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 1a9x_1_H DATA FIRST_RESID 7502 DATA SEQUENCE IKSALLVLED GTQFHGRAIG ATGSAVGEVV FNTSMTGYQE ILTDPSYSRQ DATA SEQUENCE IVTLTYPHIG NVGTNDADEE SSQVHAQGLV IRDLPLIASN FRNTEDLSSY DATA SEQUENCE LKRHNIVAIA DIDTRKLTRL LREKGAQNGC IIAGDNPDAA LALEKARAFP DATA SEQUENCE GLNGMDLAKE VTTAEAYSWT QGSWTLTGGL PQAKKEDELP FHVVAYDFGA DATA SEQUENCE KRNILRMLVD RGCRLTIVPA QTSAEDVLKM NPDGIFLSNG PGDPAPCDYA DATA SEQUENCE ITAIQKFLET DIPVFGIXLG HQLLALASGA KTVKMKFGHH GGNHPVKDVE DATA SEQUENCE KNVVMITAQN HGFAVDEATL PANLRVTHKS LFDGTLQGIH RTDKPAFSFQ DATA SEQUENCE GNPEASPGPH DAAPLFDHFI ELIEQYRKT 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 7502 I HA 0.000 nan 4.170 nan 0.000 0.288 7502 I C 0.000 176.122 176.117 0.008 0.000 1.063 7502 I CA 0.000 61.303 61.300 0.005 0.000 1.566 7502 I CB 0.000 38.002 38.000 0.003 0.000 1.214 7503 K N 4.873 125.279 120.400 0.010 0.000 2.273 7503 K HA 0.463 4.785 4.320 0.002 0.000 0.287 7503 K C 0.015 176.625 176.600 0.017 0.000 1.089 7503 K CA -0.201 56.093 56.287 0.012 0.000 0.909 7503 K CB 1.196 33.703 32.500 0.010 0.000 1.123 7503 K HN 0.414 nan 8.250 nan 0.000 0.473 7504 S N 1.498 117.211 115.700 0.022 0.000 2.614 7504 S HA 0.672 5.144 4.470 0.002 0.000 0.265 7504 S C -0.292 174.328 174.600 0.033 0.000 1.303 7504 S CA -0.702 57.518 58.200 0.034 0.000 1.000 7504 S CB 1.226 64.453 63.200 0.044 0.000 0.935 7504 S HN 0.680 nan 8.310 nan 0.000 0.551 7505 A N 0.933 123.780 122.820 0.046 0.000 2.589 7505 A HA 0.724 5.045 4.320 0.002 0.000 0.296 7505 A C -1.695 175.914 177.584 0.042 0.000 1.062 7505 A CA -0.666 51.391 52.037 0.033 0.000 0.686 7505 A CB 1.199 20.207 19.000 0.015 0.000 1.282 7505 A HN 0.815 nan 8.150 nan 0.000 0.404 7506 L N 1.308 122.538 121.223 0.011 0.000 2.472 7506 L HA 0.916 5.257 4.340 0.002 0.000 0.260 7506 L C -2.014 174.836 176.870 -0.033 0.000 0.963 7506 L CA -0.568 54.251 54.840 -0.036 0.000 0.829 7506 L CB 2.022 44.055 42.059 -0.043 0.000 1.348 7506 L HN 1.008 nan 8.230 nan 0.000 0.408 7507 L N 5.080 126.286 121.223 -0.028 0.000 2.356 7507 L HA 0.884 5.225 4.340 0.002 0.000 0.277 7507 L C -1.582 175.325 176.870 0.061 0.000 0.996 7507 L CA -0.290 54.562 54.840 0.021 0.000 0.822 7507 L CB 1.924 43.999 42.059 0.026 0.000 1.256 7507 L HN 0.500 nan 8.230 nan 0.000 0.413 7508 V N 5.879 125.812 119.914 0.032 0.000 2.604 7508 V HA 0.516 4.638 4.120 0.002 0.000 0.305 7508 V C -0.082 176.042 176.094 0.051 0.000 1.043 7508 V CA -0.589 61.729 62.300 0.030 0.000 0.888 7508 V CB 1.931 33.748 31.823 -0.011 0.000 0.995 7508 V HN 0.697 nan 8.190 nan 0.000 0.429 7509 L N 2.357 123.622 121.223 0.070 0.000 2.344 7509 L HA 0.505 4.846 4.340 0.002 0.000 0.272 7509 L C 1.503 178.398 176.870 0.042 0.000 1.035 7509 L CA -0.447 54.433 54.840 0.068 0.000 0.807 7509 L CB 1.110 43.233 42.059 0.106 0.000 1.237 7509 L HN 0.658 nan 8.230 nan 0.000 0.442 7510 E N 0.951 121.179 120.200 0.046 0.000 2.136 7510 E HA -0.298 4.053 4.350 0.002 0.000 0.202 7510 E C 1.180 177.802 176.600 0.037 0.000 1.019 7510 E CA 2.082 58.510 56.400 0.048 0.000 0.819 7510 E CB 0.106 29.843 29.700 0.061 0.000 0.739 7510 E HN 0.847 nan 8.360 nan 0.000 0.458 7511 D N -1.280 119.141 120.400 0.036 0.000 2.378 7511 D HA -0.063 4.578 4.640 0.002 0.000 0.222 7511 D C 1.239 177.543 176.300 0.006 0.000 0.980 7511 D CA 1.068 55.083 54.000 0.024 0.000 0.907 7511 D CB -0.093 40.724 40.800 0.027 0.000 0.899 7511 D HN 0.291 nan 8.370 nan 0.000 0.527 7512 G N -0.784 108.018 108.800 0.004 0.000 2.141 7512 G HA2 -0.246 3.716 3.960 0.002 0.000 0.242 7512 G HA3 -0.246 3.716 3.960 0.002 0.000 0.242 7512 G C 0.234 175.103 174.900 -0.053 0.000 0.982 7512 G CA 0.266 45.356 45.100 -0.016 0.000 0.662 7512 G HN 0.473 nan 8.290 nan 0.000 0.527 7513 T N 1.637 116.154 114.554 -0.061 0.000 2.870 7513 T HA 0.483 4.834 4.350 0.002 0.000 0.300 7513 T C 0.399 174.934 174.700 -0.275 0.000 0.989 7513 T CA 0.272 62.265 62.100 -0.179 0.000 1.139 7513 T CB 1.224 69.983 68.868 -0.181 0.000 0.920 7513 T HN 0.487 nan 8.240 nan 0.000 0.537 7514 Q N 1.806 121.360 119.800 -0.411 0.000 2.266 7514 Q HA 0.598 4.940 4.340 0.002 0.000 0.261 7514 Q C -1.226 174.341 176.000 -0.720 0.000 0.985 7514 Q CA -0.645 54.900 55.803 -0.430 0.000 0.873 7514 Q CB 1.665 30.219 28.738 -0.307 0.000 1.306 7514 Q HN 0.571 nan 8.270 nan 0.000 0.447 7515 F N 1.082 120.843 119.950 -0.315 0.000 2.579 7515 F HA 0.306 4.834 4.527 0.002 0.000 0.325 7515 F C -0.162 175.433 175.800 -0.341 0.000 1.162 7515 F CA -0.787 57.078 58.000 -0.226 0.000 0.946 7515 F CB 1.329 40.250 39.000 -0.131 0.000 1.211 7515 F HN 0.425 nan 8.300 nan 0.000 0.447 7516 H N 1.811 120.946 119.070 0.108 0.000 2.473 7516 H HA 0.766 5.323 4.556 0.002 0.000 0.327 7516 H C 0.243 175.602 175.328 0.052 0.000 1.105 7516 H CA -0.380 55.703 56.048 0.058 0.000 1.280 7516 H CB 1.910 31.684 29.762 0.019 0.000 1.450 7516 H HN 0.871 nan 8.280 nan 0.000 0.492 7517 G N 1.469 110.347 108.800 0.130 0.000 2.772 7517 G HA2 0.340 4.301 3.960 0.002 0.000 0.284 7517 G HA3 0.340 4.301 3.960 0.002 0.000 0.284 7517 G C -1.168 173.761 174.900 0.048 0.000 1.217 7517 G CA -0.837 44.306 45.100 0.073 0.000 0.831 7517 G HN 0.490 nan 8.290 nan 0.000 0.523 7518 R N -0.160 120.353 120.500 0.022 0.000 2.562 7518 R HA 0.669 5.010 4.340 0.002 0.000 0.298 7518 R C -0.270 176.033 176.300 0.005 0.000 0.961 7518 R CA -0.437 55.671 56.100 0.014 0.000 0.881 7518 R CB 1.636 31.940 30.300 0.007 0.000 1.159 7518 R HN 0.740 nan 8.270 nan 0.000 0.450 7519 A N 5.254 128.079 122.820 0.008 0.000 2.409 7519 A HA 0.276 4.597 4.320 0.002 0.000 0.267 7519 A C 0.828 178.414 177.584 0.003 0.000 1.127 7519 A CA -0.487 51.552 52.037 0.004 0.000 0.795 7519 A CB -0.248 18.756 19.000 0.008 0.000 1.061 7519 A HN 0.904 nan 8.150 nan 0.000 0.502 7520 I N 0.328 120.899 120.570 0.000 0.000 4.154 7520 I HA 0.439 4.610 4.170 0.002 0.000 0.334 7520 I C 0.738 176.863 176.117 0.013 0.000 1.371 7520 I CA 0.151 61.453 61.300 0.003 0.000 1.110 7520 I CB 0.305 38.300 38.000 -0.008 0.000 1.085 7520 I HN 0.518 nan 8.210 nan 0.000 0.398 7521 G N 1.209 110.017 108.800 0.013 0.000 3.247 7521 G HA2 0.757 4.718 3.960 0.002 0.000 0.163 7521 G HA3 0.757 4.718 3.960 0.002 0.000 0.163 7521 G C -0.385 174.525 174.900 0.016 0.000 1.206 7521 G CA -0.094 45.019 45.100 0.022 0.000 0.918 7521 G HN 0.312 nan 8.290 nan 0.000 0.625 7522 A N -0.866 121.962 122.820 0.013 0.000 2.287 7522 A HA 0.634 4.956 4.320 0.002 0.000 0.273 7522 A C 0.410 177.997 177.584 0.005 0.000 1.091 7522 A CA 0.018 52.059 52.037 0.006 0.000 0.817 7522 A CB 0.022 19.024 19.000 0.003 0.000 1.069 7522 A HN 0.547 nan 8.150 nan 0.000 0.492 7523 T N 0.260 114.815 114.554 0.003 0.000 2.909 7523 T HA 0.644 4.995 4.350 0.002 0.000 0.289 7523 T C 0.576 175.278 174.700 0.003 0.000 1.005 7523 T CA 0.637 62.739 62.100 0.004 0.000 1.084 7523 T CB 1.189 70.060 68.868 0.004 0.000 0.975 7523 T HN 1.921 nan 8.240 nan 0.000 0.509 7524 G N 1.202 110.005 108.800 0.004 0.000 2.302 7524 G HA2 0.367 4.328 3.960 0.002 0.000 0.276 7524 G HA3 0.367 4.328 3.960 0.002 0.000 0.276 7524 G C -0.839 174.063 174.900 0.004 0.000 1.316 7524 G CA -0.242 44.861 45.100 0.005 0.000 0.988 7524 G HN 1.176 nan 8.290 nan 0.000 0.479 7525 S N -0.886 114.816 115.700 0.003 0.000 2.570 7525 S HA 1.000 5.471 4.470 0.002 0.000 0.286 7525 S C -0.292 174.306 174.600 -0.004 0.000 1.099 7525 S CA 0.680 58.880 58.200 0.000 0.000 0.913 7525 S CB 1.856 65.060 63.200 0.006 0.000 1.085 7525 S HN 2.517 nan 8.310 nan 0.000 0.480 7526 A N 1.676 124.486 122.820 -0.017 0.000 2.486 7526 A HA 0.826 5.147 4.320 0.002 0.000 0.300 7526 A C -1.351 176.197 177.584 -0.060 0.000 1.048 7526 A CA -0.704 51.315 52.037 -0.031 0.000 0.696 7526 A CB 1.771 20.749 19.000 -0.037 0.000 1.278 7526 A HN 1.202 nan 8.150 nan 0.000 0.405 7527 V N 0.852 120.713 119.914 -0.089 0.000 2.808 7527 V HA 0.912 5.033 4.120 0.002 0.000 0.308 7527 V C 0.450 176.280 176.094 -0.439 0.000 1.099 7527 V CA 0.440 62.628 62.300 -0.186 0.000 0.920 7527 V CB 1.753 33.529 31.823 -0.079 0.000 1.014 7527 V HN 1.924 nan 8.190 nan 0.000 0.425 7528 G N 2.873 111.261 108.800 -0.687 0.000 2.340 7528 G HA2 0.441 4.402 3.960 0.002 0.000 0.299 7528 G HA3 0.441 4.402 3.960 0.002 0.000 0.299 7528 G C -1.503 172.965 174.900 -0.720 0.000 1.291 7528 G CA -0.596 43.867 45.100 -1.063 0.000 0.841 7528 G HN 0.756 nan 8.290 nan 0.000 0.500 7529 E N -0.256 119.697 120.200 -0.412 0.000 2.289 7529 E HA 0.466 4.817 4.350 0.002 0.000 0.278 7529 E C -0.316 176.226 176.600 -0.096 0.000 1.032 7529 E CA -0.506 55.825 56.400 -0.116 0.000 0.854 7529 E CB 1.206 30.950 29.700 0.073 0.000 1.046 7529 E HN 0.280 nan 8.360 nan 0.000 0.409 7530 V N 5.902 125.773 119.914 -0.070 0.000 2.461 7530 V HA 0.291 4.412 4.120 0.002 0.000 0.275 7530 V C 0.195 176.261 176.094 -0.047 0.000 1.047 7530 V CA -0.354 61.905 62.300 -0.068 0.000 0.955 7530 V CB 0.728 32.520 31.823 -0.052 0.000 0.988 7530 V HN 0.573 nan 8.190 nan 0.000 0.471 7531 V N 2.956 122.814 119.914 -0.093 0.000 3.040 7531 V HA 0.827 4.949 4.120 0.002 0.000 0.312 7531 V C -0.923 175.102 176.094 -0.115 0.000 1.115 7531 V CA -1.054 61.151 62.300 -0.158 0.000 0.998 7531 V CB 2.107 33.703 31.823 -0.378 0.000 1.042 7531 V HN 0.736 nan 8.190 nan 0.000 0.433 7532 F N 1.288 121.162 119.950 -0.127 0.000 2.495 7532 F HA 0.787 5.316 4.527 0.002 0.000 0.327 7532 F C -0.721 175.102 175.800 0.040 0.000 1.103 7532 F CA -1.048 56.904 58.000 -0.080 0.000 0.949 7532 F CB 1.656 40.600 39.000 -0.094 0.000 1.142 7532 F HN 0.674 nan 8.300 nan 0.000 0.457 7533 N N 2.314 121.153 118.700 0.232 0.000 2.399 7533 N HA 0.174 4.915 4.740 0.002 0.000 0.280 7533 N C 0.192 175.877 175.510 0.291 0.000 1.008 7533 N CA -0.111 53.092 53.050 0.254 0.000 0.894 7533 N CB 2.024 40.608 38.487 0.161 0.000 1.273 7533 N HN 0.916 nan 8.380 nan 0.000 0.486 7534 T N -0.628 114.120 114.554 0.324 0.000 3.219 7534 T HA 0.126 4.477 4.350 0.002 0.000 0.249 7534 T C 0.192 175.013 174.700 0.202 0.000 1.099 7534 T CA -0.250 62.009 62.100 0.265 0.000 0.988 7534 T CB -0.413 68.623 68.868 0.280 0.000 0.999 7534 T HN 0.265 nan 8.240 nan 0.000 0.550 7535 S N 2.061 117.873 115.700 0.188 0.000 2.498 7535 S HA 0.252 4.723 4.470 0.002 0.000 0.281 7535 S C 1.095 175.771 174.600 0.127 0.000 1.265 7535 S CA -0.354 57.933 58.200 0.144 0.000 1.071 7535 S CB 0.417 63.700 63.200 0.139 0.000 0.894 7535 S HN 0.454 nan 8.310 nan 0.000 0.491 7536 M N 2.106 121.733 119.600 0.046 0.000 2.562 7536 M HA -0.004 4.478 4.480 0.002 0.000 0.257 7536 M C 0.914 177.175 176.300 -0.066 0.000 1.099 7536 M CA 0.467 55.709 55.300 -0.096 0.000 1.099 7536 M CB -0.277 32.119 32.600 -0.340 0.000 1.427 7536 M HN 0.740 nan 8.290 nan 0.000 0.489 7537 T N -3.947 110.618 114.554 0.018 0.000 2.887 7537 T HA 0.663 5.014 4.350 0.002 0.000 0.292 7537 T C 0.622 175.338 174.700 0.027 0.000 1.087 7537 T CA -0.193 61.926 62.100 0.032 0.000 1.009 7537 T CB 1.808 70.662 68.868 -0.024 0.000 1.203 7537 T HN 0.276 nan 8.240 nan 0.000 0.518 7538 G N 0.763 109.511 108.800 -0.086 0.000 2.256 7538 G HA2 -0.287 3.674 3.960 0.002 0.000 0.272 7538 G HA3 -0.287 3.674 3.960 0.002 0.000 0.272 7538 G C 0.276 175.085 174.900 -0.152 0.000 1.076 7538 G CA 0.719 45.717 45.100 -0.170 0.000 0.882 7538 G HN 1.351 nan 8.290 nan 0.000 0.497 7539 Y N -2.342 117.947 120.300 -0.018 0.000 2.373 7539 Y HA 0.052 4.603 4.550 0.002 0.000 0.293 7539 Y C 2.403 178.272 175.900 -0.051 0.000 1.129 7539 Y CA 1.579 59.665 58.100 -0.023 0.000 1.226 7539 Y CB -0.418 38.033 38.460 -0.015 0.000 1.000 7539 Y HN 0.441 nan 8.280 nan 0.000 0.549 7540 Q N 0.881 120.348 119.800 -0.555 0.000 2.016 7540 Q HA -0.200 4.142 4.340 0.002 0.000 0.200 7540 Q C 1.793 177.707 176.000 -0.143 0.000 0.978 7540 Q CA 2.027 57.632 55.803 -0.330 0.000 0.833 7540 Q CB 0.021 28.464 28.738 -0.491 0.000 0.895 7540 Q HN 0.618 nan 8.270 nan 0.000 0.427 7541 E N 0.565 120.673 120.200 -0.154 0.000 2.097 7541 E HA -0.204 4.147 4.350 0.002 0.000 0.196 7541 E C 1.867 178.502 176.600 0.059 0.000 1.000 7541 E CA 1.557 57.930 56.400 -0.044 0.000 0.804 7541 E CB -0.179 29.487 29.700 -0.057 0.000 0.740 7541 E HN 0.416 nan 8.360 nan 0.000 0.454 7542 I N 0.327 120.943 120.570 0.076 0.000 2.179 7542 I HA -0.265 3.906 4.170 0.002 0.000 0.242 7542 I C 2.153 178.374 176.117 0.174 0.000 1.088 7542 I CA 0.957 62.365 61.300 0.181 0.000 1.357 7542 I CB -0.195 37.866 38.000 0.103 0.000 1.051 7542 I HN 0.096 nan 8.210 nan 0.000 0.409 7543 L N 0.211 121.485 121.223 0.085 0.000 2.083 7543 L HA -0.187 4.154 4.340 0.002 0.000 0.209 7543 L C 2.299 179.280 176.870 0.184 0.000 1.083 7543 L CA 1.844 56.743 54.840 0.098 0.000 0.752 7543 L CB -0.790 41.332 42.059 0.105 0.000 0.899 7543 L HN 0.439 nan 8.230 nan 0.000 0.433 7544 T N -4.650 110.011 114.554 0.178 0.000 3.163 7544 T HA 0.033 4.385 4.350 0.002 0.000 0.252 7544 T C 0.307 175.143 174.700 0.227 0.000 1.056 7544 T CA -0.486 61.754 62.100 0.233 0.000 0.947 7544 T CB -0.318 68.651 68.868 0.169 0.000 1.016 7544 T HN 0.015 nan 8.240 nan 0.000 0.554 7545 D N 2.407 122.931 120.400 0.207 0.000 2.317 7545 D HA 0.253 4.895 4.640 0.002 0.000 0.252 7545 D C -1.542 174.739 176.300 -0.032 0.000 1.174 7545 D CA -2.614 51.444 54.000 0.097 0.000 0.866 7545 D CB 1.887 42.792 40.800 0.175 0.000 1.127 7545 D HN -0.019 nan 8.370 nan 0.000 0.467 7546 P HA -0.119 nan 4.420 nan 0.000 0.218 7546 P C 1.187 178.410 177.300 -0.128 0.000 1.148 7546 P CA 0.838 63.638 63.100 -0.499 0.000 