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 2wyr_1_H DATA FIRST_RESID 2318 DATA SEQUENCE MSMIEKLKKF TQIPGISGYE ERIREEIIRE IKDFADYKVD AIGNLIVELG DATA SEQUENCE EGEERILFMA HMDEIGLLIT GITDEGKLRF RKVGGIDDRL LYGRHVNVVT DATA SEQUENCE EKGILDGVIG ATPPHLXXXX XKSVIPWYDL VIDIGAESKE EALELVKPLD DATA SEQUENCE FAVFKKHFSV LNGKYVSTRG LDDRFGVVAL IEAIKDLVDH ELEGKVIFAF DATA SEQUENCE TVQEEVGLKG AKFLANHYYP QYAFAIDSFA CCSPLTGDVK LGKGPVIRAV DATA SEQUENCE DNSAIYSRDL ARKVWSIAEK NGIEIQIGVT GGGTDASAFQ DRSKTLALSV DATA SEQUENCE PIKYLHSEVE TLHLNDLEKL VKLIEALAFE L 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 2318 M HA 0.000 nan 4.480 nan 0.000 0.227 2318 M C 0.000 176.306 176.300 0.010 0.000 1.140 2318 M CA 0.000 55.306 55.300 0.011 0.000 0.988 2318 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2319 S N 2.360 118.064 115.700 0.008 0.000 2.596 2319 S HA 0.237 4.806 4.470 0.165 0.000 0.260 2319 S C 0.821 175.433 174.600 0.020 0.000 1.336 2319 S CA -0.406 57.800 58.200 0.010 0.000 0.993 2319 S CB 0.907 64.113 63.200 0.009 0.000 0.923 2319 S HN 0.821 nan 8.310 nan 0.000 0.567 2320 M N 1.062 120.675 119.600 0.022 0.000 2.086 2320 M HA 0.040 4.619 4.480 0.165 0.000 0.261 2320 M C 1.727 178.072 176.300 0.075 0.000 1.067 2320 M CA 1.279 56.601 55.300 0.037 0.000 1.116 2320 M CB -1.372 31.243 32.600 0.024 0.000 1.348 2320 M HN 0.827 nan 8.290 nan 0.000 0.407 2321 I N -0.081 120.540 120.570 0.084 0.000 2.118 2321 I HA -0.345 3.924 4.170 0.165 0.000 0.241 2321 I C 2.280 178.436 176.117 0.065 0.000 1.070 2321 I CA 1.409 62.800 61.300 0.152 0.000 1.327 2321 I CB -0.632 37.459 38.000 0.152 0.000 1.034 2321 I HN 0.287 nan 8.210 nan 0.000 0.405 2322 E N 1.050 121.251 120.200 0.001 0.000 2.077 2322 E HA -0.205 4.244 4.350 0.165 0.000 0.193 2322 E C 2.138 178.727 176.600 -0.018 0.000 0.989 2322 E CA 1.248 57.610 56.400 -0.062 0.000 0.800 2322 E CB -0.253 29.422 29.700 -0.042 0.000 0.746 2322 E HN 0.519 nan 8.360 nan 0.000 0.452 2323 K N 0.250 120.684 120.400 0.057 0.000 2.097 2323 K HA -0.123 4.296 4.320 0.165 0.000 0.206 2323 K C 2.143 178.875 176.600 0.221 0.000 1.049 2323 K CA 0.650 57.029 56.287 0.153 0.000 0.933 2323 K CB -0.132 32.439 32.500 0.119 0.000 0.717 2323 K HN 0.011 nan 8.250 nan 0.000 0.442 2324 L N 2.009 123.336 121.223 0.174 0.000 2.017 2324 L HA -0.157 4.282 4.340 0.165 0.000 0.208 2324 L C 2.384 179.399 176.870 0.241 0.000 1.073 2324 L CA 1.714 56.708 54.840 0.256 0.000 0.745 2324 L CB -0.735 41.528 42.059 0.340 0.000 0.894 2324 L HN 0.137 nan 8.230 nan 0.000 0.432 2325 K N -0.096 120.280 120.400 -0.040 0.000 2.002 2325 K HA -0.254 4.165 4.320 0.165 0.000 0.209 2325 K C 2.257 178.794 176.600 -0.106 0.000 1.048 2325 K CA 1.733 57.807 56.287 -0.355 0.000 0.930 2325 K CB -0.101 31.829 32.500 -0.951 0.000 0.714 2325 K HN 0.175 nan 8.250 nan 0.000 0.438 2326 K N -0.225 120.123 120.400 -0.088 0.000 2.034 2326 K HA -0.197 4.222 4.320 0.165 0.000 0.214 2326 K C 1.988 178.514 176.600 -0.123 0.000 1.051 2326 K CA 2.047 58.262 56.287 -0.120 0.000 0.931 2326 K CB -0.271 32.142 32.500 -0.145 0.000 0.715 2326 K HN 0.115 nan 8.250 nan 0.000 0.446 2327 F N 0.857 120.800 119.950 -0.011 0.000 2.293 2327 F HA -0.105 4.534 4.527 0.186 0.000 0.297 2327 F C 2.631 178.454 175.800 0.039 0.000 1.089 2327 F CA 1.601 59.605 58.000 0.006 0.000 1.377 2327 F CB -0.334 38.668 39.000 0.003 0.000 1.051 2327 F HN 0.266 nan 8.300 nan 0.000 0.511 2328 T N -2.935 111.761 114.554 0.238 0.000 2.951 2328 T HA -0.141 4.308 4.350 0.165 0.000 0.268 2328 T C 1.736 176.520 174.700 0.140 0.000 1.073 2328 T CA 0.783 63.007 62.100 0.206 0.000 1.134 2328 T CB -0.202 68.829 68.868 0.272 0.000 0.884 2328 T HN 0.153 nan 8.240 nan 0.000 0.479 2329 Q N 0.582 120.430 119.800 0.082 0.000 2.378 2329 Q HA 0.263 4.702 4.340 0.165 0.000 0.205 2329 Q C 0.784 176.794 176.000 0.016 0.000 0.954 2329 Q CA 0.257 56.083 55.803 0.038 0.000 0.901 2329 Q CB -0.194 28.536 28.738 -0.013 0.000 0.981 2329 Q HN 0.640 nan 8.270 nan 0.000 0.483 2330 I N 3.525 124.098 120.570 0.005 0.000 2.533 2330 I HA 0.045 4.314 4.170 0.165 0.000 0.284 2330 I C -2.107 174.046 176.117 0.061 0.000 1.109 2330 I CA -1.738 59.563 61.300 0.001 0.000 1.412 2330 I CB 0.551 38.525 38.000 -0.043 0.000 1.396 2330 I HN -0.137 nan 8.210 nan 0.000 0.543 2331 P HA 0.366 nan 4.420 nan 0.000 0.284 2331 P C -0.295 177.152 177.300 0.244 0.000 1.253 2331 P CA -0.380 62.820 63.100 0.167 0.000 0.800 2331 P CB 1.312 33.098 31.700 0.144 0.000 0.961 2332 G N 2.920 111.846 108.800 0.210 0.000 2.374 2332 G HA2 0.384 4.443 3.960 0.165 0.000 0.298 2332 G HA3 0.384 4.443 3.960 0.165 0.000 0.298 2332 G C -0.462 174.372 174.900 -0.109 0.000 2.674 2332 G CA -0.574 44.543 45.100 0.029 0.000 0.775 2332 G HN 0.577 nan 8.290 nan 0.000 0.437 2333 I N -0.595 119.740 120.570 -0.391 0.000 3.276 2333 I HA 0.684 4.953 4.170 0.165 0.000 0.306 2333 I C 0.726 176.739 176.117 -0.175 0.000 1.060 2333 I CA -0.696 60.438 61.300 -0.275 0.000 1.133 2333 I CB 0.780 38.561 38.000 -0.365 0.000 1.473 2333 I HN 0.260 nan 8.210 nan 0.000 0.649 2334 S N 1.718 117.366 115.700 -0.088 0.000 2.558 2334 S HA 0.266 4.835 4.470 0.165 0.000 0.293 2334 S C 1.120 175.736 174.600 0.026 0.000 1.292 2334 S CA 0.563 58.745 58.200 -0.029 0.000 1.063 2334 S CB 0.293 63.476 63.200 -0.028 0.000 0.831 2334 S HN 1.323 nan 8.310 nan 0.000 0.499 2335 G N 1.956 110.745 108.800 -0.019 0.000 2.212 2335 G HA2 -0.294 3.765 3.960 0.165 0.000 0.266 2335 G HA3 -0.294 3.765 3.960 0.165 0.000 0.266 2335 G C 0.010 174.736 174.900 -0.289 0.000 0.978 2335 G CA 0.323 45.360 45.100 -0.104 0.000 0.632 2335 G HN 0.736 nan 8.290 nan 0.000 0.537 2336 Y N 0.280 120.422 120.300 -0.263 0.000 2.629 2336 Y HA 0.485 5.133 4.550 0.162 0.000 0.282 2336 Y C 1.113 176.868 175.900 -0.242 0.000 0.994 2336 Y CA -0.336 57.565 58.100 -0.331 0.000 1.126 2336 Y CB 0.686 38.654 38.460 -0.820 0.000 1.187 2336 Y HN 0.236 nan 8.280 nan 0.000 0.600 2337 E N -0.429 119.744 120.200 -0.046 0.000 2.489 2337 E HA -0.032 4.418 4.350 0.165 0.000 0.193 2337 E C 1.259 177.862 176.600 0.006 0.000 1.057 2337 E CA 0.201 56.597 56.400 -0.008 0.000 0.866 2337 E CB 0.175 29.877 29.700 0.004 0.000 0.916 2337 E HN 0.430 nan 8.360 nan 0.000 0.500 2338 E N 1.068 121.270 120.200 0.003 0.000 2.110 2338 E HA -0.299 4.150 4.350 0.165 0.000 0.225 2338 E C 1.706 178.311 176.600 0.008 0.000 1.063 2338 E CA 1.870 58.274 56.400 0.005 0.000 0.906 2338 E CB -0.217 29.499 29.700 0.028 0.000 0.795 2338 E HN 0.217 nan 8.360 nan 0.000 0.479 2339 R N 0.011 120.533 120.500 0.037 0.000 2.159 2339 R HA -0.100 4.339 4.340 0.165 0.000 0.237 2339 R C 2.188 178.482 176.300 -0.011 0.000 1.131 2339 R CA 1.087 57.197 56.100 0.016 0.000 0.982 2339 R CB -0.278 30.048 30.300 0.044 0.000 0.868 2339 R HN 0.236 nan 8.270 nan 0.000 0.453 2340 I N 0.303 120.882 120.570 0.014 0.000 2.235 2340 I HA -0.167 4.102 4.170 0.165 0.000 0.241 2340 I C 2.479 178.590 176.117 -0.010 0.000 1.085 2340 I CA 1.137 62.455 61.300 0.030 0.000 1.378 2340 I CB -1.053 36.990 38.000 0.072 0.000 1.076 2340 I HN 0.153 nan 8.210 nan 0.000 0.415 2341 R N 1.334 121.811 120.500 -0.038 0.000 2.096 2341 R HA -0.216 4.223 4.340 0.165 0.000 0.240 2341 R C 2.210 178.426 176.300 -0.141 0.000 1.139 2341 R CA 1.938 57.977 56.100 -0.101 0.000 0.952 2341 R CB -0.058 30.197 30.300 -0.074 0.000 0.854 2341 R HN 0.409 nan 8.270 nan 0.000 0.436 2342 E N -0.309 119.833 120.200 -0.096 0.000 2.085 2342 E HA -0.242 4.207 4.350 0.165 0.000 0.194 2342 E C 1.870 178.404 176.600 -0.111 0.000 0.994 2342 E CA 1.512 57.853 56.400 -0.099 0.000 0.801 2342 E CB -0.045 29.619 29.700 -0.060 0.000 0.743 2342 E HN 0.294 nan 8.360 nan 0.000 0.453 2343 E N 0.804 120.940 120.200 -0.107 0.000 2.208 2343 E HA -0.097 4.352 4.350 0.165 0.000 0.193 2343 E C 1.698 178.274 176.600 -0.040 0.000 0.988 2343 E CA 0.659 56.979 56.400 -0.132 0.000 0.828 2343 E CB -0.033 29.491 29.700 -0.294 0.000 0.763 2343 E HN 0.274 nan 8.360 nan 0.000 0.478 2344 I N -0.055 120.491 120.570 -0.041 0.000 2.193 2344 I HA -0.219 4.050 4.170 0.165 0.000 0.240 2344 I C 2.253 178.237 176.117 -0.223 0.000 1.084 2344 I CA 0.840 62.055 61.300 -0.141 0.000 1.365 2344 I CB -0.335 37.371 38.000 -0.491 0.000 1.064 2344 I HN 0.107 nan 8.210 nan 0.000 0.410 2345 I N 0.734 121.118 120.570 -0.309 0.000 2.113 2345 I HA -0.378 3.891 4.170 0.165 0.000 0.242 2345 I C 2.739 178.783 176.117 -0.122 0.000 1.064 2345 I CA 1.614 62.695 61.300 -0.366 0.000 1.320 2345 I CB -0.358 37.369 38.000 -0.455 0.000 1.028 2345 I HN 0.180 nan 8.210 nan 0.000 0.406 2346 R N 0.878 121.333 120.500 -0.075 0.000 2.249 2346 R HA -0.203 4.236 4.340 0.165 0.000 0.230 2346 R C 1.612 177.937 176.300 0.043 0.000 1.121 2346 R CA 1.640 57.734 56.100 -0.010 0.000 0.997 2346 R CB -0.038 30.243 30.300 -0.033 0.000 0.867 2346 R HN 0.646 nan 8.270 nan 0.000 0.465 2347 E N -2.014 118.214 120.200 0.046 0.000 2.601 2347 E HA 0.033 4.482 4.350 0.165 0.000 0.219 2347 E C 0.797 177.465 176.600 0.114 0.000 0.964 2347 E CA -0.115 56.350 56.400 0.109 0.000 1.050 2347 E CB 0.281 30.035 29.700 0.089 0.000 1.068 2347 E HN 0.163 nan 8.360 nan 0.000 0.496 2348 I N 1.466 122.080 120.570 0.073 0.000 3.265 2348 I HA 0.070 4.339 4.170 0.165 0.000 0.282 2348 I C 2.063 178.360 176.117 0.301 0.000 1.207 2348 I CA 0.424 61.795 61.300 0.119 0.000 1.449 2348 I CB 0.094 38.085 38.000 -0.015 0.000 1.121 2348 I HN -0.024 nan 8.210 nan 0.000 0.442 2349 K N 0.665 121.217 120.400 0.253 0.000 2.032 2349 K HA -0.267 4.152 4.320 0.165 0.000 0.218 2349 K C 0.940 177.653 176.600 0.188 0.000 1.054 2349 K CA 2.216 58.663 56.287 0.266 0.000 0.941 2349 K CB -0.122 32.493 32.500 0.191 0.000 0.720 2349 K HN 0.232 nan 8.250 nan 0.000 0.449 2350 D N -1.289 119.192 120.400 0.135 0.000 2.352 2350 D HA -0.023 4.716 4.640 0.165 0.000 0.232 2350 D C 0.540 176.596 176.300 -0.407 0.000 1.055 2350 D CA 0.688 54.585 54.000 -0.172 0.000 0.891 2350 D CB 0.171 40.758 40.800 -0.355 0.000 0.897 2350 D HN 0.214 nan 8.370 nan 0.000 0.529 2351 F N -0.244 119.728 119.950 0.037 0.000 2.819 2351 F HA 0.472 5.106 4.527 0.179 0.000 0.325 2351 F C 0.742 176.563 175.800 0.035 0.000 1.041 2351 F CA -0.385 57.630 58.000 0.026 0.000 1.184 2351 F CB 0.625 39.630 39.000 0.009 0.000 1.019 2351 F HN -0.155 nan 8.300 nan 0.000 0.590 2352 A N -0.460 122.508 122.820 0.247 0.000 2.608 2352 A HA 0.577 4.996 4.320 0.165 0.000 0.292 2352 A C -1.803 175.886 177.584 0.174 0.000 1.066 2352 A CA -0.746 51.399 52.037 0.181 0.000 0.676 2352 A CB 0.568 19.671 19.000 0.172 0.000 1.277 2352 A HN -0.048 nan 8.150 nan 0.000 0.413 2353 D N 0.185 120.655 120.400 0.116 0.000 2.283 2353 D HA 0.598 5.337 4.640 0.165 0.000 0.248 2353 D C -0.474 175.905 176.300 0.131 0.000 1.072 2353 D CA 0.852 54.873 54.000 0.034 0.000 0.929 2353 D CB 0.673 41.468 40.800 -0.009 0.000 1.182 2353 D HN 0.526 nan 8.370 nan 0.000 0.433 2354 Y N -1.427 118.927 120.300 0.091 0.000 2.669 2354 Y HA 0.683 5.336 4.550 0.171 0.000 0.335 2354 Y C -0.861 175.100 175.900 0.102 0.000 1.116 2354 Y CA -1.342 56.822 58.100 0.106 0.000 1.081 2354 Y CB 1.364 39.879 38.460 0.091 0.000 1.297 2354 Y HN 0.172 nan 8.280 nan 0.000 0.484 2355 K N 0.679 121.314 120.400 0.392 0.000 2.508 2355 K HA 0.765 5.184 4.320 0.165 0.000 0.260 2355 K C -2.343 174.432 176.600 0.291 0.000 0.949 2355 K CA -0.948 55.503 56.287 0.274 0.000 0.834 2355 K CB 2.696 35.327 32.500 0.219 0.000 1.365 2355 K HN 0.693 nan 8.250 nan 0.000 0.437 2356 V N 3.297 123.342 119.914 0.218 0.000 2.349 2356 V HA 0.143 4.362 4.120 0.165 0.000 0.284 2356 V C -0.399 175.758 176.094 0.105 0.000 1.014 2356 V CA -0.939 61.453 62.300 0.154 0.000 0.826 2356 V CB 1.298 33.200 31.823 0.130 0.000 1.009 2356 