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 1mv5_1_C DATA FIRST_RESID 2342 DATA SEQUENCE MLSARHVDFA YDDSEQILRD ISFEAQPNSI IAFAGPSGGG KSTIFSLLER DATA SEQUENCE FYQPTAGEIT IDGQPIDNIS LENWRSQIGF VSQDSAIMAG TIRENLTYGL DATA SEQUENCE EGDYTDEDLW QVLDLAFARS FVENMPDQLN TEVGERGVKI SGGQRQRLAI DATA SEQUENCE ARAFLRNPKI LMLDEATASL DSESESMVQK ALDSLMKGRT TLVIAHRLST DATA SEQUENCE IVDADKIYFI EKGQITGSGK HNELVATHPL YAKYVSEQLT VG 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 2342 M HA 0.000 nan 4.480 nan 0.000 0.227 2342 M C 0.000 176.341 176.300 0.068 0.000 1.140 2342 M CA 0.000 55.336 55.300 0.060 0.000 0.988 2342 M CB 0.000 32.628 32.600 0.046 0.000 1.302 2343 L N 5.008 126.289 121.223 0.096 0.000 2.282 2343 L HA 0.586 4.926 4.340 -0.000 0.000 0.287 2343 L C -0.618 176.300 176.870 0.081 0.000 1.075 2343 L CA 0.272 55.180 54.840 0.112 0.000 0.839 2343 L CB 0.765 42.933 42.059 0.181 0.000 1.219 2343 L HN 0.866 nan 8.230 nan 0.000 0.434 2344 S N 3.406 119.092 115.700 -0.023 0.000 2.473 2344 S HA 0.790 5.259 4.470 -0.000 0.000 0.307 2344 S C -0.302 174.122 174.600 -0.294 0.000 1.094 2344 S CA -0.761 57.365 58.200 -0.123 0.000 1.070 2344 S CB 2.110 65.262 63.200 -0.079 0.000 1.019 2344 S HN 0.689 nan 8.310 nan 0.000 0.480 2345 A N 3.277 125.745 122.820 -0.587 0.000 2.328 2345 A HA 0.598 4.918 4.320 -0.000 0.000 0.318 2345 A C 0.029 177.323 177.584 -0.483 0.000 1.347 2345 A CA -0.750 50.876 52.037 -0.686 0.000 0.842 2345 A CB 0.406 18.550 19.000 -1.427 0.000 1.148 2345 A HN 0.846 nan 8.150 nan 0.000 0.499 2346 R N 2.455 122.779 120.500 -0.294 0.000 2.207 2346 R HA 0.299 4.639 4.340 -0.000 0.000 0.334 2346 R C -0.479 175.733 176.300 -0.145 0.000 1.013 2346 R CA -0.383 55.569 56.100 -0.246 0.000 0.858 2346 R CB 0.026 30.238 30.300 -0.145 0.000 1.094 2346 R HN 0.885 nan 8.270 nan 0.000 0.457 2347 H N 0.611 119.635 119.070 -0.077 0.000 2.791 2347 H HA -0.148 4.408 4.556 -0.000 0.000 0.302 2347 H C -0.479 174.823 175.328 -0.042 0.000 1.198 2347 H CA 0.660 56.682 56.048 -0.043 0.000 1.145 2347 H CB -1.622 28.123 29.762 -0.029 0.000 1.385 2347 H HN 0.266 nan 8.280 nan 0.000 0.409 2348 V N 1.177 121.100 119.914 0.015 0.000 2.585 2348 V HA 0.041 4.161 4.120 -0.000 0.000 0.296 2348 V C 0.866 176.989 176.094 0.048 0.000 1.035 2348 V CA 0.558 62.864 62.300 0.010 0.000 1.084 2348 V CB 1.140 32.931 31.823 -0.053 0.000 0.953 2348 V HN 0.295 nan 8.190 nan 0.000 0.483 2349 D N 3.637 124.072 120.400 0.060 0.000 2.481 2349 D HA 0.739 5.379 4.640 -0.000 0.000 0.244 2349 D C -1.029 175.348 176.300 0.128 0.000 1.057 2349 D CA -0.195 53.843 54.000 0.064 0.000 0.848 2349 D CB 2.281 43.099 40.800 0.028 0.000 1.388 2349 D HN 0.404 nan 8.370 nan 0.000 0.475 2350 F N 1.306 121.200 119.950 -0.093 0.000 2.665 2350 F HA 0.700 5.227 4.527 -0.000 0.000 0.308 2350 F C -1.777 173.921 175.800 -0.171 0.000 1.112 2350 F CA -0.622 57.287 58.000 -0.153 0.000 0.972 2350 F CB 1.525 40.396 39.000 -0.215 0.000 1.295 2350 F HN 0.438 nan 8.300 nan 0.000 0.440 2351 A N 4.061 126.136 122.820 -1.242 0.000 2.488 2351 A HA 0.587 4.907 4.320 -0.000 0.000 0.298 2351 A C -1.634 175.195 177.584 -1.258 0.000 1.044 2351 A CA -0.457 51.038 52.037 -0.903 0.000 0.693 2351 A CB 0.646 19.391 19.000 -0.424 0.000 1.272 2351 A HN 0.827 nan 8.150 nan 0.000 0.402 2352 Y N 0.732 120.610 120.300 -0.703 0.000 2.301 2352 Y HA 0.126 4.676 4.550 -0.000 0.000 0.295 2352 Y C 0.643 176.398 175.900 -0.242 0.000 1.126 2352 Y CA 0.950 58.789 58.100 -0.435 0.000 1.154 2352 Y CB 0.366 38.700 38.460 -0.211 0.000 1.075 2352 Y HN 0.600 nan 8.280 nan 0.000 0.534 2353 D N -1.074 119.329 120.400 0.004 0.000 2.621 2353 D HA 0.131 4.771 4.640 -0.000 0.000 0.255 2353 D C 0.212 176.477 176.300 -0.058 0.000 1.122 2353 D CA -0.334 53.654 54.000 -0.019 0.000 1.096 2353 D CB 0.715 41.513 40.800 -0.004 0.000 1.282 2353 D HN -0.049 nan 8.370 nan 0.000 0.619 2354 D N -0.700 119.675 120.400 -0.041 0.000 2.249 2354 D HA -0.098 4.542 4.640 -0.000 0.000 0.205 2354 D C 1.453 177.731 176.300 -0.037 0.000 0.962 2354 D CA 0.662 54.636 54.000 -0.044 0.000 0.860 2354 D CB -0.184 40.597 40.800 -0.031 0.000 0.955 2354 D HN 0.276 nan 8.370 nan 0.000 0.505 2355 S N -0.179 115.505 115.700 -0.027 0.000 2.805 2355 S HA -0.005 4.465 4.470 -0.000 0.000 0.230 2355 S C 0.367 174.955 174.600 -0.021 0.000 0.968 2355 S CA 0.094 58.281 58.200 -0.021 0.000 0.976 2355 S CB -0.274 62.916 63.200 -0.017 0.000 0.787 2355 S HN 0.278 nan 8.310 nan 0.000 0.533 2356 E N -0.897 119.286 120.200 -0.029 0.000 2.532 2356 E HA 0.111 4.461 4.350 -0.000 0.000 0.289 2356 E C -1.870 174.704 176.600 -0.044 0.000 1.165 2356 E CA -0.401 55.984 56.400 -0.025 0.000 0.926 2356 E CB 0.567 30.262 29.700 -0.008 0.000 1.164 2356 E HN 0.335 nan 8.360 nan 0.000 0.436 2357 Q N 4.336 124.108 119.800 -0.046 0.000 2.293 2357 Q HA 0.354 4.694 4.340 -0.000 0.000 0.261 2357 Q C 0.362 176.337 176.000 -0.042 0.000 0.960 2357 Q CA -0.500 55.259 55.803 -0.072 0.000 0.882 2357 Q CB 0.969 29.671 28.738 -0.061 0.000 1.275 2357 Q HN 0.576 nan 8.270 nan 0.000 0.445 2358 I N 3.201 123.741 120.570 -0.050 0.000 2.235 2358 I HA -0.008 4.162 4.170 -0.000 0.000 0.241 2358 I C 0.615 176.746 176.117 0.023 0.000 1.085 2358 I CA 1.067 62.379 61.300 0.019 0.000 1.378 2358 I CB -0.560 37.490 38.000 0.083 0.000 1.076 2358 I HN 0.594 nan 8.210 nan 0.000 0.415 2359 L N 0.504 121.746 121.223 0.033 0.000 2.342 2359 L HA 0.515 4.855 4.340 -0.000 0.000 0.271 2359 L C -0.286 176.600 176.870 0.027 0.000 1.008 2359 L CA -0.595 54.266 54.840 0.035 0.000 0.818 2359 L CB 2.190 44.287 42.059 0.063 0.000 1.296 2359 L HN 0.011 nan 8.230 nan 0.000 0.427 2360 R N 0.796 121.312 120.500 0.027 0.000 2.515 2360 R HA 0.197 4.537 4.340 -0.000 0.000 0.291 2360 R C -1.069 175.263 176.300 0.054 0.000 1.046 2360 R CA -0.777 55.341 56.100 0.030 0.000 0.914 2360 R CB 1.434 31.743 30.300 0.015 0.000 1.191 2360 R HN 0.644 nan 8.270 nan 0.000 0.435 2361 D N 2.219 122.662 120.400 0.072 0.000 2.706 2361 D HA -0.219 4.421 4.640 -0.000 0.000 0.230 2361 D C -0.708 175.673 176.300 0.136 0.000 1.184 2361 D CA 0.777 54.858 54.000 0.135 0.000 0.628 2361 D CB -0.426 40.459 40.800 0.142 0.000 1.019 2361 D HN 0.447 nan 8.370 nan 0.000 0.415 2362 I N 1.030 121.649 120.570 0.081 0.000 2.396 2362 I HA 0.090 4.260 4.170 -0.000 0.000 0.289 2362 I C 0.333 176.435 176.117 -0.025 0.000 1.056 2362 I CA 0.087 61.427 61.300 0.065 0.000 1.365 2362 I CB 0.865 38.916 38.000 0.085 0.000 1.407 2362 I HN 0.003 nan 8.210 nan 0.000 0.509 2363 S N 7.284 122.977 115.700 -0.011 0.000 2.521 2363 S HA 0.784 5.254 4.470 -0.000 0.000 0.295 2363 S C -0.694 173.941 174.600 0.059 0.000 1.098 2363 S CA -0.622 57.500 58.200 -0.130 0.000 0.999 2363 S CB 1.626 64.687 63.200 -0.232 0.000 1.034 2363 S HN 0.517 nan 8.310 nan 0.000 0.483 2364 F N -0.524 119.369 119.950 -0.094 0.000 2.713 2364 F HA 0.758 5.285 4.527 -0.000 0.000 0.311 2364 F C -1.254 174.513 175.800 -0.054 0.000 1.141 2364 F CA -1.028 56.885 58.000 -0.145 0.000 0.939 2364 F CB 1.210 39.878 39.000 -0.553 0.000 1.325 2364 F HN 0.393 nan 8.300 nan 0.000 0.453 2365 E N 0.979 121.407 120.200 0.380 0.000 2.292 2365 E HA 0.682 5.032 4.350 -0.000 0.000 0.272 2365 E C -1.540 175.238 176.600 0.297 0.000 0.881 2365 E CA -1.432 55.132 56.400 0.273 0.000 0.754 2365 E CB 2.436 32.244 29.700 0.179 0.000 1.201 2365 E HN 0.905 nan 8.360 nan 0.000 0.425 2366 A N 3.553 126.518 122.820 0.242 0.000 2.311 2366 A HA 0.337 4.657 4.320 -0.000 0.000 0.306 2366 A C -0.553 177.101 177.584 0.117 0.000 1.189 2366 A CA -0.824 51.315 52.037 0.171 0.000 0.791 2366 A CB 0.899 20.006 19.000 0.177 0.000 1.172 2366 A HN 0.504 nan 8.150 nan 0.000 0.481 2367 Q N 2.015 121.867 119.800 0.088 0.000 2.215 2367 Q HA 0.603 4.943 4.340 -0.000 0.000 0.256 2367 Q C -2.870 173.157 176.000 0.045 0.000 0.972 2367 Q CA -2.297 53.544 55.803 0.063 0.000 0.889 2367 Q CB 0.724 29.495 28.738 0.055 0.000 1.281 2367 Q HN 0.318 nan 8.270 nan 0.000 0.456 2368 P HA 0.023 nan 4.420 nan 0.000 0.269 2368 P C -0.481 176.831 177.300 0.020 0.000 1.209 2368 P CA 0.146 63.261 63.100 0.025 0.000 0.776 2368 P CB 0.301 32.016 31.700 0.025 0.000 0.876 2369 N N -1.528 117.180 118.700 0.015 0.000 2.708 2369 N HA -0.141 4.599 4.740 -0.000 0.000 0.251 2369 N C -0.595 174.921 175.510 0.010 0.000 1.123 2369 N CA 1.153 54.211 53.050 0.013 0.000 0.739 2369 N CB -1.540 36.957 38.487 0.016 0.000 1.113 2369 N HN 0.325 nan 8.380 nan 0.000 0.561 2370 S N 0.077 115.783 115.700 0.010 0.000 2.600 2370 S HA 0.753 5.223 4.470 -0.000 0.000 0.300 2370 S C 0.308 174.909 174.600 0.002 0.000 1.087 2370 S CA -0.689 57.516 58.200 0.008 0.000 0.965 2370 S CB 2.354 65.564 63.200 0.016 0.000 1.089 2370 S HN 0.167 nan 8.310 nan 0.000 0.496 2371 I N 2.862 123.429 120.570 -0.006 0.000 2.411 2371 I HA 0.439 4.609 4.170 -0.000 0.000 0.284 2371 I C -0.490 