0.822 7546 P CB 0.165 31.555 31.700 -0.516 0.000 0.784 7547 S N -1.760 113.861 115.700 -0.132 0.000 2.462 7547 S HA -0.182 4.289 4.470 0.002 0.000 0.243 7547 S C 1.151 175.650 174.600 -0.169 0.000 1.003 7547 S CA 1.132 59.234 58.200 -0.163 0.000 0.970 7547 S CB -1.080 61.965 63.200 -0.257 0.000 0.762 7547 S HN 0.249 nan 8.310 nan 0.000 0.510 7548 Y N 1.422 121.772 120.300 0.083 0.000 2.466 7548 Y HA 0.341 4.893 4.550 0.002 0.000 0.272 7548 Y C 1.341 177.312 175.900 0.119 0.000 1.169 7548 Y CA -0.878 57.278 58.100 0.092 0.000 1.285 7548 Y CB -0.434 38.072 38.460 0.076 0.000 1.078 7548 Y HN 0.066 nan 8.280 nan 0.000 0.523 7549 S N 1.444 117.298 115.700 0.258 0.000 2.558 7549 S HA 0.003 4.474 4.470 0.002 0.000 0.293 7549 S C 0.907 175.633 174.600 0.210 0.000 1.292 7549 S CA -0.180 58.168 58.200 0.248 0.000 1.063 7549 S CB 0.103 63.448 63.200 0.242 0.000 0.831 7549 S HN 0.559 nan 8.310 nan 0.000 0.499 7550 R N 0.937 121.547 120.500 0.183 0.000 3.875 7550 R HA -0.165 4.177 4.340 0.002 0.000 0.321 7550 R C -0.464 175.894 176.300 0.096 0.000 1.196 7550 R CA 1.007 57.212 56.100 0.174 0.000 0.868 7550 R CB -2.382 28.109 30.300 0.319 0.000 1.333 7550 R HN 0.801 nan 8.270 nan 0.000 0.522 7551 Q N -0.049 119.808 119.800 0.095 0.000 2.365 7551 Q HA 0.604 4.945 4.340 0.002 0.000 0.269 7551 Q C -0.312 175.677 176.000 -0.019 0.000 1.061 7551 Q CA -0.718 55.116 55.803 0.051 0.000 0.816 7551 Q CB 2.137 30.980 28.738 0.175 0.000 1.325 7551 Q HN 0.141 nan 8.270 nan 0.000 0.446 7552 I N 2.945 123.465 120.570 -0.083 0.000 2.304 7552 I HA 0.226 4.397 4.170 0.002 0.000 0.291 7552 I C -0.611 175.426 176.117 -0.133 0.000 1.018 7552 I CA -0.691 60.545 61.300 -0.106 0.000 1.260 7552 I CB 1.236 39.161 38.000 -0.125 0.000 1.390 7552 I HN 0.290 nan 8.210 nan 0.000 0.475 7553 V N 5.971 125.782 119.914 -0.173 0.000 2.432 7553 V HA 0.200 4.321 4.120 0.002 0.000 0.271 7553 V C 0.379 176.372 176.094 -0.170 0.000 1.046 7553 V CA -0.198 61.956 62.300 -0.244 0.000 0.945 7553 V CB 1.090 32.671 31.823 -0.402 0.000 0.992 7553 V HN 0.684 nan 8.190 nan 0.000 0.471 7554 T N 7.018 121.491 114.554 -0.134 0.000 2.756 7554 T HA 0.549 4.900 4.350 0.002 0.000 0.290 7554 T C -0.255 174.425 174.700 -0.035 0.000 0.985 7554 T CA -0.320 61.723 62.100 -0.094 0.000 0.955 7554 T CB 0.681 69.495 68.868 -0.091 0.000 0.930 7554 T HN 0.353 nan 8.240 nan 0.000 0.451 7555 L N 3.653 124.848 121.223 -0.045 0.000 2.264 7555 L HA 0.291 4.632 4.340 0.002 0.000 0.289 7555 L C 2.127 178.992 176.870 -0.008 0.000 1.044 7555 L CA -0.664 54.182 54.840 0.009 0.000 0.807 7555 L CB 1.374 43.441 42.059 0.014 0.000 1.192 7555 L HN 0.834 nan 8.230 nan 0.000 0.425 7556 T N 0.068 114.650 114.554 0.046 0.000 2.788 7556 T HA -0.221 4.130 4.350 0.002 0.000 0.268 7556 T C 0.701 175.406 174.700 0.010 0.000 1.044 7556 T CA 0.721 62.823 62.100 0.003 0.000 1.139 7556 T CB -0.256 68.625 68.868 0.021 0.000 0.867 7556 T HN 0.335 nan 8.240 nan 0.000 0.454 7557 Y N 5.088 125.376 120.300 -0.021 0.000 2.605 7557 Y HA 0.265 4.816 4.550 0.001 0.000 0.336 7557 Y C -1.570 174.283 175.900 -0.077 0.000 1.111 7557 Y CA -3.122 54.963 58.100 -0.025 0.000 1.422 7557 Y CB 0.957 39.432 38.460 0.025 0.000 1.193 7557 Y HN 0.024 nan 8.280 nan 0.000 0.526 7558 P HA -0.197 nan 4.420 nan 0.000 0.216 7558 P C -0.283 176.548 177.300 -0.781 0.000 1.153 7558 P CA 1.674 64.292 63.100 -0.804 0.000 0.858 7558 P CB 0.149 31.383 31.700 -0.777 0.000 0.789 7559 H N 0.196 118.828 119.070 -0.729 0.000 2.741 7559 H HA 0.255 4.812 4.556 0.002 0.000 0.282 7559 H C 0.140 175.400 175.328 -0.113 0.000 1.122 7559 H CA -0.476 55.403 56.048 -0.282 0.000 1.293 7559 H CB 0.267 29.966 29.762 -0.106 0.000 1.415 7559 H HN 0.043 nan 8.280 nan 0.000 0.472 7560 I N 1.487 121.999 120.570 -0.095 0.000 2.362 7560 I HA 0.249 4.420 4.170 0.002 0.000 0.289 7560 I C 1.238 177.060 176.117 -0.493 0.000 0.994 7560 I CA -0.136 60.989 61.300 -0.292 0.000 1.158 7560 I CB 1.307 39.146 38.000 -0.268 0.000 1.315 7560 I HN 0.879 nan 8.210 nan 0.000 0.451 7561 G N 5.223 113.500 108.800 -0.871 0.000 2.183 7561 G HA2 -0.228 3.733 3.960 0.002 0.000 0.168 7561 G HA3 -0.228 3.733 3.960 0.002 0.000 0.168 7561 G C 0.726 175.556 174.900 -0.116 0.000 1.008 7561 G CA -0.309 44.438 45.100 -0.588 0.000 0.677 7561 G HN 0.485 nan 8.290 nan 0.000 0.498 7562 N N 0.358 119.050 118.700 -0.013 0.000 2.258 7562 N HA -0.092 4.649 4.740 0.002 0.000 0.187 7562 N C 2.205 177.775 175.510 0.101 0.000 1.012 7562 N CA 2.055 55.144 53.050 0.065 0.000 0.870 7562 N CB -0.136 38.409 38.487 0.097 0.000 0.977 7562 N HN 1.148 nan 8.380 nan 0.000 0.434 7563 V N -4.126 115.905 119.914 0.196 0.000 3.319 7563 V HA 0.567 4.688 4.120 0.002 0.000 0.317 7563 V C 1.111 177.256 176.094 0.084 0.000 1.411 7563 V CA 0.030 62.395 62.300 0.109 0.000 1.112 7563 V CB -0.269 31.581 31.823 0.045 0.000 1.031 7563 V HN 0.284 nan 8.190 nan 0.000 0.448 7564 G N 1.679 110.567 108.800 0.146 0.000 2.566 7564 G HA2 -0.124 3.837 3.960 0.002 0.000 0.280 7564 G HA3 -0.124 3.837 3.960 0.002 0.000 0.280 7564 G C 0.153 175.076 174.900 0.039 0.000 1.225 7564 G CA 0.985 46.136 45.100 0.083 0.000 0.966 7564 G HN 1.913 nan 8.290 nan 0.000 0.560 7565 T N -2.307 112.202 114.554 -0.076 0.000 2.816 7565 T HA 0.722 5.073 4.350 0.002 0.000 0.299 7565 T C -0.691 173.915 174.700 -0.157 0.000 1.230 7565 T CA 0.235 62.202 62.100 -0.223 0.000 1.007 7565 T CB 2.152 70.719 68.868 -0.502 0.000 1.289 7565 T HN 2.452 nan 8.240 nan 0.000 0.508 7566 N N -1.124 117.469 118.700 -0.178 0.000 2.859 7566 N HA 0.362 5.103 4.740 0.002 0.000 0.250 7566 N C -0.558 174.916 175.510 -0.060 0.000 1.341 7566 N CA -0.755 52.241 53.050 -0.090 0.000 0.881 7566 N CB 0.801 39.217 38.487 -0.117 0.000 1.516 7566 N HN 0.351 nan 8.380 nan 0.000 0.503 7567 D N 0.385 120.794 120.400 0.016 0.000 2.144 7567 D HA -0.055 4.586 4.640 0.002 0.000 0.199 7567 D C 1.806 178.122 176.300 0.027 0.000 0.984 7567 D CA 1.899 55.933 54.000 0.056 0.000 0.834 7567 D CB -0.466 40.383 40.800 0.082 0.000 0.955 7567 D HN 0.694 nan 8.370 nan 0.000 0.465 7568 A N 0.791 123.607 122.820 -0.007 0.000 2.070 7568 A HA -0.134 4.187 4.320 0.002 0.000 0.220 7568 A C 1.039 178.544 177.584 -0.132 0.000 1.159 7568 A CA 1.184 53.200 52.037 -0.035 0.000 0.656 7568 A CB -0.112 18.866 19.000 -0.036 0.000 0.800 7568 A HN 0.045 nan 8.150 nan 0.000 0.453 7569 D N 0.457 120.756 120.400 -0.169 0.000 2.370 7569 D HA 0.120 4.761 4.640 0.002 0.000 0.230 7569 D C -0.256 175.975 176.300 -0.115 0.000 1.143 7569 D CA 0.124 54.003 54.000 -0.202 0.000 0.834 7569 D CB 0.045 40.665 40.800 -0.300 0.000 0.944 7569 D HN 0.550 nan 8.370 nan 0.000 0.504 7570 E N 0.937 121.121 120.200 -0.027 0.000 2.134 7570 E HA 0.103 4.454 4.350 0.002 0.000 0.278 7570 E C 0.596 177.239 176.600 0.071 0.000 0.959 7570 E CA -0.310 56.117 56.400 0.046 0.000 0.783 7570 E CB 1.392 31.157 29.700 0.108 0.000 1.095 7570 E HN -0.110 nan 8.360 nan 0.000 0.399 7571 E N 1.082 121.326 120.200 0.074 0.000 2.489 7571 E HA 0.010 4.361 4.350 0.002 0.000 0.193 7571 E C 0.060 176.718 176.600 0.097 0.000 1.057 7571 E CA 0.243 56.687 56.400 0.073 0.000 0.866 7571 E CB 0.381 30.113 29.700 0.053 0.000 0.916 7571 E HN 0.479 nan 8.360 nan 0.000 0.500 7572 S N -2.212 113.575 115.700 0.145 0.000 2.615 7572 S HA 0.155 4.627 4.470 0.002 0.000 0.268 7572 S C 0.842 175.574 174.600 0.220 0.000 1.146 7572 S CA -0.067 58.245 58.200 0.187 0.000 0.818 7572 S CB 0.994 64.302 63.200 0.179 0.000 1.111 7572 S HN -0.079 nan 8.310 nan 0.000 0.465 7573 S N 0.459 116.296 115.700 0.227 0.000 2.440 7573 S HA -0.028 4.443 4.470 0.002 0.000 0.238 7573 S C 0.729 175.446 174.600 0.195 0.000 1.010 7573 S CA 1.288 59.601 58.200 0.189 0.000 0.972 7573 S CB -1.006 62.286 63.200 0.154 0.000 0.774 7573 S HN 1.027 nan 8.310 nan 0.000 0.501 7574 Q N -0.989 118.946 119.800 0.226 0.000 2.687 7574 Q HA 0.690 5.032 4.340 0.002 0.000 0.305 7574 Q C -1.569 174.501 176.000 0.116 0.000 1.006 7574 Q CA -1.203 54.673 55.803 0.123 0.000 0.763 7574 Q CB 1.570 30.280 28.738 -0.046 0.000 1.506 7574 Q HN -0.057 nan 8.270 nan 0.000 0.459 7575 V N 2.418 122.322 119.914 -0.017 0.000 2.405 7575 V HA 0.048 4.169 4.120 0.002 0.000 0.264 7575 V C 0.598 176.683 176.094 -0.015 0.000 1.048 7575 V CA 0.073 62.377 62.300 0.008 0.000 0.966 7575 V CB -0.077 31.695 31.823 -0.085 0.000 1.015 7575 V HN 0.746 nan 8.190 nan 0.000 0.477 7576 H N 3.227 122.359 119.070 0.103 0.000 2.497 7576 H HA 0.224 4.781 4.556 0.002 0.000 0.282 7576 H C 1.442 176.843 175.328 0.122 0.000 1.003 7576 H CA 0.592 56.713 56.048 0.121 0.000 1.307 7576 H CB 0.536 30.382 29.762 0.141 0.000 1.437 7576 H HN 0.678 nan 8.280 nan 0.000 0.544 7577 A N 1.645 124.592 122.820 0.212 0.000 2.540 7577 A HA -0.076 4.245 4.320 0.002 0.000 0.239 7577 A C 1.538 179.160 177.584 0.063 0.000 1.061 7577 A CA -0.006 52.104 52.037 0.121 0.000 0.758 7577 A CB 0.459 19.462 19.000 0.005 0.000 0.991 7577 A HN 0.322 nan 8.150 nan 0.000 0.502 7578 Q N 1.643 121.470 119.800 0.045 0.000 2.124 7578 Q HA 0.151 4.493 4.340 0.002 0.000 0.202 7578 Q C 0.746 176.737 176.000 -0.015 0.000 0.977 7578 Q CA 1.959 57.769 55.803 0.011 0.000 0.850 7578 Q CB -0.055 28.672 28.738 -0.018 0.000 0.901 7578 Q HN 1.100 nan 8.270 nan 0.000 0.429 7579 G N -1.202 107.578 108.800 -0.034 0.000 2.623 7579 G HA2 0.489 4.450 3.960 0.002 0.000 0.290 7579 G HA3 0.489 4.450 3.960 0.002 0.000 0.290 7579 G C -2.301 172.563 174.900 -0.060 0.000 1.437 7579 G CA -0.596 44.479 45.100 -0.042 0.000 0.798 7579 G HN 0.154 nan 8.290 nan 0.000 0.488 7580 L N 0.373 121.564 121.223 -0.054 0.000 2.365 7580 L HA 0.844 5.185 4.340 0.002 0.000 0.273 7580 L C -1.042 175.778 176.870 -0.082 0.000 1.000 7580 L CA -0.771 54.028 54.840 -0.068 0.000 0.819 7580 L CB 2.314 44.349 42.059 -0.041 0.000 1.284 7580 L HN 0.387 nan 8.230 nan 0.000 0.418 7581 V N 6.644 126.495 119.914 -0.107 0.000 2.409 7581 V HA 0.533 4.654 4.120 0.002 0.000 0.290 7581 V C -0.185 175.829 176.094 -0.134 0.000 1.017 7581 V CA -0.368 61.855 62.300 -0.130 0.000 0.841 7581 V CB 1.225 32.946 31.823 -0.171 0.000 1.003 7581 V HN 0.758 nan 8.190 nan 0.000 0.426 7582 I N 1.874 122.367 120.570 -0.128 0.000 3.042 7582 I HA 0.725 4.896 4.170 0.002 0.000 0.310 7582 I C 0.733 176.763 176.117 -0.144 0.000 1.117 7582 I CA -0.993 60.224 61.300 -0.138 0.000 1.003 7582 I CB 2.538 40.459 38.000 -0.133 0.000 1.228 7582 I HN 0.414 nan 8.210 nan 0.000 0.443 7583 R N 1.959 122.354 120.500 -0.176 0.000 2.080 7583 R HA 0.229 4.570 4.340 0.002 0.000 0.222 7583 R C -0.547 175.656 176.300 -0.161 0.000 1.107 7583 R CA 1.500 57.492 56.100 -0.180 0.000 0.980 7583 R CB -0.133 30.022 30.300 -0.240 0.000 0.879 7583 R HN 0.899 nan 8.270 nan 0.000 0.439 7584 D N -1.095 119.198 120.400 -0.179 0.000 2.977 7584 D HA 0.227 4.868 4.640 0.002 0.000 0.220 7584 D C -2.050 174.218 176.300 -0.053 0.000 1.267 7584 D CA -0.572 53.364 54.000 -0.107 0.000 0.884 7584 D CB 1.195 41.921 40.800 -0.124 0.000 1.667 7584 D HN 0.026 nan 8.370 nan 0.000 0.536 7585 L N 5.183 126.389 121.223 -0.028 0.000 2.265 7585 L HA 0.635 4.977 4.340 0.002 0.000 0.289 7585 L C -2.306 174.565 176.870 0.003 0.000 1.033 7585 L CA -1.580 53.241 54.840 -0.032 0.000 0.814 7585 L CB 0.968 43.004 42.059 -0.039 0.000 1.203 7585 L HN 0.255 nan 8.230 nan 0.000 0.423 7586 P HA -0.004 nan 4.420 nan 0.000 0.268 7586 P C 0.777 178.067 177.300 -0.016 0.000 1.205 7586 P CA -0.438 62.654 63.100 -0.012 0.000 0.771 7586 P CB 0.897 32.569 31.700 -0.046 0.000 0.858 7587 L N 2.332 123.545 121.223 -0.017 0.000 2.051 7587 L HA -0.103 4.238 4.340 0.002 0.000 0.214 7587 L C 1.433 178.299 176.870 -0.006 0.000 1.076 7587 L CA 1.841 56.675 54.840 -0.009 0.000 0.758 7587 L CB -1.160 40.892 42.059 -0.012 0.000 0.890 7587 L HN 0.533 nan 8.230 nan 0.000 0.433 7588 I N -5.429 115.134 120.570 -0.011 0.000 3.074 7588 I HA 0.715 4.887 4.170 0.002 0.000 0.310 7588 I C -0.508 175.609 176.117 0.000 0.000 1.153 7588 I CA -1.215 60.085 61.300 -0.000 0.000 0.993 7588 I CB 1.976 39.978 38.000 0.004 0.000 1.237 7588 I HN -0.219 nan 8.210 nan 0.000 0.443 7589 A N 1.981 124.809 122.820 0.014 0.000 2.301 7589 A HA 0.700 5.021 4.320 0.002 0.000 0.312 7589 A C -0.131 177.469 177.584 0.027 0.000 1.182 7589 A CA -0.398 51.653 52.037 0.025 0.000 0.826 7589 A CB 0.914 19.933 19.000 0.032 0.000 1.134 7589 A HN 0.738 nan 8.150 nan 0.000 0.501 7590 S N 2.988 118.708 115.700 0.032 0.000 2.389 7590 S HA 0.447 4.918 4.470 0.002 0.000 0.201 7590 S C -1.074 173.558 174.600 0.054 0.000 1.422 7590 S CA -0.685 57.539 58.200 0.040 0.000 1.216 7590 S CB -0.360 62.860 63.200 0.034 0.000 1.130 7590 S HN 0.838 nan 8.310 nan 0.000 0.465 7591 N N 2.960 121.689 118.700 0.049 0.000 2.452 7591 N HA 0.148 4.889 4.740 0.002 0.000 0.277 7591 N C 0.409 175.929 175.510 0.015 0.000 1.078 7591 N CA -0.546 52.529 53.050 0.042 0.000 0.947 7591 N CB 0.934 39.396 38.487 -0.042 0.000 1.655 7591 N HN 0.433 nan 8.380 nan 0.000 0.490 7592 F N 3.373 123.346 119.950 0.038 0.000 2.449 7592 F HA 0.112 4.640 4.527 0.002 0.000 0.299 7592 F C 1.400 177.230 175.800 0.050 0.000 1.092 7592 F CA 0.797 58.823 58.000 0.043 0.000 1.446 7592 F CB -0.066 38.962 39.000 0.047 0.000 1.084 7592 F HN 0.386 nan 8.300 nan 0.000 0.567 7593 R N 0.318 120.308 120.500 -0.850 0.000 2.290 7593 R HA 0.046 4.387 4.340 0.002 0.000 0.197 7593 R C 0.350 176.494 176.300 -0.261 0.000 0.913 7593 R CA 0.135 55.860 56.100 -0.625 0.000 1.040 7593 R CB -0.489 29.381 30.300 -0.717 0.000 