V HN 0.851 nan 8.190 nan 0.000 0.431 2357 D N 3.145 123.602 120.400 0.094 0.000 2.461 2357 D HA -0.011 4.728 4.640 0.165 0.000 0.231 2357 D C 1.140 177.415 176.300 -0.042 0.000 1.208 2357 D CA 0.821 54.852 54.000 0.052 0.000 0.879 2357 D CB 1.298 42.113 40.800 0.025 0.000 1.220 2357 D HN 0.675 nan 8.370 nan 0.000 0.480 2358 A N 2.505 125.283 122.820 -0.071 0.000 2.235 2358 A HA -0.034 4.385 4.320 0.165 0.000 0.208 2358 A C 1.889 179.259 177.584 -0.356 0.000 1.172 2358 A CA 0.359 52.318 52.037 -0.130 0.000 0.786 2358 A CB -0.241 18.773 19.000 0.023 0.000 0.804 2358 A HN 0.634 nan 8.150 nan 0.000 0.479 2359 I N -3.352 116.877 120.570 -0.568 0.000 4.187 2359 I HA 0.312 4.581 4.170 0.165 0.000 0.326 2359 I C 1.237 177.194 176.117 -0.267 0.000 1.302 2359 I CA 1.035 62.021 61.300 -0.524 0.000 1.196 2359 I CB 0.757 38.261 38.000 -0.827 0.000 1.095 2359 I HN 0.375 nan 8.210 nan 0.000 0.411 2360 G N 0.897 109.590 108.800 -0.178 0.000 2.227 2360 G HA2 -0.204 3.855 3.960 0.165 0.000 0.168 2360 G HA3 -0.204 3.855 3.960 0.165 0.000 0.168 2360 G C -0.249 174.641 174.900 -0.016 0.000 1.006 2360 G CA -0.472 44.579 45.100 -0.082 0.000 0.684 2360 G HN 0.258 nan 8.290 nan 0.000 0.489 2361 N N 0.357 119.059 118.700 0.004 0.000 2.454 2361 N HA 0.313 5.152 4.740 0.165 0.000 0.254 2361 N C -0.308 175.270 175.510 0.113 0.000 1.228 2361 N CA 0.195 53.295 53.050 0.084 0.000 0.900 2361 N CB 1.538 40.096 38.487 0.118 0.000 1.089 2361 N HN 0.342 nan 8.380 nan 0.000 0.449 2362 L N 3.618 124.942 121.223 0.168 0.000 2.277 2362 L HA 0.460 4.899 4.340 0.165 0.000 0.284 2362 L C -1.116 175.932 176.870 0.297 0.000 1.028 2362 L CA -0.503 54.451 54.840 0.191 0.000 0.835 2362 L CB 0.410 42.523 42.059 0.090 0.000 1.215 2362 L HN 0.324 nan 8.230 nan 0.000 0.425 2363 I N 5.688 126.406 120.570 0.246 0.000 2.359 2363 I HA 0.476 4.745 4.170 0.165 0.000 0.294 2363 I C -0.433 175.847 176.117 0.271 0.000 0.987 2363 I CA -0.452 60.970 61.300 0.203 0.000 1.225 2363 I CB 1.778 39.857 38.000 0.131 0.000 1.366 2363 I HN 0.191 nan 8.210 nan 0.000 0.466 2364 V N 5.579 125.662 119.914 0.282 0.000 2.444 2364 V HA 0.386 4.605 4.120 0.165 0.000 0.294 2364 V C -0.190 176.076 176.094 0.287 0.000 1.022 2364 V CA -0.775 61.705 62.300 0.300 0.000 0.850 2364 V CB 1.450 33.464 31.823 0.319 0.000 0.992 2364 V HN 0.666 nan 8.190 nan 0.000 0.426 2365 E N 4.896 125.242 120.200 0.243 0.000 2.197 2365 E HA 0.610 5.059 4.350 0.165 0.000 0.281 2365 E C -1.062 175.668 176.600 0.216 0.000 0.995 2365 E CA -0.440 56.094 56.400 0.224 0.000 0.808 2365 E CB 1.885 31.709 29.700 0.206 0.000 1.093 2365 E HN 0.497 nan 8.360 nan 0.000 0.394 2366 L N 1.922 123.287 121.223 0.236 0.000 2.330 2366 L HA 0.606 5.045 4.340 0.165 0.000 0.271 2366 L C 0.878 177.838 176.870 0.150 0.000 1.013 2366 L CA -0.544 54.416 54.840 0.200 0.000 0.816 2366 L CB 1.470 43.684 42.059 0.257 0.000 1.287 2366 L HN 0.870 nan 8.230 nan 0.000 0.435 2367 G N 2.186 111.062 108.800 0.126 0.000 2.601 2367 G HA2 -0.200 3.859 3.960 0.165 0.000 0.252 2367 G HA3 -0.200 3.859 3.960 0.165 0.000 0.252 2367 G C -0.573 174.381 174.900 0.091 0.000 1.294 2367 G CA -0.208 44.954 45.100 0.103 0.000 0.912 2367 G HN 0.698 nan 8.290 nan 0.000 0.574 2368 E N -1.473 118.773 120.200 0.077 0.000 2.416 2368 E HA 0.535 4.984 4.350 0.165 0.000 0.280 2368 E C 0.290 176.922 176.600 0.054 0.000 1.055 2368 E CA 0.091 56.531 56.400 0.067 0.000 0.825 2368 E CB 1.676 31.412 29.700 0.059 0.000 1.312 2368 E HN 2.356 nan 8.360 nan 0.000 0.452 2369 G N 1.195 110.022 108.800 0.045 0.000 2.443 2369 G HA2 -0.185 3.874 3.960 0.165 0.000 0.209 2369 G HA3 -0.185 3.874 3.960 0.165 0.000 0.209 2369 G C -0.883 174.032 174.900 0.025 0.000 1.176 2369 G CA -0.544 44.575 45.100 0.032 0.000 1.074 2369 G HN 0.495 nan 8.290 nan 0.000 0.577 2370 E N 1.476 121.682 120.200 0.010 0.000 2.373 2370 E HA 0.346 4.795 4.350 0.165 0.000 0.267 2370 E C -0.155 176.443 176.600 -0.004 0.000 1.032 2370 E CA 0.065 56.458 56.400 -0.012 0.000 0.889 2370 E CB 0.620 30.297 29.700 -0.038 0.000 0.984 2370 E HN 0.425 nan 8.360 nan 0.000 0.425 2371 E N 2.509 122.704 120.200 -0.010 0.000 2.029 2371 E HA 0.022 4.471 4.350 0.165 0.000 0.276 2371 E C 0.639 177.206 176.600 -0.054 0.000 1.163 2371 E CA 0.002 56.405 56.400 0.005 0.000 0.909 2371 E CB 0.840 30.580 29.700 0.067 0.000 1.046 2371 E HN 0.353 nan 8.360 nan 0.000 0.406 2372 R N 3.555 124.030 120.500 -0.042 0.000 2.074 2372 R HA 0.169 4.608 4.340 0.165 0.000 0.218 2372 R C 0.285 176.568 176.300 -0.028 0.000 1.137 2372 R CA 0.682 56.759 56.100 -0.038 0.000 0.998 2372 R CB 0.494 30.814 30.300 0.033 0.000 0.895 2372 R HN 0.436 nan 8.270 nan 0.000 0.442 2373 I N 1.342 121.859 120.570 -0.090 0.000 2.608 2373 I HA 0.321 4.590 4.170 0.165 0.000 0.295 2373 I C -0.998 174.868 176.117 -0.418 0.000 1.049 2373 I CA -0.918 60.242 61.300 -0.233 0.000 1.063 2373 I CB 2.443 40.214 38.000 -0.382 0.000 1.248 2373 I HN 0.073 nan 8.210 nan 0.000 0.424 2374 L N 5.544 126.452 121.223 -0.524 0.000 2.356 2374 L HA 0.567 5.006 4.340 0.165 0.000 0.277 2374 L C -1.655 174.801 176.870 -0.690 0.000 0.996 2374 L CA -0.446 54.048 54.840 -0.576 0.000 0.822 2374 L CB 1.667 43.412 42.059 -0.522 0.000 1.256 2374 L HN 0.489 nan 8.230 nan 0.000 0.413 2375 F N 4.983 124.684 119.950 -0.415 0.000 2.426 2375 F HA 0.516 5.148 4.527 0.176 0.000 0.348 2375 F C 0.192 175.806 175.800 -0.310 0.000 1.124 2375 F CA -0.569 57.233 58.000 -0.330 0.000 1.008 2375 F CB 1.862 40.599 39.000 -0.438 0.000 1.139 2375 F HN 0.280 nan 8.300 nan 0.000 0.452 2376 M N 3.629 123.203 119.600 -0.044 0.000 2.311 2376 M HA 0.736 5.315 4.480 0.165 0.000 0.325 2376 M C -0.805 175.445 176.300 -0.083 0.000 1.061 2376 M CA -0.668 54.575 55.300 -0.095 0.000 0.957 2376 M CB 2.224 34.797 32.600 -0.046 0.000 1.646 2376 M HN 0.630 nan 8.290 nan 0.000 0.434 2377 A N 1.753 124.483 122.820 -0.149 0.000 2.402 2377 A HA 0.625 5.044 4.320 0.165 0.000 0.291 2377 A C -1.117 176.444 177.584 -0.039 0.000 1.051 2377 A CA -0.817 51.132 52.037 -0.147 0.000 0.716 2377 A CB 0.350 19.188 19.000 -0.270 0.000 1.223 2377 A HN 0.988 nan 8.150 nan 0.000 0.425 2378 H N 0.703 119.770 119.070 -0.005 0.000 2.652 2378 H HA 0.590 5.258 4.556 0.188 0.000 0.349 2378 H C 0.613 175.980 175.328 0.066 0.000 1.099 2378 H CA -0.447 55.629 56.048 0.046 0.000 1.417 2378 H CB 0.628 30.422 29.762 0.053 0.000 1.457 2378 H HN 0.525 nan 8.280 nan 0.000 0.568 2379 M N 0.832 120.535 119.600 0.171 0.000 2.486 2379 M HA -0.006 4.573 4.480 0.165 0.000 0.264 2379 M C 0.003 176.389 176.300 0.143 0.000 1.125 2379 M CA 0.076 55.447 55.300 0.119 0.000 1.144 2379 M CB 0.220 32.889 32.600 0.116 0.000 1.353 2379 M HN 0.773 nan 8.290 nan 0.000 0.466 2380 D N 2.394 122.929 120.400 0.226 0.000 2.372 2380 D HA 0.065 4.804 4.640 0.165 0.000 0.243 2380 D C -0.350 176.081 176.300 0.219 0.000 1.121 2380 D CA -0.001 54.097 54.000 0.163 0.000 0.898 2380 D CB 0.684 41.540 40.800 0.093 0.000 1.202 2380 D HN 0.414 nan 8.370 nan 0.000 0.428 2381 E N 0.799 121.055 120.200 0.095 0.000 2.264 2381 E HA 0.496 4.945 4.350 0.165 0.000 0.260 2381 E C 0.424 177.009 176.600 -0.026 0.000 0.961 2381 E CA -1.173 55.268 56.400 0.069 0.000 0.834 2381 E CB 1.560 31.294 29.700 0.057 0.000 1.230 2381 E HN 0.596 nan 8.360 nan 0.000 0.412 2382 I N -1.622 118.892 120.570 -0.093 0.000 2.882 2382 I HA 0.672 4.941 4.170 0.165 0.000 0.286 2382 I C 0.303 176.327 176.117 -0.156 0.000 1.139 2382 I CA -0.059 61.153 61.300 -0.147 0.000 1.379 2382 I CB 0.700 38.553 38.000 -0.245 0.000 1.410 2382 I HN 0.784 nan 8.210 nan 0.000 0.594 2383 G N 4.607 113.301 108.800 -0.177 0.000 2.450 2383 G HA2 0.470 4.529 3.960 0.165 0.000 0.273 2383 G HA3 0.470 4.529 3.960 0.165 0.000 0.273 2383 G C -1.879 172.886 174.900 -0.225 0.000 1.221 2383 G CA -0.768 44.179 45.100 -0.256 0.000 0.900 2383 G HN 0.479 nan 8.290 nan 0.000 0.483 2384 L N 0.357 121.442 121.223 -0.230 0.000 2.341 2384 L HA 0.733 5.172 4.340 0.165 0.000 0.278 2384 L C -0.641 176.190 176.870 -0.065 0.000 1.005 2384 L CA -0.774 53.953 54.840 -0.189 0.000 0.818 2384 L CB 1.414 43.198 42.059 -0.459 0.000 1.259 2384 L HN 0.564 nan 8.230 nan 0.000 0.418 2385 L N 4.656 125.890 121.223 0.017 0.000 2.287 2385 L HA 0.553 4.992 4.340 0.165 0.000 0.287 2385 L C -0.431 176.513 176.870 0.123 0.000 1.022 2385 L CA -0.185 54.673 54.840 0.030 0.000 0.814 2385 L CB 0.816 42.885 42.059 0.016 0.000 1.217 2385 L HN 0.286 nan 8.230 nan 0.000 0.420 2386 I N 4.596 125.221 120.570 0.092 0.000 2.598 2386 I HA 0.090 4.359 4.170 0.165 0.000 0.284 2386 I C 1.381 177.573 176.117 0.124 0.000 1.140 2386 I CA 0.386 61.763 61.300 0.129 0.000 1.420 2386 I CB 0.601 38.645 38.000 0.072 0.000 1.387 2386 I HN 0.835 nan 8.210 nan 0.000 0.553 2387 T N 1.440 116.080 114.554 0.143 0.000 3.010 2387 T HA 0.490 4.939 4.350 0.165 0.000 0.257 2387 T C 0.603 175.356 174.700 0.088 0.000 1.020 2387 T CA 0.194 62.363 62.100 0.114 0.000 0.938 2387 T CB 0.580 69.523 68.868 0.125 0.000 1.049 2387 T HN 0.873 nan 8.240 nan 0.000 0.522 2388 G N 0.545 109.396 108.800 0.085 0.000 2.316 2388 G HA2 0.485 4.544 3.960 0.165 0.000 0.296 2388 G HA3 0.485 4.544 3.960 0.165 0.000 0.296 2388 G C -2.210 172.726 174.900 0.059 0.000 1.399 2388 G CA -1.053 44.085 45.100 0.063 0.000 0.833 2388 G HN 0.332 nan 8.290 nan 0.000 0.565 2389 I N 1.469 122.066 120.570 0.044 0.000 2.466 2389 I HA 0.402 4.671 4.170 0.165 0.000 0.289 2389 I C 0.892 177.027 176.117 0.029 0.000 1.026 2389 I CA -0.847 60.476 61.300 0.038 0.000 1.078 2389 I CB 2.272 40.291 38.000 0.032 0.000 1.249 2389 I HN 0.762 nan 8.210 nan 0.000 0.429 2390 T N -0.188 114.383 114.554 0.028 0.000 2.788 2390 T HA 0.134 4.583 4.350 0.165 0.000 0.287 2390 T C 0.780 175.489 174.700 0.016 0.000 1.007 2390 T CA -0.470 61.642 62.100 0.019 0.000 1.005 2390 T CB 1.191 70.070 68.868 0.019 0.000 1.012 2390 T HN 0.483 nan 8.240 nan 0.000 0.530 2391 D N 0.588 120.995 120.400 0.011 0.000 2.178 2391 D HA -0.066 4.673 4.640 0.165 0.000 0.201 2391 D C 1.518 177.824 176.300 0.009 0.000 0.980 2391 D CA 1.248 55.254 54.000 0.009 0.000 0.842 2391 D CB -0.040 40.764 40.800 0.006 0.000 0.948 2391 D HN 0.704 nan 8.370 nan 0.000 0.472 2392 E N -0.647 119.559 120.200 0.010 0.000 2.476 2392 E HA 0.271 4.720 4.350 0.165 0.000 0.191 2392 E C 1.084 177.691 176.600 0.010 0.000 1.064 2392 E CA 0.253 56.658 56.400 0.009 0.000 0.866 2392 E CB 0.208 29.913 29.700 0.008 0.000 0.952 2392 E HN 0.232 nan 8.360 nan 0.000 0.492 2393 G N 1.019 109.827 108.800 0.013 0.000 2.160 2393 G HA2 -0.263 3.796 3.960 0.165 0.000 0.244 2393 G HA3 -0.263 3.796 3.960 0.165 0.000 0.244 2393 G C -0.007 174.905 174.900 0.020 0.000 1.022 2393 G CA 0.009 45.117 45.100 0.014 0.000 0.741 2393 G HN 0.001 nan 8.290 nan 0.000 0.508 2394 K N -0.268 120.149 120.400 0.027 0.000 2.095 2394 K HA 0.668 5.087 4.320 0.165 0.000 0.252 2394 K C 0.704 177.339 176.600 0.058 0.000 0.977 2394 K CA -0.778 55.534 56.287 0.041 0.000 0.900 2394 K CB 1.283 33.810 32.500 0.044 0.000 1.060 2394 K HN 0.241 nan 8.250 nan 0.000 0.449 2395 L N 2.725 124.001 121.223 0.088 0.000 2.264 2395 L HA 0.424 4.863 4.340 0.165 0.000 0.289 2395 L C 0.696 177.677 176.870 0.185 0.000 1.044 2395 L CA -0.648 54.265 54.840 0.121 0.000 0.807 2395 L CB 0.839 42.970 42.059 0.120 0.000 1.192 2395 L HN 0.278 nan 8.230 nan 0.000 0.425 2396 R N 2.946 123.524 120.500 0.130 0.000 2.531 2396 R HA 0.631 5.070 4.340 0.165 0.000 0.273 2396 R C -0.848 175.576 176.300 0.206 0.000 1.070 2396 R CA -0.229 55.923 56.100 0.086 0.000 1.112 2396 R CB 1.061 31.377 30.300 0.027 0.000 1.049 2396 R HN 0.501 nan 8.270 nan 0.000 0.508 2397 F N -1.828 118.220 119.950 0.163 0.000 2.662 2397 F HA 0.584 5.212 4.527 0.168 0.000 