175.609 176.117 -0.030 0.000 1.012 2371 I CA -0.550 60.741 61.300 -0.016 0.000 1.119 2371 I CB 1.062 39.052 38.000 -0.016 0.000 1.261 2371 I HN 0.579 nan 8.210 nan 0.000 0.448 2372 I N 4.046 124.587 120.570 -0.047 0.000 2.359 2372 I HA 0.869 5.039 4.170 -0.000 0.000 0.294 2372 I C -0.289 175.694 176.117 -0.222 0.000 0.987 2372 I CA -0.137 61.097 61.300 -0.109 0.000 1.225 2372 I CB 1.644 39.602 38.000 -0.071 0.000 1.366 2372 I HN 0.585 nan 8.210 nan 0.000 0.466 2373 A N 6.256 128.920 122.820 -0.260 0.000 2.337 2373 A HA 0.826 5.145 4.320 -0.000 0.000 0.331 2373 A C -1.333 175.986 177.584 -0.443 0.000 1.137 2373 A CA -0.545 51.347 52.037 -0.242 0.000 0.807 2373 A CB 0.901 19.845 19.000 -0.092 0.000 1.250 2373 A HN 0.739 nan 8.150 nan 0.000 0.468 2374 F N 0.793 120.713 119.950 -0.048 0.000 2.553 2374 F HA 0.605 5.132 4.527 -0.000 0.000 0.335 2374 F C 0.583 176.279 175.800 -0.173 0.000 1.148 2374 F CA -0.116 57.813 58.000 -0.119 0.000 0.963 2374 F CB 1.933 40.770 39.000 -0.271 0.000 1.217 2374 F HN 0.799 nan 8.300 nan 0.000 0.441 2375 A N 2.203 125.031 122.820 0.013 0.000 2.392 2375 A HA 1.025 5.345 4.320 -0.000 0.000 0.283 2375 A C 0.095 177.453 177.584 -0.377 0.000 1.197 2375 A CA -0.449 51.508 52.037 -0.134 0.000 0.895 2375 A CB 1.312 20.305 19.000 -0.012 0.000 1.400 2375 A HN 1.383 nan 8.150 nan 0.000 0.461 2376 G N -1.637 106.547 108.800 -1.027 0.000 2.406 2376 G HA2 0.317 4.277 3.960 -0.000 0.000 0.680 2376 G HA3 0.317 4.277 3.960 -0.000 0.000 0.680 2376 G C -3.477 170.939 174.900 -0.808 0.000 1.338 2376 G CA -0.568 43.885 45.100 -1.078 0.000 0.941 2376 G HN 0.647 nan 8.290 nan 0.000 0.633 2377 P HA 0.338 nan 4.420 nan 0.000 0.270 2377 P C 0.361 177.642 177.300 -0.033 0.000 1.227 2377 P CA 0.028 63.115 63.100 -0.022 0.000 0.788 2377 P CB 0.647 32.349 31.700 0.003 0.000 0.926 2378 S N 0.551 116.289 115.700 0.063 0.000 2.488 2378 S HA 0.414 4.884 4.470 -0.000 0.000 0.278 2378 S C 1.096 175.701 174.600 0.009 0.000 1.259 2378 S CA 0.866 59.097 58.200 0.051 0.000 1.061 2378 S CB -1.523 61.731 63.200 0.090 0.000 0.910 2378 S HN 0.801 nan 8.310 nan 0.000 0.491 2379 G N 3.398 112.189 108.800 -0.014 0.000 2.318 2379 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.172 2379 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.172 2379 G C 0.915 175.788 174.900 -0.045 0.000 1.002 2379 G CA 0.175 45.265 45.100 -0.017 0.000 0.697 2379 G HN 1.129 nan 8.290 nan 0.000 0.483 2380 G N 0.298 109.043 108.800 -0.092 0.000 2.443 2380 G HA2 0.427 4.387 3.960 -0.000 0.000 0.219 2380 G HA3 0.427 4.387 3.960 -0.000 0.000 0.219 2380 G C 1.543 176.382 174.900 -0.101 0.000 1.131 2380 G CA 2.071 47.093 45.100 -0.131 0.000 0.775 2380 G HN 2.016 nan 8.290 nan 0.000 0.547 2381 G N -0.520 108.229 108.800 -0.085 0.000 2.145 2381 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.145 2381 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.145 2381 G C 0.879 175.681 174.900 -0.164 0.000 1.017 2381 G CA 0.518 45.578 45.100 -0.068 0.000 0.682 2381 G HN 0.487 nan 8.290 nan 0.000 0.504 2382 K N 0.383 120.650 120.400 -0.221 0.000 2.103 2382 K HA 0.045 4.365 4.320 -0.000 0.000 0.204 2382 K C 2.454 178.771 176.600 -0.471 0.000 1.052 2382 K CA 1.543 57.587 56.287 -0.404 0.000 0.945 2382 K CB -0.088 32.202 32.500 -0.350 0.000 0.722 2382 K HN 0.308 nan 8.250 nan 0.000 0.443 2383 S N 0.307 115.872 115.700 -0.225 0.000 2.436 2383 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 2383 S C 1.840 176.440 174.600 -0.001 0.000 1.014 2383 S CA 1.105 59.243 58.200 -0.103 0.000 0.950 2383 S CB -0.046 63.185 63.200 0.053 0.000 0.784 2383 S HN 0.301 nan 8.310 nan 0.000 0.504 2384 T N 2.808 117.361 114.554 -0.002 0.000 2.812 2384 T HA 0.114 4.464 4.350 -0.000 0.000 0.264 2384 T C 1.734 176.383 174.700 -0.086 0.000 1.042 2384 T CA 0.836 62.953 62.100 0.028 0.000 1.140 2384 T CB -0.339 68.566 68.868 0.062 0.000 0.870 2384 T HN 0.317 nan 8.240 nan 0.000 0.445 2385 I N 0.197 120.680 120.570 -0.145 0.000 2.226 2385 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 2385 I C 2.109 178.261 176.117 0.058 0.000 1.100 2385 I CA 1.493 62.726 61.300 -0.111 0.000 1.374 2385 I CB -0.433 37.394 38.000 -0.290 0.000 1.057 2385 I HN 0.226 nan 8.210 nan 0.000 0.413 2386 F N 0.614 120.417 119.950 -0.245 0.000 2.171 2386 F HA -0.227 4.300 4.527 -0.000 0.000 0.300 2386 F C 2.767 178.422 175.800 -0.241 0.000 1.090 2386 F CA 0.796 58.647 58.000 -0.248 0.000 1.293 2386 F CB -0.143 38.671 39.000 -0.309 0.000 1.013 2386 F HN 0.029 nan 8.300 nan 0.000 0.486 2387 S N 0.452 116.156 115.700 0.007 0.000 2.399 2387 S HA -0.163 4.307 4.470 -0.000 0.000 0.231 2387 S C 1.744 176.267 174.600 -0.128 0.000 1.022 2387 S CA 0.857 58.974 58.200 -0.139 0.000 0.983 2387 S CB -0.325 62.995 63.200 0.201 0.000 0.803 2387 S HN 0.146 nan 8.310 nan 0.000 0.480 2388 L N 1.011 122.181 121.223 -0.089 0.000 2.156 2388 L HA 0.099 4.439 4.340 -0.000 0.000 0.208 2388 L C 1.997 178.850 176.870 -0.028 0.000 1.095 2388 L CA 1.169 55.940 54.840 -0.116 0.000 0.770 2388 L CB -0.508 41.417 42.059 -0.223 0.000 0.914 2388 L HN 0.282 nan 8.230 nan 0.000 0.439 2389 L N -1.281 119.951 121.223 0.015 0.000 2.156 2389 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 2389 L C 2.140 179.142 176.870 0.220 0.000 1.095 2389 L CA 0.884 55.803 54.840 0.132 0.000 0.770 2389 L CB -0.356 41.746 42.059 0.071 0.000 0.914 2389 L HN 0.260 nan 8.230 nan 0.000 0.439 2390 E N 0.118 120.282 120.200 -0.060 0.000 2.478 2390 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 2390 E C 0.371 177.016 176.600 0.075 0.000 1.046 2390 E CA -0.058 56.236 56.400 -0.176 0.000 0.870 2390 E CB 0.187 29.413 29.700 -0.790 0.000 0.818 2390 E HN 0.206 nan 8.360 nan 0.000 0.527 2391 R N -1.994 118.586 120.500 0.134 0.000 3.951 2391 R HA -0.217 4.123 4.340 -0.000 0.000 0.352 2391 R C 0.639 177.072 176.300 0.223 0.000 1.178 2391 R CA 0.517 56.722 56.100 0.176 0.000 0.949 2391 R CB -2.295 28.145 30.300 0.234 0.000 1.452 2391 R HN 0.336 nan 8.270 nan 0.000 0.540 2392 F N -0.986 118.934 119.950 -0.049 0.000 2.269 2392 F HA -0.125 4.402 4.527 0.000 0.000 0.301 2392 F C 0.945 176.452 175.800 -0.488 0.000 1.082 2392 F CA 0.694 58.534 58.000 -0.268 0.000 1.360 2392 F CB 0.052 38.855 39.000 -0.328 0.000 1.041 2392 F HN 0.045 nan 8.300 nan 0.000 0.512 2393 Y N -1.333 119.051 120.300 0.140 0.000 2.638 2393 Y HA 0.358 4.908 4.550 -0.000 0.000 0.339 2393 Y C -0.367 175.478 175.900 -0.092 0.000 1.084 2393 Y CA -1.488 56.612 58.100 0.001 0.000 1.068 2393 Y CB 0.936 39.270 38.460 -0.210 0.000 1.294 2393 Y HN -0.354 nan 8.280 nan 0.000 0.480 2394 Q N 1.400 121.305 119.800 0.175 0.000 2.266 2394 Q HA 0.438 4.778 4.340 -0.000 0.000 0.261 2394 Q C -2.751 173.308 176.000 0.099 0.000 0.985 2394 Q CA -2.407 53.448 55.803 0.086 0.000 0.873 2394 Q CB 1.670 30.475 28.738 0.112 0.000 1.306 2394 Q HN 0.271 nan 8.270 nan 0.000 0.447 2395 P HA 0.053 nan 4.420 nan 0.000 0.276 2395 P C 0.622 178.010 177.300 0.147 0.000 1.243 2395 P CA 0.082 63.237 63.100 0.091 0.000 0.768 2395 P CB 0.641 32.342 31.700 0.002 0.000 0.856 2396 T N 0.396 115.081 114.554 0.218 0.000 2.995 2396 T HA -0.003 4.347 4.350 -0.000 0.000 0.269 2396 T C 1.170 175.897 174.700 0.044 0.000 1.091 2396 T CA 1.287 63.446 62.100 0.098 0.000 1.128 2396 T CB -0.233 68.640 68.868 0.008 0.000 0.891 2396 T HN 0.343 nan 8.240 nan 0.000 0.492 2397 A N 0.752 123.599 122.820 0.046 0.000 1.852 2397 A HA 0.729 5.049 4.320 -0.000 0.000 0.205 2397 A C 1.707 179.303 177.584 0.020 0.000 1.757 2397 A CA 0.420 52.470 52.037 0.022 0.000 1.088 2397 A CB -0.630 18.378 19.000 0.013 0.000 1.079 2397 A HN 0.565 nan 8.150 nan 0.000 0.524 2398 G N -0.141 108.675 108.800 0.026 0.000 2.394 2398 G HA2 0.362 4.322 3.960 -0.000 0.000 0.256 2398 G HA3 0.362 4.322 3.960 -0.000 0.000 0.256 2398 G C -0.066 174.822 174.900 -0.021 0.000 1.504 2398 G CA 0.605 45.713 45.100 0.013 0.000 1.051 2398 G HN 0.511 nan 8.290 nan 0.000 0.550 2399 E N -1.109 119.056 120.200 -0.059 0.000 2.454 2399 E HA 0.237 4.587 4.350 -0.000 0.000 0.315 2399 E C -1.016 175.497 176.600 -0.145 0.000 0.907 2399 E CA -0.428 55.919 56.400 -0.089 0.000 0.797 2399 E CB 0.887 30.549 29.700 -0.065 0.000 1.396 2399 E HN 0.356 nan 8.360 nan 0.000 0.389 2400 I N 2.798 123.267 120.570 -0.168 0.000 2.440 2400 I HA 0.387 4.557 4.170 -0.000 0.000 0.294 2400 I C 0.205 176.200 176.117 -0.202 0.000 0.995 2400 I CA -0.258 60.918 61.300 -0.207 0.000 1.306 2400 I CB 1.838 39.720 38.000 -0.197 0.000 1.407 2400 I HN 0.381 nan 8.210 nan 0.000 0.501 2401 T N 6.382 120.828 114.554 -0.180 0.000 2.903 2401 T HA 0.584 4.934 4.350 -0.000 0.000 0.299 2401 T C -0.878 173.757 174.700 -0.108 0.000 1.093 2401 T CA -0.486 61.523 62.100 -0.153 0.000 1.002 2401 T CB 2.294 71.096 68.868 -0.111 0.000 1.127 2401 T HN 0.443 nan 8.240 nan 0.000 0.488 2402 