 nan 8.270 nan 0.000 0.440 496 R N -0.131 120.272 120.500 -0.161 0.000 2.073 496 R HA -0.138 4.078 4.340 -0.206 0.000 0.234 496 R C 2.422 178.651 176.300 -0.119 0.000 1.134 496 R CA 1.791 57.792 56.100 -0.165 0.000 0.952 496 R CB -0.172 29.965 30.300 -0.272 0.000 0.850 496 R HN 0.337 nan 8.270 nan 0.000 0.433 497 Q N 0.322 120.053 119.800 -0.115 0.000 2.119 497 Q HA -0.085 4.132 4.340 -0.206 0.000 0.201 497 Q C 2.189 178.155 176.000 -0.056 0.000 0.972 497 Q CA 1.060 56.815 55.803 -0.080 0.000 0.847 497 Q CB -0.029 28.666 28.738 -0.072 0.000 0.903 497 Q HN 0.325 nan 8.270 nan 0.000 0.433 498 L N 0.059 121.250 121.223 -0.054 0.000 2.042 498 L HA -0.215 4.002 4.340 -0.206 0.000 0.210 498 L C 2.246 179.097 176.870 -0.032 0.000 1.076 498 L CA 0.678 55.497 54.840 -0.036 0.000 0.749 498 L CB -0.302 41.738 42.059 -0.031 0.000 0.893 498 L HN 0.266 nan 8.230 nan 0.000 0.432 499 L N -1.210 119.988 121.223 -0.042 0.000 2.217 499 L HA -0.081 4.136 4.340 -0.206 0.000 0.211 499 L C 2.477 179.327 176.870 -0.033 0.000 1.107 499 L CA 1.391 56.210 54.840 -0.035 0.000 0.783 499 L CB -0.265 41.768 42.059 -0.042 0.000 0.919 499 L HN 0.048 nan 8.230 nan 0.000 0.442 500 S N -0.533 115.142 115.700 -0.040 0.000 2.423 500 S HA -0.095 4.252 4.470 -0.206 0.000 0.231 500 S C 1.730 176.315 174.600 -0.024 0.000 1.014 500 S CA 0.768 58.948 58.200 -0.034 0.000 0.965 500 S CB -0.196 62.979 63.200 -0.042 0.000 0.785 500 S HN 0.380 nan 8.310 nan 0.000 0.495 501 K N 1.436 121.822 120.400 -0.022 0.000 2.439 501 K HA 0.087 4.284 4.320 -0.206 0.000 0.197 501 K C 1.347 177.940 176.600 -0.010 0.000 1.041 501 K CA 0.715 56.993 56.287 -0.015 0.000 0.970 501 K CB -0.059 32.433 32.500 -0.014 0.000 0.773 501 K HN 0.378 nan 8.250 nan 0.000 0.479 502 K N 0.144 120.538 120.400 -0.011 0.000 2.354 502 K HA 0.193 4.389 4.320 -0.206 0.000 0.194 502 K C 0.531 177.128 176.600 -0.006 0.000 1.045 502 K CA -0.025 56.258 56.287 -0.007 0.000 1.026 502 K CB 0.377 32.873 32.500 -0.006 0.000 0.866 502 K HN -0.021 nan 8.250 nan 0.000 0.530 503 L N 1.395 122.613 121.223 -0.008 0.000 2.350 503 L HA 0.102 4.319 4.340 -0.206 0.000 0.275 503 L C 1.629 178.496 176.870 -0.004 0.000 1.099 503 L CA -0.410 54.426 54.840 -0.006 0.000 0.808 503 L CB 1.484 43.538 42.059 -0.008 0.000 1.149 503 L HN 0.081 nan 8.230 nan 0.000 0.442 504 S N 0.658 116.357 115.700 -0.002 0.000 2.423 504 S HA -0.102 4.244 4.470 -0.206 0.000 0.231 504 S C 0.557 175.158 174.600 0.001 0.000 1.014 504 S CA 0.572 58.772 58.200 -0.000 0.000 0.965 504 S CB -0.290 62.911 63.200 0.001 0.000 0.785 504 S HN 0.702 nan 8.310 nan 0.000 0.495 505 E N 2.510 122.710 120.200 0.001 0.000 2.103 505 E HA 0.278 4.504 4.350 -0.206 0.000 0.254 505 E C -1.994 174.606 176.600 -0.001 0.000 0.940 505 E CA -2.481 53.920 56.400 0.003 0.000 0.771 505 E CB 1.287 30.992 29.700 0.009 0.000 1.153 505 E HN 0.260 nan 8.360 nan 0.000 0.428 506 P HA -0.264 nan 4.420 nan 0.000 0.216 506 P C 1.161 178.450 177.300 -0.017 0.000 1.157 506 P CA 1.424 64.516 63.100 -0.012 0.000 0.880 506 P CB 0.101 31.794 31.700 -0.012 0.000 0.791 507 S N -1.320 114.373 115.700 -0.011 0.000 2.710 507 S HA 0.072 4.418 4.470 -0.206 0.000 0.224 507 S C 1.547 176.144 174.600 -0.004 0.000 0.948 507 S CA 0.286 58.475 58.200 -0.018 0.000 0.949 507 S CB -1.216 61.977 63.200 -0.011 0.000 0.778 507 S HN 0.216 nan 8.310 nan 0.000 0.498 508 S N 0.905 116.606 115.700 0.003 0.000 2.481 508 S HA 0.112 4.459 4.470 -0.206 0.000 0.231 508 S C 1.237 175.844 174.600 0.012 0.000 0.996 508 S CA 0.126 58.338 58.200 0.020 0.000 0.942 508 S CB -0.555 62.654 63.200 0.015 0.000 0.768 508 S HN 0.438 nan 8.310 nan 0.000 0.520 509 L N 1.302 122.513 121.223 -0.020 0.000 2.599 509 L HA 0.303 4.519 4.340 -0.206 0.000 0.230 509 L C 2.487 179.323 176.870 -0.058 0.000 1.141 509 L CA 0.691 55.508 54.840 -0.039 0.000 0.877 509 L CB -0.833 41.187 42.059 -0.064 0.000 1.009 509 L HN 0.349 nan 8.230 nan 0.000 0.447 510 Q N -0.886 118.864 119.800 -0.085 0.000 2.084 510 Q HA -0.175 4.041 4.340 -0.206 0.000 0.202 510 Q C 1.037 176.821 176.000 -0.360 0.000 0.978 510 Q CA 1.873 57.528 55.803 -0.246 0.000 0.844 510 Q CB 0.013 28.545 28.738 -0.344 0.000 0.898 510 Q HN 0.568 nan 8.270 nan 0.000 0.426 511 Y N -0.847 119.448 120.300 -0.008 0.000 2.507 511 Y HA 0.201 4.628 4.550 -0.206 0.000 0.254 511 Y C -0.405 175.468 175.900 -0.044 0.000 1.171 511 Y CA -0.770 57.320 58.100 -0.018 0.000 1.238 511 Y CB 0.827 39.279 38.460 -0.014 0.000 1.148 511 Y HN 0.093 nan 8.280 nan 0.000 0.525 512 L N 4.865 126.113 121.223 0.041 0.000 2.325 512 L HA 0.365 4.582 4.340 -0.206 0.000 0.284 512 L C -2.369 174.449 176.870 -0.086 0.000 1.089 512 L CA -2.196 52.621 54.840 -0.038 0.000 0.836 512 L CB 0.081 42.116 42.059 -0.039 0.000 1.184 512 L HN -0.143 nan 8.230 nan 0.000 0.444 513 P HA 0.143 nan 4.420 nan 0.000 0.274 513 P C -0.969 176.126 177.300 -0.342 0.000 1.246 513 P CA 0.174 63.075 63.100 -0.332 0.000 0.795 513 P CB 0.854 32.204 31.700 -0.582 0.000 1.006 514 Y N -2.225 117.962 120.300 -0.188 0.000 2.537 514 Y HA 0.327 4.754 4.550 -0.206 0.000 0.302 514 Y C 0.479 176.626 175.900 0.411 0.000 0.959 514 Y CA -0.486 57.712 58.100 0.162 0.000 0.971 514 Y CB -0.111 38.417 38.460 0.112 0.000 1.416 514 Y HN -0.002 nan 8.280 nan 0.000 0.585 515 R N 2.642 122.855 120.500 -0.477 0.000 2.694 515 R HA 0.123 4.339 4.340 -0.206 0.000 0.268 515 R C -0.486 175.842 176.300 0.046 0.000 1.061 515 R CA 0.876 56.767 56.100 -0.348 0.000 1.133 515 R CB 0.041 30.113 30.300 -0.380 0.000 1.020 515 R HN 0.428 nan 8.270 nan 0.000 0.475 516 D N -0.413 120.013 120.400 0.044 0.000 3.041 516 D HA -0.243 4.273 4.640 -0.206 0.000 0.220 516 D C -0.976 175.350 176.300 0.043 0.000 1.157 516 D CA 1.257 55.284 54.000 0.044 0.000 0.876 516 D CB -1.548 39.270 40.800 0.029 0.000 1.107 516 D HN 0.435 nan 8.370 nan 0.000 0.422 517 Y N 1.116 121.351 120.300 -0.108 0.000 2.409 517 Y HA 0.366 4.792 4.550 -0.207 0.000 0.339 517 Y C 0.309 175.987 175.900 -0.371 0.000 1.033 517 Y CA -1.245 56.639 58.100 -0.361 0.000 1.094 517 Y CB 0.984 39.073 38.460 -0.618 0.000 1.210 517 Y HN -0.071 nan 8.280 nan 0.000 0.456 518 N N 5.019 123.108 118.700 -1.019 0.000 2.448 518 N HA 0.005 4.622 4.740 -0.206 0.000 0.250 518 N C -0.381 174.678 175.510 -0.751 0.000 1.136 518 N CA 0.078 52.715 53.050 -0.689 0.000 0.953 518 N CB 0.215 38.370 38.487 -0.553 0.000 1.251 518 N HN 0.790 nan 8.380 nan 0.000 0.502 519 Y N 1.184 121.363 120.300 -0.201 0.000 2.511 519 Y HA -0.075 4.352 4.550 -0.206 0.000 0.279 519 Y C 2.545 178.264 175.900 -0.301 0.000 1.157 519 Y CA 0.134 58.175 58.100 -0.098 0.000 1.300 519 Y CB 0.353 38.834 38.460 0.034 0.000 1.052 519 Y HN 0.619 nan 8.280 nan 0.000 0.529 520 S N 0.072 115.653 115.700 -0.199 0.000 2.382 520 S HA -0.191 4.155 4.470 -0.206 0.000 0.228 520 S C 1.651 176.162 174.600 -0.148 0.000 1.027 520 S CA 1.234 59.282 58.200 -0.253 0.000 0.991 520 S CB -0.740 62.417 63.200 -0.071 0.000 0.823 520 S HN 0.520 nan 8.310 nan 0.000 0.469 521 L N 0.710 121.863 121.223 -0.118 0.000 2.418 521 L HA 0.157 4.373 4.340 -0.206 0.000 0.218 521 L C 2.317 179.169 176.870 -0.030 0.000 1.125 521 L CA 0.141 54.938 54.840 -0.071 0.000 0.835 521 L CB -0.219 41.787 42.059 -0.088 0.000 0.953 521 L HN 0.224 nan 8.230 nan 0.000 0.454 522 V N -1.323 118.588 119.914 -0.005 0.000 2.426 522 V HA -0.004 3.992 4.120 -0.206 0.000 0.242 522 V C 1.355 177.485 176.094 0.060 0.000 1.036 522 V CA 0.644 62.986 62.300 0.070 0.000 1.044 522 V CB -0.164 31.777 31.823 0.196 0.000 0.688 522 V HN 0.225 nan 8.190 nan 0.000 0.462 523 M N 1.017 120.631 119.600 0.024 0.000 2.268 523 M HA 0.279 4.636 4.480 -0.206 0.000 0.349 523 M C 1.205 177.534 176.300 0.048 0.000 1.485 523 M CA 1.009 56.331 55.300 0.037 0.000 1.094 523 M CB -0.904 31.695 32.600 -0.001 0.000 1.843 523 M HN 0.484 nan 8.290 nan 0.000 0.460 524 G N 2.741 111.577 108.800 0.060 0.000 2.225 524 G HA2 -0.023 3.813 3.960 -0.206 0.000 0.264 524 G HA3 -0.023 3.813 3.960 -0.206 0.000 0.264 524 G C 0.381 175.304 174.900 0.040 0.000 1.060 524 G CA 0.603 45.735 45.100 0.053 0.000 0.833 524 G HN 1.077 nan 8.290 nan 0.000 0.498 525 A N -2.602 120.241 122.820 0.039 0.000 1.766 525 A HA 0.427 4.623 4.320 -0.206 0.000 0.172 525 A C 1.753 179.358 177.584 0.035 0.000 1.489 525 A CA 1.456 53.511 52.037 0.031 0.000 1.662 525 A CB -0.370 18.643 19.000 0.023 0.000 1.591 525 A HN 0.963 nan 8.150 nan 0.000 0.804 526 C N -0.505 118.822 119.300 0.045 0.000 2.820 526 C HA 0.601 4.937 4.460 -0.206 0.000 0.323 526 C C 0.766 175.792 174.990 0.060 0.000 1.279 526 C CA 0.132 59.179 59.018 0.050 0.000 1.790 526 C CB -0.414 27.361 27.740 0.057 0.000 2.328 526 C HN 0.680 nan 8.230 nan 0.000 0.579 527 C N 0.616 119.959 119.300 0.072 0.000 3.170 527 C HA 0.636 4.972 4.460 -0.206 0.000 0.319 527 C C -1.640 173.392 174.990 0.071 0.000 1.260 527 C CA -0.305 58.758 59.018 0.074 0.000 1.374 527 C CB 1.227 29.025 27.740 0.098 0.000 1.739 527 C HN 0.515 nan 8.230 nan 0.000 0.479 528 E N 1.406 121.641 120.200 0.058 0.000 2.339 528 E HA 0.526 4.752 4.350 -0.206 0.000 0.262 528 E C -0.388 176.236 176.600 0.041 0.000 0.934 528 E CA -0.413 56.017 56.400 0.050 0.000 0.802 528 E CB 0.585 30.310 29.700 0.041 0.000 1.275 528 E HN 0.599 nan 8.360 nan 0.000 0.427 529 N N -0.602 118.117 118.700 0.032 0.000 2.714 529 N HA -0.145 4.472 4.740 -0.206 0.000 0.252 529 N C -1.136 174.379 175.510 0.008 0.000 1.014 529 N CA 0.455 53.515 53.050 0.016 0.000 0.735 529 N CB -1.539 36.957 38.487 0.015 0.000 0.924 529 N HN 0.169 nan 8.380 nan 0.000 0.540 530 V N 1.378 121.298 119.914 0.009 0.000 2.470 530 V HA 0.097 4.093 4.120 -0.206 0.000 0.276 530 V C 1.854 177.922 176.094 -0.043 0.000 1.040 530 V CA -0.060 62.251 62.300 0.018 0.000 1.008 530 V CB 0.620 32.480 31.823 0.061 0.000 0.990 530 V HN 0.394 nan 8.190 nan 0.000 0.477 531 I N 1.937 122.495 120.570 -0.020 0.000 3.974 531 I HA 0.754 4.800 4.170 -0.206 0.000 0.334 531 I C 0.739 176.839 176.117 -0.028 0.000 1.437 531 I CA 0.327 61.585 61.300 -0.070 0.000 1.113 531 I CB 0.190 38.150 38.000 -0.066 0.000 1.063 531 I HN 0.708 nan 8.210 nan 0.000 0.400 532 G N 1.557 110.418 108.800 0.100 0.000 2.292 532 G HA2 0.146 3.982 3.960 -0.206 0.000 0.194 532 G HA3 0.146 3.982 3.960 -0.206 0.000 0.194 532 G C -1.662 173.371 174.900 0.221 0.000 1.329 532 G CA -0.213 45.011 45.100 0.207 0.000 1.100 532 G HN 0.519 nan 8.290 nan 0.000 0.470 533 Y N -2.535 117.768 120.300 0.005 0.000 2.624 533 Y HA 0.846 5.272 4.550 -0.206 0.000 0.334 533 Y C -0.835 175.021 175.900 -0.073 0.000 1.155 533 Y CA -1.741 56.279 58.100 -0.134 0.000 1.046 533 Y CB 1.700 39.889 38.460 -0.451 0.000 1.316 533 Y HN 0.825 nan 8.280 nan 0.000 0.457 534 M N 5.201 124.883 119.600 0.136 0.000 2.066 534 M HA 0.549 4.905 4.480 -0.206 0.000 0.340 534 M C -2.895 173.495 176.300 0.151 0.000 1.053 534 M CA -3.162 52.189 55.300 0.085 0.000 0.983 534 M CB 0.801 33.431 32.600 0.050 0.000 1.520 534 M HN 0.522 nan 8.290 nan 0.000 0.428 535 P HA 0.293 nan 4.420 nan 0.000 0.276 535 P C -1.192 176.155 177.300 0.078 0.000 1.243 535 P CA -0.151 63.037 63.100 0.147 0.000 0.768 535 P CB 0.405 32.203 31.700 0.164 0.000 0.856 536 I N 5.120 125.727 120.570 0.062 0.000 2.389 536 I HA 0.275 4.321 4.170 -0.206 0.000 0.288 536 I C -2.198 173.942 176.117 0.037 0.000 0.999 536 I CA -3.043 58.283 61.300 0.043 0.000 1.129 536 I CB 0.866 38.889 38.000 0.039 0.000 1.288 536 I HN 0.135 nan 8.210 nan 0.000 0.444 537 P HA 0.084 nan 4.420 nan 0.000 0.261 537 P C -0.367 176.948 177.300 0.025 0.000 1.183 537 P CA 0.066 63.182 63.100 0.027 0.000 0.761 537 P CB 0.513 32.226 31.700 0.022 0.000 0.785 538 V N 3.643 123.571 119.914 0.023 0.000 2.427 538 V HA 0.675 4.671 4.120 -0.206 0.000 0.286 538 V C 0.907 177.012 176.094 0.020 0.000 1.034 538 V CA -0.075 62.238 62.300 0.022 0.000 0.893 538 V CB 1.466 33.301 31.823 0.020 0.000 0.982 538 V HN 0.771 nan 8.190 nan 0.000 0.452 539 G N 2.923 111.735 108.800 0.020 0.000 2.735 539 G HA2 0.708 4.545 3.960 -0.206 0.000 0.301 539 G HA3 0.708 4.545 3.960 -0.206 0.000 0.301 539 G C -1.471 173.442 174.900 0.020 0.000 1.279 539 G CA -0.657 44.454 45.100 0.019 0.000 1.019 539 G HN 0.544 nan 8.290 nan 0.000 0.497 540 V N 0.086 120.013 119.914 0.020 0.000 2.577 540 V HA 0.672 4.668 4.120 -0.206 0.000 0.303 540 V C -0.063 176.046 176.094 0.025 0.000 1.042 540 V CA -0.760 61.554 62.300 0.024 0.000 0.872 540 V CB 1.445 33.283 31.823 0.025 0.000 0.998 540 V HN 1.140 nan 8.190 nan 0.000 0.423 541 A N 3.620 126.458 122.820 0.029 0.000 2.267 541 A HA 0.972 5.168 4.320 -0.206 0.000 0.315 541 A C 0.265 177.873 177.584 0.039 0.000 1.297 541 A CA 0.268 52.322 52.037 0.029 0.000 0.865 541 A CB 0.816 19.832 19.000 0.026 0.000 1.165 541 A HN 1.403 nan 8.150 nan 0.000 0.513 542 G N 2.039 110.861 108.800 0.036 0.000 2.430 542 G HA2 0.671 4.507 3.960 -0.206 0.000 0.300 542 G HA3 0.671 4.507 3.960 -0.206 0.000 0.300 542 G C -3.403 171.514 174.900 0.028 0.000 1.330 542 G CA -0.670 44.456 45.100 0.043 0.000 0.813 542 G HN 0.520 nan 8.290 nan 0.000 0.487 543 P HA 0.494 nan 4.420 nan 0.000 0.277 543 P C -1.018 176.312 177.300 0.049 0.000 1.240 543 P CA -0.428 62.691 63.100 0.032 0.000 0.798 543 P CB 2.017 33.718 31.700 0.002 0.000 0.979 544 L N 3.240 124.519 121.223 0.093 0.000 2.280 544 L HA 0.341 4.558 4.340 -0.206 0.000 0.287 544 L C -0.750 176.200 176.870 0.133 0.000 1.023 544 L CA -0.428 54.484 54.840 0.120 0.000 0.819 544 L CB 0.446 42.603 42.059 0.163 0.000 1.212 544 L HN 0.370 nan 8.230 nan 0.000 0.420 545 C N 6.106 125.453 119.300 0.079 0.000 2.322 545 C HA 0.582 4.918 4.460 -0.206 0.000 0.343 545 C C -0.124 174.926 174.990 0.099 0.000 1.190 545 C CA -0.573 58.478 59.018 0.056 0.000 1.704 545 C CB -0.771 26.983 27.740 0.024 0.000 2.293 545 C HN 0.665 nan 8.230 nan 0.000 0.523 546 L N 4.663 125.981 121.223 0.158 0.000 2.491 546 L HA 0.426 4.642 4.340 -0.206 0.000 0.267 546 L C -0.481 176.506 176.870 0.195 0.000 0.971 546 L CA 0.478 55.438 54.840 0.201 0.000 0.857 546 L CB 0.764 43.003 42.059 0.300 0.000 1.226 546 L HN 0.715 nan 8.230 nan 0.000 0.408 547 D N 4.240 124.706 120.400 0.111 0.000 2.699 547 D HA -0.230 4.286 4.640 -0.206 0.000 0.239 547 D C 0.160 176.493 176.300 0.056 0.000 1.136 547 D CA 1.272 55.322 54.000 0.084 0.000 0.668 547 D CB -0.552 40.307 40.800 0.099 0.000 1.060 547 D HN 0.962 nan 8.370 nan 0.000 0.429 548 E N -2.317 117.900 120.200 0.028 0.000 2.868 548 E HA -0.265 3.961 4.350 -0.206 0.000 0.278 548 E C 0.047 176.616 176.600 -0.051 0.000 1.009 548 E CA 1.132 57.529 56.400 -0.006 0.000 0.856 548 E CB -0.762 28.937 29.700 -0.001 0.000 1.428 548 E HN 0.541 nan 8.360 nan 0.000 0.423 549 K N -0.009 120.337 120.400 -0.090 0.000 2.466 549 K HA 0.584 4.781 4.320 -0.206 0.000 0.260 549 K C -0.626 175.749 176.600 -0.375 0.000 1.011 549 K CA -0.805 55.317 56.287 -0.276 0.000 0.871 549 K CB 1.955 34.198 32.500 -0.429 0.000 1.404 549 K HN -0.053 nan 8.250 nan 0.000 0.450 550 E N 0.820 120.697 120.200 -0.538 0.000 2.238 550 E HA 0.442 4.669 4.350 -0.206 0.000 0.267 550 E C -1.466 174.761 176.600 -0.622 0.000 0.887 550 E CA -0.633 55.526 56.400 -0.402 0.000 0.769 550 E CB 1.473 31.058 29.700 -0.192 0.000 1.187 550 E HN 0.263 nan 8.360 nan 0.000 0.416 551 F N 1.597 121.547 119.950 -0.000 0.000 2.539 551 F HA 0.231 4.634 4.527 -0.208 0.000 0.318 551 F C -0.090 175.710 175.800 0.000 0.000 1.135 551 F CA -1.092 56.908 58.000 -0.000 0.000 0.915 551 F CB 1.805 40.804 39.000 -0.000 0.000 1.176 551 F HN 0.105 nan 8.300 nan 0.000 0.440 552 Q N 3.648 123.556 119.800 0.181 0.000 2.349 552 Q HA 0.373 4.590 4.340 -0.206 0.000 0.254 552 Q C -0.639 175.425 176.000 0.107 0.000 0.980 552 Q CA -0.466 55.402 55.803 0.108 0.000 0.924 552 Q CB 2.091 30.868 28.738 0.065 0.000 1.209 552 Q HN 0.383 nan 8.270 nan 0.000 0.445 553 V N 5.897 125.860 119.914 0.081 0.000 2.370 553 V HA 0.301 4.297 4.120 -0.206 0.000 0.279 553 V C -2.027 174.088 176.094 0.036 0.000 1.029 553 V CA -1.740 60.591 62.300 0.051 0.000 0.870 553 V CB 1.312 33.156 31.823 0.035 0.000 0.984 553 V HN 0.574 nan 8.190 nan 0.000 0.451 554 P HA 0.423 nan 4.420 nan 0.000 0.286 554 P C -0.951 176.365 177.300 0.025 0.000 1.269 554 P CA -0.403 62.712 63.100 0.026 0.000 0.787 554 P CB 0.913 32.626 31.700 0.022 0.000 0.920 555 M N 2.579 122.193 119.600 0.025 0.000 2.035 555 M HA 0.416 4.772 4.480 -0.206 0.000 0.286 555 M C -0.213 176.102 176.300 0.025 0.000 0.907 555 M CA -0.663 54.651 55.300 0.025 0.000 0.935 555 M CB 2.126 34.738 32.600 0.020 0.000 1.557 555 M HN 0.274 nan 8.290 nan 0.000 0.426 556 A N 2.585 125.423 122.820 0.030 0.000 2.457 556 A HA 0.551 4.748 4.320 -0.206 0.000 0.298 556 A C 0.041 177.641 177.584 0.027 0.000 1.288 556 A CA 0.162 52.217 52.037 0.030 0.000 0.956 556 A CB 0.026 19.047 19.000 0.035 0.000 1.135 556 A HN 0.712 nan 8.150 nan 0.000 0.535 557 T N 0.447 115.015 114.554 0.023 0.000 2.883 557 T HA 0.536 4.762 4.350 -0.206 0.000 0.301 557 T C 0.743 175.453 174.700 0.018 0.000 1.158 557 T CA 0.298 62.410 62.100 0.020 0.000 1.007 557 T CB 1.414 70.293 68.868 0.019 0.000 1.186 557 T HN 0.778 nan 8.240 nan 0.000 0.499 558 T N -0.423 114.140 114.554 0.015 0.000 3.129 558 T HA 0.382 4.609 4.350 -0.206 0.000 0.267 558 T C 0.310 175.014 174.700 0.008 0.000 1.018 558 T CA -0.323 61.784 62.100 0.011 0.000 0.903 558 T CB 0.018 68.892 68.868 0.010 0.000 1.067 558 T HN 0.543 nan 8.240 nan 0.000 0.549 559 E N 1.366 121.571 120.200 0.009 0.000 2.174 559 E HA 0.506 4.732 4.350 -0.206 0.000 0.282 559 E C 0.375 176.977 176.600 0.004 0.000 0.992 559 E CA -0.744 55.660 56.400 0.006 0.000 0.803 559 E CB 0.891 30.596 29.700 0.009 0.000 1.090 559 E HN 0.496 nan 8.360 nan 0.000 0.396 560 G N 2.142 110.941 108.800 -0.002 0.000 2.441 560 G HA2 0.121 3.957 3.960 -0.206 0.000 0.243 560 G HA3 0.121 3.957 3.960 -0.206 0.000 0.243 560 G C 0.526 175.419 174.900 -0.011 0.000 1.281 560 G CA -0.012 45.085 45.100 -0.005 0.000 0.854 560 G HN 0.926 nan 8.290 nan 0.000 0.560 561 C N 0.737 120.031 119.300 -0.010 0.000 5.688 561 C HA -0.195 4.141 4.460 -0.206 0.000 0.291 561 C C 2.326 177.310 174.990 -0.010 0.000 2.111 561 C CA 0.625 59.632 59.018 -0.018 0.000 1.870 561 C CB -1.924 25.793 27.740 -0.039 0.000 2.828 561 C HN 0.816 nan 8.230 nan 0.000 0.449 562 L N 1.440 122.667 121.223 0.006 0.000 2.083 562 L HA -0.004 4.213 4.340 -0.206 0.000 0.209 562 L C 2.169 179.062 176.870 0.039 0.000 1.083 562 L CA 2.520 57.381 54.840 0.035 0.000 0.752 562 L CB -0.434 41.654 42.059 0.048 0.000 0.899 562 L HN 0.375 nan 8.230 nan 0.000 0.433 563 V N -0.426 119.502 119.914 0.023 0.000 2.535 563 V HA -0.074 3.922 4.120 -0.206 0.000 0.246 563 V C 2.705 178.809 176.094 0.017 0.000 1.045 563 V CA 1.193 63.505 62.300 0.021 0.000 1.058 563 V CB -1.017 30.817 31.823 0.018 0.000 0.689 563 V HN 0.537 nan 8.190 nan 0.000 0.461 564 A N -0.618 122.208 122.820 0.010 0.000 1.969 564 A HA -0.194 4.002 4.320 -0.206 0.000 0.218 564 A C 2.528 180.113 177.584 0.001 0.000 1.169 564 A CA 2.098 54.137 52.037 0.004 0.000 0.635 564 A CB -0.578 18.420 19.000 -0.003 0.000 0.810 564 A HN 0.456 nan 8.150 nan 0.000 0.445 565 S N -0.934 114.766 115.700 0.000 0.000 2.357 565 S HA -0.117 4.230 4.470 -0.206 0.000 0.221 565 S C 2.076 176.691 174.600 0.024 0.000 1.031 565 S CA 2.021 60.219 58.200 -0.003 0.000 0.982 565 S CB -0.569 62.621 63.200 -0.016 0.000 0.853 565 S HN 0.597 nan 8.310 nan 0.000 0.458 566 T N 2.234 116.814 114.554 0.043 0.000 2.759 566 T HA -0.099 4.128 4.350 -0.206 0.000 0.269 566 T C 1.761 176.476 174.700 0.025 0.000 1.042 566 T CA 1.584 63.708 62.100 0.040 0.000 1.140 566 T CB -0.666 68.221 68.868 0.032 0.000 0.864 566 T HN 0.466 nan 8.240 nan 0.000 0.455 567 N N 1.152 119.865 118.700 0.021 0.000 2.188 567 N HA -0.067 4.550 4.740 -0.206 0.000 0.184 567 N C 1.891 177.411 175.510 0.015 0.000 1.018 567 N CA 1.123 54.184 53.050 0.019 0.000 0.858 567 N CB -0.226 38.270 38.487 0.016 0.000 0.989 567 N HN 0.336 nan 8.380 nan 0.000 0.426 568 R N -0.439 120.068 120.500 0.011 0.000 2.092 568 R HA -0.030 4.187 4.340 -0.206 0.000 0.231 568 R C 2.066 178.372 176.300 0.010 0.000 1.119 568 R CA 1.443 57.547 56.100 0.008 0.000 0.970 568 R CB -0.677 29.623 30.300 -0.000 0.000 0.864 568 R HN 0.308 nan 8.270 nan 0.000 0.440 569 G N 0.264 109.072 108.800 0.014 0.000 2.442 569 G HA2 -0.286 3.550 3.960 -0.206 0.000 0.219 569 G HA3 -0.286 3.550 3.960 -0.206 0.000 0.219 569 G C 1.486 176.394 174.900 0.014 0.000 1.141 569 G CA 1.027 46.136 45.100 0.015 0.000 0.763 569 G HN 0.436 nan 8.290 nan 0.000 0.554 570 C N -0.072 119.239 119.300 0.018 0.000 2.440 570 C HA 0.101 4.438 4.460 -0.206 0.000 0.278 570 C C 2.807 177.808 174.990 0.019 0.000 1.295 570 C CA 0.797 59.829 59.018 0.023 0.000 1.738 570 C CB -0.635 27.123 27.740 0.030 0.000 1.987 570 C HN 0.533 nan 8.230 nan 0.000 0.492 571 R N 2.216 122.725 120.500 0.016 0.000 2.081 571 R HA -0.040 4.176 4.340 -0.206 0.000 0.235 571 R C 2.059 178.366 176.300 0.012 0.000 1.131 571 R CA 2.187 58.295 56.100 0.013 0.000 0.960 571 R CB -0.769 29.538 30.300 0.011 0.000 0.856 571 R HN 0.403 nan 8.270 nan 0.000 0.436 572 A N 0.407 123.234 122.820 0.011 0.000 1.898 572 A HA -0.042 4.154 4.320 -0.206 0.000 0.216 572 A C 2.335 179.925 177.584 0.010 0.000 1.181 572 A CA 1.550 53.593 52.037 0.011 0.000 0.620 572 A CB -0.547 18.459 19.000 0.009 0.000 0.819 572 A HN 0.374 nan 8.150 nan 0.000 0.442 573 I N -0.273 120.303 120.570 0.010 0.000 2.226 573 I HA -0.195 3.851 4.170 -0.206 0.000 0.245 573 I C 2.696 178.822 176.117 0.015 0.000 1.100 573 I CA 1.073 62.379 61.300 0.010 0.000 1.374 573 I CB -0.529 37.478 38.000 0.011 0.000 1.057 573 I HN 0.402 nan 8.210 nan 0.000 0.413 574 G N 0.960 109.769 108.800 0.016 0.000 2.446 574 G HA2 -0.225 3.611 3.960 -0.206 0.000 0.217 574 G HA3 -0.225 3.611 3.960 -0.206 0.000 0.217 574 G C 1.625 176.531 174.900 0.011 0.000 1.168 574 G CA 0.597 45.706 45.100 0.013 0.000 0.771 574 G HN 0.310 nan 8.290 nan 0.000 0.551 575 L N 0.902 122.131 121.223 0.011 0.000 2.551 575 L HA 0.138 4.355 4.340 -0.206 0.000 0.228 575 L C 2.365 179.243 176.870 0.013 0.000 1.153 575 L CA 0.398 55.244 54.840 0.011 0.000 0.851 575 L CB 0.080 42.146 42.059 0.010 0.000 0.959 575 L HN 0.306 nan 8.230 nan 0.000 0.451 576 G N -1.337 107.472 108.800 0.015 0.000 3.609 576 G HA2 0.358 4.194 3.960 -0.206 0.000 0.280 576 G HA3 0.358 4.194 3.960 -0.206 0.000 0.280 576 G C 1.129 176.041 174.900 0.020 0.000 1.155 576 G CA 0.272 45.383 45.100 0.018 0.000 0.876 576 G HN 0.351 nan 8.290 nan 0.000 0.535 577 G N -0.899 107.911 108.800 0.017 0.000 2.153 577 G HA2 0.236 4.072 3.960 -0.206 0.000 0.252 577 G HA3 0.236 4.072 3.960 -0.206 0.000 0.252 577 G C 1.031 175.943 174.900 0.019 0.000 0.994 577 G CA 0.646 45.756 45.100 0.017 0.000 0.698 577 G HN 2.152 nan 8.290 nan 0.000 0.521 578 G N -1.605 107.207 108.800 0.020 0.000 2.757 578 G HA2 0.477 4.313 3.960 -0.206 0.000 0.638 578 G HA3 0.477 4.313 3.960 -0.206 0.000 0.638 578 G C 0.030 174.946 174.900 0.028 0.000 1.344 578 G CA 0.736 45.851 45.100 0.025 0.000 0.855 578 G HN 2.305 nan 8.290 nan 0.000 0.537 579 A N -0.512 122.329 122.820 0.035 0.000 2.355 579 A HA 0.965 5.161 4.320 -0.206 0.000 0.324 579 A C 0.219 177.827 177.584 0.040 0.000 1.117 579 A CA 0.572 52.626 52.037 0.029 0.000 0.785 579 A CB 1.712 20.724 19.000 0.020 0.000 1.254 579 A HN 1.970 nan 8.150 nan 0.000 0.453 580 S N 0.373 116.094 115.700 0.035 0.000 2.568 580 S HA 0.861 5.208 4.470 -0.206 0.000 0.302 580 S C -0.269 174.349 174.600 0.030 0.000 1.082 580 S CA -0.284 57.940 58.200 0.039 0.000 1.009 580 S CB 1.575 64.801 63.200 0.044 0.000 1.069 580 S HN 1.581 nan 8.310 nan 0.000 0.500 581 S N 1.474 117.191 115.700 0.029 0.000 2.550 581 S HA 0.764 5.111 4.470 -0.206 0.000 0.270 581 S C -1.735 172.873 174.600 0.013 0.000 1.145 581 S CA -1.131 57.078 58.200 0.016 0.000 0.852 581 S CB 1.507 64.710 63.200 0.006 0.000 1.119 581 S HN 0.542 nan 8.310 nan 0.000 0.465 582 R N 1.087 121.589 120.500 0.004 0.000 2.621 582 R HA 0.489 4.705 4.340 -0.206 0.000 0.284 582 R C -1.399 174.895 176.300 -0.010 0.000 0.998 582 R CA -0.752 55.348 56.100 0.000 0.000 0.895 582 R CB 1.941 32.242 30.300 0.001 0.000 1.195 582 R HN 0.639 nan 8.270 nan 0.000 0.450 583 V N 5.321 125.229 119.914 -0.011 0.000 2.415 583 V HA 0.074 4.070 4.120 -0.206 0.000 0.267 583 V C 1.845 177.928 176.094 -0.019 0.000 1.042 583 V CA 0.115 62.405 62.300 -0.017 0.000 1.000 583 V CB 0.477 32.291 31.823 -0.015 0.000 1.015 583 V HN 0.639 nan 8.190 nan 0.000 0.478 584 L N 4.034 125.240 121.223 -0.028 0.000 2.179 584 L HA 0.283 4.499 4.340 -0.206 0.000 0.208 584 L C 1.032 177.881 176.870 -0.035 0.000 1.096 584 L CA 1.227 56.047 54.840 -0.035 0.000 0.779 584 L CB -0.152 41.877 42.059 -0.051 0.000 0.922 584 L HN 0.769 nan 8.230 nan 0.000 0.443 585 A N -0.984 121.815 122.820 -0.034 0.000 2.610 585 A HA 0.590 4.787 4.320 -0.206 0.000 0.291 585 A C -1.886 175.686 177.584 -0.020 0.000 1.086 585 A CA -0.432 51.588 52.037 -0.028 0.000 0.677 585 A CB 1.786 20.763 19.000 -0.040 0.000 1.278 585 A HN -0.020 nan 8.150 nan 0.000 0.414 586 D N -0.678 119.716 120.400 -0.010 0.000 2.613 586 D HA 0.547 5.063 4.640 -0.206 0.000 0.230 586 D C -0.578 175.728 176.300 0.010 0.000 1.365 586 D CA 0.868 54.866 54.000 -0.003 0.000 0.976 586 D CB 1.471 42.269 40.800 -0.003 0.000 1.415 586 D HN 1.441 nan 8.370 nan 0.000 0.589 587 G N 2.711 111.520 108.800 0.015 0.000 2.020 587 G HA2 0.369 4.205 3.960 -0.206 0.000 0.304 587 G HA3 0.369 4.205 3.960 -0.206 0.000 0.304 587 G C -0.760 174.165 174.900 0.042 0.000 1.500 587 G CA -0.933 44.188 45.100 0.035 0.000 1.120 587 G HN 0.370 nan 8.290 nan 0.000 0.555 588 M N 2.724 122.360 119.600 0.060 0.000 2.249 588 M HA 0.558 4.914 4.480 -0.206 0.000 0.340 588 M C 0.904 177.265 176.300 0.102 0.000 1.166 588 M CA -0.059 55.284 55.300 0.072 0.000 1.115 588 M CB 0.462 33.109 32.600 0.077 0.000 1.606 588 M HN 0.776 nan 8.290 nan 0.000 0.448 589 T N 