0.312 2397 F C -0.843 175.117 175.800 0.266 0.000 1.113 2397 F CA -1.378 56.718 58.000 0.160 0.000 0.951 2397 F CB 1.311 40.372 39.000 0.101 0.000 1.344 2397 F HN 0.164 nan 8.300 nan 0.000 0.462 2398 R N 1.595 122.320 120.500 0.376 0.000 2.664 2398 R HA 0.483 4.922 4.340 0.165 0.000 0.286 2398 R C -0.971 175.384 176.300 0.090 0.000 0.967 2398 R CA -1.067 55.103 56.100 0.116 0.000 0.933 2398 R CB 2.042 32.368 30.300 0.043 0.000 1.146 2398 R HN 0.807 nan 8.270 nan 0.000 0.468 2399 K N 1.321 121.598 120.400 -0.205 0.000 2.185 2399 K HA 0.288 4.707 4.320 0.165 0.000 0.271 2399 K C -0.760 175.755 176.600 -0.141 0.000 1.013 2399 K CA -0.409 55.790 56.287 -0.146 0.000 0.943 2399 K CB 1.473 33.828 32.500 -0.241 0.000 0.998 2399 K HN 0.174 nan 8.250 nan 0.000 0.468 2400 V N 2.185 122.036 119.914 -0.104 0.000 2.407 2400 V HA 0.493 4.713 4.120 0.165 0.000 0.291 2400 V C 0.230 176.275 176.094 -0.082 0.000 1.018 2400 V CA -0.339 61.907 62.300 -0.090 0.000 0.842 2400 V CB 0.741 32.511 31.823 -0.089 0.000 0.996 2400 V HN 1.083 nan 8.190 nan 0.000 0.426 2401 G N 3.871 112.636 108.800 -0.058 0.000 2.795 2401 G HA2 0.158 4.217 3.960 0.165 0.000 0.664 2401 G HA3 0.158 4.217 3.960 0.165 0.000 0.664 2401 G C 0.147 175.048 174.900 0.001 0.000 1.381 2401 G CA -0.464 44.621 45.100 -0.024 0.000 0.853 2401 G HN 1.417 nan 8.290 nan 0.000 0.545 2402 G N -0.619 108.235 108.800 0.090 0.000 2.349 2402 G HA2 0.619 4.678 3.960 0.165 0.000 0.281 2402 G HA3 0.619 4.678 3.960 0.165 0.000 0.281 2402 G C 0.023 175.034 174.900 0.184 0.000 1.182 2402 G CA -0.228 44.949 45.100 0.128 0.000 0.899 2402 G HN 0.944 nan 8.290 nan 0.000 0.455 2403 I N 1.750 122.394 120.570 0.124 0.000 2.533 2403 I HA 0.197 4.466 4.170 0.165 0.000 0.290 2403 I C -0.726 175.487 176.117 0.161 0.000 1.056 2403 I CA -1.071 60.329 61.300 0.167 0.000 1.057 2403 I CB 2.436 40.533 38.000 0.161 0.000 1.240 2403 I HN 0.323 nan 8.210 nan 0.000 0.423 2404 D N 4.615 125.116 120.400 0.169 0.000 2.425 2404 D HA -0.022 4.717 4.640 0.165 0.000 0.247 2404 D C 0.662 177.059 176.300 0.161 0.000 1.147 2404 D CA 0.302 54.387 54.000 0.141 0.000 0.879 2404 D CB 1.221 42.091 40.800 0.116 0.000 1.179 2404 D HN 0.450 nan 8.370 nan 0.000 0.456 2405 D N 3.446 123.943 120.400 0.162 0.000 2.182 2405 D HA -0.143 4.596 4.640 0.165 0.000 0.201 2405 D C 1.811 178.200 176.300 0.148 0.000 0.986 2405 D CA 0.832 54.944 54.000 0.187 0.000 0.847 2405 D CB 0.112 41.012 40.800 0.167 0.000 0.942 2405 D HN 0.499 nan 8.370 nan 0.000 0.467 2406 R N -0.038 120.521 120.500 0.099 0.000 2.200 2406 R HA -0.039 4.400 4.340 0.165 0.000 0.234 2406 R C 1.856 178.211 176.300 0.092 0.000 1.127 2406 R CA 0.546 56.689 56.100 0.071 0.000 0.989 2406 R CB -0.154 30.170 30.300 0.041 0.000 0.869 2406 R HN 0.262 nan 8.270 nan 0.000 0.459 2407 L N 0.456 121.736 121.223 0.095 0.000 2.592 2407 L HA 0.065 4.504 4.340 0.165 0.000 0.227 2407 L C 1.499 178.392 176.870 0.040 0.000 1.127 2407 L CA 0.095 54.948 54.840 0.022 0.000 0.884 2407 L CB 0.055 42.105 42.059 -0.015 0.000 1.065 2407 L HN 0.159 nan 8.230 nan 0.000 0.457 2408 L N -1.691 119.657 121.223 0.208 0.000 2.416 2408 L HA 0.039 4.478 4.340 0.165 0.000 0.216 2408 L C 0.672 177.701 176.870 0.265 0.000 1.098 2408 L CA -0.016 55.012 54.840 0.313 0.000 0.840 2408 L CB -0.061 42.236 42.059 0.396 0.000 0.981 2408 L HN 0.106 nan 8.230 nan 0.000 0.462 2409 Y N 1.618 121.972 120.300 0.089 0.000 2.402 2409 Y HA 0.387 5.036 4.550 0.164 0.000 0.333 2409 Y C 1.139 177.059 175.900 0.034 0.000 1.076 2409 Y CA -0.145 57.993 58.100 0.064 0.000 1.299 2409 Y CB 0.737 39.223 38.460 0.044 0.000 1.197 2409 Y HN 0.180 nan 8.280 nan 0.000 0.517 2410 G N 5.702 114.249 108.800 -0.421 0.000 2.350 2410 G HA2 -0.224 3.835 3.960 0.165 0.000 0.298 2410 G HA3 -0.224 3.835 3.960 0.165 0.000 0.298 2410 G C -0.334 174.493 174.900 -0.122 0.000 1.037 2410 G CA -0.143 44.762 45.100 -0.324 0.000 1.074 2410 G HN 0.520 nan 8.290 nan 0.000 0.511 2411 R N -0.073 120.384 120.500 -0.071 0.000 2.621 2411 R HA 0.369 4.809 4.340 0.165 0.000 0.292 2411 R C 0.049 176.353 176.300 0.007 0.000 0.969 2411 R CA -0.871 55.234 56.100 0.008 0.000 0.887 2411 R CB 1.098 31.427 30.300 0.047 0.000 1.180 2411 R HN 0.513 nan 8.270 nan 0.000 0.450 2412 H N 1.441 120.517 119.070 0.009 0.000 2.764 2412 H HA 0.214 4.869 4.556 0.165 0.000 0.341 2412 H C 0.481 175.841 175.328 0.053 0.000 1.072 2412 H CA 0.086 56.139 56.048 0.009 0.000 1.444 2412 H CB 1.323 31.073 29.762 -0.021 0.000 1.458 2412 H HN 0.339 nan 8.280 nan 0.000 0.572 2413 V N 1.065 121.046 119.914 0.111 0.000 3.074 2413 V HA 0.440 4.659 4.120 0.165 0.000 0.314 2413 V C -0.391 175.698 176.094 -0.009 0.000 1.117 2413 V CA -1.226 61.101 62.300 0.045 0.000 1.014 2413 V CB 2.280 34.070 31.823 -0.056 0.000 1.057 2413 V HN 0.700 nan 8.190 nan 0.000 0.438 2414 N N 0.664 119.327 118.700 -0.061 0.000 2.446 2414 N HA 0.634 5.473 4.740 0.165 0.000 0.265 2414 N C -1.017 174.381 175.510 -0.188 0.000 0.975 2414 N CA -0.533 52.456 53.050 -0.101 0.000 0.928 2414 N CB 1.993 40.426 38.487 -0.090 0.000 1.160 2414 N HN 0.679 nan 8.380 nan 0.000 0.495 2415 V N 2.951 122.751 119.914 -0.190 0.000 2.406 2415 V HA 0.224 4.443 4.120 0.165 0.000 0.272 2415 V C 0.111 176.003 176.094 -0.337 0.000 1.043 2415 V CA -0.648 61.495 62.300 -0.262 0.000 0.915 2415 V CB 1.137 32.857 31.823 -0.172 0.000 0.988 2415 V HN 0.328 nan 8.190 nan 0.000 0.466 2416 V N 5.504 125.056 119.914 -0.605 0.000 2.364 2416 V HA 0.533 4.752 4.120 0.165 0.000 0.272 2416 V C 0.541 176.373 176.094 -0.437 0.000 1.036 2416 V CA -0.122 61.800 62.300 -0.630 0.000 0.880 2416 V CB 1.453 32.610 31.823 -1.109 0.000 0.991 2416 V HN 1.068 nan 8.190 nan 0.000 0.460 2417 T N 0.355 114.786 114.554 -0.205 0.000 2.926 2417 T HA 0.447 4.896 4.350 0.165 0.000 0.289 2417 T C 0.829 175.516 174.700 -0.023 0.000 1.054 2417 T CA -0.718 61.330 62.100 -0.087 0.000 1.015 2417 T CB 1.878 70.707 68.868 -0.066 0.000 1.167 2417 T HN 0.552 nan 8.240 nan 0.000 0.526 2418 E N 0.452 120.664 120.200 0.020 0.000 2.130 2418 E HA -0.189 4.260 4.350 0.165 0.000 0.196 2418 E C 1.706 178.313 176.600 0.011 0.000 0.998 2418 E CA 1.339 57.759 56.400 0.033 0.000 0.806 2418 E CB -0.131 29.591 29.700 0.038 0.000 0.738 2418 E HN 0.625 nan 8.360 nan 0.000 0.459 2419 K N -0.135 120.264 120.400 -0.003 0.000 2.361 2419 K HA 0.138 4.557 4.320 0.165 0.000 0.196 2419 K C 0.761 177.350 176.600 -0.019 0.000 1.039 2419 K CA 0.510 56.792 56.287 -0.008 0.000 1.001 2419 K CB 0.896 33.391 32.500 -0.009 0.000 0.795 2419 K HN 0.150 nan 8.250 nan 0.000 0.495 2420 G N 0.706 109.487 108.800 -0.032 0.000 2.356 2420 G HA2 0.136 4.195 3.960 0.165 0.000 0.288 2420 G HA3 0.136 4.195 3.960 0.165 0.000 0.288 2420 G C -1.741 173.115 174.900 -0.074 0.000 1.302 2420 G CA -1.106 43.968 45.100 -0.044 0.000 0.887 2420 G HN -0.012 nan 8.290 nan 0.000 0.521 2421 I N 0.708 121.232 120.570 -0.077 0.000 2.359 2421 I HA 0.473 4.742 4.170 0.165 0.000 0.294 2421 I C -0.601 175.467 176.117 -0.081 0.000 0.987 2421 I CA -0.753 60.485 61.300 -0.103 0.000 1.225 2421 I CB 1.379 39.322 38.000 -0.095 0.000 1.366 2421 I HN 0.176 nan 8.210 nan 0.000 0.466 2422 L N 5.144 126.313 121.223 -0.091 0.000 2.342 2422 L HA 0.460 4.899 4.340 0.165 0.000 0.271 2422 L C -0.258 176.577 176.870 -0.057 0.000 1.008 2422 L CA -0.918 53.883 54.840 -0.064 0.000 0.818 2422 L CB 1.035 43.058 42.059 -0.059 0.000 1.296 2422 L HN 0.405 nan 8.230 nan 0.000 0.427 2423 D N 1.085 121.466 120.400 -0.031 0.000 2.414 2423 D HA 0.495 5.234 4.640 0.165 0.000 0.242 2423 D C 0.343 176.631 176.300 -0.020 0.000 1.129 2423 D CA 0.423 54.417 54.000 -0.009 0.000 0.885 2423 D CB 1.402 42.212 40.800 0.018 0.000 1.198 2423 D HN 0.723 nan 8.370 nan 0.000 0.437 2424 G N -0.589 108.201 108.800 -0.018 0.000 2.694 2424 G HA2 0.601 4.660 3.960 0.165 0.000 0.290 2424 G HA3 0.601 4.660 3.960 0.165 0.000 0.290 2424 G C -1.511 173.355 174.900 -0.056 0.000 1.386 2424 G CA -0.488 44.589 45.100 -0.038 0.000 0.872 2424 G HN 0.376 nan 8.290 nan 0.000 0.475 2425 V N 0.699 120.568 119.914 -0.075 0.000 2.752 2425 V HA 0.378 4.597 4.120 0.165 0.000 0.302 2425 V C -0.812 175.238 176.094 -0.074 0.000 1.133 2425 V CA -0.521 61.698 62.300 -0.135 0.000 0.919 2425 V CB 1.791 33.488 31.823 -0.210 0.000 1.026 2425 V HN 0.661 nan 8.190 nan 0.000 0.429 2426 I N 4.911 125.445 120.570 -0.060 0.000 2.307 2426 I HA 0.482 4.751 4.170 0.165 0.000 0.289 2426 I C 1.136 177.196 176.117 -0.095 0.000 1.021 2426 I CA -0.106 61.193 61.300 -0.001 0.000 1.224 2426 I CB 1.472 39.523 38.000 0.084 0.000 1.376 2426 I HN 0.704 nan 8.210 nan 0.000 0.470 2427 G N 4.588 113.329 108.800 -0.098 0.000 2.653 2427 G HA2 0.623 4.682 3.960 0.165 0.000 0.265 2427 G HA3 0.623 4.682 3.960 0.165 0.000 0.265 2427 G C -0.662 173.997 174.900 -0.402 0.000 1.237 2427 G CA -0.286 44.705 45.100 -0.183 0.000 0.946 2427 G HN 0.748 nan 8.290 nan 0.000 0.522 2428 A N -0.824 121.757 122.820 -0.398 0.000 2.455 2428 A HA 0.651 5.070 4.320 0.165 0.000 0.300 2428 A C -0.096 177.420 177.584 -0.113 0.000 1.040 2428 A CA -0.283 51.398 52.037 -0.594 0.000 0.697 2428 A CB 1.695 20.302 19.000 -0.655 0.000 1.265 2428 A HN 1.063 nan 8.150 nan 0.000 0.407 2429 T N 3.955 118.577 114.554 0.113 0.000 2.749 2429 T HA 0.557 5.006 4.350 0.165 0.000 0.295 2429 T C -1.889 172.883 174.700 0.120 0.000 0.936 2429 T CA -1.245 60.923 62.100 0.113 0.000 1.060 2429 T CB -0.004 68.946 68.868 0.137 0.000 0.904 2429 T HN 0.537 nan 8.240 nan 0.000 0.500 2430 P HA 0.287 nan 4.420 nan 0.000 0.274 2430 P C -2.148 175.262 177.300 0.183 0.000 1.231 2430 P CA -1.577 61.619 63.100 0.161 0.000 0.790 2430 P CB 0.484 32.274 31.700 0.150 0.000 0.951 2431 P HA -0.123 nan 4.420 nan 0.000 0.226 2431 P C 0.878 178.174 177.300 -0.007 0.000 1.153 2431 P CA 1.358 64.485 63.100 0.045 0.000 0.777 2431 P CB -0.167 31.510 31.700 -0.037 0.000 0.794 2432 H N -1.249 117.830 119.070 0.015 0.000 2.423 2432 H HA 0.038 4.693 4.556 0.165 0.000 0.297 2432 H C 0.995 176.329 175.328 0.011 0.000 1.075 2432 H CA 0.629 56.684 56.048 0.011 0.000 1.342 2432 H CB -0.536 29.231 29.762 0.008 0.000 1.395 2432 H HN 0.108 nan 8.280 nan 0.000 0.530 2440 S N 0.441 116.090 115.700 -0.085 0.000 2.667 2440 S HA 0.603 5.172 4.470 0.165 0.000 0.292 2440 S C -1.052 173.461 174.600 -0.145 0.000 1.126 2440 S CA -0.529 57.616 58.200 -0.091 0.000 0.881 2440 S CB 1.961 65.117 63.200 -0.073 0.000 1.132 2440 S HN -0.006 nan 8.310 nan 0.000 0.492 2441 V N 2.997 122.838 119.914 -0.120 0.000 2.455 2441 V HA 0.325 4.544 4.120 0.165 0.000 0.273 2441 V C -0.199 175.794 176.094 -0.169 0.000 1.045 2441 V CA -0.111 62.103 62.300 -0.145 0.000 0.976 2441 V CB 0.466 32.245 31.823 -0.073 0.000 0.993 2441 V HN 0.630 nan 8.190 nan 0.000 0.475 2442 I N 9.054 129.480 120.570 -0.239 0.000 2.396 2442 I HA 0.260 4.529 4.170 0.165 0.000 0.289 2442 I C -1.733 174.270 176.117 -0.190 0.000 1.056 2442 I CA -1.491 59.680 61.300 -0.214 0.000 1.365 2442 I CB 1.152 39.023 38.000 -0.216 0.000 1.407 2442 I HN 0.480 nan 8.210 nan 0.000 0.509 2443 P HA -0.048 nan 4.420 nan 0.000 0.272 2443 P C 0.726 177.702 177.300 -0.541 0.000 1.223 2443 P CA -0.319 62.467 63.100 -0.524 0.000 0.784 2443 P CB 0.432 31.456 31.700 -1.127 0.000 0.923 2444 W N 3.335 124.470 121.300 -0.276 0.000 2.325 2444 W HA -0.251 4.510 4.660 0.167 0.000 0.299 2444 W C 1.483 177.840 176.519 -0.270 0.000 1.215 2444 W CA 1.341 58.619 57.345 -0.112 0.000 1.244 2444 W CB -2.217 27.279 29.460 0.061 0.000 1.140 2444 W HN 0.437 nan 8.180 nan 0.000 0.523 2445 Y N 0.414 119.989 120.300 -1.209 0.000 2.571 2445 Y HA 0.109 4.758 4.550 0.165 0.000 0.294 2445 Y C 1.255 176.822 175.900 -0.555 0.000 1.141 2445 Y CA 1.056 58.452 