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 1g50_1_C DATA FIRST_RESID 2304 DATA SEQUENCE NSLALSLTAD QMVSALLDAE PPILYSEYDP TRPFSEASMM GLLTNLADRE DATA SEQUENCE LVHMINWAKR VPGFVDLTLH DQVHLLECAW LEILMIGLVW RSMEHPGKLL DATA SEQUENCE FAPNLLLDRN QGKCVEGMVE IFDMLLATSS RFRMMNLQGE EFVCLKSIIL DATA SEQUENCE LNSGVYTFLS STLKSLEEKD HIHRVLDKIT DTLIHLMAKA GLTLQQQHQR DATA SEQUENCE LAQLLLILSH IRHMSNKGME HLYSMKCKNV VPLYDLLLEM LDAH 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 2304 N HA 0.000 nan 4.740 nan 0.000 0.220 2304 N C 0.000 175.492 175.510 -0.029 0.000 1.280 2304 N CA 0.000 53.039 53.050 -0.019 0.000 0.885 2304 N CB 0.000 38.451 38.487 -0.061 0.000 1.341 2305 S N -0.413 115.293 115.700 0.010 0.000 2.565 2305 S HA 0.366 4.837 4.470 0.000 0.000 0.269 2305 S C 0.321 174.942 174.600 0.035 0.000 1.153 2305 S CA -0.604 57.604 58.200 0.012 0.000 0.835 2305 S CB 0.386 63.588 63.200 0.004 0.000 1.122 2305 S HN 0.188 nan 8.310 nan 0.000 0.462 2306 L N 2.796 124.030 121.223 0.019 0.000 2.123 2306 L HA -0.002 4.339 4.340 0.000 0.000 0.217 2306 L C 2.369 179.253 176.870 0.022 0.000 1.081 2306 L CA 2.878 57.727 54.840 0.015 0.000 0.772 2306 L CB -1.681 40.381 42.059 0.006 0.000 0.890 2306 L HN 0.764 nan 8.230 nan 0.000 0.437 2307 A N 1.612 124.456 122.820 0.041 0.000 1.881 2307 A HA -0.216 4.104 4.320 0.000 0.000 0.219 2307 A C 2.073 179.670 177.584 0.022 0.000 1.215 2307 A CA 2.914 54.972 52.037 0.035 0.000 0.648 2307 A CB -1.455 17.588 19.000 0.071 0.000 0.832 2307 A HN 0.738 nan 8.150 nan 0.000 0.455 2308 L N -0.548 120.702 121.223 0.044 0.000 2.650 2308 L HA 0.214 4.554 4.340 0.000 0.000 0.235 2308 L C 1.342 178.225 176.870 0.021 0.000 1.149 2308 L CA 1.492 56.350 54.840 0.029 0.000 0.887 2308 L CB -0.951 41.138 42.059 0.051 0.000 1.021 2308 L HN 0.363 nan 8.230 nan 0.000 0.441 2309 S N -2.124 113.585 115.700 0.016 0.000 2.666 2309 S HA 0.401 4.872 4.470 0.000 0.000 0.239 2309 S C 0.359 174.961 174.600 0.004 0.000 1.031 2309 S CA -0.515 57.691 58.200 0.011 0.000 1.015 2309 S CB -0.364 62.842 63.200 0.011 0.000 0.981 2309 S HN 0.306 nan 8.310 nan 0.000 0.547 2310 L N 3.566 124.788 121.223 -0.002 0.000 2.380 2310 L HA 0.356 4.696 4.340 0.000 0.000 0.273 2310 L C 0.887 177.748 176.870 -0.015 0.000 1.138 2310 L CA -0.392 54.441 54.840 -0.011 0.000 0.832 2310 L CB 1.056 43.104 42.059 -0.019 0.000 1.124 2310 L HN 0.312 nan 8.230 nan 0.000 0.454 2311 T N 0.046 114.589 114.554 -0.018 0.000 2.930 2311 T HA 0.176 4.526 4.350 0.000 0.000 0.306 2311 T C 1.303 175.972 174.700 -0.053 0.000 1.045 2311 T CA -0.229 61.859 62.100 -0.020 0.000 1.134 2311 T CB 1.364 70.223 68.868 -0.015 0.000 0.961 2311 T HN 0.700 nan 8.240 nan 0.000 0.545 2312 A N 2.371 125.152 122.820 -0.065 0.000 2.093 2312 A HA -0.161 4.160 4.320 0.000 0.000 0.222 2312 A C 1.941 179.381 177.584 -0.240 0.000 1.162 2312 A CA 1.867 53.814 52.037 -0.150 0.000 0.655 2312 A CB -0.616 18.278 19.000 -0.177 0.000 0.805 2312 A HN 0.942 nan 8.150 nan 0.000 0.461 2313 D N -1.170 119.118 120.400 -0.188 0.000 2.301 2313 D HA -0.042 4.599 4.640 0.000 0.000 0.206 2313 D C 2.020 178.266 176.300 -0.089 0.000 0.979 2313 D CA 0.764 54.668 54.000 -0.160 0.000 0.874 2313 D CB -0.356 40.378 40.800 -0.110 0.000 0.968 2313 D HN 0.637 nan 8.370 nan 0.000 0.510 2314 Q N 0.257 120.018 119.800 -0.064 0.000 2.119 2314 Q HA -0.093 4.248 4.340 0.000 0.000 0.201 2314 Q C 2.091 178.061 176.000 -0.050 0.000 0.972 2314 Q CA 0.777 56.554 55.803 -0.043 0.000 0.847 2314 Q CB -0.116 28.603 28.738 -0.031 0.000 0.903 2314 Q HN 0.115 nan 8.270 nan 0.000 0.433 2315 M N 0.720 120.283 119.600 -0.062 0.000 2.110 2315 M HA -0.209 4.271 4.480 0.000 0.000 0.257 2315 M C 1.939 178.200 176.300 -0.064 0.000 1.071 2315 M CA 1.730 56.992 55.300 -0.064 0.000 1.096 2315 M CB -0.552 32.003 32.600 -0.074 0.000 1.300 2315 M HN 0.023 nan 8.290 nan 0.000 0.411 2316 V N -0.829 119.039 119.914 -0.077 0.000 2.220 2316 V HA -0.269 3.851 4.120 0.000 0.000 0.246 2316 V C 2.362 178.431 176.094 -0.042 0.000 1.049 2316 V CA 2.269 64.529 62.300 -0.065 0.000 1.003 2316 V CB -1.533 30.245 31.823 -0.076 0.000 0.634 2316 V HN 0.703 nan 8.190 nan 0.000 0.444 2317 S N -0.644 115.034 115.700 -0.036 0.000 2.528 2317 S HA -0.114 4.357 4.470 0.000 0.000 0.244 2317 S C 1.829 176.420 174.600 -0.015 0.000 0.982 2317 S CA 1.229 59.418 58.200 -0.019 0.000 0.953 2317 S CB -0.304 62.886 63.200 -0.016 0.000 0.754 2317 S HN 0.607 nan 8.310 nan 0.000 0.529 2318 A N 1.057 123.862 122.820 -0.026 0.000 1.861 2318 A HA 0.250 4.571 4.320 0.000 0.000 0.212 2318 A C 2.011 179.582 177.584 -0.022 0.000 1.199 2318 A CA 0.698 52.718 52.037 -0.028 0.000 0.613 2318 A CB -0.616 18.360 19.000 -0.041 0.000 0.846 2318 A HN 0.529 nan 8.150 nan 0.000 0.446 2319 L N -0.323 120.886 121.223 -0.023 0.000 2.141 2319 L HA -0.103 4.237 4.340 0.000 0.000 0.209 2319 L C 2.388 179.289 176.870 0.052 0.000 1.094 2319 L CA 0.705 55.552 54.840 0.012 0.000 0.763 2319 L CB -0.497 41.556 42.059 -0.010 0.000 0.908 2319 L HN 0.328 nan 8.230 nan 0.000 0.437 2320 L N -0.415 120.819 121.223 0.017 0.000 2.156 2320 L HA -0.168 4.172 4.340 0.000 0.000 0.208 2320 L C 2.244 179.139 176.870 0.042 0.000 1.095 2320 L CA 0.842 55.698 54.840 0.026 0.000 0.770 2320 L CB -0.390 41.676 42.059 0.013 0.000 0.914 2320 L HN 0.273 nan 8.230 nan 0.000 0.439 2321 D N 0.271 120.691 120.400 0.032 0.000 2.149 2321 D HA -0.133 4.507 4.640 0.000 0.000 0.201 2321 D C 2.161 178.494 176.300 0.056 0.000 0.972 2321 D CA 1.269 55.289 54.000 0.033 0.000 0.835 2321 D CB 0.245 41.053 40.800 0.015 0.000 0.966 2321 D HN 0.191 nan 8.370 nan 0.000 0.476 2322 A N 0.709 123.574 122.820 0.075 0.000 1.972 2322 A HA -0.123 4.197 4.320 0.000 0.000 0.219 2322 A C 1.070 178.823 177.584 0.281 0.000 1.169 2322 A CA 0.678 52.800 52.037 0.140 0.000 0.635 2322 A CB -0.509 18.538 19.000 0.078 0.000 0.810 2322 A HN 0.162 nan 8.150 nan 0.000 0.446 2323 E N 0.930 121.261 120.200 0.218 0.000 2.829 2323 E HA -0.026 4.324 4.350 0.000 0.000 0.264 2323 E C -2.069 174.585 176.600 0.089 0.000 0.922 2323 E CA -0.377 56.093 56.400 0.116 0.000 0.960 2323 E CB 0.122 29.856 29.700 0.057 0.000 0.918 2323 E HN 0.445 nan 8.360 nan 0.000 0.497 2324 P HA 0.265 nan 4.420 nan 0.000 0.279 2324 P C -2.427 174.905 177.300 0.052 0.000 1.252 2324 P CA -1.356 61.775 63.100 0.052 0.000 0.811 2324 P CB 0.113 31.858 31.700 0.075 0.000 1.035 2325 P HA 0.199 nan 4.420 nan 0.000 0.271 2325 P C 0.307 177.691 177.300 0.139 0.000 1.216 2325 P CA -0.012 63.137 63.100 0.081 0.000 0.776 2325 P CB 0.633 32.357 31.700 0.039 0.000 0.881 2326 I N 3.380 124.005 120.570 0.091 0.000 3.425 2326 I HA 0.029 4.199 4.170 0.000 0.000 0.298 2326 I C 1.140 177.288 176.117 0.053 0.000 1.278 2326 I CA -0.623 60.701 61.300 0.040 0.000 1.475 2326 I CB -1.055 36.925 38.000 -0.033 0.000 1.283 2326 I HN 0.276 nan 8.210 nan 0.000 0.540 2327 L N -0.665 120.658 121.223 0.166 0.000 2.837 2327 L HA -0.137 4.203 4.340 0.000 0.000 0.300 2327 L C -0.223 176.760 176.870 0.188 0.000 1.211 2327 L CA 0.326 55.302 54.840 0.228 0.000 0.890 2327 L CB -0.346 41.822 42.059 0.182 0.000 1.200 2327 L HN 0.114 nan 8.230 nan 0.000 0.492 2328 Y N 3.138 123.464 120.300 0.044 0.000 2.158 2328 Y HA 0.211 4.761 4.550 0.000 0.000 0.365 2328 Y C 1.378 177.297 175.900 0.032 0.000 1.301 2328 Y CA 0.380 58.501 58.100 0.034 0.000 1.735 2328 Y CB 0.290 38.775 38.460 0.042 0.000 1.509 2328 Y HN 0.889 nan 8.280 nan 0.000 0.657 2329 S N -0.824 115.017 115.700 0.234 0.000 2.589 2329 S HA 0.430 4.900 4.470 0.000 0.000 0.272 2329 S C -0.398 174.304 174.600 0.171 0.000 1.096 2329 S CA -0.085 58.207 58.200 0.153 0.000 0.985 2329 S CB 0.580 63.846 63.200 0.111 0.000 1.278 2329 S HN 0.660 nan 8.310 nan 0.000 0.528 2330 E N -0.312 119.991 120.200 0.173 0.000 3.315 2330 E HA 0.183 4.533 4.350 0.000 0.000 0.153 2330 E C -0.632 176.075 176.600 0.178 0.000 0.934 2330 E CA -0.593 55.899 56.400 0.153 0.000 1.426 2330 E CB -1.103 28.652 29.700 0.092 0.000 1.048 2330 E HN 0.590 nan 8.360 nan 0.000 0.422 2331 Y N 1.641 121.970 120.300 0.050 0.000 2.457 2331 Y HA 0.382 4.932 4.550 0.000 0.000 0.341 2331 Y C -0.358 175.603 175.900 0.102 0.000 1.240 2331 Y CA -0.362 57.770 58.100 0.054 0.000 1.437 2331 Y CB 0.701 39.177 38.460 0.027 0.000 1.328 2331 Y HN 0.109 nan 8.280 nan 0.000 0.588 2332 D N 3.777 123.994 120.400 -0.305 0.000 2.391 2332 D HA 0.288 4.928 4.640 0.000 0.000 0.245 2332 D C -2.515 173.557 176.300 -0.379 0.000 1.069 2332 D CA -2.373 51.408 54.000 -0.363 0.000 0.831 2332 D CB 2.029 42.771 40.800 -0.098 0.000 1.204 2332 D HN 0.419 nan 8.370 nan 0.000 0.503 2333 P HA -0.029 nan 4.420 nan 0.000 0.257 2333 P C 0.806 178.017 177.300 -0.149 0.000 1.241 2333 P CA 0.314 63.267 63.100 -0.245 0.000 0.816 2333 P CB 0.471 32.059 31.700 -0.186 0.000 1.150 2334 