2.276 116.888 114.554 0.095 0.000 2.926 589 T HA 0.915 5.141 4.350 -0.206 0.000 0.289 589 T C -0.805 173.991 174.700 0.160 0.000 1.054 589 T CA -1.014 61.160 62.100 0.124 0.000 1.015 589 T CB 1.760 70.662 68.868 0.058 0.000 1.167 589 T HN 0.732 nan 8.240 nan 0.000 0.526 590 R N -0.764 119.874 120.500 0.231 0.000 2.604 590 R HA 0.667 4.884 4.340 -0.206 0.000 0.270 590 R C -0.544 175.962 176.300 0.343 0.000 1.052 590 R CA -0.364 55.890 56.100 0.257 0.000 0.902 590 R CB 1.828 32.285 30.300 0.261 0.000 1.233 590 R HN 1.145 nan 8.270 nan 0.000 0.455 591 G N 4.340 113.331 108.800 0.317 0.000 4.876 591 G HA2 0.312 4.148 3.960 -0.206 0.000 0.304 591 G HA3 0.312 4.148 3.960 -0.206 0.000 0.304 591 G C -2.512 172.633 174.900 0.407 0.000 1.396 591 G CA -1.118 44.225 45.100 0.405 0.000 0.978 591 G HN 0.427 nan 8.290 nan 0.000 0.565 592 P HA 0.098 nan 4.420 nan 0.000 0.268 592 P C -0.052 177.374 177.300 0.209 0.000 1.208 592 P CA 0.031 63.297 63.100 0.277 0.000 0.777 592 P CB 2.194 34.066 31.700 0.286 0.000 0.875 593 V N 3.840 123.806 119.914 0.086 0.000 2.417 593 V HA 0.447 4.443 4.120 -0.206 0.000 0.291 593 V C -0.147 175.867 176.094 -0.133 0.000 1.024 593 V CA -0.667 61.525 62.300 -0.180 0.000 0.861 593 V CB 1.449 33.123 31.823 -0.249 0.000 0.985 593 V HN 0.450 nan 8.190 nan 0.000 0.436 594 V N 5.037 124.838 119.914 -0.189 0.000 2.960 594 V HA 0.787 4.783 4.120 -0.206 0.000 0.315 594 V C -0.581 175.419 176.094 -0.156 0.000 1.087 594 V CA -1.050 61.188 62.300 -0.104 0.000 0.982 594 V CB 2.137 33.941 31.823 -0.031 0.000 1.039 594 V HN 0.923 nan 8.190 nan 0.000 0.437 595 R N 2.118 122.560 120.500 -0.096 0.000 2.686 595 R HA 0.800 5.017 4.340 -0.206 0.000 0.286 595 R C -1.675 174.579 176.300 -0.077 0.000 0.969 595 R CA -0.689 55.353 56.100 -0.095 0.000 0.898 595 R CB 2.131 32.390 30.300 -0.068 0.000 1.183 595 R HN 0.654 nan 8.270 nan 0.000 0.456 596 L N 2.569 123.738 121.223 -0.091 0.000 2.319 596 L HA 0.449 4.665 4.340 -0.206 0.000 0.267 596 L C -1.652 175.182 176.870 -0.059 0.000 1.011 596 L CA -2.068 52.722 54.840 -0.084 0.000 0.818 596 L CB 1.808 43.790 42.059 -0.128 0.000 1.316 596 L HN 0.348 nan 8.230 nan 0.000 0.432 597 P HA -0.143 nan 4.420 nan 0.000 0.218 597 P C -0.167 177.114 177.300 -0.031 0.000 1.154 597 P CA 1.510 64.592 63.100 -0.030 0.000 0.872 597 P CB 0.207 31.893 31.700 -0.023 0.000 0.790 598 R N -3.172 117.305 120.500 -0.038 0.000 2.888 598 R HA 0.558 4.775 4.340 -0.206 0.000 0.264 598 R C 0.947 177.220 176.300 -0.045 0.000 1.045 598 R CA -0.328 55.752 56.100 -0.033 0.000 0.962 598 R CB 0.970 31.255 30.300 -0.024 0.000 1.210 598 R HN -0.144 nan 8.270 nan 0.000 0.479 599 A N 0.245 123.044 122.820 -0.036 0.000 2.015 599 A HA -0.103 4.093 4.320 -0.206 0.000 0.219 599 A C 1.831 179.391 177.584 -0.041 0.000 1.163 599 A CA 1.335 53.349 52.037 -0.039 0.000 0.646 599 A CB -0.544 18.442 19.000 -0.024 0.000 0.806 599 A HN 0.710 nan 8.150 nan 0.000 0.448 600 C N -0.343 118.938 119.300 -0.032 0.000 2.450 600 C HA -0.052 4.284 4.460 -0.206 0.000 0.279 600 C C 2.241 177.206 174.990 -0.041 0.000 1.335 600 C CA 0.852 59.854 59.018 -0.027 0.000 1.749 600 C CB -0.951 26.781 27.740 -0.014 0.000 1.963 600 C HN 0.593 nan 8.230 nan 0.000 0.501 601 D N 1.101 121.467 120.400 -0.057 0.000 2.117 601 D HA -0.093 4.423 4.640 -0.206 0.000 0.198 601 D C 2.322 178.521 176.300 -0.168 0.000 0.982 601 D CA 1.909 55.855 54.000 -0.090 0.000 0.828 601 D CB -0.501 40.251 40.800 -0.081 0.000 0.967 601 D HN 0.609 nan 8.370 nan 0.000 0.464 602 S N 0.654 116.265 115.700 -0.148 0.000 2.428 602 S HA 0.050 4.396 4.470 -0.206 0.000 0.230 602 S C 2.126 176.642 174.600 -0.139 0.000 1.014 602 S CA 0.853 58.947 58.200 -0.177 0.000 0.957 602 S CB -0.016 63.102 63.200 -0.137 0.000 0.784 602 S HN 0.199 nan 8.310 nan 0.000 0.499 603 A N 1.752 124.518 122.820 -0.090 0.000 1.930 603 A HA -0.046 4.151 4.320 -0.206 0.000 0.217 603 A C 2.190 179.748 177.584 -0.043 0.000 1.175 603 A CA 1.433 53.438 52.037 -0.053 0.000 0.627 603 A CB -0.761 18.221 19.000 -0.030 0.000 0.815 603 A HN 0.648 nan 8.150 nan 0.000 0.443 604 E N -0.130 120.035 120.200 -0.058 0.000 2.110 604 E HA -0.120 4.107 4.350 -0.206 0.000 0.193 604 E C 1.826 178.407 176.600 -0.032 0.000 0.988 604 E CA 1.354 57.749 56.400 -0.009 0.000 0.804 604 E CB -0.044 29.660 29.700 0.006 0.000 0.745 604 E HN 0.379 nan 8.360 nan 0.000 0.458 605 V N 1.347 121.089 119.914 -0.287 0.000 2.453 605 V HA -0.195 3.802 4.120 -0.206 0.000 0.247 605 V C 2.456 178.549 176.094 -0.002 0.000 1.048 605 V CA 1.593 63.647 62.300 -0.410 0.000 1.049 605 V CB -0.421 30.973 31.823 -0.717 0.000 0.672 605 V HN 0.207 nan 8.190 nan 0.000 0.457 606 K N 0.495 120.879 120.400 -0.026 0.000 2.026 606 K HA -0.160 4.036 4.320 -0.206 0.000 0.208 606 K C 2.233 178.868 176.600 0.059 0.000 1.048 606 K CA 1.566 57.861 56.287 0.014 0.000 0.929 606 K CB -0.288 32.198 32.500 -0.024 0.000 0.713 606 K HN 0.418 nan 8.250 nan 0.000 0.439 607 A N 0.421 123.285 122.820 0.073 0.000 1.933 607 A HA -0.200 3.996 4.320 -0.206 0.000 0.218 607 A C 1.899 179.566 177.584 0.137 0.000 1.175 607 A CA 1.425 53.511 52.037 0.082 0.000 0.628 607 A CB -1.024 18.027 19.000 0.085 0.000 0.814 607 A HN 0.700 nan 8.150 nan 0.000 0.444 608 W N 0.512 121.840 121.300 0.047 0.000 2.358 608 W HA -0.123 4.413 4.660 -0.206 0.000 0.303 608 W C 1.630 178.182 176.519 0.054 0.000 1.208 608 W CA 1.836 59.235 57.345 0.089 0.000 1.274 608 W CB -0.219 29.387 29.460 0.244 0.000 1.138 608 W HN 0.250 nan 8.180 nan 0.000 0.515 609 L N 0.142 121.490 121.223 0.209 0.000 2.291 609 L HA -0.102 4.114 4.340 -0.206 0.000 0.214 609 L C 2.040 178.885 176.870 -0.041 0.000 1.120 609 L CA 1.251 56.126 54.840 0.058 0.000 0.799 609 L CB -0.584 41.577 42.059 0.170 0.000 0.925 609 L HN -0.030 nan 8.230 nan 0.000 0.446 610 E N -0.689 119.480 120.200 -0.051 0.000 2.442 610 E HA -0.034 4.193 4.350 -0.206 0.000 0.195 610 E C 0.774 177.304 176.600 -0.117 0.000 1.030 610 E CA 0.246 56.594 56.400 -0.085 0.000 0.869 610 E CB 0.310 29.971 29.700 -0.064 0.000 0.857 610 E HN 0.439 nan 8.360 nan 0.000 0.505 611 T N -1.507 112.958 114.554 -0.148 0.000 2.868 611 T HA 0.060 4.286 4.350 -0.206 0.000 0.292 611 T C 1.429 176.031 174.700 -0.164 0.000 1.028 611 T CA -0.071 61.934 62.100 -0.159 0.000 1.059 611 T CB 1.687 70.441 68.868 -0.191 0.000 0.991 611 T HN 0.006 nan 8.240 nan 0.000 0.531 612 S N 0.897 116.527 115.700 -0.116 0.000 2.402 612 S HA -0.142 4.204 4.470 -0.206 0.000 0.229 612 S C 1.602 176.169 174.600 -0.055 0.000 1.021 612 S CA 0.677 58.840 58.200 -0.061 0.000 0.974 612 S CB -0.460 62.712 63.200 -0.046 0.000 0.800 612 S HN 0.839 nan 8.310 nan 0.000 0.484 613 E N 1.645 121.763 120.200 -0.136 0.000 2.170 613 E HA 0.086 4.313 4.350 -0.206 0.000 0.191 613 E C 2.206 178.616 176.600 -0.316 0.000 0.981 613 E CA 0.974 57.286 56.400 -0.146 0.000 0.830 613 E CB -1.255 28.387 29.700 -0.096 0.000 0.775 613 E HN 0.596 nan 8.360 nan 0.000 0.470 614 G N 1.215 109.629 108.800 -0.642 0.000 2.404 614 G HA2 -0.274 3.562 3.960 -0.206 0.000 0.215 614 G HA3 -0.274 3.562 3.960 -0.206 0.000 0.215 614 G C 1.381 175.870 174.900 -0.686 0.000 1.174 614 G CA 0.619 44.915 45.100 -1.340 0.000 0.780 614 G HN 0.286 nan 8.290 nan 0.000 0.537 615 F N 2.419 122.096 119.950 -0.456 0.000 2.269 615 F HA 0.126 4.529 4.527 -0.206 0.000 0.301 615 F C 2.634 178.359 175.800 -0.124 0.000 1.082 615 F CA 1.067 58.935 58.000 -0.220 0.000 1.360 615 F CB 0.042 38.942 39.000 -0.167 0.000 1.041 615 F HN 0.221 nan 8.300 nan 0.000 0.512 616 A N 0.019 122.778 122.820 -0.102 0.000 1.897 616 A HA -0.085 4.112 4.320 -0.206 0.000 0.215 616 A C 2.261 179.780 177.584 -0.109 0.000 1.181 616 A CA 1.812 53.794 52.037 -0.092 0.000 0.620 616 A CB -1.473 17.523 19.000 -0.007 0.000 0.821 616 A HN 0.421 nan 8.150 nan 0.000 0.443 617 V N -2.338 117.530 119.914 -0.077 0.000 2.667 617 V HA -0.086 3.911 4.120 -0.206 0.000 0.252 617 V C 1.994 178.120 176.094 0.053 0.000 1.065 617 V CA 1.340 63.664 62.300 0.040 0.000 1.083 617 V CB -0.727 31.200 31.823 0.173 0.000 0.692 617 V HN 0.368 nan 8.190 nan 0.000 0.468 618 I N 0.836 121.391 120.570 -0.024 0.000 2.353 618 I HA -0.079 3.967 4.170 -0.206 0.000 0.248 618 I C 2.524 178.613 176.117 -0.048 0.000 1.119 618 I CA 1.884 63.209 61.300 0.041 0.000 1.417 618 I CB -1.074 36.971 38.000 0.074 0.000 1.078 618 I HN 0.434 nan 8.210 nan 0.000 0.421 619 K N 1.161 121.382 120.400 -0.298 0.000 2.148 619 K HA -0.211 3.985 4.320 -0.206 0.000 0.204 619 K C 2.028 178.607 176.600 -0.034 0.000 1.050 619 K CA 1.262 57.384 56.287 -0.275 0.000 0.942 619 K CB 0.100 32.291 32.500 -0.515 0.000 0.724 619 K HN 0.245 nan 8.250 nan 0.000 0.446 620 E N -0.170 120.019 120.200 -0.018 0.000 2.072 620 E HA -0.154 4.073 4.350 -0.206 0.000 0.191 620 E C 1.669 178.305 176.600 0.060 0.000 0.985 620 E CA 1.061 57.480 56.400 0.030 0.000 0.801 620 E CB -0.072 29.650 29.700 0.037 0.000 0.750 620 E HN 0.414 nan 8.360 nan 0.000 0.452 621 A N 0.051 122.921 122.820 0.084 0.000 1.968 621 A HA -0.088 4.109 4.320 -0.206 0.000 0.217 621 A C 1.934 179.564 177.584 0.077 0.000 1.169 621 A CA 0.786 52.873 52.037 0.082 0.000 0.638 621 A CB -0.670 18.395 19.000 0.109 0.000 0.812 621 A HN 0.469 nan 8.150 nan 0.000 0.446 622 F N 1.054 120.986 119.950 -0.030 0.000 2.128 622 F HA -0.126 4.278 4.527 -0.206 0.000 0.295 622 F C 1.573 177.360 175.800 -0.022 0.000 1.100 622 F CA 1.941 59.918 58.000 -0.039 0.000 1.260 622 F CB 0.004 38.990 39.000 -0.023 0.000 1.009 622 F HN 0.214 nan 8.300 nan 0.000 0.476 623 D N -0.436 120.094 120.400 0.217 0.000 2.264 623 D HA -0.131 4.386 4.640 -0.206 0.000 0.208 623 D C 2.445 178.756 176.300 0.019 0.000 0.966 623 D CA 1.290 55.366 54.000 0.127 0.000 0.864 623 D CB -0.474 40.393 40.800 0.111 0.000 0.933 623 D HN 0.366 nan 8.370 nan 0.000 0.499 624 S N -0.324 115.374 115.700 -0.003 0.000 2.423 624 S HA -0.145 4.201 4.470 -0.206 0.000 0.231 624 S C 1.982 176.545 174.600 -0.062 0.000 1.014 624 S CA 1.502 59.686 58.200 -0.027 0.000 0.965 624 S CB -0.786 62.405 63.200 -0.016 0.000 0.785 624 S HN 0.339 nan 8.310 nan 0.000 0.495 625 T N -2.050 112.441 114.554 -0.106 0.000 3.085 625 T HA 0.311 4.537 4.350 -0.206 0.000 0.263 625 T C 0.670 175.302 174.700 -0.112 0.000 1.127 625 T CA 0.469 62.493 62.100 -0.127 0.000 1.103 625 T CB -0.144 68.605 68.868 -0.199 0.000 0.921 625 T HN 0.343 nan 8.240 nan 0.000 0.510 626 S N -0.989 114.649 115.700 -0.103 0.000 2.587 626 S HA 0.456 4.803 4.470 -0.206 0.000 0.269 626 S C 0.367 174.894 174.600 -0.122 0.000 1.154 626 S CA -0.984 57.159 58.200 -0.095 0.000 0.824 626 S CB 1.466 64.633 63.200 -0.055 0.000 1.118 626 S HN 0.281 nan 8.310 nan 0.000 0.462 627 R N 0.861 121.212 120.500 -0.249 0.000 2.070 627 R HA 0.018 4.235 4.340 -0.206 0.000 0.233 627 R C 1.162 177.261 176.300 -0.334 0.000 1.137 627 R CA 1.988 57.838 56.100 -0.416 0.000 0.945 627 R CB -0.409 29.390 30.300 -0.835 0.000 0.845 627 R HN 0.613 nan 8.270 nan 0.000 0.430 628 F N 0.974 120.937 119.950 0.022 0.000 2.797 628 F HA 0.286 4.691 4.527 -0.204 0.000 0.302 628 F C 0.961 176.807 175.800 0.077 0.000 1.130 628 F CA -0.451 57.574 58.000 0.042 0.000 1.387 628 F CB 0.191 39.211 39.000 0.034 0.000 1.107 628 F HN -0.016 nan 8.300 nan 0.000 0.577 629 A N 1.903 124.841 122.820 0.197 0.000 2.545 629 A HA 0.306 4.503 4.320 -0.206 0.000 0.297 629 A C 0.203 177.963 177.584 0.293 0.000 1.340 629 A CA -0.149 52.035 52.037 0.244 0.000 1.016 629 A CB -0.335 18.699 19.000 0.058 0.000 1.122 629 A HN 0.087 nan 8.150 nan 0.000 0.537 630 R N 2.529 123.205 120.500 0.294 0.000 2.371 630 R HA 0.265 4.482 4.340 -0.206 0.000 0.312 630 R C -1.168 175.224 176.300 0.154 0.000 0.980 630 R CA -0.811 55.413 56.100 0.207 0.000 0.867 630 R CB 1.163 31.553 30.300 0.151 0.000 1.163 630 R HN 0.638 nan 8.270 nan 0.000 0.492 631 L N 3.379 124.640 121.223 0.063 0.000 2.360 631 L HA 0.139 4.355 4.340 -0.206 0.000 0.276 631 L C 0.361 177.276 176.870 0.075 0.000 1.121 631 L CA 0.585 55.327 54.840 -0.164 0.000 0.845 631 L CB 0.629 42.417 42.059 -0.451 0.000 1.143 631 L HN 0.482 nan 8.230 nan 0.000 0.452 632 Q N 3.732 123.583 119.800 0.085 0.000 2.173 632 Q HA 0.328 4.544 4.340 -0.206 0.000 0.186 632 Q C -0.431 175.683 176.000 0.190 0.000 1.018 632 Q CA -0.941 54.945 55.803 0.138 0.000 1.064 632 Q CB 0.412 29.180 28.738 0.052 0.000 1.130 632 Q HN 0.538 nan 8.270 nan 0.000 0.553 633 K N 0.858 121.252 120.400 -0.011 0.000 2.511 633 K HA 0.002 4.199 4.320 -0.206 0.000 0.280 633 K C -0.736 175.852 176.600 -0.021 0.000 1.008 633 K CA 0.313 56.501 56.287 -0.165 0.000 1.050 633 K CB -0.064 32.331 32.500 -0.176 0.000 0.889 633 K HN 0.382 nan 8.250 nan 0.000 0.484 634 L N 2.704 123.925 121.223 -0.003 0.000 2.395 634 L HA 0.166 4.383 4.340 -0.206 0.000 0.269 634 L C 0.626 177.498 176.870 0.003 0.000 1.133 634 L CA -0.379 54.461 54.840 0.000 0.000 0.812 634 L CB 0.545 42.606 42.059 0.003 0.000 1.125 634 L HN 0.666 nan 8.230 nan 0.000 0.452 635 H N 1.472 120.508 