58.100 -1.174 0.000 1.308 2445 Y CB -1.105 36.409 38.460 -1.577 0.000 1.002 2445 Y HN -0.174 nan 8.280 nan 0.000 0.551 2446 D N 0.751 120.870 120.400 -0.468 0.000 2.349 2446 D HA 0.190 4.929 4.640 0.165 0.000 0.214 2446 D C 0.270 176.496 176.300 -0.124 0.000 1.063 2446 D CA 0.251 54.125 54.000 -0.210 0.000 0.847 2446 D CB 0.327 41.007 40.800 -0.201 0.000 0.933 2446 D HN 0.336 nan 8.370 nan 0.000 0.513 2447 L N 0.449 121.589 121.223 -0.138 0.000 2.387 2447 L HA 0.552 4.991 4.340 0.165 0.000 0.266 2447 L C 0.171 177.042 176.870 0.001 0.000 1.059 2447 L CA -0.935 53.923 54.840 0.030 0.000 0.801 2447 L CB 1.770 43.973 42.059 0.242 0.000 1.223 2447 L HN -0.216 nan 8.230 nan 0.000 0.456 2448 V N -1.162 118.872 119.914 0.200 0.000 3.147 2448 V HA 0.538 4.757 4.120 0.165 0.000 0.306 2448 V C -0.718 175.565 176.094 0.315 0.000 1.209 2448 V CA -0.843 61.609 62.300 0.253 0.000 1.023 2448 V CB 2.081 33.969 31.823 0.108 0.000 1.059 2448 V HN 0.537 nan 8.190 nan 0.000 0.435 2449 I N 2.141 122.885 120.570 0.290 0.000 2.331 2449 I HA 0.408 4.677 4.170 0.165 0.000 0.292 2449 I C -0.504 175.654 176.117 0.068 0.000 0.998 2449 I CA 0.011 61.389 61.300 0.131 0.000 1.267 2449 I CB 1.255 39.293 38.000 0.063 0.000 1.386 2449 I HN 0.708 nan 8.210 nan 0.000 0.476 2450 D N 7.262 127.677 120.400 0.025 0.000 2.313 2450 D HA 0.248 4.987 4.640 0.165 0.000 0.239 2450 D C 0.505 176.797 176.300 -0.013 0.000 1.142 2450 D CA -0.282 53.719 54.000 0.003 0.000 0.847 2450 D CB 1.095 41.885 40.800 -0.017 0.000 1.082 2450 D HN 0.523 nan 8.370 nan 0.000 0.480 2451 I N 0.537 121.103 120.570 -0.008 0.000 3.974 2451 I HA 0.422 4.691 4.170 0.165 0.000 0.334 2451 I C 1.103 177.212 176.117 -0.013 0.000 1.437 2451 I CA -0.444 60.847 61.300 -0.015 0.000 1.113 2451 I CB 0.238 38.229 38.000 -0.015 0.000 1.063 2451 I HN 0.467 nan 8.210 nan 0.000 0.400 2452 G N 1.697 110.489 108.800 -0.012 0.000 2.148 2452 G HA2 -0.236 3.824 3.960 0.165 0.000 0.254 2452 G HA3 -0.236 3.824 3.960 0.165 0.000 0.254 2452 G C 0.340 175.236 174.900 -0.007 0.000 0.981 2452 G CA 0.086 45.179 45.100 -0.011 0.000 0.670 2452 G HN 0.940 nan 8.290 nan 0.000 0.528 2453 A N -0.691 122.127 122.820 -0.004 0.000 2.327 2453 A HA 0.781 5.200 4.320 0.165 0.000 0.283 2453 A C 0.911 178.495 177.584 0.000 0.000 1.127 2453 A CA 0.615 52.651 52.037 -0.001 0.000 0.810 2453 A CB 0.691 19.692 19.000 0.001 0.000 1.066 2453 A HN 0.267 nan 8.150 nan 0.000 0.492 2454 E N 0.281 120.481 120.200 0.000 0.000 2.318 2454 E HA 0.067 4.516 4.350 0.165 0.000 0.193 2454 E C 0.603 177.204 176.600 0.003 0.000 0.998 2454 E CA 1.169 57.570 56.400 0.001 0.000 0.859 2454 E CB 0.262 29.961 29.700 -0.000 0.000 0.812 2454 E HN 0.772 nan 8.360 nan 0.000 0.492 2455 S N -1.865 113.838 115.700 0.004 0.000 2.651 2455 S HA 0.337 4.906 4.470 0.165 0.000 0.279 2455 S C 0.533 175.138 174.600 0.007 0.000 1.148 2455 S CA -0.857 57.347 58.200 0.005 0.000 0.837 2455 S CB 1.629 64.832 63.200 0.004 0.000 1.138 2455 S HN -0.028 nan 8.310 nan 0.000 0.478 2456 K N 0.440 120.846 120.400 0.009 0.000 2.063 2456 K HA -0.151 4.268 4.320 0.165 0.000 0.208 2456 K C 1.370 177.976 176.600 0.010 0.000 1.048 2456 K CA 2.114 58.408 56.287 0.011 0.000 0.928 2456 K CB -0.338 32.169 32.500 0.011 0.000 0.713 2456 K HN 0.652 nan 8.250 nan 0.000 0.442 2457 E N 0.533 120.738 120.200 0.008 0.000 2.106 2457 E HA -0.170 4.279 4.350 0.165 0.000 0.192 2457 E C 1.767 178.370 176.600 0.006 0.000 0.984 2457 E CA 1.285 57.690 56.400 0.007 0.000 0.806 2457 E CB 0.007 29.711 29.700 0.006 0.000 0.750 2457 E HN 0.431 nan 8.360 nan 0.000 0.458 2458 E N 0.061 120.264 120.200 0.005 0.000 2.072 2458 E HA -0.111 4.338 4.350 0.165 0.000 0.190 2458 E C 1.952 178.554 176.600 0.003 0.000 0.982 2458 E CA 0.856 57.258 56.400 0.003 0.000 0.803 2458 E CB -0.070 29.632 29.700 0.002 0.000 0.755 2458 E HN 0.241 nan 8.360 nan 0.000 0.453 2459 A N 0.984 123.807 122.820 0.006 0.000 1.902 2459 A HA -0.163 4.256 4.320 0.165 0.000 0.217 2459 A C 2.161 179.749 177.584 0.007 0.000 1.181 2459 A CA 1.080 53.121 52.037 0.006 0.000 0.623 2459 A CB -0.700 18.307 19.000 0.011 0.000 0.818 2459 A HN 0.316 nan 8.150 nan 0.000 0.443 2460 L N -0.494 120.735 121.223 0.010 0.000 2.127 2460 L HA -0.220 4.219 4.340 0.165 0.000 0.211 2460 L C 2.464 179.339 176.870 0.008 0.000 1.089 2460 L CA 1.521 56.367 54.840 0.011 0.000 0.757 2460 L CB -0.494 41.572 42.059 0.013 0.000 0.899 2460 L HN 0.490 nan 8.230 nan 0.000 0.434 2461 E N -0.249 119.954 120.200 0.005 0.000 2.204 2461 E HA -0.202 4.248 4.350 0.165 0.000 0.195 2461 E C 2.077 178.676 176.600 -0.001 0.000 0.990 2461 E CA 0.982 57.383 56.400 0.003 0.000 0.821 2461 E CB 0.019 29.720 29.700 0.001 0.000 0.750 2461 E HN 0.538 nan 8.360 nan 0.000 0.477 2462 L N -0.501 120.720 121.223 -0.003 0.000 2.388 2462 L HA 0.143 4.583 4.340 0.165 0.000 0.209 2462 L C 0.275 177.137 176.870 -0.013 0.000 1.061 2462 L CA 0.088 54.922 54.840 -0.010 0.000 0.834 2462 L CB 0.785 42.837 42.059 -0.012 0.000 1.029 2462 L HN -0.142 nan 8.230 nan 0.000 0.473 2463 V N -0.443 119.468 119.914 -0.006 0.000 2.932 2463 V HA 0.416 4.635 4.120 0.165 0.000 0.307 2463 V C -1.025 175.075 176.094 0.010 0.000 1.147 2463 V CA -0.900 61.397 62.300 -0.007 0.000 0.951 2463 V CB 2.344 34.159 31.823 -0.014 0.000 1.031 2463 V HN -0.055 nan 8.190 nan 0.000 0.426 2464 K N 3.108 123.519 120.400 0.019 0.000 2.281 2464 K HA 0.741 5.160 4.320 0.165 0.000 0.242 2464 K C -2.863 173.766 176.600 0.047 0.000 0.971 2464 K CA -2.358 53.949 56.287 0.034 0.000 0.834 2464 K CB 1.504 34.028 32.500 0.039 0.000 1.181 2464 K HN 0.320 nan 8.250 nan 0.000 0.435 2465 P HA 0.026 nan 4.420 nan 0.000 0.266 2465 P C -0.222 177.131 177.300 0.088 0.000 1.186 2465 P CA 0.497 63.639 63.100 0.070 0.000 0.767 2465 P CB 0.304 32.042 31.700 0.065 0.000 0.820 2466 L N -2.009 119.277 121.223 0.105 0.000 4.892 2466 L HA -0.217 4.222 4.340 0.165 0.000 0.403 2466 L C 0.320 177.302 176.870 0.187 0.000 0.913 2466 L CA 0.480 55.416 54.840 0.160 0.000 1.653 2466 L CB -1.588 40.580 42.059 0.181 0.000 1.780 2466 L HN 0.393 nan 8.230 nan 0.000 0.597 2467 D N 0.269 120.731 120.400 0.103 0.000 2.414 2467 D HA 0.656 5.395 4.640 0.165 0.000 0.251 2467 D C 0.006 176.296 176.300 -0.017 0.000 1.252 2467 D CA 0.426 54.458 54.000 0.052 0.000 0.999 2467 D CB 0.612 41.396 40.800 -0.026 0.000 1.093 2467 D HN 0.159 nan 8.370 nan 0.000 0.515 2468 F N -2.001 117.788 119.950 -0.269 0.000 2.692 2468 F HA 0.815 5.439 4.527 0.162 0.000 0.320 2468 F C -1.457 174.200 175.800 -0.239 0.000 1.123 2468 F CA -1.209 56.591 58.000 -0.333 0.000 0.961 2468 F CB 1.211 39.853 39.000 -0.595 0.000 1.383 2468 F HN 0.322 nan 8.300 nan 0.000 0.483 2469 A N 0.946 123.690 122.820 -0.126 0.000 2.572 2469 A HA 0.843 5.262 4.320 0.165 0.000 0.295 2469 A C -1.375 176.097 177.584 -0.188 0.000 1.072 2469 A CA -0.279 51.608 52.037 -0.250 0.000 0.691 2469 A CB 1.547 20.383 19.000 -0.272 0.000 1.291 2469 A HN 1.976 nan 8.150 nan 0.000 0.404 2470 V N -1.495 118.293 119.914 -0.211 0.000 3.102 2470 V HA 0.828 5.047 4.120 0.165 0.000 0.312 2470 V C -0.428 175.523 176.094 -0.238 0.000 1.135 2470 V CA -1.234 60.906 62.300 -0.267 0.000 1.022 2470 V CB 1.271 33.054 31.823 -0.066 0.000 1.056 2470 V HN 0.781 nan 8.190 nan 0.000 0.436 2471 F N 0.952 120.883 119.950 -0.031 0.000 2.496 2471 F HA 0.367 4.990 4.527 0.159 0.000 0.344 2471 F C 1.249 177.030 175.800 -0.032 0.000 1.155 2471 F CA -0.236 57.746 58.000 -0.030 0.000 1.302 2471 F CB 0.472 39.465 39.000 -0.011 0.000 1.159 2471 F HN 0.452 nan 8.300 nan 0.000 0.595 2472 K N 1.917 122.415 120.400 0.164 0.000 2.319 2472 K HA 0.171 4.590 4.320 0.165 0.000 0.265 2472 K C -0.696 175.902 176.600 -0.004 0.000 1.000 2472 K CA -0.109 56.194 56.287 0.028 0.000 0.943 2472 K CB 0.506 32.974 32.500 -0.054 0.000 0.950 2472 K HN 0.528 nan 8.250 nan 0.000 0.485 2473 K N 2.630 123.001 120.400 -0.048 0.000 2.559 2473 K HA 0.208 4.627 4.320 0.165 0.000 0.249 2473 K C -0.804 175.791 176.600 -0.008 0.000 0.958 2473 K CA -0.599 55.695 56.287 0.013 0.000 0.901 2473 K CB 1.058 33.622 32.500 0.108 0.000 1.124 2473 K HN 0.473 nan 8.250 nan 0.000 0.437 2474 H N 1.292 120.409 119.070 0.080 0.000 2.757 2474 H HA 0.073 4.726 4.556 0.162 0.000 0.370 2474 H C -0.791 174.633 175.328 0.160 0.000 1.172 2474 H CA 0.431 56.531 56.048 0.087 0.000 1.426 2474 H CB 0.570 30.353 29.762 0.034 0.000 1.438 2474 H HN 0.425 nan 8.280 nan 0.000 0.612 2475 F N 0.954 120.999 119.950 0.158 0.000 2.539 2475 F HA 0.275 4.864 4.527 0.104 0.000 0.328 2475 F C -0.737 175.111 175.800 0.080 0.000 1.148 2475 F CA -0.304 57.757 58.000 0.102 0.000 0.940 2475 F CB 1.141 40.187 39.000 0.076 0.000 1.194 2475 F HN 0.245 nan 8.300 nan 0.000 0.438 2476 S N 3.777 119.337 115.700 -0.233 0.000 2.568 2476 S HA 0.780 5.349 4.470 0.165 0.000 0.302 2476 S C -1.179 173.301 174.600 -0.199 0.000 1.082 2476 S CA -0.728 57.405 58.200 -0.111 0.000 1.009 2476 S CB 2.158 65.311 63.200 -0.077 0.000 1.069 2476 S HN 0.375 nan 8.310 nan 0.000 0.500 2477 V N 3.391 123.286 119.914 -0.031 0.000 2.378 2477 V HA 0.417 4.636 4.120 0.165 0.000 0.288 2477 V C -0.773 175.337 176.094 0.025 0.000 1.016 2477 V CA -0.573 61.724 62.300 -0.004 0.000 0.840 2477 V CB 1.149 33.010 31.823 0.063 0.000 0.994 2477 V HN 0.685 nan 8.190 nan 0.000 0.431 2478 L N 4.628 125.888 121.223 0.062 0.000 2.264 2478 L HA 0.496 4.935 4.340 0.165 0.000 0.289 2478 L C 0.996 177.957 176.870 0.150 0.000 1.044 2478 L CA -0.510 54.388 54.840 0.096 0.000 0.807 2478 L CB 0.632 42.743 42.059 0.087 0.000 1.192 2478 L HN 0.774 nan 8.230 nan 0.000 0.425 2479 N N 2.851 121.607 118.700 0.093 0.000 2.696 2479 N HA -0.243 4.596 4.740 0.165 0.000 0.249 2479 N C 0.991 176.532 175.510 0.052 0.000 1.090 2479 N CA 1.278 54.379 53.050 0.085 0.000 0.716 2479 N CB -0.616 37.947 38.487 0.128 0.000 1.020 2479 N HN 1.073 nan 8.380 nan 0.000 0.548 2480 G N -1.620 107.195 108.800 0.026 0.000 2.245 2480 G HA2 -0.392 3.667 3.960 0.165 0.000 0.264 2480 G HA3 -0.392 3.667 3.960 0.165 0.000 0.264 2480 G C 0.970 175.812 174.900 -0.097 0.000 0.985 2480 G CA 1.008 46.096 45.100 -0.019 0.000 0.625 2480 G HN 0.599 nan 8.290 nan 0.000 0.536 2481 K N -1.327 118.977 120.400 -0.160 0.000 2.399 2481 K HA 0.309 4.728 4.320 0.165 0.000 0.196 2481 K C 0.093 176.295 176.600 -0.664 0.000 1.117 2481 K CA 0.149 56.138 56.287 -0.497 0.000 0.965 2481 K CB 0.626 32.716 32.500 -0.683 0.000 0.983 2481 K HN 0.388 nan 8.250 nan 0.000 0.531 2482 Y N 0.383 120.570 120.300 -0.188 0.000 2.409 2482 Y HA 0.373 5.019 4.550 0.160 0.000 0.339 2482 Y C -0.162 175.658 175.900 -0.132 0.000 1.033 2482 Y CA -1.158 56.855 58.100 -0.146 0.000 1.094 2482 Y CB 1.692 40.115 38.460 -0.062 0.000 1.210 2482 Y HN -0.371 nan 8.280 nan 0.000 0.456 2483 V N 2.202 122.122 119.914 0.010 0.000 2.417 2483 V HA 0.448 4.667 4.120 0.165 0.000 0.291 2483 V C -0.536 175.464 176.094 -0.157 0.000 1.024 2483 V CA -0.539 61.677 62.300 -0.139 0.000 0.861 2483 V CB 1.703 33.449 31.823 -0.128 0.000 0.985 2483 V HN 0.768 nan 8.190 nan 0.000 0.436 2484 S N 3.649 119.181 115.700 -0.280 0.000 2.596 2484 S HA 0.788 5.357 4.470 0.165 0.000 0.318 2484 S C -0.603 173.853 174.600 -0.239 0.000 1.097 2484 S CA -0.222 57.878 58.200 -0.166 0.000 1.080 2484 S CB 1.175 64.340 63.200 -0.059 0.000 0.991 2484 S HN 0.975 nan 8.310 nan 0.000 0.471 2485 T N 2.655 117.152 114.554 -0.094 0.000 2.831 2485 T HA 0.385 4.834 4.350 0.165 0.000 0.333 2485 T C -1.409 173.355 174.700 0.107 0.000 1.684 2485 T CA -0.760 61.350 62.100 0.017 0.000 1.049 2485 T CB 1.093 70.009 68.868 0.081 0.000 1.518 2485 T HN 0.691 nan 8.240 nan 0.000 0.491 2486 R N 1.166 121.753 120.500 0.146 0.000 2.590 2486 R HA 0.548 4.987 