T N -1.873 112.603 114.554 -0.130 0.000 2.781 2334 T HA 0.071 4.422 4.350 0.000 0.000 0.252 2334 T C 1.281 175.938 174.700 -0.073 0.000 1.039 2334 T CA 0.367 62.416 62.100 -0.085 0.000 1.147 2334 T CB -0.515 68.314 68.868 -0.065 0.000 0.865 2334 T HN -0.029 nan 8.240 nan 0.000 0.423 2335 R N 3.127 123.596 120.500 -0.051 0.000 2.205 2335 R HA 0.354 4.695 4.340 0.000 0.000 0.342 2335 R C -2.386 173.899 176.300 -0.025 0.000 1.058 2335 R CA -2.199 53.885 56.100 -0.026 0.000 0.904 2335 R CB 0.715 31.018 30.300 0.006 0.000 1.089 2335 R HN 0.427 nan 8.270 nan 0.000 0.471 2336 P HA -0.197 nan 4.420 nan 0.000 0.272 2336 P C -0.538 176.777 177.300 0.025 0.000 1.225 2336 P CA 0.593 63.576 63.100 -0.196 0.000 0.800 2336 P CB 0.459 32.063 31.700 -0.160 0.000 0.894 2337 F N 0.008 119.965 119.950 0.012 0.000 2.541 2337 F HA 0.108 4.635 4.527 0.000 0.000 0.347 2337 F C 1.803 177.603 175.800 -0.000 0.000 1.242 2337 F CA -0.618 57.389 58.000 0.012 0.000 1.123 2337 F CB 0.031 39.043 39.000 0.021 0.000 1.354 2337 F HN 0.224 nan 8.300 nan 0.000 0.621 2338 S N 2.120 117.928 115.700 0.180 0.000 2.655 2338 S HA 0.030 4.500 4.470 0.000 0.000 0.265 2338 S C 1.440 176.083 174.600 0.072 0.000 1.240 2338 S CA -0.479 57.775 58.200 0.091 0.000 0.986 2338 S CB 1.349 64.584 63.200 0.058 0.000 0.985 2338 S HN 0.784 nan 8.310 nan 0.000 0.562 2339 E N 1.363 121.587 120.200 0.039 0.000 2.038 2339 E HA -0.150 4.200 4.350 0.000 0.000 0.195 2339 E C 2.034 178.647 176.600 0.021 0.000 1.000 2339 E CA 1.516 57.930 56.400 0.024 0.000 0.803 2339 E CB -0.588 29.117 29.700 0.009 0.000 0.750 2339 E HN 0.727 nan 8.360 nan 0.000 0.448 2340 A N 0.471 123.299 122.820 0.015 0.000 1.902 2340 A HA -0.202 4.118 4.320 0.000 0.000 0.217 2340 A C 2.380 179.973 177.584 0.016 0.000 1.181 2340 A CA 1.917 53.958 52.037 0.006 0.000 0.623 2340 A CB -1.027 17.972 19.000 -0.001 0.000 0.818 2340 A HN 0.369 nan 8.150 nan 0.000 0.443 2341 S N -0.931 114.791 115.700 0.037 0.000 2.359 2341 S HA -0.257 4.213 4.470 0.000 0.000 0.222 2341 S C 2.132 176.741 174.600 0.015 0.000 1.038 2341 S CA 2.091 60.323 58.200 0.054 0.000 1.051 2341 S CB -0.394 62.877 63.200 0.119 0.000 0.944 2341 S HN 0.592 nan 8.310 nan 0.000 0.433 2342 M N -0.123 119.468 119.600 -0.015 0.000 2.229 2342 M HA -0.037 4.443 4.480 0.000 0.000 0.264 2342 M C 2.008 178.262 176.300 -0.076 0.000 1.063 2342 M CA 1.266 56.489 55.300 -0.127 0.000 1.114 2342 M CB -0.134 32.367 32.600 -0.165 0.000 1.387 2342 M HN 0.342 nan 8.290 nan 0.000 0.420 2343 M N -0.040 119.552 119.600 -0.014 0.000 2.067 2343 M HA -0.080 4.401 4.480 0.000 0.000 0.260 2343 M C 2.302 178.621 176.300 0.032 0.000 1.069 2343 M CA 1.934 57.248 55.300 0.023 0.000 1.117 2343 M CB -1.918 30.705 32.600 0.038 0.000 1.334 2343 M HN 0.445 nan 8.290 nan 0.000 0.407 2344 G N 0.210 109.023 108.800 0.022 0.000 2.450 2344 G HA2 -0.196 3.764 3.960 0.000 0.000 0.220 2344 G HA3 -0.196 3.764 3.960 0.000 0.000 0.220 2344 G C 1.543 176.511 174.900 0.113 0.000 1.130 2344 G CA 0.367 45.498 45.100 0.051 0.000 0.760 2344 G HN 0.318 nan 8.290 nan 0.000 0.557 2345 L N 0.134 121.383 121.223 0.043 0.000 2.072 2345 L HA 0.181 4.521 4.340 0.000 0.000 0.205 2345 L C 2.805 179.686 176.870 0.019 0.000 1.079 2345 L CA 1.232 56.088 54.840 0.026 0.000 0.752 2345 L CB -0.678 41.347 42.059 -0.056 0.000 0.906 2345 L HN 0.235 nan 8.230 nan 0.000 0.436 2346 L N -0.748 120.464 121.223 -0.018 0.000 2.068 2346 L HA -0.162 4.178 4.340 0.000 0.000 0.204 2346 L C 2.545 179.490 176.870 0.125 0.000 1.076 2346 L CA 1.592 56.435 54.840 0.004 0.000 0.753 2346 L CB -0.988 41.033 42.059 -0.063 0.000 0.910 2346 L HN 0.324 nan 8.230 nan 0.000 0.439 2347 T N -2.582 112.074 114.554 0.171 0.000 2.803 2347 T HA -0.233 4.117 4.350 0.000 0.000 0.269 2347 T C 1.706 176.598 174.700 0.321 0.000 1.052 2347 T CA 1.561 63.819 62.100 0.263 0.000 1.136 2347 T CB -0.616 68.407 68.868 0.258 0.000 0.864 2347 T HN 0.364 nan 8.240 nan 0.000 0.467 2348 N N 1.260 120.151 118.700 0.318 0.000 2.106 2348 N HA -0.108 4.632 4.740 0.000 0.000 0.188 2348 N C 2.030 177.492 175.510 -0.081 0.000 1.029 2348 N CA 1.461 54.525 53.050 0.023 0.000 0.848 2348 N CB -0.435 38.118 38.487 0.110 0.000 1.007 2348 N HN 0.395 nan 8.380 nan 0.000 0.423 2349 L N 1.364 122.602 121.223 0.025 0.000 2.083 2349 L HA 0.002 4.342 4.340 0.000 0.000 0.209 2349 L C 2.391 179.274 176.870 0.022 0.000 1.083 2349 L CA 1.762 56.616 54.840 0.024 0.000 0.752 2349 L CB -1.020 41.087 42.059 0.080 0.000 0.899 2349 L HN 0.267 nan 8.230 nan 0.000 0.433 2350 A N -0.709 122.157 122.820 0.077 0.000 1.825 2350 A HA -0.256 4.064 4.320 0.000 0.000 0.214 2350 A C 2.167 179.778 177.584 0.045 0.000 1.206 2350 A CA 1.632 53.736 52.037 0.112 0.000 0.609 2350 A CB -1.283 17.848 19.000 0.218 0.000 0.851 2350 A HN 0.553 nan 8.150 nan 0.000 0.445 2351 D N -0.396 120.012 120.400 0.014 0.000 2.192 2351 D HA -0.250 4.390 4.640 0.000 0.000 0.189 2351 D C 2.130 178.353 176.300 -0.129 0.000 1.007 2351 D CA 1.939 55.895 54.000 -0.072 0.000 0.859 2351 D CB -0.229 40.459 40.800 -0.187 0.000 0.936 2351 D HN 0.455 nan 8.370 nan 0.000 0.447 2352 R N 0.147 120.538 120.500 -0.182 0.000 2.070 2352 R HA -0.121 4.219 4.340 0.000 0.000 0.232 2352 R C 2.567 178.699 176.300 -0.279 0.000 1.138 2352 R CA 1.384 57.353 56.100 -0.218 0.000 0.936 2352 R CB -0.490 29.690 30.300 -0.199 0.000 0.839 2352 R HN 0.357 nan 8.270 nan 0.000 0.429 2353 E N 0.711 120.791 120.200 -0.200 0.000 2.209 2353 E HA -0.197 4.153 4.350 0.000 0.000 0.196 2353 E C 1.250 177.800 176.600 -0.084 0.000 0.993 2353 E CA 0.681 56.976 56.400 -0.175 0.000 0.819 2353 E CB 0.061 29.729 29.700 -0.054 0.000 0.745 2353 E HN 0.051 nan 8.360 nan 0.000 0.477 2354 L N 0.321 121.525 121.223 -0.031 0.000 2.693 2354 L HA 0.007 4.347 4.340 0.000 0.000 0.242 2354 L C 1.034 177.915 176.870 0.018 0.000 1.157 2354 L CA 0.470 55.336 54.840 0.044 0.000 0.929 2354 L CB 0.550 42.649 42.059 0.066 0.000 1.103 2354 L HN -0.005 nan 8.230 nan 0.000 0.430 2355 V N -2.194 117.706 119.914 -0.024 0.000 3.219 2355 V HA -0.025 4.095 4.120 0.000 0.000 0.240 2355 V C 1.856 178.044 176.094 0.155 0.000 1.222 2355 V CA 0.550 62.868 62.300 0.029 0.000 1.181 2355 V CB -0.159 31.654 31.823 -0.017 0.000 0.941 2355 V HN 0.487 nan 8.190 nan 0.000 0.471 2356 H N -0.587 118.518 119.070 0.057 0.000 2.495 2356 H HA -0.018 4.538 4.556 0.000 0.000 0.287 2356 H C 2.203 177.600 175.328 0.114 0.000 1.033 2356 H CA 1.363 57.455 56.048 0.073 0.000 1.307 2356 H CB 0.267 30.061 29.762 0.054 0.000 1.401 2356 H HN 0.304 nan 8.280 nan 0.000 0.555 2357 M N 0.912 120.644 119.600 0.220 0.000 2.175 2357 M HA -0.135 4.345 4.480 0.000 0.000 0.264 2357 M C 1.793 178.262 176.300 0.281 0.000 1.063 2357 M CA 1.474 56.912 55.300 0.229 0.000 1.119 2357 M CB 0.033 32.727 32.600 0.157 0.000 1.377 2357 M HN 0.237 nan 8.290 nan 0.000 0.415 2358 I N 0.702 121.388 120.570 0.192 0.000 2.127 2358 I HA -0.381 3.789 4.170 0.000 0.000 0.241 2358 I C 1.840 178.033 176.117 0.126 0.000 1.075 2358 I CA 1.966 63.354 61.300 0.147 0.000 1.334 2358 I CB -0.994 37.073 38.000 0.113 0.000 1.040 2358 I HN 0.467 nan 8.210 nan 0.000 0.405 2359 N N -0.129 118.656 118.700 0.141 0.000 2.104 2359 N HA -0.264 4.476 4.740 0.000 0.000 0.190 2359 N C 1.743 177.309 175.510 0.093 0.000 1.024 2359 N CA 1.458 54.571 53.050 0.105 0.000 0.853 2359 N CB -0.313 38.235 38.487 0.102 0.000 1.008 2359 N HN 0.426 nan 8.380 nan 0.000 0.424 2360 W N 2.415 123.698 121.300 -0.027 0.000 2.332 2360 W HA -0.205 4.455 4.660 0.000 0.000 0.321 2360 W C 2.490 178.923 176.519 -0.144 0.000 1.219 2360 W CA 2.012 59.315 57.345 -0.069 0.000 1.277 2360 W CB -0.692 28.730 29.460 -0.064 0.000 1.161 2360 W HN 0.034 nan 8.180 nan 0.000 0.476 2361 A N 0.889 123.527 122.820 -0.303 0.000 1.896 2361 A HA -0.356 3.964 4.320 0.000 0.000 0.220 2361 A C 1.889 178.954 177.584 -0.865 0.000 1.206 2361 A CA 2.868 54.355 52.037 -0.917 0.000 0.647 2361 A CB -1.148 17.484 19.000 -0.612 0.000 0.828 2361 A HN 0.300 nan 8.150 nan 0.000 0.455 2362 K N -0.481 119.765 120.400 -0.256 0.000 2.218 2362 K HA -0.109 4.211 4.320 0.000 0.000 0.205 2362 K C 2.068 178.649 176.600 -0.032 0.000 1.046 2362 K CA 1.603 57.930 56.287 0.066 0.000 0.933 2362 K CB -0.217 32.330 32.500 0.078 0.000 0.728 2362 K HN 0.585 nan 8.250 nan 0.000 0.454 2363 R N -0.333 120.035 120.500 -0.220 0.000 2.200 2363 R HA 0.094 4.434 4.340 0.000 0.000 0.208 2363 R C 0.045 176.178 176.300 -0.279 0.000 1.033 2363 R CA 0.033 56.010 56.100 -0.205 0.000 1.000 2363 R CB 0.126 30.318 30.300 -0.181 0.000 0.906 2363 R HN -0.083 nan 8.270 nan 0.000 0.462 2364 V N 4.065 123.671 119.914 -0.512 0.000 2.617 2364 V HA -0.001 4.119 4.120 0.000 0.000 0.304 2364 V C -2.037 173.967 176.094 -0.149 0.000 1.040 2364 V CA -0.963 61.068 62.300 -0.448 0.000 1.149 2364 