119.070 -0.058 0.000 2.589 635 H HA 0.446 4.879 4.556 -0.205 0.000 0.351 635 H C -1.218 174.177 175.328 0.111 0.000 1.074 635 H CA -0.427 55.626 56.048 0.007 0.000 1.203 635 H CB 1.865 31.620 29.762 -0.011 0.000 1.558 635 H HN 0.724 nan 8.280 nan 0.000 0.522 636 T N 1.421 115.945 114.554 -0.050 0.000 2.907 636 T HA 0.662 4.889 4.350 -0.206 0.000 0.292 636 T C -0.640 174.103 174.700 0.072 0.000 1.043 636 T CA -0.951 61.205 62.100 0.094 0.000 1.003 636 T CB 1.938 70.796 68.868 -0.015 0.000 1.084 636 T HN 0.390 nan 8.240 nan 0.000 0.483 637 S N 0.712 116.428 115.700 0.026 0.000 2.540 637 S HA 0.631 4.977 4.470 -0.206 0.000 0.275 637 S C -0.896 173.713 174.600 0.015 0.000 1.123 637 S CA -0.744 57.450 58.200 -0.010 0.000 0.907 637 S CB 1.030 64.177 63.200 -0.088 0.000 1.081 637 S HN 0.737 nan 8.310 nan 0.000 0.476 638 I N 2.142 122.725 120.570 0.022 0.000 2.460 638 I HA 0.670 4.716 4.170 -0.206 0.000 0.298 638 I C -0.060 176.095 176.117 0.064 0.000 0.989 638 I CA -0.518 60.799 61.300 0.029 0.000 1.173 638 I CB 1.654 39.647 38.000 -0.011 0.000 1.338 638 I HN 0.734 nan 8.210 nan 0.000 0.456 639 A N 4.897 127.774 122.820 0.094 0.000 2.763 639 A HA 0.686 4.883 4.320 -0.206 0.000 0.325 639 A C 0.341 177.950 177.584 0.041 0.000 1.209 639 A CA 0.143 52.234 52.037 0.089 0.000 0.764 639 A CB 0.219 19.325 19.000 0.176 0.000 1.120 639 A HN 1.088 nan 8.150 nan 0.000 0.463 640 G N 2.794 111.602 108.800 0.014 0.000 2.543 640 G HA2 -0.361 3.476 3.960 -0.206 0.000 0.286 640 G HA3 -0.361 3.476 3.960 -0.206 0.000 0.286 640 G C 1.069 175.954 174.900 -0.025 0.000 1.153 640 G CA 0.757 45.855 45.100 -0.003 0.000 0.968 640 G HN 1.547 nan 8.290 nan 0.000 0.544 641 R N 1.451 121.930 120.500 -0.035 0.000 2.317 641 R HA 0.218 4.434 4.340 -0.206 0.000 0.208 641 R C 0.670 176.913 176.300 -0.094 0.000 0.914 641 R CA 0.457 56.522 56.100 -0.059 0.000 1.060 641 R CB -0.346 29.924 30.300 -0.050 0.000 1.015 641 R HN 0.566 nan 8.270 nan 0.000 0.498 642 N N 1.318 119.958 118.700 -0.100 0.000 2.482 642 N HA 0.143 4.759 4.740 -0.206 0.000 0.260 642 N C -1.159 174.204 175.510 -0.245 0.000 1.236 642 N CA -0.204 52.718 53.050 -0.213 0.000 0.938 642 N CB 0.931 39.290 38.487 -0.212 0.000 1.128 642 N HN 0.018 nan 8.380 nan 0.000 0.448 643 L N 2.542 123.525 121.223 -0.399 0.000 2.528 643 L HA 0.381 4.598 4.340 -0.206 0.000 0.267 643 L C -1.905 174.707 176.870 -0.429 0.000 0.961 643 L CA -0.604 54.062 54.840 -0.290 0.000 0.866 643 L CB 0.837 42.791 42.059 -0.176 0.000 1.248 643 L HN 0.395 nan 8.230 nan 0.000 0.404 644 Y N 5.532 125.713 120.300 -0.199 0.000 2.342 644 Y HA 0.706 5.133 4.550 -0.205 0.000 0.334 644 Y C 0.008 175.856 175.900 -0.087 0.000 1.067 644 Y CA -0.519 57.434 58.100 -0.245 0.000 1.128 644 Y CB 1.551 39.549 38.460 -0.770 0.000 1.200 644 Y HN 0.419 nan 8.280 nan 0.000 0.464 645 I N 3.698 124.400 120.570 0.221 0.000 2.447 645 I HA 0.403 4.450 4.170 -0.206 0.000 0.287 645 I C -0.485 175.704 176.117 0.119 0.000 1.023 645 I CA -0.809 60.544 61.300 0.088 0.000 1.083 645 I CB 1.908 39.865 38.000 -0.072 0.000 1.245 645 I HN 0.471 nan 8.210 nan 0.000 0.434 646 R N 5.947 126.496 120.500 0.081 0.000 2.233 646 R HA 0.459 4.676 4.340 -0.206 0.000 0.334 646 R C -1.410 174.831 176.300 -0.099 0.000 1.037 646 R CA -0.524 55.622 56.100 0.078 0.000 0.920 646 R CB 0.496 30.817 30.300 0.035 0.000 1.137 646 R HN 0.365 nan 8.270 nan 0.000 0.492 647 F N 2.727 122.750 119.950 0.123 0.000 2.421 647 F HA 0.226 4.629 4.527 -0.206 0.000 0.358 647 F C 0.654 176.457 175.800 0.005 0.000 1.115 647 F CA -0.189 57.824 58.000 0.022 0.000 1.160 647 F CB 1.256 40.308 39.000 0.088 0.000 1.123 647 F HN 0.335 nan 8.300 nan 0.000 0.508 648 Q N 2.683 122.527 119.800 0.074 0.000 2.312 648 Q HA 0.661 4.878 4.340 -0.206 0.000 0.263 648 Q C -0.920 175.097 176.000 0.029 0.000 0.995 648 Q CA -0.491 55.350 55.803 0.064 0.000 0.853 648 Q CB 1.873 30.630 28.738 0.031 0.000 1.300 648 Q HN 0.697 nan 8.270 nan 0.000 0.448 649 S N 2.421 118.186 115.700 0.108 0.000 2.547 649 S HA 0.533 4.879 4.470 -0.206 0.000 0.270 649 S C -1.315 173.374 174.600 0.147 0.000 1.150 649 S CA -0.760 57.529 58.200 0.148 0.000 0.850 649 S CB 1.236 64.632 63.200 0.328 0.000 1.118 649 S HN 0.735 nan 8.310 nan 0.000 0.461 650 R N 0.846 121.426 120.500 0.134 0.000 2.583 650 R HA 0.551 4.767 4.340 -0.206 0.000 0.268 650 R C 0.223 176.601 176.300 0.130 0.000 1.101 650 R CA 0.272 56.431 56.100 0.099 0.000 1.180 650 R CB 0.763 31.110 30.300 0.078 0.000 1.128 650 R HN 0.749 nan 8.270 nan 0.000 0.568 651 S N -1.001 114.725 115.700 0.042 0.000 3.022 651 S HA 0.274 4.620 4.470 -0.206 0.000 0.247 651 S C 0.592 174.974 174.600 -0.364 0.000 0.845 651 S CA -0.254 57.954 58.200 0.013 0.000 1.104 651 S CB 0.519 63.735 63.200 0.028 0.000 1.228 651 S HN 1.097 nan 8.310 nan 0.000 0.532 652 G N 2.958 111.426 108.800 -0.554 0.000 2.556 652 G HA2 -0.307 3.529 3.960 -0.206 0.000 0.283 652 G HA3 -0.307 3.529 3.960 -0.206 0.000 0.283 652 G C 0.067 174.674 174.900 -0.488 0.000 1.177 652 G CA 0.687 45.193 45.100 -0.990 0.000 0.978 652 G HN 0.461 nan 8.290 nan 0.000 0.554 653 D N 1.802 121.923 120.400 -0.464 0.000 2.349 653 D HA 0.409 4.925 4.640 -0.206 0.000 0.214 653 D C 1.461 177.645 176.300 -0.193 0.000 1.063 653 D CA 0.763 54.616 54.000 -0.244 0.000 0.847 653 D CB 0.294 40.987 40.800 -0.179 0.000 0.933 653 D HN 0.761 nan 8.370 nan 0.000 0.513 654 A N 1.116 123.804 122.820 -0.219 0.000 2.366 654 A HA 0.133 4.329 4.320 -0.206 0.000 0.249 654 A C 1.364 178.887 177.584 -0.102 0.000 1.084 654 A CA -0.303 51.656 52.037 -0.130 0.000 0.794 654 A CB 0.753 19.696 19.000 -0.094 0.000 1.034 654 A HN 0.021 nan 8.150 nan 0.000 0.491 655 M N 0.825 120.380 119.600 -0.073 0.000 2.213 655 M HA -0.028 4.329 4.480 -0.206 0.000 0.263 655 M C 1.386 177.676 176.300 -0.017 0.000 1.062 655 M CA 2.450 57.719 55.300 -0.052 0.000 1.105 655 M CB -0.577 31.992 32.600 -0.051 0.000 1.385 655 M HN 1.583 nan 8.290 nan 0.000 0.417 656 G N -0.856 107.940 108.800 -0.007 0.000 2.179 656 G HA2 -0.242 3.594 3.960 -0.206 0.000 0.220 656 G HA3 -0.242 3.594 3.960 -0.206 0.000 0.220 656 G C 0.799 175.726 174.900 0.044 0.000 0.990 656 G CA 0.530 45.645 45.100 0.025 0.000 0.646 656 G HN 0.347 nan 8.290 nan 0.000 0.517 657 M N 0.801 120.422 119.600 0.036 0.000 2.073 657 M HA -0.079 4.277 4.480 -0.206 0.000 0.258 657 M C 2.295 178.617 176.300 0.038 0.000 1.070 657 M CA 2.051 57.378 55.300 0.045 0.000 1.103 657 M CB -1.114 31.509 32.600 0.038 0.000 1.321 657 M HN 0.362 nan 8.290 nan 0.000 0.405 658 N N -0.414 118.300 118.700 0.023 0.000 2.270 658 N HA -0.108 4.508 4.740 -0.206 0.000 0.181 658 N C 1.693 177.199 175.510 -0.006 0.000 1.016 658 N CA 0.881 53.937 53.050 0.009 0.000 0.870 658 N CB -0.356 38.135 38.487 0.008 0.000 0.979 658 N HN 0.394 nan 8.380 nan 0.000 0.431 659 M N 0.351 119.956 119.600 0.008 0.000 2.117 659 M HA -0.093 4.264 4.480 -0.206 0.000 0.262 659 M C 1.395 177.657 176.300 -0.064 0.000 1.065 659 M CA 1.320 56.615 55.300 -0.008 0.000 1.114 659 M CB -0.094 32.539 32.600 0.055 0.000 1.361 659 M HN -0.054 nan 8.290 nan 0.000 0.408 660 I N 0.094 120.675 120.570 0.018 0.000 2.439 660 I HA -0.162 3.884 4.170 -0.206 0.000 0.251 660 I C 2.389 178.494 176.117 -0.020 0.000 1.139 660 I CA 0.888 62.233 61.300 0.076 0.000 1.438 660 I CB -0.479 37.666 38.000 0.242 0.000 1.085 660 I HN 0.206 nan 8.210 nan 0.000 0.427 661 S N 0.035 115.725 115.700 -0.015 0.000 2.382 661 S HA -0.187 4.159 4.470 -0.206 0.000 0.228 661 S C 2.049 176.586 174.600 -0.105 0.000 1.027 661 S CA 1.238 59.419 58.200 -0.032 0.000 0.991 661 S CB -0.157 63.041 63.200 -0.004 0.000 0.823 661 S HN 0.375 nan 8.310 nan 0.000 0.469 662 K N 0.465 120.779 120.400 -0.143 0.000 2.062 662 K HA -0.013 4.184 4.320 -0.206 0.000 0.205 662 K C 2.365 178.776 176.600 -0.315 0.000 1.051 662 K CA 0.961 57.140 56.287 -0.180 0.000 0.941 662 K CB -0.482 31.928 32.500 -0.149 0.000 0.719 662 K HN 0.391 nan 8.250 nan 0.000 0.440 663 G N 0.118 108.584 108.800 -0.558 0.000 2.442 663 G HA2 -0.231 3.605 3.960 -0.206 0.000 0.219 663 G HA3 -0.231 3.605 3.960 -0.206 0.000 0.219 663 G C 1.405 175.888 174.900 -0.695 0.000 1.141 663 G CA 1.342 45.760 45.100 -1.135 0.000 0.763 663 G HN 0.257 nan 8.290 nan 0.000 0.554 664 T N 0.180 114.491 114.554 -0.406 0.000 2.904 664 T HA 0.011 4.237 4.350 -0.206 0.000 0.267 664 T C 2.035 176.580 174.700 -0.259 0.000 1.059 664 T CA 1.087 62.941 62.100 -0.410 0.000 1.137 664 T CB -0.024 68.687 68.868 -0.261 0.000 0.879 664 T HN 0.388 nan 8.240 nan 0.000 0.467 665 E N 1.027 121.119 120.200 -0.180 0.000 2.012 665 E HA -0.203 4.024 4.350 -0.206 0.000 0.197 665 E C 2.242 178.791 176.600 -0.085 0.000 1.007 665 E CA 1.384 57.719 56.400 -0.107 0.000 0.816 665 E CB -0.048 29.594 29.700 -0.097 0.000 0.762 665 E HN 0.202 nan 8.360 nan 0.000 0.451 666 K N -0.013 120.324 120.400 -0.104 0.000 2.148 666 K HA -0.054 4.142 4.320 -0.206 0.000 0.204 666 K C 1.706 178.305 176.600 -0.001 0.000 1.050 666 K CA 1.047 57.303 56.287 -0.053 0.000 0.942 666 K CB -0.103 32.357 32.500 -0.067 0.000 0.724 666 K HN 0.143 nan 8.250 nan 0.000 0.446 667 A N 0.227 123.033 122.820 -0.024 0.000 1.969 667 A HA -0.067 4.129 4.320 -0.206 0.000 0.218 667 A C 1.988 179.651 177.584 0.132 0.000 1.169 667 A CA 1.104 53.184 52.037 0.072 0.000 0.635 667 A CB -0.439 18.587 19.000 0.043 0.000 0.810 667 A HN 0.264 nan 8.150 nan 0.000 0.445 668 L N -0.662 120.601 121.223 0.066 0.000 2.179 668 L HA -0.089 4.128 4.340 -0.206 0.000 0.208 668 L C 2.887 179.855 176.870 0.163 0.000 1.096 668 L CA 1.263 56.193 54.840 0.150 0.000 0.779 668 L CB -0.287 41.835 42.059 0.106 0.000 0.922 668 L HN 0.529 nan 8.230 nan 0.000 0.443 669 S N 0.151 115.910 115.700 0.098 0.000 2.399 669 S HA -0.227 4.120 4.470 -0.206 0.000 0.231 669 S C 2.054 176.745 174.600 0.152 0.000 1.022 669 S CA 1.542 59.795 58.200 0.088 0.000 0.983 669 S CB 0.001 63.212 63.200 0.018 0.000 0.803 669 S HN 0.205 nan 8.310 nan 0.000 0.480 670 K N 0.906 121.409 120.400 0.171 0.000 2.062 670 K HA 0.149 4.345 4.320 -0.206 0.000 0.205 670 K C 1.925 178.712 176.600 0.311 0.000 1.051 670 K CA 1.115 57.539 56.287 0.228 0.000 0.941 670 K CB -0.899 31.745 32.500 0.240 0.000 0.719 670 K HN 0.389 nan 8.250 nan 0.000 0.440 671 L N 0.737 122.139 121.223 0.297 0.000 2.201 671 L HA -0.116 4.100 4.340 -0.206 0.000 0.212 671 L C 2.257 179.284 176.870 0.262 0.000 1.105 671 L CA 1.768 56.778 54.840 0.284 0.000 0.775 671 L CB -0.623 41.629 42.059 0.322 0.000 0.913 671 L HN 0.453 nan 8.230 nan 0.000 0.440 672 H N -0.242 118.918 119.070 0.150 0.000 2.428 672 H HA -0.097 4.335 4.556 -0.206 0.000 0.296 672 H C 1.802 177.153 175.328 0.037 0.000 1.062 672 H CA 1.716 57.824 56.048 0.101 0.000 1.350 672 H CB 0.400 30.202 29.762 0.067 0.000 1.403 672 H HN 0.525 nan 8.280 nan 0.000 0.533 673 E N -0.490 119.793 120.200 0.139 0.000 2.150 673 E HA -0.171 4.055 4.350 -0.206 0.000 0.193 673 E C 1.734 178.185 176.600 -0.248 0.000 0.985 673 E CA 0.882 57.265 56.400 -0.027 0.000 0.814 673 E CB -0.044 29.631 29.700 -0.042 0.000 0.752 673 E HN 0.521 nan 8.360 nan 0.000 0.466 674 Y N -0.945 119.137 120.300 -0.362 0.000 2.395 674 Y HA -0.008 4.419 4.550 -0.205 0.000 0.293 674 Y C 0.430 175.680 175.900 -1.082 0.000 1.123 674 Y CA 0.702 58.313 58.100 -0.814 0.000 1.227 674 Y CB 0.464 38.138 38.460 -1.309 0.000 1.012 674 Y HN -0.099 nan 8.280 nan 0.000 0.552 675 F N 0.314 120.156 119.950 -0.181 0.000 2.809 675 F HA 0.308 4.712 4.527 -0.206 0.000 0.369 675 F C -1.975 173.613 175.800 -0.355 0.000 1.225 675 F CA -2.071 55.791 58.000 -0.230 0.000 1.201 675 F CB 1.215 40.086 39.000 -0.215 0.000 1.527 675 F HN -0.182 nan 8.300 nan 0.000 0.565 676 P HA -0.139 nan 4.420 nan 0.000 0.223 676 P C 0.672 177.775 177.300 -0.329 0.000 1.151 676 P CA 1.341 64.193 63.100 -0.414 0.000 0.787 676 P CB 0.358 31.955 31.700 -0.172 0.000 0.788 677 E N -0.843 119.267 120.200 -0.150 0.000 2.502 677 E HA 0.065 4.292 4.350 -0.206 0.000 0.194 677 E C 0.865 177.429 176.600 -0.060 0.000 1.062 677 E CA -0.191 56.166 56.400 -0.072 0.000 0.867 677 E CB -0.182 29.499 29.700 -0.032 0.000 0.888 677 E HN 0.309 nan 8.360 nan 0.000 0.510 678 M N 2.399 121.937 119.600 -0.103 0.000 2.220 678 M HA 0.001 4.357 4.480 -0.206 0.000 0.343 678 M C -0.018 176.326 176.300 0.073 0.000 1.470 678 M CA 0.078 55.360 55.300 -0.030 0.000 1.161 678 M CB 0.511 33.104 32.600 -0.011 0.000 1.737 678 M HN -0.129 nan 8.290 nan 0.000 0.464 679 Q N 5.015 124.846 119.800 0.051 0.000 2.313 679 Q HA 0.245 4.461 4.340 -0.206 0.000 0.266 679 Q C -1.260 174.779 176.000 0.065 0.000 0.989 679 Q CA -0.070 55.774 55.803 0.069 0.000 0.890 679 Q CB 0.689 29.443 28.738 0.027 0.000 1.200 679 Q HN 0.772 nan 8.270 nan 0.000 0.396 680 I N 5.719 126.338 120.570 0.082 0.000 2.291 680 I HA -0.025 4.021 4.170 -0.206 0.000 0.292 680 I C 0.745 176.883 176.117 0.034 0.000 1.064 680 I CA -0.263 61.073 61.300 0.060 0.000 1.269 680 I CB 0.976 39.015 38.000 0.065 0.000 1.418 680 I HN 