4.340 0.165 0.000 0.274 2486 R C 1.422 177.832 176.300 0.183 0.000 1.061 2486 R CA 1.801 58.006 56.100 0.174 0.000 1.081 2486 R CB -0.193 30.231 30.300 0.207 0.000 0.984 2486 R HN 1.312 nan 8.270 nan 0.000 0.448 2487 G N 3.074 111.982 108.800 0.180 0.000 2.213 2487 G HA2 -0.292 3.767 3.960 0.165 0.000 0.236 2487 G HA3 -0.292 3.767 3.960 0.165 0.000 0.236 2487 G C 0.830 175.847 174.900 0.194 0.000 0.991 2487 G CA 0.246 45.450 45.100 0.174 0.000 0.629 2487 G HN 0.538 nan 8.290 nan 0.000 0.517 2488 L N 0.794 122.145 121.223 0.215 0.000 2.103 2488 L HA -0.059 4.380 4.340 0.165 0.000 0.215 2488 L C 1.431 178.515 176.870 0.357 0.000 1.080 2488 L CA 1.872 56.869 54.840 0.262 0.000 0.764 2488 L CB -0.289 41.886 42.059 0.194 0.000 0.890 2488 L HN 0.444 nan 8.230 nan 0.000 0.435 2489 D N -0.180 120.401 120.400 0.303 0.000 2.380 2489 D HA 0.056 4.795 4.640 0.165 0.000 0.230 2489 D C -0.281 176.113 176.300 0.157 0.000 1.154 2489 D CA -0.114 54.064 54.000 0.297 0.000 0.859 2489 D CB 0.690 41.716 40.800 0.376 0.000 1.045 2489 D HN -0.046 nan 8.370 nan 0.000 0.495 2490 D N 3.044 123.367 120.400 -0.129 0.000 2.891 2490 D HA 0.121 4.860 4.640 0.165 0.000 0.312 2490 D C 0.804 176.934 176.300 -0.282 0.000 1.354 2490 D CA -0.283 53.538 54.000 -0.298 0.000 0.838 2490 D CB 0.211 40.500 40.800 -0.851 0.000 1.117 2490 D HN 0.223 nan 8.370 nan 0.000 0.473 2491 R N -0.066 120.404 120.500 -0.051 0.000 2.148 2491 R HA -0.053 4.386 4.340 0.165 0.000 0.223 2491 R C 1.920 178.196 176.300 -0.041 0.000 1.088 2491 R CA 0.502 56.594 56.100 -0.013 0.000 0.985 2491 R CB -0.913 29.469 30.300 0.138 0.000 0.880 2491 R HN 0.440 nan 8.270 nan 0.000 0.451 2492 F N 0.088 120.034 119.950 -0.007 0.000 2.134 2492 F HA 0.007 4.552 4.527 0.030 0.000 0.299 2492 F C 2.030 177.793 175.800 -0.061 0.000 1.097 2492 F CA 1.398 59.386 58.000 -0.019 0.000 1.264 2492 F CB -1.168 37.839 39.000 0.012 0.000 1.001 2492 F HN -0.046 nan 8.300 nan 0.000 0.479 2493 G N 0.725 108.663 108.800 -1.438 0.000 2.432 2493 G HA2 -0.156 3.903 3.960 0.165 0.000 0.219 2493 G HA3 -0.156 3.903 3.960 0.165 0.000 0.219 2493 G C 1.640 176.266 174.900 -0.456 0.000 1.135 2493 G CA 1.194 45.660 45.100 -1.058 0.000 0.767 2493 G HN 0.406 nan 8.290 nan 0.000 0.550 2494 V N 0.335 120.053 119.914 -0.326 0.000 2.323 2494 V HA -0.126 4.093 4.120 0.165 0.000 0.244 2494 V C 2.975 178.933 176.094 -0.228 0.000 1.041 2494 V CA 1.289 63.510 62.300 -0.132 0.000 1.025 2494 V CB -0.215 31.515 31.823 -0.155 0.000 0.656 2494 V HN 0.237 nan 8.190 nan 0.000 0.451 2495 V N 0.410 120.110 119.914 -0.357 0.000 2.490 2495 V HA -0.243 3.976 4.120 0.165 0.000 0.250 2495 V C 2.663 178.638 176.094 -0.198 0.000 1.061 2495 V CA 1.917 64.013 62.300 -0.341 0.000 1.064 2495 V CB -1.007 30.679 31.823 -0.227 0.000 0.670 2495 V HN 0.557 nan 8.190 nan 0.000 0.461 2496 A N -0.520 122.201 122.820 -0.164 0.000 1.930 2496 A HA -0.098 4.321 4.320 0.165 0.000 0.217 2496 A C 2.203 179.681 177.584 -0.177 0.000 1.175 2496 A CA 1.474 53.426 52.037 -0.141 0.000 0.627 2496 A CB -0.375 18.555 19.000 -0.118 0.000 0.815 2496 A HN 0.482 nan 8.150 nan 0.000 0.443 2497 L N -0.765 120.360 121.223 -0.164 0.000 2.072 2497 L HA -0.099 4.340 4.340 0.165 0.000 0.205 2497 L C 2.479 179.266 176.870 -0.138 0.000 1.079 2497 L CA 0.996 55.751 54.840 -0.142 0.000 0.752 2497 L CB -0.524 41.397 42.059 -0.230 0.000 0.906 2497 L HN 0.379 nan 8.230 nan 0.000 0.436 2498 I N 0.072 120.615 120.570 -0.045 0.000 2.127 2498 I HA -0.320 3.950 4.170 0.165 0.000 0.241 2498 I C 2.524 178.487 176.117 -0.255 0.000 1.075 2498 I CA 1.324 62.538 61.300 -0.142 0.000 1.334 2498 I CB -0.149 37.721 38.000 -0.216 0.000 1.040 2498 I HN 0.235 nan 8.210 nan 0.000 0.405 2499 E N 0.881 120.946 120.200 -0.225 0.000 2.118 2499 E HA -0.236 4.213 4.350 0.165 0.000 0.195 2499 E C 2.100 178.562 176.600 -0.229 0.000 0.992 2499 E CA 1.665 57.939 56.400 -0.211 0.000 0.804 2499 E CB -0.139 29.467 29.700 -0.156 0.000 0.741 2499 E HN 0.485 nan 8.360 nan 0.000 0.458 2500 A N 0.209 122.872 122.820 -0.262 0.000 1.873 2500 A HA -0.135 4.284 4.320 0.165 0.000 0.215 2500 A C 2.266 179.618 177.584 -0.386 0.000 1.186 2500 A CA 1.341 53.207 52.037 -0.285 0.000 0.616 2500 A CB -0.683 18.165 19.000 -0.254 0.000 0.823 2500 A HN 0.296 nan 8.150 nan 0.000 0.442 2501 I N -0.094 120.117 120.570 -0.597 0.000 2.118 2501 I HA -0.351 3.918 4.170 0.165 0.000 0.241 2501 I C 2.411 178.348 176.117 -0.300 0.000 1.070 2501 I CA 1.984 62.920 61.300 -0.606 0.000 1.327 2501 I CB -0.268 37.399 38.000 -0.555 0.000 1.034 2501 I HN 0.305 nan 8.210 nan 0.000 0.405 2502 K N 0.100 120.316 120.400 -0.307 0.000 2.209 2502 K HA -0.180 4.239 4.320 0.165 0.000 0.204 2502 K C 1.229 177.791 176.600 -0.063 0.000 1.048 2502 K CA 1.237 57.370 56.287 -0.256 0.000 0.940 2502 K CB -0.171 32.022 32.500 -0.513 0.000 0.729 2502 K HN 0.339 nan 8.250 nan 0.000 0.451 2503 D N 0.232 120.583 120.400 -0.081 0.000 2.348 2503 D HA 0.036 4.775 4.640 0.165 0.000 0.211 2503 D C 1.535 177.889 176.300 0.091 0.000 0.998 2503 D CA 0.553 54.562 54.000 0.014 0.000 0.873 2503 D CB 0.350 41.117 40.800 -0.055 0.000 0.925 2503 D HN 0.132 nan 8.370 nan 0.000 0.524 2504 L N 0.201 121.434 121.223 0.018 0.000 2.470 2504 L HA 0.012 4.451 4.340 0.165 0.000 0.219 2504 L C 2.306 179.261 176.870 0.142 0.000 1.071 2504 L CA 0.209 55.080 54.840 0.050 0.000 0.850 2504 L CB 0.026 42.046 42.059 -0.065 0.000 1.040 2504 L HN -0.069 nan 8.230 nan 0.000 0.475 2505 V N -2.510 117.468 119.914 0.106 0.000 2.453 2505 V HA -0.267 3.952 4.120 0.165 0.000 0.252 2505 V C 1.751 177.918 176.094 0.122 0.000 1.068 2505 V CA 1.995 64.365 62.300 0.117 0.000 1.070 2505 V CB -0.648 31.255 31.823 0.134 0.000 0.664 2505 V HN 0.351 nan 8.190 nan 0.000 0.461 2506 D N -0.149 120.329 120.400 0.131 0.000 2.197 2506 D HA -0.007 4.732 4.640 0.165 0.000 0.212 2506 D C 1.572 177.863 176.300 -0.014 0.000 0.963 2506 D CA 1.314 55.321 54.000 0.012 0.000 0.864 2506 D CB -0.461 40.278 40.800 -0.103 0.000 1.009 2506 D HN 0.650 nan 8.370 nan 0.000 0.479 2507 H N 0.722 119.886 119.070 0.156 0.000 2.933 2507 H HA 0.162 4.817 4.556 0.165 0.000 0.306 2507 H C -0.163 175.320 175.328 0.258 0.000 1.142 2507 H CA -0.084 56.095 56.048 0.218 0.000 1.193 2507 H CB -0.645 29.340 29.762 0.372 0.000 1.330 2507 H HN -0.103 nan 8.280 nan 0.000 0.585 2508 E N 1.263 121.602 120.200 0.233 0.000 2.311 2508 E HA 0.029 4.478 4.350 0.165 0.000 0.247 2508 E C -0.612 176.109 176.600 0.202 0.000 1.215 2508 E CA 0.005 56.522 56.400 0.196 0.000 0.957 2508 E CB -0.405 29.371 29.700 0.127 0.000 1.020 2508 E HN 0.335 nan 8.360 nan 0.000 0.461 2509 L N 3.225 124.604 121.223 0.261 0.000 2.397 2509 L HA 0.493 4.932 4.340 0.165 0.000 0.266 2509 L C 0.458 177.424 176.870 0.161 0.000 1.040 2509 L CA -0.396 54.578 54.840 0.222 0.000 0.800 2509 L CB 1.034 43.284 42.059 0.318 0.000 1.324 2509 L HN 0.395 nan 8.230 nan 0.000 0.469 2510 E N -1.101 119.179 120.200 0.133 0.000 2.445 2510 E HA 0.434 4.883 4.350 0.165 0.000 0.273 2510 E C 0.008 176.662 176.600 0.090 0.000 0.961 2510 E CA -0.403 56.056 56.400 0.099 0.000 0.807 2510 E CB 0.993 30.742 29.700 0.082 0.000 1.362 2510 E HN 0.592 nan 8.360 nan 0.000 0.453 2511 G N 0.635 109.477 108.800 0.070 0.000 2.751 2511 G HA2 -0.014 4.045 3.960 0.165 0.000 0.187 2511 G HA3 -0.014 4.045 3.960 0.165 0.000 0.187 2511 G C -0.166 174.772 174.900 0.063 0.000 1.733 2511 G CA 0.183 45.318 45.100 0.059 0.000 0.898 2511 G HN 0.220 nan 8.290 nan 0.000 0.408 2512 K N 0.532 120.961 120.400 0.048 0.000 2.293 2512 K HA 0.471 4.890 4.320 0.165 0.000 0.267 2512 K C -0.901 175.711 176.600 0.020 0.000 1.010 2512 K CA -0.487 55.832 56.287 0.054 0.000 0.875 2512 K CB 1.490 34.026 32.500 0.060 0.000 1.106 2512 K HN 0.255 nan 8.250 nan 0.000 0.450 2513 V N 3.421 123.350 119.914 0.026 0.000 2.417 2513 V HA 0.597 4.816 4.120 0.165 0.000 0.291 2513 V C -0.474 175.558 176.094 -0.103 0.000 1.024 2513 V CA -0.737 61.513 62.300 -0.084 0.000 0.861 2513 V CB 1.074 32.861 31.823 -0.060 0.000 0.985 2513 V HN 0.595 nan 8.190 nan 0.000 0.436 2514 I N 5.626 126.027 120.570 -0.281 0.000 2.378 2514 I HA 0.519 4.788 4.170 0.165 0.000 0.291 2514 I C -1.004 174.877 176.117 -0.393 0.000 0.992 2514 I CA -0.280 60.905 61.300 -0.193 0.000 1.154 2514 I CB 1.767 39.659 38.000 -0.181 0.000 1.315 2514 I HN 0.531 nan 8.210 nan 0.000 0.448 2515 F N 4.909 124.826 119.950 -0.056 0.000 2.402 2515 F HA 0.647 5.271 4.527 0.160 0.000 0.355 2515 F C 0.428 176.091 175.800 -0.229 0.000 1.123 2515 F CA -0.576 57.345 58.000 -0.132 0.000 1.021 2515 F CB 1.598 40.533 39.000 -0.109 0.000 1.160 2515 F HN 0.408 nan 8.300 nan 0.000 0.451 2516 A N 4.079 126.770 122.820 -0.215 0.000 2.318 2516 A HA 0.781 5.200 4.320 0.165 0.000 0.317 2516 A C -1.376 176.010 177.584 -0.331 0.000 1.159 2516 A CA -0.494 51.438 52.037 -0.175 0.000 0.799 2516 A CB 0.284 19.200 19.000 -0.140 0.000 1.194 2516 A HN 0.551 nan 8.150 nan 0.000 0.479 2517 F N 2.257 122.227 119.950 0.033 0.000 2.334 2517 F HA 0.404 5.015 4.527 0.141 0.000 0.367 2517 F C 1.254 177.075 175.800 0.036 0.000 1.115 2517 F CA -0.205 57.804 58.000 0.016 0.000 1.116 2517 F CB 1.540 40.534 39.000 -0.010 0.000 1.230 2517 F HN 0.593 nan 8.300 nan 0.000 0.484 2518 T N 0.187 114.845 114.554 0.172 0.000 2.902 2518 T HA 0.732 5.181 4.350 0.165 0.000 0.280 2518 T C -0.127 174.660 174.700 0.145 0.000 0.992 2518 T CA -0.825 61.365 62.100 0.149 0.000 1.015 2518 T CB 1.713 70.667 68.868 0.143 0.000 1.044 2518 T HN 0.450 nan 8.240 nan 0.000 0.520 2519 V N -0.397 119.575 119.914 0.097 0.000 2.769 2519 V HA 0.550 4.769 4.120 0.165 0.000 0.312 2519 V C 0.090 176.208 176.094 0.041 0.000 1.058 2519 V CA -1.103 61.232 62.300 0.058 0.000 0.952 2519 V CB 0.884 32.706 31.823 -0.002 0.000 1.019 2519 V HN 1.056 nan 8.190 nan 0.000 0.445 2520 Q N -0.175 119.636 119.800 0.018 0.000 2.487 2520 Q HA -0.219 4.220 4.340 0.165 0.000 0.279 2520 Q C 1.159 177.141 176.000 -0.031 0.000 1.228 2520 Q CA 1.058 56.854 55.803 -0.011 0.000 0.873 2520 Q CB -0.993 27.738 28.738 -0.011 0.000 1.260 2520 Q HN 0.981 nan 8.270 nan 0.000 0.471 2521 E N 1.197 121.349 120.200 -0.081 0.000 2.077 2521 E HA -0.200 4.249 4.350 0.165 0.000 0.193 2521 E C 1.162 177.642 176.600 -0.200 0.000 0.989 2521 E CA 1.239 57.526 56.400 -0.187 0.000 0.800 2521 E CB 0.261 29.672 29.700 -0.483 0.000 0.746 2521 E HN 0.452 nan 8.360 nan 0.000 0.452 2522 E N 0.159 120.233 120.200 -0.210 0.000 2.418 2522 E HA -0.071 4.378 4.350 0.165 0.000 0.197 2522 E C 1.411 177.987 176.600 -0.041 0.000 1.026 2522 E CA 0.684 57.019 56.400 -0.109 0.000 0.862 2522 E CB 0.357 30.010 29.700 -0.079 0.000 0.799 2522 E HN 0.218 nan 8.360 nan 0.000 0.518 2523 V N -3.177 116.714 119.914 -0.039 0.000 2.843 2523 V HA 0.654 4.873 4.120 0.165 0.000 0.366 2523 V C 0.712 176.802 176.094 -0.007 0.000 1.283 2523 V CA -0.020 62.269 62.300 -0.018 0.000 1.303 2523 V CB 0.089 31.902 31.823 -0.017 0.000 1.418 2523 V HN 0.130 nan 8.190 nan 0.000 0.598 2524 G N 1.275 110.072 108.800 -0.005 0.000 2.145 2524 G HA2 -0.166 3.893 3.960 0.165 0.000 0.176 2524 G HA3 -0.166 3.893 3.960 0.165 0.000 0.176 2524 G C 0.227 175.139 174.900 0.020 0.000 1.013 2524 G CA -0.259 44.847 45.100 0.009 0.000 0.689 2524 G HN 1.369 nan 8.290 nan 0.000 0.506 2525 L N -2.485 118.748 121.223 0.016 0.000 3.865 2525 L HA -0.278 4.161 4.340 0.165 0.000 0.408 2525 L C 2.087 178.995 176.870 0.064 0.000 1.209 2525 L CA 1.237 56.104 54.840 0.046 0.000 0.940 2525 L CB -1.641 40.460 42.059 0.070 0.000 1.971 2525 L HN 0.258 nan 8.230 nan 0.000 0.899 2526 K N 1.353 121.782 120.400 0.048 0.000 2.063 2526 K HA -0.058 4.362 4.320 0.165 0.000 0.208 2526 K C 2.067 178.730 176.600 0.105 0.000 1.048 