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 3hrq_1_A DATA FIRST_RESID 1304 DATA SEQUENCE MEIKTTTTLH RVVEETTKPL GATLVVETDI SRKDVNGLAR GHLVDGIPLC DATA SEQUENCE TPSFYADIAM QVGQYSMQRL RXXXXXXXXX XGLVDVSDMV VDKALVPHGK DATA SEQUENCE GPQLLRTTLT MEWPPKAAAT TRSAKVKFAT YFXXXXLDTE HASCTVRFTS DATA SEQUENCE DAQLKSLRRS VSEYKTHIRQ LHDGHAKGQF MRYNRKTGYK LMSSMARFNP DATA SEQUENCE DYMLLDYLVL NEAENEAASG VDFSLGSSEG TFAAHPAHVD AITQVAGFAM DATA SEQUENCE NANDNVDIEK QVYVNHGWDS FQIYQPLDNS KSYQVYTKMG QAXXNDLVHG DATA SEQUENCE DVVVLDGEQI VAFFRGLTLR SVPRGALRVV LQT 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 1304 M HA 0.000 nan 4.480 nan 0.000 0.227 1304 M C 0.000 176.439 176.300 0.232 0.000 1.140 1304 M CA 0.000 55.363 55.300 0.105 0.000 0.988 1304 M CB 0.000 32.643 32.600 0.071 0.000 1.302 1305 E N 2.965 123.251 120.200 0.144 0.000 2.467 1305 E HA 0.141 4.491 4.350 0.000 0.000 0.264 1305 E C -0.275 176.328 176.600 0.006 0.000 1.020 1305 E CA 0.297 56.746 56.400 0.081 0.000 0.945 1305 E CB 0.119 29.825 29.700 0.011 0.000 0.942 1305 E HN 0.451 nan 8.360 nan 0.000 0.449 1306 I N 3.648 124.000 120.570 -0.363 0.000 2.529 1306 I HA 0.074 4.244 4.170 0.000 0.000 0.284 1306 I C -0.090 175.885 176.117 -0.237 0.000 1.082 1306 I CA -0.620 60.333 61.300 -0.579 0.000 1.406 1306 I CB 0.414 37.723 38.000 -1.152 0.000 1.405 1306 I HN 0.342 nan 8.210 nan 0.000 0.548 1307 K N 5.818 126.139 120.400 -0.133 0.000 2.322 1307 K HA 0.191 4.511 4.320 0.000 0.000 0.283 1307 K C -0.009 176.538 176.600 -0.087 0.000 1.042 1307 K CA -0.294 55.945 56.287 -0.080 0.000 0.958 1307 K CB 0.501 32.974 32.500 -0.044 0.000 0.984 1307 K HN 0.687 nan 8.250 nan 0.000 0.473 1308 T N -0.485 114.028 114.554 -0.068 0.000 2.910 1308 T HA 0.411 4.761 4.350 0.000 0.000 0.293 1308 T C 0.643 175.310 174.700 -0.055 0.000 1.015 1308 T CA -0.613 61.460 62.100 -0.046 0.000 1.094 1308 T CB 0.960 69.814 68.868 -0.023 0.000 0.968 1308 T HN 0.658 nan 8.240 nan 0.000 0.521 1309 T N -1.766 112.762 114.554 -0.044 0.000 2.669 1309 T HA 0.406 4.756 4.350 0.000 0.000 0.283 1309 T C 1.271 175.922 174.700 -0.082 0.000 1.019 1309 T CA -0.519 61.509 62.100 -0.120 0.000 1.039 1309 T CB 0.661 69.421 68.868 -0.180 0.000 1.374 1309 T HN 0.394 nan 8.240 nan 0.000 0.523 1310 T N 1.480 115.873 114.554 -0.269 0.000 2.833 1310 T HA -0.012 4.338 4.350 0.000 0.000 0.269 1310 T C 1.745 176.479 174.700 0.058 0.000 1.054 1310 T CA 2.009 64.012 62.100 -0.162 0.000 1.135 1310 T CB -0.690 67.885 68.868 -0.489 0.000 0.869 1310 T HN 0.928 nan 8.240 nan 0.000 0.466 1311 T N -1.182 113.312 114.554 -0.100 0.000 3.054 1311 T HA 0.465 4.815 4.350 0.000 0.000 0.255 1311 T C 0.173 174.740 174.700 -0.221 0.000 1.035 1311 T CA -0.325 61.661 62.100 -0.189 0.000 0.941 1311 T CB 0.064 68.710 68.868 -0.371 0.000 1.026 1311 T HN 0.236 nan 8.240 nan 0.000 0.533 1312 L N 1.653 122.804 121.223 -0.119 0.000 2.457 1312 L HA 0.464 4.804 4.340 0.000 0.000 0.266 1312 L C 0.146 177.059 176.870 0.072 0.000 0.979 1312 L CA -0.725 54.064 54.840 -0.086 0.000 0.857 