0.992 7593 R HN 0.267 nan 8.270 nan 0.000 0.500 7594 N N 1.373 119.961 118.700 -0.186 0.000 2.412 7594 N HA -0.080 4.662 4.740 0.002 0.000 0.254 7594 N C 0.640 176.129 175.510 -0.034 0.000 1.232 7594 N CA 0.747 53.744 53.050 -0.087 0.000 0.880 7594 N CB 0.977 39.440 38.487 -0.041 0.000 1.076 7594 N HN 0.066 nan 8.380 nan 0.000 0.458 7595 T N -0.117 114.429 114.554 -0.013 0.000 3.004 7595 T HA 0.237 4.589 4.350 0.002 0.000 0.266 7595 T C 0.047 174.778 174.700 0.051 0.000 0.986 7595 T CA -0.410 61.705 62.100 0.024 0.000 0.902 7595 T CB -0.136 68.753 68.868 0.035 0.000 1.118 7595 T HN 0.648 nan 8.240 nan 0.000 0.522 7596 E N 1.921 122.154 120.200 0.055 0.000 2.748 7596 E HA 0.147 4.498 4.350 0.002 0.000 0.320 7596 E C -1.749 174.902 176.600 0.086 0.000 0.996 7596 E CA -0.722 55.731 56.400 0.089 0.000 0.835 7596 E CB 1.239 31.034 29.700 0.158 0.000 1.265 7596 E HN 0.366 nan 8.360 nan 0.000 0.420 7597 D N 4.080 124.528 120.400 0.079 0.000 2.400 7597 D HA -0.064 4.577 4.640 0.002 0.000 0.238 7597 D C 1.199 177.563 176.300 0.107 0.000 1.157 7597 D CA -0.362 53.681 54.000 0.070 0.000 0.889 7597 D CB 1.340 42.171 40.800 0.052 0.000 1.199 7597 D HN 0.459 nan 8.370 nan 0.000 0.436 7598 L N 2.617 123.888 121.223 0.080 0.000 2.043 7598 L HA -0.245 4.096 4.340 0.002 0.000 0.212 7598 L C 2.524 179.481 176.870 0.146 0.000 1.075 7598 L CA 2.297 57.197 54.840 0.100 0.000 0.752 7598 L CB -0.970 41.088 42.059 -0.003 0.000 0.891 7598 L HN 0.639 nan 8.230 nan 0.000 0.432 7599 S N -1.776 113.977 115.700 0.088 0.000 2.383 7599 S HA -0.162 4.309 4.470 0.002 0.000 0.227 7599 S C 2.097 176.759 174.600 0.103 0.000 1.026 7599 S CA 1.456 59.703 58.200 0.078 0.000 0.981 7599 S CB -0.332 62.893 63.200 0.041 0.000 0.818 7599 S HN 0.642 nan 8.310 nan 0.000 0.472 7600 S N 0.026 115.794 115.700 0.115 0.000 2.368 7600 S HA -0.085 4.386 4.470 0.002 0.000 0.225 7600 S C 1.506 176.197 174.600 0.152 0.000 1.030 7600 S CA 1.384 59.650 58.200 0.111 0.000 0.999 7600 S CB -0.621 62.637 63.200 0.097 0.000 0.844 7600 S HN 0.732 nan 8.310 nan 0.000 0.459 7601 Y N 2.358 122.712 120.300 0.090 0.000 2.145 7601 Y HA -0.136 4.416 4.550 0.002 0.000 0.286 7601 Y C 1.908 177.922 175.900 0.191 0.000 1.145 7601 Y CA 1.344 59.538 58.100 0.158 0.000 1.148 7601 Y CB -0.458 38.075 38.460 0.122 0.000 0.981 7601 Y HN 0.144 nan 8.280 nan 0.000 0.507 7602 L N 0.056 121.415 121.223 0.225 0.000 1.989 7602 L HA -0.294 4.047 4.340 0.002 0.000 0.211 7602 L C 2.503 179.408 176.870 0.058 0.000 1.071 7602 L CA 1.904 56.821 54.840 0.128 0.000 0.749 7602 L CB -0.694 41.431 42.059 0.111 0.000 0.890 7602 L HN 0.162 nan 8.230 nan 0.000 0.431 7603 K N 0.045 120.474 120.400 0.049 0.000 2.009 7603 K HA -0.259 4.063 4.320 0.002 0.000 0.210 7603 K C 2.182 178.765 176.600 -0.029 0.000 1.049 7603 K CA 1.782 58.077 56.287 0.013 0.000 0.929 7603 K CB -0.412 32.099 32.500 0.018 0.000 0.714 7603 K HN 0.232 nan 8.250 nan 0.000 0.440 7604 R N 0.823 121.292 120.500 -0.052 0.000 2.119 7604 R HA -0.195 4.146 4.340 0.002 0.000 0.246 7604 R C 1.802 177.916 176.300 -0.310 0.000 1.146 7604 R CA 1.692 57.694 56.100 -0.164 0.000 0.962 7604 R CB -0.207 29.988 30.300 -0.175 0.000 0.863 7604 R HN 0.400 nan 8.270 nan 0.000 0.442 7605 H N -0.074 118.862 119.070 -0.225 0.000 2.539 7605 H HA 0.108 4.665 4.556 0.002 0.000 0.269 7605 H C 0.075 175.332 175.328 -0.118 0.000 0.980 7605 H CA 0.276 56.197 56.048 -0.212 0.000 1.152 7605 H CB 0.239 29.805 29.762 -0.327 0.000 1.407 7605 H HN 0.332 nan 8.280 nan 0.000 0.564 7606 N N 0.954 119.646 118.700 -0.013 0.000 2.756 7606 N HA -0.159 4.583 4.740 0.002 0.000 0.248 7606 N C -0.809 174.708 175.510 0.012 0.000 1.062 7606 N CA 0.407 53.453 53.050 -0.007 0.000 0.696 7606 N CB -1.033 37.440 38.487 -0.023 0.000 0.946 7606 N HN 0.243 nan 8.380 nan 0.000 0.548 7607 I N 0.780 121.366 120.570 0.027 0.000 2.377 7607 I HA 0.273 4.445 4.170 0.002 0.000 0.293 7607 I C 0.984 177.111 176.117 0.016 0.000 0.987 7607 I CA -0.727 60.588 61.300 0.024 0.000 1.185 7607 I CB 1.586 39.609 38.000 0.039 0.000 1.341 7607 I HN -0.256 nan 8.210 nan 0.000 0.455 7608 V N 5.977 125.894 119.914 0.005 0.000 2.455 7608 V HA 0.571 4.692 4.120 0.002 0.000 0.273 7608 V C 0.530 176.618 176.094 -0.009 0.000 1.045 7608 V CA -0.162 62.137 62.300 -0.002 0.000 0.976 7608 V CB 0.901 32.720 31.823 -0.007 0.000 0.993 7608 V HN 0.923 nan 8.190 nan 0.000 0.475 7609 A N 6.421 129.237 122.820 -0.007 0.000 2.475 7609 A HA 0.866 5.187 4.320 0.002 0.000 0.301 7609 A C -1.032 176.538 177.584 -0.023 0.000 1.059 7609 A CA -0.542 51.484 52.037 -0.018 0.000 0.710 7609 A CB 1.597 20.592 19.000 -0.009 0.000 1.288 7609 A HN 0.777 nan 8.150 nan 0.000 0.408 7610 I N 1.262 121.808 120.570 -0.040 0.000 2.545 7610 I HA 0.756 4.927 4.170 0.002 0.000 0.292 7610 I C -0.041 176.045 176.117 -0.052 0.000 1.040 7610 I CA -0.613 60.665 61.300 -0.037 0.000 1.068 7610 I CB 1.859 39.838 38.000 -0.036 0.000 1.251 7610 I HN 0.905 nan 8.210 nan 0.000 0.424 7611 A N 4.126 126.922 122.820 -0.040 0.000 2.347 7611 A HA 0.654 4.975 4.320 0.002 0.000 0.301 7611 A C -0.413 177.148 177.584 -0.039 0.000 1.163 7611 A CA -0.230 51.776 52.037 -0.052 0.000 0.860 7611 A CB 0.797 19.768 19.000 -0.048 0.000 1.367 7611 A HN 0.818 nan 8.150 nan 0.000 0.461 7612 D N -1.548 118.823 120.400 -0.050 0.000 2.907 7612 D HA -0.163 4.478 4.640 0.002 0.000 0.226 7612 D C -0.173 176.117 176.300 -0.017 0.000 1.141 7612 D CA 1.688 55.668 54.000 -0.034 0.000 0.779 7612 D CB -2.011 38.783 40.800 -0.010 0.000 1.095 7612 D HN 0.844 nan 8.370 nan 0.000 0.430 7613 I N -3.197 117.347 120.570 -0.044 0.000 2.750 7613 I HA 0.535 4.707 4.170 0.002 0.000 0.308 7613 I C 0.245 176.335 176.117 -0.046 0.000 1.016 7613 I CA -0.871 60.420 61.300 -0.014 0.000 1.098 7613 I CB 1.460 39.443 38.000 -0.029 0.000 1.279 7613 I HN -0.294 nan 8.210 nan 0.000 0.454 7614 D N 2.913 123.328 120.400 0.025 0.000 2.508 7614 D HA 0.091 4.732 4.640 0.002 0.000 0.224 7614 D C 1.203 177.454 176.300 -0.083 0.000 1.171 7614 D CA 0.136 54.133 54.000 -0.005 0.000 1.006 7614 D CB 0.479 41.318 40.800 0.064 0.000 1.073 7614 D HN 0.786 nan 8.370 nan 0.000 0.513 7615 T N 0.783 115.238 114.554 -0.165 0.000 2.962 7615 T HA -0.179 4.173 4.350 0.002 0.000 0.270 7615 T C 1.837 176.406 174.700 -0.217 0.000 1.088 7615 T CA 0.697 62.656 62.100 -0.236 0.000 1.127 7615 T CB 0.101 68.844 68.868 -0.208 0.000 0.883 7615 T HN 0.299 nan 8.240 nan 0.000 0.493 7616 R N 1.656 122.058 120.500 -0.162 0.000 2.073 7616 R HA 0.081 4.423 4.340 0.002 0.000 0.229 7616 R C 2.527 178.743 176.300 -0.140 0.000 1.120 7616 R CA 1.330 57.332 56.100 -0.165 0.000 0.967 7616 R CB -0.263 29.964 30.300 -0.122 0.000 0.862 7616 R HN 0.464 nan 8.270 nan 0.000 0.436 7617 K N 0.297 120.662 120.400 -0.058 0.000 2.032 7617 K HA -0.194 4.127 4.320 0.002 0.000 0.209 7617 K C 2.000 178.618 176.600 0.029 0.000 1.048 7617 K CA 1.676 57.977 56.287 0.023 0.000 0.927 7617 K CB -0.294 32.294 32.500 0.147 0.000 0.712 7617 K HN 0.207 nan 8.250 nan 0.000 0.441 7618 L N 1.615 122.812 121.223 -0.043 0.000 1.989 7618 L HA -0.171 4.170 4.340 0.002 0.000 0.211 7618 L C 2.077 178.835 176.870 -0.186 0.000 1.071 7618 L CA 2.267 57.004 54.840 -0.172 0.000 0.749 7618 L CB -1.129 40.570 42.059 -0.600 0.000 0.890 7618 L HN 0.247 nan 8.230 nan 0.000 0.431 7619 T N 0.015 114.382 114.554 -0.310 0.000 2.665 7619 T HA -0.216 4.136 4.350 0.002 0.000 0.268 7619 T C 1.963 176.362 174.700 -0.501 0.000 1.035 7619 T CA 1.798 63.552 62.100 -0.576 0.000 1.151 7619 T CB -0.267 68.129 68.868 -0.787 0.000 0.862 7619 T HN 0.378 nan 8.240 nan 0.000 0.438 7620 R N 0.227 120.543 120.500 -0.307 0.000 2.120 7620 R HA -0.024 4.317 4.340 0.002 0.000 0.234 7620 R C 2.372 178.602 176.300 -0.116 0.000 1.123 7620 R CA 0.890 56.868 56.100 -0.204 0.000 0.975 7620 R CB -0.573 29.650 30.300 -0.127 0.000 0.866 7620 R HN 0.283 nan 8.270 nan 0.000 0.446 7621 L N 1.042 122.224 121.223 -0.068 0.000 2.044 7621 L HA -0.092 4.249 4.340 0.002 0.000 0.205 7621 L C 2.023 178.903 176.870 0.017 0.000 1.075 7621 L CA 1.577 56.419 54.840 0.004 0.000 0.747 7621 L CB -0.390 41.711 42.059 0.070 0.000 0.903 7621 L HN 0.083 nan 8.230 nan 0.000 0.435 7622 L N -0.637 120.591 121.223 0.008 0.000 2.131 7622 L HA -0.186 4.155 4.340 0.002 0.000 0.210 7622 L C 2.772 179.670 176.870 0.047 0.000 1.092 7622 L CA 1.296 56.186 54.840 0.083 0.000 0.759 7622 L CB -0.590 41.591 42.059 0.205 0.000 0.903 7622 L HN 0.364 nan 8.230 nan 0.000 0.435 7623 R N 0.074 120.509 120.500 -0.108 0.000 2.066 7623 R HA -0.142 4.199 4.340 0.002 0.000 0.232 7623 R C 2.233 178.577 176.300 0.074 0.000 1.131 7623 R CA 1.171 57.123 56.100 -0.247 0.000 0.955 7623 R CB 0.103 30.224 30.300 -0.297 0.000 0.851 7623 R HN 0.220 nan 8.270 nan 0.000 0.432 7624 E N 0.672 120.898 120.200 0.043 0.000 2.046 7624 E HA -0.136 4.215 4.350 0.002 0.000 0.190 7624 E C 1.710 178.370 176.600 0.101 0.000 0.982 7624 E CA 1.438 57.883 56.400 0.074 0.000 0.800 7624 E CB 0.099 29.818 29.700 0.030 0.000 0.756 7624 E HN 0.246 nan 8.360 nan 0.000 0.449 7625 K N -0.765 119.691 120.400 0.093 0.000 2.361 7625 K HA 0.231 4.552 4.320 0.002 0.000 0.194 7625 K C 0.506 177.178 176.600 0.119 0.000 1.032 7625 K CA 0.482 56.823 56.287 0.091 0.000 1.048 7625 K CB 1.091 33.630 32.500 0.066 0.000 0.842 7625 K HN 0.218 nan 8.250 nan 0.000 0.526 7626 G N 0.797 109.704 108.800 0.177 0.000 2.712 7626 G HA2 -0.064 3.898 3.960 0.002 0.000 0.683 7626 G HA3 -0.064 3.898 3.960 0.002 0.000 0.683 7626 G C -0.437 174.562 174.900 0.164 0.000 1.320 7626 G CA -0.825 44.404 45.100 0.216 0.000 0.847 7626 G HN 0.296 nan 8.290 nan 0.000 0.553 7627 A N 0.082 122.997 122.820 0.159 0.000 2.555 7627 A HA 0.525 4.846 4.320 0.002 0.000 0.233 7627 A C 0.677 178.311 177.584 0.084 0.000 1.060 7627 A CA 1.417 53.520 52.037 0.110 0.000 0.759 7627 A CB 0.180 19.226 19.000 0.076 0.000 0.995 7627 A HN 0.981 nan 8.150 nan 0.000 0.506 7628 Q N 0.858 120.701 119.800 0.073 0.000 2.340 7628 Q HA 0.269 4.611 4.340 0.002 0.000 0.276 7628 Q C -1.195 174.835 176.000 0.050 0.000 1.048 7628 Q CA -1.069 54.775 55.803 0.069 0.000 0.832 7628 Q CB 1.878 30.656 28.738 0.066 0.000 1.373 7628 Q HN 0.854 nan 8.270 nan 0.000 0.409 7629 N N 0.067 118.808 118.700 0.070 0.000 2.445 7629 N HA 0.686 5.428 4.740 0.002 0.000 0.264 7629 N C -0.207 175.286 175.510 -0.029 0.000 1.227 7629 N CA -0.039 53.013 53.050 0.004 0.000 0.963 7629 N CB 1.274 39.842 38.487 0.135 0.000 1.188 7629 N HN 0.759 nan 8.380 nan 0.000 0.491 7630 G N -1.706 107.025 108.800 -0.115 0.000 2.608 7630 G HA2 0.475 4.436 3.960 0.002 0.000 0.291 7630 G HA3 0.475 4.436 3.960 0.002 0.000 0.291 7630 G C -1.816 173.024 174.900 -0.099 0.000 1.425 7630 G CA -0.419 44.643 45.100 -0.062 0.000 0.787 7630 G HN 0.700 nan 8.290 nan 0.000 0.484 7631 C N 0.314 119.584 119.300 -0.051 0.000 2.609 7631 C HA 0.824 5.285 4.460 0.002 0.000 0.313 7631 C C -0.740 174.230 174.990 -0.033 0.000 1.175 7631 C CA -0.676 58.314 59.018 -0.048 0.000 1.434 7631 C CB -0.044 27.683 27.740 -0.021 0.000 2.005 7631 C HN 0.626 nan 8.230 nan 0.000 0.471 7632 I N 5.847 126.394 120.570 -0.037 0.000 2.404 7632 I HA 0.513 4.684 4.170 0.002 0.000 0.293 7632 I C -0.447 175.660 176.117 -0.016 0.000 0.992 7632 I CA -0.391 60.892 61.300 -0.028 0.000 1.149 7632 I CB 1.561 39.540 38.000 -0.035 0.000 1.315 7632 I HN 0.516 nan 8.210 nan 0.000 0.446 7633 I N 5.506 126.071 120.570 -0.008 0.000 2.406 7633 I HA 0.603 4.774 4.170 0.002 0.000 0.290 7633 I C -0.231 175.889 176.117 0.006 0.000 0.999 7633 I CA -0.348 60.953 61.300 0.001 0.000 1.124 7633 I CB 1.911 39.916 38.000 0.008 0.000 1.289 7633 I HN 0.621 nan 8.210 nan 0.000 0.441 7634 A N 4.821 127.645 122.820 0.007 0.000 2.332 7634 A HA 0.948 5.269 4.320 0.002 0.000 0.300 7634 A C -0.227 177.364 177.584 0.011 0.000 1.153 7634 A CA -0.261 51.781 52.037 0.009 0.000 0.764 7634 A CB 1.179 20.182 19.000 0.005 0.000 1.174 7634 A HN 0.894 nan 8.150 nan 0.000 0.467 7635 G N 0.384 109.193 108.800 0.015 0.000 2.341 7635 G HA2 0.384 4.345 3.960 0.002 0.000 0.299 7635 G HA3 0.384 4.345 3.960 0.002 0.000 0.299 7635 G C -0.217 174.692 174.900 0.015 0.000 1.274 7635 G CA -0.037 45.071 45.100 0.014 0.000 0.853 7635 G HN 0.302 nan 8.290 nan 0.000 0.493 7636 D N -0.203 120.205 120.400 0.013 0.000 2.133 7636 D HA -0.096 4.546 4.640 0.002 0.000 0.192 7636 D C 0.613 176.922 176.300 0.014 0.000 1.001 7636 D CA 1.613 55.620 54.000 0.012 0.000 0.844 7636 D CB 0.183 40.989 40.800 0.009 0.000 0.944 7636 D HN 0.296 nan 8.370 nan 0.000 0.447 7637 N N -0.313 118.398 118.700 0.017 0.000 2.666 7637 N HA 0.145 4.887 4.740 0.002 0.000 0.253 7637 N C -2.739 172.788 175.510 0.028 0.000 1.621 7637 N CA -0.669 52.394 53.050 0.021 0.000 0.785 7637 N CB 1.557 40.052 38.487 0.014 0.000 1.332 7637 N HN -0.115 nan 8.380 nan 0.000 0.514 7638 P HA -0.127 nan 4.420 nan 0.000 0.261 7638 P C -0.569 176.755 177.300 0.041 0.000 1.140 7638 P CA 0.553 63.675 63.100 0.038 0.000 0.757 7638 P CB 0.468 32.196 31.700 0.046 0.000 0.735 7639 D N 2.381 122.799 120.400 0.029 0.000 2.380 7639 D HA 0.329 4.970 4.640 0.002 0.000 0.230 7639 D C 1.204 177.520 176.300 0.027 0.000 1.154 7639 D CA -0.186 53.831 54.000 0.027 0.000 0.859 7639 D CB 0.832 41.644 40.800 0.020 0.000 1.045 7639 D HN 0.282 nan 8.370 nan 0.000 0.495 7640 A N 4.367 127.208 122.820 0.035 0.000 1.859 7640 A HA -0.152 4.169 4.320 0.002 0.000 0.217 7640 A C 2.175 179.769 177.584 0.017 0.000 1.198 7640 A CA 2.164 