0.745 nan 8.210 nan 0.000 0.485 681 L N 7.409 128.643 121.223 0.018 0.000 2.102 681 L HA 0.403 4.619 4.340 -0.206 0.000 0.202 681 L C 0.729 177.617 176.870 0.029 0.000 1.076 681 L CA 1.141 55.989 54.840 0.014 0.000 0.761 681 L CB 0.048 42.102 42.059 -0.007 0.000 0.921 681 L HN 0.654 nan 8.230 nan 0.000 0.444 682 A N -2.302 120.543 122.820 0.042 0.000 2.589 682 A HA 0.440 4.636 4.320 -0.206 0.000 0.296 682 A C 0.170 177.804 177.584 0.084 0.000 1.062 682 A CA 0.123 52.197 52.037 0.060 0.000 0.686 682 A CB 0.626 19.669 19.000 0.071 0.000 1.282 682 A HN -0.106 nan 8.150 nan 0.000 0.404 683 V N 1.067 121.030 119.914 0.080 0.000 2.667 683 V HA 0.070 4.067 4.120 -0.206 0.000 0.252 683 V C 0.950 177.127 176.094 0.138 0.000 1.065 683 V CA 2.523 64.882 62.300 0.097 0.000 1.083 683 V CB 0.241 32.102 31.823 0.064 0.000 0.692 683 V HN 1.149 nan 8.190 nan 0.000 0.468 684 S N -0.339 115.440 115.700 0.131 0.000 2.669 684 S HA 0.588 4.934 4.470 -0.206 0.000 0.315 684 S C 0.510 175.215 174.600 0.174 0.000 1.106 684 S CA -0.023 58.274 58.200 0.160 0.000 1.107 684 S CB 1.075 64.352 63.200 0.128 0.000 0.990 684 S HN 0.472 nan 8.310 nan 0.000 0.471 685 G N 3.156 112.103 108.800 0.246 0.000 3.591 685 G HA2 0.185 4.021 3.960 -0.206 0.000 0.282 685 G HA3 0.185 4.021 3.960 -0.206 0.000 0.282 685 G C 0.427 175.503 174.900 0.292 0.000 1.238 685 G CA -0.600 44.685 45.100 0.308 0.000 0.993 685 G HN 0.838 nan 8.290 nan 0.000 0.542 686 N N -1.415 117.411 118.700 0.210 0.000 2.741 686 N HA -0.236 4.381 4.740 -0.206 0.000 0.251 686 N C 0.267 175.886 175.510 0.181 0.000 1.112 686 N CA 0.888 54.030 53.050 0.153 0.000 0.750 686 N CB -1.492 37.056 38.487 0.101 0.000 1.119 686 N HN 0.557 nan 8.380 nan 0.000 0.561 687 Y N -0.294 120.051 120.300 0.074 0.000 2.458 687 Y HA 0.234 4.661 4.550 -0.204 0.000 0.256 687 Y C 1.736 177.676 175.900 0.066 0.000 1.159 687 Y CA -0.207 57.918 58.100 0.041 0.000 1.261 687 Y CB 0.039 38.562 38.460 0.105 0.000 1.119 687 Y HN 0.347 nan 8.280 nan 0.000 0.524 688 C N -0.868 118.486 119.300 0.091 0.000 2.462 688 C HA -0.031 4.306 4.460 -0.206 0.000 0.278 688 C C 1.192 176.155 174.990 -0.046 0.000 1.253 688 C CA 0.938 59.979 59.018 0.038 0.000 1.713 688 C CB -1.237 26.558 27.740 0.092 0.000 2.049 688 C HN 0.321 nan 8.230 nan 0.000 0.477 689 T N 1.040 115.576 114.554 -0.029 0.000 2.829 689 T HA 0.391 4.617 4.350 -0.206 0.000 0.282 689 T C -0.975 173.747 174.700 0.036 0.000 0.990 689 T CA 0.135 62.247 62.100 0.020 0.000 1.028 689 T CB 1.340 70.216 68.868 0.013 0.000 0.951 689 T HN 0.324 nan 8.240 nan 0.000 0.460 690 D N 2.021 122.453 120.400 0.054 0.000 2.349 690 D HA 0.305 4.821 4.640 -0.206 0.000 0.232 690 D C -0.009 176.320 176.300 0.049 0.000 1.071 690 D CA -0.501 53.532 54.000 0.055 0.000 0.832 690 D CB 0.388 41.227 40.800 0.065 0.000 1.086 690 D HN 0.502 nan 8.370 nan 0.000 0.504 691 K N 1.004 121.430 120.400 0.044 0.000 3.230 691 K HA -0.222 3.974 4.320 -0.206 0.000 0.285 691 K C -0.619 175.997 176.600 0.027 0.000 1.196 691 K CA 0.693 57.003 56.287 0.037 0.000 0.838 691 K CB -0.969 31.556 32.500 0.041 0.000 1.262 691 K HN 0.350 nan 8.250 nan 0.000 0.492 692 K N 0.021 120.435 120.400 0.023 0.000 2.477 692 K HA 0.355 4.551 4.320 -0.206 0.000 0.255 692 K C -2.759 173.844 176.600 0.005 0.000 0.952 692 K CA -1.996 54.299 56.287 0.013 0.000 0.826 692 K CB 1.491 34.003 32.500 0.019 0.000 1.331 692 K HN -0.237 nan 8.250 nan 0.000 0.437 693 P HA 0.183 nan 4.420 nan 0.000 0.265 693 P C -1.390 175.902 177.300 -0.012 0.000 1.222 693 P CA -0.204 62.883 63.100 -0.022 0.000 0.767 693 P CB 0.802 32.475 31.700 -0.045 0.000 0.801 694 A N 3.053 125.873 122.820 0.000 0.000 2.455 694 A HA 0.599 4.795 4.320 -0.206 0.000 0.300 694 A C 1.027 178.632 177.584 0.035 0.000 1.040 694 A CA -0.244 51.798 52.037 0.008 0.000 0.697 694 A CB 1.547 20.550 19.000 0.004 0.000 1.265 694 A HN 0.384 nan 8.150 nan 0.000 0.407 695 A N 1.690 124.534 122.820 0.038 0.000 2.015 695 A HA -0.037 4.159 4.320 -0.206 0.000 0.219 695 A C 1.734 179.381 177.584 0.105 0.000 1.163 695 A CA 1.735 53.829 52.037 0.095 0.000 0.646 695 A CB -0.535 18.510 19.000 0.075 0.000 0.806 695 A HN 1.103 nan 8.150 nan 0.000 0.448 696 I N -0.298 120.276 120.570 0.007 0.000 2.394 696 I HA -0.229 3.818 4.170 -0.206 0.000 0.251 696 I C 1.746 177.814 176.117 -0.081 0.000 1.136 696 I CA 1.313 62.556 61.300 -0.096 0.000 1.425 696 I CB -0.145 37.706 38.000 -0.249 0.000 1.079 696 I HN 0.263 nan 8.210 nan 0.000 0.425 697 N N 0.471 119.164 118.700 -0.011 0.000 2.188 697 N HA -0.248 4.369 4.740 -0.206 0.000 0.184 697 N C 1.482 177.045 175.510 0.088 0.000 1.018 697 N CA 1.336 54.397 53.050 0.019 0.000 0.858 697 N CB -0.582 37.935 38.487 0.050 0.000 0.989 697 N HN 0.610 nan 8.380 nan 0.000 0.426 698 W N 1.202 122.474 121.300 -0.047 0.000 2.402 698 W HA 0.008 4.534 4.660 -0.224 0.000 0.286 698 W C 1.271 177.772 176.519 -0.030 0.000 1.221 698 W CA 0.674 58.007 57.345 -0.021 0.000 1.257 698 W CB 0.032 29.496 29.460 0.006 0.000 1.120 698 W HN -0.001 nan 8.180 nan 0.000 0.551 699 I N -0.096 120.449 120.570 -0.042 0.000 2.810 699 I HA -0.114 3.933 4.170 -0.206 0.000 0.262 699 I C 2.172 178.190 176.117 -0.164 0.000 1.131 699 I CA 0.722 61.942 61.300 -0.132 0.000 1.453 699 I CB -0.264 37.725 38.000 -0.019 0.000 1.161 699 I HN -0.277 nan 8.210 nan 0.000 0.444 700 E N 0.918 121.024 120.200 -0.156 0.000 2.415 700 E HA 0.195 4.422 4.350 -0.206 0.000 0.197 700 E C 0.868 177.386 176.600 -0.136 0.000 1.007 700 E CA 0.558 56.859 56.400 -0.166 0.000 0.890 700 E CB 0.450 30.006 29.700 -0.241 0.000 0.891 700 E HN 0.396 nan 8.360 nan 0.000 0.496 701 G N 1.831 110.555 108.800 -0.125 0.000 2.814 701 G HA2 -0.254 3.582 3.960 -0.206 0.000 0.677 701 G HA3 -0.254 3.582 3.960 -0.206 0.000 0.677 701 G C -0.418 174.445 174.900 -0.061 0.000 1.429 701 G CA -0.016 45.029 45.100 -0.092 0.000 0.868 701 G HN 0.228 nan 8.290 nan 0.000 0.553 702 R N 0.279 120.761 120.500 -0.029 0.000 2.563 702 R HA 0.570 4.787 4.340 -0.206 0.000 0.262 702 R C 0.999 177.305 176.300 0.010 0.000 1.128 702 R CA 0.708 56.803 56.100 -0.009 0.000 0.969 702 R CB 0.875 31.175 30.300 -0.001 0.000 1.251 702 R HN 2.834 nan 8.270 nan 0.000 0.442 703 G N 3.483 112.293 108.800 0.016 0.000 2.591 703 G HA2 -0.298 3.538 3.960 -0.206 0.000 0.298 703 G HA3 -0.298 3.538 3.960 -0.206 0.000 0.298 703 G C -1.069 173.833 174.900 0.005 0.000 1.195 703 G CA 0.226 45.337 45.100 0.017 0.000 0.989 703 G HN 0.510 nan 8.290 nan 0.000 0.551 704 K N 1.403 121.807 120.400 0.005 0.000 2.227 704 K HA 0.567 4.764 4.320 -0.206 0.000 0.280 704 K C -0.318 176.276 176.600 -0.011 0.000 1.041 704 K CA -0.165 56.118 56.287 -0.006 0.000 0.905 704 K CB 1.493 33.989 32.500 -0.006 0.000 1.068 704 K HN 0.443 nan 8.250 nan 0.000 0.470 705 S N 1.636 117.319 115.700 -0.029 0.000 2.457 705 S HA 0.483 4.830 4.470 -0.206 0.000 0.289 705 S C -0.090 174.486 174.600 -0.041 0.000 1.163 705 S CA -0.814 57.357 58.200 -0.048 0.000 1.078 705 S CB 1.098 64.254 63.200 -0.074 0.000 0.987 705 S HN 0.285 nan 8.310 nan 0.000 0.482 706 V N 3.191 123.082 119.914 -0.039 0.000 2.925 706 V HA 0.639 4.636 4.120 -0.206 0.000 0.311 706 V C -0.477 175.598 176.094 -0.031 0.000 1.104 706 V CA -0.752 61.531 62.300 -0.030 0.000 0.954 706 V CB 2.126 33.937 31.823 -0.021 0.000 1.022 706 V HN 0.621 nan 8.190 nan 0.000 0.427 707 V N 3.143 123.043 119.914 -0.024 0.000 2.864 707 V HA 0.836 4.833 4.120 -0.206 0.000 0.314 707 V C -0.950 175.139 176.094 -0.008 0.000 1.073 707 V CA -0.200 62.090 62.300 -0.016 0.000 0.956 707 V CB 1.952 33.769 31.823 -0.011 0.000 1.023 707 V HN 1.136 nan 8.190 nan 0.000 0.435 708 C N 5.242 124.536 119.300 -0.011 0.000 2.985 708 C HA 0.886 5.223 4.460 -0.206 0.000 0.314 708 C C -1.084 173.882 174.990 -0.040 0.000 1.215 708 C CA -0.044 58.965 59.018 -0.016 0.000 1.414 708 C CB 1.377 29.102 27.740 -0.024 0.000 1.842 708 C HN 1.132 nan 8.230 nan 0.000 0.477 709 E N 3.098 123.274 120.200 -0.039 0.000 2.445 709 E HA 0.827 5.054 4.350 -0.206 0.000 0.279 709 E C -1.312 175.244 176.600 -0.073 0.000 1.018 709 E CA -0.803 55.535 56.400 -0.103 0.000 0.816 709 E CB 1.821 31.520 29.700 -0.001 0.000 1.356 709 E HN 1.311 nan 8.360 nan 0.000 0.462 710 A N 0.557 123.293 122.820 -0.140 0.000 2.608 710 A HA 0.571 4.767 4.320 -0.206 0.000 0.292 710 A C -1.668 175.899 177.584 -0.027 0.000 1.066 710 A CA -0.684 51.322 52.037 -0.052 0.000 0.676 710 A CB 1.819 20.787 19.000 -0.053 0.000 1.277 710 A HN 0.369 nan 8.150 nan 0.000 0.413 711 V N 2.500 122.443 119.914 0.048 0.000 2.448 711 V HA 0.469 4.465 4.120 -0.206 0.000 0.295 711 V C -0.724 175.394 176.094 0.040 0.000 1.025 711 V CA -0.520 61.826 62.300 0.076 0.000 0.859 711 V CB 1.540 33.432 31.823 0.114 0.000 0.988 711 V HN 0.654 nan 8.190 nan 0.000 0.431 712 I N 6.105 126.694 120.570 0.032 0.000 2.328 712 I HA 0.396 4.442 4.170 -0.206 0.000 0.287 712 I C -2.330 173.804 176.117 0.029 0.000 1.012 712 I CA -2.761 58.553 61.300 0.023 0.000 1.195 712 I CB 1.078 39.086 38.000 0.014 0.000 1.350 712 I HN 0.338 nan 8.210 nan 0.000 0.464 713 P HA -0.024 nan 4.420 nan 0.000 0.267 713 P C 0.799 178.113 177.300 0.023 0.000 1.195 713 P CA 0.240 63.355 63.100 0.025 0.000 0.773 713 P CB 0.852 32.565 31.700 0.020 0.000 0.837 714 A N 3.357 126.190 122.820 0.022 0.000 1.940 714 A HA -0.242 3.954 4.320 -0.206 0.000 0.219 714 A C 2.095 179.690 177.584 0.017 0.000 1.176 714 A CA 1.953 54.003 52.037 0.020 0.000 0.631 714 A CB -1.063 17.948 19.000 0.019 0.000 0.814 714 A HN 0.588 nan 8.150 nan 0.000 0.446 715 K N -0.375 120.035 120.400 0.016 0.000 2.057 715 K HA -0.100 4.097 4.320 -0.206 0.000 0.207 715 K C 1.711 178.320 176.600 0.014 0.000 1.049 715 K CA 1.657 57.952 56.287 0.014 0.000 0.931 715 K CB -0.235 32.272 32.500 0.012 0.000 0.714 715 K HN 0.237 nan 8.250 nan 0.000 0.440 716 V N 0.463 120.386 119.914 0.015 0.000 2.427 716 V HA -0.187 3.809 4.120 -0.206 0.000 0.248 716 V C 2.200 178.303 176.094 0.016 0.000 1.051 716 V CA 1.338 63.647 62.300 0.015 0.000 1.048 716 V CB -0.025 31.807 31.823 0.015 0.000 0.666 716 V HN 0.157 nan 8.190 nan 0.000 0.456 717 V N -0.065 119.860 119.914 0.017 0.000 2.490 717 V HA -0.251 3.745 4.120 -0.206 0.000 0.250 717 V C 2.514 178.620 176.094 0.020 0.000 1.061 717 V CA 2.257 64.569 62.300 0.019 0.000 1.064 717 V CB -0.764 31.072 31.823 0.021 0.000 0.670 717 V HN 0.462 nan 8.190 nan 0.000 0.461 718 R N -0.210 120.301 120.500 0.018 0.000 2.062 718 R HA -0.099 4.117 4.340 -0.206 0.000 0.226 718 R C 2.304 178.614 176.300 0.018 0.000 1.125 718 R CA 1.603 57.713 56.100 0.017 0.000 0.966 718 R CB -0.009 30.300 30.300 0.015 0.000 0.861 718 R HN 0.592 nan 8.270 nan 0.000 0.433 719 E N -1.057 119.152 120.200 0.016 0.000 2.127 719 E HA -0.042 4.184 4.350 -0.206 0.000 0.191 719 E C 1.817 178.427 176.600 0.017 0.000 0.964 719 E CA 0.774 57.183 56.400 0.015 0.000 0.832 719 E CB 0.471 30.178 29.700 0.013 0.000 0.790 719 E HN 0.090 nan 8.360 nan 0.000 0.465 720 V N 0.964 120.888 119.914 0.016 0.000 2.492 720 V HA -0.072 3.924 4.120 -0.206 0.000 0.241 720 V C 1.949 178.054 176.094 0.018 0.000 1.041 720 V CA 1.046 63.355 62.300 0.016 0.000 1.057 720 V CB -0.055 31.776 31.823 0.013 0.000 0.711 720 V HN 0.213 nan 8.190 nan 0.000 0.468 721 L N -0.465 120.770 121.223 0.020 0.000 2.529 721 L HA 0.189 4.405 4.340 -0.206 0.000 0.223 721 L C 0.597 177.488 176.870 0.035 0.000 1.113 721 L CA 0.097 54.950 54.840 0.022 0.000 0.861 721 L CB -0.094 41.976 42.059 0.019 0.000 1.012 721 L HN 0.239 nan 8.230 nan 0.000 0.461 722 K N 0.996 121.416 120.400 0.034 0.000 3.162 722 K HA -0.169 4.028 4.320 -0.206 0.000 0.268 722 K C 0.055 176.680 176.600 0.042 0.000 1.062 722 K CA 0.905 57.217 56.287 0.041 0.000 0.769 722 K CB -2.185 30.351 32.500 0.061 0.000 1.274 722 K HN 0.469 nan 8.250 nan 0.000 0.478 723 T N -1.567 113.007 114.554 0.032 0.000 2.647 723 T HA 0.550 4.777 4.350 -0.206 0.000 0.302 723 T C -1.368 173.346 174.700 0.023 0.000 1.389 723 T CA 0.285 62.403 62.100 0.029 0.000 1.037 723 T CB 1.591 70.480 68.868 0.036 0.000 1.755 723 T HN 0.262 nan 8.240 nan 0.000 0.467 724 T N -0.491 114.076 114.554 0.022 0.000 2.893 724 T HA 0.480 4.706 4.350 -0.206 0.000 0.291 724 T C 1.103 175.817 174.700 0.023 0.000 1.028 724 T CA -0.319 61.793 62.100 0.020 0.000 0.995 724 T CB 1.205 70.083 68.868 0.017 0.000 1.051 724 T HN 0.489 nan 8.240 nan 0.000 0.470 725 T N 0.816 115.385 114.554 0.024 0.000 2.699 725 T HA -0.183 4.044 4.350 -0.206 0.000 0.268 725 T C 1.666 176.383 174.700 0.028 0.000 1.036 725 T CA 2.006 64.123 62.100 0.028 0.000 1.147 725 T CB -0.353 68.534 68.868 0.032 0.000 0.862 725 T HN 0.844 nan 8.240 nan 0.000 0.446 726 E N 0.805 121.020 120.200 0.025 0.000 2.058 726 E HA -0.169 4.058 4.350 -0.206 0.000 0.194 726 E C 2.434 179.047 176.600 0.022 0.000 0.997 726 E CA 1.220 57.633 56.400 0.023 0.000 0.801 726 E CB -0.238 29.473 29.700 0.018 0.000 0.746 726 E HN 0.494 nan 8.360 nan 0.000 0.450 727 A N 0.957 123.790 122.820 0.021 0.000 