1312 L CB 1.324 43.349 42.059 -0.057 0.000 1.213 1312 L HN 0.035 nan 8.230 nan 0.000 0.418 1313 H N 3.317 122.377 119.070 -0.017 0.000 2.418 1313 H HA 0.272 4.828 4.556 0.000 0.000 0.300 1313 H C 0.401 175.711 175.328 -0.030 0.000 1.041 1313 H CA 0.351 56.385 56.048 -0.022 0.000 1.364 1313 H CB 0.340 30.103 29.762 0.001 0.000 1.439 1313 H HN 0.462 nan 8.280 nan 0.000 0.540 1314 R N 0.324 120.883 120.500 0.097 0.000 2.707 1314 R HA 0.405 4.745 4.340 0.000 0.000 0.272 1314 R C -1.833 174.463 176.300 -0.008 0.000 1.011 1314 R CA -0.583 55.537 56.100 0.033 0.000 0.893 1314 R CB 1.869 32.195 30.300 0.043 0.000 1.233 1314 R HN -0.110 nan 8.270 nan 0.000 0.464 1315 V N 3.910 123.808 119.914 -0.027 0.000 2.364 1315 V HA 0.153 4.273 4.120 0.000 0.000 0.272 1315 V C 1.116 177.192 176.094 -0.030 0.000 1.036 1315 V CA -0.296 61.980 62.300 -0.041 0.000 0.880 1315 V CB 1.351 33.142 31.823 -0.054 0.000 0.991 1315 V HN 0.691 nan 8.190 nan 0.000 0.460 1316 V N 3.480 123.372 119.914 -0.037 0.000 2.426 1316 V HA 0.116 4.236 4.120 0.000 0.000 0.242 1316 V C 0.792 176.864 176.094 -0.038 0.000 1.036 1316 V CA 1.168 63.442 62.300 -0.044 0.000 1.044 1316 V CB 0.021 31.800 31.823 -0.073 0.000 0.688 1316 V HN 0.928 nan 8.190 nan 0.000 0.462 1317 E N -0.166 120.013 120.200 -0.034 0.000 2.343 1317 E HA 0.457 4.807 4.350 0.000 0.000 0.278 1317 E C -1.312 175.286 176.600 -0.002 0.000 0.910 1317 E CA -0.510 55.878 56.400 -0.021 0.000 0.757 1317 E CB 2.318 31.999 29.700 -0.031 0.000 1.218 1317 E HN 0.313 nan 8.360 nan 0.000 0.435 1318 E N 2.833 123.042 120.200 0.015 0.000 2.448 1318 E HA 0.226 4.576 4.350 0.000 0.000 0.288 1318 E C -1.889 174.739 176.600 0.046 0.000 0.936 1318 E CA -0.418 56.008 56.400 0.044 0.000 0.809 1318 E CB 1.177 30.915 29.700 0.062 0.000 1.408 1318 E HN 0.480 nan 8.360 nan 0.000 0.393 1319 T N 0.771 115.351 114.554 0.043 0.000 2.840 1319 T HA 0.495 4.845 4.350 0.000 0.000 0.287 1319 T C -0.068 174.663 174.700 0.052 0.000 0.991 1319 T CA -0.645 61.477 62.100 0.037 0.000 0.964 1319 T CB 1.620 70.496 68.868 0.014 0.000 0.954 1319 T HN 0.134 nan 8.240 nan 0.000 0.438 1320 T N 3.605 118.201 114.554 0.070 0.000 2.909 1320 T HA 0.594 4.944 4.350 0.000 0.000 0.286 1320 T C -0.280 174.463 174.700 0.071 0.000 1.002 1320 T CA -0.714 61.450 62.100 0.108 0.000 1.074 1320 T CB 1.261 70.212 68.868 0.137 0.000 0.984 1320 T HN 0.739 nan 8.240 nan 0.000 0.495 1321 K N 1.986 122.423 120.400 0.061 0.000 2.480 1321 K HA 0.436 4.756 4.320 0.000 0.000 0.258 1321 K C -1.816 174.807 176.600 0.038 0.000 0.990 1321 K CA -2.280 54.009 56.287 0.004 0.000 0.857 1321 K CB 1.861 34.311 32.500 -0.083 0.000 1.384 1321 K HN 0.174 nan 8.250 nan 0.000 0.446 1322 P HA -0.091 nan 4.420 nan 0.000 0.218 1322 P C 0.588 177.891 177.300 0.005 0.000 1.149 1322 P CA 1.155 64.305 63.100 0.083 0.000 0.817 1322 P CB 0.305 32.032 31.700 0.046 0.000 0.785 1323 L N -1.147 119.947 121.223 -0.215 0.000 3.017 1323 L HA 0.526 4.866 4.340 0.000 0.000 0.255 1323 L C 0.856 177.211 176.870 -0.858 0.000 