2526 K CA 1.770 58.096 56.287 0.064 0.000 0.928 2526 K CB -0.575 31.945 32.500 0.034 0.000 0.713 2526 K HN 0.540 nan 8.250 nan 0.000 0.442 2527 G N 0.255 109.108 108.800 0.088 0.000 2.421 2527 G HA2 -0.253 3.806 3.960 0.165 0.000 0.216 2527 G HA3 -0.253 3.806 3.960 0.165 0.000 0.216 2527 G C 1.653 176.676 174.900 0.205 0.000 1.171 2527 G CA 1.164 46.335 45.100 0.120 0.000 0.775 2527 G HN 0.386 nan 8.290 nan 0.000 0.543 2528 A N 0.766 123.702 122.820 0.194 0.000 1.933 2528 A HA -0.025 4.394 4.320 0.165 0.000 0.218 2528 A C 2.300 180.003 177.584 0.199 0.000 1.175 2528 A CA 1.921 54.120 52.037 0.270 0.000 0.628 2528 A CB -0.321 18.843 19.000 0.273 0.000 0.814 2528 A HN 0.380 nan 8.150 nan 0.000 0.444 2529 K N -1.873 118.603 120.400 0.127 0.000 2.211 2529 K HA -0.062 4.357 4.320 0.165 0.000 0.203 2529 K C 1.691 178.343 176.600 0.087 0.000 1.050 2529 K CA 1.295 57.606 56.287 0.040 0.000 0.945 2529 K CB -0.230 32.296 32.500 0.045 0.000 0.732 2529 K HN 0.569 nan 8.250 nan 0.000 0.451 2530 F N 1.189 121.172 119.950 0.054 0.000 2.187 2530 F HA -0.080 4.545 4.527 0.165 0.000 0.295 2530 F C 1.935 177.858 175.800 0.204 0.000 1.091 2530 F CA 0.472 58.536 58.000 0.106 0.000 1.308 2530 F CB -0.007 39.038 39.000 0.076 0.000 1.030 2530 F HN -0.150 nan 8.300 nan 0.000 0.487 2531 L N 0.640 122.107 121.223 0.407 0.000 2.191 2531 L HA -0.058 4.381 4.340 0.165 0.000 0.212 2531 L C 2.329 179.449 176.870 0.416 0.000 1.103 2531 L CA 1.825 56.933 54.840 0.447 0.000 0.769 2531 L CB -1.064 41.249 42.059 0.424 0.000 0.908 2531 L HN 0.168 nan 8.230 nan 0.000 0.438 2532 A N -0.989 121.845 122.820 0.024 0.000 2.015 2532 A HA -0.133 4.286 4.320 0.165 0.000 0.219 2532 A C 1.885 179.345 177.584 -0.206 0.000 1.163 2532 A CA 1.402 53.160 52.037 -0.464 0.000 0.646 2532 A CB -0.558 17.920 19.000 -0.869 0.000 0.806 2532 A HN 0.551 nan 8.150 nan 0.000 0.448 2533 N N -0.952 117.670 118.700 -0.130 0.000 2.461 2533 N HA -0.002 4.837 4.740 0.165 0.000 0.188 2533 N C 0.357 175.623 175.510 -0.407 0.000 1.134 2533 N CA 0.720 53.602 53.050 -0.280 0.000 0.878 2533 N CB -0.048 38.209 38.487 -0.383 0.000 0.972 2533 N HN 0.707 nan 8.380 nan 0.000 0.456 2534 H N -2.374 116.649 119.070 -0.078 0.000 3.440 2534 H HA 0.268 4.923 4.556 0.166 0.000 0.259 2534 H C -0.630 174.506 175.328 -0.320 0.000 1.120 2534 H CA 0.036 55.990 56.048 -0.156 0.000 1.191 2534 H CB 0.535 30.248 29.762 -0.081 0.000 1.537 2534 H HN 0.020 nan 8.280 nan 0.000 0.547 2535 Y N -0.706 119.726 120.300 0.220 0.000 2.545 2535 Y HA 0.377 5.029 4.550 0.170 0.000 0.348 2535 Y C -1.147 174.962 175.900 0.349 0.000 1.002 2535 Y CA -1.368 56.891 58.100 0.266 0.000 1.039 2535 Y CB 1.828 40.457 38.460 0.281 0.000 1.271 2535 Y HN -0.021 nan 8.280 nan 0.000 0.467 2536 Y N 4.492 124.954 120.300 0.269 0.000 2.512 2536 Y HA 0.401 5.050 4.550 0.164 0.000 0.326 2536 Y C -2.981 172.981 175.900 0.104 0.000 1.008 2536 Y CA -3.448 54.752 58.100 0.167 0.000 1.139 2536 Y CB 0.317 38.811 38.460 0.057 0.000 1.137 2536 Y HN 0.379 nan 8.280 nan 0.000 0.630 2537 P HA 0.158 nan 4.420 nan 0.000 0.274 2537 P C 0.488 177.700 177.300 -0.146 0.000 1.246 2537 P CA 0.021 63.110 63.100 -0.019 0.000 0.795 2537 P CB 1.664 33.313 31.700 -0.084 0.000 1.006 2538 Q N -0.121 119.503 119.800 -0.292 0.000 2.123 2538 Q HA -0.044 4.395 4.340 0.165 0.000 0.196 2538 Q C -0.262 175.344 176.000 -0.656 0.000 0.958 2538 Q CA 1.163 56.647 55.803 -0.532 0.000 0.841 2538 Q CB 0.049 28.355 28.738 -0.719 0.000 0.915 2538 Q HN 0.475 nan 8.270 nan 0.000 0.455 2539 Y N -0.791 119.425 120.300 -0.141 0.000 2.376 2539 Y HA 0.619 5.268 4.550 0.165 0.000 0.340 2539 Y C -0.600 175.098 175.900 -0.338 0.000 0.965 2539 Y CA -1.204 56.755 58.100 -0.234 0.000 1.078 2539 Y CB 1.873 40.234 38.460 -0.165 0.000 1.193 2539 Y HN -0.038 nan 8.280 nan 0.000 0.452 2540 A N 4.215 126.858 122.820 -0.295 0.000 2.311 2540 A HA 0.787 5.206 4.320 0.165 0.000 0.306 2540 A C -1.538 175.766 177.584 -0.467 0.000 1.189 2540 A CA -0.517 51.270 52.037 -0.416 0.000 0.791 2540 A CB 0.041 18.746 19.000 -0.492 0.000 1.172 2540 A HN 0.598 nan 8.150 nan 0.000 0.481 2541 F N 1.549 121.319 119.950 -0.300 0.000 2.450 2541 F HA 0.648 5.275 4.527 0.167 0.000 0.332 2541 F C 0.732 176.475 175.800 -0.096 0.000 1.093 2541 F CA -0.263 57.651 58.000 -0.144 0.000 1.003 2541 F CB 2.256 41.258 39.000 0.003 0.000 1.151 2541 F HN 0.658 nan 8.300 nan 0.000 0.474 2542 A N 4.039 126.929 122.820 0.116 0.000 2.304 2542 A HA 0.729 5.148 4.320 0.165 0.000 0.323 2542 A C -0.872 176.785 177.584 0.122 0.000 1.195 2542 A CA -0.594 51.499 52.037 0.093 0.000 0.826 2542 A CB 0.400 19.443 19.000 0.071 0.000 1.184 2542 A HN 0.561 nan 8.150 nan 0.000 0.496 2543 I N 3.223 123.832 120.570 0.065 0.000 2.307 2543 I HA 0.383 4.652 4.170 0.165 0.000 0.287 2543 I C -0.418 175.668 176.117 -0.052 0.000 1.054 2543 I CA 0.168 61.471 61.300 0.005 0.000 1.218 2543 I CB 0.057 37.980 38.000 -0.129 0.000 1.398 2543 I HN 0.603 nan 8.210 nan 0.000 0.475 2544 D N 3.046 123.525 120.400 0.132 0.000 2.626 2544 D HA 0.426 5.165 4.640 0.165 0.000 0.278 2544 D C -0.482 176.102 176.300 0.472 0.000 1.211 2544 D CA -0.169 53.961 54.000 0.216 0.000 0.903 2544 D CB 2.136 43.073 40.800 0.229 0.000 1.408 2544 D HN 0.357 nan 8.370 nan 0.000 0.454 2545 S N -0.133 115.862 115.700 0.493 0.000 2.589 2545 S HA 0.374 4.943 4.470 0.165 0.000 0.265 2545 S C -0.058 174.723 174.600 0.302 0.000 1.342 2545 S CA -0.504 57.937 58.200 0.401 0.000 1.005 2545 S CB 0.532 63.917 63.200 0.308 0.000 0.909 2545 S HN 0.385 nan 8.310 nan 0.000 0.555 2546 F N 1.106 121.104 119.950 0.080 0.000 2.434 2546 F HA 0.571 5.193 4.527 0.158 0.000 0.355 2546 F C 0.135 175.945 175.800 0.018 0.000 1.115 2546 F CA -0.928 57.104 58.000 0.054 0.000 1.010 2546 F CB 0.441 39.465 39.000 0.039 0.000 1.234 2546 F HN 0.815 nan 8.300 nan 0.000 0.439 2547 A N 5.641 128.302 122.820 -0.265 0.000 2.524 2547 A HA 0.351 4.770 4.320 0.165 0.000 0.250 2547 A C 0.035 177.535 177.584 -0.140 0.000 1.078 2547 A CA -0.011 51.919 52.037 -0.177 0.000 0.761 2547 A CB -0.334 18.544 19.000 -0.203 0.000 1.012 2547 A HN 0.985 nan 8.150 nan 0.000 0.500 2548 C N 2.040 121.331 119.300 -0.014 0.000 2.880 2548 C HA 0.606 5.165 4.460 0.165 0.000 0.387 2548 C C 0.698 175.680 174.990 -0.013 0.000 2.619 2548 C CA -0.532 58.521 59.018 0.059 0.000 1.790 2548 C CB 0.665 28.471 27.740 0.109 0.000 2.560 2548 C HN 0.927 nan 8.230 nan 0.000 0.452 2549 C N 3.090 122.386 119.300 -0.006 0.000 2.596 2549 C HA 0.509 5.068 4.460 0.165 0.000 0.414 2549 C C 0.515 175.515 174.990 0.016 0.000 1.396 2549 C CA 0.146 59.178 59.018 0.023 0.000 1.698 2549 C CB -2.025 25.724 27.740 0.015 0.000 2.572 2549 C HN 0.979 nan 8.230 nan 0.000 0.604 2550 S N 1.796 117.514 115.700 0.030 0.000 2.636 2550 S HA 0.505 5.074 4.470 0.165 0.000 0.268 2550 S C -2.696 171.923 174.600 0.031 0.000 1.159 2550 S CA -0.886 57.329 58.200 0.024 0.000 0.815 2550 S CB 0.919 64.127 63.200 0.013 0.000 1.130 2550 S HN 0.262 nan 8.310 nan 0.000 0.471 2551 P HA -0.053 nan 4.420 nan 0.000 0.218 2551 P C 1.531 178.850 177.300 0.032 0.000 1.146 2551 P CA 0.805 63.921 63.100 0.026 0.000 0.820 2551 P CB -0.035 31.676 31.700 0.019 0.000 0.778 2552 L N -0.362 120.877 121.223 0.028 0.000 2.217 2552 L HA -0.041 4.398 4.340 0.165 0.000 0.211 2552 L C 1.634 178.544 176.870 0.066 0.000 1.107 2552 L CA 2.048 56.907 54.840 0.031 0.000 0.783 2552 L CB -1.312 40.751 42.059 0.006 0.000 0.919 2552 L HN 0.009 nan 8.230 nan 0.000 0.442 2553 T N -3.134 111.473 114.554 0.089 0.000 3.206 2553 T HA 0.494 4.943 4.350 0.165 0.000 0.253 2553 T C 1.183 175.978 174.700 0.159 0.000 1.042 2553 T CA 0.100 62.312 62.100 0.188 0.000 0.931 2553 T CB -0.741 68.284 68.868 0.261 0.000 1.029 2553 T HN 0.623 nan 8.240 nan 0.000 0.564 2554 G N 2.390 111.249 108.800 0.097 0.000 2.634 2554 G HA2 -0.320 3.739 3.960 0.165 0.000 0.309 2554 G HA3 -0.320 3.739 3.960 0.165 0.000 0.309 2554 G C 0.172 175.105 174.900 0.055 0.000 1.265 2554 G CA 0.436 45.577 45.100 0.068 0.000 0.998 2554 G HN 0.470 nan 8.290 nan 0.000 0.551 2555 D N 0.573 120.998 120.400 0.042 0.000 2.325 2555 D HA 0.294 5.033 4.640 0.165 0.000 0.225 2555 D C 1.077 177.385 176.300 0.013 0.000 1.096 2555 D CA 0.125 54.141 54.000 0.026 0.000 0.844 2555 D CB 0.171 40.983 40.800 0.020 0.000 0.925 2555 D HN 0.364 nan 8.370 nan 0.000 0.513 2556 V N 1.520 121.445 119.914 0.018 0.000 2.493 2556 V HA -0.024 4.195 4.120 0.165 0.000 0.292 2556 V C 0.577 176.667 176.094 -0.007 0.000 1.016 2556 V CA 0.367 62.650 62.300 -0.029 0.000 1.097 2556 V CB 0.361 32.142 31.823 -0.070 0.000 0.947 2556 V HN -0.009 nan 8.190 nan 0.000 0.479 2557 K N 5.152 125.528 120.400 -0.039 0.000 2.422 2557 K HA 0.518 4.937 4.320 0.165 0.000 0.251 2557 K C -0.814 175.756 176.600 -0.051 0.000 0.933 2557 K CA -0.949 55.322 56.287 -0.027 0.000 0.798 2557 K CB 1.622 34.108 32.500 -0.024 0.000 1.238 2557 K HN 0.527 nan 8.250 nan 0.000 0.428 2558 L N 3.182 124.400 121.223 -0.008 0.000 2.540 2558 L HA 0.086 4.525 4.340 0.165 0.000 0.276 2558 L C 1.214 177.990 176.870 -0.156 0.000 1.212 2558 L CA 1.514 56.360 54.840 0.010 0.000 0.893 2558 L CB 0.153 42.343 42.059 0.219 0.000 1.138 2558 L HN 1.205 nan 8.230 nan 0.000 0.491 2559 G N 2.703 111.259 108.800 -0.407 0.000 2.176 2559 G HA2 -0.215 3.844 3.960 0.165 0.000 0.232 2559 G HA3 -0.215 3.844 3.960 0.165 0.000 0.232 2559 G C 0.731 175.370 174.900 -0.435 0.000 0.986 2559 G CA -0.327 44.230 45.100 -0.906 0.000 0.643 2559 G HN 0.554 nan 8.290 nan 0.000 0.522 2560 K N 1.083 121.331 120.400 -0.254 0.000 2.493 2560 K HA 0.505 4.924 4.320 0.165 0.000 0.207 2560 K C 1.195 177.695 176.600 -0.166 0.000 1.033 2560 K CA 0.690 56.872 56.287 -0.176 0.000 1.161 2560 K CB 0.240 32.667 32.500 -0.122 0.000 0.873 2560 K HN 1.715 nan 8.250 nan 0.000 0.491 2561 G N 2.387 111.080 108.800 -0.178 0.000 2.655 2561 G HA2 -0.166 3.893 3.960 0.165 0.000 0.680 2561 G HA3 -0.166 3.893 3.960 0.165 0.000 0.680 2561 G C -3.017 171.794 174.900 -0.148 0.000 1.302 2561 G CA -1.133 43.875 45.100 -0.154 0.000 0.872 2561 G HN -0.071 nan 8.290 nan 0.000 0.540 2562 P HA 0.452 nan 4.420 nan 0.000 0.271 2562 P C -0.179 177.036 177.300 -0.141 0.000 1.233 2562 P CA -0.116 62.913 63.100 -0.119 0.000 0.789 2562 P CB 0.978 32.621 31.700 -0.095 0.000 0.951 2563 V N 2.039 121.869 119.914 -0.141 0.000 2.588 2563 V HA 0.339 4.558 4.120 0.165 0.000 0.304 2563 V C 0.545 176.588 176.094 -0.085 0.000 1.042 2563 V CA -0.821 61.356 62.300 -0.204 0.000 0.877 2563 V CB 1.688 33.191 31.823 -0.533 0.000 0.996 2563 V HN 0.372 nan 8.190 nan 0.000 0.425 2564 I N 4.185 124.757 120.570 0.002 0.000 2.452 2564 I HA 0.267 4.536 4.170 0.165 0.000 0.287 2564 I C 0.924 177.100 176.117 0.100 0.000 1.079 2564 I CA 0.053 61.408 61.300 0.091 0.000 1.387 2564 I CB 0.446 38.555 38.000 0.182 0.000 1.404 2564 I HN 0.569 nan 8.210 nan 0.000 0.522 2565 R N 6.365 126.964 120.500 0.164 0.000 2.419 2565 R HA 0.287 4.726 4.340 0.165 0.000 0.305 2565 R C 0.793 177.261 176.300 0.281 0.000 1.242 2565 R CA -0.073 56.224 56.100 0.328 0.000 1.105 2565 R CB 0.590 31.100 30.300 0.351 0.000 1.116 2565 R HN 0.860 nan 8.270 nan 0.000 0.523 2566 A N 3.884 126.886 122.820 0.304 0.000 1.929 2566 A HA 0.071 4.490 4.320 0.165 0.000 0.216 2566 A C 0.396 178.216 177.584 0.394 0.000 1.176 2566 A CA 0.782 52.996 52.037 0.296 0.000 0.628 2566 A CB 0.587 19.695 19.000 0.180 0.000 0.816 2566 A HN 0.398 nan 8.150 nan 0.000 0.444 2567 V N 0.844 120.956 119.914 0.331 0.000 2.851 2567 V HA 0.491 4.710 4.120 0.165 0.000 0.307 2567 V C -1.513 174.682 176.094 0.167 0.000 1.129 2567 V CA -0.454 61.958 62.300 0.186 0.000 0.932 2567 V CB 2.160 34.036 31.823 0.089 0.000 1.024 2567 V