54.218 52.037 0.028 0.000 0.629 7640 A CB -0.983 18.044 19.000 0.047 0.000 0.830 7640 A HN 0.658 nan 8.150 nan 0.000 0.446 7641 A N -0.817 122.014 122.820 0.019 0.000 1.892 7641 A HA -0.136 4.185 4.320 0.002 0.000 0.218 7641 A C 2.182 179.776 177.584 0.016 0.000 1.188 7641 A CA 2.067 54.113 52.037 0.016 0.000 0.631 7641 A CB -0.682 18.327 19.000 0.015 0.000 0.822 7641 A HN 0.809 nan 8.150 nan 0.000 0.447 7642 L N -0.535 120.698 121.223 0.017 0.000 2.072 7642 L HA 0.052 4.393 4.340 0.002 0.000 0.205 7642 L C 2.684 179.565 176.870 0.019 0.000 1.079 7642 L CA 2.092 56.943 54.840 0.019 0.000 0.752 7642 L CB -1.050 41.020 42.059 0.018 0.000 0.906 7642 L HN 0.352 nan 8.230 nan 0.000 0.436 7643 A N -0.452 122.377 122.820 0.015 0.000 1.883 7643 A HA -0.229 4.092 4.320 0.002 0.000 0.217 7643 A C 2.245 179.837 177.584 0.014 0.000 1.186 7643 A CA 2.074 54.117 52.037 0.011 0.000 0.624 7643 A CB -1.110 17.891 19.000 0.003 0.000 0.822 7643 A HN 0.472 nan 8.150 nan 0.000 0.444 7644 L N 0.452 121.683 121.223 0.013 0.000 2.017 7644 L HA -0.173 4.168 4.340 0.002 0.000 0.208 7644 L C 2.402 179.288 176.870 0.027 0.000 1.073 7644 L CA 2.786 57.636 54.840 0.017 0.000 0.745 7644 L CB -0.787 41.278 42.059 0.011 0.000 0.894 7644 L HN 0.667 nan 8.230 nan 0.000 0.432 7645 E N -0.370 119.846 120.200 0.027 0.000 2.077 7645 E HA -0.256 4.095 4.350 0.002 0.000 0.193 7645 E C 1.974 178.601 176.600 0.045 0.000 0.989 7645 E CA 1.321 57.740 56.400 0.033 0.000 0.800 7645 E CB -0.117 29.600 29.700 0.027 0.000 0.746 7645 E HN 0.570 nan 8.360 nan 0.000 0.452 7646 K N 0.296 120.722 120.400 0.042 0.000 2.097 7646 K HA -0.082 4.239 4.320 0.002 0.000 0.206 7646 K C 2.253 178.899 176.600 0.077 0.000 1.049 7646 K CA 0.989 57.310 56.287 0.057 0.000 0.933 7646 K CB -0.143 32.382 32.500 0.042 0.000 0.717 7646 K HN 0.171 nan 8.250 nan 0.000 0.442 7647 A N 1.948 124.801 122.820 0.055 0.000 1.902 7647 A HA -0.155 4.166 4.320 0.002 0.000 0.217 7647 A C 2.071 179.719 177.584 0.107 0.000 1.181 7647 A CA 1.181 53.253 52.037 0.059 0.000 0.623 7647 A CB -0.321 18.697 19.000 0.030 0.000 0.818 7647 A HN 0.209 nan 8.150 nan 0.000 0.443 7648 R N -0.601 119.950 120.500 0.086 0.000 2.148 7648 R HA 0.047 4.388 4.340 0.002 0.000 0.223 7648 R C 2.261 178.622 176.300 0.101 0.000 1.088 7648 R CA 0.907 57.059 56.100 0.087 0.000 0.985 7648 R CB -0.366 29.968 30.300 0.056 0.000 0.880 7648 R HN 0.495 nan 8.270 nan 0.000 0.451 7649 A N 1.259 124.143 122.820 0.106 0.000 2.067 7649 A HA -0.102 4.219 4.320 0.002 0.000 0.219 7649 A C 0.686 178.348 177.584 0.131 0.000 1.158 7649 A CA 0.137 52.232 52.037 0.097 0.000 0.661 7649 A CB -0.392 18.660 19.000 0.085 0.000 0.801 7649 A HN 0.228 nan 8.150 nan 0.000 0.452 7650 F N 1.697 121.661 119.950 0.024 0.000 2.602 7650 F HA 0.190 4.718 4.527 0.002 0.000 0.385 7650 F C -0.880 174.938 175.800 0.030 0.000 1.063 7650 F CA -2.024 55.993 58.000 0.029 0.000 1.233 7650 F CB 0.675 39.694 39.000 0.032 0.000 1.067 7650 F HN 0.049 nan 8.300 nan 0.000 0.564 7651 P HA 0.086 nan 4.420 nan 0.000 0.215 7651 P C 0.014 177.028 177.300 -0.476 0.000 1.157 7651 P CA 1.566 64.366 63.100 -0.500 0.000 0.868 7651 P CB -0.222 31.197 31.700 -0.469 0.000 0.788 7652 G N -1.206 107.093 108.800 -0.835 0.000 3.233 7652 G HA2 -0.071 3.890 3.960 0.002 0.000 0.686 7652 G HA3 -0.071 3.890 3.960 0.002 0.000 0.686 7652 G C -0.079 174.780 174.900 -0.068 0.000 1.153 7652 G CA -0.631 44.366 45.100 -0.172 0.000 0.853 7652 G HN 0.052 nan 8.290 nan 0.000 0.582 7653 L N 1.777 123.101 121.223 0.168 0.000 2.127 7653 L HA 0.022 4.363 4.340 0.002 0.000 0.211 7653 L C 1.889 178.905 176.870 0.243 0.000 1.089 7653 L CA 1.294 56.267 54.840 0.222 0.000 0.757 7653 L CB -0.853 41.407 42.059 0.335 0.000 0.899 7653 L HN 0.764 nan 8.230 nan 0.000 0.434 7654 N N -0.233 118.612 118.700 0.241 0.000 2.357 7654 N HA 0.104 4.846 4.740 0.002 0.000 0.257 7654 N C 1.265 176.836 175.510 0.101 0.000 1.250 7654 N CA 0.656 53.860 53.050 0.257 0.000 0.862 7654 N CB 0.205 38.782 38.487 0.149 0.000 1.066 7654 N HN 0.367 nan 8.380 nan 0.000 0.468 7655 G N 3.136 111.965 108.800 0.048 0.000 2.189 7655 G HA2 -0.340 3.621 3.960 0.002 0.000 0.267 7655 G HA3 -0.340 3.621 3.960 0.002 0.000 0.267 7655 G C 0.249 175.120 174.900 -0.048 0.000 0.975 7655 G CA 0.495 45.578 45.100 -0.029 0.000 0.644 7655 G HN 0.622 nan 8.290 nan 0.000 0.537 7656 M N 2.104 121.688 119.600 -0.026 0.000 2.135 7656 M HA 0.411 4.892 4.480 0.002 0.000 0.345 7656 M C -0.256 176.018 176.300 -0.044 0.000 1.340 7656 M CA -0.640 54.644 55.300 -0.026 0.000 1.162 7656 M CB 0.571 33.169 32.600 -0.003 0.000 1.570 7656 M HN 0.115 nan 8.290 nan 0.000 0.454 7657 D N 5.400 125.774 120.400 -0.044 0.000 2.352 7657 D HA 0.118 4.759 4.640 0.002 0.000 0.245 7657 D C 0.221 176.533 176.300 0.020 0.000 1.224 7657 D CA 0.097 54.073 54.000 -0.041 0.000 0.879 7657 D CB 0.581 41.377 40.800 -0.008 0.000 1.057 7657 D HN 0.787 nan 8.370 nan 0.000 0.491 7658 L N 3.308 124.546 121.223 0.024 0.000 2.513 7658 L HA 0.170 4.511 4.340 0.002 0.000 0.222 7658 L C 2.416 179.343 176.870 0.095 0.000 1.096 7658 L CA 0.240 55.124 54.840 0.072 0.000 0.857 7658 L CB -0.098 42.016 42.059 0.092 0.000 1.026 7658 L HN 0.444 nan 8.230 nan 0.000 0.469 7659 A N 2.107 124.979 122.820 0.087 0.000 1.873 7659 A HA -0.286 4.035 4.320 0.002 0.000 0.218 7659 A C 2.233 179.933 177.584 0.193 0.000 1.193 7659 A CA 2.449 54.581 52.037 0.160 0.000 0.629 7659 A CB -0.530 18.566 19.000 0.159 0.000 0.826 7659 A HN 0.541 nan 8.150 nan 0.000 0.447 7660 K N -0.632 119.879 120.400 0.185 0.000 2.360 7660 K HA -0.138 4.183 4.320 0.002 0.000 0.201 7660 K C 1.137 177.790 176.600 0.088 0.000 1.046 7660 K CA 1.560 57.913 56.287 0.110 0.000 0.940 7660 K CB -0.110 32.424 32.500 0.055 0.000 0.748 7660 K HN 0.444 nan 8.250 nan 0.000 0.465 7661 E N 0.980 121.243 120.200 0.105 0.000 2.318 7661 E HA -0.057 4.294 4.350 0.002 0.000 0.193 7661 E C 2.070 178.743 176.600 0.123 0.000 0.998 7661 E CA 1.256 57.716 56.400 0.101 0.000 0.859 7661 E CB 0.365 30.127 29.700 0.102 0.000 0.812 7661 E HN 0.437 nan 8.360 nan 0.000 0.492 7662 V N -1.711 118.289 119.914 0.143 0.000 3.660 7662 V HA 0.178 4.299 4.120 0.002 0.000 0.276 7662 V C 1.238 177.422 176.094 0.151 0.000 1.317 7662 V CA 0.020 62.421 62.300 0.169 0.000 1.097 7662 V CB 0.122 32.044 31.823 0.165 0.000 0.863 7662 V HN -0.071 nan 8.190 nan 0.000 0.438 7663 T N 1.449 116.083 114.554 0.135 0.000 2.802 7663 T HA 0.195 4.546 4.350 0.002 0.000 0.305 7663 T C 0.406 175.176 174.700 0.116 0.000 1.053 7663 T CA 0.842 63.015 62.100 0.122 0.000 1.058 7663 T CB 0.832 69.769 68.868 0.114 0.000 0.988 7663 T HN 0.654 nan 8.240 nan 0.000 0.539 7664 T N 1.955 116.591 114.554 0.136 0.000 2.919 7664 T HA 0.444 4.795 4.350 0.002 0.000 0.302 7664 T C 1.295 176.058 174.700 0.106 0.000 1.031 7664 T CA -0.071 62.122 62.100 0.154 0.000 1.127 7664 T CB 0.293 69.356 68.868 0.324 0.000 0.952 7664 T HN 0.696 nan 8.240 nan 0.000 0.540 7665 A N 4.522 127.389 122.820 0.079 0.000 1.855 7665 A HA 0.085 4.406 4.320 0.002 0.000 0.215 7665 A C 0.727 178.349 177.584 0.063 0.000 1.191 7665 A CA 1.095 53.165 52.037 0.055 0.000 0.613 7665 A CB -0.301 18.722 19.000 0.038 0.000 0.829 7665 A HN 0.897 nan 8.150 nan 0.000 0.442 7666 E N -0.982 119.270 120.200 0.087 0.000 2.244 7666 E HA 0.646 4.998 4.350 0.002 0.000 0.266 7666 E C -0.499 176.207 176.600 0.177 0.000 0.914 7666 E CA -0.647 55.811 56.400 0.097 0.000 0.794 7666 E CB 1.527 31.271 29.700 0.073 0.000 1.210 7666 E HN 0.348 nan 8.360 nan 0.000 0.414 7667 A N 1.768 124.659 122.820 0.118 0.000 2.445 7667 A HA 0.417 4.738 4.320 0.002 0.000 0.242 7667 A C -0.910 176.805 177.584 0.218 0.000 1.075 7667 A CA 0.061 52.159 52.037 0.102 0.000 0.777 7667 A CB -0.291 18.706 19.000 -0.004 0.000 1.013 7667 A HN 0.628 nan 8.150 nan 0.000 0.493 7668 Y N -0.607 119.721 120.300 0.047 0.000 2.644 7668 Y HA 0.752 5.303 4.550 0.002 0.000 0.338 7668 Y C -0.089 175.876 175.900 0.109 0.000 1.119 7668 Y CA -1.040 57.103 58.100 0.073 0.000 1.060 7668 Y CB 0.770 39.282 38.460 0.087 0.000 1.294 7668 Y HN 0.550 nan 8.280 nan 0.000 0.472 7669 S N 1.638 117.488 115.700 0.250 0.000 2.541 7669 S HA 0.512 4.983 4.470 0.002 0.000 0.283 7669 S C -1.699 173.079 174.600 0.296 0.000 1.196 7669 S CA -0.444 57.865 58.200 0.181 0.000 1.062 7669 S CB 0.521 63.791 63.200 0.117 0.000 1.009 7669 S HN 0.749 nan 8.310 nan 0.000 0.502 7670 W N 4.484 125.823 121.300 0.065 0.000 2.830 7670 W HA 0.374 5.035 4.660 0.002 0.000 0.335 7670 W C -0.557 175.990 176.519 0.047 0.000 1.043 7670 W CA -0.670 56.726 57.345 0.085 0.000 1.239 7670 W CB 1.489 30.987 29.460 0.063 0.000 1.378 7670 W HN 0.781 nan 8.180 nan 0.000 0.456 7671 T N 0.856 115.398 114.554 -0.019 0.000 3.393 7671 T HA 0.156 4.507 4.350 0.002 0.000 0.298 7671 T C -0.201 174.502 174.700 0.005 0.000 1.004 7671 T CA -0.186 61.960 62.100 0.077 0.000 0.956 7671 T CB 0.399 69.277 68.868 0.017 0.000 1.182 7671 T HN 0.478 nan 8.240 nan 0.000 0.497 7672 Q N 0.725 120.461 119.800 -0.107 0.000 2.241 7672 Q HA 0.634 4.975 4.340 0.002 0.000 0.254 7672 Q C 0.284 176.456 176.000 0.288 0.000 0.917 7672 Q CA -0.646 55.143 55.803 -0.023 0.000 0.919 7672 Q CB 1.275 29.837 28.738 -0.293 0.000 1.237 7672 Q HN 0.524 nan 8.270 nan 0.000 0.434 7673 G N 1.618 110.506 108.800 0.148 0.000 2.532 7673 G HA2 0.297 4.259 3.960 0.002 0.000 0.291 7673 G HA3 0.297 4.259 3.960 0.002 0.000 0.291 7673 G C -0.661 174.327 174.900 0.146 0.000 1.349 7673 G CA -0.543 44.635 45.100 0.130 0.000 1.038 7673 G HN 0.606 nan 8.290 nan 0.000 0.518 7674 S N -1.107 114.654 115.700 0.101 0.000 2.617 7674 S HA 0.250 4.721 4.470 0.002 0.000 0.269 7674 S C -0.516 174.183 174.600 0.165 0.000 1.292 7674 S CA -0.463 57.817 58.200 0.132 0.000 1.010 7674 S CB 0.691 63.936 63.200 0.076 0.000 0.944 7674 S HN 0.457 nan 8.310 nan 0.000 0.536 7675 W N 2.883 124.201 121.300 0.030 0.000 2.137 7675 W HA 0.378 5.039 4.660 0.002 0.000 0.344 7675 W C 0.202 176.742 176.519 0.034 0.000 1.286 7675 W CA 0.023 57.388 57.345 0.034 0.000 1.240 7675 W CB 0.372 29.854 29.460 0.037 0.000 1.141 7675 W HN 0.607 nan 8.180 nan 0.000 0.579 7676 T N 3.838 117.865 114.554 -0.879 0.000 2.909 7676 T HA 0.228 4.579 4.350 0.002 0.000 0.299 7676 T C 0.107 173.751 174.700 -1.760 0.000 1.073 7676 T CA -0.863 60.671 62.100 -0.944 0.000 0.999 7676 T CB 1.532 70.140 68.868 -0.433 0.000 1.098 7676 T HN 0.614 nan 8.240 nan 0.000 0.477 7677 L N 2.461 122.836 121.223 -1.414 0.000 2.042 7677 L HA 0.003 4.344 4.340 0.002 0.000 0.210 7677 L C 2.434 179.065 176.870 -0.399 0.000 1.076 7677 L CA 2.289 56.636 54.840 -0.821 0.000 0.749 7677 L CB -1.271 40.693 42.059 -0.158 0.000 0.893 7677 L HN 0.958 nan 8.230 nan 0.000 0.432 7678 T N -1.141 113.212 114.554 -0.336 0.000 2.857 7678 T HA 0.002 4.353 4.350 0.002 0.000 0.266 7678 T C 1.424 176.011 174.700 -0.189 0.000 1.048 7678 T CA 1.212 63.197 62.100 -0.192 0.000 1.139 7678 T CB -0.391 68.382 68.868 -0.158 0.000 0.874 7678 T HN 0.578 nan 8.240 nan 0.000 0.455 7679 G N -0.513 108.117 108.800 -0.283 0.000 2.944 7679 G HA2 0.499 4.460 3.960 0.002 0.000 0.220 7679 G HA3 0.499 4.460 3.960 0.002 0.000 0.220 7679 G C 0.763 175.541 174.900 -0.204 0.000 1.100 7679 G CA 0.362 45.344 45.100 -0.197 0.000 0.780 7679 G HN 0.784 nan 8.290 nan 0.000 0.539 7680 G N 0.117 108.667 108.800 -0.416 0.000 2.598 7680 G HA2 -0.225 3.737 3.960 0.002 0.000 0.244 7680 G HA3 -0.225 3.737 3.960 0.002 0.000 0.244 7680 G C -0.115 174.720 174.900 -0.109 0.000 1.302 7680 G CA -0.334 44.611 45.100 -0.258 0.000 0.903 7680 G HN 0.611 nan 8.290 nan 0.000 0.575 7681 L N 2.967 124.299 121.223 0.181 0.000 2.410 7681 L HA 0.353 4.694 4.340 0.002 0.000 0.273 7681 L C -0.952 175.951 176.870 0.056 0.000 1.152 7681 L CA -1.249 53.690 54.840 0.164 0.000 0.855 7681 L CB 0.684 42.859 42.059 0.193 0.000 1.129 7681 L HN 0.552 nan 8.230 nan 0.000 0.463 7682 P HA 0.139 nan 4.420 nan 0.000 0.278 7682 P C -1.091 176.201 177.300 -0.013 0.000 1.258 7682 P CA -0.727 62.372 63.100 -0.002 0.000 0.811 7682 P CB 0.840 32.536 31.700 -0.006 0.000 1.063 7683 Q N -0.024 119.759 119.800 -0.028 0.000 2.392 7683 Q HA 0.365 4.706 4.340 0.002 0.000 0.262 7683 Q C 0.278 176.239 176.000 -0.065 0.000 1.003 7683 Q CA -0.346 55.429 55.803 -0.047 0.000 0.888 7683 Q CB 0.674 29.387 28.738 -0.042 0.000 1.260 7683 Q HN 0.566 nan 8.270 nan 0.000 0.435 7684 A N 3.175 125.931 122.820 -0.106 0.000 2.561 7684 A HA 0.003 4.324 4.320 0.002 0.000 0.234 7684 A C -0.122 177.414 177.584 -0.079 0.000 1.055 7684 A CA 0.292 52.250 52.037 -0.132 0.000 0.756 7684 A CB 0.204 19.078 19.000 -0.210 0.000 0.986 7684 A HN 0.601 nan 8.150 nan 0.000 0.505 7685 K N 1.342 121.708 120.400 -0.057 0.000 2.168 7685 K HA 0.209 4.530 4.320 0.002 0.000 0.258 7685 K C -0.367 176.210 176.600 -0.039 0.000 1.010 7685 K CA -0.282 55.983 56.287 -0.037 0.000 0.929 7685 K CB 0.737 33.225 32.500 -0.020 0.000 0.998 7685 K HN 0.600 nan 8.250 nan 0.000 0.479 7686 K N 1.935 122.312 120.400 -0.037 0.000 2.339 7686 K HA -0.023 4.298 4.320 0.002 0.000 0.286 7686 K C 0.806 177.384 176.600 -0.036 0.000 1.050 7686 K CA 0.057 56.322 56.287 -0.036 0.000 0.956 7686 K CB 0.786 33.265 32.500 -0.036 0.000 0.990 7686 K HN 0.509 nan 8.250 nan 0.000 0.475 7687 E N 1.873 122.053 120.200 -0.034 0.000 2.172 7687 E HA -0.323 4.028 4.350 0.002 0.000 0.213 7687 E C 1.069 177.639 176.600 -0.049 0.000 1.051 7687 E CA 2.325 58.702 56.400 -0.038 0.000 0.860 7687 E CB 0.087 