1.247 1323 L CA -0.258 54.325 54.840 -0.428 0.000 1.038 1323 L CB 0.104 42.028 42.059 -0.225 0.000 1.380 1323 L HN 0.100 nan 8.230 nan 0.000 0.548 1324 G N -0.112 107.916 108.800 -1.287 0.000 2.369 1324 G HA2 0.448 4.408 3.960 0.000 0.000 0.307 1324 G HA3 0.448 4.408 3.960 0.000 0.000 0.307 1324 G C -1.955 172.494 174.900 -0.752 0.000 1.327 1324 G CA -0.129 44.062 45.100 -1.515 0.000 0.963 1324 G HN 0.192 nan 8.290 nan 0.000 0.590 1325 A N -1.376 121.196 122.820 -0.414 0.000 2.593 1325 A HA 1.006 5.326 4.320 0.000 0.000 0.290 1325 A C -0.460 177.114 177.584 -0.017 0.000 1.126 1325 A CA 0.107 52.113 52.037 -0.052 0.000 0.695 1325 A CB 1.814 20.939 19.000 0.208 0.000 1.290 1325 A HN 1.626 nan 8.150 nan 0.000 0.414 1326 T N 0.671 115.239 114.554 0.023 0.000 2.952 1326 T HA 0.570 4.920 4.350 0.000 0.000 0.305 1326 T C -1.636 173.091 174.700 0.045 0.000 1.064 1326 T CA -0.213 61.897 62.100 0.017 0.000 1.008 1326 T CB 1.283 70.142 68.868 -0.014 0.000 1.078 1326 T HN 1.052 nan 8.240 nan 0.000 0.459 1327 L N 4.040 125.291 121.223 0.046 0.000 2.406 1327 L HA 0.796 5.136 4.340 0.000 0.000 0.272 1327 L C -1.531 175.342 176.870 0.006 0.000 0.980 1327 L CA -0.555 54.317 54.840 0.053 0.000 0.831 1327 L CB 1.562 43.692 42.059 0.119 0.000 1.253 1327 L HN 0.480 nan 8.230 nan 0.000 0.406 1328 V N 5.844 125.748 119.914 -0.015 0.000 2.409 1328 V HA 0.715 4.835 4.120 0.000 0.000 0.291 1328 V C -0.142 175.926 176.094 -0.044 0.000 1.020 1328 V CA -0.450 61.824 62.300 -0.044 0.000 0.848 1328 V CB 1.717 33.501 31.823 -0.065 0.000 0.990 1328 V HN 0.669 nan 8.190 nan 0.000 0.430 1329 V N 1.790 121.679 119.914 -0.042 0.000 3.019 1329 V HA 0.822 4.942 4.120 0.000 0.000 0.317 1329 V C -0.637 175.445 176.094 -0.019 0.000 1.094 1329 V CA -0.701 61.579 62.300 -0.034 0.000 1.000 1329 V CB 2.163 33.965 31.823 -0.036 0.000 1.060 1329 V HN 0.892 nan 8.190 nan 0.000 0.443 1330 E N 0.040 120.234 120.200 -0.010 0.000 2.317 1330 E HA 0.720 5.070 4.350 0.000 0.000 0.270 1330 E C -1.484 175.103 176.600 -0.023 0.000 0.885 1330 E CA -0.637 55.766 56.400 0.006 0.000 0.760 1330 E CB 2.542 32.249 29.700 0.013 0.000 1.227 1330 E HN 0.928 nan 8.360 nan 0.000 0.434 1331 T N 2.562 117.089 114.554 -0.045 0.000 3.031 1331 T HA 0.125 4.475 4.350 0.000 0.000 0.305 1331 T C -1.391 173.273 174.700 -0.061 0.000 0.985 1331 T CA -0.769 61.171 62.100 -0.266 0.000 1.008 1331 T CB 1.097 69.823 68.868 -0.238 0.000 1.005 1331 T HN 0.349 nan 8.240 nan 0.000 0.444 1332 D N 3.440 123.920 120.400 0.133 0.000 2.422 1332 D HA 0.122 4.762 4.640 0.000 0.000 0.227 1332 D C 1.509 177.905 176.300 0.159 0.000 1.190 1332 D CA -0.933 53.176 54.000 0.182 0.000 0.905 1332 D CB 0.389 41.332 40.800 0.237 0.000 1.034 1332 D HN 0.679 nan 8.370 nan 0.000 0.507 1333 I N 0.447 121.038 120.570 0.036 0.000 3.241 1333 I HA -0.049 4.121 4.170 0.000 0.000 0.280 1333 I C 0.823 176.920 176.117 -0.032 0.000 1.320 1333 I CA 0.251 61.539 61.300 -0.021 0.000 1.413 1333 I CB -0.002 37.873 38.000 -0.208 0.000 1.060 1333 I HN 0.009 nan 8.210 