1.969 727 A HA -0.152 4.045 4.320 -0.206 0.000 0.218 727 A C 2.195 179.793 177.584 0.024 0.000 1.169 727 A CA 1.391 53.440 52.037 0.021 0.000 0.635 727 A CB -0.366 18.646 19.000 0.020 0.000 0.810 727 A HN 0.290 nan 8.150 nan 0.000 0.445 728 M N -0.535 119.081 119.600 0.026 0.000 2.086 728 M HA -0.076 4.280 4.480 -0.206 0.000 0.261 728 M C 2.155 178.473 176.300 0.029 0.000 1.067 728 M CA 1.421 56.737 55.300 0.027 0.000 1.116 728 M CB -1.071 31.544 32.600 0.026 0.000 1.348 728 M HN 0.424 nan 8.290 nan 0.000 0.407 729 I N -0.289 120.300 120.570 0.031 0.000 2.286 729 I HA -0.277 3.770 4.170 -0.206 0.000 0.248 729 I C 2.502 178.638 176.117 0.032 0.000 1.115 729 I CA 1.185 62.506 61.300 0.035 0.000 1.392 729 I CB -0.391 37.632 38.000 0.038 0.000 1.065 729 I HN 0.402 nan 8.210 nan 0.000 0.418 730 E N 0.689 120.906 120.200 0.027 0.000 2.072 730 E HA -0.162 4.065 4.350 -0.206 0.000 0.191 730 E C 2.298 178.913 176.600 0.025 0.000 0.985 730 E CA 1.235 57.649 56.400 0.024 0.000 0.801 730 E CB 0.239 29.951 29.700 0.020 0.000 0.750 730 E HN 0.285 nan 8.360 nan 0.000 0.452 731 V N 1.221 121.150 119.914 0.025 0.000 2.453 731 V HA -0.190 3.806 4.120 -0.206 0.000 0.247 731 V C 2.121 178.233 176.094 0.031 0.000 1.048 731 V CA 1.865 64.180 62.300 0.026 0.000 1.049 731 V CB -0.692 31.145 31.823 0.025 0.000 0.672 731 V HN 0.298 nan 8.190 nan 0.000 0.457 732 N N 0.247 118.967 118.700 0.034 0.000 2.106 732 N HA -0.087 4.530 4.740 -0.206 0.000 0.188 732 N C 1.723 177.262 175.510 0.048 0.000 1.029 732 N CA 1.305 54.380 53.050 0.042 0.000 0.848 732 N CB -0.159 38.352 38.487 0.041 0.000 1.007 732 N HN 0.412 nan 8.380 nan 0.000 0.423 733 I N 0.634 121.228 120.570 0.041 0.000 2.127 733 I HA -0.284 3.763 4.170 -0.206 0.000 0.241 733 I C 1.549 177.691 176.117 0.043 0.000 1.075 733 I CA 1.117 62.441 61.300 0.040 0.000 1.334 733 I CB -0.279 37.740 38.000 0.032 0.000 1.040 733 I HN 0.310 nan 8.210 nan 0.000 0.405 734 N N 0.115 118.836 118.700 0.035 0.000 2.446 734 N HA -0.108 4.508 4.740 -0.206 0.000 0.179 734 N C 1.619 177.149 175.510 0.032 0.000 1.054 734 N CA 0.647 53.716 53.050 0.031 0.000 0.905 734 N CB 0.266 38.767 38.487 0.023 0.000 0.973 734 N HN 0.448 nan 8.380 nan 0.000 0.448 735 K N 0.862 121.283 120.400 0.036 0.000 2.157 735 K HA 0.112 4.309 4.320 -0.206 0.000 0.207 735 K C 1.166 177.794 176.600 0.047 0.000 1.030 735 K CA 0.287 56.593 56.287 0.031 0.000 0.965 735 K CB 0.222 32.737 32.500 0.025 0.000 0.877 735 K HN -0.129 nan 8.250 nan 0.000 0.460 736 N N 0.865 119.606 118.700 0.067 0.000 2.409 736 N HA -0.015 4.601 4.740 -0.206 0.000 0.179 736 N C 1.703 177.335 175.510 0.203 0.000 1.032 736 N CA 0.818 53.931 53.050 0.103 0.000 0.898 736 N CB 0.191 38.738 38.487 0.100 0.000 0.971 736 N HN 0.235 nan 8.380 nan 0.000 0.441 737 L N -0.928 120.394 121.223 0.164 0.000 2.356 737 L HA 0.147 4.364 4.340 -0.206 0.000 0.193 737 L C 1.993 178.962 176.870 0.167 0.000 1.087 737 L CA 0.294 55.248 54.840 0.190 0.000 0.817 737 L CB -0.458 41.642 42.059 0.067 0.000 1.035 737 L HN -0.163 nan 8.230 nan 0.000 0.482 738 V N 0.496 120.466 119.914 0.092 0.000 2.379 738 V HA -0.078 3.918 4.120 -0.206 0.000 0.245 738 V C 2.561 178.689 176.094 0.056 0.000 1.044 738 V CA 1.901 64.241 62.300 0.066 0.000 1.036 738 V CB -1.146 30.701 31.823 0.041 0.000 0.664 738 V HN 0.543 nan 8.190 nan 0.000 0.453 739 G N -0.420 108.407 108.800 0.045 0.000 2.404 739 G HA2 -0.212 3.624 3.960 -0.206 0.000 0.215 739 G HA3 -0.212 3.624 3.960 -0.206 0.000 0.215 739 G C 1.847 176.746 174.900 -0.002 0.000 1.174 739 G CA 1.101 46.211 45.100 0.018 0.000 0.780 739 G HN 0.485 nan 8.290 nan 0.000 0.537 740 S N 1.009 116.707 115.700 -0.004 0.000 2.399 740 S HA -0.020 4.326 4.470 -0.206 0.000 0.231 740 S C 2.741 177.291 174.600 -0.083 0.000 1.022 740 S CA 1.165 59.295 58.200 -0.117 0.000 0.983 740 S CB -0.310 62.725 63.200 -0.275 0.000 0.803 740 S HN 0.588 nan 8.310 nan 0.000 0.480 741 A N 1.724 124.591 122.820 0.079 0.000 1.902 741 A HA -0.072 4.124 4.320 -0.206 0.000 0.217 741 A C 2.061 179.661 177.584 0.027 0.000 1.181 741 A CA 1.392 53.491 52.037 0.104 0.000 0.623 741 A CB -0.479 18.601 19.000 0.134 0.000 0.818 741 A HN 0.372 nan 8.150 nan 0.000 0.443 742 M N -0.382 119.226 119.600 0.014 0.000 2.296 742 M HA 0.000 4.357 4.480 -0.206 0.000 0.265 742 M C 2.214 178.502 176.300 -0.021 0.000 1.064 742 M CA 1.268 56.567 55.300 -0.001 0.000 1.109 742 M CB -1.487 31.114 32.600 0.000 0.000 1.396 742 M HN 0.467 nan 8.290 nan 0.000 0.430 743 A N -0.585 122.210 122.820 -0.042 0.000 2.208 743 A HA 0.411 4.607 4.320 -0.206 0.000 0.209 743 A C 1.531 179.070 177.584 -0.075 0.000 1.161 743 A CA 0.830 52.831 52.037 -0.061 0.000 0.782 743 A CB -0.742 18.210 19.000 -0.080 0.000 0.816 743 A HN 0.634 nan 8.150 nan 0.000 0.477 744 G N -0.359 108.398 108.800 -0.072 0.000 2.248 744 G HA2 -0.164 3.672 3.960 -0.206 0.000 0.263 744 G HA3 -0.164 3.672 3.960 -0.206 0.000 0.263 744 G C 0.170 174.993 174.900 -0.128 0.000 1.082 744 G CA 0.494 45.550 45.100 -0.073 0.000 0.863 744 G HN 1.065 nan 8.290 nan 0.000 0.495 745 S N -0.289 115.284 115.700 -0.212 0.000 2.499 745 S HA 0.692 5.038 4.470 -0.206 0.000 0.279 745 S C 0.621 174.980 174.600 -0.403 0.000 1.219 745 S CA -0.856 57.131 58.200 -0.355 0.000 1.062 745 S CB 0.289 63.162 63.200 -0.545 0.000 0.978 745 S HN 0.375 nan 8.310 nan 0.000 0.489 746 I N 4.576 124.930 120.570 -0.361 0.000 2.307 746 I HA 0.356 4.402 4.170 -0.206 0.000 0.289 746 I C 1.432 177.151 176.117 -0.663 0.000 1.021 746 I CA 0.207 61.265 61.300 -0.404 0.000 1.224 746 I CB 0.056 37.918 38.000 -0.229 0.000 1.376 746 I HN 1.030 nan 8.210 nan 0.000 0.470 747 G N 4.915 113.048 108.800 -1.113 0.000 2.162 747 G HA2 -0.216 3.621 3.960 -0.206 0.000 0.260 747 G HA3 -0.216 3.621 3.960 -0.206 0.000 0.260 747 G C 0.770 175.180 174.900 -0.816 0.000 0.976 747 G CA 0.095 44.250 45.100 -1.574 0.000 0.655 747 G HN 0.965 nan 8.290 nan 0.000 0.533 748 G N -0.355 107.970 108.800 -0.792 0.000 4.294 748 G HA2 0.490 4.326 3.960 -0.206 0.000 0.301 748 G HA3 0.490 4.326 3.960 -0.206 0.000 0.301 748 G C 0.091 174.675 174.900 -0.526 0.000 1.321 748 G CA -0.498 44.295 45.100 -0.512 0.000 1.190 748 G HN 0.406 nan 8.290 nan 0.000 0.600 749 Y N 1.514 121.714 120.300 -0.168 0.000 2.928 749 Y HA 0.235 4.658 4.550 -0.211 0.000 0.390 749 Y C 0.738 176.631 175.900 -0.011 0.000 1.101 749 Y CA -0.860 57.200 58.100 -0.067 0.000 1.777 749 Y CB -0.313 38.132 38.460 -0.024 0.000 1.720 749 Y HN 0.553 nan 8.280 nan 0.000 0.484 750 N N -1.929 116.799 118.700 0.046 0.000 2.853 750 N HA 0.652 5.269 4.740 -0.206 0.000 0.258 750 N C 0.218 175.749 175.510 0.036 0.000 1.444 750 N CA -0.505 52.576 53.050 0.053 0.000 0.837 750 N CB 0.814 39.325 38.487 0.039 0.000 1.489 750 N HN -0.052 nan 8.380 nan 0.000 0.529 751 A N -0.146 122.717 122.820 0.073 0.000 1.835 751 A HA 0.018 4.215 4.320 -0.206 0.000 0.213 751 A C 0.809 178.490 177.584 0.162 0.000 1.210 751 A CA 1.856 53.956 52.037 0.105 0.000 0.605 751 A CB -1.064 18.025 19.000 0.148 0.000 0.860 751 A HN 1.032 nan 8.150 nan 0.000 0.447 752 H N -4.983 114.068 119.070 -0.032 0.000 3.407 752 H HA 0.642 5.074 4.556 -0.207 0.000 0.222 752 H C 0.674 175.977 175.328 -0.042 0.000 1.357 752 H CA 0.208 56.232 56.048 -0.040 0.000 1.145 752 H CB -0.283 29.456 29.762 -0.038 0.000 2.622 752 H HN 0.265 nan 8.280 nan 0.000 0.556 753 A N 1.170 123.877 122.820 -0.188 0.000 1.997 753 A HA -0.173 4.024 4.320 -0.206 0.000 0.221 753 A C 2.522 179.989 177.584 -0.195 0.000 1.172 753 A CA 2.146 54.058 52.037 -0.207 0.000 0.645 753 A CB -0.904 18.033 19.000 -0.105 0.000 0.813 753 A HN 0.791 nan 8.150 nan 0.000 0.454 754 A N -0.225 122.512 122.820 -0.138 0.000 1.969 754 A HA -0.154 4.043 4.320 -0.206 0.000 0.218 754 A C 1.934 179.451 177.584 -0.112 0.000 1.169 754 A CA 1.560 53.522 52.037 -0.126 0.000 0.635 754 A CB -0.556 18.393 19.000 -0.086 0.000 0.810 754 A HN 0.543 nan 8.150 nan 0.000 0.445 755 N N 0.186 118.841 118.700 -0.075 0.000 2.036 755 N HA -0.167 4.449 4.740 -0.206 0.000 0.195 755 N C 1.496 176.957 175.510 -0.082 0.000 1.037 755 N CA 1.822 54.858 53.050 -0.024 0.000 0.855 755 N CB -0.439 38.138 38.487 0.151 0.000 1.033 755 N HN 0.441 nan 8.380 nan 0.000 0.423 756 I N 0.303 120.771 120.570 -0.170 0.000 2.286 756 I HA -0.146 3.901 4.170 -0.206 0.000 0.245 756 I C 2.234 178.276 176.117 -0.125 0.000 1.104 756 I CA 0.506 61.722 61.300 -0.140 0.000 1.397 756 I CB -0.391 37.497 38.000 -0.186 0.000 1.072 756 I HN -0.106 nan 8.210 nan 0.000 0.417 757 V N 0.066 119.865 119.914 -0.192 0.000 2.343 757 V HA -0.297 3.699 4.120 -0.206 0.000 0.247 757 V C 2.442 178.324 176.094 -0.354 0.000 1.051 757 V CA 2.443 64.552 62.300 -0.318 0.000 1.036 757 V CB -0.994 30.569 31.823 -0.432 0.000 0.654 757 V HN 0.458 nan 8.190 nan 0.000 0.451 758 T N 0.167 114.585 114.554 -0.228 0.000 2.777 758 T HA -0.102 4.125 4.350 -0.206 0.000 0.266 758 T C 2.046 176.743 174.700 -0.005 0.000 1.040 758 T CA 1.489 63.519 62.100 -0.117 0.000 1.141 758 T CB -0.359 68.463 68.868 -0.076 0.000 0.868 758 T HN 0.562 nan 8.240 nan 0.000 0.444 759 A N 1.235 124.049 122.820 -0.010 0.000 1.877 759 A HA 0.004 4.200 4.320 -0.206 0.000 0.216 759 A C 2.265 179.882 177.584 0.055 0.000 1.186 759 A CA 1.193 53.243 52.037 0.022 0.000 0.620 759 A CB -0.765 18.240 19.000 0.009 0.000 0.822 759 A HN 0.508 nan 8.150 nan 0.000 0.443 760 I N -1.919 118.692 120.570 0.068 0.000 2.286 760 I HA -0.247 3.800 4.170 -0.206 0.000 0.248 760 I C 2.342 178.577 176.117 0.197 0.000 1.115 760 I CA 1.162 62.529 61.300 0.112 0.000 1.392 760 I CB -0.354 37.712 38.000 0.111 0.000 1.065 760 I HN 0.334 nan 8.210 nan 0.000 0.418 761 Y N 0.651 120.939 120.300 -0.020 0.000 2.200 761 Y HA -0.150 4.277 4.550 -0.206 0.000 0.290 761 Y C 2.395 178.290 175.900 -0.008 0.000 1.137 761 Y CA 1.054 59.144 58.100 -0.016 0.000 1.163 761 Y CB -0.564 37.888 38.460 -0.013 0.000 0.988 761 Y HN 0.083 nan 8.280 nan 0.000 0.518 762 I N -0.845 119.820 120.570 0.159 0.000 2.315 762 I HA -0.269 3.778 4.170 -0.206 0.000 0.248 762 I C 2.461 178.609 176.117 0.053 0.000 1.117 762 I CA 1.160 62.511 61.300 0.086 0.000 1.404 762 I CB -0.461 37.580 38.000 0.069 0.000 1.071 762 I HN 0.113 nan 8.210 nan 0.000 0.419 763 A N -0.742 122.109 122.820 0.052 0.000 1.968 763 A HA -0.156 4.040 4.320 -0.206 0.000 0.217 763 A C 2.020 179.611 177.584 0.012 0.000 1.169 763 A CA 1.205 53.260 52.037 0.030 0.000 0.638 763 A CB -0.728 18.291 19.000 0.031 0.000 0.812 763 A HN 0.555 nan 8.150 nan 0.000 0.446 764 C N -0.963 118.339 119.300 0.004 0.000 2.884 764 C HA 0.510 4.846 4.460 -0.206 0.000 0.287 764 C C 1.761 176.715 174.990 -0.061 0.000 1.310 764 C CA -0.129 58.870 59.018 -0.032 0.000 1.725 764 C CB -1.007 26.705 27.740 -0.048 0.000 2.060 764 C HN 1.015 nan 8.230 nan 0.000 0.618 765 G N 1.306 110.083 108.800 -0.040 0.000 2.153 765 G HA2 -0.195 3.641 3.960 -0.206 0.000 0.252 765 G HA3 -0.195 3.641 3.960 -0.206 0.000 0.252 765 G C 0.019 174.868 174.900 -0.084 0.000 0.994 765 G CA 0.087 45.160 45.100 -0.044 0.000 0.698 765 G HN 0.517 nan 8.290 nan 0.000 0.521 766 Q N 0.259 119.973 119.800 -0.144 0.000 2.396 766 Q HA 0.312 4.529 4.340 -0.206 0.000 0.221 766 Q C 0.053 176.002 176.000 -0.085 0.000 1.025 766 Q CA -0.480 55.168 55.803 -0.257 0.000 0.946 766 Q CB 0.555 28.841 28.738 -0.753 0.000 1.224 766 Q HN 0.337 nan 8.270 nan 0.000 0.539 767 D N 0.344 120.710 120.400 -0.056 0.000 2.374 767 D HA 0.194 4.710 4.640 -0.206 0.000 0.240 767 D C 0.298 176.705 176.300 0.178 0.000 1.229 767 D CA -0.027 54.005 54.000 0.052 0.000 0.895 767 D CB 0.798 41.623 40.800 0.040 0.000 1.046 767 D HN 0.534 nan 8.370 nan 0.000 0.498 768 A N 3.713 126.632 122.820 0.165 0.000 2.067 768 A HA -0.022 4.174 4.320 -0.206 0.000 0.219 768 A C 2.052 179.703 177.584 0.111 0.000 1.158 768 A CA 1.359 53.507 52.037 0.184 0.000 0.661 768 A CB -0.106 18.963 19.000 0.115 0.000 0.801 768 A HN 0.602 nan 8.150 nan 0.000 0.452 769 A N -0.575 122.299 122.820 0.089 0.000 2.015 769 A HA -0.159 4.038 4.320 -0.206 0.000 0.219 769 A C 1.912 179.534 177.584 0.064 0.000 1.163 769 A CA 1.311 53.384 52.037 0.060 0.000 0.646 769 A CB -0.414 18.617 19.000 0.051 0.000 0.806 769 A HN 0.638 nan 8.150 nan 0.000 0.448 770 Q N 0.116 119.982 119.800 0.110 0.000 2.515 770 Q HA -0.087 4.129 4.340 -0.206 0.000 0.212 770 Q C 1.542 177.588 176.000 0.076 0.000 0.970 770 Q CA 0.557 56.431 55.803 0.118 0.000 0.941 770 Q CB -0.264 28.578 28.738 0.173 0.000 0.998 770 Q HN 0.919 nan 8.270 nan 0.000 0.518 771 N N 0.130 118.829 118.700 -0.001 0.000 2.453 771 N HA -0.126 4.490 4.740 -0.206 0.000 0.183 771 N C 1.404 176.865 175.510 -0.082 0.000 1.041 771 N CA 0.763 53.729 53.050 -0.140 0.000 0.900 771 N CB 0.055 38.429 38.487 -0.188 0.000 0.961 771 N HN 0.057 nan 8.380 nan 0.000 0.443 772 V N 1.090 120.985 119.914 -0.032 0.000 2.255 772 V HA -0.158 3.839 4.120 -0.206 0.000 0.247 772 V C 2.691 178.774 176.094 -0.018 0.000 1.051 772 V CA 2.292 64.576 62.300 -0.026 0.000 1.018 772 V CB -1.094 30.724 31.823 -0.008 0.000 0.641 772 V HN 0.598 nan 8.190 nan 0.000 0.445 773 G N -1.720 107.084 108.800 0.007 0.000 2.492 773 G HA2 -0.101 3.735 3.960 -0.206 0.000 0.214 773 G HA3 -0.101 3.735 3.960 -0.206 0.000 0.214 773 G C 1.750 176.674 174.900 0.039 0.000 1.147 773 G CA 0.762 45.880 45.100 0.031 0.000 0.809 773 G HN 0.475 nan 8.290 nan 0.000 0.533 774 S N 0.998 116.708 115.700 0.016 0.000 2.423 774 S HA -0.049 4.297 4.470 -0.206 0.000 0.231 774 S C 2.500 177.072 174.600 -0.047 0.000 1.014 774 S CA 1.052 59.252 58.200 0.001 0.000 0.965 774 S CB -0.067 63.115 63.200 -0.030 0.000 0.785 774 S HN 0.296 nan 8.310 nan 0.000 0.495 775 S N 1.775 117.431 115.700 -0.073 0.000 2.522 775 S HA 0.095 4.441 4.470 -0.206 0.000 0.227 775 S C 0.479 175.075 174.600 -0.007 0.000 0.986 775 S CA -0.057 58.097 58.200 -0.076 0.000 0.929 775 S CB -0.273 62.868 63.200 -0.097 0.000 0.769 775 S HN 0.452 nan 8.310 nan 0.000 0.529 776 N N 1.640 120.373 118.700 0.055 0.000 2.294 776 N HA 0.043 4.659 4.740 -0.206 0.000 0.263 776 N C -0.515 175.170 175.510 0.290 0.000 1.281 776 N CA 0.457 53.615 53.050 0.180 0.000 0.846 776 N CB 0.179 38.882 38.487 0.359 0.000 1.061 776 N HN 0.279 nan 8.380 nan 0.000 0.478 777 C N 3.702 123.205 119.300 0.338 0.000 3.254 777 C HA 0.503 4.839 4.460 -0.206 0.000 0.405 777 C C -1.016 174.190 174.990 0.359 0.000 1.027 777 C CA -1.014 58.191 59.018 0.311 0.000 1.192 777 C CB 0.301 28.112 27.740 0.119 0.000 1.567 777 C HN 0.761 nan 8.230 nan 0.000 0.582 778 I N 5.311 126.118 120.570 0.394 0.000 2.382 778 I HA 0.471 4.517 4.170 -0.206 0.000 0.285 778 I C 0.012 176.226 176.117 0.162 0.000 1.007 778 I CA 0.318 61.811 61.300 0.322 0.000 1.142 778 I CB 1.644 39.867 38.000 0.373 0.000 1.289 778 I HN 0.770 nan 8.210 nan 0.000 0.453 779 T N 8.390 123.018 114.554 0.125 0.000 2.729 779 T HA 0.437 4.664 4.350 -0.206 0.000 0.296 779 T C -0.101 174.635 174.700 0.059 0.000 0.928 779 T CA -0.214 61.925 62.100 0.065 0.000 1.045 779 T CB 0.254 69.153 68.868 0.051 0.000 0.902 779 T HN 0.358 nan 8.240 nan 0.000 0.500 780 L N 4.214 125.460 121.223 0.038 0.000 2.317 780 L HA 0.631 4.848 4.340 -0.206 0.000 0.281 780 L C -0.014 176.876 176.870 0.032 0.000 1.024 780 L CA -0.708 54.163 54.840 0.052 0.000 0.810 780 L CB 1.488 43.598 42.059 0.085 0.000 1.240 780 L HN 0.438 nan 8.230 nan 0.000 0.427 781 M N 2.950 122.586 119.600 0.060 0.000 2.326 781 M HA 0.456 4.812 4.480 -0.206 0.000 0.306 781 M C -1.041 175.327 176.300 0.114 0.000 1.054 781 M CA -0.379 54.960 55.300 0.065 0.000 0.922 781 M CB 2.706 35.328 32.600 0.037 0.000 1.632 781 M HN 0.559 nan 8.290 nan 0.000 0.436 782 E N 0.935 121.243 120.200 0.181 0.000 2.392 782 E HA 0.758 4.984 4.350 -0.206 0.000 0.269 782 E C -1.020 175.657 176.600 0.129 0.000 0.924 782 E CA -0.986 55.505 56.400 0.151 0.000 0.784 782 E CB 2.258 32.056 29.700 0.163 0.000 1.292 782 E HN 0.731 nan 8.360 nan 0.000 0.447 783 A N 0.946 123.810 122.820 0.075 0.000 2.351 783 A HA 0.573 4.769 4.320 -0.206 0.000 0.257 783 A C -0.183 177.431 177.584 0.048 0.000 1.087 783 A CA 0.046 52.117 52.037 0.056 0.000 0.798 783 A CB 0.973 19.992 19.000 0.032 0.000 1.033 783 A HN 0.305 nan 8.150 nan 0.000 0.488 784 S N -0.736 114.992 115.700 0.048 0.000 2.596 784 S HA 0.749 5.095 4.470 -0.206 0.000 0.270 784 S C -0.181 174.434 174.600 0.026 0.000 1.155 784 S CA 0.746 58.967 58.200 0.035 0.000 0.827 784 S CB 1.147 64.397 63.200 0.084 0.000 1.130 784 S HN 2.801 nan 8.310 nan 0.000 0.467 785 G N 2.928 111.737 108.800 0.014 0.000 2.757 785 G HA2 -0.103 3.733 3.960 -0.206 0.000 0.638 785 G HA3 -0.103 3.733 3.960 -0.206 0.000 0.638 785 G C -2.408 172.495 174.900 0.005 0.000 1.344 785 G CA -0.176 44.931 45.100 0.012 0.000 0.855 785 G HN 0.602 nan 8.290 nan 0.000 0.537 786 P HA -0.004 nan 4.420 nan 0.000 0.216 786 P C 2.007 179.309 177.300 0.003 0.000 1.153 786 P CA 2.763 65.864 63.100 0.002 0.000 0.848 786 P CB -0.135 31.567 31.700 0.003 0.000 0.787 787 T N -5.340 109.218 114.554 0.007 0.000 3.129 787 T HA 0.099 4.325 4.350 -0.206 0.000 0.251 787 T C 0.915 175.620 174.700 0.009 0.000 1.117 787 T CA -0.087 62.017 62.100 0.007 0.000 1.034 787 T CB -1.168 67.705 68.868 0.009 0.000 0.968 787 T HN 0.131 nan 8.240 nan 0.000 0.526 788 N N 0.754 119.461 118.700 0.010 0.000 2.741 788 N HA -0.193 4.424 4.740 -0.206 0.000 0.251 788 N C 0.260 175.782 175.510 0.020 0.000 1.112 788 N CA 1.060 54.118 53.050 0.013 0.000 0.750 788 N CB -0.677 37.816 38.487 0.009 0.000 1.119 788 N HN 0.685 nan 8.380 nan 0.000 0.561 789 E N -0.294 119.918 120.200 0.021 0.000 2.489 789 E HA 0.041 4.267 4.350 -0.206 0.000 0.204 789 E C -0.562 176.055 176.600 0.029 0.000 1.006 789 E CA -0.093 56.321 56.400 0.023 0.000 0.936 789 E CB 0.346 30.057 29.700 0.018 0.000 1.002 789 E HN 0.303 nan 8.360 nan 0.000 0.488 790 D N 0.989 121.410 120.400 0.035 0.000 2.283 790 D HA 0.105 4.622 4.640 -0.206 0.000 0.248 790 D C -0.273 176.065 176.300 0.063 0.000 1.072 790 D CA -0.202 53.825 54.000 0.045 0.000 0.929 790 D CB 1.573 42.401 40.800 0.047 0.000 1.182 790 D HN -0.002 nan 8.370 nan 0.000 0.433 791 L N 3.414 124.675 121.223 0.063 0.000 2.272 791 L HA 0.195 4.411 4.340 -0.206 0.000 0.284 791 L C -1.159 175.767 176.870 0.093 0.000 1.045 791 L CA -0.622 54.260 54.840 0.069 0.000 0.842 791 L CB -0.070 42.011 42.059 0.037 0.000 1.224 791 L HN 0.392 nan 8.230 nan 0.000 0.430 792 Y N 5.952 126.260 120.300 0.012 0.000 2.436 792 Y HA 0.324 4.886 4.550 0.019 0.000 0.336 792 Y C -0.405 175.503 175.900 0.015 0.000 1.049 792 Y CA 0.089 58.196 58.100 0.012 0.000 1.294 792 Y CB 0.757 39.222 38.460 0.009 0.000 1.179 792 Y HN 0.614 nan 8.280 nan 0.000 0.520 793 I N 5.754 125.979 120.570 -0.575 0.000 2.646 793 I HA 0.627 4.674 4.170 -0.206 0.000 0.299 793 I C -1.245 174.458 176.117 -0.690 0.000 1.036 793 I CA -0.402 60.619 61.300 -0.465 0.000 1.074 793 I CB 1.664 39.541 38.000 -0.204 0.000 1.258 793 I HN 0.684 nan 8.210 nan 0.000 0.430 794 S N 6.237 121.695 115.700 -0.403 0.000 2.562 794 S HA 0.543 4.890 4.470 -0.206 0.000 0.274 794 S C -1.447 173.099 174.600 -0.090 0.000 1.160 794 S CA -0.639 57.409 58.200 -0.254 0.000 0.933 794 S CB 0.936 64.013 63.200 -0.204 0.000 1.100 794 S HN 0.738 nan 8.310 nan 0.000 0.468 795 C N 3.180 122.446 119.300 -0.056 0.000 2.382 795 C HA 0.846 5.183 4.460 -0.206 0.000 0.327 795 C C 0.119 175.110 174.990 0.003 0.000 1.250 795 C CA -0.334 58.679 59.018 -0.008 0.000 1.707 795 C CB 0.934 28.666 27.740 -0.013 0.000 2.272 795 C HN 0.924 nan 8.230 nan 0.000 0.506 796 T N 4.775 119.347 114.554 0.030 0.000 2.833 796 T HA 0.460 4.687 4.350 -0.206 0.000 0.297 796 T C -0.413 174.302 174.700 0.024 0.000 1.015 796 T CA -0.160 61.941 62.100 0.001 0.000 0.963 796 T CB 0.526 69.374 68.868 -0.033 0.000 0.955 796 T HN 0.551 nan 8.240 nan 0.000 0.449 797 M N 4.928 124.531 119.600 0.004 0.000 2.027 797 M HA 0.291 4.648 4.480 -0.206 0.000 0.329 797 M C -2.106 174.186 176.300 -0.013 0.000 0.971 797 M CA -2.137 53.187 55.300 0.040 0.000 0.933 797 M CB 2.109 34.730 32.600 0.035 0.000 1.392 797 M HN 0.188 nan 8.290 nan 0.000 0.394 798 P HA 0.035 nan 4.420 nan 0.000 0.249 798 P C 0.181 177.455 177.300 -0.043 0.000 1.229 798 P CA 0.510 63.538 63.100 -0.120 0.000 0.788 798 P CB 0.240 31.757 31.700 -0.304 0.000 1.072 799 S N -1.537 114.176 115.700 0.022 0.000 2.701 799 S HA 0.295 4.642 4.470 -0.206 0.000 0.228 799 S C -0.117 174.518 174.600 0.059 0.000 0.948 799 S CA -0.576 57.648 58.200 0.039 0.000 1.129 799 S CB -1.262 61.977 63.200 0.065 0.000 1.352 799 S HN -0.095 nan 8.310 nan 0.000 0.446 800 I N 2.433 123.037 120.570 0.057 0.000 2.494 800 I HA 0.154 4.200 4.170 -0.206 0.000 0.289 800 I C 0.119 176.300 176.117 0.108 0.000 1.106 800 I CA 0.215 61.574 61.300 0.098 0.000 1.369 800 I CB 0.257 38.308 38.000 0.084 0.000 1.410 800 I HN 0.357 nan 8.210 nan 0.000 0.523 801 E N 7.372 127.667 120.200 0.159 0.000 2.089 801 E HA 0.639 4.865 4.350 -0.206 0.000 0.284 801 E C -0.588 176.042 176.600 0.051 0.000 1.023 801 E CA -0.097 56.365 56.400 0.104 0.000 0.819 801 E CB 1.649 31.416 29.700 0.111 0.000 1.076 801 E HN 0.476 nan 8.360 nan 0.000 0.396 802 I N 1.483 122.028 120.570 -0.041 0.000 3.066 802 I HA 0.702 4.749 4.170 -0.206 0.000 0.307 802 I C -0.891 175.146 176.117 -0.134 0.000 1.366 802 I CA -0.558 60.646 61.300 -0.160 0.000 0.972 802 I CB 2.297 40.215 38.000 -0.138 0.000 1.307 802 I HN 0.606 nan 8.210 nan 0.000 0.470 803 G N 0.260 108.959 108.800 -0.168 0.000 2.547 803 G HA2 0.427 4.264 3.960 -0.206 0.000 0.291 803 G HA3 0.427 4.264 3.960 -0.206 0.000 0.291 803 G C -0.544 174.277 174.900 -0.132 0.000 1.471 803 G CA 0.276 45.296 45.100 -0.133 0.000 0.798 803 G HN 0.617 nan 8.290 nan 0.000 0.504 804 T N -2.765 111.724 114.554 -0.110 0.000 3.145 804 T HA 0.490 4.716 4.350 -0.206 0.000 0.281 804 T C 0.320 174.975 174.700 -0.075 0.000 1.003 804 T CA 0.546 62.592 62.100 -0.090 0.000 0.901 804 T CB -0.230 68.592 68.868 -0.078 0.000 1.112 804 T HN 1.664 nan 8.240 nan 0.000 0.535 805 V N -2.520 117.347 119.914 -0.078 0.000 2.971 805 V HA 0.952 4.949 4.120 -0.206 0.000 0.309 805 V C 0.301 176.365 176.094 -0.049 0.000 1.130 805 V CA -0.378 61.887 62.300 -0.057 0.000 0.964 805 V CB 0.889 32.680 31.823 -0.053 0.000 1.029 805 V HN 0.895 nan 8.190 nan 0.000 0.427 806 G N 0.836 109.617 108.800 -0.031 0.000 2.756 806 G HA2 0.453 4.289 3.960 -0.206 0.000 0.678 806 G HA3 0.453 4.289 3.960 -0.206 0.000 0.678 806 G C 0.777 175.661 174.900 -0.025 0.000 1.349 806 G CA 0.251 45.338 45.100 -0.020 0.000 0.847 806 G HN 3.040 nan 8.290 nan 0.000 0.548 807 G N -0.513 108.278 108.800 -0.014 0.000 2.596 807 G HA2 0.186 4.022 3.960 -0.206 0.000 0.295 807 G HA3 0.186 4.022 3.960 -0.206 0.000 0.295 807 G C 1.805 176.698 174.900 -0.011 0.000 1.240 807 G CA 1.913 47.006 45.100 -0.012 0.000 0.985 807 G HN 2.533 nan 8.290 nan 0.000 0.555 808 G N -0.431 108.360 108.800 -0.014 0.000 2.920 808 G HA2 0.310 4.146 3.960 -0.206 0.000 0.208 808 G HA3 0.310 4.146 3.960 -0.206 0.000 0.208 808 G C 1.655 176.541 174.900 -0.023 0.000 1.159 808 G CA 1.901 46.995 45.100 -0.008 0.000 0.784 808 G HN 1.793 nan 8.290 nan 0.000 0.535 809 T N -2.399 112.132 114.554 -0.037 0.000 3.118 809 T HA 0.005 4.232 4.350 -0.206 0.000 0.260 809 T C 1.822 176.501 174.700 -0.035 0.000 1.139 809 T CA 0.432 62.506 62.100 -0.043 0.000 1.085 809 T CB -0.163 68.671 68.868 -0.057 0.000 0.934 809 T HN 0.162 nan 8.240 nan 0.000 0.518 810 N N 0.942 119.625 118.700 -0.028 0.000 2.459 810 N HA 0.102 4.718 4.740 -0.206 0.000 0.181 810 N C 0.316 175.802 175.510 -0.040 0.000 1.046 810 N CA 0.378 53.411 53.050 -0.029 0.000 0.904 810 N CB -0.100 38.375 38.487 -0.020 0.000 0.964 810 N HN 0.511 nan 8.380 nan 0.000 0.444 811 L N 1.166 122.367 121.223 -0.037 0.000 2.350 811 L HA 0.200 4.417 4.340 -0.206 0.000 0.275 811 L C 1.791 178.623 176.870 -0.065 0.000 1.099 811 L CA -0.406 54.401 54.840 -0.055 0.000 0.808 811 L CB 1.233 43.282 42.059 -0.017 0.000 1.149 811 L HN -0.077 nan 8.230 nan 0.000 0.442 812 L N 2.363 123.525 121.223 -0.102 0.000 2.056 812 L HA -0.090 4.126 4.340 -0.206 0.000 0.207 812 L C -0.393 176.436 176.870 -0.067 0.000 1.078 812 L CA 1.239 56.025 54.840 -0.090 0.000 0.749 812 L CB -1.362 40.624 42.059 -0.121 0.000 0.901 812 L HN 0.582 nan 8.230 nan 0.000 0.433 813 P HA -0.185 nan 4.420 nan 0.000 0.215 813 P C 1.435 178.722 177.300 -0.022 0.000 1.153 813 P CA 1.206 64.284 63.100 -0.036 0.000 0.853 813 P CB 0.082 31.772 31.700 -0.017 0.000 0.788 814 Q N -0.724 119.065 119.800 -0.019 0.000 2.119 814 Q HA -0.122 4.095 4.340 -0.206 0.000 0.201 814 Q C 2.274 178.260 176.000 -0.024 0.000 0.972 814 Q CA 1.338 57.131 55.803 -0.016 0.000 0.847 814 Q CB -0.616 28.113 28.738 -0.016 0.000 0.903 814 Q HN 0.387 nan 8.270 nan 0.000 0.433 815 Q N -0.764 119.018 119.800 -0.030 0.000 2.297 815 Q HA -0.026 4.190 4.340 -0.206 0.000 0.204 815 Q C 1.909 177.896 176.000 -0.022 0.000 0.962 815 Q CA 0.869 56.655 55.803 -0.029 0.000 0.879 815 Q CB -0.043 28.674 28.738 -0.034 0.000 0.947 815 Q HN 0.410 nan 8.270 nan 0.000 0.462 816 A N 0.216 123.023 122.820 -0.021 0.000 1.877 816 A HA -0.188 4.008 4.320 -0.206 0.000 0.216 816 A C 2.255 179.836 177.584 -0.005 0.000 1.186 816 A CA 1.200 53.228 52.037 -0.014 0.000 0.620 816 A CB -0.871 18.120 19.000 -0.016 0.000 0.822 816 A HN 0.468 nan 8.150 nan 0.000 0.443 817 C N -0.823 118.474 119.300 -0.005 0.000 2.440 817 C HA 0.010 4.346 4.460 -0.206 0.000 0.278 817 C C 2.630 177.620 174.990 0.001 0.000 1.295 817 C CA 0.894 59.914 59.018 0.002 0.000 1.738 817 C CB -1.454 26.288 27.740 0.002 0.000 1.987 817 C HN 0.616 nan 8.230 nan 0.000 0.492 818 L N 0.025 121.242 121.223 -0.010 0.000 2.141 818 L HA -0.189 4.027 4.340 -0.206 0.000 0.209 818 L C 2.714 179.585 176.870 0.001 0.000 1.094 818 L CA 1.399 56.230 54.840 -0.015 0.000 0.763 818 L CB -0.638 41.404 42.059 -0.029 0.000 0.908 818 L HN 0.444 nan 8.230 nan 0.000 0.437 819 Q N -0.758 119.044 119.800 0.004 