29.761 29.700 -0.044 0.000 0.755 7687 E HN 0.711 nan 8.360 nan 0.000 0.462 7688 D N -0.413 119.958 120.400 -0.049 0.000 2.371 7688 D HA -0.132 4.509 4.640 0.002 0.000 0.221 7688 D C 1.096 177.360 176.300 -0.060 0.000 0.986 7688 D CA 0.672 54.640 54.000 -0.053 0.000 0.899 7688 D CB -0.180 40.593 40.800 -0.044 0.000 0.902 7688 D HN 0.218 nan 8.370 nan 0.000 0.530 7689 E N -0.502 119.664 120.200 -0.058 0.000 2.444 7689 E HA 0.229 4.580 4.350 0.002 0.000 0.191 7689 E C -0.266 176.285 176.600 -0.082 0.000 1.041 7689 E CA -0.115 56.247 56.400 -0.063 0.000 0.883 7689 E CB 0.323 29.994 29.700 -0.049 0.000 1.024 7689 E HN 0.286 nan 8.360 nan 0.000 0.470 7690 L N 1.221 122.388 121.223 -0.093 0.000 2.471 7690 L HA 0.242 4.584 4.340 0.002 0.000 0.263 7690 L C -1.746 175.014 176.870 -0.184 0.000 0.985 7690 L CA -1.786 52.981 54.840 -0.123 0.000 0.868 7690 L CB 1.769 43.796 42.059 -0.053 0.000 1.203 7690 L HN -0.094 nan 8.230 nan 0.000 0.429 7691 P HA -0.202 nan 4.420 nan 0.000 0.217 7691 P C 0.122 177.136 177.300 -0.476 0.000 1.162 7691 P CA 1.602 64.373 63.100 -0.548 0.000 0.901 7691 P CB -0.022 31.087 31.700 -0.986 0.000 0.793 7692 F N -2.374 117.588 119.950 0.020 0.000 2.450 7692 F HA 0.459 4.987 4.527 0.002 0.000 0.328 7692 F C 1.034 176.904 175.800 0.116 0.000 1.068 7692 F CA -1.106 56.919 58.000 0.041 0.000 1.007 7692 F CB 0.072 39.064 39.000 -0.013 0.000 1.251 7692 F HN -0.080 nan 8.300 nan 0.000 0.492 7693 H N 0.694 119.895 119.070 0.217 0.000 2.762 7693 H HA 0.640 5.197 4.556 0.002 0.000 0.310 7693 H C -1.804 173.586 175.328 0.105 0.000 1.004 7693 H CA -0.580 55.540 56.048 0.121 0.000 1.267 7693 H CB 1.223 31.038 29.762 0.088 0.000 1.437 7693 H HN 0.446 nan 8.280 nan 0.000 0.498 7694 V N 5.796 125.692 119.914 -0.029 0.000 2.581 7694 V HA 0.216 4.338 4.120 0.002 0.000 0.303 7694 V C -0.140 175.799 176.094 -0.259 0.000 1.041 7694 V CA -0.812 61.414 62.300 -0.124 0.000 0.907 7694 V CB 1.933 33.806 31.823 0.084 0.000 0.994 7694 V HN 0.483 nan 8.190 nan 0.000 0.442 7695 V N 3.753 123.520 119.914 -0.244 0.000 2.347 7695 V HA 0.735 4.856 4.120 0.002 0.000 0.280 7695 V C 0.337 176.384 176.094 -0.080 0.000 1.021 7695 V CA -0.353 61.812 62.300 -0.225 0.000 0.847 7695 V CB 1.374 33.027 31.823 -0.283 0.000 0.990 7695 V HN 0.991 nan 8.190 nan 0.000 0.444 7696 A N 4.950 127.722 122.820 -0.081 0.000 2.304 7696 A HA 0.746 5.067 4.320 0.002 0.000 0.314 7696 A C -1.129 176.348 177.584 -0.178 0.000 1.187 7696 A CA -0.468 51.582 52.037 0.021 0.000 0.810 7696 A CB 0.493 19.583 19.000 0.151 0.000 1.183 7696 A HN 0.703 nan 8.150 nan 0.000 0.487 7697 Y N 1.482 121.579 120.300 -0.337 0.000 2.359 7697 Y HA 0.245 4.796 4.550 0.002 0.000 0.334 7697 Y C 0.508 175.922 175.900 -0.810 0.000 1.058 7697 Y CA 0.387 58.122 58.100 -0.609 0.000 1.244 7697 Y CB 1.110 39.037 38.460 -0.889 0.000 1.187 7697 Y HN 0.726 nan 8.280 nan 0.000 0.510 7698 D N 3.729 123.852 120.400 -0.463 0.000 2.441 7698 D HA 0.101 4.742 4.640 0.002 0.000 0.221 7698 D C -0.542 175.606 176.300 -0.254 0.000 1.156 7698 D CA -0.090 53.732 54.000 -0.297 0.000 0.896 7698 D CB -0.120 40.629 40.800 -0.086 0.000 1.028 7698 D HN 0.296 nan 8.370 nan 0.000 0.509 7699 F N 1.634 121.612 119.950 0.046 0.000 2.660 7699 F HA 0.369 4.897 4.527 0.002 0.000 0.302 7699 F C 1.710 177.517 175.800 0.011 0.000 1.103 7699 F CA -0.231 57.789 58.000 0.035 0.000 1.340 7699 F CB 0.358 39.345 39.000 -0.023 0.000 1.048 7699 F HN 0.552 nan 8.300 nan 0.000 0.551 7700 G N 0.432 109.308 108.800 0.127 0.000 2.610 7700 G HA2 0.175 4.136 3.960 0.002 0.000 0.136 7700 G HA3 0.175 4.136 3.960 0.002 0.000 0.136 7700 G C -0.113 174.788 174.900 0.002 0.000 1.070 7700 G CA -0.593 44.535 45.100 0.046 0.000 0.812 7700 G HN 0.493 nan 8.290 nan 0.000 0.495 7701 A N 0.643 123.469 122.820 0.010 0.000 2.440 7701 A HA 0.616 4.938 4.320 0.002 0.000 0.251 7701 A C 0.789 178.357 177.584 -0.026 0.000 1.089 7701 A CA 0.185 52.224 52.037 0.003 0.000 0.779 7701 A CB 0.370 19.370 19.000 -0.001 0.000 1.022 7701 A HN 0.490 nan 8.150 nan 0.000 0.492 7702 K N 2.333 122.719 120.400 -0.024 0.000 2.322 7702 K HA 0.161 4.482 4.320 0.002 0.000 0.283 7702 K C 0.870 177.414 176.600 -0.093 0.000 1.042 7702 K CA -0.406 55.861 56.287 -0.033 0.000 0.958 7702 K CB 1.092 33.590 32.500 -0.004 0.000 0.984 7702 K HN 0.713 nan 8.250 nan 0.000 0.473 7703 R N 1.669 122.124 120.500 -0.075 0.000 2.119 7703 R HA -0.271 4.071 4.340 0.002 0.000 0.246 7703 R C 1.778 177.979 176.300 -0.164 0.000 1.146 7703 R CA 2.067 58.081 56.100 -0.144 0.000 0.962 7703 R CB -0.334 30.021 30.300 0.092 0.000 0.863 7703 R HN 0.602 nan 8.270 nan 0.000 0.442 7704 N N 0.449 119.115 118.700 -0.057 0.000 2.205 7704 N HA -0.133 4.608 4.740 0.002 0.000 0.186 7704 N C 1.559 177.005 175.510 -0.107 0.000 1.015 7704 N CA 1.012 54.034 53.050 -0.047 0.000 0.862 7704 N CB -0.045 38.436 38.487 -0.008 0.000 0.986 7704 N HN 0.179 nan 8.380 nan 0.000 0.429 7705 I N 0.056 120.562 120.570 -0.107 0.000 2.179 7705 I HA -0.261 3.910 4.170 0.002 0.000 0.242 7705 I C 1.812 177.744 176.117 -0.308 0.000 1.088 7705 I CA 0.804 62.038 61.300 -0.110 0.000 1.357 7705 I CB -0.123 37.844 38.000 -0.056 0.000 1.051 7705 I HN 0.190 nan 8.210 nan 0.000 0.409 7706 L N -0.176 120.780 121.223 -0.444 0.000 2.046 7706 L HA -0.223 4.118 4.340 0.002 0.000 0.208 7706 L C 2.699 179.351 176.870 -0.363 0.000 1.077 7706 L CA 1.467 55.934 54.840 -0.622 0.000 0.747 7706 L CB -0.832 40.388 42.059 -1.399 0.000 0.896 7706 L HN 0.182 nan 8.230 nan 0.000 0.432 7707 R N -0.087 120.283 120.500 -0.216 0.000 2.091 7707 R HA -0.136 4.206 4.340 0.002 0.000 0.238 7707 R C 2.337 178.576 176.300 -0.103 0.000 1.136 7707 R CA 1.501 57.616 56.100 0.025 0.000 0.959 7707 R CB -0.311 30.061 30.300 0.121 0.000 0.856 7707 R HN 0.335 nan 8.270 nan 0.000 0.437 7708 M N 0.280 119.710 119.600 -0.284 0.000 2.374 7708 M HA -0.118 4.364 4.480 0.002 0.000 0.264 7708 M C 1.998 178.004 176.300 -0.489 0.000 1.067 7708 M CA 1.268 56.273 55.300 -0.492 0.000 1.103 7708 M CB -0.097 31.975 32.600 -0.880 0.000 1.402 7708 M HN 0.168 nan 8.290 nan 0.000 0.444 7709 L N -0.865 120.150 121.223 -0.346 0.000 2.044 7709 L HA -0.145 4.197 4.340 0.002 0.000 0.205 7709 L C 2.421 179.278 176.870 -0.023 0.000 1.075 7709 L CA 0.773 55.538 54.840 -0.124 0.000 0.747 7709 L CB -0.590 41.424 42.059 -0.076 0.000 0.903 7709 L HN 0.057 nan 8.230 nan 0.000 0.435 7710 V N -0.039 119.874 119.914 -0.000 0.000 2.332 7710 V HA -0.318 3.803 4.120 0.002 0.000 0.248 7710 V C 2.033 178.144 176.094 0.028 0.000 1.055 7710 V CA 1.916 64.257 62.300 0.068 0.000 1.038 7710 V CB -0.618 31.301 31.823 0.160 0.000 0.651 7710 V HN 0.466 nan 8.190 nan 0.000 0.450 7711 D N 0.038 120.429 120.400 -0.015 0.000 2.221 7711 D HA -0.147 4.494 4.640 0.002 0.000 0.204 7711 D C 2.226 178.520 176.300 -0.010 0.000 0.982 7711 D CA 1.047 55.033 54.000 -0.024 0.000 0.857 7711 D CB -0.250 40.511 40.800 -0.065 0.000 0.934 7711 D HN 0.439 nan 8.370 nan 0.000 0.475 7712 R N -0.605 119.896 120.500 0.001 0.000 2.310 7712 R HA 0.238 4.580 4.340 0.002 0.000 0.202 7712 R C 1.143 177.536 176.300 0.155 0.000 0.933 7712 R CA 0.527 56.669 56.100 0.070 0.000 1.054 7712 R CB 0.503 30.849 30.300 0.076 0.000 0.985 7712 R HN 0.138 nan 8.270 nan 0.000 0.489 7713 G N 0.114 108.964 108.800 0.083 0.000 2.138 7713 G HA2 -0.219 3.742 3.960 0.002 0.000 0.193 7713 G HA3 -0.219 3.742 3.960 0.002 0.000 0.193 7713 G C -0.105 174.823 174.900 0.046 0.000 0.998 7713 G CA -0.538 44.550 45.100 -0.019 0.000 0.668 7713 G HN 0.293 nan 8.290 nan 0.000 0.516 7714 C N 1.494 120.882 119.300 0.147 0.000 2.329 7714 C HA 0.806 5.267 4.460 0.002 0.000 0.329 7714 C C 0.767 175.842 174.990 0.143 0.000 1.275 7714 C CA -1.090 58.038 59.018 0.184 0.000 1.726 7714 C CB 0.817 28.665 27.740 0.179 0.000 2.291 7714 C HN 0.713 nan 8.230 nan 0.000 0.514 7715 R N 3.120 123.718 120.500 0.164 0.000 2.407 7715 R HA 0.829 5.171 4.340 0.002 0.000 0.303 7715 R C -1.644 174.816 176.300 0.267 0.000 0.981 7715 R CA -0.371 55.831 56.100 0.170 0.000 0.905 7715 R CB 0.603 30.959 30.300 0.093 0.000 1.099 7715 R HN 0.761 nan 8.270 nan 0.000 0.459 7716 L N 1.830 123.193 121.223 0.233 0.000 2.354 7716 L HA 0.466 4.807 4.340 0.002 0.000 0.269 7716 L C -0.392 176.581 176.870 0.172 0.000 1.005 7716 L CA -1.078 53.882 54.840 0.199 0.000 0.819 7716 L CB 2.608 44.724 42.059 0.093 0.000 1.311 7716 L HN 0.675 nan 8.230 nan 0.000 0.423 7717 T N 2.838 117.472 114.554 0.133 0.000 2.756 7717 T HA 0.512 4.863 4.350 0.002 0.000 0.290 7717 T C -0.259 174.350 174.700 -0.151 0.000 0.985 7717 T CA -0.371 61.756 62.100 0.045 0.000 0.955 7717 T CB 0.696 69.661 68.868 0.161 0.000 0.930 7717 T HN 0.094 nan 8.240 nan 0.000 0.451 7718 I N 4.960 125.329 120.570 -0.334 0.000 2.325 7718 I HA 0.380 4.551 4.170 0.002 0.000 0.291 7718 I C 0.442 176.324 176.117 -0.391 0.000 1.019 7718 I CA -1.210 59.784 61.300 -0.510 0.000 1.302 7718 I CB 0.424 37.751 38.000 -1.122 0.000 1.401 7718 I HN 0.416 nan 8.210 nan 0.000 0.485 7719 V N 5.325 125.030 119.914 -0.348 0.000 2.960 7719 V HA 0.787 4.908 4.120 0.002 0.000 0.315 7719 V C -2.668 173.282 176.094 -0.241 0.000 1.087 7719 V CA -2.532 59.592 62.300 -0.293 0.000 0.982 7719 V CB 1.750 33.328 31.823 -0.409 0.000 1.039 7719 V HN 0.470 nan 8.190 nan 0.000 0.437 7720 P HA 0.139 nan 4.420 nan 0.000 0.267 7720 P C 0.819 178.123 177.300 0.007 0.000 1.201 7720 P CA 0.747 63.825 63.100 -0.035 0.000 0.775 7720 P CB 0.654 32.349 31.700 -0.008 0.000 0.854 7721 A N 2.802 125.679 122.820 0.095 0.000 1.917 7721 A HA -0.246 4.075 4.320 0.002 0.000 0.219 7721 A C 1.612 179.418 177.584 0.370 0.000 1.182 7721 A CA 1.751 53.988 52.037 0.333 0.000 0.633 7721 A CB -1.207 18.014 19.000 0.369 0.000 0.819 7721 A HN 0.668 nan 8.150 nan 0.000 0.448 7722 Q N 0.316 120.105 119.800 -0.017 0.000 2.239 7722 Q HA 0.133 4.474 4.340 0.002 0.000 0.219 7722 Q C -0.398 175.683 176.000 0.136 0.000 0.901 7722 Q CA -0.158 55.582 55.803 -0.105 0.000 0.949 7722 Q CB -0.054 28.454 28.738 -0.382 0.000 1.038 7722 Q HN 0.444 nan 8.270 nan 0.000 0.458 7723 T N 1.431 116.147 114.554 0.270 0.000 2.930 7723 T HA 0.100 4.451 4.350 0.002 0.000 0.306 7723 T C 0.476 175.370 174.700 0.324 0.000 1.045 7723 T CA -0.224 61.985 62.100 0.182 0.000 1.134 7723 T CB 0.799 69.625 68.868 -0.070 0.000 0.961 7723 T HN 0.382 nan 8.240 nan 0.000 0.545 7724 S N 2.164 117.981 115.700 0.195 0.000 2.592 7724 S HA 0.451 4.922 4.470 0.002 0.000 0.271 7724 S C 1.712 176.444 174.600 0.221 0.000 1.326 7724 S CA -0.454 57.844 58.200 0.164 0.000 1.024 7724 S CB 0.998 64.252 63.200 0.090 0.000 0.921 7724 S HN 0.772 nan 8.310 nan 0.000 0.527 7725 A N 2.038 124.891 122.820 0.055 0.000 1.917 7725 A HA -0.134 4.188 4.320 0.002 0.000 0.219 7725 A C 1.982 179.732 177.584 0.276 0.000 1.182 7725 A CA 2.099 54.124 52.037 -0.021 0.000 0.633 7725 A CB -1.290 17.446 19.000 -0.440 0.000 0.819 7725 A HN 0.930 nan 8.150 nan 0.000 0.448 7726 E N 0.859 121.138 120.200 0.132 0.000 2.035 7726 E HA -0.200 4.151 4.350 0.002 0.000 0.204 7726 E C 1.685 178.364 176.600 0.132 0.000 1.025 7726 E CA 1.783 58.253 56.400 0.117 0.000 0.835 7726 E CB -0.372 29.369 29.700 0.069 0.000 0.764 7726 E HN 0.684 nan 8.360 nan 0.000 0.457 7727 D N 0.058 120.528 120.400 0.118 0.000 2.178 7727 D HA -0.112 4.529 4.640 0.002 0.000 0.201 7727 D C 2.058 178.420 176.300 0.103 0.000 0.980 7727 D CA 0.872 54.927 54.000 0.093 0.000 0.842 7727 D CB -0.208 40.630 40.800 0.063 0.000 0.948 7727 D HN 0.052 nan 8.370 nan 0.000 0.472 7728 V N 1.732 121.740 119.914 0.156 0.000 2.261 7728 V HA -0.239 3.882 4.120 0.002 0.000 0.246 7728 V C 2.732 178.897 176.094 0.118 0.000 1.047 7728 V CA 1.264 63.639 62.300 0.125 0.000 1.015 7728 V CB -0.646 31.314 31.823 0.229 0.000 0.642 7728 V HN 0.156 nan 8.190 nan 0.000 0.446 7729 L N -0.450 120.900 121.223 0.211 0.000 2.261 7729 L HA -0.209 4.132 4.340 0.002 0.000 0.216 7729 L C 2.427 179.371 176.870 0.124 0.000 1.114 7729 L CA 1.503 56.447 54.840 0.174 0.000 0.777 7729 L CB -0.664 41.526 42.059 0.218 0.000 0.910 7729 L HN 0.319 nan 8.230 nan 0.000 0.440 7730 K N -0.293 120.173 120.400 0.110 0.000 2.365 7730 K HA -0.038 4.283 4.320 0.002 0.000 0.199 7730 K C 1.856 178.509 176.600 0.088 0.000 1.045 7730 K CA 0.932 57.273 56.287 0.089 0.000 0.962 7730 K CB -0.025 32.520 32.500 0.075 0.000 0.759 7730 K HN 0.353 nan 8.250 nan 0.000 0.469 7731 M N -0.005 119.653 119.600 0.096 0.000 2.556 7731 M HA 0.017 4.498 4.480 0.002 0.000 0.245 7731 M C -0.428 175.970 176.300 0.163 0.000 1.128 7731 M CA 0.529 55.906 55.300 0.128 0.000 1.069 7731 M CB -0.195 32.499 32.600 0.156 0.000 1.469 7731 M HN 0.137 nan 8.290 nan 0.000 0.494 7732 N N -0.142 118.636 118.700 0.130 0.000 2.740 7732 N HA -0.104 4.638 4.740 0.002 0.000 0.248 7732 N C -2.481 173.133 175.510 0.173 0.000 1.062 7732 N CA -0.401 52.736 53.050 0.145 0.000 0.704 7732 N CB -1.492 37.070 38.487 0.126 0.000 0.968 7732 N HN 0.293 nan 8.380 nan 0.000 0.547 7733 P HA -0.076 nan 4.420 nan 0.000 0.266 7733 P C 0.090 177.463 177.300 0.122 0.000 1.186 7733 P CA 0.379 63.464 63.100 -0.027 0.000 0.767 7733 P CB 0.637 32.232 31.700 -0.175 0.000 0.820 7734 D N 0.256 120.721 120.400 0.108 0.000 2.317 7734 D HA 0.110 4.751 4.640 0.002 0.000 0.211 7734 D C 1.128 177.469 176.300 0.068 0.000 0.966 7734 D CA 1.120 55.242 54.000 0.205 0.000 0.876 7734 D CB 0.303 41.218 40.800 0.192 0.000 0.927 7734 D HN 0.635 nan 8.370 nan 0.000 0.519 7735 G N -0.263 108.512 108.800 -0.040 0.000 2.489 7735 G HA2 0.469 4.430 3.960 0.002 0.000 0.291 7735 G HA3 0.469 4.430 3.960 0.002 0.000 0.291 7735 G C -1.679 173.248 174.900 0.045 0.000 1.487 7735 G CA -0.774 44.316 45.100 -0.016 0.000 0.795 7735 G HN -0.004 nan 8.290 nan 0.000 0.513 7736 I N 0.640 121.271 120.570 0.102 0.000 2.406 7736 I HA 0.487 4.658 4.170 0.002 0.000 0.290 7736 I C -1.074 175.109 176.117 0.110 0.000 0.999 7736 I CA -0.746 60.547 61.300 -0.012 0.000 1.124 7736 I CB 2.004 39.801 38.000 -0.338 0.000 1.289 7736 I HN 0.454 nan 8.210 nan 0.000 0.441 7737 F N 7.563 127.492 119.950 -0.036 0.000 2.469 7737 F HA 0.658 5.186 4.527 0.002 0.000 0.332 7737 F C -1.316 174.395 175.800 -0.149 0.000 1.103 7737 F CA -0.691 57.211 58.000 -0.162 0.000 0.979 7737 F CB 1.160 40.111 39.000 -0.082 0.000 1.137 7737 F HN 0.181 nan 8.300 nan 0.000 0.463 7738 L N 6.188 126.639 121.223 -1.287 0.000 2.318 7738 L HA 0.391 4.732 4.340 0.002 0.000 0.277 7738 L C 0.299 176.379 176.870 -1.317 0.000 1.008 7738 L CA -0.722 53.581 54.840 -0.896 0.000 0.846 7738 L CB 1.247 43.078 42.059 -0.380 0.000 1.220 7738 L HN 0.759 nan 8.230 nan 0.000 0.423 7739 S N 3.042 118.215 115.700 -0.878 0.000 2.606 7739 S HA 0.207 4.678 4.470 0.002 0.000 0.257 7739 S C 0.219 174.771 174.600 -0.080 0.000 1.327 7739 S CA -0.634 57.336 58.200 -0.384 0.000 0.984 7739 S CB 0.555 63.707 63.200 -0.081 0.000 0.941 7739 S HN 0.746 nan 8.310 nan 0.000 0.576 7740 N N 0.388 119.079 118.700 -0.014 0.000 2.379 7740 N HA 0.591 5.332 4.740 0.002 0.000 0.260 7740 N C 0.007 175.543 175.510 0.042 0.000 1.254 7740 N CA -0.173 52.870 53.050 -0.013 0.000 0.958 7740 N CB 0.767 39.245 38.487 -0.014 0.000 1.208 7740 N HN 1.032 nan 8.380 nan 0.000 0.532 7741 G N -0.869 107.934 108.800 0.004 0.000 2.411 7741 G HA2 0.339 4.300 3.960 0.002 0.000 0.295 7741 G HA3 0.339 4.300 3.960 0.002 0.000 0.295 7741 G C -3.270 171.625 174.900 -0.010 0.000 1.542 7741 G CA -0.889 44.226 45.100 0.026 0.000 0.814 7741 G HN 0.479 nan 8.290 nan 0.000 0.557 7742 P HA 0.396 nan 4.420 nan 0.000 0.272 7742 P C 1.284 178.599 177.300 0.024 0.000 1.248 7742 P CA 1.264 64.387 63.100 0.037 0.000 0.799 7742 P CB 0.229 31.977 31.700 0.081 0.000 0.997 7743 G N 0.036 108.885 108.800 0.081 0.000 2.566 7743 G HA2 -0.257 3.704 3.960 0.002 0.000 0.308 7743 G HA3 -0.257 3.704 3.960 0.002 0.000 0.308 7743 G C -0.355 174.437 174.900 -0.179 0.000 1.317 7743 G CA 0.247 45.390 45.100 0.072 0.000 0.930 7743 G HN 0.727 nan 8.290 nan 0.000 0.547 7744 D N 1.088 121.256 120.400 -0.386 0.000 2.390 7744 D HA 0.343 4.984 4.640 0.002 0.000 0.249 7744 D C -0.374 175.556 176.300 -0.616 0.000 1.144 7744 D CA -1.430 52.014 54.000 -0.928 0.000 0.880 7744 D CB 1.384 41.834 40.800 -0.584 0.000 1.182 7744 D HN 0.057 nan 8.370 nan 0.000 0.451 7745 P HA 0.013 nan 4.420 nan 0.000 0.222 7745 P C 1.064 178.104 177.300 -0.434 0.000 1.157 7745 P CA 0.538 63.340 63.100 -0.497 0.000 0.816 7745 P CB 0.147 31.577 31.700 -0.449 0.000 0.813 7746 A N 1.806 124.386 122.820 -0.399 0.000 1.915 7746 A HA -0.164 4.157 4.320 0.002 0.000 0.220 7746 A C -0.119 177.302 177.584 -0.272 0.000 1.198 7746 A CA 2.405 54.267 52.037 -0.292 0.000 0.647 7746 A CB -2.433 16.434 19.000 -0.221 0.000 0.825 7746 A HN 0.253 nan 8.150 nan 0.000 0.456 7747 P HA 0.053 nan 4.420 nan 0.000 0.237 7747 P C -0.139 176.983 177.300 -0.297 0.000 1.178 7747 P CA 0.381 63.350 63.100 -0.219 0.000 0.766 7747 P CB -0.534 31.073 31.700 -0.155 0.000 0.876 7748 C N 2.142 121.169 119.300 -0.456 0.000 2.518 7748 C HA 0.081 4.542 4.460 0.002 0.000 0.456 7748 C C 1.665 176.098 174.990 -0.928 0.000 1.016 7748 C CA -0.670 57.828 59.018 -0.866 0.000 1.210 7748 C CB -2.011 25.211 27.740 -0.864 0.000 1.542 7748 C HN 0.349 nan 8.230 nan 0.000 0.545 7749 D N 1.724 121.737 120.400 -0.646 0.000 2.104 7749 D HA -0.292 4.349 4.640 0.002 0.000 0.194 7749 D C 1.496 177.581 176.300 -0.359 0.000 0.994 7749 D CA 1.836 55.606 54.000 -0.383 0.000 0.830 7749 D CB -0.712 39.989 40.800 -0.165 0.000 0.959 7749 D HN 0.661 nan 8.370 nan 0.000 0.452 7750 Y N 0.382 120.629 120.300 -0.089 0.000 2.114 7750 Y HA -0.067 4.484 4.550 0.002 0.000 0.282 7750 Y C 2.646 178.485 175.900 -0.101 0.000 1.165 7750 Y CA 1.015 59.077 58.100 -0.063 0.000 1.148 7750 Y CB -1.229 37.229 38.460 -0.002 0.000 0.972 7750 Y HN 0.107 nan 8.280 nan 0.000 0.504 7751 A N 0.917 123.596 122.820 -0.236 0.000 1.929 7751 A HA -0.013 4.308 4.320 0.002 0.000 0.216 7751 A C 2.278 179.679 177.584 -0.305 0.000 1.176 7751 A CA 1.484 53.392 52.037 -0.215 0.000 0.628 7751 A CB -1.089 17.739 19.000 -0.286 0.000 0.816 7751 A HN 0.564 nan 8.150 nan 0.000 0.444 7752 I N -0.468 119.885 120.570 -0.361 0.000 2.226 7752 I HA -0.242 3.930 4.170 0.002 0.000 0.245 7752 I C 2.644 178.622 176.117 -0.231 0.000 1.100 7752 I CA 1.732 62.857 61.300 -0.292 0.000 1.374 7752 I CB -0.571 37.255 38.000 -0.289 0.000 1.057 7752 I HN 0.243 nan 8.210 nan 0.000 0.413 7753 T N 0.683 115.114 114.554 -0.206 0.000 2.622 7753 T HA -0.225 4.126 4.350 0.002 0.000 0.266 7753 T C 2.073 176.630 174.700 -0.237 0.000 1.047 7753 T CA 1.744 63.740 62.100 -0.173 0.000 1.159 7753 T CB -0.435 68.365 68.868 -0.114 0.000 0.863 7753 T HN 0.490 nan 8.240 nan 0.000 0.422 7754 A N 1.092 123.749 122.820 -0.272 0.000 1.892 7754 A HA -0.115 4.206 4.320 0.002 0.000 0.218 7754 A C 2.288 179.398 177.584 -0.789 0.000 1.188 7754 A CA 1.710 53.439 52.037 -0.513 0.000 0.631 7754 A CB -0.960 17.847 19.000 -0.321 0.000 0.822 7754 A HN 0.582 nan 8.150 nan 0.000 0.447 7755 I N -0.860 119.465 120.570 -0.409 0.000 2.286 7755 I HA -0.325 3.846 4.170 0.002 0.000 0.248 7755 I C 2.740 178.759 176.117 -0.163 0.000 1.115 7755 I CA 1.601 62.798 61.300 -0.171 0.000 1.392 7755 I CB -0.475 37.462 38.000 -0.104 0.000 1.065 7755 I HN 0.428 nan 8.210 nan 0.000 0.418 7756 Q N 0.708 120.387 119.800 -0.201 0.000 2.135 7756 Q HA -0.263 4.079 4.340 0.002 0.000 0.204 7756 Q C 2.191 178.114 176.000 -0.128 0.000 0.981 7756 Q CA 1.749 57.468 55.803 -0.141 0.000 0.856 7756 Q CB -0.001 28.656 28.738 -0.136 0.000 0.902 7756 Q HN 0.340 nan 8.270 nan 0.000 0.425 7757 K N -0.314 119.949 120.400 -0.228 0.000 2.025 7757 K HA -0.107 4.215 4.320 0.002 0.000 0.207 7757 K C 1.635 178.200 176.600 -0.058 0.000 1.049 7757 K CA 1.245 57.420 56.287 -0.187 0.000 0.933 7757 K CB -0.134 32.168 32.500 -0.330 0.000 0.714 7757 K HN 0.089 nan 8.250 nan 0.000 0.438 7758 F N 0.817 120.766 119.950 -0.001 0.000 2.161 7758 F HA -0.122 4.406 4.527 0.002 0.000 0.300 7758 F C 1.699 177.490 175.800 -0.014 0.000 1.089 7758 F CA 0.903 58.901 58.000 -0.002 0.000 1.282 7758 F CB -0.880 38.120 39.000 0.000 0.000 1.010 7758 F HN -0.064 nan 8.300 nan 0.000 0.485 7759 L N -0.365 120.928 121.223 0.118 0.000 2.633 7759 L HA -0.111 4.230 4.340 0.002 0.000 0.235 7759 L C 1.819 178.718 176.870 0.048 0.000 1.163 7759 L CA 0.784 55.663 54.840 0.064 0.000 0.859 7759 L CB -0.535 41.538 42.059 0.024 0.000 0.973 7759 L HN 0.194 nan 8.230 nan 0.000 0.451 7760 E N -0.957 119.273 120.200 0.050 0.000 2.340 7760 E HA -0.036 4.315 4.350 0.002 0.000 0.194 7760 E C 1.170 177.806 176.600 0.059 0.000 0.996 7760 E CA 0.555 56.980 56.400 0.041 0.000 0.869 7760 E CB 0.362 30.079 29.700 0.028 0.000 0.835 7760 E HN 0.478 nan 8.360 nan 0.000 0.493 7761 T N -1.876 112.726 114.554 0.080 0.000 2.867 7761 T HA 0.151 4.503 4.350 0.002 0.000 0.286 7761 T C 0.575 175.311 174.700 0.061 0.000 1.022 7761 T CA -0.683 61.468 62.100 0.085 0.000 0.933 7761 T CB 0.962 69.893 68.868 0.106 0.000 1.280 7761 T HN -0.276 nan 8.240 nan 0.000 0.566 7762 D N -0.008 120.431 120.400 0.065 0.000 2.368 7762 D HA 0.284 4.925 4.640 0.002 0.000 0.218 7762 D C 0.275 176.436 176.300 -0.232 0.000 1.112 7762 D CA -0.077 53.944 54.000 0.034 0.000 0.834 7762 D CB -0.005 40.891 40.800 0.161 0.000 0.953 7762 D HN 0.513 nan 8.370 nan 0.000 0.505 7763 I N 2.865 123.222 120.570 -0.354 0.000 2.533 7763 I HA 0.075 4.246 4.170 0.002 0.000 0.284 7763 I C -2.067 173.856 176.117 -0.323 0.000 1.109 7763 I CA -1.459 59.436 61.300 -0.675 0.000 1.412 7763 I CB 0.334 38.086 38.000 -0.414 0.000 1.396 7763 I HN -0.362 nan 8.210 nan 0.000 0.543 7764 P HA 0.124 nan 4.420 nan 0.000 0.268 7764 P C -0.646 176.730 177.300 0.126 0.000 1.204 7764 P CA -0.006 63.091 63.100 -0.005 0.000 0.768 7764 P CB 0.795 32.529 31.700 0.057 0.000 0.842 7765 V N 4.567 124.561 119.914 0.133 0.000 2.604 7765 V HA 0.557 4.678 4.120 0.002 0.000 0.305 7765 V C -0.737 175.300 176.094 -0.096 0.000 1.043 7765 V CA -0.409 61.908 62.300 0.027 0.000 0.888 7765 V CB 1.593 33.410 31.823 -0.010 0.000 0.995 7765 V HN 0.401 nan 8.190 nan 0.000 0.429 7766 F N 3.194 122.765 119.950 -0.631 0.000 2.573 7766 F HA 0.857 5.385 4.527 0.002 0.000 0.316 7766 F C 0.032 175.372 175.800 -0.766 0.000 1.148 7766 F CA -0.879 56.486 58.000 -1.058 0.000 0.940 7766 F CB 1.841 39.709 39.000 -1.887 0.000 1.214 7766 F HN 0.600 nan 8.300 nan 0.000 0.448 7767 G N 5.917 114.182 108.800 -0.893 0.000 2.524 7767 G HA2 0.719 4.680 3.960 0.002 0.000 0.310 7767 G HA3 0.719 4.680 3.960 0.002 0.000 0.310 7767 G C -1.589 172.837 174.900 -0.791 0.000 1.279 7767 G CA -0.684 43.888 45.100 -0.881 0.000 0.974 7767 G HN 0.698 nan 8.290 nan 0.000 0.484 7771 G N -0.692 107.980 108.800 -0.214 0.000 2.462 7771 G HA2 -0.343 3.618 3.960 0.002 0.000 0.220 7771 G HA3 -0.343 3.618 3.960 0.002 0.000 0.220 7771 G C 1.273 176.024 174.900 -0.247 0.000 1.121 7771 G CA 1.445 46.385 45.100 -0.266 0.000 0.758 7771 G HN 0.730 nan 8.290 nan 0.000 0.559 7772 H N -0.311 118.574 119.070 -0.309 0.000 2.436 7772 H HA 0.123 4.681 4.556 0.002 0.000 0.294 7772 H C 2.470 177.662 175.328 -0.226 0.000 1.048 7772 H CA 1.521 57.415 56.048 -0.257 0.000 1.353 7772 H CB -0.032 29.587 29.762 -0.239 0.000 1.414 7772 H HN 0.394 nan 8.280 nan 0.000 0.536 7773 Q N 0.278 119.923 119.800 -0.259 0.000 2.119 7773 Q HA -0.058 4.283 4.340 0.002 0.000 0.201 7773 Q C 2.365 178.166 176.000 -0.331 0.000 0.972 7773 Q CA 1.526 57.145 55.803 -0.307 0.000 0.847 7773 Q CB 0.113 28.729 28.738 -0.203 0.000 0.903 7773 Q HN 0.504 nan 8.270 nan 0.000 0.433 7774 L N 0.074 121.094 121.223 -0.338 0.000 2.027 7774 L HA -0.179 4.162 4.340 0.002 0.000 0.206 7774 L C 2.324 179.022 176.870 -0.286 0.000 1.074 7774 L CA 0.564 55.195 54.840 -0.350 0.000 0.745 7774 L CB -0.463 41.337 42.059 -0.432 0.000 0.898 7774 L HN 0.286 nan 8.230 nan 0.000 0.433 7775 L N 0.261 121.322 121.223 -0.269 0.000 2.131 7775 L HA -0.132 4.209 4.340 0.002 0.000 0.210 7775 L C 2.513 179.255 176.870 -0.213 0.000 1.092 7775 L CA 1.899 56.611 54.840 -0.213 0.000 0.759 7775 L CB -0.663 41.279 42.059 -0.196 0.000 0.903 7775 L HN 0.134 nan 8.230 nan 0.000 0.435 7776 A N -0.352 122.297 122.820 -0.285 0.000 1.873 7776 A HA -0.106 4.215 4.320 0.002 0.000 0.215 7776 A C 2.219 179.683 177.584 -0.199 0.000 1.186 7776 A CA 1.837 53.718 52.037 -0.260 0.000 0.616 7776 A CB -0.850 17.941 19.000 -0.348 0.000 0.823 7776 A HN 0.485 nan 8.150 nan 0.000 0.442 7777 L N -0.549 120.544 121.223 -0.217 0.000 2.017 7777 L HA -0.190 4.151 4.340 0.002 0.000 0.208 7777 L C 3.061 179.830 176.870 -0.168 0.000 1.073 7777 L CA 1.181 55.907 54.840 -0.191 0.000 0.745 7777 L CB -0.568 41.357 42.059 -0.224 0.000 0.894 7777 L HN 0.409 nan 8.230 nan 0.000 0.432 7778 A N -1.417 121.296 122.820 -0.179 0.000 2.024 7778 A HA -0.210 4.111 4.320 0.002 0.000 0.220 7778 A C 2.470 179.986 177.584 -0.113 0.000 1.164 7778 A CA 2.094 54.042 52.037 -0.150 0.000 0.643 7778 A CB -0.511 18.400 19.000 -0.149 0.000 0.806 7778 A HN 0.337 nan 8.150 nan 0.000 0.451 7779 S N -2.502 113.131 115.700 -0.110 0.000 2.558 7779 S HA 0.349 4.820 4.470 0.002 0.000 0.217 7779 S C 1.286 175.842 174.600 -0.073 0.000 0.975 7779 S CA 1.136 59.288 58.200 -0.080 0.000 0.912 7779 S CB -0.014 63.145 63.200 -0.068 0.000 0.776 7779 S HN 1.620 nan 8.310 nan 0.000 0.526 7780 G N 0.243 108.991 108.800 -0.088 0.000 2.184 7780 G HA2 -0.084 3.877 3.960 0.002 0.000 0.206 7780 G HA3 -0.084 3.877 3.960 0.002 0.000 0.206 7780 G C 0.140 174.994 174.900 -0.077 0.000 0.995 7780 G CA -0.012 45.042 45.100 -0.076 0.000 0.651 7780 G HN 0.782 nan 8.290 nan 0.000 0.511 7781 A N -0.154 122.609 122.820 -0.094 0.000 2.240 7781 A HA 0.833 5.154 4.320 0.002 0.000 0.292 7781 A C 0.402 177.927 177.584 -0.098 0.000 1.121 7781 A CA -0.156 51.827 52.037 -0.089 0.000 0.851 7781 A CB 0.744 19.684 19.000 -0.100 0.000 1.167 7781 A HN 0.300 nan 8.150 nan 0.000 0.503 7782 K N 0.018 120.368 120.400 -0.083 0.000 2.267 7782 K HA 0.587 4.908 4.320 0.002 0.000 0.246 7782 K C -0.746 175.811 176.600 -0.072 0.000 0.954 7782 K CA -0.432 55.809 56.287 -0.077 0.000 0.824 7782 K CB 1.913 34.380 32.500 -0.056 0.000 1.167 7782 K HN 0.852 nan 8.250 nan 0.000 0.431 7783 T N -2.237 112.279 114.554 -0.063 0.000 2.912 7783 T HA 0.675 5.026 4.350 0.002 0.000 0.288 7783 T C -0.099 174.620 174.700 0.031 0.000 1.030 7783 T CA -0.758 61.325 62.100 -0.028 0.000 1.020 7783 T CB 1.367 70.200 68.868 -0.057 0.000 1.056 7783 T HN 0.439 nan 8.240 nan 0.000 0.480 7784 V N -0.820 119.141 119.914 0.079 0.000 3.007 7784 V HA 0.739 4.860 4.120 0.002 0.000 0.311 7784 V C -0.592 175.572 176.094 0.117 0.000 1.120 7784 V CA -1.390 60.961 62.300 0.084 0.000 0.980 7784 V CB 1.804 33.633 31.823 0.009 0.000 1.033 7784 V HN 1.207 nan 8.190 nan 0.000 0.429 7785 K N 2.974 123.386 120.400 0.019 0.000 2.205 7785 K HA 0.589 4.911 4.320 0.002 0.000 0.279 7785 K C -0.216 176.223 176.600 -0.267 0.000 1.027 7785 K CA -0.618 55.474 56.287 -0.325 0.000 0.932 7785 K CB 1.170 33.433 32.500 -0.395 0.000 1.032 7785 K HN 0.845 nan 8.250 nan 0.000 0.466 7786 M N 3.593 122.979 119.600 -0.358 0.000 2.255 7786 M HA 0.065 4.546 4.480 0.002 0.000 0.336 7786 M C 1.403 177.546 176.300 -0.261 0.000 1.135 7786 M CA 0.059 55.176 55.300 -0.305 0.000 1.145 7786 M CB 1.189 33.551 32.600 -0.397 0.000 1.473 7786 M HN 0.711 nan 8.290 nan 0.000 0.462 7787 K N 1.627 121.884 120.400 -0.239 0.000 2.044 7787 K HA -0.198 4.123 4.320 0.002 0.000 0.210 7787 K C 0.984 177.572 176.600 -0.020 0.000 1.049 7787 K CA 2.336 58.547 56.287 -0.126 0.000 0.927 7787 K CB 0.093 32.530 32.500 -0.105 0.000 0.713 7787 K HN 0.728 nan 8.250 nan 0.000 0.443 7788 F N -3.275 116.629 119.950 -0.077 0.000 2.912 7788 F HA 0.424 4.953 4.527 0.002 0.000 0.357 7788 F C 0.398 176.121 175.800 -0.129 0.000 1.003 7788 F CA 0.066 58.023 58.000 -0.071 0.000 1.132 7788 F CB 0.322 39.323 39.000 0.001 0.000 1.055 7788 F HN 0.164 nan 8.300 nan 0.000 0.572 7789 G N 1.099 109.683 108.800 -0.360 0.000 2.660 7789 G HA2 -0.088 3.873 3.960 0.002 0.000 0.215 7789 G HA3 -0.088 3.873 3.960 0.002 0.000 0.215 7789 G C -1.318 173.280 174.900 -0.504 0.000 1.345 7789 G CA -0.413 44.373 45.100 -0.524 0.000 0.877 7789 G HN 0.800 nan 8.290 nan 0.000 0.549 7790 H N 0.089 118.550 119.070 -1.014 0.000 2.906 7790 H HA 0.573 5.130 4.556 0.002 0.000 0.324 7790 H C -0.983 173.800 175.328 -0.908 0.000 0.973 7790 H CA -0.615 54.990 56.048 -0.739 0.000 1.321 7790 H CB 1.309 30.656 29.762 -0.691 0.000 1.535 7790 H HN 0.633 nan 8.280 nan 0.000 0.518 7791 H N 2.019 121.136 119.070 0.077 0.000 3.108 7791 H HA 0.577 5.134 4.556 0.002 0.000 0.329 7791 H C 0.012 175.441 175.328 0.167 0.000 0.978 7791 H CA -0.617 55.500 56.048 0.116 0.000 1.413 7791 H CB 1.961 31.788 29.762 0.107 0.000 1.670 7791 H HN 0.949 nan 8.280 nan 0.000 0.512 7792 G N 0.236 109.198 108.800 0.269 0.000 2.321 7792 G HA2 0.385 4.346 3.960 0.002 0.000 0.298 7792 G HA3 0.385 4.346 3.960 0.002 0.000 0.298 7792 G C -0.315 174.704 174.900 0.197 0.000 1.385 7792 G CA -0.271 44.977 45.100 0.247 0.000 0.856 7792 G HN 0.741 nan 8.290 nan 0.000 0.584 7793 G N -0.678 108.223 108.800 0.168 0.000 4.100 7793 G HA2 0.406 4.367 3.960 0.002 0.000 0.294 7793 G HA3 0.406 4.367 3.960 0.002 0.000 0.294 7793 G C 0.441 175.405 174.900 0.106 0.000 1.040 7793 G CA 0.664 45.843 45.100 0.132 0.000 0.829 7793 G HN 1.060 nan 8.290 nan 0.000 0.505 7794 N N -0.993 117.778 118.700 0.118 0.000 2.197 7794 N HA 0.078 4.819 4.740 0.002 0.000 0.228 7794 N C -0.314 175.160 175.510 -0.059 0.000 1.212 7794 N CA -0.652 52.442 53.050 0.072 0.000 0.883 7794 N CB -0.476 38.088 38.487 0.129 0.000 1.107 7794 N HN 0.320 nan 8.380 nan 0.000 0.519 7795 H N 2.654 121.599 119.070 -0.207 0.000 3.017 7795 H HA 0.231 4.788 4.556 0.002 0.000 0.276 7795 H C -2.199 172.831 175.328 -0.496 0.000 1.062 7795 H CA -1.192 54.510 56.048 -0.577 0.000 1.486 7795 H CB 0.920 30.459 29.762 -0.372 0.000 1.507 7795 H HN 0.159 nan 8.280 nan 0.000 0.508 7796 P HA 0.068 nan 4.420 nan 0.000 0.285 7796 P C -1.039 176.220 177.300 -0.068 0.000 1.259 7796 P CA -0.263 62.677 63.100 -0.268 0.000 0.794 7796 P CB 1.719 33.253 31.700 -0.276 0.000 0.940 7797 V N 4.002 123.945 119.914 0.048 0.000 2.638 7797 V HA 0.345 4.466 4.120 0.002 0.000 0.306 7797 V C 0.269 176.457 176.094 0.157 0.000 1.052 7797 V CA -0.749 61.626 62.300 0.124 0.000 0.885 7797 V CB 2.122 34.049 31.823 0.173 0.000 0.999 7797 V HN 0.468 nan 8.190 nan 0.000 0.424 7798 K N 2.733 123.228 120.400 0.158 0.000 2.201 7798 K HA 0.288 4.609 4.320 0.002 0.000 0.278 7798 K C -0.573 176.151 176.600 0.207 0.000 1.027 7798 K CA -0.541 55.835 56.287 0.148 0.000 0.909 7798 K CB 0.916 33.467 32.500 0.085 0.000 1.062 7798 K HN 0.751 nan 8.250 nan 0.000 0.465 7799 D N 4.850 125.351 120.400 0.168 0.000 2.422 7799 D HA -0.001 4.640 4.640 0.002 0.000 0.227 7799 D C 1.230 177.484 176.300 -0.077 0.000 1.190 7799 D CA -0.398 53.599 54.000 -0.005 0.000 0.905 7799 D CB 0.917 41.747 40.800 0.049 0.000 1.034 7799 D HN 0.381 nan 8.370 nan 0.000 0.507 7800 V N 2.326 122.166 119.914 -0.123 0.000 2.392 7800 V HA -0.252 3.870 4.120 0.002 0.000 0.249 7800 V C 1.823 177.874 176.094 -0.072 0.000 1.059 7800 V CA 1.466 63.725 62.300 -0.068 0.000 1.051 7800 V CB -0.837 30.956 31.823 -0.051 0.000 0.658 7800 V HN 0.380 nan 8.190 nan 0.000 0.455 7801 E N 0.976 121.108 120.200 -0.112 0.000 2.017 7801 E HA -0.191 4.160 4.350 0.002 0.000 0.193 7801 E C 2.271 178.832 176.600 -0.065 0.000 0.997 7801 E CA 1.846 58.192 56.400 -0.091 0.000 0.804 7801 E CB -0.296 29.335 29.700 -0.115 0.000 0.757 7801 E HN 0.636 nan 8.360 nan 0.000 0.448 7802 K N -0.033 120.330 120.400 -0.062 0.000 2.228 7802 K HA -0.013 4.308 4.320 0.002 0.000 0.202 7802 K C 0.467 177.057 176.600 -0.017 0.000 1.051 7802 K CA 0.639 56.905 56.287 -0.034 0.000 0.960 7802 K CB 0.062 32.547 32.500 -0.025 0.000 0.743 7802 K HN 0.001 nan 8.250 nan 0.000 0.458 7803 N N -0.045 118.647 118.700 -0.013 0.000 2.783 7803 N HA -0.136 4.606 4.740 0.002 0.000 0.247 7803 N C -1.402 174.116 175.510 0.014 0.000 1.089 7803 N CA 0.776 53.827 53.050 0.002 0.000 0.690 7803 N CB -1.355 37.132 38.487 -0.001 0.000 0.991 7803 N HN 0.089 nan 8.380 nan 0.000 0.552 7804 V N -2.866 117.063 119.914 0.025 0.000 2.823 7804 V HA 0.871 4.992 4.120 0.002 0.000 0.312 7804 V C 0.589 176.717 176.094 0.056 0.000 1.072 7804 V CA -1.030 61.291 62.300 0.035 0.000 0.937 7804 V CB 2.249 34.091 31.823 0.032 0.000 1.013 7804 V HN -0.037 nan 8.190 nan 0.000 0.430 7805 V N 4.233 124.177 119.914 0.049 0.000 2.617 7805 V HA 0.633 4.755 4.120 0.002 0.000 0.298 7805 V C 0.137 176.264 176.094 0.056 0.000 1.048 7805 V CA -0.410 61.923 62.300 0.056 0.000 0.964 7805 V CB 1.528 33.372 31.823 0.035 0.000 1.004 7805 V HN 0.968 nan 8.190 nan 0.000 0.466 7806 M N 4.548 124.189 119.600 0.068 0.000 2.457 7806 M HA 0.607 5.088 4.480 0.002 0.000 0.300 7806 M C -1.458 174.870 176.300 0.047 0.000 1.141 7806 M CA -0.728 54.608 55.300 0.060 0.000 0.901 7806 M CB 2.435 35.078 32.600 0.072 0.000 1.687 7806 M HN 0.244 nan 8.290 nan 0.000 0.449 7807 I N 2.628 123.220 120.570 0.036 0.000 2.331 7807 I HA 0.442 4.613 4.170 0.002 0.000 0.292 7807 I C 0.415 176.567 176.117 0.059 0.000 0.998 7807 I CA -0.056 61.257 61.300 0.022 0.000 1.267 7807 I CB 0.887 38.895 38.000 0.015 0.000 1.386 7807 I HN 0.813 nan 8.210 nan 0.000 0.476 7808 T N 2.312 116.909 114.554 0.072 0.000 2.916 7808 T HA 0.831 5.182 4.350 0.002 0.000 0.292 7808 T C -0.364 174.405 174.700 0.115 0.000 1.064 7808 T CA -0.924 61.245 62.100 0.116 0.000 1.011 7808 T CB 2.188 71.161 68.868 0.176 0.000 1.152 7808 T HN 0.642 nan 8.240 nan 0.000 0.510 7809 A N 2.140 125.040 122.820 0.133 0.000 2.320 7809 A HA 0.648 4.969 4.320 0.002 0.000 0.287 7809 A C -0.087 177.567 177.584 0.118 0.000 1.181 7809 A CA -0.618 51.497 52.037 0.131 0.000 0.831 7809 A CB 0.283 19.365 19.000 0.136 0.000 1.102 7809 A HN 0.714 nan 8.150 nan 0.000 0.513 7810 Q N 1.503 121.369 119.800 0.109 0.000 2.347 7810 Q HA 0.408 4.749 4.340 0.002 0.000 0.271 7810 Q C -1.459 174.601 176.000 0.100 0.000 1.064 7810 Q CA -0.636 55.221 55.803 0.091 0.000 0.800 7810 Q CB 2.336 31.076 28.738 0.003 0.000 1.304 7810 Q HN 0.750 nan 8.270 nan 0.000 0.438 7811 N N 1.950 120.710 118.700 0.100 0.000 2.732 7811 N HA 0.192 4.933 4.740 0.002 0.000 0.247 7811 N C -2.109 173.426 175.510 0.041 0.000 1.305 7811 N CA -0.269 52.817 53.050 0.060 0.000 0.762 7811 N CB 0.398 38.878 38.487 -0.010 0.000 1.361 7811 N HN 0.759 nan 8.380 nan 0.000 0.545 7812 H N -1.224 117.738 119.070 -0.180 0.000 3.140 7812 H HA 0.508 5.065 4.556 0.002 0.000 0.336 7812 H C 0.007 175.217 175.328 -0.196 0.000 1.142 7812 H CA -1.019 54.952 56.048 -0.130 0.000 1.308 7812 H CB 0.926 30.602 29.762 -0.144 0.000 1.970 7812 H HN 0.165 nan 8.280 nan 0.000 0.521 7813 G N 1.394 110.163 108.800 -0.052 0.000 3.192 7813 G HA2 0.243 4.204 3.960 0.002 0.000 0.239 7813 G HA3 0.243 4.204 3.960 0.002 0.000 0.239 7813 G C -0.757 173.883 174.900 -0.432 0.000 1.084 7813 G CA -0.024 44.929 45.100 -0.245 0.000 0.784 7813 G HN 0.329 nan 8.290 nan 0.000 0.540 7814 F N 0.426 120.367 119.950 -0.016 0.000 2.546 7814 F HA 0.775 5.303 4.527 0.002 0.000 0.320 7814 F C 0.280 176.078 175.800 -0.002 0.000 1.076 7814 F CA -1.146 56.836 58.000 -0.030 0.000 0.928 7814 F CB 2.415 41.388 39.000 -0.045 0.000 1.189 7814 F HN 0.063 nan 8.300 nan 0.000 0.465 7815 A N 1.225 124.118 122.820 0.122 0.000 2.469 7815 A HA 0.817 5.139 4.320 0.002 0.000 0.299 7815 A C -1.581 176.018 177.584 0.026 0.000 1.098 7815 A CA -0.796 51.261 52.037 0.034 0.000 0.737 7815 A CB 1.444 20.423 19.000 -0.035 0.000 1.312 7815 A HN 0.490 nan 8.150 nan 0.000 0.414 7816 V N 2.131 122.050 119.914 0.008 0.000 2.432 7816 V HA 0.179 4.301 4.120 0.002 0.000 0.275 7816 V C -0.053 176.027 176.094 -0.023 0.000 1.043 7816 V CA -0.393 61.886 62.300 -0.036 0.000 0.925 7816 V CB 1.331 33.094 31.823 -0.100 0.000 0.985 7816 V HN 0.891 nan 8.190 nan 0.000 0.466 7817 D N 3.676 124.058 120.400 -0.030 0.000 2.371 7817 D HA 0.002 4.643 4.640 0.002 0.000 0.256 7817 D C 1.109 177.398 176.300 -0.019 0.000 1.193 7817 D CA 0.300 54.288 54.000 -0.021 0.000 0.881 7817 D CB 1.180 41.967 40.800 -0.023 0.000 1.143 7817 D HN 0.752 nan 8.370 nan 0.000 0.473 7818 E N 2.904 123.101 120.200 -0.006 0.000 2.153 7818 E HA -0.206 4.145 4.350 0.002 0.000 0.194 7818 E C 1.456 178.053 176.600 -0.005 0.000 0.988 7818 E CA 0.911 57.312 56.400 0.000 0.000 0.811 7818 E CB 0.130 29.837 29.700 0.012 0.000 0.746 7818 E HN 0.566 nan 8.360 nan 0.000 0.466 7819 A N 0.341 123.156 122.820 -0.008 0.000 2.168 7819 A HA -0.071 4.250 4.320 0.002 0.000 0.215 7819 A C 1.877 179.452 177.584 -0.015 0.000 1.152 7819 A CA 1.443 53.475 52.037 -0.009 0.000 0.716 7819 A CB -0.285 18.710 19.000 -0.008 0.000 0.794 7819 A HN 0.333 nan 8.150 nan 0.000 0.465 7820 T N -2.974 111.567 114.554 -0.022 0.000 3.293 7820 T HA 0.500 4.851 4.350 0.002 0.000 0.276 7820 T C -0.194 174.485 174.700 -0.035 0.000 1.003 7820 T CA -0.446 61.636 62.100 -0.029 0.000 0.916 7820 T CB -0.475 68.371 68.868 -0.037 0.000 1.134 7820 T HN -0.039 nan 8.240 nan 0.000 0.530 7821 L N 4.088 125.295 121.223 -0.026 0.000 2.313 7821 L HA 0.453 4.794 4.340 0.002 0.000 0.282 7821 L C -1.909 174.947 176.870 -0.022 0.000 1.092 7821 L CA -1.847 52.977 54.840 -0.026 0.000 0.831 7821 L CB 0.522 42.573 42.059 -0.014 0.000 1.159 7821 L HN 0.161 nan 8.230 nan 0.000 0.442 7822 P HA 0.072 nan 4.420 nan 0.000 0.271 7822 P C -0.186 177.108 177.300 -0.010 0.000 1.244 7822 P CA -0.278 62.809 63.100 -0.021 0.000 0.793 7822 P CB 0.644 32.329 31.700 -0.026 0.000 0.984 7823 A N 0.953 123.770 122.820 -0.006 0.000 2.218 7823 A HA -0.048 4.273 4.320 0.002 0.000 0.209 7823 A C 1.353 178.941 177.584 0.007 0.000 1.168 7823 A CA 0.531 52.568 52.037 -0.000 0.000 0.804 7823 A CB -1.335 17.664 19.000 -0.002 0.000 0.834 7823 A HN 0.776 nan 8.150 nan 0.000 0.482 7824 N N -0.554 118.152 118.700 0.009 0.000 2.421 7824 N HA 0.181 4.922 4.740 0.002 0.000 0.201 7824 N C -0.302 175.231 175.510 0.037 0.000 1.198 7824 N CA -0.033 53.029 53.050 0.021 0.000 0.838 7824 N CB 0.115 38.612 38.487 0.017 0.000 1.011 7824 N HN 0.297 nan 8.380 nan 0.000 0.463 7825 L N 2.308 123.550 121.223 0.031 0.000 2.427 7825 L HA 0.354 4.695 4.340 0.002 0.000 0.264 7825 L C -0.302 176.598 176.870 0.049 0.000 0.989 7825 L CA -0.896 53.971 54.840 0.045 0.000 0.865 7825 L CB 1.296 43.363 42.059 0.013 0.000 1.209 7825 L HN 0.324 nan 8.230 nan 0.000 0.430 7826 R N 2.504 123.050 120.500 0.076 0.000 2.500 7826 R HA 0.570 4.911 4.340 0.002 0.000 0.275 7826 R C -0.890 175.460 176.300 0.082 0.000 1.051 7826 R CA -0.716 55.421 56.100 0.061 0.000 1.088 7826 R CB 1.401 31.723 30.300 0.037 0.000 1.063 7826 R HN 0.194 nan 8.270 nan 0.000 0.511 7827 V N 2.563 122.509 119.914 0.053 0.000 2.455 7827 V HA 0.067 4.189 4.120 0.002 0.000 0.273 7827 V C 1.010 177.127 176.094 0.037 0.000 1.045 7827 V CA 0.252 62.587 62.300 0.058 0.000 0.976 7827 V CB 1.149 32.995 31.823 0.037 0.000 0.993 7827 V HN 1.118 nan 8.190 nan 0.000 0.475 7828 T N 1.139 115.728 114.554 0.059 0.000 2.999 7828 T HA 0.263 4.614 4.350 0.002 0.000 0.247 7828 T C 0.352 174.832 174.700 -0.367 0.000 1.012 7828 T CA 0.159 62.198 62.100 -0.102 0.000 1.048 7828 T CB 0.189 69.051 68.868 -0.010 0.000 1.020 7828 T HN 0.652 nan 8.240 nan 0.000 0.478 7829 H N 0.166 119.305 119.070 0.115 0.000 2.974 7829 H HA 0.714 5.271 4.556 0.002 0.000 0.366 7829 H C -1.264 174.094 175.328 0.049 0.000 1.155 7829 H CA -0.921 55.191 56.048 0.107 0.000 1.186 7829 H CB 1.850 31.726 29.762 0.191 0.000 1.799 7829 H HN 0.073 nan 8.280 nan 0.000 0.541 7830 K N 0.768 121.272 120.400 0.172 0.000 2.464 7830 K HA 0.411 4.733 4.320 0.002 0.000 0.253 7830 K C -0.707 175.961 176.600 0.113 0.000 0.933 7830 K CA -1.017 55.334 56.287 0.107 0.000 0.801 7830 K CB 2.740 35.291 32.500 0.085 0.000 1.271 7830 K HN 0.513 nan 8.250 nan 0.000 0.430 7831 S N 2.303 118.077 115.700 0.123 0.000 2.498 7831 S HA 0.033 4.504 4.470 0.002 0.000 0.281 7831 S C 0.814 175.515 174.600 0.169 0.000 1.265 7831 S CA -0.503 57.815 58.200 0.196 0.000 1.071 7831 S CB 0.166 63.595 63.200 0.380 0.000 0.894 7831 S HN 0.516 nan 8.310 nan 0.000 0.491 7832 L N 5.493 126.770 121.223 0.091 0.000 2.610 7832 L HA 0.247 4.588 4.340 0.002 0.000 0.232 7832 L C 1.193 178.162 176.870 0.165 0.000 1.149 7832 L CA 0.902 55.791 54.840 0.083 0.000 0.872 7832 