I N 1.803 122.317 120.570 -0.094 0.000 2.512 2402 I HA 0.287 4.457 4.170 -0.000 0.000 0.287 2402 I C -0.469 175.655 176.117 0.011 0.000 1.069 2402 I CA -0.321 60.980 61.300 0.002 0.000 1.056 2402 I CB 1.100 39.149 38.000 0.081 0.000 1.229 2402 I HN 0.731 nan 8.210 nan 0.000 0.429 2403 D N 5.338 125.755 120.400 0.029 0.000 2.955 2403 D HA -0.227 4.413 4.640 -0.000 0.000 0.226 2403 D C 0.967 177.269 176.300 0.004 0.000 1.178 2403 D CA 1.601 55.614 54.000 0.023 0.000 0.808 2403 D CB -0.596 40.226 40.800 0.036 0.000 1.099 2403 D HN 1.213 nan 8.370 nan 0.000 0.421 2404 G N 0.207 108.999 108.800 -0.013 0.000 2.238 2404 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 2404 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 2404 G C 0.095 174.973 174.900 -0.037 0.000 0.996 2404 G CA 0.472 45.559 45.100 -0.022 0.000 0.632 2404 G HN 0.518 nan 8.290 nan 0.000 0.503 2405 Q N 1.291 121.064 119.800 -0.044 0.000 2.271 2405 Q HA 0.558 4.898 4.340 -0.000 0.000 0.258 2405 Q C -2.713 173.219 176.000 -0.113 0.000 0.936 2405 Q CA -2.170 53.595 55.803 -0.063 0.000 0.909 2405 Q CB 1.956 30.667 28.738 -0.045 0.000 1.253 2405 Q HN 0.155 nan 8.270 nan 0.000 0.440 2406 P HA -0.013 nan 4.420 nan 0.000 0.268 2406 P C 0.356 177.498 177.300 -0.264 0.000 1.204 2406 P CA 0.251 63.246 63.100 -0.174 0.000 0.768 2406 P CB 0.429 32.052 31.700 -0.128 0.000 0.842 2407 I N -0.301 120.023 120.570 -0.410 0.000 2.830 2407 I HA -0.119 4.051 4.170 -0.000 0.000 0.263 2407 I C 0.602 176.423 176.117 -0.493 0.000 1.230 2407 I CA 1.385 62.266 61.300 -0.698 0.000 1.480 2407 I CB -0.367 36.865 38.000 -1.280 0.000 1.095 2407 I HN 0.109 nan 8.210 nan 0.000 0.455 2408 D N 1.504 121.727 120.400 -0.296 0.000 2.312 2408 D HA -0.099 4.541 4.640 -0.000 0.000 0.211 2408 D C 1.558 177.780 176.300 -0.130 0.000 0.964 2408 D CA 0.892 54.783 54.000 -0.181 0.000 0.877 2408 D CB -0.215 40.513 40.800 -0.120 0.000 0.924 2408 D HN 0.640 nan 8.370 nan 0.000 0.515 2409 N N 0.429 119.046 118.700 -0.138 0.000 2.182 2409 N HA 0.013 4.753 4.740 -0.000 0.000 0.186 2409 N C 1.968 177.439 175.510 -0.064 0.000 1.036 2409 N CA 0.175 53.173 53.050 -0.086 0.000 0.850 2409 N CB 0.179 38.619 38.487 -0.078 0.000 1.010 2409 N HN -0.012 nan 8.380 nan 0.000 0.432 2410 I N 1.554 122.075 120.570 -0.081 0.000 2.356 2410 I HA -0.349 3.821 4.170 -0.000 0.000 0.259 2410 I C 0.330 176.464 176.117 0.029 0.000 1.096 2410 I CA 0.843 62.132 61.300 -0.017 0.000 1.389 2410 I CB -0.918 37.075 38.000 -0.012 0.000 1.070 2410 I HN 0.309 nan 8.210 nan 0.000 0.445 2411 S N -1.200 114.508 115.700 0.013 0.000 2.968 2411 S HA -0.133 4.337 4.470 -0.000 0.000 0.857 2411 S C 0.432 175.086 174.600 0.090 0.000 0.949 2411 S CA -0.068 58.154 58.200 0.038 0.000 1.383 2411 S CB -0.875 62.346 63.200 0.035 0.000 0.988 2411 S HN 0.270 nan 8.310 nan 0.000 0.236 2412 L N 2.538 123.812 121.223 0.084 0.000 2.082 2412 L HA -0.192 4.148 4.340 -0.000 0.000 0.223 2412 L C 2.658 179.612 176.870 0.139 0.000 1.086 2412 L CA 2.915 57.829 54.840 0.123 0.000 0.793 2412 L CB -0.811 41.297 42.059 0.081 0.000 0.896 2412 L HN 0.867 nan 8.230 nan 0.000 0.441 2413 E N -0.434 119.821 120.200 0.091 0.000 2.031 2413 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 2413 E C 2.025 178.672 176.600 0.078 0.000 0.994 2413 E CA 1.416 57.856 56.400 0.065 0.000 0.800 2413 E CB -0.720 29.002 29.700 0.037 0.000 0.752 2413 E HN 0.629 nan 8.360 nan 0.000 0.447 2414 N N 0.433 119.194 118.700 0.103 0.000 2.223 2414 N HA -0.168 4.572 4.740 -0.000 0.000 0.185 2414 N C 1.631 177.245 175.510 0.174 0.000 1.016 2414 N CA 0.709 53.828 53.050 0.115 0.000 0.863 2414 N CB -0.323 38.236 38.487 0.119 0.000 0.983 2414 N HN 0.391 nan 8.380 nan 0.000 0.429 2415 W N 2.262 123.560 121.300 -0.003 0.000 2.408 2415 W HA -0.045 4.615 4.660 -0.000 0.000 0.311 2415 W C 1.621 178.136 176.519 -0.006 0.000 1.190 2415 W CA 0.571 57.912 57.345 -0.007 0.000 1.321 2415 W CB -0.022 29.433 29.460 -0.008 0.000 1.143 2415 W HN 0.017 nan 8.180 nan 0.000 0.501 2416 R N 0.499 120.978 120.500 -0.036 0.000 2.293 2416 R HA -0.119 4.221 4.340 -0.000 0.000 0.219 2416 R C 2.124 178.332 176.300 -0.153 0.000 1.091 2416 R CA 1.514 57.533 56.100 -0.134 0.000 1.004 2416 R CB -0.334 29.966 30.300 -0.001 0.000 0.865 2416 R HN 0.174 nan 8.270 nan 0.000 0.469 2417 S N -0.580 115.049 115.700 -0.119 0.000 2.492 2417 S HA 0.012 4.482 4.470 -0.000 0.000 0.218 2417 S C 1.693 176.212 174.600 -0.135 0.000 1.016 2417 S CA -0.144 57.999 58.200 -0.095 0.000 0.916 2417 S CB 0.334 63.513 63.200 -0.036 0.000 0.791 2417 S HN 0.260 nan 8.310 nan 0.000 0.513 2418 Q N 0.344 120.013 119.800 -0.218 0.000 2.302 2418 Q HA 0.336 4.676 4.340 -0.000 0.000 0.202 2418 Q C 0.323 176.110 176.000 -0.356 0.000 0.936 2418 Q CA 0.441 56.097 55.803 -0.245 0.000 0.886 2418 Q CB 0.114 28.701 28.738 -0.253 0.000 0.986 2418 Q HN 0.588 nan 8.270 nan 0.000 0.487 2419 I N -0.444 119.827 120.570 -0.498 0.000 2.918 2419 I HA 0.476 4.646 4.170 -0.000 0.000 0.316 2419 I C 0.257 176.216 176.117 -0.263 0.000 1.001 2419 I CA -0.780 60.241 61.300 -0.465 0.000 1.142 2419 I CB 1.689 39.304 38.000 -0.642 0.000 1.356 2419 I HN -0.070 nan 8.210 nan 0.000 0.524 2420 G N 2.709 111.387 108.800 -0.203 0.000 2.768 2420 G HA2 0.464 4.424 3.960 -0.000 0.000 0.297 2420 G HA3 0.464 4.424 3.960 -0.000 0.000 0.297 2420 G C -1.843 173.043 174.900 -0.024 0.000 1.430 2420 G CA -0.376 44.667 45.100 -0.094 0.000 1.030 2420 G HN 0.498 nan 8.290 nan 0.000 0.553 2421 F N 3.341 123.209 119.950 -0.136 0.000 2.499 2421 F HA 0.575 5.102 4.527 0.000 0.000 0.333 2421 F C -0.877 174.899 175.800 -0.039 0.000 1.138 2421 F CA -0.984 56.955 58.000 -0.102 0.000 0.945 2421 F CB 1.792 40.735 39.000 -0.094 0.000 1.181 2421 F HN 0.297 nan 8.300 nan 0.000 0.435 2422 V N 5.856 126.072 119.914 0.505 0.000 2.334 2422 V HA 0.357 4.477 4.120 -0.000 0.000 0.281 2422 V C -0.203 176.085 176.094 0.325 0.000 1.016 2422 V CA -0.307 62.143 62.300 0.249 0.000 0.832 2422 V CB 1.025 32.923 31.823 0.126 0.000 0.999 2422 V HN 0.784 nan 8.190 nan 0.000 0.439 2423 S N 3.800 119.586 115.700 0.144 0.000 2.745 2423 S HA 0.762 5.232 4.470 -0.000 0.000 0.306 2423 S C -0.672 173.974 174.600 0.076 0.000 1.137 2423 S CA -0.821 57.486 58.200 0.179 0.000 0.900 2423 S CB 2.113 65.389 63.200 0.126 0.000 1.176 2423 S HN 0.594 nan 8.310 nan 0.000 0.520 2424 Q N -0.023 119.825 119.800 0.080 0.000 2.204 2424 Q HA 0.315 4.655 4.340 -0.000 0.000 0.254 2424 Q C -1.052 174.962 176.000 0.022 0.000 0.981 2424 Q CA -0.691 55.140 55.803 0.046 0.000 0.897 2424 Q CB 0.705 29.471 28.738 0.047 0.000 1.273 2424 Q HN 0.685 nan 8.270 nan 0.000 0.464 2425 D N 0.941 121.351 120.400 0.016 0.000 3.041 2425 D HA -0.151 4.489 4.640 -0.000 0.000 0.207 2425 D C 0.172 176.475 176.300 0.005 0.000 1.077 2425 D CA 1.560 55.564 54.000 0.008 0.000 0.782 2425 D CB 0.659 41.463 40.800 0.007 0.000 1.169 2425 D HN 0.656 nan 8.370 nan 0.000 0.517 2426 S N 0.238 115.939 115.700 0.002 0.000 4.336 2426 S HA -0.070 4.400 4.470 -0.000 0.000 0.088 2426 S C 0.312 174.911 174.600 -0.001 0.000 0.880 2426 S CA 0.423 58.623 58.200 0.001 0.000 1.430 2426 S CB -1.044 62.157 63.200 0.001 0.000 1.199 2426 S HN 0.728 nan 8.310 nan 0.000 0.347 2427 A N 3.061 125.879 122.820 -0.004 0.000 3.132 2427 A HA 0.353 4.673 4.320 -0.000 0.000 0.288 2427 A C 0.283 177.868 177.584 0.002 0.000 1.959 2427 A CA 0.410 52.444 52.037 -0.006 0.000 1.374 2427 A CB -1.496 17.494 19.000 -0.016 0.000 0.918 2427 A HN 0.571 nan 8.150 nan 0.000 0.594 2428 I N 2.483 123.054 120.570 0.001 0.000 2.499 2428 I HA 0.379 4.549 4.170 -0.000 0.000 0.296 2428 I C 0.612 176.731 176.117 0.003 0.000 0.992 2428 I CA -0.331 60.971 61.300 0.004 0.000 1.297 2428 I CB 1.411 39.412 38.000 0.001 0.000 1.410 2428 I HN 0.619 nan 8.210 nan 0.000 0.507 2429 M N 4.119 123.723 119.600 0.006 0.000 2.456 2429 M HA 0.871 5.351 4.480 -0.000 0.000 0.324 2429 M C -1.016 175.281 176.300 -0.006 0.000 1.124 2429 M CA -0.689 54.612 55.300 0.002 0.000 0.959 2429 M CB 2.150 34.759 32.600 0.014 0.000 1.692 2429 M HN 0.567 nan 8.290 nan 0.000 0.444 2430 A N 1.697 124.504 122.820 -0.022 0.000 2.374 2430 A HA 1.009 5.329 4.320 -0.000 0.000 0.305 2430 A C 0.009 177.564 177.584 -0.048 0.000 1.053 2430 A CA 0.106 52.125 52.037 -0.029 0.000 0.726 2430 A CB 1.374 20.355 19.000 -0.032 0.000 1.229 2430 A HN 1.549 nan 8.150 nan 0.000 0.431 2431 G N 0.241 109.016 108.800 -0.041 0.000 2.265 2431 G HA2 0.374 4.334 3.960 -0.000 0.000 0.246 2431 G HA3 0.374 4.334 3.960 -0.000 0.000 0.246 2431 G C -0.295 174.581 174.900 -0.041 0.000 1.299 2431 G CA -0.091 44.976 45.100 -0.055 0.000 1.117 2431 G HN 1.273 nan 8.290 nan 0.000 0.485 2432 T N 0.552 115.076 114.554 -0.050 0.000 2.944 2432 T HA 0.571 4.921 4.350 -0.000 0.000 0.284 2432 T C 1.709 176.381 174.700 -0.046 0.000 1.010 2432 T CA -0.246 