V CB 0.443 31.842 31.823 -0.706 0.000 0.914 2364 V HN 0.032 nan 8.190 nan 0.000 0.487 2365 P HA 0.150 nan 4.420 nan 0.000 0.262 2365 P C 1.015 178.327 177.300 0.020 0.000 1.182 2365 P CA 1.542 64.624 63.100 -0.030 0.000 0.761 2365 P CB 0.474 32.148 31.700 -0.044 0.000 0.795 2366 G N 2.464 111.313 108.800 0.082 0.000 2.245 2366 G HA2 -0.395 3.566 3.960 0.000 0.000 0.264 2366 G HA3 -0.395 3.566 3.960 0.000 0.000 0.264 2366 G C 0.885 175.924 174.900 0.232 0.000 0.985 2366 G CA 0.371 45.585 45.100 0.189 0.000 0.625 2366 G HN 0.508 nan 8.290 nan 0.000 0.536 2367 F N 2.071 122.018 119.950 -0.006 0.000 2.102 2367 F HA 0.018 4.545 4.527 0.000 0.000 0.298 2367 F C 2.621 178.420 175.800 -0.003 0.000 1.105 2367 F CA 2.765 60.751 58.000 -0.023 0.000 1.239 2367 F CB -0.315 38.613 39.000 -0.121 0.000 0.991 2367 F HN 0.480 nan 8.300 nan 0.000 0.474 2368 V N -2.467 117.415 119.914 -0.052 0.000 3.510 2368 V HA -0.043 4.077 4.120 0.000 0.000 0.270 2368 V C 0.998 177.001 176.094 -0.151 0.000 1.201 2368 V CA 1.401 63.606 62.300 -0.159 0.000 1.166 2368 V CB -0.964 30.844 31.823 -0.025 0.000 0.825 2368 V HN 0.211 nan 8.190 nan 0.000 0.484 2369 D N 0.813 121.151 120.400 -0.103 0.000 2.349 2369 D HA 0.240 4.880 4.640 0.000 0.000 0.224 2369 D C 0.645 176.825 176.300 -0.201 0.000 1.029 2369 D CA 0.391 54.299 54.000 -0.153 0.000 0.879 2369 D CB 0.374 41.049 40.800 -0.208 0.000 0.906 2369 D HN 0.460 nan 8.370 nan 0.000 0.528 2370 L N 0.421 121.518 121.223 -0.209 0.000 2.387 2370 L HA 0.232 4.572 4.340 0.000 0.000 0.266 2370 L C 0.812 177.538 176.870 -0.240 0.000 1.059 2370 L CA -0.786 53.920 54.840 -0.223 0.000 0.801 2370 L CB 1.114 43.002 42.059 -0.284 0.000 1.223 2370 L HN -0.137 nan 8.230 nan 0.000 0.456 2371 T N -1.074 113.347 114.554 -0.221 0.000 2.870 2371 T HA 0.196 4.546 4.350 0.000 0.000 0.300 2371 T C 1.506 176.096 174.700 -0.184 0.000 0.989 2371 T CA -0.602 61.395 62.100 -0.172 0.000 1.139 2371 T CB 0.522 69.302 68.868 -0.147 0.000 0.920 2371 T HN 0.432 nan 8.240 nan 0.000 0.537 2372 L N 1.367 122.501 121.223 -0.148 0.000 2.010 2372 L HA -0.279 4.061 4.340 0.000 0.000 0.219 2372 L C 2.656 179.415 176.870 -0.185 0.000 1.077 2372 L CA 2.053 56.786 54.840 -0.178 0.000 0.773 2372 L CB -0.985 40.966 42.059 -0.180 0.000 0.892 2372 L HN 0.806 nan 8.230 nan 0.000 0.436 2373 H N -0.653 118.348 119.070 -0.115 0.000 2.422 2373 H HA -0.174 4.382 4.556 0.000 0.000 0.298 2373 H C 1.926 177.184 175.328 -0.116 0.000 1.098 2373 H CA 1.805 57.799 56.048 -0.090 0.000 1.315 2373 H CB -0.114 29.594 29.762 -0.089 0.000 1.382 2373 H HN 0.386 nan 8.280 nan 0.000 0.523 2374 D N -0.412 119.895 120.400 -0.155 0.000 2.183 2374 D HA -0.095 4.545 4.640 0.000 0.000 0.203 2374 D C 1.967 178.180 176.300 -0.146 0.000 0.969 2374 D CA 0.704 54.476 54.000 -0.380 0.000 0.842 2374 D CB 0.043 40.358 40.800 -0.810 0.000 0.957 2374 D HN 0.444 nan 8.370 nan 0.000 0.484 2375 Q N 0.082 119.768 119.800 -0.191 0.000 2.050 2375 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 2375 Q C 2.249 178.375 176.000 0.211 0.000 0.980 2375 Q CA 1.061 56.754 55.803 -0.185 0.000 0.840 2375 Q CB -0.037 28.424 28.738 -0.461 0.000 0.898 2375 Q HN 0.209 nan 8.270 nan 0.000 0.424 2376 V N 0.904 120.885 119.914 0.112 0.000 2.220 2376 V HA -0.336 3.784 4.120 0.000 0.000 0.246 2376 V C 2.339 178.560 176.094 0.212 0.000 1.049 2376 V CA 2.250 64.635 62.300 0.142 0.000 1.003 2376 V CB -1.139 30.711 31.823 0.046 0.000 0.634 2376 V HN 0.530 nan 8.190 nan 0.000 0.444 2377 H N 0.492 119.621 119.070 0.098 0.000 2.297 2377 H HA -0.240 4.316 4.556 0.000 0.000 0.289 2377 H C 2.235 177.696 175.328 0.222 0.000 1.105 2377 H CA 2.697 58.826 56.048 0.135 0.000 1.219 2377 H CB -0.473 29.339 29.762 0.084 0.000 1.351 2377 H HN 0.342 nan 8.280 nan 0.000 0.481 2378 L N -0.013 121.563 121.223 0.588 0.000 2.013 2378 L HA -0.253 4.088 4.340 0.000 0.000 0.212 2378 L C 3.161 180.251 176.870 0.367 0.000 1.073 2378 L CA 1.335 56.494 54.840 0.532 0.000 0.753 2378 L CB -0.559 41.832 42.059 0.554 0.000 0.890 2378 L HN 0.235 nan 8.230 nan 0.000 0.432 2379 L N -0.177 121.257 121.223 0.351 0.000 1.955 2379 L HA -0.243 4.097 4.340 0.000 0.000 0.213 2379 L C 2.734 179.804 176.870 0.333 0.000 1.072 2379 L CA 1.931 56.953 54.840 0.304 0.000 0.755 2379 L CB -0.763 41.456 42.059 0.266 0.000 0.888 2379 L HN 0.393 nan 8.230 nan 0.000 0.432 2380 E N -0.778 119.574 120.200 0.253 0.000 2.333 2380 E HA -0.267 4.083 4.350 0.000 0.000 0.198 2380 E C 2.138 179.002 176.600 0.440 0.000 1.007 2380 E CA 1.420 57.992 56.400 0.288 0.000 0.845 2380 E CB -0.545 29.213 29.700 0.096 0.000 0.766 2380 E HN 0.521 nan 8.360 nan 0.000 0.507 2381 C N -0.031 119.406 119.300 0.227 0.000 2.563 2381 C HA 0.426 4.887 4.460 0.000 0.000 0.268 2381 C C 2.059 177.192 174.990 0.238 0.000 1.365 2381 C CA 0.734 59.826 59.018 0.123 0.000 1.754 2381 C CB -0.632 27.100 27.740 -0.012 0.000 1.932 2381 C HN 0.606 nan 8.230 nan 0.000 0.536 2382 A N -0.453 122.533 122.820 0.276 0.000 2.600 2382 A HA 0.211 4.531 4.320 0.000 0.000 0.252 2382 A C 1.579 179.220 177.584 0.094 0.000 1.200 2382 A CA 0.245 52.374 52.037 0.154 0.000 0.981 2382 A CB -0.705 18.381 19.000 0.145 0.000 1.207 2382 A HN 0.776 nan 8.150 nan 0.000 0.577 2383 W N 0.109 121.483 121.300 0.123 0.000 2.290 2383 W HA -0.304 4.356 4.660 0.000 0.000 0.323 2383 W C 1.142 177.689 176.519 0.048 0.000 1.260 2383 W CA 1.706 59.103 57.345 0.087 0.000 1.266 2383 W CB -1.320 28.195 29.460 0.092 0.000 1.149 2383 W HN 0.317 nan 8.180 nan 0.000 0.482 2384 L N 1.725 122.114 121.223 -1.390 0.000 2.056 2384 L HA -0.102 4.238 4.340 0.000 0.000 0.207 2384 L C 2.781 179.343 176.870 -0.514 0.000 1.078 2384 L CA 2.622 56.719 54.840 -1.238 0.000 0.749 2384 L CB -1.185 39.937 42.059 -1.562 0.000 0.901 2384 L HN 0.116 nan 8.230 nan 0.000 0.433 2385 E N -0.518 119.462 120.200 -0.366 0.000 2.171 2385 E HA -0.249 4.101 4.350 0.000 0.000 0.197 2385 E C 2.120 178.655 176.600 -0.109 0.000 0.997 2385 E CA 1.776 58.075 56.400 -0.169 0.000 0.810 2385 E CB -0.124 29.529 29.700 -0.078 0.000 0.738 2385 E HN 0.646 nan 8.360 nan 0.000 0.467 2386 I N 0.162 120.671 120.570 -0.102 0.000 2.296 2386 I HA -0.223 3.947 4.170 0.000 0.000 0.242 2386 I C 2.366 178.417 176.117 -0.111 0.000 1.087 2386 I CA 0.450 61.695 61.300 -0.093 0.000 1.393 2386 I CB -0.238 37.716 38.000 -0.076 0.000 1.093 2386 I HN 0.142 nan 8.210 nan 0.000 0.421 2387 L N 0.189 121.346 121.223 -0.110 0.000 2.103 2387 L HA -0.308 4.033 4.340 0.000 0.000 0.215 2387 L C 2.616 179.409 176.870 -0.127 0.000 1.080 2387 L CA 1.749 56.531 54.840 -0.096 0.000 0.764 2387 L CB -0.305 41.710 42.059 -0.072 0.000 0.890 2387 L HN 0.351 nan 8.230 nan 0.000 0.435 2388 M N -1.430 118.084 119.600 -0.144 0.000 2.160 2388 M HA -0.179 4.301 4.480 0.000 0.000 0.264 2388 M C 2.307 178.562 176.300 -0.075 0.000 1.073 2388 M CA 1.421 56.632 55.300 -0.148 0.000 1.142 2388 M CB -0.227 32.282 32.600 -0.151 0.000 1.358 2388 M HN 0.194 nan 8.290 nan 0.000 0.422 2389 I N 0.577 121.153 120.570 0.010 0.000 2.335 2389 I HA -0.214 3.956 4.170 0.000 0.000 0.251 2389 I C 2.091 178.390 176.117 0.303 0.000 1.129 2389 I CA 1.486 62.896 61.300 0.182 0.000 1.402 2389 I CB -0.256 37.889 38.000 0.241 0.000 1.069 2389 I HN 0.291 nan 8.210 nan 0.000 0.424 2390 G N 0.947 109.856 108.800 0.182 0.000 2.434 2390 G HA2 -0.291 3.669 3.960 0.000 0.000 0.214 2390 G HA3 -0.291 3.669 3.960 0.000 0.000 0.214 2390 G C 1.509 176.428 174.900 0.033 0.000 1.202 2390 G CA 0.782 46.001 45.100 0.199 0.000 0.788 2390 G HN 0.408 nan 8.290 nan 0.000 0.539 2391 L N 1.043 122.193 121.223 -0.121 0.000 2.034 2391 L HA -0.167 4.174 4.340 0.000 0.000 0.217 2391 L C 2.817 179.534 176.870 -0.255 0.000 1.077 2391 L CA 1.986 56.644 54.840 -0.303 0.000 0.769 2391 L CB -0.758 40.990 42.059 -0.519 0.000 0.890 2391 L HN 0.089 nan 8.230 nan 0.000 0.435 2392 V N -0.781 119.037 119.914 -0.159 0.000 2.407 2392 V HA -0.313 3.807 4.120 0.000 0.000 0.248 2392 V C 2.185 178.287 176.094 0.013 0.000 1.055 2392 V CA 2.167 64.396 62.300 -0.120 0.000 1.049 2392 V CB -1.029 30.703 31.823 -0.151 0.000 0.662 2392 V HN 0.790 nan 8.190 nan 0.000 0.455 2393 W N 1.400 122.620 121.300 -0.134 0.000 2.381 2393 W HA -0.147 4.513 4.660 0.000 0.000 0.301 2393 W C 2.421 178.768 176.519 -0.288 0.000 1.205 2393 W CA 1.333 58.498 57.345 -0.300 0.000 1.285 2393 W CB -0.205 28.688 29.460 -0.944 0.000 1.133 2393 W HN 0.166 nan 8.180 nan 0.000 0.521 2394 R N 0.299 120.662 120.500 -0.228 0.000 2.328 2394 R HA -0.067 4.273 4.340 0.000 0.000 0.207 2394 R C 1.922 178.003 176.300 -0.364 0.000 1.056 2394 R CA 1.300 57.210 56.100 -0.317 0.000 1.016 2394 R CB -0.143 30.016 30.300 -0.235 0.000 0.872 2394 R HN 0.028 nan 8.270 nan 0.000 0.471 2395 S N -0.258 115.262 115.700 -0.300 0.000 2.512 2395 S HA 0.109 4.579 4.470 