L CB -1.116 40.962 42.059 0.033 0.000 0.992 7832 L HN 0.714 nan 8.230 nan 0.000 0.447 7833 F N -0.012 119.905 119.950 -0.055 0.000 2.374 7833 F HA 0.041 4.569 4.527 0.002 0.000 0.291 7833 F C 1.627 177.428 175.800 0.003 0.000 1.084 7833 F CA 0.757 58.677 58.000 -0.133 0.000 1.413 7833 F CB -0.034 38.693 39.000 -0.455 0.000 1.099 7833 F HN 0.339 nan 8.300 nan 0.000 0.534 7834 D N -2.980 117.596 120.400 0.294 0.000 2.530 7834 D HA 0.208 4.849 4.640 0.002 0.000 0.253 7834 D C 1.510 177.902 176.300 0.153 0.000 1.338 7834 D CA 0.727 54.847 54.000 0.200 0.000 0.806 7834 D CB -0.127 40.802 40.800 0.214 0.000 1.160 7834 D HN 0.250 nan 8.370 nan 0.000 0.514 7835 G N 0.841 109.735 108.800 0.157 0.000 2.184 7835 G HA2 -0.313 3.648 3.960 0.002 0.000 0.264 7835 G HA3 -0.313 3.648 3.960 0.002 0.000 0.264 7835 G C 0.623 175.585 174.900 0.103 0.000 0.975 7835 G CA 0.795 45.961 45.100 0.110 0.000 0.642 7835 G HN 0.899 nan 8.290 nan 0.000 0.536 7836 T N -0.915 113.722 114.554 0.138 0.000 2.855 7836 T HA 0.502 4.854 4.350 0.002 0.000 0.314 7836 T C 0.663 175.405 174.700 0.070 0.000 1.077 7836 T CA -0.195 61.962 62.100 0.095 0.000 1.095 7836 T CB 1.807 70.729 68.868 0.091 0.000 0.987 7836 T HN 0.956 nan 8.240 nan 0.000 0.546 7837 L N 2.237 123.480 121.223 0.033 0.000 2.499 7837 L HA 0.186 4.527 4.340 0.002 0.000 0.273 7837 L C 1.098 177.936 176.870 -0.052 0.000 1.195 7837 L CA 0.678 55.535 54.840 0.028 0.000 0.882 7837 L CB 0.251 42.340 42.059 0.050 0.000 1.133 7837 L HN 0.750 nan 8.230 nan 0.000 0.483 7838 Q N 3.286 123.041 119.800 -0.075 0.000 2.254 7838 Q HA 0.390 4.731 4.340 0.002 0.000 0.259 7838 Q C 0.176 175.933 176.000 -0.405 0.000 0.815 7838 Q CA 0.576 56.166 55.803 -0.355 0.000 0.961 7838 Q CB 1.506 30.054 28.738 -0.316 0.000 1.140 7838 Q HN 0.819 nan 8.270 nan 0.000 0.502 7839 G N 1.229 110.075 108.800 0.077 0.000 2.720 7839 G HA2 0.636 4.597 3.960 0.002 0.000 0.295 7839 G HA3 0.636 4.597 3.960 0.002 0.000 0.295 7839 G C -1.195 173.928 174.900 0.371 0.000 1.437 7839 G CA -0.557 44.738 45.100 0.325 0.000 0.886 7839 G HN 0.077 nan 8.290 nan 0.000 0.509 7840 I N -1.512 119.290 120.570 0.386 0.000 2.913 7840 I HA 0.691 4.863 4.170 0.002 0.000 0.302 7840 I C -1.832 174.470 176.117 0.308 0.000 1.246 7840 I CA -1.145 60.318 61.300 0.272 0.000 1.010 7840 I CB 2.949 41.034 38.000 0.143 0.000 1.259 7840 I HN 0.544 nan 8.210 nan 0.000 0.434 7841 H N 3.715 122.896 119.070 0.186 0.000 2.782 7841 H HA 0.472 5.029 4.556 0.002 0.000 0.347 7841 H C -1.009 174.389 175.328 0.118 0.000 1.038 7841 H CA -0.635 55.533 56.048 0.199 0.000 1.255 7841 H CB 2.375 32.231 29.762 0.157 0.000 1.623 7841 H HN 0.588 nan 8.280 nan 0.000 0.525 7842 R N 1.655 122.404 120.500 0.415 0.000 2.590 7842 R HA 0.016 4.358 4.340 0.002 0.000 0.274 7842 R C 1.079 177.525 176.300 0.244 0.000 1.061 7842 R CA 0.603 56.855 56.100 0.252 0.000 1.081 7842 R CB 0.643 31.041 30.300 0.164 0.000 0.984 7842 R HN 0.774 nan 8.270 nan 0.000 0.448 7843 T N -2.233 112.388 114.554 0.111 0.000 3.043 7843 T HA -0.076 4.275 4.350 0.002 0.000 0.263 7843 T C 0.826 175.551 174.700 0.040 0.000 1.094 7843 T CA 0.946 63.072 62.100 0.043 0.000 1.127 7843 T CB 0.078 68.960 68.868 0.022 0.000 0.905 7843 T HN 0.583 nan 8.240 nan 0.000 0.490 7844 D N 0.288 120.726 120.400 0.064 0.000 2.380 7844 D HA 0.167 4.808 4.640 0.002 0.000 0.212 7844 D C 0.794 177.137 176.300 0.072 0.000 1.021 7844 D CA 0.267 54.300 54.000 0.054 0.000 0.884 7844 D CB 0.228 41.053 40.800 0.041 0.000 1.001 7844 D HN 0.291 nan 8.370 nan 0.000 0.506 7845 K N 0.108 120.572 120.400 0.106 0.000 2.395 7845 K HA 0.385 4.706 4.320 0.002 0.000 0.245 7845 K C -2.658 174.055 176.600 0.188 0.000 1.017 7845 K CA -1.933 54.423 56.287 0.116 0.000 0.852 7845 K CB 2.170 34.723 32.500 0.088 0.000 1.311 7845 K HN -0.266 nan 8.250 nan 0.000 0.452 7846 P HA 0.110 nan 4.420 nan 0.000 0.238 7846 P C -1.220 176.183 177.300 0.171 0.000 1.714 7846 P CA 0.120 63.330 63.100 0.185 0.000 0.908 7846 P CB -0.270 31.482 31.700 0.086 0.000 1.893 7847 A N 1.849 124.762 122.820 0.156 0.000 2.335 7847 A HA 0.728 5.050 4.320 0.002 0.000 0.304 7847 A C -0.821 176.745 177.584 -0.029 0.000 1.118 7847 A CA -0.555 51.529 52.037 0.077 0.000 0.757 7847 A CB 0.903 19.937 19.000 0.056 0.000 1.188 7847 A HN 0.220 nan 8.150 nan 0.000 0.460 7848 F N 0.833 120.627 119.950 -0.259 0.000 2.613 7848 F HA 0.887 5.415 4.527 0.002 0.000 0.310 7848 F C -0.357 175.508 175.800 0.108 0.000 1.085 7848 F CA -0.724 57.155 58.000 -0.202 0.000 0.945 7848 F CB 1.561 40.310 39.000 -0.418 0.000 1.298 7848 F HN 0.760 nan 8.300 nan 0.000 0.455 7849 S N 1.703 117.486 115.700 0.138 0.000 2.570 7849 S HA 0.783 5.254 4.470 0.002 0.000 0.270 7849 S C -2.054 172.761 174.600 0.358 0.000 1.149 7849 S CA -0.669 57.600 58.200 0.115 0.000 0.837 7849 S CB 1.972 65.198 63.200 0.043 0.000 1.124 7849 S HN 1.005 nan 8.310 nan 0.000 0.465 7850 F N 1.586 121.508 119.950 -0.047 0.000 2.529 7850 F HA 0.578 5.106 4.527 0.002 0.000 0.320 7850 F C 1.070 176.513 175.800 -0.595 0.000 1.118 7850 F CA -0.780 57.057 58.000 -0.272 0.000 0.915 7850 F CB 2.478 41.380 39.000 -0.165 0.000 1.161 7850 F HN 0.772 nan 8.300 nan 0.000 0.445 7851 Q N 3.396 122.332 119.800 -1.439 0.000 2.224 7851 Q HA 0.182 4.523 4.340 0.002 0.000 0.203 7851 Q C 0.890 176.360 176.000 -0.882 0.000 0.970 7851 Q CA 1.296 56.339 55.803 -1.267 0.000 0.865 7851 Q CB -0.321 27.650 28.738 -1.279 0.000 0.922 7851 Q HN 0.836 nan 8.270 nan 0.000 0.445 7852 G N -0.306 107.909 108.800 -0.975 0.000 2.543 7852 G HA2 0.273 4.234 3.960 0.002 0.000 0.290 7852 G HA3 0.273 4.234 3.960 0.002 0.000 0.290 7852 G C -0.812 174.171 174.900 0.138 0.000 1.310 7852 G CA -0.702 44.236 45.100 -0.269 0.000 1.025 7852 G HN 0.253 nan 8.290 nan 0.000 0.502 7853 N N 0.962 119.777 118.700 0.193 0.000 2.699 7853 N HA 0.325 5.066 4.740 0.002 0.000 0.232 7853 N C -1.851 173.759 175.510 0.167 0.000 1.027 7853 N CA -1.515 51.628 53.050 0.154 0.000 0.920 7853 N CB 2.125 40.677 38.487 0.108 0.000 1.148 7853 N HN 0.100 nan 8.380 nan 0.000 0.509 7854 P HA -0.186 nan 4.420 nan 0.000 0.219 7854 P C 1.030 178.475 177.300 0.242 0.000 1.146 7854 P CA 1.149 64.266 63.100 0.027 0.000 0.808 7854 P CB 0.391 31.944 31.700 -0.245 0.000 0.779 7855 E N 0.029 120.412 120.200 0.304 0.000 2.435 7855 E HA 0.010 4.361 4.350 0.002 0.000 0.195 7855 E C 1.078 177.752 176.600 0.123 0.000 1.029 7855 E CA 0.852 57.416 56.400 0.273 0.000 0.865 7855 E CB -0.826 29.023 29.700 0.249 0.000 0.833 7855 E HN 0.087 nan 8.360 nan 0.000 0.510 7856 A N 1.164 124.065 122.820 0.135 0.000 5.481 7856 A HA -0.341 3.981 4.320 0.002 0.000 0.318 7856 A C 0.817 178.456 177.584 0.092 0.000 1.837 7856 A CA 2.644 54.756 52.037 0.125 0.000 0.717 7856 A CB -1.937 17.163 19.000 0.165 0.000 1.349 7856 A HN 1.217 nan 8.150 nan 0.000 0.388 7857 S N -0.915 114.836 115.700 0.085 0.000 3.634 7857 S HA -0.014 4.457 4.470 0.002 0.000 0.501 7857 S C -1.729 172.899 174.600 0.047 0.000 0.789 7857 S CA 1.019 59.244 58.200 0.042 0.000 1.378 7857 S CB -0.953 62.258 63.200 0.018 0.000 0.896 7857 S HN 1.320 nan 8.310 nan 0.000 0.703 7858 P HA 0.834 nan 4.420 nan 0.000 0.285 7858 P C 0.571 177.925 177.300 0.090 0.000 1.285 7858 P CA 0.671 63.799 63.100 0.047 0.000 0.854 7858 P CB 1.350 33.063 31.700 0.021 0.000 1.180 7859 G N -0.362 108.494 108.800 0.093 0.000 2.355 7859 G HA2 0.101 4.062 3.960 0.002 0.000 0.619 7859 G HA3 0.101 4.062 3.960 0.002 0.000 0.619 7859 G C -3.231 171.755 174.900 0.144 0.000 1.337 7859 G CA -0.909 44.255 45.100 0.107 0.000 0.993 7859 G HN 0.526 nan 8.290 nan 0.000 0.599 7860 P HA 0.220 nan 4.420 nan 0.000 0.267 7860 P C 0.203 177.647 177.300 0.240 0.000 1.200 7860 P CA 0.129 63.285 63.100 0.093 0.000 0.772 7860 P CB 0.114 31.851 31.700 0.061 0.000 0.855 7861 H N -0.259 118.843 119.070 0.054 0.000 2.526 7861 H HA 0.005 4.562 4.556 0.002 0.000 0.274 7861 H C 0.634 175.993 175.328 0.051 0.000 0.999 7861 H CA -0.237 55.847 56.048 0.061 0.000 1.157 7861 H CB 0.102 29.901 29.762 0.062 0.000 1.407 7861 H HN 0.412 nan 8.280 nan 0.000 0.568 7862 D N 1.618 122.109 120.400 0.152 0.000 2.172 7862 D HA -0.161 4.481 4.640 0.002 0.000 0.196 7862 D C 1.943 178.265 176.300 0.037 0.000 0.999 7862 D CA 1.238 55.288 54.000 0.084 0.000 0.856 7862 D CB -0.032 40.804 40.800 0.061 0.000 0.934 7862 D HN 0.445 nan 8.370 nan 0.000 0.453 7863 A N -0.097 122.723 122.820 -0.001 0.000 2.307 7863 A HA 0.472 4.793 4.320 0.002 0.000 0.218 7863 A C 2.020 179.548 177.584 -0.095 0.000 1.228 7863 A CA 0.722 52.663 52.037 -0.160 0.000 0.857 7863 A CB -0.121 18.650 19.000 -0.383 0.000 0.897 7863 A HN 0.145 nan 8.150 nan 0.000 0.495 7864 A N 1.498 124.358 122.820 0.067 0.000 2.024 7864 A HA -0.037 4.284 4.320 0.002 0.000 0.220 7864 A C -0.078 177.640 177.584 0.223 0.000 1.164 7864 A CA 1.731 53.894 52.037 0.210 0.000 0.643 7864 A CB -1.205 17.885 19.000 0.149 0.000 0.806 7864 A HN 0.456 nan 8.150 nan 0.000 0.451 7865 P HA -0.046 nan 4.420 nan 0.000 0.230 7865 P C 1.185 178.523 177.300 0.064 0.000 1.158 7865 P CA 0.325 63.476 63.100 0.086 0.000 0.769 7865 P CB -0.076 31.651 31.700 0.046 0.000 0.807 7866 L N -1.716 119.495 121.223 -0.020 0.000 2.081 7866 L HA -0.154 4.187 4.340 0.002 0.000 0.212 7866 L C 2.164 178.986 176.870 -0.080 0.000 1.080 7866 L CA 1.861 56.654 54.840 -0.078 0.000 0.754 7866 L CB -1.351 40.543 42.059 -0.276 0.000 0.893 7866 L HN -0.097 nan 8.230 nan 0.000 0.433 7867 F N -0.258 119.720 119.950 0.047 0.000 2.234 7867 F HA -0.200 4.328 4.527 0.002 0.000 0.299 7867 F C 2.279 178.140 175.800 0.103 0.000 1.087 7867 F CA 1.164 59.236 58.000 0.119 0.000 1.340 7867 F CB -0.573 38.520 39.000 0.155 0.000 1.031 7867 F HN 0.182 nan 8.300 nan 0.000 0.500 7868 D N -1.105 119.446 120.400 0.253 0.000 2.149 7868 D HA -0.238 4.403 4.640 0.002 0.000 0.198 7868 D C 2.013 178.372 176.300 0.098 0.000 0.990 7868 D CA 1.620 55.708 54.000 0.147 0.000 0.839 7868 D CB -0.637 40.226 40.800 0.105 0.000 0.948 7868 D HN 0.323 nan 8.370 nan 0.000 0.460 7869 H N 0.158 119.187 119.070 -0.068 0.000 2.353 7869 H HA -0.134 4.423 4.556 0.002 0.000 0.300 7869 H C 1.797 177.036 175.328 -0.148 0.000 1.090 7869 H CA 1.075 56.978 56.048 -0.241 0.000 1.327 7869 H CB -0.612 28.785 29.762 -0.608 0.000 1.383 7869 H HN 0.029 nan 8.280 nan 0.000 0.508 7870 F N 0.888 120.709 119.950 -0.214 0.000 2.161 7870 F HA -0.153 4.375 4.527 0.002 0.000 0.300 7870 F C 2.039 177.760 175.800 -0.132 0.000 1.089 7870 F CA 1.037 59.005 58.000 -0.054 0.000 1.282 7870 F CB -0.499 38.488 39.000 -0.021 0.000 1.010 7870 F HN 0.193 nan 8.300 nan 0.000 0.485 7871 I N 0.060 120.530 120.570 -0.166 0.000 2.439 7871 I HA -0.195 3.976 4.170 0.002 0.000 0.251 7871 I C 2.140 178.077 176.117 -0.301 0.000 1.139 7871 I CA 1.064 62.153 61.300 -0.352 0.000 1.438 7871 I CB -1.277 36.625 38.000 -0.164 0.000 1.085 7871 I HN 0.206 nan 8.210 nan 0.000 0.427 7872 E N 0.974 121.071 120.200 -0.171 0.000 2.110 7872 E HA -0.160 4.191 4.350 0.002 0.000 0.193 7872 E C 2.402 178.913 176.600 -0.148 0.000 0.988 7872 E CA 0.967 57.296 56.400 -0.119 0.000 0.804 7872 E CB -0.032 29.654 29.700 -0.022 0.000 0.745 7872 E HN 0.425 nan 8.360 nan 0.000 0.458 7873 L N 0.455 121.550 121.223 -0.213 0.000 2.027 7873 L HA -0.154 4.187 4.340 0.002 0.000 0.206 7873 L C 2.429 179.228 176.870 -0.118 0.000 1.074 7873 L CA 0.933 55.688 54.840 -0.142 0.000 0.745 7873 L CB -0.398 41.581 42.059 -0.134 0.000 0.898 7873 L HN 0.162 nan 8.230 nan 0.000 0.433 7874 I N -0.102 120.310 120.570 -0.263 0.000 2.264 7874 I HA -0.282 3.890 4.170 0.002 0.000 0.248 7874 I C 2.354 178.325 176.117 -0.244 0.000 1.111 7874 I CA 1.387 62.505 61.300 -0.304 0.000 1.382 7874 I CB -0.252 37.353 38.000 -0.658 0.000 1.060 7874 I HN 0.314 nan 8.210 nan 0.000 0.418 7875 E N 0.208 120.232 120.200 -0.293 0.000 2.208 7875 E HA -0.268 4.083 4.350 0.002 0.000 0.193 7875 E C 2.104 178.679 176.600 -0.042 0.000 0.988 7875 E CA 0.869 57.175 56.400 -0.156 0.000 0.828 7875 E CB 0.035 29.672 29.700 -0.104 0.000 0.763 7875 E HN 0.536 nan 8.360 nan 0.000 0.478 7876 Q N -0.189 119.593 119.800 -0.030 0.000 2.137 7876 Q HA -0.196 4.145 4.340 0.002 0.000 0.198 7876 Q C 1.937 177.977 176.000 0.067 0.000 0.960 7876 Q CA 1.005 56.818 55.803 0.017 0.000 0.847 7876 Q CB -0.271 28.476 28.738 0.015 0.000 0.915 7876 Q HN 0.346 nan 8.270 nan 0.000 0.448 7877 Y N 0.884 121.155 120.300 -0.047 0.000 2.314 7877 Y HA 0.031 4.582 4.550 0.002 0.000 0.293 7877 Y C 1.923 177.817 175.900 -0.010 0.000 1.129 7877 Y CA 1.339 59.426 58.100 -0.022 0.000 1.201 7877 Y CB 0.068 38.513 38.460 -0.026 0.000 0.999 7877 Y HN 0.015 nan 8.280 nan 0.000 0.541 7878 R N 0.262 120.725 120.500 -0.062 0.000 2.115 7878 R HA -0.137 4.204 4.340 0.002 0.000 0.230 7878 R C 2.275 178.523 176.300 -0.086 0.000 1.111 7878 R CA 1.302 57.339 56.100 -0.105 0.000 0.976 7878 R CB -0.182 30.132 30.300 0.022 0.000 0.870 7878 R HN 0.263 nan 8.270 nan 0.000 0.445 7879 K N -0.143 120.231 120.400 -0.043 0.000 2.160 7879 K HA -0.096 4.225 4.320 0.002 0.000 0.206 7879 K C 0.258 176.832 176.600 -0.043 0.000 1.047 7879 K CA 1.381 57.653 56.287 -0.024 0.000 0.930 7879 K CB 0.165 32.663 32.500 -0.004 0.000 0.720 7879 K HN 0.145 nan 8.250 nan 0.000 0.450 7880 T N 0.000 114.506 114.554 -0.080 0.000 3.816 7880 T HA 0.000 4.351 4.350 0.002 0.000 0.228 7880 T CA 0.000 62.043 62.100 -0.095 0.000 1.349 7880 T CB 0.000 68.838 68.868 -0.050 0.000 0.612 7880 T HN 0.000 nan 8.240 nan 0.000 0.658