nan 0.000 0.500 1334 S N 0.318 116.023 115.700 0.008 0.000 2.503 1334 S HA 0.165 4.635 4.470 0.000 0.000 0.215 1334 S C 0.979 175.607 174.600 0.047 0.000 1.003 1334 S CA -0.323 57.881 58.200 0.006 0.000 0.910 1334 S CB -0.147 63.067 63.200 0.023 0.000 0.790 1334 S HN 0.436 nan 8.310 nan 0.000 0.514 1335 R N 2.308 122.860 120.500 0.087 0.000 2.538 1335 R HA 0.037 4.377 4.340 0.000 0.000 0.282 1335 R C 0.946 177.279 176.300 0.056 0.000 1.009 1335 R CA 0.336 56.473 56.100 0.062 0.000 1.063 1335 R CB 0.317 30.644 30.300 0.045 0.000 0.945 1335 R HN 0.169 nan 8.270 nan 0.000 0.414 1336 K N 1.837 122.256 120.400 0.032 0.000 2.218 1336 K HA -0.195 4.125 4.320 0.000 0.000 0.205 1336 K C 1.157 177.787 176.600 0.049 0.000 1.046 1336 K CA 1.837 58.145 56.287 0.035 0.000 0.933 1336 K CB 0.028 32.542 32.500 0.023 0.000 0.728 1336 K HN 0.690 nan 8.250 nan 0.000 0.454 1337 D N -0.112 120.313 120.400 0.043 0.000 2.317 1337 D HA -0.091 4.549 4.640 0.000 0.000 0.211 1337 D C 1.547 177.917 176.300 0.117 0.000 0.966 1337 D CA 0.599 54.635 54.000 0.059 0.000 0.876 1337 D CB 0.177 40.984 40.800 0.012 0.000 0.927 1337 D HN 0.065 nan 8.370 nan 0.000 0.519 1338 V N -0.263 119.739 119.914 0.147 0.000 3.497 1338 V HA 0.074 4.194 4.120 0.000 0.000 0.272 1338 V C 1.723 177.914 176.094 0.161 0.000 1.474 1338 V CA 0.358 62.786 62.300 0.214 0.000 1.025 1338 V CB -0.175 31.836 31.823 0.313 0.000 0.820 1338 V HN -0.025 nan 8.190 nan 0.000 0.437 1339 N N 1.462 120.218 118.700 0.094 0.000 2.061 1339 N HA -0.116 4.624 4.740 0.000 0.000 0.193 1339 N C 1.828 177.343 175.510 0.009 0.000 1.030 1339 N CA 2.354 55.417 53.050 0.021 0.000 0.856 1339 N CB -0.529 37.965 38.487 0.011 0.000 1.023 1339 N HN 0.481 nan 8.380 nan 0.000 0.424 1340 G N 0.401 109.231 108.800 0.050 0.000 2.440 1340 G HA2 -0.202 3.758 3.960 0.000 0.000 0.218 1340 G HA3 -0.202 3.758 3.960 0.000 0.000 0.218 1340 G C 1.533 176.482 174.900 0.082 0.000 1.154 1340 G CA 0.763 45.896 45.100 0.055 0.000 0.767 1340 G HN 0.340 nan 8.290 nan 0.000 0.552 1341 L N 0.553 121.868 121.223 0.153 0.000 2.141 1341 L HA 0.005 4.345 4.340 0.000 0.000 0.209 1341 L C 3.279 180.247 176.870 0.163 0.000 1.094 1341 L CA 0.783 55.775 54.840 0.253 0.000 0.763 1341 L CB -0.254 41.968 42.059 0.273 0.000 0.908 1341 L HN 0.319 nan 8.230 nan 0.000 0.437 1342 A N 0.022 122.824 122.820 -0.030 0.000 2.121 1342 A HA -0.080 4.240 4.320 0.000 0.000 0.218 1342 A C 1.286 178.637 177.584 -0.389 0.000 1.154 1342 A CA 0.650 52.425 52.037 -0.437 0.000 0.679 1342 A CB -0.308 18.345 19.000 -0.578 0.000 0.795 1342 A HN 0.327 nan 8.150 nan 0.000 0.458 1343 R N -0.164 120.185 120.500 -0.252 0.000 3.436 1343 R HA 0.308 4.648 4.340 0.000 0.000 0.247 1343 R C 1.313 177.382 176.300 -0.385 0.000 1.434 1343 R CA 0.246 56.181 56.100 -0.274 0.000 1.543 1343 R CB 0.382 30.579 30.300 -0.172 0.000 1.289 1343 R HN 0.304 nan 8.270 nan 0.000 0.664 1344 G N 0.199 108.619 108.800 -0.633 0.000 2.396 1344 G HA2 -0.101 3.859 3.960 0.000 0.000 0.214 1344 G HA3 -0.101 3.859 3.960 0.000 