61.827 62.100 -0.044 0.000 1.025 2432 T CB 1.600 70.437 68.868 -0.051 0.000 1.079 2432 T HN 0.494 nan 8.240 nan 0.000 0.516 2433 I N 0.439 120.975 120.570 -0.055 0.000 3.176 2433 I HA -0.016 4.154 4.170 -0.000 0.000 0.275 2433 I C 2.502 178.558 176.117 -0.101 0.000 1.298 2433 I CA 0.920 62.176 61.300 -0.074 0.000 1.445 2433 I CB -0.186 37.756 38.000 -0.097 0.000 1.075 2433 I HN 0.555 nan 8.210 nan 0.000 0.482 2434 R N 0.887 121.331 120.500 -0.093 0.000 2.175 2434 R HA 0.002 4.342 4.340 -0.000 0.000 0.202 2434 R C 1.857 178.126 176.300 -0.052 0.000 1.018 2434 R CA 0.488 56.532 56.100 -0.092 0.000 1.029 2434 R CB 0.291 30.536 30.300 -0.090 0.000 0.959 2434 R HN 0.300 nan 8.270 nan 0.000 0.480 2435 E N 0.164 120.334 120.200 -0.050 0.000 2.158 2435 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 2435 E C 1.026 177.614 176.600 -0.020 0.000 0.982 2435 E CA 0.505 56.879 56.400 -0.044 0.000 0.823 2435 E CB 0.104 29.754 29.700 -0.082 0.000 0.766 2435 E HN 0.302 nan 8.360 nan 0.000 0.468 2436 N N 0.533 119.222 118.700 -0.019 0.000 2.515 2436 N HA -0.008 4.732 4.740 -0.000 0.000 0.185 2436 N C 1.354 176.889 175.510 0.042 0.000 1.109 2436 N CA 0.501 53.560 53.050 0.014 0.000 0.903 2436 N CB 0.360 38.850 38.487 0.006 0.000 0.969 2436 N HN 0.198 nan 8.380 nan 0.000 0.450 2437 L N -0.674 120.563 121.223 0.023 0.000 2.638 2437 L HA 0.146 4.486 4.340 -0.000 0.000 0.232 2437 L C 0.924 177.819 176.870 0.043 0.000 1.099 2437 L CA 0.600 55.455 54.840 0.026 0.000 0.883 2437 L CB 0.363 42.412 42.059 -0.016 0.000 1.136 2437 L HN 0.039 nan 8.230 nan 0.000 0.492 2438 T N -2.655 111.937 114.554 0.063 0.000 3.075 2438 T HA 0.003 4.353 4.350 -0.000 0.000 0.251 2438 T C 0.485 175.253 174.700 0.115 0.000 0.979 2438 T CA -0.331 61.810 62.100 0.069 0.000 1.033 2438 T CB -0.070 68.823 68.868 0.042 0.000 1.104 2438 T HN 0.105 nan 8.240 nan 0.000 0.473 2439 Y N 3.320 123.612 120.300 -0.013 0.000 2.585 2439 Y HA 0.020 4.570 4.550 0.000 0.000 0.413 2439 Y C 1.092 176.987 175.900 -0.008 0.000 1.201 2439 Y CA 0.674 58.767 58.100 -0.012 0.000 1.634 2439 Y CB -0.734 37.718 38.460 -0.013 0.000 1.116 2439 Y HN 0.544 nan 8.280 nan 0.000 0.474 2440 G N 5.415 114.146 108.800 -0.115 0.000 2.164 2440 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.212 2440 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.212 2440 G C -0.736 174.106 174.900 -0.097 0.000 1.031 2440 G CA -0.090 44.870 45.100 -0.233 0.000 0.730 2440 G HN 0.694 nan 8.290 nan 0.000 0.501 2441 L N -0.955 120.249 121.223 -0.032 0.000 2.341 2441 L HA 0.631 4.971 4.340 -0.000 0.000 0.254 2441 L C 0.540 177.408 176.870 -0.003 0.000 1.040 2441 L CA -1.417 53.417 54.840 -0.009 0.000 0.837 2441 L CB 1.369 43.437 42.059 0.015 0.000 1.425 2441 L HN 0.219 nan 8.230 nan 0.000 0.414 2442 E N 0.258 120.460 120.200 0.004 0.000 2.351 2442 E HA 0.354 4.704 4.350 -0.000 0.000 0.255 2442 E C -0.118 176.468 176.600 -0.023 0.000 1.188 2442 E CA -0.642 55.754 56.400 -0.006 0.000 0.940 2442 E CB 0.686 30.388 29.700 0.003 0.000 1.094 2442 E HN 0.693 nan 8.360 nan 0.000 0.474 2443 G N 0.505 109.271 108.800 -0.057 0.000 2.444 2443 G HA2 0.353 4.313 3.960 -0.000 0.000 0.268 2443 G HA3 0.353 4.313 3.960 -0.000 0.000 0.268 2443 G C -0.561 174.221 174.900 -0.196 0.000 1.203 2443 G CA -0.113 44.929 45.100 -0.096 0.000 0.835 2443 G HN 0.556 nan 8.290 nan 0.000 0.543 2444 D N -0.623 119.673 120.400 -0.174 0.000 7.203 2444 D HA -0.214 4.426 4.640 -0.000 0.000 0.324 2444 D C 0.339 176.525 176.300 -0.190 0.000 2.597 2444 D CA 1.069 54.913 54.000 -0.260 0.000 1.714 2444 D CB -0.759 39.744 40.800 -0.495 0.000 1.143 2444 D HN 0.986 nan 8.370 nan 0.000 1.213 2445 Y N -3.006 117.294 120.300 -0.001 0.000 4.839 2445 Y HA -0.283 4.267 4.550 -0.000 0.000 0.288 2445 Y C 1.238 177.136 175.900 -0.004 0.000 0.883 2445 Y CA 0.775 58.876 58.100 0.001 0.000 1.671 2445 Y CB -1.620 36.842 38.460 0.003 0.000 1.041 2445 Y HN 0.782 nan 8.280 nan 0.000 0.450 2446 T N 0.419 115.009 114.554 0.059 0.000 0.541 2446 T HA -0.271 4.079 4.350 -0.000 0.000 0.774 2446 T C 0.814 175.513 174.700 -0.001 0.000 0.992 2446 T CA 1.343 63.457 62.100 0.022 0.000 4.077 2446 T CB -0.339 68.548 68.868 0.032 0.000 2.303 2446 T HN 0.646 nan 8.240 nan 0.000 0.398 2447 D N 0.211 120.591 120.400 -0.034 0.000 2.265 2447 D HA -0.131 4.509 4.640 -0.000 0.000 0.208 2447 D C 1.629 177.887 176.300 -0.071 0.000 0.977 2447 D CA 1.693 55.612 54.000 -0.134 0.000 0.871 2447 D CB -0.358 40.359 40.800 -0.137 0.000 0.925 2447 D HN 0.718 nan 8.370 nan 0.000 0.485 2448 E N 1.177 121.434 120.200 0.095 0.000 2.051 2448 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 2448 E C 1.513 178.197 176.600 0.138 0.000 0.991 2448 E CA 1.584 58.108 56.400 0.206 0.000 0.799 2448 E CB -0.053 29.740 29.700 0.155 0.000 0.748 2448 E HN 0.439 nan 8.360 nan 0.000 0.449 2449 D N 0.533 120.980 120.400 0.078 0.000 2.218 2449 D HA -0.189 4.451 4.640 -0.000 0.000 0.204 2449 D C 2.091 178.394 176.300 0.006 0.000 0.976 2449 D CA 0.726 54.759 54.000 0.056 0.000 0.853 2449 D CB -0.586 40.275 40.800 0.101 0.000 0.939 2449 D HN 0.318 nan 8.370 nan 0.000 0.481 2450 L N -1.584 119.594 121.223 -0.074 0.000 2.240 2450 L HA 0.070 4.410 4.340 -0.000 0.000 0.211 2450 L C 2.324 179.078 176.870 -0.194 0.000 1.106 2450 L CA 0.423 55.157 54.840 -0.176 0.000 0.793 2450 L CB -0.421 41.455 42.059 -0.305 0.000 0.927 2450 L HN 0.034 nan 8.230 nan 0.000 0.446 2451 W N 0.650 121.919 121.300 -0.053 0.000 2.407 2451 W HA -0.143 4.517 4.660 -0.000 0.000 0.305 2451 W C 2.763 179.217 176.519 -0.108 0.000 1.196 2451 W CA 0.421 57.716 57.345 -0.083 0.000 1.311 2451 W CB -0.063 29.352 29.460 -0.076 0.000 1.135 2451 W HN 0.114 nan 8.180 nan 0.000 0.514 2452 Q N -0.188 119.697 119.800 0.142 0.000 2.135 2452 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 2452 Q C 2.061 178.012 176.000 -0.083 0.000 0.981 2452 Q CA 1.640 57.447 55.803 0.007 0.000 0.856 2452 Q CB -0.633 28.098 28.738 -0.011 0.000 0.902 2452 Q HN 0.232 nan 8.270 nan 0.000 0.425 2453 V N 0.905 120.780 119.914 -0.066 0.000 2.407 2453 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 2453 V C 2.077 178.113 176.094 -0.096 0.000 1.041 2453 V CA 1.244 63.477 62.300 -0.112 0.000 1.040 2453 V CB -0.295 31.520 31.823 -0.014 0.000 0.671 2453 V HN 0.324 nan 8.190 nan 0.000 0.455 2454 L N 0.157 121.359 121.223 -0.036 0.000 2.362 2454 L HA -0.123 4.217 4.340 -0.000 0.000 0.219 2454 L C 2.261 179.113 176.870 -0.030 0.000 1.134 2454 L CA 1.261 56.094 54.840 -0.011 0.000 0.807 2454 L CB -0.422 41.620 42.059 -0.027 0.000 0.927 2454 L HN 0.410 nan 8.230 nan 0.000 0.447 2455 D N 0.385 120.733 120.400 -0.086 0.000 2.149 2455 D HA -0.109 4.531 4.640 -0.000 0.000 0.206 2455 D C 2.271 178.352 176.300 -0.365 0.000 0.967 2455 D CA 1.008 54.872 54.000 -0.227 0.000 0.848 2455 D CB 0.143 40.824 40.800 -0.198 0.000 0.998 2455 D HN 0.225 nan 8.370 nan 0.000 0.474 2456 L N 0.414 121.446 121.223 -0.317 0.000 2.131 2456 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 2456 L C 2.437 179.270 176.870 -0.061 0.000 1.092 2456 L CA 1.185 55.785 54.840 -0.401 0.000 0.759 2456 L CB -0.311 41.151 42.059 -0.996 0.000 0.903 2456 L HN 0.034 nan 8.230 nan 0.000 0.435 2457 A N -1.457 121.401 122.820 0.063 0.000 2.178 2457 A HA 0.020 4.340 4.320 -0.000 0.000 0.211 2457 A C 0.565 178.449 177.584 0.499 0.000 1.157 2457 A CA -0.218 52.046 52.037 0.378 0.000 0.780 2457 A CB -0.272 18.921 19.000 0.322 0.000 0.828 2457 A HN 0.393 nan 8.150 nan 0.000 0.476 2458 F N -2.966 117.035 119.950 0.085 0.000 3.030 2458 F HA -0.254 4.273 4.527 -0.000 0.000 0.309 2458 F C 1.284 177.191 175.800 0.179 0.000 0.941 2458 F CA 0.193 58.257 58.000 0.106 0.000 1.082 2458 F CB -1.697 37.366 39.000 0.104 0.000 1.113 2458 F HN 0.299 nan 8.300 nan 0.000 0.716 2459 A N -0.132 122.804 122.820 0.194 0.000 2.042 2459 A HA 0.283 4.603 4.320 -0.000 0.000 0.207 2459 A C 1.942 179.439 177.584 -0.146 0.000 1.598 2459 A CA 0.846 52.950 52.037 0.111 0.000 0.818 2459 A CB -0.315 18.676 19.000 -0.015 0.000 1.169 2459 A HN 0.314 nan 8.150 nan 0.000 0.548 2460 R N 0.368 120.822 120.500 -0.077 0.000 2.409 2460 R HA -0.334 4.006 4.340 -0.000 0.000 0.215 2460 R C 2.108 178.395 176.300 -0.022 0.000 0.981 2460 R CA 3.111 59.239 56.100 0.047 0.000 0.691 2460 R CB -1.193 29.124 30.300 0.028 0.000 0.897 2460 R HN 0.463 nan 8.270 nan 0.000 0.353 2461 S N -0.066 115.624 115.700 -0.016 0.000 2.392 2461 S HA -0.248 4.222 4.470 -0.000 0.000 0.225 2461 S C 1.649 176.295 174.600 0.077 0.000 1.041 2461 S CA 1.879 60.096 58.200 0.028 0.000 1.100 2461 S CB -0.765 62.488 63.200 0.088 0.000 1.029 2461 S HN 0.609 nan 8.310 nan 0.000 0.424 2462 F N 1.777 121.772 119.950 0.076 0.000 2.293 2462 F HA 0.063 4.590 4.527 -0.000 0.000 0.300 2462 F C 1.879 177.738 175.800 0.098 0.000 1.086 2462 F CA 0.375 58.420 