0.000 0.000 0.216 2395 S C 1.582 176.092 174.600 -0.149 0.000 1.006 2395 S CA -0.310 57.751 58.200 -0.233 0.000 0.915 2395 S CB 0.267 63.337 63.200 -0.217 0.000 0.824 2395 S HN 0.134 nan 8.310 nan 0.000 0.497 2396 M N 2.225 121.692 119.600 -0.222 0.000 2.758 2396 M HA -0.303 4.178 4.480 0.000 0.000 0.262 2396 M C 1.888 178.114 176.300 -0.124 0.000 1.052 2396 M CA 2.028 57.208 55.300 -0.199 0.000 1.059 2396 M CB -1.157 31.172 32.600 -0.452 0.000 1.265 2396 M HN 0.412 nan 8.290 nan 0.000 0.486 2397 E N -1.014 119.118 120.200 -0.113 0.000 1.998 2397 E HA -0.161 4.189 4.350 0.000 0.000 0.196 2397 E C 0.574 177.140 176.600 -0.057 0.000 1.003 2397 E CA 0.959 57.303 56.400 -0.093 0.000 0.829 2397 E CB -0.510 29.100 29.700 -0.150 0.000 0.777 2397 E HN 0.571 nan 8.360 nan 0.000 0.460 2398 H N 2.252 121.243 119.070 -0.131 0.000 3.342 2398 H HA 0.013 4.569 4.556 0.000 0.000 0.233 2398 H C -2.062 173.216 175.328 -0.083 0.000 0.967 2398 H CA -1.239 54.752 56.048 -0.096 0.000 1.404 2398 H CB -1.004 28.700 29.762 -0.097 0.000 1.560 2398 H HN 0.161 nan 8.280 nan 0.000 0.510 2399 P HA 0.062 nan 4.420 nan 0.000 0.271 2399 P C 0.992 178.300 177.300 0.012 0.000 1.218 2399 P CA 0.239 63.338 63.100 -0.003 0.000 0.780 2399 P CB 1.141 32.829 31.700 -0.021 0.000 0.901 2400 G N 1.739 110.543 108.800 0.007 0.000 2.180 2400 G HA2 -0.269 3.691 3.960 0.000 0.000 0.263 2400 G HA3 -0.269 3.691 3.960 0.000 0.000 0.263 2400 G C -0.086 174.836 174.900 0.038 0.000 0.989 2400 G CA 0.476 45.590 45.100 0.023 0.000 0.692 2400 G HN 0.658 nan 8.290 nan 0.000 0.526 2401 K N -0.651 119.763 120.400 0.022 0.000 2.468 2401 K HA 0.598 4.918 4.320 0.000 0.000 0.252 2401 K C -0.399 176.172 176.600 -0.049 0.000 0.932 2401 K CA -0.923 55.376 56.287 0.020 0.000 0.794 2401 K CB 2.064 34.592 32.500 0.047 0.000 1.241 2401 K HN 0.070 nan 8.250 nan 0.000 0.428 2402 L N 3.913 125.093 121.223 -0.071 0.000 2.259 2402 L HA 0.335 4.675 4.340 0.000 0.000 0.288 2402 L C 0.009 176.798 176.870 -0.134 0.000 1.051 2402 L CA -0.596 54.131 54.840 -0.188 0.000 0.824 2402 L CB 0.645 42.526 42.059 -0.296 0.000 1.206 2402 L HN 0.468 nan 8.230 nan 0.000 0.429 2403 L N 3.701 124.771 121.223 -0.256 0.000 2.382 2403 L HA 0.079 4.420 4.340 0.000 0.000 0.259 2403 L C 0.838 177.563 176.870 -0.241 0.000 1.291 2403 L CA -0.028 54.655 54.840 -0.263 0.000 1.176 2403 L CB -0.112 41.673 42.059 -0.457 0.000 1.373 2403 L HN 0.536 nan 8.230 nan 0.000 0.426 2404 F N 2.202 122.005 119.950 -0.245 0.000 2.046 2404 F HA -0.135 4.392 4.527 0.000 0.000 0.297 2404 F C 1.577 177.261 175.800 -0.193 0.000 1.123 2404 F CA 1.461 59.339 58.000 -0.204 0.000 1.199 2404 F CB -0.299 38.588 39.000 -0.188 0.000 0.972 2404 F HN 0.464 nan 8.300 nan 0.000 0.474 2405 A N -1.745 121.066 122.820 -0.014 0.000 2.479 2405 A HA 0.556 4.876 4.320 0.000 0.000 0.296 2405 A C -2.014 175.442 177.584 -0.213 0.000 1.121 2405 A CA -1.244 50.714 52.037 -0.133 0.000 0.743 2405 A CB 0.655 19.605 19.000 -0.084 0.000 1.323 2405 A HN -0.075 nan 8.150 nan 0.000 0.415 2406 P HA -0.114 nan 4.420 nan 0.000 0.217 2406 P C 0.683 177.880 177.300 -0.172 0.000 1.150 2406 P CA 1.803 64.744 63.100 -0.266 0.000 0.832 2406 P CB 0.055 31.532 31.700 -0.372 0.000 0.787 2407 N N -1.408 117.206 118.700 -0.143 0.000 2.336 2407 N HA 0.050 4.790 4.740 0.000 0.000 0.189 2407 N C 0.006 175.248 175.510 -0.446 0.000 1.113 2407 N CA 0.218 53.204 53.050 -0.107 0.000 0.858 2407 N CB -0.416 38.154 38.487 0.138 0.000 0.970 2407 N HN 0.048 nan 8.380 nan 0.000 0.471 2408 L N 1.091 122.098 121.223 -0.360 0.000 2.462 2408 L HA 0.475 4.816 4.340 0.000 0.000 0.255 2408 L C -1.458 175.273 176.870 -0.232 0.000 1.076 2408 L CA -0.691 53.880 54.840 -0.449 0.000 0.920 2408 L CB 0.969 42.870 42.059 -0.264 0.000 1.214 2408 L HN 0.049 nan 8.230 nan 0.000 0.472 2409 L N 4.959 126.051 121.223 -0.219 0.000 2.307 2409 L HA 0.641 4.982 4.340 0.000 0.000 0.284 2409 L C -1.170 175.687 176.870 -0.022 0.000 1.023 2409 L CA -0.390 54.397 54.840 -0.088 0.000 0.810 2409 L CB 1.659 43.674 42.059 -0.073 0.000 1.231 2409 L HN 0.527 nan 8.230 nan 0.000 0.423 2410 L N 3.392 124.640 121.223 0.042 0.000 2.350 2410 L HA 0.572 4.912 4.340 0.000 0.000 0.260 2410 L C -1.061 175.895 176.870 0.144 0.000 1.015 2410 L CA -0.904 53.998 54.840 0.104 0.000 0.821 2410 L CB 2.460 44.571 42.059 0.087 0.000 1.370 2410 L HN 0.580 nan 8.230 nan 0.000 0.416 2411 D N -0.701 119.823 120.400 0.206 0.000 2.493 2411 D HA 0.259 4.900 4.640 0.000 0.000 0.239 2411 D C 0.585 177.051 176.300 0.278 0.000 1.049 2411 D CA -0.869 53.246 54.000 0.192 0.000 1.008 2411 D CB 1.289 42.165 40.800 0.127 0.000 1.398 2411 D HN 0.243 nan 8.370 nan 0.000 0.513 2412 R N 0.173 120.809 120.500 0.226 0.000 2.198 2412 R HA -0.238 4.102 4.340 0.000 0.000 0.258 2412 R C 0.830 177.194 176.300 0.107 0.000 1.173 2412 R CA 1.632 57.857 56.100 0.208 0.000 0.991 2412 R CB -0.571 29.803 30.300 0.122 0.000 0.879 2412 R HN 0.522 nan 8.270 nan 0.000 0.460 2413 N N 0.081 118.836 118.700 0.091 0.000 2.207 2413 N HA -0.095 4.645 4.740 0.000 0.000 0.182 2413 N C 1.660 177.187 175.510 0.029 0.000 1.020 2413 N CA 0.901 53.977 53.050 0.043 0.000 0.858 2413 N CB -0.119 38.398 38.487 0.050 0.000 0.991 2413 N HN 0.125 nan 8.380 nan 0.000 0.427 2414 Q N -0.011 119.849 119.800 0.100 0.000 2.062 2414 Q HA -0.048 4.293 4.340 0.000 0.000 0.209 2414 Q C 1.965 177.934 176.000 -0.052 0.000 0.996 2414 Q CA 1.934 57.814 55.803 0.129 0.000 0.859 2414 Q CB -0.981 27.904 28.738 0.245 0.000 0.920 2414 Q HN 0.464 nan 8.270 nan 0.000 0.415 2415 G N 0.214 108.813 108.800 -0.335 0.000 2.499 2415 G HA2 -0.302 3.659 3.960 0.000 0.000 0.221 2415 G HA3 -0.302 3.659 3.960 0.000 0.000 0.221 2415 G C 0.952 175.557 174.900 -0.492 0.000 1.109 2415 G CA 0.980 45.473 45.100 -1.012 0.000 0.749 2415 G HN 0.343 nan 8.290 nan 0.000 0.568 2416 K N -0.444 119.806 120.400 -0.251 0.000 2.442 2416 K HA 0.021 4.341 4.320 0.000 0.000 0.198 2416 K C 2.202 178.755 176.600 -0.079 0.000 1.042 2416 K CA 0.425 56.632 56.287 -0.134 0.000 0.958 2416 K CB -0.206 32.252 32.500 -0.071 0.000 0.766 2416 K HN 0.305 nan 8.250 nan 0.000 0.474 2417 C N 0.871 120.134 119.300 -0.061 0.000 2.419 2417 C HA -0.009 4.451 4.460 0.000 0.000 0.281 2417 C C 1.085 176.067 174.990 -0.012 0.000 1.336 2417 C CA 0.117 59.137 59.018 0.002 0.000 1.770 2417 C CB -0.343 27.444 27.740 0.080 0.000 1.929 2417 C HN 0.072 nan 8.230 nan 0.000 0.509 2418 V N 1.034 120.916 119.914 -0.053 0.000 2.495 2418 V HA 0.236 4.356 4.120 0.000 0.000 0.298 2418 V C 0.016 176.110 176.094 -0.001 0.000 1.031 2418 V CA -0.736 61.556 62.300 -0.013 0.000 0.871 2418 V CB 1.572 33.404 31.823 0.015 0.000 0.988 2418 V HN 0.347 nan 8.190 nan 0.000 0.432 2419 E N 3.257 123.464 120.200 0.011 0.000 2.529 2419 E HA 0.172 4.523 4.350 0.000 0.000 0.259 2419 E C 1.324 177.957 176.600 0.055 0.000 0.966 2419 E CA 1.004 57.408 56.400 0.007 0.000 0.937 2419 E CB 0.368 30.057 29.700 -0.018 0.000 0.923 2419 E HN 1.127 nan 8.360 nan 0.000 0.468 2420 G N 4.152 112.979 108.800 0.046 0.000 2.196 2420 G HA2 -0.378 3.582 3.960 0.000 0.000 0.268 2420 G HA3 -0.378 3.582 3.960 0.000 0.000 0.268 2420 G C 0.664 175.667 174.900 0.171 0.000 0.975 2420 G CA 0.840 46.000 45.100 0.100 0.000 0.648 2420 G HN 0.638 nan 8.290 nan 0.000 0.538 2421 M N 0.353 120.013 119.600 0.101 0.000 2.200 2421 M HA 0.208 4.689 4.480 0.000 0.000 0.265 2421 M C 2.510 178.659 176.300 -0.252 0.000 1.066 2421 M CA 2.132 57.373 55.300 -0.099 0.000 1.127 2421 M CB -0.289 32.190 32.600 -0.201 0.000 1.379 2421 M HN 0.205 nan 8.290 nan 0.000 0.420 2422 V N 0.797 120.570 119.914 -0.236 0.000 2.215 2422 V HA -0.360 3.760 4.120 0.000 0.000 0.249 2422 V C 2.136 178.212 176.094 -0.028 0.000 1.054 2422 V CA 2.469 64.646 62.300 -0.205 0.000 1.012 2422 V CB -1.216 30.541 31.823 -0.111 0.000 0.639 2422 V HN 0.460 nan 8.190 nan 0.000 0.448 2423 E N 0.230 120.436 120.200 0.010 0.000 2.164 2423 E HA -0.264 4.086 4.350 0.000 0.000 0.206 2423 E C 1.863 178.514 176.600 0.085 0.000 1.032 2423 E CA 2.074 58.504 56.400 0.050 0.000 0.832 2423 E CB -0.572 29.155 29.700 0.044 0.000 0.742 2423 E HN 0.655 nan 8.360 nan 0.000 0.460 2424 I N -0.373 120.253 120.570 0.093 0.000 2.202 2424 I HA -0.230 3.940 4.170 0.000 0.000 0.242 2424 I C 1.822 178.082 176.117 0.239 0.000 1.091 2424 I CA 0.821 62.195 61.300 0.124 0.000 1.368 2424 I CB -0.293 37.757 38.000 0.082 0.000 1.058 2424 I HN 0.025 nan 8.210 nan 0.000 0.410 2425 F N 1.760 121.705 119.950 -0.009 0.000 2.091 2425 F HA -0.267 4.260 4.527 0.000 0.000 0.299 2425 F C 2.180 177.982 175.800 0.003 0.000 1.103 2425 F CA 1.556 59.564 58.000 0.013 0.000 1.228 2425 F CB -1.174 37.843 39.000 0.029 0.000 0.984 2425 F HN 0.143 nan 8.300 nan 0.000 0.477 2426 D N -0.208 120.322 120.400 0.217 0.000 2.103 2426 D HA -0.239 