0.000 0.214 1344 G C 0.339 174.845 174.900 -0.656 0.000 1.166 1344 G CA 0.317 44.672 45.100 -1.241 0.000 0.793 1344 G HN 0.440 nan 8.290 nan 0.000 0.533 1345 H N -1.773 116.995 119.070 -0.503 0.000 2.670 1345 H HA 0.628 5.184 4.556 0.000 0.000 0.361 1345 H C -1.553 173.558 175.328 -0.363 0.000 1.169 1345 H CA -1.036 54.712 56.048 -0.500 0.000 1.198 1345 H CB 2.800 32.285 29.762 -0.462 0.000 1.700 1345 H HN 0.111 nan 8.280 nan 0.000 0.542 1346 L N 2.454 123.545 121.223 -0.219 0.000 2.404 1346 L HA 0.378 4.718 4.340 0.000 0.000 0.272 1346 L C -1.604 175.173 176.870 -0.154 0.000 0.980 1346 L CA -0.535 54.211 54.840 -0.157 0.000 0.836 1346 L CB 1.447 43.430 42.059 -0.126 0.000 1.238 1346 L HN 0.390 nan 8.230 nan 0.000 0.408 1347 V N 4.472 124.320 119.914 -0.111 0.000 2.444 1347 V HA 0.417 4.537 4.120 0.000 0.000 0.294 1347 V C -0.491 175.566 176.094 -0.062 0.000 1.022 1347 V CA -0.707 61.538 62.300 -0.091 0.000 0.850 1347 V CB 1.478 33.253 31.823 -0.080 0.000 0.992 1347 V HN 0.824 nan 8.190 nan 0.000 0.426 1348 D N 4.309 124.679 120.400 -0.051 0.000 2.708 1348 D HA -0.204 4.436 4.640 0.000 0.000 0.236 1348 D C 1.352 177.632 176.300 -0.033 0.000 1.146 1348 D CA 1.533 55.511 54.000 -0.036 0.000 0.662 1348 D CB -0.937 39.845 40.800 -0.031 0.000 1.059 1348 D HN 1.430 nan 8.370 nan 0.000 0.428 1349 G N -0.685 108.092 108.800 -0.038 0.000 2.189 1349 G HA2 -0.342 3.618 3.960 0.000 0.000 0.267 1349 G HA3 -0.342 3.618 3.960 0.000 0.000 0.267 1349 G C 0.418 175.296 174.900 -0.038 0.000 0.975 1349 G CA 0.469 45.549 45.100 -0.034 0.000 0.644 1349 G HN 0.568 nan 8.290 nan 0.000 0.537 1350 I N 2.944 123.486 120.570 -0.046 0.000 2.321 1350 I HA 0.316 4.486 4.170 0.000 0.000 0.291 1350 I C -1.795 174.278 176.117 -0.072 0.000 0.998 1350 I CA -2.484 58.787 61.300 -0.048 0.000 1.227 1350 I CB 1.867 39.843 38.000 -0.039 0.000 1.368 1350 I HN -0.097 nan 8.210 nan 0.000 0.466 1351 P HA 0.280 nan 4.420 nan 0.000 0.275 1351 P C -1.147 176.065 177.300 -0.145 0.000 1.227 1351 P CA -0.082 62.946 63.100 -0.120 0.000 0.781 1351 P CB 1.265 32.896 31.700 -0.116 0.000 0.906 1352 L N 2.383 123.492 121.223 -0.190 0.000 2.401 1352 L HA 0.421 4.761 4.340 0.000 0.000 0.266 1352 L C 0.207 176.879 176.870 -0.330 0.000 0.991 1352 L CA -1.021 53.690 54.840 -0.215 0.000 0.818 1352 L CB 2.373 44.342 42.059 -0.150 0.000 1.321 1352 L HN 0.416 nan 8.230 nan 0.000 0.413 1353 C N 2.117 121.197 119.300 -0.366 0.000 2.435 1353 C HA 0.570 5.030 4.460 0.000 0.000 0.375 1353 C C 1.005 175.732 174.990 -0.440 0.000 1.281 1353 C CA -0.334 58.383 59.018 -0.502 0.000 1.963 1353 C CB 0.319 27.670 27.740 -0.649 0.000 2.490 1353 C HN 0.862 nan 8.230 nan 0.000 0.557 1354 T N 4.178 118.477 114.554 -0.426 0.000 2.913 1354 T HA 0.355 4.705 4.350 0.000 0.000 0.287 1354 T C -1.832 172.731 174.700 -0.228 0.000 1.008 1354 T CA -1.299 60.616 62.100 -0.309 0.000 1.067 1354 T CB 1.160 69.865 68.868 -0.272 0.000 0.996 1354 T HN 0.503 nan 8.240 nan 0.000 0.513 1355 P HA -0.143 nan 4.420 nan 0.000 0.217 1355 P C 1.880 