0.000 2.172 819 Q HA -0.145 4.071 4.340 -0.206 0.000 0.200 819 Q C 2.346 178.364 176.000 0.029 0.000 0.964 819 Q CA 1.099 56.909 55.803 0.013 0.000 0.855 819 Q CB -0.008 28.732 28.738 0.003 0.000 0.918 819 Q HN 0.509 nan 8.270 nan 0.000 0.444 820 M N 0.094 119.712 119.600 0.031 0.000 2.106 820 M HA -0.219 4.137 4.480 -0.206 0.000 0.259 820 M C 1.654 178.009 176.300 0.091 0.000 1.068 820 M CA 1.519 56.847 55.300 0.048 0.000 1.100 820 M CB -0.103 32.523 32.600 0.043 0.000 1.351 820 M HN 0.223 nan 8.290 nan 0.000 0.404 821 L N -1.033 120.249 121.223 0.097 0.000 2.591 821 L HA 0.153 4.370 4.340 -0.206 0.000 0.228 821 L C 1.251 178.237 176.870 0.194 0.000 1.133 821 L CA 0.198 55.142 54.840 0.174 0.000 0.880 821 L CB -0.373 41.711 42.059 0.042 0.000 1.033 821 L HN 0.616 nan 8.230 nan 0.000 0.450 822 G N 0.611 109.478 108.800 0.111 0.000 2.147 822 G HA2 -0.266 3.570 3.960 -0.206 0.000 0.244 822 G HA3 -0.266 3.570 3.960 -0.206 0.000 0.244 822 G C 0.631 175.570 174.900 0.065 0.000 1.005 822 G CA 0.427 45.582 45.100 0.092 0.000 0.713 822 G HN 0.343 nan 8.290 nan 0.000 0.515 823 V N -3.182 116.752 119.914 0.034 0.000 3.477 823 V HA 0.461 4.457 4.120 -0.206 0.000 0.297 823 V C 0.882 176.966 176.094 -0.016 0.000 1.433 823 V CA 0.597 62.898 62.300 0.002 0.000 1.052 823 V CB 0.741 32.546 31.823 -0.030 0.000 0.895 823 V HN 0.444 nan 8.190 nan 0.000 0.438 824 Q N 2.050 121.844 119.800 -0.010 0.000 2.361 824 Q HA 0.435 4.651 4.340 -0.206 0.000 0.276 824 Q C 0.723 176.711 176.000 -0.021 0.000 1.022 824 Q CA 1.823 57.614 55.803 -0.020 0.000 0.898 824 Q CB 0.902 29.631 28.738 -0.014 0.000 1.246 824 Q HN 1.104 nan 8.270 nan 0.000 0.410 825 G N 2.144 110.927 108.800 -0.029 0.000 2.750 825 G HA2 -0.163 3.674 3.960 -0.206 0.000 0.228 825 G HA3 -0.163 3.674 3.960 -0.206 0.000 0.228 825 G C -0.726 174.156 174.900 -0.030 0.000 1.367 825 G CA -0.267 44.818 45.100 -0.025 0.000 0.871 825 G HN 1.052 nan 8.290 nan 0.000 0.560 826 A N -1.023 121.785 122.820 -0.020 0.000 2.366 826 A HA 0.524 4.721 4.320 -0.206 0.000 0.272 826 A C 0.926 178.506 177.584 -0.007 0.000 1.135 826 A CA 0.699 52.722 52.037 -0.023 0.000 0.804 826 A CB 0.495 19.501 19.000 0.010 0.000 1.064 826 A HN 2.323 nan 8.150 nan 0.000 0.499 827 C N 3.767 123.057 119.300 -0.016 0.000 2.619 827 C HA 0.284 4.620 4.460 -0.206 0.000 0.389 827 C C 1.402 176.407 174.990 0.024 0.000 1.314 827 C CA -0.365 58.654 59.018 0.002 0.000 1.678 827 C CB -1.516 26.221 27.740 -0.005 0.000 2.398 827 C HN 0.978 nan 8.230 nan 0.000 0.582 828 K N 2.624 123.043 120.400 0.031 0.000 2.167 828 K HA -0.009 4.188 4.320 -0.206 0.000 0.203 828 K C 1.207 177.834 176.600 0.045 0.000 1.052 828 K CA 1.591 57.905 56.287 0.044 0.000 0.956 828 K CB 0.052 32.573 32.500 0.035 0.000 0.735 828 K HN 0.701 nan 8.250 nan 0.000 0.451 829 D N -0.238 120.183 120.400 0.034 0.000 2.339 829 D HA 0.044 4.561 4.640 -0.206 0.000 0.217 829 D C -0.411 175.910 176.300 0.034 0.000 1.050 829 D CA 0.321 54.340 54.000 0.032 0.000 0.856 829 D CB 0.343 41.157 40.800 0.024 0.000 0.922 829 D HN -0.028 nan 8.370 nan 0.000 0.518 830 N N 0.168 118.890 118.700 0.037 0.000 2.946 830 N HA 0.096 4.712 4.740 -0.206 0.000 0.213 830 N C -2.903 172.626 175.510 0.033 0.000 1.440 830 N CA -1.069 52.003 53.050 0.036 0.000 0.745 830 N CB 0.907 39.409 38.487 0.025 0.000 1.471 830 N HN -0.229 nan 8.380 nan 0.000 0.569 831 P HA 0.115 nan 4.420 nan 0.000 0.253 831 P C 0.793 178.071 177.300 -0.037 0.000 1.170 831 P CA 1.242 64.370 63.100 0.047 0.000 0.806 831 P CB -0.067 31.765 31.700 0.219 0.000 0.775 832 G N 3.053 111.797 108.800 -0.093 0.000 2.205 832 G HA2 -0.198 3.638 3.960 -0.206 0.000 0.180 832 G HA3 -0.198 3.638 3.960 -0.206 0.000 0.180 832 G C 0.931 175.794 174.900 -0.062 0.000 1.004 832 G CA -0.036 44.999 45.100 -0.108 0.000 0.670 832 G HN 0.460 nan 8.290 nan 0.000 0.496 833 E N 0.649 120.826 120.200 -0.038 0.000 2.299 833 E HA 0.113 4.340 4.350 -0.206 0.000 0.193 833 E C 2.277 178.862 176.600 -0.026 0.000 0.998 833 E CA 1.103 57.490 56.400 -0.021 0.000 0.851 833 E CB -0.094 29.605 29.700 -0.002 0.000 0.795 833 E HN 0.414 nan 8.360 nan 0.000 0.492 834 N N 0.053 118.731 118.700 -0.036 0.000 2.216 834 N HA -0.081 4.535 4.740 -0.206 0.000 0.183 834 N C 1.486 176.960 175.510 -0.061 0.000 1.017 834 N CA 1.299 54.325 53.050 -0.040 0.000 0.861 834 N CB -0.295 38.169 38.487 -0.039 0.000 0.986 834 N HN 0.223 nan 8.380 nan 0.000 0.428 835 A N 1.244 124.019 122.820 -0.074 0.000 1.929 835 A HA -0.040 4.156 4.320 -0.206 0.000 0.216 835 A C 2.250 179.793 177.584 -0.069 0.000 1.176 835 A CA 0.881 52.868 52.037 -0.083 0.000 0.628 835 A CB -0.286 18.656 19.000 -0.096 0.000 0.816 835 A HN 0.189 nan 8.150 nan 0.000 0.444 836 R N -1.058 119.408 120.500 -0.056 0.000 2.081 836 R HA -0.162 4.054 4.340 -0.206 0.000 0.235 836 R C 2.467 178.736 176.300 -0.053 0.000 1.131 836 R CA 1.665 57.739 56.100 -0.044 0.000 0.960 836 R CB -0.228 30.054 30.300 -0.030 0.000 0.856 836 R HN 0.610 nan 8.270 nan 0.000 0.436 837 Q N 0.771 120.536 119.800 -0.058 0.000 2.119 837 Q HA -0.116 4.100 4.340 -0.206 0.000 0.201 837 Q C 1.817 177.723 176.000 -0.157 0.000 0.972 837 Q CA 1.242 56.994 55.803 -0.085 0.000 0.847 837 Q CB -0.117 28.592 28.738 -0.048 0.000 0.903 837 Q HN 0.238 nan 8.270 nan 0.000 0.433 838 L N -0.148 120.998 121.223 -0.129 0.000 2.109 838 L HA 0.136 4.352 4.340 -0.206 0.000 0.207 838 L C 2.019 178.827 176.870 -0.103 0.000 1.086 838 L CA 1.858 56.614 54.840 -0.140 0.000 0.760 838 L CB -0.908 41.085 42.059 -0.111 0.000 0.910 838 L HN 0.231 nan 8.230 nan 0.000 0.437 839 A N -0.335 122.443 122.820 -0.070 0.000 1.902 839 A HA -0.201 3.995 4.320 -0.206 0.000 0.217 839 A C 2.420 179.976 177.584 -0.047 0.000 1.181 839 A CA 1.662 53.681 52.037 -0.031 0.000 0.623 839 A CB -0.524 18.463 19.000 -0.021 0.000 0.818 839 A HN 0.463 nan 8.150 nan 0.000 0.443 840 R N -0.697 119.760 120.500 -0.073 0.000 2.091 840 R HA -0.077 4.139 4.340 -0.206 0.000 0.238 840 R C 1.974 178.204 176.300 -0.118 0.000 1.136 840 R CA 1.640 57.693 56.100 -0.077 0.000 0.959 840 R CB -0.506 29.753 30.300 -0.069 0.000 0.856 840 R HN 0.580 nan 8.270 nan 0.000 0.437 841 I N 0.167 120.615 120.570 -0.205 0.000 2.315 841 I HA -0.235 3.812 4.170 -0.206 0.000 0.248 841 I C 2.204 178.241 176.117 -0.134 0.000 1.117 841 I CA 0.928 62.068 61.300 -0.267 0.000 1.404 841 I CB -0.103 37.628 38.000 -0.448 0.000 1.071 841 I HN -0.031 nan 8.210 nan 0.000 0.419 842 V N -0.141 119.725 119.914 -0.080 0.000 2.358 842 V HA -0.337 3.659 4.120 -0.206 0.000 0.246 842 V C 2.522 178.592 176.094 -0.040 0.000 1.047 842 V CA 1.909 64.193 62.300 -0.028 0.000 1.035 842 V CB -0.452 31.398 31.823 0.046 0.000 0.658 842 V HN 0.649 nan 8.190 nan 0.000 0.452 843 C N 0.755 120.032 119.300 -0.039 0.000 2.440 843 C HA 0.006 4.343 4.460 -0.206 0.000 0.278 843 C C 2.875 177.841 174.990 -0.039 0.000 1.295 843 C CA 0.846 59.843 59.018 -0.035 0.000 1.738 843 C CB -1.448 26.276 27.740 -0.026 0.000 1.987 843 C HN 0.627 nan 8.230 nan 0.000 0.492 844 G N -0.651 108.124 108.800 -0.042 0.000 2.408 844 G HA2 -0.078 3.759 3.960 -0.206 0.000 0.215 844 G HA3 -0.078 3.759 3.960 -0.206 0.000 0.215 844 G C 1.762 176.646 174.900 -0.026 0.000 1.156 844 G CA 1.433 46.516 45.100 -0.028 0.000 0.793 844 G HN 0.528 nan 8.290 nan 0.000 0.535 845 T N 0.776 115.308 114.554 -0.036 0.000 2.904 845 T HA -0.032 4.194 4.350 -0.206 0.000 0.267 845 T C 2.475 177.141 174.700 -0.057 0.000 1.059 845 T CA 0.808 62.888 62.100 -0.034 0.000 1.137 845 T CB 0.003 68.851 68.868 -0.034 0.000 0.879 845 T HN 0.050 nan 8.240 nan 0.000 0.467 846 V N 1.555 121.425 119.914 -0.073 0.000 2.358 846 V HA -0.121 3.876 4.120 -0.206 0.000 0.246 846 V C 2.424 178.465 176.094 -0.088 0.000 1.047 846 V CA 1.559 63.794 62.300 -0.108 0.000 1.035 846 V CB -0.494 31.271 31.823 -0.096 0.000 0.658 846 V HN 0.473 nan 8.190 nan 0.000 0.452 847 M N -0.199 119.368 119.600 -0.055 0.000 2.117 847 M HA -0.172 4.184 4.480 -0.206 0.000 0.262 847 M C 2.151 178.434 176.300 -0.029 0.000 1.065 847 M CA 2.173 57.447 55.300 -0.043 0.000 1.114 847 M CB -0.272 32.300 32.600 -0.047 0.000 1.361 847 M HN 0.357 nan 8.290 nan 0.000 0.408 848 A N 0.035 122.841 122.820 -0.022 0.000 1.902 848 A HA -0.081 4.116 4.320 -0.206 0.000 0.217 848 A C 2.263 179.856 177.584 0.015 0.000 1.181 848 A CA 1.864 53.899 52.037 -0.003 0.000 0.623 848 A CB -1.694 17.308 19.000 0.003 0.000 0.818 848 A HN 0.628 nan 8.150 nan 0.000 0.443 849 G N -0.529 108.270 108.800 -0.002 0.000 2.422 849 G HA2 -0.199 3.637 3.960 -0.206 0.000 0.218 849 G HA3 -0.199 3.637 3.960 -0.206 0.000 0.218 849 G C 1.393 176.421 174.900 0.213 0.000 1.146 849 G CA 1.011 46.148 45.100 0.062 0.000 0.769 849 G HN 0.511 nan 8.290 nan 0.000 0.547 850 E N 0.373 120.617 120.200 0.073 0.000 2.072 850 E HA -0.008 4.218 4.350 -0.206 0.000 0.191 850 E C 2.669 179.313 176.600 0.074 0.000 0.985 850 E CA 0.230 56.691 56.400 0.103 0.000 0.801 850 E CB -0.407 29.314 29.700 0.034 0.000 0.750 850 E HN 0.395 nan 8.360 nan 0.000 0.452 851 L N 0.728 121.974 121.223 0.038 0.000 2.012 851 L HA -0.221 3.996 4.340 -0.206 0.000 0.210 851 L C 2.713 179.596 176.870 0.022 0.000 1.073 851 L CA 1.386 56.238 54.840 0.020 0.000 0.748 851 L CB -0.374 41.689 42.059 0.007 0.000 0.891 851 L HN 0.141 nan 8.230 nan 0.000 0.431 852 S N -0.333 115.385 115.700 0.031 0.000 2.357 852 S HA -0.167 4.180 4.470 -0.206 0.000 0.221 852 S C 1.836 176.415 174.600 -0.034 0.000 1.031 852 S CA 1.181 59.383 58.200 0.003 0.000 0.982 852 S CB -0.161 63.045 63.200 0.010 0.000 0.853 852 S HN 0.293 nan 8.310 nan 0.000 0.458 853 L N 1.506 122.713 121.223 -0.026 0.000 2.093 853 L HA 0.103 4.319 4.340 -0.206 0.000 0.208 853 L C 2.208 179.037 176.870 -0.068 0.000 1.085 853 L CA 1.750 56.516 54.840 -0.123 0.000 0.755 853 L CB -0.576 41.306 42.059 -0.294 0.000 0.904 853 L HN 0.300 nan 8.230 nan 0.000 0.435 854 M N -0.761 118.833 119.600 -0.010 0.000 2.175 854 M HA -0.059 4.298 4.480 -0.206 0.000 0.264 854 M C 2.389 178.697 176.300 0.013 0.000 1.063 854 M CA 1.500 56.804 55.300 0.007 0.000 1.119 854 M CB -1.503 31.112 32.600 0.025 0.000 1.377 854 M HN 0.437 nan 8.290 nan 0.000 0.415 855 A N 0.429 123.254 122.820 0.009 0.000 1.902 855 A HA 0.015 4.211 4.320 -0.206 0.000 0.217 855 A C 2.457 180.069 177.584 0.046 0.000 1.181 855 A CA 1.996 54.047 52.037 0.023 0.000 0.623 855 A CB -0.841 18.168 19.000 0.015 0.000 0.818 855 A HN 0.456 nan 8.150 nan 0.000 0.443 856 A N -0.146 122.664 122.820 -0.017 0.000 1.877 856 A HA -0.068 4.128 4.320 -0.206 0.000 0.216 856 A C 2.170 179.868 177.584 0.191 0.000 1.186 856 A CA 1.557 53.565 52.037 -0.049 0.000 0.620 856 A CB -0.670 18.101 19.000 -0.382 0.000 0.822 856 A HN 0.470 nan 8.150 nan 0.000 0.443 857 L N -0.846 120.414 121.223 0.062 0.000 2.083 857 L HA -0.188 4.029 4.340 -0.206 0.000 0.209 857 L C 3.022 179.934 176.870 0.071 0.000 1.083 857 L CA 1.045 55.925 54.840 0.065 0.000 0.752 857 L CB -0.460 41.610 42.059 0.018 0.000 0.899 857 L HN 0.445 nan 8.230 nan 0.000 0.433 858 A N -0.187 122.672 122.820 0.064 0.000 1.968 858 A HA 0.027 4.223 4.320 -0.206 0.000 0.217 858 A C 2.202 179.814 177.584 0.047 0.000 1.169 858 A CA 1.259 53.324 52.037 0.047 0.000 0.638 858 A CB -0.455 18.568 19.000 0.039 0.000 0.812 858 A HN 0.353 nan 8.150 nan 0.000 0.446 859 A N -1.057 121.812 122.820 0.083 0.000 2.327 859 A HA 0.442 4.639 4.320 -0.206 0.000 0.228 859 A C 1.424 178.975 177.584 -0.055 0.000 1.275 859 A CA 0.804 52.862 52.037 0.035 0.000 0.875 859 A CB -1.273 17.775 19.000 0.080 0.000 0.925 859 A HN 1.845 nan 8.150 nan 0.000 0.493 860 G N -0.207 108.585 108.800 -0.013 0.000 2.289 860 G HA2 -0.237 3.599 3.960 -0.206 0.000 0.280 860 G HA3 -0.237 3.599 3.960 -0.206 0.000 0.280 860 G C -0.298 174.539 174.900 -0.105 0.000 1.089 860 G CA 0.257 45.326 45.100 -0.052 0.000 0.939 860 G HN 0.775 nan 8.290 nan 0.000 0.499 861 H N -1.073 117.988 119.070 -0.016 0.000 2.604 861 H HA 0.563 4.996 4.556 -0.205 0.000 0.306 861 H C 0.308 175.623 175.328 -0.023 0.000 1.075 861 H CA -0.181 55.855 56.048 -0.020 0.000 1.357 861 H CB 1.023 30.770 29.762 -0.025 0.000 1.426 861 H HN 0.218 nan 8.280 nan 0.000 0.470 862 L N 5.392 126.662 121.223 0.078 0.000 2.488 862 L HA 0.254 4.471 4.340 -0.206 0.000 0.250 862 L C -0.019 176.874 176.870 0.037 0.000 1.280 862 L CA -0.394 54.470 54.840 0.041 0.000 0.929 862 L CB 0.340 42.407 42.059 0.013 0.000 1.200 862 L HN 0.445 nan 8.230 nan 0.000 0.495 863 V N -1.600 118.344 119.914 0.050 0.000 5.546 863 V HA 0.696 4.693 4.120 -0.206 0.000 0.279 863 V C 0.121 176.224 176.094 0.014 0.000 1.521 863 V CA -0.694 61.634 62.300 0.046 0.000 0.732 863 V CB 1.202 33.084 31.823 0.099 0.000 1.397 863 V HN 0.472 nan 8.190 nan 0.000 0.420 864 K N 0.000 120.403 120.400 0.005 0.000 2.780 864 K HA 0.000 4.196 4.320 -0.206 0.000 0.191 864 K CA 0.000 56.292 56.287 0.008 0.000 0.838 864 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 864 K HN 0.000 nan 8.250 nan 0.000 0.543