4.401 4.640 0.000 0.000 0.190 2426 D C 2.428 178.775 176.300 0.078 0.000 0.997 2426 D CA 1.686 55.756 54.000 0.116 0.000 0.833 2426 D CB -0.469 40.386 40.800 0.092 0.000 0.961 2426 D HN 0.173 nan 8.370 nan 0.000 0.447 2427 M N -0.172 119.491 119.600 0.105 0.000 2.144 2427 M HA -0.166 4.314 4.480 0.000 0.000 0.260 2427 M C 2.159 178.489 176.300 0.050 0.000 1.067 2427 M CA 1.108 56.492 55.300 0.141 0.000 1.095 2427 M CB -0.297 32.432 32.600 0.215 0.000 1.365 2427 M HN 0.087 nan 8.290 nan 0.000 0.406 2428 L N -0.296 120.931 121.223 0.006 0.000 2.109 2428 L HA -0.171 4.169 4.340 0.000 0.000 0.207 2428 L C 2.271 179.064 176.870 -0.128 0.000 1.086 2428 L CA 0.951 55.735 54.840 -0.093 0.000 0.760 2428 L CB -0.381 41.583 42.059 -0.159 0.000 0.910 2428 L HN 0.338 nan 8.230 nan 0.000 0.437 2429 L N -0.746 120.433 121.223 -0.074 0.000 2.179 2429 L HA -0.070 4.270 4.340 0.000 0.000 0.208 2429 L C 2.794 179.611 176.870 -0.088 0.000 1.096 2429 L CA 0.764 55.559 54.840 -0.074 0.000 0.779 2429 L CB -0.614 41.435 42.059 -0.017 0.000 0.922 2429 L HN 0.177 nan 8.230 nan 0.000 0.443 2430 A N -0.523 122.249 122.820 -0.080 0.000 2.019 2430 A HA -0.176 4.144 4.320 0.000 0.000 0.219 2430 A C 2.302 179.775 177.584 -0.185 0.000 1.164 2430 A CA 2.305 54.275 52.037 -0.111 0.000 0.644 2430 A CB -0.615 18.319 19.000 -0.109 0.000 0.805 2430 A HN 0.377 nan 8.150 nan 0.000 0.449 2431 T N -1.784 112.632 114.554 -0.231 0.000 3.039 2431 T HA 0.016 4.366 4.350 0.000 0.000 0.250 2431 T C 2.191 176.632 174.700 -0.433 0.000 1.052 2431 T CA 1.013 62.892 62.100 -0.368 0.000 1.125 2431 T CB 0.004 68.638 68.868 -0.390 0.000 0.908 2431 T HN 0.470 nan 8.240 nan 0.000 0.473 2432 S N 1.205 116.736 115.700 -0.283 0.000 2.368 2432 S HA -0.136 4.335 4.470 0.000 0.000 0.225 2432 S C 2.317 176.860 174.600 -0.095 0.000 1.030 2432 S CA 1.908 59.991 58.200 -0.195 0.000 0.999 2432 S CB -0.515 62.596 63.200 -0.149 0.000 0.844 2432 S HN 0.465 nan 8.310 nan 0.000 0.459 2433 S N 1.254 116.900 115.700 -0.090 0.000 2.349 2433 S HA -0.151 4.319 4.470 0.000 0.000 0.216 2433 S C 2.041 176.638 174.600 -0.005 0.000 1.033 2433 S CA 1.766 59.941 58.200 -0.041 0.000 1.021 2433 S CB -0.737 62.436 63.200 -0.045 0.000 0.968 2433 S HN 0.507 nan 8.310 nan 0.000 0.426 2434 R N 0.676 121.154 120.500 -0.036 0.000 2.178 2434 R HA -0.131 4.209 4.340 0.000 0.000 0.257 2434 R C 1.992 178.392 176.300 0.167 0.000 1.163 2434 R CA 2.217 58.327 56.100 0.016 0.000 0.981 2434 R CB -1.458 28.813 30.300 -0.049 0.000 0.878 2434 R HN 0.685 nan 8.270 nan 0.000 0.454 2435 F N -0.384 119.561 119.950 -0.008 0.000 2.051 2435 F HA -0.230 4.297 4.527 0.000 0.000 0.296 2435 F C 2.706 178.503 175.800 -0.005 0.000 1.122 2435 F CA 1.241 59.253 58.000 0.020 0.000 1.201 2435 F CB -0.314 38.705 39.000 0.032 0.000 0.978 2435 F HN 0.151 nan 8.300 nan 0.000 0.472 2436 R N 0.860 121.462 120.500 0.170 0.000 2.083 2436 R HA -0.233 4.107 4.340 0.000 0.000 0.237 2436 R C 2.004 178.323 176.300 0.033 0.000 1.137 2436 R CA 1.516 57.639 56.100 0.038 0.000 0.951 2436 R CB -0.410 29.886 30.300 -0.007 0.000 0.851 2436 R HN 0.244 nan 8.270 nan 0.000 0.434 2437 M N 0.358 119.984 119.600 0.044 0.000 2.766 2437 M HA -0.018 4.462 4.480 0.000 0.000 0.208 2437 M C 0.754 177.081 176.300 0.045 0.000 1.152 2437 M CA 0.848 56.166 55.300 0.030 0.000 1.013 2437 M CB 0.205 32.818 32.600 0.021 0.000 1.813 2437 M HN 0.348 nan 8.290 nan 0.000 0.478 2438 M N -0.908 118.726 119.600 0.058 0.000 2.227 2438 M HA 0.150 4.630 4.480 0.000 0.000 0.422 2438 M C -0.215 176.109 176.300 0.041 0.000 0.947 2438 M CA 0.094 55.429 55.300 0.059 0.000 1.034 2438 M CB 0.587 33.246 32.600 0.098 0.000 2.060 2438 M HN 0.347 nan 8.290 nan 0.000 0.689 2439 N N 1.989 120.706 118.700 0.028 0.000 2.586 2439 N HA -0.184 4.556 4.740 0.000 0.000 0.282 2439 N C -1.294 174.230 175.510 0.023 0.000 1.171 2439 N CA -0.036 53.021 53.050 0.011 0.000 0.733 2439 N CB -0.183 38.309 38.487 0.007 0.000 0.910 2439 N HN 0.311 nan 8.380 nan 0.000 0.548 2440 L N 2.968 124.205 121.223 0.024 0.000 2.260 2440 L HA 0.297 4.637 4.340 0.000 0.000 0.289 2440 L C -0.090 176.911 176.870 0.218 0.000 1.057 2440 L CA -0.015 54.857 54.840 0.054 0.000 0.811 2440 L CB 1.315 43.319 42.059 -0.091 0.000 1.184 2440 L HN 0.276 nan 8.230 nan 0.000 0.429 2441 Q N 3.270 123.172 119.800 0.170 0.000 2.261 2441 Q HA 0.253 4.593 4.340 0.000 0.000 0.252 2441 Q C 1.271 177.423 176.000 0.254 0.000 0.915 2441 Q CA 0.622 56.559 55.803 0.224 0.000 0.915 2441 Q CB 1.560 30.363 28.738 0.109 0.000 1.204 2441 Q HN 0.923 nan 8.270 nan 0.000 0.421 2442 G N 3.626 112.675 108.800 0.415 0.000 2.728 2442 G HA2 -0.392 3.569 3.960 0.000 0.000 0.224 2442 G HA3 -0.392 3.569 3.960 0.000 0.000 0.224 2442 G C 0.995 175.855 174.900 -0.068 0.000 1.123 2442 G CA 1.677 46.858 45.100 0.134 0.000 0.755 2442 G HN 0.626 nan 8.290 nan 0.000 0.622 2443 E N 0.551 120.750 120.200 -0.001 0.000 2.051 2443 E HA -0.024 4.326 4.350 0.000 0.000 0.192 2443 E C 2.419 178.973 176.600 -0.076 0.000 0.991 2443 E CA 1.339 57.716 56.400 -0.037 0.000 0.799 2443 E CB -0.312 29.384 29.700 -0.008 0.000 0.748 2443 E HN 0.659 nan 8.360 nan 0.000 0.449 2444 E N 0.039 120.207 120.200 -0.055 0.000 2.118 2444 E HA -0.206 4.144 4.350 0.000 0.000 0.195 2444 E C 1.782 178.304 176.600 -0.130 0.000 0.992 2444 E CA 0.902 57.261 56.400 -0.068 0.000 0.804 2444 E CB -0.256 29.420 29.700 -0.040 0.000 0.741 2444 E HN 0.191 nan 8.360 nan 0.000 0.458 2445 F N 1.910 121.606 119.950 -0.423 0.000 2.043 2445 F HA -0.264 4.263 4.527 0.000 0.000 0.297 2445 F C 2.268 177.826 175.800 -0.404 0.000 1.121 2445 F CA 1.751 59.381 58.000 -0.617 0.000 1.199 2445 F CB -0.809 37.363 39.000 -1.380 0.000 0.968 2445 F HN -0.081 nan 8.300 nan 0.000 0.478 2446 V N -1.385 118.166 119.914 -0.605 0.000 2.469 2446 V HA -0.316 3.804 4.120 0.000 0.000 0.251 2446 V C 2.504 178.419 176.094 -0.298 0.000 1.064 2446 V CA 1.722 63.710 62.300 -0.519 0.000 1.066 2446 V CB -2.171 29.513 31.823 -0.231 0.000 0.667 2446 V HN 0.551 nan 8.190 nan 0.000 0.461 2447 C N 0.107 119.280 119.300 -0.212 0.000 2.442 2447 C HA -0.023 4.437 4.460 0.000 0.000 0.279 2447 C C 2.769 177.686 174.990 -0.121 0.000 1.237 2447 C CA 1.271 60.215 59.018 -0.123 0.000 1.722 2447 C CB -1.169 26.522 27.740 -0.083 0.000 2.056 2447 C HN 0.595 nan 8.230 nan 0.000 0.469 2448 L N 0.905 122.038 121.223 -0.150 0.000 1.971 2448 L HA -0.247 4.094 4.340 0.000 0.000 0.215 2448 L C 2.655 179.450 176.870 -0.125 0.000 1.072 2448 L CA 2.048 56.832 54.840 -0.094 0.000 0.758 2448 L CB -0.755 41.277 42.059 -0.045 0.000 0.889 2448 L HN 0.398 nan 8.230 nan 0.000 0.433 2449 K N -0.493 119.710 120.400 -0.328 0.000 2.360 2449 K HA -0.149 4.171 4.320 0.000 0.000 0.201 2449 K C 1.715 178.324 176.600 0.014 0.000 1.046 2449 K CA 1.452 57.545 56.287 -0.324 0.000 0.940 2449 K CB 0.083 32.081 32.500 -0.837 0.000 0.748 2449 K HN 0.204 nan 8.250 nan 0.000 0.465 2450 S N -0.036 115.695 115.700 0.051 0.000 2.517 2450 S HA 0.181 4.651 4.470 0.000 0.000 0.214 2450 S C 1.432 176.059 174.600 0.046 0.000 0.991 2450 S CA -0.092 58.187 58.200 0.130 0.000 0.906 2450 S CB 0.203 63.423 63.200 0.034 0.000 0.789 2450 S HN 0.252 nan 8.310 nan 0.000 0.513 2451 I N 0.859 121.443 120.570 0.024 0.000 2.703 2451 I HA 0.058 4.228 4.170 0.000 0.000 0.259 2451 I C 1.715 177.856 176.117 0.039 0.000 1.151 2451 I CA 0.765 62.076 61.300 0.020 0.000 1.470 2451 I CB -0.146 37.862 38.000 0.013 0.000 1.112 2451 I HN 0.217 nan 8.210 nan 0.000 0.437 2452 I N 0.532 121.134 120.570 0.053 0.000 2.394 2452 I HA -0.263 3.907 4.170 0.000 0.000 0.251 2452 I C 2.489 178.660 176.117 0.091 0.000 1.136 2452 I CA 1.079 62.417 61.300 0.063 0.000 1.425 2452 I CB -0.127 37.903 38.000 0.050 0.000 1.079 2452 I HN 0.249 nan 8.210 nan 0.000 0.425 2453 L N 0.598 121.896 121.223 0.126 0.000 2.046 2453 L HA -0.146 4.194 4.340 0.000 0.000 0.208 2453 L C 2.073 179.022 176.870 0.133 0.000 1.077 2453 L CA 1.980 56.908 54.840 0.146 0.000 0.747 2453 L CB -0.251 41.877 42.059 0.115 0.000 0.896 2453 L HN 0.141 nan 8.230 nan 0.000 0.432 2454 L N -1.160 120.113 121.223 0.084 0.000 2.463 2454 L HA 0.098 4.438 4.340 0.000 0.000 0.219 2454 L C 1.926 178.774 176.870 -0.037 0.000 1.088 2454 L CA 0.561 55.438 54.840 0.061 0.000 0.849 2454 L CB -0.359 41.719 42.059 0.031 0.000 1.012 2454 L HN 0.314 nan 8.230 nan 0.000 0.468 2455 N N -0.325 118.357 118.700 -0.031 0.000 2.402 2455 N HA -0.035 4.705 4.740 0.000 0.000 0.174 2455 N C 0.501 175.949 175.510 -0.104 0.000 1.027 2455 N CA 0.259 53.253 53.050 -0.094 0.000 0.891 2455 N CB 0.354 38.833 38.487 -0.014 0.000 1.016 2455 N HN -0.045 nan 8.380 nan 0.000 0.439 2456 S N 0.103 115.802 115.700 -0.001 0.000 2.443 2456 S HA 0.430 4.900 4.470 0.000 0.000 0.284 2456 S C 0.549 175.181 174.600 0.052 0.000 1.206 2456 S CA 