179.283 177.300 0.172 0.000 1.148 1355 P CA 1.328 64.487 63.100 0.100 0.000 0.828 1355 P CB -0.132 31.674 31.700 0.176 0.000 0.783 1356 S N -1.858 113.950 115.700 0.179 0.000 2.419 1356 S HA -0.201 4.269 4.470 0.000 0.000 0.233 1356 S C 1.840 176.471 174.600 0.052 0.000 1.016 1356 S CA 0.721 59.022 58.200 0.169 0.000 0.974 1356 S CB -1.708 61.551 63.200 0.098 0.000 0.786 1356 S HN 0.059 nan 8.310 nan 0.000 0.492 1357 F N 1.804 121.618 119.950 -0.227 0.000 2.113 1357 F HA -0.027 4.500 4.527 0.000 0.000 0.297 1357 F C 2.038 177.671 175.800 -0.280 0.000 1.103 1357 F CA 1.286 59.099 58.000 -0.313 0.000 1.248 1357 F CB -0.390 38.303 39.000 -0.511 0.000 0.999 1357 F HN 0.114 nan 8.300 nan 0.000 0.475 1358 Y N 0.087 120.358 120.300 -0.048 0.000 2.200 1358 Y HA -0.079 4.471 4.550 0.000 0.000 0.290 1358 Y C 2.574 178.376 175.900 -0.164 0.000 1.137 1358 Y CA 0.730 58.550 58.100 -0.467 0.000 1.163 1358 Y CB -1.661 36.073 38.460 -1.210 0.000 0.988 1358 Y HN 0.117 nan 8.280 nan 0.000 0.518 1359 A N 0.147 123.077 122.820 0.183 0.000 1.940 1359 A HA -0.264 4.056 4.320 0.000 0.000 0.219 1359 A C 1.991 179.713 177.584 0.231 0.000 1.176 1359 A CA 2.091 54.335 52.037 0.345 0.000 0.631 1359 A CB -0.907 18.422 19.000 0.547 0.000 0.814 1359 A HN 0.460 nan 8.150 nan 0.000 0.446 1360 D N 0.096 120.546 120.400 0.083 0.000 2.097 1360 D HA -0.133 4.507 4.640 0.000 0.000 0.195 1360 D C 1.708 178.034 176.300 0.045 0.000 0.989 1360 D CA 1.581 55.588 54.000 0.011 0.000 0.827 1360 D CB -0.299 40.409 40.800 -0.152 0.000 0.966 1360 D HN 0.485 nan 8.370 nan 0.000 0.456 1361 I N 0.432 121.030 120.570 0.046 0.000 2.286 1361 I HA -0.208 3.962 4.170 0.000 0.000 0.248 1361 I C 2.511 178.767 176.117 0.232 0.000 1.115 1361 I CA 0.967 62.347 61.300 0.132 0.000 1.392 1361 I CB -0.366 37.776 38.000 0.237 0.000 1.065 1361 I HN 0.042 nan 8.210 nan 0.000 0.418 1362 A N 0.830 123.858 122.820 0.346 0.000 1.902 1362 A HA -0.194 4.127 4.320 0.000 0.000 0.217 1362 A C 2.386 180.105 177.584 0.226 0.000 1.181 1362 A CA 1.390 53.630 52.037 0.340 0.000 0.623 1362 A CB -0.425 18.844 19.000 0.448 0.000 0.818 1362 A HN 0.258 nan 8.150 nan 0.000 0.443 1363 M N -0.523 119.190 119.600 0.189 0.000 2.117 1363 M HA -0.189 4.291 4.480 0.000 0.000 0.262 1363 M C 2.303 178.678 176.300 0.126 0.000 1.065 1363 M CA 1.556 56.936 55.300 0.134 0.000 1.114 1363 M CB -1.328 31.321 32.600 0.082 0.000 1.361 1363 M HN 0.553 nan 8.290 nan 0.000 0.408 1364 Q N -0.157 119.710 119.800 0.112 0.000 2.020 1364 Q HA -0.141 4.199 4.340 0.000 0.000 0.202 1364 Q C 2.075 178.154 176.000 0.132 0.000 0.982 1364 Q CA 2.051 57.910 55.803 0.093 0.000 0.838 1364 Q CB -0.375 28.391 28.738 0.047 0.000 0.899 1364 Q HN 0.581 nan 8.270 nan 0.000 0.423 1365 V N -2.408 117.590 119.914 0.139 0.000 2.626 1365 V HA -0.014 4.106 4.120 0.000 0.000 0.252 1365 V C 1.903 178.145 176.094 0.246 0.000 1.067 1365 V CA 1.836 64.243 62.300 0.178 0.000 1.081 1365 V CB -1.234 30.663 31.823 0.123 0.000 0.686 1365 V HN 0.344 nan 8.190 nan 0.000 0.468 1366 G