58.000 0.075 0.000 1.375 2462 F CB -0.802 38.239 39.000 0.069 0.000 1.045 2462 F HN -0.008 nan 8.300 nan 0.000 0.516 2463 V N 0.854 120.428 119.914 -0.567 0.000 2.453 2463 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 2463 V C 2.381 178.502 176.094 0.046 0.000 1.048 2463 V CA 2.095 64.174 62.300 -0.368 0.000 1.049 2463 V CB -0.625 30.965 31.823 -0.388 0.000 0.672 2463 V HN 0.377 nan 8.190 nan 0.000 0.457 2464 E N 0.428 120.702 120.200 0.123 0.000 2.072 2464 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 2464 E C 1.776 178.425 176.600 0.083 0.000 0.985 2464 E CA 1.165 57.639 56.400 0.124 0.000 0.801 2464 E CB -0.148 29.521 29.700 -0.051 0.000 0.750 2464 E HN 0.551 nan 8.360 nan 0.000 0.452 2465 N N 0.067 118.815 118.700 0.081 0.000 2.609 2465 N HA -0.048 4.692 4.740 -0.000 0.000 0.190 2465 N C 0.075 175.650 175.510 0.108 0.000 1.157 2465 N CA 0.761 53.867 53.050 0.094 0.000 0.918 2465 N CB 0.059 38.620 38.487 0.124 0.000 0.978 2465 N HN 0.208 nan 8.380 nan 0.000 0.448 2466 M N 0.252 119.919 119.600 0.111 0.000 2.318 2466 M HA 0.182 4.662 4.480 -0.000 0.000 0.347 2466 M C -1.317 175.028 176.300 0.075 0.000 1.175 2466 M CA -1.854 53.508 55.300 0.105 0.000 1.075 2466 M CB 1.373 34.040 32.600 0.111 0.000 1.614 2466 M HN -0.230 nan 8.290 nan 0.000 0.456 2467 P HA -0.266 nan 4.420 nan 0.000 0.216 2467 P C 0.063 177.389 177.300 0.043 0.000 0.860 2467 P CA 1.676 64.803 63.100 0.046 0.000 1.042 2467 P CB 0.022 31.745 31.700 0.038 0.000 0.716 2468 D N -0.740 119.682 120.400 0.036 0.000 2.336 2468 D HA 0.010 4.650 4.640 -0.000 0.000 0.228 2468 D C 0.051 176.372 176.300 0.035 0.000 1.120 2468 D CA 0.072 54.091 54.000 0.031 0.000 0.839 2468 D CB -0.719 40.091 40.800 0.017 0.000 0.932 2468 D HN 0.487 nan 8.370 nan 0.000 0.509 2469 Q N 0.869 120.699 119.800 0.051 0.000 3.160 2469 Q HA -0.253 4.087 4.340 -0.000 0.000 0.099 2469 Q C 0.437 176.428 176.000 -0.015 0.000 1.671 2469 Q CA 0.465 56.306 55.803 0.063 0.000 0.304 2469 Q CB -0.433 28.417 28.738 0.187 0.000 0.675 2469 Q HN 0.405 nan 8.270 nan 0.000 0.353 2470 L N -0.203 120.942 121.223 -0.130 0.000 5.174 2470 L HA -0.287 4.053 4.340 -0.000 0.000 0.420 2470 L C 0.136 176.930 176.870 -0.128 0.000 0.973 2470 L CA 1.331 56.031 54.840 -0.232 0.000 1.381 2470 L CB -1.408 40.413 42.059 -0.396 0.000 1.819 2470 L HN 0.921 nan 8.230 nan 0.000 0.645 2471 N N -0.464 118.196 118.700 -0.066 0.000 2.377 2471 N HA 0.166 4.906 4.740 -0.000 0.000 0.259 2471 N C -0.106 175.390 175.510 -0.024 0.000 1.332 2471 N CA 0.124 53.148 53.050 -0.043 0.000 0.877 2471 N CB 1.003 39.474 38.487 -0.027 0.000 1.299 2471 N HN 0.116 nan 8.380 nan 0.000 0.501 2472 T N 0.741 115.281 114.554 -0.024 0.000 2.889 2472 T HA 0.208 4.558 4.350 -0.000 0.000 0.291 2472 T C 0.349 175.046 174.700 -0.006 0.000 0.995 2472 T CA -0.116 61.982 62.100 -0.003 0.000 1.092 2472 T CB 2.067 70.943 68.868 0.013 0.000 0.954 2472 T HN 0.047 nan 8.240 nan 0.000 0.506 2473 E N 1.823 122.023 120.200 -0.000 0.000 2.249 2473 E HA 0.527 4.877 4.350 -0.000 0.000 0.280 2473 E C -1.043 175.561 176.600 0.006 0.000 1.016 2473 E CA -0.461 55.936 56.400 -0.005 0.000 0.830 2473 E CB 0.792 30.487 29.700 -0.008 0.000 1.081 2473 E HN 0.335 nan 8.360 nan 0.000 0.395 2474 V N 3.127 123.043 119.914 0.003 0.000 3.074 2474 V HA 0.906 5.026 4.120 -0.000 0.000 0.314 2474 V C 0.595 176.690 176.094 0.002 0.000 1.117 2474 V CA 0.188 62.495 62.300 0.012 0.000 1.014 2474 V CB 1.447 33.283 31.823 0.021 0.000 1.057 2474 V HN 0.996 nan 8.190 nan 0.000 0.438 2475 G N 1.925 110.728 108.800 0.006 0.000 2.512 2475 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.210 2475 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.210 2475 G C 0.334 175.234 174.900 -0.000 0.000 1.295 2475 G CA 0.372 45.472 45.100 -0.000 0.000 0.934 2475 G HN 0.644 nan 8.290 nan 0.000 0.554 2476 E N 0.030 120.227 120.200 -0.004 0.000 2.107 2476 E HA -0.024 4.326 4.350 -0.000 0.000 0.191 2476 E C 2.742 179.340 176.600 -0.003 0.000 0.982 2476 E CA 1.040 57.438 56.400 -0.003 0.000 0.809 2476 E CB -0.010 29.687 29.700 -0.005 0.000 0.756 2476 E HN 0.438 nan 8.360 nan 0.000 0.459 2477 R N 0.431 120.927 120.500 -0.006 0.000 2.070 2477 R HA -0.076 4.264 4.340 -0.000 0.000 0.233 2477 R C 1.901 178.200 176.300 -0.003 0.000 1.137 2477 R CA 1.274 57.370 56.100 -0.007 0.000 0.945 2477 R CB -0.378 29.915 30.300 -0.012 0.000 0.845 2477 R HN 0.130 nan 8.270 nan 0.000 0.430 2478 G N -0.025 108.775 108.800 -0.001 0.000 3.311 2478 G HA2 0.244 4.204 3.960 -0.000 0.000 0.169 2478 G HA3 0.244 4.204 3.960 -0.000 0.000 0.169 2478 G C 0.100 175.006 174.900 0.010 0.000 1.852 2478 G CA -0.371 44.731 45.100 0.004 0.000 1.010 2478 G HN 0.020 nan 8.290 nan 0.000 0.530 2479 V N 0.070 119.995 119.914 0.018 0.000 3.336 2479 V HA 0.399 4.519 4.120 -0.000 0.000 0.314 2479 V C 0.289 176.398 176.094 0.024 0.000 1.088 2479 V CA -0.835 61.480 62.300 0.025 0.000 1.033 2479 V CB 1.644 33.491 31.823 0.039 0.000 1.181 2479 V HN 0.531 nan 8.190 nan 0.000 0.449 2480 K N 1.173 121.588 120.400 0.024 0.000 2.143 2480 K HA 0.670 4.990 4.320 -0.000 0.000 0.272 2480 K C -1.468 175.143 176.600 0.018 0.000 1.001 2480 K CA -0.284 56.012 56.287 0.015 0.000 0.915 2480 K CB 0.920 33.425 32.500 0.009 0.000 1.047 2480 K HN 0.588 nan 8.250 nan 0.000 0.458 2481 I N 2.094 122.667 120.570 0.005 0.000 2.775 2481 I HA 0.069 4.239 4.170 -0.000 0.000 0.295 2481 I C -0.205 175.894 176.117 -0.031 0.000 1.287 2481 I CA -0.787 60.506 61.300 -0.011 0.000 1.029 2481 I CB 2.525 40.540 38.000 0.026 0.000 1.282 2481 I HN 0.761 nan 8.210 nan 0.000 0.426 2482 S N 2.722 118.381 115.700 -0.069 0.000 2.681 2482 S HA 0.395 4.865 4.470 -0.000 0.000 0.270 2482 S C 1.134 175.709 174.600 -0.041 0.000 1.209 2482 S CA -0.029 58.136 58.200 -0.058 0.000 0.988 2482 S CB 1.462 64.612 63.200 -0.084 0.000 1.006 2482 S HN 0.864 nan 8.310 nan 0.000 0.558 2483 G N 0.262 109.045 108.800 -0.027 0.000 2.418 2483 G HA2 0.022 3.982 3.960 -0.000 0.000 0.217 2483 G HA3 0.022 3.982 3.960 -0.000 0.000 0.217 2483 G C 1.322 176.217 174.900 -0.008 0.000 1.158 2483 G CA 0.517 45.610 45.100 -0.011 0.000 0.771 2483 G HN 0.964 nan 8.290 nan 0.000 0.545 2484 G N -0.127 108.658 108.800 -0.025 0.000 2.448 2484 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.219 2484 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.219 2484 G C 1.766 176.651 174.900 -0.025 0.000 1.127 2484 G CA 0.924 46.012 45.100 -0.021 0.000 0.766 2484 G HN 0.531 nan 8.290 nan 0.000 0.552 2485 Q N -0.654 119.101 119.800 -0.074 0.000 2.297 2485 Q HA 0.161 4.501 4.340 -0.000 0.000 0.203 2485 Q C 2.703 178.745 176.000 0.070 0.000 0.931 2485 Q CA -0.139 55.613 55.803 -0.085 0.000 0.885 2485 Q CB 0.122 28.619 28.738 -0.402 0.000 0.991 2485 Q HN 0.348 nan 8.270 nan 0.000 0.498 2486 R N 1.281 121.806 120.500 0.041 0.000 2.083 2486 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 2486 R C 2.443 178.789 176.300 0.077 0.000 1.137 2486 R CA 2.011 58.148 56.100 0.062 0.000 0.951 2486 R CB -0.179 30.141 30.300 0.033 0.000 0.851 2486 R HN 0.398 nan 8.270 nan 0.000 0.434 2487 Q N 0.169 120.009 119.800 0.067 0.000 2.172 2487 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 2487 Q C 1.879 177.944 176.000 0.109 0.000 0.964 2487 Q CA 0.939 56.787 55.803 0.075 0.000 0.855 2487 Q CB -0.208 28.567 28.738 0.062 0.000 0.918 2487 Q HN 0.231 nan 8.270 nan 0.000 0.444 2488 R N 0.028 120.612 120.500 0.140 0.000 2.159 2488 R HA -0.080 4.260 4.340 -0.000 0.000 0.237 2488 R C 1.842 178.266 176.300 0.205 0.000 1.131 2488 R CA 0.985 57.202 56.100 0.196 0.000 0.982 2488 R CB -0.105 30.350 30.300 0.259 0.000 0.868 2488 R HN 0.213 nan 8.270 nan 0.000 0.453 2489 L N -0.504 120.828 121.223 0.182 0.000 2.240 2489 L HA 0.005 4.345 4.340 -0.000 0.000 0.211 2489 L C 2.181 179.118 176.870 0.113 0.000 1.106 2489 L CA 1.320 56.247 54.840 0.145 0.000 0.793 2489 L CB -0.392 41.748 42.059 0.136 0.000 0.927 2489 L HN 0.114 nan 8.230 nan 0.000 0.446 2490 A N -0.727 122.155 122.820 0.103 0.000 1.930 2490 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 2490 A C 2.232 179.864 177.584 0.081 0.000 1.176 2490 A CA 0.994 53.077 52.037 0.077 0.000 0.632 2490 A CB -0.482 18.552 19.000 0.057 0.000 0.819 2490 A HN 0.321 nan 8.150 nan 0.000 0.445 2491 I N -0.143 120.492 120.570 0.107 0.000 2.394 2491 I HA -0.239 3.931 4.170 -0.000 0.000 0.251 2491 I C 2.883 179.121 176.117 0.200 0.000 1.136 2491 I CA 0.931 62.289 61.300 0.096 0.000 1.425 2491 I CB -0.267 37.824 38.000 0.152 0.000 1.079 2491 I HN 0.353 nan 8.210 nan 0.000 0.425 2492 A N 0.805 123.777 122.820 0.255 0.000 1.873 2492 A HA -0.207 4.113 4.320 -0.000 0.000 0.215 2492 A C 2.474 180.187 177.584 0.215 0.000 1.186 2492 A CA 1.354 53.568 52.037 0.294 0.000 0.616 2492 A CB -0.580 18.525 19.000 0.176 0.000 0.823 2492 A HN 0.302 nan 8.150 