HN 0.654 nan 8.190 nan 0.000 0.426 2568 D N 1.639 122.087 120.400 0.080 0.000 2.958 2568 D HA 0.307 5.046 4.640 0.165 0.000 0.306 2568 D C 0.359 176.648 176.300 -0.018 0.000 1.226 2568 D CA -0.673 53.354 54.000 0.046 0.000 1.032 2568 D CB 0.670 41.533 40.800 0.107 0.000 1.400 2568 D HN 0.216 nan 8.370 nan 0.000 0.587 2569 N N -1.028 117.662 118.700 -0.017 0.000 2.381 2569 N HA -0.071 4.768 4.740 0.165 0.000 0.182 2569 N C 1.403 176.889 175.510 -0.040 0.000 1.025 2569 N CA 1.356 54.389 53.050 -0.027 0.000 0.888 2569 N CB 0.035 38.511 38.487 -0.019 0.000 0.965 2569 N HN 0.434 nan 8.380 nan 0.000 0.438 2570 S N -0.857 114.819 115.700 -0.041 0.000 2.458 2570 S HA 0.411 4.980 4.470 0.165 0.000 0.223 2570 S C 0.524 175.035 174.600 -0.149 0.000 1.019 2570 S CA 0.024 58.192 58.200 -0.053 0.000 0.937 2570 S CB 0.425 63.631 63.200 0.010 0.000 0.788 2570 S HN 0.202 nan 8.310 nan 0.000 0.511 2571 A N 0.250 122.899 122.820 -0.285 0.000 2.594 2571 A HA 0.650 5.069 4.320 0.165 0.000 0.296 2571 A C -1.288 175.979 177.584 -0.529 0.000 1.061 2571 A CA -0.833 50.908 52.037 -0.494 0.000 0.689 2571 A CB 0.615 19.118 19.000 -0.829 0.000 1.280 2571 A HN 0.327 nan 8.150 nan 0.000 0.406 2572 I N 3.133 123.504 120.570 -0.332 0.000 2.281 2572 I HA 0.232 4.501 4.170 0.165 0.000 0.293 2572 I C -0.370 175.628 176.117 -0.198 0.000 1.085 2572 I CA -0.064 61.116 61.300 -0.200 0.000 1.257 2572 I CB -0.066 37.882 38.000 -0.086 0.000 1.430 2572 I HN 0.653 nan 8.210 nan 0.000 0.489 2573 Y N 3.473 123.792 120.300 0.031 0.000 2.258 2573 Y HA 0.074 4.725 4.550 0.169 0.000 0.345 2573 Y C 1.400 177.309 175.900 0.015 0.000 1.303 2573 Y CA -0.191 57.923 58.100 0.023 0.000 1.537 2573 Y CB 0.386 38.864 38.460 0.030 0.000 1.383 2573 Y HN 0.382 nan 8.280 nan 0.000 0.606 2574 S N 1.047 116.862 115.700 0.191 0.000 2.481 2574 S HA 0.039 4.609 4.470 0.165 0.000 0.282 2574 S C 1.047 175.699 174.600 0.087 0.000 1.243 2574 S CA -0.339 57.922 58.200 0.101 0.000 1.078 2574 S CB 0.259 63.505 63.200 0.078 0.000 0.916 2574 S HN 0.528 nan 8.310 nan 0.000 0.495 2575 R N 2.157 122.695 120.500 0.064 0.000 2.075 2575 R HA -0.112 4.327 4.340 0.165 0.000 0.232 2575 R C 1.752 178.074 176.300 0.038 0.000 1.126 2575 R CA 1.683 57.810 56.100 0.044 0.000 0.963 2575 R CB -0.246 30.067 30.300 0.022 0.000 0.858 2575 R HN 0.691 nan 8.270 nan 0.000 0.435 2576 D N 0.809 121.235 120.400 0.043 0.000 2.144 2576 D HA -0.184 4.555 4.640 0.165 0.000 0.199 2576 D C 1.771 178.104 176.300 0.056 0.000 0.984 2576 D CA 0.734 54.763 54.000 0.048 0.000 0.834 2576 D CB -0.426 40.408 40.800 0.057 0.000 0.955 2576 D HN 0.114 nan 8.370 nan 0.000 0.465 2577 L N 0.502 121.761 121.223 0.059 0.000 2.141 2577 L HA 0.111 4.550 4.340 0.165 0.000 0.209 2577 L C 2.270 179.171 176.870 0.052 0.000 1.094 2577 L CA 1.596 56.452 54.840 0.026 0.000 0.763 2577 L CB -0.914 41.141 42.059 -0.008 0.000 0.908 2577 L HN 0.111 nan 8.230 nan 0.000 0.437 2578 A N -0.593 122.271 122.820 0.074 0.000 1.930 2578 A HA -0.217 4.202 4.320 0.165 0.000 0.217 2578 A C 2.504 180.172 177.584 0.141 0.000 1.175 2578 A CA 1.634 53.740 52.037 0.116 0.000 0.627 2578 A CB -0.529 18.528 19.000 0.095 0.000 0.815 2578 A HN 0.460 nan 8.150 nan 0.000 0.443 2579 R N 0.154 120.703 120.500 0.082 0.000 2.092 2579 R HA -0.022 4.417 4.340 0.165 0.000 0.231 2579 R C 0.349 176.735 176.300 0.143 0.000 1.119 2579 R CA 0.994 57.149 56.100 0.091 0.000 0.970 2579 R CB -0.115 30.198 30.300 0.023 0.000 0.864 2579 R HN 0.481 nan 8.270 nan 0.000 0.440 2580 K N -0.080 120.375 120.400 0.092 0.000 2.180 2580 K HA 0.140 4.559 4.320 0.165 0.000 0.251 2580 K C 0.830 177.495 176.600 0.108 0.000 1.014 2580 K CA 0.208 56.536 56.287 0.069 0.000 0.913 2580 K CB 1.250 33.745 32.500 -0.009 0.000 1.008 2580 K HN -0.100 nan 8.250 nan 0.000 0.490 2581 V N -1.294 118.673 119.914 0.087 0.000 0.535 2581 V HA -0.362 3.857 4.120 0.165 0.000 0.092 2581 V C 1.511 177.670 176.094 0.108 0.000 2.149 2581 V CA 2.162 64.521 62.300 0.099 0.000 3.532 2581 V CB -1.503 30.426 31.823 0.176 0.000 0.823 2581 V HN 1.042 nan 8.190 nan 0.000 0.859 2582 W N 1.181 122.484 121.300 0.005 0.000 2.333 2582 W HA -0.211 4.549 4.660 0.167 0.000 0.316 2582 W C 2.721 179.235 176.519 -0.008 0.000 1.215 2582 W CA 3.214 60.556 57.345 -0.004 0.000 1.278 2582 W CB -0.474 28.986 29.460 0.000 0.000 1.154 2582 W HN 0.541 nan 8.180 nan 0.000 0.486 2583 S N 0.637 116.498 115.700 0.269 0.000 2.359 2583 S HA -0.233 4.336 4.470 0.165 0.000 0.224 2583 S C 1.910 176.532 174.600 0.035 0.000 1.035 2583 S CA 2.001 60.292 58.200 0.151 0.000 1.018 2583 S CB -0.632 62.644 63.200 0.127 0.000 0.876 2583 S HN 0.266 nan 8.310 nan 0.000 0.448 2584 I N 1.433 122.016 120.570 0.022 0.000 2.454 2584 I HA -0.162 4.107 4.170 0.165 0.000 0.254 2584 I C 2.625 178.704 176.117 -0.062 0.000 1.156 2584 I CA 1.035 62.327 61.300 -0.013 0.000 1.433 2584 I CB -0.396 37.600 38.000 -0.007 0.000 1.082 2584 I HN 0.398 nan 8.210 nan 0.000 0.432 2585 A N 0.125 122.873 122.820 -0.120 0.000 1.898 2585 A HA -0.172 4.247 4.320 0.165 0.000 0.214 2585 A C 2.221 179.683 177.584 -0.203 0.000 1.183 2585 A CA 1.249 53.170 52.037 -0.193 0.000 0.622 2585 A CB -0.406 18.413 19.000 -0.302 0.000 0.824 2585 A HN 0.343 nan 8.150 nan 0.000 0.444 2586 E N 0.185 120.252 120.200 -0.221 0.000 2.038 2586 E HA -0.200 4.249 4.350 0.165 0.000 0.195 2586 E C 1.860 178.411 176.600 -0.081 0.000 1.000 2586 E CA 1.510 57.818 56.400 -0.153 0.000 0.803 2586 E CB 0.015 29.664 29.700 -0.084 0.000 0.750 2586 E HN 0.310 nan 8.360 nan 0.000 0.448 2587 K N 0.500 120.869 120.400 -0.052 0.000 2.152 2587 K HA -0.113 4.306 4.320 0.165 0.000 0.206 2587 K C 1.222 177.796 176.600 -0.042 0.000 1.048 2587 K CA 1.038 57.306 56.287 -0.031 0.000 0.933 2587 K CB -0.338 32.154 32.500 -0.014 0.000 0.721 2587 K HN 0.266 nan 8.250 nan 0.000 0.447 2588 N N 0.045 118.710 118.700 -0.058 0.000 2.270 2588 N HA 0.020 4.859 4.740 0.165 0.000 0.198 2588 N C 0.507 175.975 175.510 -0.071 0.000 1.117 2588 N CA 0.595 53.610 53.050 -0.057 0.000 0.845 2588 N CB 0.799 39.255 38.487 -0.053 0.000 0.980 2588 N HN 0.313 nan 8.380 nan 0.000 0.486 2589 G N 1.737 110.488 108.800 -0.082 0.000 2.168 2589 G HA2 -0.287 3.772 3.960 0.165 0.000 0.257 2589 G HA3 -0.287 3.772 3.960 0.165 0.000 0.257 2589 G C 0.096 174.933 174.900 -0.106 0.000 0.997 2589 G CA 0.025 45.074 45.100 -0.086 0.000 0.708 2589 G HN 0.350 nan 8.290 nan 0.000 0.520 2590 I N 1.482 121.973 120.570 -0.132 0.000 2.352 2590 I HA 0.286 4.555 4.170 0.165 0.000 0.290 2590 I C 0.963 176.962 176.117 -0.196 0.000 1.036 2590 I CA -0.659 60.553 61.300 -0.146 0.000 1.336 2590 I CB 0.839 38.751 38.000 -0.146 0.000 1.407 2590 I HN 0.442 nan 8.210 nan 0.000 0.497 2591 E N 7.651 127.747 120.200 -0.174 0.000 2.360 2591 E HA 0.464 4.913 4.350 0.165 0.000 0.269 2591 E C -0.780 175.672 176.600 -0.247 0.000 1.022 2591 E CA -0.364 55.915 56.400 -0.202 0.000 0.887 2591 E CB 1.951 31.561 29.700 -0.150 0.000 0.990 2591 E HN 0.598 nan 8.360 nan 0.000 0.426 2592 I N 1.072 121.440 120.570 -0.337 0.000 2.913 2592 I HA 0.235 4.504 4.170 0.165 0.000 0.302 2592 I C -1.431 174.497 176.117 -0.315 0.000 1.246 2592 I CA -0.743 60.329 61.300 -0.380 0.000 1.010 2592 I CB 2.164 39.812 38.000 -0.586 0.000 1.259 2592 I HN 0.736 nan 8.210 nan 0.000 0.434 2593 Q N 5.138 124.850 119.800 -0.146 0.000 2.528 2593 Q HA 0.671 5.110 4.340 0.165 0.000 0.289 2593 Q C -1.477 174.619 176.000 0.160 0.000 1.091 2593 Q CA -0.815 55.007 55.803 0.032 0.000 0.797 2593 Q CB 3.528 32.214 28.738 -0.088 0.000 1.466 2593 Q HN 0.617 nan 8.270 nan 0.000 0.436 2594 I N -0.519 120.156 120.570 0.174 0.000 2.722 2594 I HA 0.813 5.082 4.170 0.165 0.000 0.295 2594 I C -1.199 174.928 176.117 0.017 0.000 1.161 2594 I CA -0.310 61.058 61.300 0.113 0.000 1.032 2594 I CB 2.094 40.197 38.000 0.172 0.000 1.244 2594 I HN 0.746 nan 8.210 nan 0.000 0.421 2595 G N 4.936 113.764 108.800 0.046 0.000 2.548 2595 G HA2 0.557 4.616 3.960 0.165 0.000 0.301 2595 G HA3 0.557 4.616 3.960 0.165 0.000 0.301 2595 G C -2.072 173.059 174.900 0.386 0.000 1.349 2595 G CA -0.516 44.693 45.100 0.182 0.000 0.792 2595 G HN 0.469 nan 8.290 nan 0.000 0.481 2596 V N -0.312 119.829 119.914 0.378 0.000 2.667 2596 V HA 0.886 5.105 4.120 0.165 0.000 0.308 2596 V C 0.415 176.582 176.094 0.122 0.000 1.048 2596 V CA -0.178 62.270 62.300 0.246 0.000 0.928 2596 V CB 1.528 33.427 31.823 0.127 0.000 1.004 2596 V HN 1.095 nan 8.190 nan 0.000 0.444 2597 T N 1.668 116.169 114.554 -0.089 0.000 2.648 2597 T HA 0.680 5.129 4.350 0.165 0.000 0.304 2597 T C -0.242 174.348 174.700 -0.183 0.000 1.312 2597 T CA 0.231 62.121 62.100 -0.349 0.000 1.023 2597 T CB 1.694 69.909 68.868 -1.089 0.000 1.612 2597 T HN 1.030 nan 8.240 nan 0.000 0.487 2598 G N -1.080 107.603 108.800 -0.194 0.000 2.552 2598 G HA2 0.666 4.725 3.960 0.165 0.000 0.324 2598 G HA3 0.666 4.725 3.960 0.165 0.000 0.324 2598 G C 0.420 175.268 174.900 -0.088 0.000 1.217 2598 G CA 0.175 45.212 45.100 -0.106 0.000 0.989 2598 G HN 1.588 nan 8.290 nan 0.000 0.490 2599 G N -1.707 107.065 108.800 -0.047 0.000 2.627 2599 G HA2 0.466 4.525 3.960 0.165 0.000 0.214 2599 G HA3 0.466 4.525 3.960 0.165 0.000 0.214 2599 G C 0.136 175.051 174.900 0.024 0.000 1.331 2599 G CA 0.001 45.088 45.100 -0.021 0.000 0.891 2599 G HN 1.945 nan 8.290 nan 0.000 0.539 2600 G N -1.739 107.093 108.800 0.054 0.000 2.818 2600 G HA2 1.115 5.174 3.960 0.165 0.000 0.286 2600 G HA3 1.115 5.174 3.960 0.165 0.000 0.286 2600 G C -0.164 174.823 174.900 0.146 0.000 1.364 2600 G CA 0.949 46.109 45.100 0.101 0.000 0.938 2600 G HN 2.218 nan 8.290 nan 0.000 0.490 2601 T N -2.979 111.698 114.554 0.204 0.000 2.841 2601 T HA 0.407 4.856 4.350 0.165 0.000 0.296 2601 T C -0.016 174.795 174.700 0.184 0.000 1.166 2601 T CA -0.453 61.762 62.100 0.191 0.000 1.007 2601 T CB 2.081 71.064 68.868 0.193 0.000 1.253 2601 T HN 0.193 nan 8.240 nan 0.000 0.511 2602 D N 0.692 121.189 120.400 0.163 0.000 2.190 2602 D HA -0.089 4.650 4.640 0.165 0.000 0.200 2602 D C 2.333 178.771 176.300 0.229 0.000 0.992 2602 D CA 1.768 55.875 54.000 0.180 0.000 0.854 2602 D CB -0.625 40.270 40.800 0.158 0.000 0.936 2602 D HN 0.777 nan 8.370 nan 0.000 0.462 2603 A N 0.412 123.344 122.820 0.186 0.000 1.986 2603 A HA -0.226 4.193 4.320 0.165 0.000 0.220 2603 A C 2.339 180.121 177.584 0.330 0.000 1.171 2603 A CA 2.005 54.155 52.037 0.188 0.000 0.640 2603 A CB -0.676 18.353 19.000 0.049 0.000 0.811 2603 A HN 0.217 nan 8.150 nan 0.000 0.451 2604 S N -0.773 115.130 115.700 0.339 0.000 2.419 2604 S HA 0.021 4.590 4.470 0.165 0.000 0.233 2604 S C 1.978 176.681 174.600 0.172 0.000 1.016 2604 S CA 1.190 59.535 58.200 0.242 0.000 0.974 2604 S CB -0.380 62.918 63.200 0.164 0.000 0.786 2604 S HN 0.818 nan 8.310 nan 0.000 0.492 2605 A N -0.572 122.370 122.820 0.205 0.000 2.119 2605 A HA 0.191 4.610 4.320 0.165 0.000 0.217 2605 A C 1.145 178.718 177.584 -0.018 0.000 1.153 2605 A CA 0.683 52.774 52.037 0.090 0.000 0.692 2605 A CB -0.459 18.593 19.000 0.087 0.000 0.799 2605 A HN 0.574 nan 8.150 nan 0.000 0.458 2606 F N -0.820 119.161 119.950 0.052 0.000 2.647 2606 F HA 0.210 4.837 4.527 0.167 0.000 0.300 2606 F C 1.872 177.694 175.800 0.036 0.000 1.106 2606 F CA 0.019 58.043 58.000 0.040 0.000 1.313 2606 F CB 0.109 39.133 39.000 0.040 0.000 1.007 2606 F HN 0.335 nan 8.300 nan 0.000 0.536 2607 Q N 0.900 120.795 119.800 0.157 0.000 2.297 2607 Q HA -0.150 4.289 4.340 0.165 0.000 0.204 2607 Q C 1.277 177.309 176.000 0.054 0.000 0.962 2607 Q CA 1.626 57.492 55.803 0.104 0.000 0.879 2607 Q CB 0.055 28.829 28.738 0.060 0.000 0.947 2607 Q HN 0.419 nan 8.270 nan 0.000 0.462 2608 D N -0.539 119.872 120.400 0.018 0.000 2.328 2608 D HA -0.096 4.643 