N -0.449 108.491 108.800 0.234 0.000 2.394 1366 G HA2 -0.156 3.804 3.960 0.000 0.000 0.214 1366 G HA3 -0.156 3.804 3.960 0.000 0.000 0.214 1366 G C 1.512 176.566 174.900 0.258 0.000 1.176 1366 G CA 0.775 46.066 45.100 0.319 0.000 0.786 1366 G HN 0.545 nan 8.290 nan 0.000 0.533 1367 Q N -0.924 118.980 119.800 0.173 0.000 2.124 1367 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 1367 Q C 2.194 178.220 176.000 0.043 0.000 0.977 1367 Q CA 1.426 57.275 55.803 0.077 0.000 0.850 1367 Q CB -0.295 28.488 28.738 0.075 0.000 0.901 1367 Q HN 0.638 nan 8.270 nan 0.000 0.429 1368 Y N 1.026 121.324 120.300 -0.003 0.000 2.133 1368 Y HA -0.212 4.338 4.550 0.000 0.000 0.287 1368 Y C 2.393 178.268 175.900 -0.042 0.000 1.134 1368 Y CA 1.734 59.823 58.100 -0.018 0.000 1.133 1368 Y CB -0.380 38.084 38.460 0.007 0.000 0.987 1368 Y HN -0.054 nan 8.280 nan 0.000 0.502 1369 S N 0.801 116.443 115.700 -0.097 0.000 2.359 1369 S HA -0.293 4.177 4.470 0.000 0.000 0.224 1369 S C 2.139 176.535 174.600 -0.339 0.000 1.035 1369 S CA 1.766 59.858 58.200 -0.181 0.000 1.018 1369 S CB -0.612 62.667 63.200 0.131 0.000 0.876 1369 S HN 0.658 nan 8.310 nan 0.000 0.448 1370 M N 1.203 120.505 119.600 -0.497 0.000 2.159 1370 M HA -0.188 4.292 4.480 0.000 0.000 0.263 1370 M C 2.003 177.996 176.300 -0.512 0.000 1.063 1370 M CA 1.530 56.291 55.300 -0.898 0.000 1.110 1370 M CB -0.220 31.634 32.600 -1.243 0.000 1.374 1370 M HN 0.285 nan 8.290 nan 0.000 0.411 1371 Q N -0.269 119.312 119.800 -0.365 0.000 2.311 1371 Q HA -0.135 4.205 4.340 0.000 0.000 0.203 1371 Q C 1.882 177.716 176.000 -0.278 0.000 0.954 1371 Q CA 1.315 56.959 55.803 -0.267 0.000 0.885 1371 Q CB -0.060 28.573 28.738 -0.174 0.000 0.963 1371 Q HN 0.660 nan 8.270 nan 0.000 0.471 1372 R N -0.063 120.212 120.500 -0.376 0.000 2.280 1372 R HA 0.066 4.406 4.340 0.000 0.000 0.195 1372 R C 1.387 177.524 176.300 -0.271 0.000 0.935 1372 R CA 0.418 56.315 56.100 -0.338 0.000 1.033 1372 R CB 0.048 30.055 30.300 -0.488 0.000 0.964 1372 R HN 0.160 nan 8.270 nan 0.000 0.489 1373 L N 0.403 121.448 121.223 -0.296 0.000 2.592 1373 L HA 0.274 4.614 4.340 0.000 0.000 0.227 1373 L C 0.691 177.409 176.870 -0.254 0.000 1.127 1373 L CA 0.080 54.742 54.840 -0.297 0.000 0.884 1373 L CB 0.071 41.921 42.059 -0.348 0.000 1.065 1373 L HN 0.125 nan 8.230 nan 0.000 0.457 1386 L N 2.065 123.332 121.223 0.073 0.000 2.319 1386 L HA 0.507 4.847 4.340 0.000 0.000 0.280 1386 L C 0.016 176.947 176.870 0.103 0.000 1.099 1386 L CA -0.676 54.205 54.840 0.069 0.000 0.828 1386 L CB 1.698 43.814 42.059 0.095 0.000 1.150 1386 L HN -0.146 nan 8.230 nan 0.000 0.442 1387 V N 2.594 122.545 119.914 0.063 0.000 2.394 1387 V HA 0.244 4.364 4.120 0.000 0.000 0.282 1387 V C -0.212 175.879 176.094 -0.005 0.000 1.031 1387 V CA -0.585 61.786 62.300 0.117 0.000 0.881 1387 V CB 1.692 33.600 31.823 0.142 0.000 0.982 1387 V HN 0.610 nan 8.190 nan 0.000 0.451 1388 D N 3.906 124.315 120.400 0.015 0.000 2.303 1388 D HA 0.286 4.926 4.640 0.000 0.000 0.236 1388 D C -0.565 175.779 176.300 