nan 0.000 0.442 2493 R N -0.306 120.272 120.500 0.130 0.000 2.120 2493 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 2493 R C 2.234 178.584 176.300 0.084 0.000 1.123 2493 R CA 1.347 57.501 56.100 0.090 0.000 0.975 2493 R CB -0.352 29.987 30.300 0.066 0.000 0.866 2493 R HN 0.460 nan 8.270 nan 0.000 0.446 2494 A N 0.349 123.208 122.820 0.065 0.000 1.873 2494 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 2494 A C 1.990 179.585 177.584 0.019 0.000 1.186 2494 A CA 1.094 53.128 52.037 -0.006 0.000 0.616 2494 A CB -0.817 18.131 19.000 -0.087 0.000 0.823 2494 A HN 0.391 nan 8.150 nan 0.000 0.442 2495 F N -0.802 119.165 119.950 0.028 0.000 2.154 2495 F HA -0.216 4.311 4.527 -0.000 0.000 0.301 2495 F C 2.129 177.938 175.800 0.015 0.000 1.087 2495 F CA 1.416 59.432 58.000 0.026 0.000 1.274 2495 F CB -0.119 38.904 39.000 0.039 0.000 1.009 2495 F HN 0.288 nan 8.300 nan 0.000 0.485 2496 L N 0.322 121.684 121.223 0.231 0.000 2.072 2496 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 2496 L C 2.371 179.292 176.870 0.085 0.000 1.079 2496 L CA 1.595 56.513 54.840 0.129 0.000 0.752 2496 L CB -0.618 41.499 42.059 0.097 0.000 0.906 2496 L HN -0.031 nan 8.230 nan 0.000 0.436 2497 R N 0.128 120.665 120.500 0.062 0.000 2.189 2497 R HA -0.147 4.193 4.340 -0.000 0.000 0.223 2497 R C 0.301 176.610 176.300 0.016 0.000 1.092 2497 R CA 0.673 56.788 56.100 0.025 0.000 0.989 2497 R CB -0.232 30.069 30.300 0.001 0.000 0.876 2497 R HN 0.531 nan 8.270 nan 0.000 0.457 2498 N N 0.610 119.329 118.700 0.033 0.000 2.607 2498 N HA -0.110 4.630 4.740 -0.000 0.000 0.285 2498 N C -2.683 172.815 175.510 -0.019 0.000 1.151 2498 N CA 0.239 53.306 53.050 0.027 0.000 0.749 2498 N CB -0.178 38.340 38.487 0.052 0.000 0.923 2498 N HN 0.195 nan 8.380 nan 0.000 0.552 2499 P HA 0.193 nan 4.420 nan 0.000 0.277 2499 P C 0.589 177.840 177.300 -0.081 0.000 1.271 2499 P CA -0.352 62.691 63.100 -0.096 0.000 0.795 2499 P CB 0.692 32.312 31.700 -0.134 0.000 1.101 2500 K N -0.374 119.967 120.400 -0.099 0.000 2.287 2500 K HA 0.252 4.572 4.320 -0.000 0.000 0.199 2500 K C 0.377 176.928 176.600 -0.081 0.000 1.061 2500 K CA 0.493 56.741 56.287 -0.064 0.000 0.976 2500 K CB 0.215 32.689 32.500 -0.044 0.000 0.898 2500 K HN 0.333 nan 8.250 nan 0.000 0.492 2501 I N 2.145 122.630 120.570 -0.142 0.000 2.378 2501 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 2501 I C -1.060 174.941 176.117 -0.194 0.000 0.992 2501 I CA -1.012 60.192 61.300 -0.159 0.000 1.154 2501 I CB 1.662 39.539 38.000 -0.205 0.000 1.315 2501 I HN -0.089 nan 8.210 nan 0.000 0.448 2502 L N 7.509 128.629 121.223 -0.171 0.000 2.365 2502 L HA 0.701 5.041 4.340 -0.000 0.000 0.273 2502 L C -0.978 175.744 176.870 -0.247 0.000 1.000 2502 L CA -0.178 54.552 54.840 -0.184 0.000 0.819 2502 L CB 1.711 43.689 42.059 -0.135 0.000 1.284 2502 L HN 0.573 nan 8.230 nan 0.000 0.418 2503 M N 5.835 125.241 119.600 -0.324 0.000 2.591 2503 M HA 0.811 5.291 4.480 -0.000 0.000 0.306 2503 M C -1.286 174.827 176.300 -0.312 0.000 1.190 2503 M CA -0.444 54.524 55.300 -0.553 0.000 0.889 2503 M CB 2.220 34.137 32.600 -1.139 0.000 1.728 2503 M HN 0.602 nan 8.290 nan 0.000 0.458 2504 L N -1.438 119.698 121.223 -0.145 0.000 3.119 2504 L HA 0.895 5.235 4.340 -0.000 0.000 0.283 2504 L C -2.168 174.822 176.870 0.200 0.000 1.028 2504 L CA -0.961 53.924 54.840 0.075 0.000 0.975 2504 L CB 1.809 43.941 42.059 0.122 0.000 1.543 2504 L HN 0.812 nan 8.230 nan 0.000 0.390 2505 D N -1.427 119.122 120.400 0.249 0.000 2.926 2505 D HA 0.323 4.963 4.640 -0.000 0.000 0.272 2505 D C -1.544 174.889 176.300 0.222 0.000 1.172 2505 D CA -0.386 53.760 54.000 0.242 0.000 0.731 2505 D CB 1.762 42.707 40.800 0.243 0.000 1.282 2505 D HN 0.671 nan 8.370 nan 0.000 0.430 2506 E N -0.544 119.782 120.200 0.210 0.000 2.176 2506 E HA 0.713 5.063 4.350 -0.000 0.000 0.267 2506 E C -0.616 175.938 176.600 -0.077 0.000 0.893 2506 E CA -0.708 55.747 56.400 0.092 0.000 0.761 2506 E CB 1.643 31.399 29.700 0.093 0.000 1.133 2506 E HN 0.551 nan 8.360 nan 0.000 0.409 2507 A N 3.259 126.036 122.820 -0.072 0.000 2.571 2507 A HA 0.585 4.905 4.320 -0.000 0.000 0.274 2507 A C 0.457 177.977 177.584 -0.106 0.000 1.196 2507 A CA 0.648 52.596 52.037 -0.148 0.000 0.957 2507 A CB -0.074 18.900 19.000 -0.043 0.000 1.150 2507 A HN 0.644 nan 8.150 nan 0.000 0.539 2508 T N -2.126 112.383 114.554 -0.075 0.000 2.923 2508 T HA 0.611 4.961 4.350 -0.000 0.000 0.311 2508 T C 0.706 175.388 174.700 -0.030 0.000 1.183 2508 T CA 0.030 62.104 62.100 -0.043 0.000 1.020 2508 T CB 0.973 69.829 68.868 -0.019 0.000 1.165 2508 T HN 0.812 nan 8.240 nan 0.000 0.482 2509 A N 1.102 123.908 122.820 -0.023 0.000 2.216 2509 A HA 0.419 4.739 4.320 -0.000 0.000 0.214 2509 A C 2.646 180.227 177.584 -0.004 0.000 1.160 2509 A CA 2.043 54.073 52.037 -0.012 0.000 0.725 2509 A CB -1.160 17.833 19.000 -0.012 0.000 0.784 2509 A HN 1.510 nan 8.150 nan 0.000 0.472 2510 S N -1.183 114.516 115.700 -0.003 0.000 2.465 2510 S HA 0.265 4.735 4.470 -0.000 0.000 0.241 2510 S C 0.958 175.559 174.600 0.003 0.000 1.000 2510 S CA 1.581 59.781 58.200 -0.000 0.000 0.964 2510 S CB -0.808 62.392 63.200 -0.000 0.000 0.763 2510 S HN 1.415 nan 8.310 nan 0.000 0.512 2511 L N 0.126 121.353 121.223 0.007 0.000 2.529 2511 L HA 0.743 5.083 4.340 -0.000 0.000 0.246 2511 L C 0.836 177.713 176.870 0.012 0.000 1.394 2511 L CA 0.381 55.227 54.840 0.010 0.000 0.906 2511 L CB -0.915 41.154 42.059 0.017 0.000 1.170 2511 L HN 0.433 nan 8.230 nan 0.000 0.501 2512 D N -0.196 120.207 120.400 0.005 0.000 2.239 2512 D HA 0.206 4.846 4.640 -0.000 0.000 0.202 2512 D C 1.693 177.995 176.300 0.003 0.000 0.993 2512 D CA 2.949 56.951 54.000 0.003 0.000 0.874 2512 D CB 0.152 40.950 40.800 -0.002 0.000 0.922 2512 D HN 2.525 nan 8.370 nan 0.000 0.464 2513 S N -3.453 112.248 115.700 0.001 0.000 1.473 2513 S HA 0.197 4.667 4.470 -0.000 0.000 0.249 2513 S C 1.434 176.027 174.600 -0.012 0.000 0.915 2513 S CA 1.592 59.789 58.200 -0.005 0.000 1.122 2513 S CB -1.696 61.497 63.200 -0.012 0.000 1.303 2513 S HN 1.607 nan 8.310 nan 0.000 0.516 2514 E N 0.048 120.242 120.200 -0.011 0.000 2.447 2514 E HA 0.755 5.105 4.350 -0.000 0.000 0.204 2514 E C 0.998 177.592 176.600 -0.010 0.000 0.977 2514 E CA 1.358 57.751 56.400 -0.012 0.000 0.950 2514 E CB -0.205 29.488 29.700 -0.012 0.000 0.975 2514 E HN 2.107 nan 8.360 nan 0.000 0.496 2515 S N 1.028 116.724 115.700 -0.007 0.000 2.485 2515 S HA 0.563 5.033 4.470 -0.000 0.000 0.312 2515 S C 0.281 174.878 174.600 -0.006 0.000 1.102 2515 S CA 0.359 58.556 58.200 -0.005 0.000 1.066 2515 S CB -0.614 62.584 63.200 -0.003 0.000 1.102 2515 S HN 0.668 nan 8.310 nan 0.000 0.519 2516 E N 1.224 121.419 120.200 -0.009 0.000 2.151 2516 E HA 0.762 5.112 4.350 -0.000 0.000 0.275 2516 E C 0.051 176.643 176.600 -0.014 0.000 0.936 2516 E CA -0.363 56.029 56.400 -0.013 0.000 0.777 2516 E CB 0.898 30.587 29.700 -0.018 0.000 1.108 2516 E HN 1.206 nan 8.360 nan 0.000 0.401 2517 S N 0.643 116.334 115.700 -0.015 0.000 2.840 2517 S HA 0.522 4.992 4.470 -0.000 0.000 0.307 2517 S C 1.052 175.638 174.600 -0.025 0.000 1.180 2517 S CA -0.358 57.833 58.200 -0.014 0.000 0.846 2517 S CB 0.664 63.861 63.200 -0.004 0.000 1.233 2517 S HN 0.512 nan 8.310 nan 0.000 0.548 2518 M N 0.820 120.413 119.600 -0.011 0.000 2.539 2518 M HA -0.044 4.436 4.480 -0.000 0.000 0.261 2518 M C 1.472 177.779 176.300 0.011 0.000 1.069 2518 M CA 0.892 56.185 55.300 -0.012 0.000 1.081 2518 M CB -0.771 31.862 32.600 0.055 0.000 1.412 2518 M HN 0.536 nan 8.290 nan 0.000 0.482 2519 V N -0.287 119.641 119.914 0.023 0.000 2.341 2519 V HA -0.185 3.935 4.120 -0.000 0.000 0.240 2519 V C 2.223 178.334 176.094 0.027 0.000 1.035 2519 V CA 1.461 63.789 62.300 0.045 0.000 1.033 2519 V CB -0.725 31.123 31.823 0.042 0.000 0.678 2519 V HN 0.452 nan 8.190 nan 0.000 0.464 2520 Q N 0.667 120.472 119.800 0.009 0.000 2.297 2520 Q HA -0.248 4.092 4.340 -0.000 0.000 0.208 2520 Q C 2.123 178.113 176.000 -0.017 0.000 0.981 2520 Q CA 1.701 57.506 55.803 0.003 0.000 0.876 2520 Q CB 0.028 28.765 28.738 -0.001 0.000 0.921 2520 Q HN 0.799 nan 8.270 nan 0.000 0.446 2521 K N -2.043 118.327 120.400 -0.050 0.000 2.361 2521 K HA 0.149 4.469 4.320 -0.000 0.000 0.196 2521 K C 1.614 178.148 176.600 -0.111 0.000 1.039 2521 K CA 0.758 56.980 56.287 -0.109 0.000 1.001 2521 K CB 0.153 32.538 32.500 -0.193 0.000 0.795 2521 K HN 0.055 nan 8.250 nan 0.000 0.495 2522 A N 1.008 123.811 122.820 -0.028 0.000 2.072 2522 A HA 0.084 4.404 4.320 -0.000 0.000 0.216 2522 A C 1.918 179.590 177.584 0.146 0.000 1.156 2522 A CA 0.323 52.428 52.037 0.115 0.000 0.701 2522 A CB -0.192 18.926 19.000 0.196 0.000 0.816 2522 A HN 0.236 nan 8.150 nan 0.000 0.458 2523 L N -0.123 121.135 121.223 0.060 0.000 2.131 2523 L HA -0.026 4.314 4.340 -0.000 0.000 0.206 2523 L C 1.371 178.247 176.870 0.009 