4.640 0.165 0.000 0.221 2608 D C 1.252 177.544 176.300 -0.014 0.000 1.072 2608 D CA 0.140 54.132 54.000 -0.014 0.000 0.850 2608 D CB 0.149 40.918 40.800 -0.052 0.000 0.922 2608 D HN 0.382 nan 8.370 nan 0.000 0.516 2609 R N -1.210 119.313 120.500 0.038 0.000 2.688 2609 R HA 0.180 4.619 4.340 0.165 0.000 0.236 2609 R C -0.348 176.094 176.300 0.237 0.000 0.981 2609 R CA -0.126 56.024 56.100 0.083 0.000 1.139 2609 R CB 0.236 30.491 30.300 -0.075 0.000 1.677 2609 R HN -0.008 nan 8.270 nan 0.000 0.554 2610 S N 0.777 116.599 115.700 0.205 0.000 2.709 2610 S HA 0.517 5.086 4.470 0.165 0.000 0.302 2610 S C -0.977 173.667 174.600 0.073 0.000 1.127 2610 S CA -0.863 57.425 58.200 0.146 0.000 0.905 2610 S CB 2.345 65.651 63.200 0.177 0.000 1.151 2610 S HN 0.067 nan 8.310 nan 0.000 0.510 2611 K N 2.376 122.780 120.400 0.008 0.000 2.234 2611 K HA 0.410 4.829 4.320 0.165 0.000 0.282 2611 K C -0.231 176.368 176.600 -0.001 0.000 1.039 2611 K CA -0.186 56.123 56.287 0.036 0.000 0.928 2611 K CB 0.859 33.412 32.500 0.088 0.000 1.039 2611 K HN 0.776 nan 8.250 nan 0.000 0.470 2612 T N 0.348 114.915 114.554 0.021 0.000 2.887 2612 T HA 0.675 5.124 4.350 0.165 0.000 0.288 2612 T C -0.777 173.879 174.700 -0.072 0.000 1.021 2612 T CA -0.965 61.120 62.100 -0.026 0.000 1.000 2612 T CB 1.259 70.233 68.868 0.177 0.000 1.034 2612 T HN 0.343 nan 8.240 nan 0.000 0.467 2613 L N 1.439 122.442 121.223 -0.366 0.000 2.466 2613 L HA 0.829 5.268 4.340 0.165 0.000 0.258 2613 L C -1.078 175.506 176.870 -0.477 0.000 0.973 2613 L CA -0.674 53.910 54.840 -0.427 0.000 0.826 2613 L CB 2.005 43.879 42.059 -0.310 0.000 1.372 2613 L HN 1.149 nan 8.230 nan 0.000 0.409 2614 A N 3.744 126.162 122.820 -0.671 0.000 2.317 2614 A HA 0.848 5.267 4.320 0.165 0.000 0.327 2614 A C -1.416 176.158 177.584 -0.016 0.000 1.178 2614 A CA -0.412 51.440 52.037 -0.309 0.000 0.817 2614 A CB 0.917 19.669 19.000 -0.414 0.000 1.189 2614 A HN 0.934 nan 8.150 nan 0.000 0.489 2615 L N -0.213 121.084 121.223 0.123 0.000 2.409 2615 L HA 0.984 5.423 4.340 0.165 0.000 0.262 2615 L C -0.334 176.635 176.870 0.166 0.000 0.992 2615 L CA -0.514 54.409 54.840 0.138 0.000 0.817 2615 L CB 1.489 43.630 42.059 0.138 0.000 1.350 2615 L HN 0.526 nan 8.230 nan 0.000 0.411 2616 S N -0.136 115.661 115.700 0.162 0.000 2.688 2616 S HA 0.870 5.439 4.470 0.165 0.000 0.275 2616 S C -0.758 173.899 174.600 0.095 0.000 1.175 2616 S CA -0.327 58.024 58.200 0.251 0.000 0.818 2616 S CB 1.670 65.046 63.200 0.294 0.000 1.157 2616 S HN 1.313 nan 8.310 nan 0.000 0.482 2617 V N -0.759 119.122 119.914 -0.055 0.000 2.630 2617 V HA 0.757 4.976 4.120 0.165 0.000 0.305 2617 V C -2.918 173.112 176.094 -0.106 0.000 1.046 2617 V CA -2.812 59.367 62.300 -0.200 0.000 0.934 2617 V CB 1.137 32.712 31.823 -0.412 0.000 1.003 2617 V HN 0.700 nan 8.190 nan 0.000 0.451 2618 P HA 0.371 nan 4.420 nan 0.000 0.271 2618 P C -0.720 176.584 177.300 0.007 0.000 1.220 2618 P CA 0.285 63.425 63.100 0.066 0.000 0.768 2618 P CB 0.658 32.371 31.700 0.022 0.000 0.848 2619 I N 3.246 123.838 120.570 0.037 0.000 2.436 2619 I HA 0.312 4.581 4.170 0.165 0.000 0.289 2619 I C 0.692 176.765 176.117 -0.074 0.000 1.010 2619 I CA -0.975 60.309 61.300 -0.027 0.000 1.098 2619 I CB 2.184 40.181 38.000 -0.004 0.000 1.266 2619 I HN 0.126 nan 8.210 nan 0.000 0.434 2620 K N 5.096 125.376 120.400 -0.201 0.000 2.144 2620 K HA 0.343 4.762 4.320 0.165 0.000 0.270 2620 K C -0.940 175.419 176.600 -0.401 0.000 1.005 2620 K CA -0.438 55.548 56.287 -0.502 0.000 0.932 2620 K CB 0.551 32.454 32.500 -0.994 0.000 1.021 2620 K HN 0.435 nan 8.250 nan 0.000 0.462 2621 Y N -1.169 119.143 120.300 0.020 0.000 3.477 2621 Y HA -0.218 4.429 4.550 0.163 0.000 0.216 2621 Y C -0.197 175.739 175.900 0.061 0.000 1.296 2621 Y CA -0.526 57.591 58.100 0.028 0.000 1.535 2621 Y CB -2.436 36.032 38.460 0.014 0.000 1.482 2621 Y HN 0.457 nan 8.280 nan 0.000 0.597 2622 L N 1.938 123.241 121.223 0.134 0.000 2.485 2622 L HA 0.189 4.628 4.340 0.165 0.000 0.275 2622 L C 1.416 178.438 176.870 0.252 0.000 1.207 2622 L CA 0.633 55.564 54.840 0.151 0.000 0.855 2622 L CB -0.103 41.975 42.059 0.032 0.000 1.114 2622 L HN 0.531 nan 8.230 nan 0.000 0.485 2623 H N 1.188 120.342 119.070 0.139 0.000 2.886 2623 H HA -0.155 4.497 4.556 0.160 0.000 0.294 2623 H C -0.009 175.412 175.328 0.155 0.000 1.246 2623 H CA 0.451 56.589 56.048 0.150 0.000 1.142 2623 H CB -1.190 28.648 29.762 0.127 0.000 1.358 2623 H HN 0.755 nan 8.280 nan 0.000 0.406 2624 S N -0.507 115.336 115.700 0.237 0.000 2.811 2624 S HA 0.355 4.924 4.470 0.165 0.000 0.311 2624 S C 0.909 175.576 174.600 0.112 0.000 1.152 2624 S CA -0.363 57.919 58.200 0.136 0.000 0.864 2624 S CB 2.202 65.463 63.200 0.101 0.000 1.226 2624 S HN 0.408 nan 8.310 nan 0.000 0.541 2625 E N -0.210 119.999 120.200 0.016 0.000 2.465 2625 E HA 0.120 4.569 4.350 0.165 0.000 0.191 2625 E C 1.008 177.641 176.600 0.055 0.000 1.053 2625 E CA 0.429 56.855 56.400 0.043 0.000 0.869 2625 E CB -0.050 29.638 29.700 -0.020 0.000 0.977 2625 E HN 0.582 nan 8.360 nan 0.000 0.483 2626 V N -2.137 117.810 119.914 0.054 0.000 3.319 2626 V HA 0.206 4.425 4.120 0.165 0.000 0.317 2626 V C 0.394 176.605 176.094 0.196 0.000 1.411 2626 V CA -0.624 61.712 62.300 0.060 0.000 1.112 2626 V CB -0.443 31.343 31.823 -0.062 0.000 1.031 2626 V HN 0.016 nan 8.190 nan 0.000 0.448 2627 E N 1.717 122.035 120.200 0.197 0.000 2.975 2627 E HA 0.040 4.489 4.350 0.165 0.000 0.269 2627 E C -0.214 176.462 176.600 0.127 0.000 0.905 2627 E CA 1.020 57.533 56.400 0.188 0.000 0.967 2627 E CB 0.260 30.061 29.700 0.167 0.000 0.925 2627 E HN 0.628 nan 8.360 nan 0.000 0.507 2628 T N 4.017 118.617 114.554 0.077 0.000 2.921 2628 T HA 0.482 4.931 4.350 0.165 0.000 0.297 2628 T C -1.029 173.680 174.700 0.016 0.000 1.013 2628 T CA -0.796 61.328 62.100 0.040 0.000 0.990 2628 T CB 0.674 69.568 68.868 0.043 0.000 1.023 2628 T HN 0.364 nan 8.240 nan 0.000 0.447 2629 L N 0.056 121.302 121.223 0.039 0.000 2.309 2629 L HA 0.715 5.154 4.340 0.165 0.000 0.261 2629 L C -0.543 176.401 176.870 0.122 0.000 1.021 2629 L CA -0.912 53.944 54.840 0.027 0.000 0.823 2629 L CB 1.310 43.296 42.059 -0.123 0.000 1.366 2629 L HN 0.629 nan 8.230 nan 0.000 0.423 2630 H N 1.602 120.656 119.070 -0.027 0.000 2.519 2630 H HA 0.400 5.054 4.556 0.164 0.000 0.316 2630 H C 0.586 175.813 175.328 -0.169 0.000 1.065 2630 H CA -0.232 55.712 56.048 -0.173 0.000 1.264 2630 H CB 1.718 31.351 29.762 -0.215 0.000 1.413 2630 H HN 0.868 nan 8.280 nan 0.000 0.465 2631 L N 3.667 124.672 121.223 -0.364 0.000 2.081 2631 L HA -0.268 4.171 4.340 0.165 0.000 0.212 2631 L C 1.792 178.622 176.870 -0.066 0.000 1.080 2631 L CA 1.092 55.822 54.840 -0.184 0.000 0.754 2631 L CB -0.225 41.710 42.059 -0.208 0.000 0.893 2631 L HN 0.604 nan 8.230 nan 0.000 0.433 2632 N N -0.408 118.308 118.700 0.026 0.000 2.459 2632 N HA -0.135 4.704 4.740 0.165 0.000 0.181 2632 N C 1.249 176.796 175.510 0.062 0.000 1.046 2632 N CA 0.908 54.014 53.050 0.095 0.000 0.904 2632 N CB -0.244 38.338 38.487 0.158 0.000 0.964 2632 N HN 0.350 nan 8.380 nan 0.000 0.444 2633 D N 0.471 120.926 120.400 0.091 0.000 2.149 2633 D HA -0.068 4.671 4.640 0.165 0.000 0.201 2633 D C 1.981 178.254 176.300 -0.045 0.000 0.972 2633 D CA 0.206 54.188 54.000 -0.030 0.000 0.835 2633 D CB -0.147 40.615 40.800 -0.063 0.000 0.966 2633 D HN 0.115 nan 8.370 nan 0.000 0.476 2634 L N 1.346 122.549 121.223 -0.034 0.000 2.027 2634 L HA -0.095 4.344 4.340 0.165 0.000 0.206 2634 L C 2.055 178.919 176.870 -0.010 0.000 1.074 2634 L CA 1.782 56.613 54.840 -0.014 0.000 0.745 2634 L CB -0.652 41.409 42.059 0.003 0.000 0.898 2634 L HN -0.029 nan 8.230 nan 0.000 0.433 2635 E N -0.527 119.661 120.200 -0.021 0.000 2.110 2635 E HA -0.262 4.187 4.350 0.165 0.000 0.193 2635 E C 1.993 178.564 176.600 -0.048 0.000 0.988 2635 E CA 1.388 57.768 56.400 -0.032 0.000 0.804 2635 E CB 0.012 29.694 29.700 -0.031 0.000 0.745 2635 E HN 0.528 nan 8.360 nan 0.000 0.458 2636 K N 0.040 120.407 120.400 -0.054 0.000 2.228 2636 K HA -0.078 4.341 4.320 0.165 0.000 0.202 2636 K C 2.092 178.640 176.600 -0.086 0.000 1.051 2636 K CA 0.447 56.690 56.287 -0.075 0.000 0.960 2636 K CB -0.014 32.434 32.500 -0.087 0.000 0.743 2636 K HN 0.117 nan 8.250 nan 0.000 0.458 2637 L N 0.849 122.031 121.223 -0.068 0.000 2.093 2637 L HA -0.131 4.308 4.340 0.165 0.000 0.208 2637 L C 1.870 178.674 176.870 -0.109 0.000 1.085 2637 L CA 1.478 56.276 54.840 -0.069 0.000 0.755 2637 L CB -0.220 41.841 42.059 0.003 0.000 0.904 2637 L HN -0.127 nan 8.230 nan 0.000 0.435 2638 V N -0.101 119.756 119.914 -0.095 0.000 2.270 2638 V HA -0.267 3.952 4.120 0.165 0.000 0.245 2638 V C 2.605 178.614 176.094 -0.141 0.000 1.043 2638 V CA 1.969 64.191 62.300 -0.129 0.000 1.014 2638 V CB -0.661 31.102 31.823 -0.100 0.000 0.645 2638 V HN 0.444 nan 8.190 nan 0.000 0.447 2639 K N -0.311 120.025 120.400 -0.107 0.000 2.074 2639 K HA -0.253 4.166 4.320 0.165 0.000 0.209 2639 K C 2.118 178.652 176.600 -0.110 0.000 1.048 2639 K CA 1.751 57.982 56.287 -0.094 0.000 0.926 2639 K CB -0.526 31.929 32.500 -0.076 0.000 0.713 2639 K HN 0.279 nan 8.250 nan 0.000 0.444 2640 L N 1.438 122.582 121.223 -0.132 0.000 2.131 2640 L HA -0.104 4.335 4.340 0.165 0.000 0.210 2640 L C 1.945 178.689 176.870 -0.209 0.000 1.092 2640 L CA 1.369 56.119 54.840 -0.150 0.000 0.759 2640 L CB -0.175 41.793 42.059 -0.151 0.000 0.903 2640 L HN 0.116 nan 8.230 nan 0.000 0.435 2641 I N -0.745 119.653 120.570 -0.285 0.000 2.315 2641 I HA -0.246 4.023 4.170 0.165 0.000 0.248 2641 I C 2.268 178.175 176.117 -0.350 0.000 1.117 2641 I CA 1.087 62.102 61.300 -0.475 0.000 1.404 2641 I CB -0.211 37.421 38.000 -0.613 0.000 1.071 2641 I HN 0.332 nan 8.210 nan 0.000 0.419 2642 E N 0.969 121.025 120.200 -0.239 0.000 2.006 2642 E HA -0.198 4.251 4.350 0.165 0.000 0.192 2642 E C 2.405 178.921 176.600 -0.140 0.000 0.993 2642 E CA 1.219 57.486 56.400 -0.221 0.000 0.808 2642 E CB -0.328 29.294 29.700 -0.130 0.000 0.764 2642 E HN 0.456 nan 8.360 nan 0.000 0.449 2643 A N 1.478 124.298 122.820 0.000 0.000 1.954 2643 A HA -0.270 4.149 4.320 0.165 0.000 0.222 2643 A C 2.228 179.833 177.584 0.035 0.000 1.199 2643 A CA 1.678 53.760 52.037 0.076 0.000 0.657 2643 A CB -0.993 18.009 19.000 0.004 0.000 0.823 2643 A HN 0.195 nan 8.150 nan 0.000 0.463 2644 L N -1.419 119.769 121.223 -0.058 0.000 2.093 2644 L HA -0.165 4.274 4.340 0.165 0.000 0.208 2644 L C 3.112 179.980 176.870 -0.002 0.000 1.085 2644 L CA 0.921 55.733 54.840 -0.046 0.000 0.755 2644 L CB -0.543 41.449 42.059 -0.113 0.000 0.904 2644 L HN 0.482 nan 8.230 nan 0.000 0.435 2645 A N -0.183 122.604 122.820 -0.055 0.000 1.933 2645 A HA -0.204 4.215 4.320 0.165 0.000 0.218 2645 A C 2.054 179.585 177.584 -0.089 0.000 1.175 2645 A CA 1.527 53.505 52.037 -0.097 0.000 0.628 2645 A CB -0.736 18.110 19.000 -0.257 0.000 0.814 2645 A HN 0.368 nan 8.150 nan 0.000 0.444 2646 F N -0.711 119.262 119.950 0.039 0.000 2.335 2646 F HA -0.001 4.626 4.527 0.167 0.000 0.296 2646 F C 2.309 178.123 175.800 0.024 0.000 1.091 2646 F CA 1.232 59.250 58.000 0.029 0.000 1.399 2646 F CB 0.186 39.189 39.000 0.005 0.000 1.067 2646 F HN 0.265 nan 8.300 nan 0.000 0.520 2647 E N -0.409 119.904 120.200 0.189 0.000 2.514 2647 E HA 0.141 4.590 4.350 0.165 0.000 0.215 2647 E C 0.796 177.435 176.600 0.066 0.000 0.946 2647 E CA -0.174 56.294 56.400 0.113 0.000 1.038 2647 E CB 0.739 30.490 29.700 0.084 0.000 1.069 2647 E HN 0.223 nan 8.360 nan 0.000 0.503 2648 L N 0.000 121.248 121.223 0.042 0.000 2.949 2648 L HA 0.000 4.439 4.340 0.165 0.000 0.249 2648 L CA 0.000 54.828 54.840 -0.019 0.000 0.813 2648 L CB 0.000 42.013 42.059 -0.076 0.000 0.961 2648 L HN 0.000 nan 8.230 nan 0.000 0.502