0.190 58.418 58.200 0.046 0.000 1.074 2456 S CB 0.078 63.327 63.200 0.081 0.000 0.963 2456 S HN 0.573 nan 8.310 nan 0.000 0.501 2457 G N 2.061 110.887 108.800 0.043 0.000 2.289 2457 G HA2 -0.207 3.753 3.960 0.000 0.000 0.280 2457 G HA3 -0.207 3.753 3.960 0.000 0.000 0.280 2457 G C 0.412 175.260 174.900 -0.086 0.000 1.089 2457 G CA 0.218 45.388 45.100 0.117 0.000 0.939 2457 G HN 0.770 nan 8.290 nan 0.000 0.499 2458 V N -1.190 118.417 119.914 -0.512 0.000 3.085 2458 V HA 0.222 4.342 4.120 0.000 0.000 0.245 2458 V C 2.093 177.575 176.094 -1.019 0.000 1.114 2458 V CA 2.064 63.740 62.300 -1.039 0.000 1.108 2458 V CB -0.254 31.007 31.823 -0.937 0.000 0.798 2458 V HN 0.538 nan 8.190 nan 0.000 0.471 2459 Y N 1.287 121.438 120.300 -0.249 0.000 2.206 2459 Y HA 0.069 4.619 4.550 0.000 0.000 0.292 2459 Y C 1.872 177.729 175.900 -0.072 0.000 1.123 2459 Y CA 1.263 59.286 58.100 -0.128 0.000 1.142 2459 Y CB -0.787 37.655 38.460 -0.030 0.000 1.006 2459 Y HN 0.311 nan 8.280 nan 0.000 0.518 2460 T N 1.304 115.944 114.554 0.142 0.000 2.743 2460 T HA 0.197 4.547 4.350 0.000 0.000 0.290 2460 T C -0.394 174.435 174.700 0.215 0.000 0.908 2460 T CA -0.067 62.160 62.100 0.212 0.000 1.092 2460 T CB -0.648 68.372 68.868 0.253 0.000 0.882 2460 T HN 0.275 nan 8.240 nan 0.000 0.531 2461 F N 2.953 122.845 119.950 -0.096 0.000 3.208 2461 F HA 0.447 4.974 4.527 0.000 0.000 0.286 2461 F C 0.511 176.061 175.800 -0.417 0.000 1.532 2461 F CA -1.417 56.252 58.000 -0.552 0.000 1.004 2461 F CB 1.078 39.876 39.000 -0.338 0.000 1.777 2461 F HN 0.328 nan 8.300 nan 0.000 0.384 2462 L N -0.131 120.909 121.223 -0.306 0.000 3.058 2462 L HA 0.292 4.632 4.340 0.000 0.000 0.179 2462 L C 0.792 177.602 176.870 -0.100 0.000 1.400 2462 L CA 0.914 55.639 54.840 -0.192 0.000 1.241 2462 L CB -0.523 41.346 42.059 -0.317 0.000 1.515 2462 L HN 0.427 nan 8.230 nan 0.000 0.724 2463 S N -0.529 115.084 115.700 -0.144 0.000 2.587 2463 S HA 0.059 4.529 4.470 0.000 0.000 0.260 2463 S C 0.792 175.383 174.600 -0.014 0.000 1.353 2463 S CA 0.216 58.370 58.200 -0.077 0.000 0.995 2463 S CB 0.666 63.811 63.200 -0.092 0.000 0.912 2463 S HN 0.437 nan 8.310 nan 0.000 0.568 2464 S N 0.652 116.352 115.700 -0.001 0.000 2.952 2464 S HA 0.202 4.672 4.470 0.000 0.000 0.251 2464 S C 0.162 174.771 174.600 0.015 0.000 1.021 2464 S CA -0.329 57.886 58.200 0.024 0.000 1.067 2464 S CB 0.469 63.684 63.200 0.026 0.000 1.002 2464 S HN 0.914 nan 8.310 nan 0.000 0.574 2465 T N 0.239 114.793 114.554 0.002 0.000 2.888 2465 T HA 0.453 4.803 4.350 0.000 0.000 0.283 2465 T C 1.731 176.433 174.700 0.003 0.000 1.013 2465 T CA -0.922 61.177 62.100 -0.002 0.000 0.938 2465 T CB 0.172 69.031 68.868 -0.016 0.000 1.298 2465 T HN -0.038 nan 8.240 nan 0.000 0.580 2466 L N -0.775 120.447 121.223 -0.001 0.000 2.013 2466 L HA -0.053 4.287 4.340 0.000 0.000 0.212 2466 L C 2.289 179.158 176.870 -0.002 0.000 1.073 2466 L CA 2.151 56.992 54.840 0.002 0.000 0.753 2466 L CB -2.434 39.623 42.059 -0.003 0.000 0.890 2466 L HN 0.655 nan 8.230 nan 0.000 0.432 2467 K N 0.966 121.357 120.400 -0.015 0.000 2.044 2467 K HA -0.182 4.138 4.320 0.000 0.000 0.210 2467 K C 2.479 179.067 176.600 -0.021 0.000 1.049 2467 K CA 2.026 58.296 56.287 -0.029 0.000 0.927 2467 K CB -0.798 31.674 32.500 -0.046 0.000 0.713 2467 K HN 0.384 nan 8.250 nan 0.000 0.443 2468 S N -0.522 115.172 115.700 -0.010 0.000 2.399 2468 S HA -0.029 4.441 4.470 0.000 0.000 0.231 2468 S C 1.615 176.261 174.600 0.076 0.000 1.022 2468 S CA 0.907 59.125 58.200 0.029 0.000 0.983 2468 S CB -0.168 63.057 63.200 0.043 0.000 0.803 2468 S HN 0.308 nan 8.310 nan 0.000 0.480 2469 L N 1.251 122.500 121.223 0.042 0.000 2.240 2469 L HA 0.091 4.432 4.340 0.000 0.000 0.211 2469 L C 2.284 179.171 176.870 0.028 0.000 1.106 2469 L CA 1.328 56.191 54.840 0.038 0.000 0.793 2469 L CB -1.262 40.818 42.059 0.034 0.000 0.927 2469 L HN 0.459 nan 8.230 nan 0.000 0.446 2470 E N -0.069 120.143 120.200 0.019 0.000 2.051 2470 E HA -0.209 4.141 4.350 0.000 0.000 0.192 2470 E C 1.923 178.543 176.600 0.034 0.000 0.991 2470 E CA 1.125 57.534 56.400 0.014 0.000 0.799 2470 E CB 0.089 29.781 29.700 -0.013 0.000 0.748 2470 E HN 0.541 nan 8.360 nan 0.000 0.449 2471 E N 1.080 121.308 120.200 0.047 0.000 2.015 2471 E HA -0.201 4.149 4.350 0.000 0.000 0.191 2471 E C 2.123 178.768 176.600 0.074 0.000 0.991 2471 E CA 0.775 57.242 56.400 0.111 0.000 0.802 2471 E CB -0.152 29.635 29.700 0.145 0.000 0.759 2471 E HN 0.088 nan 8.360 nan 0.000 0.447 2472 K N 1.119 121.524 120.400 0.008 0.000 2.107 2472 K HA -0.297 4.023 4.320 0.000 0.000 0.211 2472 K C 1.665 177.995 176.600 -0.449 0.000 1.049 2472 K CA 2.243 58.340 56.287 -0.317 0.000 0.927 2472 K CB -0.121 32.246 32.500 -0.221 0.000 0.714 2472 K HN -0.016 nan 8.250 nan 0.000 0.452 2473 D N -0.717 119.605 120.400 -0.130 0.000 2.087 2473 D HA -0.196 4.445 4.640 0.000 0.000 0.192 2473 D C 1.904 178.228 176.300 0.041 0.000 0.993 2473 D CA 1.429 55.430 54.000 0.002 0.000 0.828 2473 D CB -0.175 40.659 40.800 0.058 0.000 0.968 2473 D HN 0.350 nan 8.370 nan 0.000 0.448 2474 H N 0.227 119.273 119.070 -0.039 0.000 2.319 2474 H HA -0.148 4.408 4.556 0.000 0.000 0.297 2474 H C 2.235 177.552 175.328 -0.019 0.000 1.097 2474 H CA 1.578 57.614 56.048 -0.020 0.000 1.285 2474 H CB -0.190 29.559 29.762 -0.023 0.000 1.368 2474 H HN 0.185 nan 8.280 nan 0.000 0.495 2475 I N 0.134 120.607 120.570 -0.162 0.000 2.113 2475 I HA -0.316 3.854 4.170 0.000 0.000 0.238 2475 I C 2.458 178.515 176.117 -0.101 0.000 1.070 2475 I CA 1.659 62.832 61.300 -0.212 0.000 1.332 2475 I CB -0.783 37.101 38.000 -0.194 0.000 1.044 2475 I HN 0.389 nan 8.210 nan 0.000 0.402 2476 H N -0.047 118.967 119.070 -0.094 0.000 2.394 2476 H HA -0.242 4.315 4.556 0.000 0.000 0.297 2476 H C 2.507 177.799 175.328 -0.059 0.000 1.113 2476 H CA 1.420 57.430 56.048 -0.062 0.000 1.277 2476 H CB -0.054 29.693 29.762 -0.026 0.000 1.370 2476 H HN 0.252 nan 8.280 nan 0.000 0.506 2477 R N 0.460 120.994 120.500 0.056 0.000 2.062 2477 R HA -0.094 4.246 4.340 0.000 0.000 0.229 2477 R C 2.263 178.531 176.300 -0.054 0.000 1.128 2477 R CA 1.149 57.253 56.100 0.007 0.000 0.960 2477 R CB -0.086 30.227 30.300 0.022 0.000 0.855 2477 R HN 0.090 nan 8.270 nan 0.000 0.432 2478 V N 1.396 121.215 119.914 -0.159 0.000 2.358 2478 V HA -0.225 3.895 4.120 0.000 0.000 0.246 2478 V C 2.349 178.393 176.094 -0.083 0.000 1.047 2478 V CA 1.515 63.719 62.300 -0.160 0.000 1.035 2478 V CB -0.356 31.300 31.823 -0.278 0.000 0.658 2478 V HN 0.356 nan 8.190 nan 0.000 0.452 2479 L N -0.362 120.824 121.223 -0.063 0.000 2.079 2479 L HA -0.209 4.131 4.340 0.000 0.000 0.210 2479 L C 2.411 179.273 176.870 -0.012 0.000 1.081 2479 L CA 1.576 56.401 54.840 -0.025 0.000 0.752 2479 L CB -0.671 41.390 42.059 0.005 0.000 0.896 2479 L HN 0.373 nan 8.230 nan 0.000 0.433 2480 D N 0.123 120.519 120.400 -0.006 0.000 2.149 2480 D HA -0.224 4.416 4.640 0.000 0.000 0.198 2480 D C 2.127 178.426 176.300 -0.002 0.000 0.990 2480 D CA 1.261 55.261 54.000 -0.001 0.000 0.839 2480 D CB 0.119 40.923 40.800 0.005 0.000 0.948 2480 D HN 0.295 nan 8.370 nan 0.000 0.460 2481 K N 0.731 121.124 120.400 -0.012 0.000 2.057 2481 K HA -0.080 4.240 4.320 0.000 0.000 0.206 2481 K C 2.279 178.872 176.600 -0.011 0.000 1.050 2481 K CA 0.727 57.008 56.287 -0.009 0.000 0.935 2481 K CB -0.153 32.336 32.500 -0.018 0.000 0.715 2481 K HN 0.072 nan 8.250 nan 0.000 0.439 2482 I N 1.475 122.032 120.570 -0.021 0.000 2.423 2482 I HA -0.257 3.913 4.170 0.000 0.000 0.254 2482 I C 1.954 178.066 176.117 -0.007 0.000 1.151 2482 I CA 1.343 62.629 61.300 -0.023 0.000 1.421 2482 I CB -0.528 37.455 38.000 -0.028 0.000 1.079 2482 I HN 0.254 nan 8.210 nan 0.000 0.431 2483 T N 0.222 114.778 114.554 0.002 0.000 2.746 2483 T HA -0.159 4.191 4.350 0.000 0.000 0.267 2483 T C 1.474 176.191 174.700 0.029 0.000 1.039 2483 T CA 1.584 63.694 62.100 0.016 0.000 1.142 2483 T CB -0.279 68.598 68.868 0.016 0.000 0.866 2483 T HN 0.369 nan 8.240 nan 0.000 0.444 2484 D N 1.089 121.506 120.400 0.028 0.000 2.149 2484 D HA -0.041 4.599 4.640 0.000 0.000 0.201 2484 D C 2.228 178.564 176.300 0.061 0.000 0.972 2484 D CA 1.058 55.087 54.000 0.049 0.000 0.835 2484 D CB -0.697 40.128 40.800 0.042 0.000 0.966 2484 D HN 0.325 nan 8.370 nan 0.000 0.476 2485 T N 1.085 115.648 114.554 0.015 0.000 2.881 2485 T HA -0.033 4.317 4.350 0.000 0.000 0.270 2485 T C 2.127 176.831 174.700 0.008 0.000 1.068 2485 T CA 0.501 62.585 62.100 -0.025 0.000 1.131 2485 T CB 0.016 68.849 68.868 -0.059 0.000 0.871 2485 T HN 0.134 nan 8.240 nan 0.000 0.479 2486 L N 0.003 121.243 121.223 0.028 0.000 2.130 2486 L HA 0.071 4.411 4.340 0.000 0.000 0.200 2486 L C 2.419 179.333 176.870 0.072 0.000 1.075 2486 L CA 0.513 55.376 54.840 0.038 0.000 0.768 2486 L CB -0.334 41.739 42.059 0.023 0.000 0.933 