0.000 1.087 2523 L CA 1.732 56.584 54.840 0.021 0.000 0.767 2523 L CB -0.439 41.632 42.059 0.020 0.000 0.917 2523 L HN 0.267 nan 8.230 nan 0.000 0.441 2524 D N -1.245 119.165 120.400 0.016 0.000 2.263 2524 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 2524 D C 2.271 178.602 176.300 0.052 0.000 0.971 2524 D CA 1.335 55.343 54.000 0.014 0.000 0.867 2524 D CB 0.076 40.871 40.800 -0.008 0.000 0.929 2524 D HN 0.463 nan 8.370 nan 0.000 0.492 2525 S N -0.341 115.430 115.700 0.118 0.000 2.478 2525 S HA -0.018 4.452 4.470 -0.000 0.000 0.222 2525 S C 1.816 176.576 174.600 0.266 0.000 1.008 2525 S CA -0.082 58.268 58.200 0.250 0.000 0.928 2525 S CB -0.119 63.325 63.200 0.406 0.000 0.781 2525 S HN 0.122 nan 8.310 nan 0.000 0.518 2526 L N 1.082 122.315 121.223 0.016 0.000 2.240 2526 L HA 0.372 4.712 4.340 -0.000 0.000 0.211 2526 L C 2.216 178.970 176.870 -0.194 0.000 1.106 2526 L CA 1.403 55.997 54.840 -0.409 0.000 0.793 2526 L CB -0.635 41.083 42.059 -0.569 0.000 0.927 2526 L HN 0.284 nan 8.230 nan 0.000 0.446 2527 M N -1.251 118.304 119.600 -0.075 0.000 2.476 2527 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 2527 M C 1.792 178.084 176.300 -0.013 0.000 1.079 2527 M CA 0.535 55.808 55.300 -0.045 0.000 1.104 2527 M CB -0.132 32.455 32.600 -0.022 0.000 1.409 2527 M HN 0.083 nan 8.290 nan 0.000 0.467 2528 K N 1.368 121.781 120.400 0.023 0.000 1.987 2528 K HA -0.172 4.148 4.320 -0.000 0.000 0.232 2528 K C 1.477 178.098 176.600 0.034 0.000 1.003 2528 K CA 2.173 58.489 56.287 0.049 0.000 1.066 2528 K CB -1.104 31.459 32.500 0.104 0.000 0.718 2528 K HN 0.308 nan 8.250 nan 0.000 0.477 2529 G N 0.509 109.336 108.800 0.045 0.000 3.279 2529 G HA2 0.058 4.018 3.960 -0.000 0.000 0.230 2529 G HA3 0.058 4.018 3.960 -0.000 0.000 0.230 2529 G C -0.238 174.670 174.900 0.013 0.000 1.230 2529 G CA -0.060 45.059 45.100 0.033 0.000 0.891 2529 G HN 0.202 nan 8.290 nan 0.000 0.518 2530 R N -1.002 119.496 120.500 -0.003 0.000 2.873 2530 R HA 0.474 4.814 4.340 -0.000 0.000 0.264 2530 R C -0.670 175.619 176.300 -0.018 0.000 1.026 2530 R CA -0.672 55.416 56.100 -0.022 0.000 1.002 2530 R CB 1.092 31.360 30.300 -0.054 0.000 1.174 2530 R HN -0.016 nan 8.270 nan 0.000 0.488 2531 T N 1.953 116.494 114.554 -0.021 0.000 2.992 2531 T HA 0.140 4.490 4.350 -0.000 0.000 0.299 2531 T C -0.159 174.522 174.700 -0.033 0.000 1.027 2531 T CA -0.107 61.987 62.100 -0.009 0.000 1.001 2531 T CB 0.169 69.042 68.868 0.007 0.000 1.005 2531 T HN 0.397 nan 8.240 nan 0.000 0.599 2532 T N 4.890 119.427 114.554 -0.029 0.000 2.909 2532 T HA 0.643 4.993 4.350 -0.000 0.000 0.286 2532 T C 0.043 174.727 174.700 -0.027 0.000 1.002 2532 T CA -0.774 61.300 62.100 -0.043 0.000 1.074 2532 T CB 0.473 69.320 68.868 -0.034 0.000 0.984 2532 T HN 0.511 nan 8.240 nan 0.000 0.495 2533 L N 0.244 121.451 121.223 -0.027 0.000 2.528 2533 L HA 0.753 5.093 4.340 -0.000 0.000 0.267 2533 L C -1.122 175.876 176.870 0.213 0.000 0.961 2533 L CA -1.215 53.669 54.840 0.072 0.000 0.866 2533 L CB 1.190 43.336 42.059 0.144 0.000 1.248 2533 L HN 0.275 nan 8.230 nan 0.000 0.404 2534 V N 3.163 123.198 119.914 0.203 0.000 2.581 2534 V HA 0.458 4.578 4.120 -0.000 0.000 0.303 2534 V C 0.279 176.502 176.094 0.216 0.000 1.041 2534 V CA -0.420 62.011 62.300 0.219 0.000 0.907 2534 V CB 2.624 34.504 31.823 0.095 0.000 0.994 2534 V HN 0.633 nan 8.190 nan 0.000 0.442 2535 I N 4.049 124.698 120.570 0.131 0.000 2.269 2535 I HA 0.368 4.538 4.170 -0.000 0.000 0.293 2535 I C 0.970 177.077 176.117 -0.017 0.000 1.106 2535 I CA -0.021 61.252 61.300 -0.044 0.000 1.248 2535 I CB 0.797 38.658 38.000 -0.231 0.000 1.444 2535 I HN 0.796 nan 8.210 nan 0.000 0.497 2536 A N 6.081 128.879 122.820 -0.036 0.000 2.498 2536 A HA 0.143 4.463 4.320 -0.000 0.000 0.239 2536 A C 0.582 178.083 177.584 -0.138 0.000 1.068 2536 A CA 0.476 52.500 52.037 -0.021 0.000 0.766 2536 A CB 0.051 19.055 19.000 0.007 0.000 1.003 2536 A HN 0.812 nan 8.150 nan 0.000 0.497 2537 H N 1.273 120.393 119.070 0.083 0.000 3.838 2537 H HA 0.119 4.675 4.556 -0.000 0.000 0.255 2537 H C -0.073 175.273 175.328 0.029 0.000 1.074 2537 H CA -0.033 56.060 56.048 0.076 0.000 1.143 2537 H CB 0.398 30.200 29.762 0.067 0.000 1.479 2537 H HN 0.710 nan 8.280 nan 0.000 0.644 2538 R N 2.222 122.802 120.500 0.134 0.000 2.267 2538 R HA 0.186 4.526 4.340 -0.000 0.000 0.319 2538 R C 1.273 177.582 176.300 0.015 0.000 1.067 2538 R CA -0.225 55.911 56.100 0.060 0.000 0.936 2538 R CB 1.285 31.613 30.300 0.047 0.000 1.006 2538 R HN 0.079 nan 8.270 nan 0.000 0.452 2539 L N 1.442 122.659 121.223 -0.009 0.000 2.089 2539 L HA -0.318 4.022 4.340 -0.000 0.000 0.213 2539 L C 2.317 179.139 176.870 -0.080 0.000 1.079 2539 L CA 1.866 56.679 54.840 -0.044 0.000 0.758 2539 L CB -0.789 41.246 42.059 -0.039 0.000 0.891 2539 L HN 0.687 nan 8.230 nan 0.000 0.433 2540 S N -1.454 114.211 115.700 -0.059 0.000 2.377 2540 S HA -0.133 4.337 4.470 -0.000 0.000 0.223 2540 S C 1.963 176.518 174.600 -0.076 0.000 1.030 2540 S CA 1.107 59.263 58.200 -0.074 0.000 0.970 2540 S CB -0.862 62.311 63.200 -0.045 0.000 0.830 2540 S HN 0.360 nan 8.310 nan 0.000 0.473 2541 T N 3.386 117.915 114.554 -0.041 0.000 2.653 2541 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 2541 T C 1.670 176.342 174.700 -0.046 0.000 1.037 2541 T CA 2.114 64.198 62.100 -0.027 0.000 1.159 2541 T CB -0.752 68.119 68.868 0.005 0.000 0.859 2541 T HN 0.460 nan 8.240 nan 0.000 0.449 2542 I N 0.775 121.303 120.570 -0.069 0.000 2.252 2542 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 2542 I C 2.318 178.345 176.117 -0.150 0.000 1.102 2542 I CA 0.833 62.087 61.300 -0.077 0.000 1.385 2542 I CB -0.444 37.515 38.000 -0.068 0.000 1.064 2542 I HN 0.087 nan 8.210 nan 0.000 0.414 2543 V N 0.499 120.249 119.914 -0.274 0.000 3.078 2543 V HA -0.202 3.918 4.120 -0.000 0.000 0.265 2543 V C 1.422 177.460 176.094 -0.093 0.000 1.122 2543 V CA 1.559 63.711 62.300 -0.248 0.000 1.141 2543 V CB -0.854 30.818 31.823 -0.252 0.000 0.735 2543 V HN 0.455 nan 8.190 nan 0.000 0.498 2544 D N 0.258 120.615 120.400 -0.072 0.000 2.463 2544 D HA 0.211 4.851 4.640 -0.000 0.000 0.237 2544 D C 1.308 177.590 176.300 -0.031 0.000 1.013 2544 D CA 0.747 54.723 54.000 -0.041 0.000 0.910 2544 D CB 0.155 40.933 40.800 -0.036 0.000 1.080 2544 D HN 0.417 nan 8.370 nan 0.000 0.498 2545 A N 1.915 124.715 122.820 -0.033 0.000 2.580 2545 A HA -0.081 4.239 4.320 -0.000 0.000 0.244 2545 A C 0.676 178.240 177.584 -0.032 0.000 1.045 2545 A CA 0.266 52.284 52.037 -0.032 0.000 0.761 2545 A CB 0.195 19.173 19.000 -0.037 0.000 0.962 2545 A HN -0.073 nan 8.150 nan 0.000 0.512 2546 D N 0.571 120.952 120.400 -0.031 0.000 2.264 2546 D HA 0.020 4.660 4.640 -0.000 0.000 0.208 2546 D C 0.597 176.867 176.300 -0.050 0.000 0.966 2546 D CA 1.687 55.669 54.000 -0.030 0.000 0.864 2546 D CB 0.085 40.876 40.800 -0.016 0.000 0.933 2546 D HN 0.632 nan 8.370 nan 0.000 0.499 2547 K N -0.471 119.883 120.400 -0.076 0.000 2.569 2547 K HA 0.402 4.722 4.320 -0.000 0.000 0.259 2547 K C -1.871 174.597 176.600 -0.221 0.000 0.932 2547 K CA -0.540 55.652 56.287 -0.159 0.000 0.833 2547 K CB 1.429 33.845 32.500 -0.139 0.000 1.340 2547 K HN -0.245 nan 8.250 nan 0.000 0.429 2548 I N 3.024 123.414 120.570 -0.300 0.000 2.693 2548 I HA 0.416 4.586 4.170 -0.000 0.000 0.303 2548 I C -1.280 174.581 176.117 -0.428 0.000 1.025 2548 I CA -0.493 60.672 61.300 -0.224 0.000 1.086 2548 I CB 1.557 39.568 38.000 0.018 0.000 1.268 2548 I HN 0.474 nan 8.210 nan 0.000 0.440 2549 Y N 4.777 125.010 120.300 -0.112 0.000 2.363 2549 Y HA 0.401 4.951 4.550 -0.000 0.000 0.325 2549 Y C -0.606 175.363 175.900 0.115 0.000 0.984 2549 Y CA -0.613 57.490 58.100 0.005 0.000 1.248 2549 Y CB 1.271 39.700 38.460 -0.051 0.000 1.116 2549 Y HN 0.323 nan 8.280 nan 0.000 0.470 2550 F N 5.065 125.051 119.950 0.061 0.000 2.438 2550 F HA 0.578 5.105 4.527 -0.000 0.000 0.356 2550 F C -0.808 174.986 175.800 -0.009 0.000 1.099 2550 F CA -1.365 56.592 58.000 -0.073 0.000 1.185 2550 F CB 0.264 39.220 39.000 -0.073 0.000 1.115 2550 F HN 0.311 nan 8.300 nan 0.000 0.526 2551 I N 5.615 125.947 120.570 -0.396 0.000 2.436 2551 I HA 0.310 4.480 4.170 -0.000 0.000 0.289 2551 I C -0.739 174.984 176.117 -0.657 0.000 1.010 2551 I CA -0.258 60.806 61.300 -0.394 0.000 1.098 2551 I CB 1.816 39.707 38.000 -0.183 0.000 1.266 2551 I HN 0.512 nan 8.210 nan 0.000 0.434 2552 E N 5.556 125.449 120.200 -0.512 0.000 2.222 2552 E HA 0.341 4.691 4.350 -0.000 0.000 0.267 2552 E C -0.529 175.941 176.600 -0.216 0.000 0.884 2552 E CA -1.007 55.139 56.400 -0.423 0.000 0.764 2552 E CB 1.439 30.898 29.700 -0.402 0.000 1.169 2552 E HN 0.255 nan 8.360 nan 0.000 0.413 2553 K N 1.446 121.749 120.400 -0.161 0.000 3.371 2553 K HA -0.296 4.024 4.320 -0.000 0.000 0.263 2553 K C 0.670 177.230 176.600 -0.067 0.000 0.829 2553 K CA 1.281 57.513 56.287 -0.092 0.000 0.606 2553 K CB -1.501 30.962 32.500 -0.063 0.000 1.552 2553 K HN 1.067 nan 8.250 nan 0.000 0.465 2554 G N -1.065 107.690 108.800 -0.074 0.000 2.231 2554 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.206 2554 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.206 2554 G C -0.115 174.768 174.900 -0.029 0.000 0.996 2554 G CA 0.007 45.082 45.100 -0.041 0.000 0.645 2554 G HN 0.405 nan 8.290 nan 0.000 0.498 2555 Q N -0.460 119.314 119.800 -0.044 0.000 2.423 2555 Q HA 0.666 5.006 4.340 -0.000 0.000 0.278 2555 Q C -0.375 175.623 176.000 -0.004 0.000 1.097 2555 Q CA -0.953 54.846 55.803 -0.006 0.000 0.809 2555 Q CB 2.389 31.130 28.738 0.006 0.000 1.391 2555 Q HN 0.278 nan 8.270 nan 0.000 0.428 2556 I N 2.277 122.892 120.570 0.075 0.000 2.329 2556 I HA 0.022 4.192 4.170 -0.000 0.000 0.295 2556 I C 0.681 176.900 176.117 0.170 0.000 1.109 2556 I CA 0.222 61.611 61.300 0.148 0.000 1.297 2556 I CB 0.738 38.894 38.000 0.260 0.000 1.433 2556 I HN 0.784 nan 8.210 nan 0.000 0.509 2557 T N 3.922 118.581 114.554 0.174 0.000 2.896 2557 T HA 0.042 4.392 4.350 -0.000 0.000 0.263 2557 T C 0.878 175.851 174.700 0.456 0.000 1.050 2557 T CA 0.604 62.871 62.100 0.278 0.000 1.140 2557 T CB 0.160 69.222 68.868 0.324 0.000 0.877 2557 T HN 0.735 nan 8.240 nan 0.000 0.457 2558 G N 0.577 109.651 108.800 0.456 0.000 2.612 2558 G HA2 0.532 4.492 3.960 -0.000 0.000 0.298 2558 G HA3 0.532 4.492 3.960 -0.000 0.000 0.298 2558 G C -1.179 173.782 174.900 0.101 0.000 1.336 2558 G CA -0.670 44.608 45.100 0.297 0.000 0.953 2558 G HN 0.222 nan 8.290 nan 0.000 0.482 2559 S N -0.214 115.448 115.700 -0.064 0.000 2.609 2559 S HA 0.839 5.309 4.470 -0.000 0.000 0.250 2559 S C -0.083 174.359 174.600 -0.264 0.000 1.112 2559 S CA 0.064 58.105 58.200 -0.265 0.000 1.102 2559 S CB 1.170 64.270 63.200 -0.167 0.000 1.124 2559 S HN 2.271 nan 8.310 nan 0.000 0.460 2560 G N 1.836 110.451 108.800 -0.310 0.000 2.321 2560 G HA2 0.395 4.355 3.960 -0.000 0.000 0.296 2560 G HA3 0.395 4.355 3.960 -0.000 0.000 0.296 2560 G C -1.778 173.008 174.900 -0.190 0.000 1.287 2560 G CA -0.972 43.993 45.100 -0.225 0.000 0.846 2560 G HN 0.718 nan 8.290 nan 0.000 0.508 2561 K N -0.842 119.472 120.400 -0.143 0.000 2.202 2561 K HA 0.367 4.687 4.320 -0.000 0.000 0.264 2561 K C 1.457 177.993 176.600 -0.107 0.000 1.010 2561 K CA -0.043 56.189 56.287 -0.092 0.000 0.940 2561 K CB 0.704 33.166 32.500 -0.065 0.000 0.983 2561 K HN 0.690 nan 8.250 nan 0.000 0.475 2562 H N 2.764 121.751 119.070 -0.138 0.000 2.255 2562 H HA -0.290 4.266 4.556 -0.000 0.000 0.290 2562 H C 1.636 176.803 175.328 -0.269 0.000 1.087 2562 H CA 3.031 58.974 56.048 -0.174 0.000 1.213 2562 H CB -0.172 29.545 29.762 -0.074 0.000 1.349 2562 H HN 0.873 nan 8.280 nan 0.000 0.487 2563 N N 0.642 119.236 118.700 -0.176 0.000 2.049 2563 N HA -0.256 4.484 4.740 -0.000 0.000 0.198 2563 N C 1.909 177.237 175.510 -0.303 0.000 1.030 2563 N CA 2.193 55.107 53.050 -0.227 0.000 0.870 2563 N CB -0.965 37.468 38.487 -0.090 0.000 1.045 2563 N HN 0.716 nan 8.380 nan 0.000 0.434 2564 E N 0.123 120.169 120.200 -0.256 0.000 2.038 2564 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 2564 E C 2.059 178.454 176.600 -0.341 0.000 1.000 2564 E CA 1.258 57.515 56.400 -0.239 0.000 0.803 2564 E CB -0.130 29.457 29.700 -0.189 0.000 0.750 2564 E HN 0.418 nan 8.360 nan 0.000 0.448 2565 L N 0.100 121.011 121.223 -0.520 0.000 2.291 2565 L HA -0.125 4.215 4.340 -0.000 0.000 0.214 2565 L C 2.181 178.557 176.870 -0.823 0.000 1.120 2565 L CA 0.257 54.643 54.840 -0.756 0.000 0.799 2565 L CB 0.070 41.527 42.059 -1.004 0.000 0.925 2565 L HN 0.067 nan 8.230 nan 0.000 0.446 2566 V N -0.679 118.751 119.914 -0.807 0.000 2.719 2566 V HA -0.106 4.014 4.120 -0.000 0.000 0.252 2566 V C 2.425 178.337 176.094 -0.303 0.000 1.065 2566 V CA 1.463 63.387 62.300 -0.627 0.000 1.086 2566 V CB -0.452 30.979 31.823 -0.653 0.000 0.700 2566 V HN 0.450 nan 8.190 nan 0.000 0.467 2567 A N 0.165 122.839 122.820 -0.242 0.000 1.871 2567 A HA -0.063 4.257 4.320 -0.000 0.000 0.211 2567 A C 2.369 179.911 177.584 -0.070 0.000 1.207 2567 A CA 1.683 53.642 52.037 -0.130 0.000 0.620 2567 A CB -0.780 18.151 19.000 -0.115 0.000 0.860 2567 A HN 0.440 nan 8.150 nan 0.000 0.450 2568 T N 0.129 114.651 114.554 -0.054 0.000 2.821 2568 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 2568 T C 0.546 175.348 174.700 0.171 0.000 1.046 2568 T CA 1.006 63.143 62.100 0.062 0.000 1.139 2568 T CB -0.391 68.534 68.868 0.096 0.000 0.871 2568 T HN 0.602 nan 8.240 nan 0.000 0.454 2569 H N 0.925 119.930 119.070 -0.108 0.000 2.638 2569 H HA 0.186 4.742 4.556 -0.000 0.000 0.303 2569 H C -1.863 173.445 175.328 -0.033 0.000 1.034 2569 H CA -2.265 53.755 56.048 -0.046 0.000 1.225 2569 H CB 1.854 31.605 29.762 -0.020 0.000 1.394 2569 H HN 0.076 nan 8.280 nan 0.000 0.477 2570 P HA -0.172 nan 4.420 nan 0.000 0.215 2570 P C 1.385 178.742 177.300 0.095 0.000 1.153 2570 P CA 0.764 63.898 63.100 0.058 0.000 0.853 2570 P CB 0.378 32.101 31.700 0.038 0.000 0.788 2571 L N -2.779 118.528 121.223 0.139 0.000 2.291 2571 L HA -0.116 4.224 4.340 -0.000 0.000 0.214 2571 L C 2.282 179.263 176.870 0.186 0.000 1.120 2571 L CA 1.402 56.364 54.840 0.205 0.000 0.799 2571 L CB -1.343 40.878 42.059 0.270 0.000 0.925 2571 L HN -0.018 nan 8.230 nan 0.000 0.446 2572 Y N 0.215 120.412 120.300 -0.171 0.000 2.220 2572 Y HA -0.146 4.404 4.550 -0.000 0.000 0.291 2572 Y C 2.407 178.164 175.900 -0.238 0.000 1.129 2572 Y CA 0.970 58.701 58.100 -0.616 0.000 1.161 2572 Y CB -0.437 37.667 38.460 -0.594 0.000 0.997 2572 Y HN 0.117 nan 8.280 nan 0.000 0.522 2573 A N 0.488 123.410 122.820 0.170 0.000 1.948 2573 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 2573 A C 2.310 179.964 177.584 0.116 0.000 1.177 2573 A CA 2.077 54.183 52.037 0.116 0.000 0.636 2573 A CB -0.662 18.360 19.000 0.038 0.000 0.815 2573 A HN 0.507 nan 8.150 nan 0.000 0.449 2574 K N -1.935 118.541 120.400 0.126 0.000 2.009 2574 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 2574 K C 1.989 178.678 176.600 0.147 0.000 1.049 2574 K CA 1.825 58.190 56.287 0.129 0.000 0.929 2574 K CB -0.414 32.180 32.500 0.156 0.000 0.714 2574 K HN 0.584 nan 8.250 nan 0.000 0.440 2575 Y N 1.398 121.740 120.300 0.070 0.000 2.165 2575 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 2575 Y C 2.008 177.932 175.900 0.039 0.000 1.155 2575 Y CA 1.134 59.272 58.100 0.063 0.000 1.164 2575 Y CB -0.380 38.123 38.460 0.071 0.000 0.978 2575 Y HN -0.212 nan 8.280 nan 0.000 0.513 2576 V N -0.275 119.652 119.914 0.022 0.000 2.515 2576 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 2576 V C 2.373 178.462 176.094 -0.008 0.000 1.058 2576 V CA 2.170 64.489 62.300 0.031 0.000 1.064 2576 V CB -0.725 31.247 31.823 0.248 0.000 0.675 2576 V HN 0.645 nan 8.190 nan 0.000 0.461 2577 S N -1.587 114.117 115.700 0.006 0.000 2.475 2577 S HA 0.084 4.554 4.470 -0.000 0.000 0.224 2577 S C 1.522 176.109 174.600 -0.023 0.000 1.042 2577 S CA 0.255 58.454 58.200 -0.001 0.000 0.935 2577 S CB 0.192 63.402 63.200 0.018 0.000 0.801 2577 S HN 0.658 nan 8.310 nan 0.000 0.509 2578 E N 1.565 121.749 120.200 -0.027 0.000 2.046 2578 E HA 0.107 4.457 4.350 -0.000 0.000 0.199 2578 E C 2.208 178.768 176.600 -0.066 0.000 0.948 2578 E CA 0.268 56.654 56.400 -0.024 0.000 0.876 2578 E CB -0.314 29.395 29.700 0.014 0.000 0.901 2578 E HN 0.354 nan 8.360 nan 0.000 0.479 2579 Q N 0.527 120.273 119.800 -0.090 0.000 2.217 2579 Q HA -0.207 4.133 4.340 -0.000 0.000 0.209 2579 Q C 2.183 178.057 176.000 -0.211 0.000 0.988 2579 Q CA 1.173 56.901 55.803 -0.125 0.000 0.878 2579 Q CB -0.021 28.659 28.738 -0.097 0.000 0.909 2579 Q HN 0.307 nan 8.270 nan 0.000 0.424 2580 L N -1.023 120.005 121.223 -0.325 0.000 2.121 2580 L HA -0.093 4.247 4.340 -0.000 0.000 0.200 2580 L C 2.311 179.112 176.870 -0.117 0.000 1.077 2580 L CA 1.159 55.842 54.840 -0.261 0.000 0.766 2580 L CB -0.430 41.428 42.059 -0.335 0.000 0.931 2580 L HN 0.196 nan 8.230 nan 0.000 0.452 2581 T N -0.875 113.623 114.554 -0.092 0.000 2.737 2581 T HA -0.090 4.260 4.350 -0.000 0.000 0.265 2581 T C 1.406 176.086 174.700 -0.033 0.000 1.038 2581 T CA 1.218 63.289 62.100 -0.048 0.000 1.144 2581 T CB 0.147 68.996 68.868 -0.031 0.000 0.866 2581 T HN 0.072 nan 8.240 nan 0.000 0.434 2582 V N -0.142 119.754 119.914 -0.031 0.000 3.276 2582 V HA 0.473 4.593 4.120 -0.000 0.000 0.319 2582 V C 0.867 176.952 176.094 -0.015 0.000 1.476 2582 V CA -0.023 62.266 62.300 -0.018 0.000 1.097 2582 V CB -0.190 31.627 31.823 -0.010 0.000 0.988 2582 V HN 0.708 nan 8.190 nan 0.000 0.473 2583 G N 0.000 108.785 108.800 -0.025 0.000 5.446 2583 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 2583 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 2583 G CA 0.000 45.093 45.100 -0.012 0.000 0.502 2583 G HN 0.000 nan 8.290 nan 0.000 0.925