2486 L HN 0.164 nan 8.230 nan 0.000 0.451 2487 I N -0.097 120.519 120.570 0.077 0.000 2.194 2487 I HA -0.367 3.804 4.170 0.000 0.000 0.246 2487 I C 2.580 178.753 176.117 0.094 0.000 1.093 2487 I CA 1.640 62.987 61.300 0.079 0.000 1.355 2487 I CB -1.359 36.689 38.000 0.080 0.000 1.046 2487 I HN 0.440 nan 8.210 nan 0.000 0.413 2488 H N 1.618 120.692 119.070 0.008 0.000 2.274 2488 H HA -0.190 4.366 4.556 0.000 0.000 0.296 2488 H C 2.261 177.590 175.328 0.001 0.000 1.061 2488 H CA 1.846 57.896 56.048 0.003 0.000 1.226 2488 H CB -0.796 28.968 29.762 0.002 0.000 1.370 2488 H HN 0.239 nan 8.280 nan 0.000 0.507 2489 L N 0.130 121.592 121.223 0.399 0.000 2.563 2489 L HA -0.189 4.151 4.340 0.000 0.000 0.230 2489 L C 2.454 179.393 176.870 0.115 0.000 1.162 2489 L CA 0.877 55.866 54.840 0.248 0.000 0.812 2489 L CB -0.144 41.977 42.059 0.104 0.000 0.935 2489 L HN 0.393 nan 8.230 nan 0.000 0.451 2490 M N -2.744 116.903 119.600 0.078 0.000 2.534 2490 M HA 0.047 4.527 4.480 0.000 0.000 0.263 2490 M C 2.070 178.369 176.300 -0.002 0.000 1.152 2490 M CA 0.844 56.163 55.300 0.032 0.000 1.145 2490 M CB 0.131 32.747 32.600 0.027 0.000 1.333 2490 M HN 0.305 nan 8.290 nan 0.000 0.477 2491 A N -0.492 122.312 122.820 -0.028 0.000 2.030 2491 A HA 0.021 4.341 4.320 0.000 0.000 0.215 2491 A C 1.720 179.256 177.584 -0.080 0.000 1.164 2491 A CA 0.741 52.736 52.037 -0.070 0.000 0.697 2491 A CB -0.075 18.861 19.000 -0.106 0.000 0.827 2491 A HN 0.096 nan 8.150 nan 0.000 0.457 2492 K N 0.681 121.032 120.400 -0.081 0.000 3.025 2492 K HA 0.313 4.633 4.320 0.000 0.000 0.260 2492 K C 0.412 177.012 176.600 -0.000 0.000 1.023 2492 K CA 0.628 56.885 56.287 -0.050 0.000 1.194 2492 K CB -0.499 32.018 32.500 0.028 0.000 1.094 2492 K HN 0.450 nan 8.250 nan 0.000 0.460 2493 A N -1.979 120.834 122.820 -0.012 0.000 2.709 2493 A HA 0.334 4.654 4.320 0.000 0.000 0.212 2493 A C 0.917 178.494 177.584 -0.012 0.000 1.280 2493 A CA 0.491 52.527 52.037 -0.002 0.000 1.034 2493 A CB 0.430 19.436 19.000 0.009 0.000 1.255 2493 A HN 0.297 nan 8.150 nan 0.000 0.547 2494 G N -1.037 107.748 108.800 -0.025 0.000 2.201 2494 G HA2 -0.088 3.872 3.960 0.000 0.000 0.212 2494 G HA3 -0.088 3.872 3.960 0.000 0.000 0.212 2494 G C -0.137 174.742 174.900 -0.035 0.000 0.994 2494 G CA 0.140 45.224 45.100 -0.028 0.000 0.644 2494 G HN 0.616 nan 8.290 nan 0.000 0.508 2495 L N 2.495 123.696 121.223 -0.036 0.000 2.395 2495 L HA 0.628 4.968 4.340 0.000 0.000 0.269 2495 L C 1.689 178.524 176.870 -0.059 0.000 1.133 2495 L CA 0.394 55.212 54.840 -0.037 0.000 0.812 2495 L CB 0.990 43.031 42.059 -0.030 0.000 1.125 2495 L HN 0.501 nan 8.230 nan 0.000 0.452 2496 T N 0.833 115.351 114.554 -0.060 0.000 2.939 2496 T HA 0.009 4.359 4.350 0.000 0.000 0.319 2496 T C 1.700 176.317 174.700 -0.139 0.000 1.082 2496 T CA -0.152 61.900 62.100 -0.080 0.000 1.133 2496 T CB 0.134 68.964 68.868 -0.064 0.000 1.019 2496 T HN 0.488 nan 8.240 nan 0.000 0.548 2497 L N 1.337 122.458 121.223 -0.170 0.000 2.103 2497 L HA -0.238 4.103 4.340 0.000 0.000 0.215 2497 L C 3.147 179.663 176.870 -0.590 0.000 1.080 2497 L CA 2.194 56.845 54.840 -0.315 0.000 0.764 2497 L CB -0.741 41.178 42.059 -0.233 0.000 0.890 2497 L HN 0.877 nan 8.230 nan 0.000 0.435 2498 Q N -0.054 119.540 119.800 -0.344 0.000 2.084 2498 Q HA -0.251 4.089 4.340 0.000 0.000 0.202 2498 Q C 2.224 178.132 176.000 -0.153 0.000 0.978 2498 Q CA 1.609 57.270 55.803 -0.236 0.000 0.844 2498 Q CB 0.013 28.716 28.738 -0.058 0.000 0.898 2498 Q HN 0.584 nan 8.270 nan 0.000 0.426 2499 Q N -0.262 119.467 119.800 -0.118 0.000 2.170 2499 Q HA -0.207 4.133 4.340 0.000 0.000 0.203 2499 Q C 2.055 178.030 176.000 -0.042 0.000 0.976 2499 Q CA 1.414 57.184 55.803 -0.054 0.000 0.858 2499 Q CB 0.020 28.733 28.738 -0.042 0.000 0.907 2499 Q HN 0.518 nan 8.270 nan 0.000 0.433 2500 Q N -0.399 119.343 119.800 -0.096 0.000 2.046 2500 Q HA -0.150 4.190 4.340 0.000 0.000 0.200 2500 Q C 1.705 177.744 176.000 0.064 0.000 0.975 2500 Q CA 1.222 57.006 55.803 -0.032 0.000 0.836 2500 Q CB -0.135 28.567 28.738 -0.059 0.000 0.896 2500 Q HN 0.585 nan 8.270 nan 0.000 0.428 2501 H N 0.716 119.792 119.070 0.010 0.000 2.340 2501 H HA -0.188 4.368 4.556 0.000 0.000 0.294 2501 H C 2.344 177.681 175.328 0.014 0.000 1.056 2501 H CA 1.331 57.385 56.048 0.011 0.000 1.185 2501 H CB -0.078 29.689 29.762 0.008 0.000 1.379 2501 H HN 0.270 nan 8.280 nan 0.000 0.540 2502 Q N 0.316 120.218 119.800 0.169 0.000 2.156 2502 Q HA -0.263 4.077 4.340 0.000 0.000 0.211 2502 Q C 2.432 178.474 176.000 0.070 0.000 0.995 2502 Q CA 1.590 57.448 55.803 0.092 0.000 0.877 2502 Q CB -0.256 28.520 28.738 0.063 0.000 0.920 2502 Q HN 0.411 nan 8.270 nan 0.000 0.416 2503 R N 0.451 120.988 120.500 0.062 0.000 2.090 2503 R HA -0.129 4.211 4.340 0.000 0.000 0.228 2503 R C 2.313 178.649 176.300 0.061 0.000 1.110 2503 R CA 0.689 56.821 56.100 0.053 0.000 0.973 2503 R CB -0.165 30.158 30.300 0.039 0.000 0.869 2503 R HN 0.222 nan 8.270 nan 0.000 0.440 2504 L N 0.940 122.205 121.223 0.070 0.000 1.989 2504 L HA -0.148 4.192 4.340 0.000 0.000 0.211 2504 L C 2.290 179.197 176.870 0.061 0.000 1.071 2504 L CA 2.331 57.211 54.840 0.066 0.000 0.749 2504 L CB -0.821 41.284 42.059 0.078 0.000 0.890 2504 L HN 0.231 nan 8.230 nan 0.000 0.431 2505 A N -1.009 121.848 122.820 0.062 0.000 1.892 2505 A HA -0.325 3.995 4.320 0.000 0.000 0.218 2505 A C 2.173 179.792 177.584 0.058 0.000 1.188 2505 A CA 2.197 54.265 52.037 0.052 0.000 0.631 2505 A CB -0.794 18.234 19.000 0.047 0.000 0.822 2505 A HN 0.719 nan 8.150 nan 0.000 0.447 2506 Q N -0.797 119.040 119.800 0.063 0.000 2.181 2506 Q HA -0.127 4.213 4.340 0.000 0.000 0.205 2506 Q C 2.060 178.118 176.000 0.097 0.000 0.980 2506 Q CA 1.441 57.287 55.803 0.072 0.000 0.862 2506 Q CB -0.317 28.463 28.738 0.069 0.000 0.905 2506 Q HN 0.693 nan 8.270 nan 0.000 0.429 2507 L N -0.075 121.204 121.223 0.094 0.000 2.068 2507 L HA -0.134 4.206 4.340 0.000 0.000 0.204 2507 L C 2.156 179.096 176.870 0.116 0.000 1.076 2507 L CA 0.802 55.711 54.840 0.116 0.000 0.753 2507 L CB -0.253 41.852 42.059 0.077 0.000 0.910 2507 L HN 0.190 nan 8.230 nan 0.000 0.439 2508 L N -0.534 120.740 121.223 0.084 0.000 2.265 2508 L HA -0.200 4.140 4.340 0.000 0.000 0.215 2508 L C 2.296 179.215 176.870 0.081 0.000 1.117 2508 L CA 0.908 55.793 54.840 0.076 0.000 0.782 2508 L CB -0.402 41.691 42.059 0.055 0.000 0.914 2508 L HN 0.325 nan 8.230 nan 0.000 0.441 2509 L N -0.766 120.506 121.223 0.082 0.000 2.270 2509 L HA -0.113 4.228 4.340 0.000 0.000 0.210 2509 L C 2.435 179.363 176.870 0.098 0.000 1.104 2509 L CA 0.277 55.163 54.840 0.077 0.000 0.804 2509 L CB -0.179 41.917 42.059 0.061 0.000 0.937 2509 L HN 0.218 nan 8.230 nan 0.000 0.450 2510 I N 0.299 120.942 120.570 0.122 0.000 2.286 2510 I HA -0.273 3.897 4.170 0.000 0.000 0.248 2510 I C 2.457 178.658 176.117 0.139 0.000 1.115 2510 I CA 1.539 62.918 61.300 0.133 0.000 1.392 2510 I CB -0.943 37.198 38.000 0.236 0.000 1.065 2510 I HN 0.281 nan 8.210 nan 0.000 0.418 2511 L N 0.012 121.317 121.223 0.136 0.000 2.191 2511 L HA -0.199 4.141 4.340 0.000 0.000 0.212 2511 L C 2.715 179.647 176.870 0.104 0.000 1.103 2511 L CA 1.232 56.142 54.840 0.116 0.000 0.769 2511 L CB -0.675 41.444 42.059 0.100 0.000 0.908 2511 L HN 0.265 nan 8.230 nan 0.000 0.438 2512 S N -0.820 114.943 115.700 0.105 0.000 2.348 2512 S HA -0.253 4.217 4.470 0.000 0.000 0.221 2512 S C 2.169 176.837 174.600 0.112 0.000 1.033 2512 S CA 1.127 59.381 58.200 0.090 0.000 1.010 2512 S CB -0.324 62.919 63.200 0.072 0.000 0.891 2512 S HN 0.509 nan 8.310 nan 0.000 0.442 2513 H N 0.747 119.843 119.070 0.044 0.000 2.428 2513 H HA 0.085 4.641 4.556 0.000 0.000 0.296 2513 H C 2.090 177.462 175.328 0.074 0.000 1.062 2513 H CA 1.568 57.657 56.048 0.068 0.000 1.350 2513 H CB -0.257 29.523 29.762 0.031 0.000 1.403 2513 H HN 0.464 nan 8.280 nan 0.000 0.533 2514 I N 0.213 120.880 120.570 0.163 0.000 2.361 2514 I HA -0.251 3.919 4.170 0.000 0.000 0.251 2514 I C 2.889 179.020 176.117 0.023 0.000 1.133 2514 I CA 0.707 62.053 61.300 0.076 0.000 1.413 2514 I CB -0.244 37.794 38.000 0.064 0.000 1.073 2514 I HN 0.109 nan 8.210 nan 0.000 0.424 2515 R N 0.362 120.890 120.500 0.047 0.000 2.073 2515 R HA -0.225 4.115 4.340 0.000 0.000 0.234 2515 R C 2.352 178.667 176.300 0.025 0.000 1.134 2515 R CA 1.827 57.950 56.100 0.038 0.000 0.952 2515 R CB -0.790 29.550 30.300 0.066 0.000 0.850 2515 R HN 0.384 nan 8.270 nan 0.000 0.433 2516 H N 0.449 119.453 119.070 -0.111 0.000 2.319 2516 H HA -0.049 4.507 4.556 0.000 0.000 0.299 2516 H C 2.138 177.359 175.328 -0.178 0.000 1.092 2516 H CA 2.442 58.383 56.048 -0.177 0.000 1.302 2516 H CB -0.234 29.328 29.762 -0.334 0.000 1.373 2516 H HN 0.083 nan 8.280 nan 0.000 0.497 2517 M N -1.056 118.405 119.600 -0.232 0.000 2.108 2517 M HA -0.201 4.279 4.480 0.000 0.000 0.261 2517 M C 2.650 178.835 176.300 -0.192 0.000 1.066 2517 M CA 1.776 56.942 55.300 -0.223 0.000 1.107 2517 M CB -0.261 32.280 32.600 -0.098 0.000 1.356 2517 M HN 0.295 nan 8.290 nan 0.000 0.406 2518 S N 0.558 116.163 115.700 -0.158 0.000 2.356 2518 S HA -0.160 4.311 4.470 0.000 0.000 0.223 2518 S C 1.671 176.174 174.600 -0.162 0.000 1.032 2518 S CA 1.544 59.633 58.200 -0.184 0.000 1.005 2518 S CB -0.292 62.807 63.200 -0.169 0.000 0.867 2518 S HN 0.447 nan 8.310 nan 0.000 0.449 2519 N N 1.411 120.040 118.700 -0.119 0.000 2.043 2519 N HA -0.059 4.681 4.740 0.000 0.000 0.193 2519 N C 1.758 177.206 175.510 -0.103 0.000 1.037 2519 N CA 1.175 54.180 53.050 -0.076 0.000 0.851 2519 N CB -0.391 38.079 38.487 -0.029 0.000 1.027 2519 N HN 0.345 nan 8.380 nan 0.000 0.422 2520 K N 0.584 120.868 120.400 -0.193 0.000 2.026 2520 K HA -0.021 4.300 4.320 0.000 0.000 0.208 2520 K C 2.053 178.624 176.600 -0.048 0.000 1.048 2520 K CA 1.063 57.264 56.287 -0.145 0.000 0.929 2520 K CB -1.048 31.305 32.500 -0.245 0.000 0.713 2520 K HN 0.284 nan 8.250 nan 0.000 0.439 2521 G N 0.892 109.642 108.800 -0.084 0.000 2.448 2521 G HA2 -0.260 3.700 3.960 0.000 0.000 0.219 2521 G HA3 -0.260 3.700 3.960 0.000 0.000 0.219 2521 G C 1.622 176.532 174.900 0.016 0.000 1.127 2521 G CA 0.900 45.974 45.100 -0.045 0.000 0.766 2521 G HN 0.234 nan 8.290 nan 0.000 0.552 2522 M N -0.158 119.423 119.600 -0.031 0.000 2.193 2522 M HA 0.163 4.643 4.480 0.000 0.000 0.265 2522 M C 2.328 178.688 176.300 0.100 0.000 1.071 2522 M CA 0.981 56.282 55.300 0.001 0.000 1.140 2522 M CB 0.004 32.529 32.600 -0.126 0.000 1.369 2522 M HN -0.012 nan 8.290 nan 0.000 0.423 2523 E N -0.379 119.865 120.200 0.073 0.000 2.118 2523 E HA -0.260 4.090 4.350 0.000 0.000 0.195 2523 E C 2.033 178.733 176.600 0.167 0.000 0.992 2523 E CA 1.186 57.646 56.400 0.100 0.000 0.804 2523 E CB -0.659 29.071 29.700 0.050 0.000 0.741 2523 E HN 0.623 nan 8.360 nan 0.000 0.458 2524 H N 0.382 119.491 119.070 0.065 0.000 2.299 2524 H HA -0.102 4.454 4.556 0.000 0.000 0.302 2524 H C 2.248 177.627 175.328 0.085 0.000 1.078 2524 H CA 1.393 57.480 56.048 0.064 0.000 1.323 2524 H CB -0.265 29.522 29.762 0.041 0.000 1.381 2524 H HN 0.133 nan 8.280 nan 0.000 0.498 2525 L N 0.606 122.029 121.223 0.334 0.000 2.042 2525 L HA -0.205 4.136 4.340 0.000 0.000 0.210 2525 L C 2.521 179.483 176.870 0.153 0.000 1.076 2525 L CA 1.859 56.856 54.840 0.262 0.000 0.749 2525 L CB -1.225 40.991 42.059 0.261 0.000 0.893 2525 L HN 0.284 nan 8.230 nan 0.000 0.432 2526 Y N -0.854 119.485 120.300 0.064 0.000 2.256 2526 Y HA -0.301 4.250 4.550 0.000 0.000 0.288 2526 Y C 2.819 178.715 175.900 -0.007 0.000 1.155 2526 Y CA 1.849 59.969 58.100 0.033 0.000 1.203 2526 Y CB -0.242 38.240 38.460 0.037 0.000 0.980 2526 Y HN 0.406 nan 8.280 nan 0.000 0.530 2527 S N -0.395 115.314 115.700 0.014 0.000 2.357 2527 S HA -0.160 4.310 4.470 0.000 0.000 0.221 2527 S C 1.939 176.437 174.600 -0.171 0.000 1.031 2527 S CA 1.447 59.587 58.200 -0.101 0.000 0.982 2527 S CB -0.288 62.831 63.200 -0.135 0.000 0.853 2527 S HN 0.469 nan 8.310 nan 0.000 0.458 2528 M N 1.638 121.143 119.600 -0.158 0.000 2.358 2528 M HA 0.007 4.487 4.480 0.000 0.000 0.264 2528 M C 2.082 178.314 176.300 -0.113 0.000 1.064 2528 M CA 1.244 56.476 55.300 -0.113 0.000 1.093 2528 M CB -1.183 31.396 32.600 -0.034 0.000 1.401 2528 M HN 0.490 nan 8.290 nan 0.000 0.440 2529 K N -0.087 120.221 120.400 -0.154 0.000 2.062 2529 K HA -0.089 4.232 4.320 0.000 0.000 0.205 2529 K C 1.844 178.310 176.600 -0.224 0.000 1.051 2529 K CA 1.227 57.402 56.287 -0.186 0.000 0.941 2529 K CB 0.072 32.430 32.500 -0.236 0.000 0.719 2529 K HN 0.311 nan 8.250 nan 0.000 0.440 2530 C N 1.501 120.624 119.300 -0.295 0.000 2.472 2530 C HA 0.095 4.556 4.460 0.000 0.000 0.278 2530 C C 1.711 176.618 174.990 -0.139 0.000 1.447 2530 C CA 0.425 59.301 59.018 -0.238 0.000 1.773 2530 C CB -0.566 27.020 27.740 -0.256 0.000 1.793 2530 C HN 0.391 nan 8.230 nan 0.000 0.544 2531 K N 0.686 121.011 120.400 -0.124 0.000 2.372 2531 K HA 0.098 4.418 4.320 0.000 0.000 0.200 2531 K C -0.167 176.386 176.600 -0.077 0.000 1.022 2531 K CA -0.082 56.153 56.287 -0.088 0.000 1.125 2531 K CB -0.016 32.435 32.500 -0.082 0.000 0.855 2531 K HN 0.418 nan 8.250 nan 0.000 0.524 2532 N N 1.225 119.872 118.700 -0.090 0.000 2.667 2532 N HA -0.149 4.591 4.740 0.000 0.000 0.263 2532 N C 0.235 175.704 175.510 -0.069 0.000 1.038 2532 N CA 0.556 53.558 53.050 -0.080 0.000 0.749 2532 N CB -0.933 37.514 38.487 -0.066 0.000 0.892 2532 N HN 0.019 nan 8.380 nan 0.000 0.546 2533 V N -1.452 118.420 119.914 -0.070 0.000 3.539 2533 V HA 0.115 4.235 4.120 0.000 0.000 0.262 2533 V C 0.894 176.951 176.094 -0.061 0.000 1.381 2533 V CA 0.238 62.506 62.300 -0.053 0.000 1.060 2533 V CB 1.263 33.063 31.823 -0.039 0.000 0.842 2533 V HN 0.305 nan 8.190 nan 0.000 0.445 2534 V N 2.812 122.679 119.914 -0.078 0.000 2.465 2534 V HA 0.501 4.621 4.120 0.000 0.000 0.279 2534 V C -2.089 173.889 176.094 -0.193 0.000 1.045 2534 V CA -1.847 60.390 62.300 -0.104 0.000 0.938 2534 V CB 1.612 33.397 31.823 -0.063 0.000 0.986 2534 V HN 0.249 nan 8.190 nan 0.000 0.467 2535 P HA 0.153 nan 4.420 nan 0.000 0.272 2535 P C -0.366 176.651 177.300 -0.471 0.000 1.248 2535 P CA -0.230 62.562 63.100 -0.513 0.000 0.799 2535 P CB 0.323 31.405 31.700 -1.030 0.000 0.997 2536 L N 0.025 121.026 121.223 -0.370 0.000 2.968 2536 L HA 0.186 4.526 4.340 0.000 0.000 0.235 2536 L C -0.095 176.733 176.870 -0.069 0.000 1.323 2536 L CA 0.083 54.817 54.840 -0.177 0.000 1.159 2536 L CB -1.695 40.311 42.059 -0.088 0.000 1.523 2536 L HN 0.304 nan 8.230 nan 0.000 0.468 2537 Y N 0.658 120.951 120.300 -0.012 0.000 2.697 2537 Y HA -0.056 4.494 4.550 0.000 0.000 0.349 2537 Y C 1.398 177.279 175.900 -0.033 0.000 1.120 2537 Y CA -0.952 57.137 58.100 -0.018 0.000 1.468 2537 Y CB 0.242 38.694 38.460 -0.014 0.000 1.182 2537 Y HN 0.418 nan 8.280 nan 0.000 0.525 2538 D N 1.817 122.287 120.400 0.117 0.000 2.178 2538 D HA -0.221 4.419 4.640 0.000 0.000 0.202 2538 D C 1.942 178.242 176.300 0.001 0.000 0.974 2538 D CA 0.683 54.707 54.000 0.039 0.000 0.841 2538 D CB -0.141 40.675 40.800 0.027 0.000 0.953 2538 D HN 0.471 nan 8.370 nan 0.000 0.478 2539 L N 0.099 121.322 121.223 0.000 0.000 2.079 2539 L HA -0.080 4.260 4.340 0.000 0.000 0.210 2539 L C 2.036 178.831 176.870 -0.126 0.000 1.081 2539 L CA 1.353 56.160 54.840 -0.054 0.000 0.752 2539 L CB -0.569 41.461 42.059 -0.048 0.000 0.896 2539 L HN 0.122 nan 8.230 nan 0.000 0.433 2540 L N -0.788 120.384 121.223 -0.085 0.000 2.131 2540 L HA -0.095 4.245 4.340 0.000 0.000 0.206 2540 L C 2.271 179.032 176.870 -0.181 0.000 1.087 2540 L CA 1.059 55.795 54.840 -0.173 0.000 0.767 2540 L CB -0.497 41.577 42.059 0.024 0.000 0.917 2540 L HN 0.150 nan 8.230 nan 0.000 0.441 2541 L N 0.083 121.267 121.223 -0.065 0.000 2.131 2541 L HA -0.205 4.135 4.340 0.000 0.000 0.210 2541 L C 2.413 179.243 176.870 -0.067 0.000 1.092 2541 L CA 1.913 56.728 54.840 -0.042 0.000 0.759 2541 L CB -0.888 41.164 42.059 -0.012 0.000 0.903 2541 L HN 0.573 nan 8.230 nan 0.000 0.435 2542 E N -0.762 119.378 120.200 -0.101 0.000 2.031 2542 E HA -0.247 4.103 4.350 0.000 0.000 0.193 2542 E C 2.174 178.680 176.600 -0.156 0.000 0.994 2542 E CA 1.197 57.539 56.400 -0.097 0.000 0.800 2542 E CB 0.062 29.707 29.700 -0.092 0.000 0.752 2542 E HN 0.250 nan 8.360 nan 0.000 0.447 2543 M N 0.397 119.776 119.600 -0.369 0.000 2.202 2543 M HA -0.129 4.351 4.480 0.000 0.000 0.262 2543 M C 2.395 178.521 176.300 -0.290 0.000 1.063 2543 M CA 0.887 55.810 55.300 -0.628 0.000 1.097 2543 M CB -0.881 30.676 32.600 -1.740 0.000 1.382 2543 M HN 0.259 nan 8.290 nan 0.000 0.413 2544 L N 0.722 121.836 121.223 -0.182 0.000 2.072 2544 L HA -0.096 4.244 4.340 0.000 0.000 0.205 2544 L C 1.550 178.523 176.870 0.172 0.000 1.079 2544 L CA 1.893 56.797 54.840 0.106 0.000 0.752 2544 L CB -0.751 41.382 42.059 0.123 0.000 0.906 2544 L HN 0.141 nan 8.230 nan 0.000 0.436 2545 D N -0.260 120.207 120.400 0.111 0.000 2.350 2545 D HA -0.016 4.624 4.640 0.000 0.000 0.216 2545 D C 2.027 178.409 176.300 0.137 0.000 0.968 2545 D CA 0.988 55.066 54.000 0.129 0.000 0.894 2545 D CB 0.048 40.898 40.800 0.083 0.000 0.909 2545 D HN 0.451 nan 8.370 nan 0.000 0.520 2546 A N -0.178 122.739 122.820 0.162 0.000 2.209 2546 A HA -0.067 4.253 4.320 0.000 0.000 0.212 2546 A C 0.565 178.253 177.584 0.172 0.000 1.158 2546 A CA 0.756 52.883 52.037 0.150 0.000 0.742 2546 A CB -0.290 18.788 19.000 0.129 0.000 0.790 2546 A HN 0.191 nan 8.150 nan 0.000 0.472 2547 H N 0.000 119.122 119.070 0.086 0.000 2.539 2547 H HA 0.000 4.556 4.556 0.000 0.000 0.296 2547 H CA 0.000 56.091 56.048 0.072 0.000 1.023 2547 H CB 0.000 29.826 29.762 0.107 0.000 1.292 2547 H HN 0.000 nan 8.280 nan 0.000 0.496