0.074 0.000 1.068 1388 D CA -0.320 53.675 54.000 -0.008 0.000 0.830 1388 D CB 2.115 42.932 40.800 0.028 0.000 1.109 1388 D HN 0.263 nan 8.370 nan 0.000 0.496 1389 V N 4.521 124.524 119.914 0.148 0.000 2.338 1389 V HA 0.181 4.301 4.120 0.000 0.000 0.255 1389 V C 0.782 177.159 176.094 0.472 0.000 1.082 1389 V CA -0.251 62.250 62.300 0.334 0.000 0.951 1389 V CB -0.022 32.113 31.823 0.521 0.000 1.102 1389 V HN 0.591 nan 8.190 nan 0.000 0.489 1390 S N 2.492 118.363 115.700 0.285 0.000 2.718 1390 S HA 0.482 4.952 4.470 0.000 0.000 0.300 1390 S C 0.000 174.688 174.600 0.146 0.000 1.117 1390 S CA -0.600 57.761 58.200 0.268 0.000 1.002 1390 S CB 1.481 64.777 63.200 0.160 0.000 1.092 1390 S HN 0.682 nan 8.310 nan 0.000 0.542 1391 D N -0.233 120.233 120.400 0.109 0.000 2.686 1391 D HA -0.161 4.479 4.640 0.000 0.000 0.235 1391 D C -0.350 175.879 176.300 -0.119 0.000 1.160 1391 D CA 0.923 54.925 54.000 0.003 0.000 0.645 1391 D CB -1.396 39.410 40.800 0.010 0.000 1.039 1391 D HN 0.649 nan 8.370 nan 0.000 0.423 1392 M N 0.518 119.918 119.600 -0.334 0.000 2.184 1392 M HA 0.249 4.729 4.480 0.000 0.000 0.351 1392 M C -0.925 175.085 176.300 -0.483 0.000 1.395 1392 M CA -0.145 54.804 55.300 -0.585 0.000 1.117 1392 M CB 0.994 32.677 32.600 -1.530 0.000 1.708 1392 M HN -0.065 nan 8.290 nan 0.000 0.468 1393 V N 6.489 126.200 119.914 -0.339 0.000 2.483 1393 V HA 0.481 4.601 4.120 0.000 0.000 0.297 1393 V C -0.870 175.051 176.094 -0.289 0.000 1.027 1393 V CA -0.887 61.227 62.300 -0.310 0.000 0.855 1393 V CB 1.838 33.533 31.823 -0.212 0.000 0.995 1393 V HN 0.621 nan 8.190 nan 0.000 0.424 1394 V N 4.450 124.178 119.914 -0.310 0.000 2.350 1394 V HA 0.355 4.475 4.120 0.000 0.000 0.276 1394 V C 0.467 176.456 176.094 -0.175 0.000 1.028 1394 V CA -0.178 61.998 62.300 -0.206 0.000 0.860 1394 V CB 1.280 33.029 31.823 -0.123 0.000 0.990 1394 V HN 0.903 nan 8.190 nan 0.000 0.453 1395 D N 3.147 123.471 120.400 -0.126 0.000 2.259 1395 D HA 0.129 4.769 4.640 0.000 0.000 0.216 1395 D C 0.434 176.704 176.300 -0.050 0.000 0.961 1395 D CA 0.784 54.727 54.000 -0.095 0.000 0.878 1395 D CB 0.806 41.546 40.800 -0.100 0.000 1.009 1395 D HN 0.461 nan 8.370 nan 0.000 0.490 1396 K N 0.386 120.775 120.400 -0.018 0.000 2.468 1396 K HA 0.601 4.921 4.320 0.000 0.000 0.252 1396 K C -0.983 175.712 176.600 0.159 0.000 0.932 1396 K CA -0.651 55.654 56.287 0.028 0.000 0.794 1396 K CB 3.107 35.578 32.500 -0.049 0.000 1.241 1396 K HN -0.093 nan 8.250 nan 0.000 0.428 1397 A N 1.999 124.886 122.820 0.112 0.000 2.483 1397 A HA 0.222 4.542 4.320 0.000 0.000 0.238 1397 A C -0.601 177.068 177.584 0.142 0.000 1.070 1397 A CA -0.055 52.038 52.037 0.093 0.000 0.770 1397 A CB 0.045 19.062 19.000 0.029 0.000 1.008 1397 A HN 0.543 nan 8.150 nan 0.000 0.497 1398 L N 3.433 124.626 121.223 -0.049 0.000 2.316 1398 L HA 0.567 4.907 4.340 0.000 0.000 0.280 1398 L C -0.804 175.941 176.870 -0.208 0.000 1.006 1398 L CA -0.161 54.514 54.840 -0.276 0.000 0.836 1398 L CB 1.521 43.214 42.059 -0.610 0.000 1.221 1398 L HN 0.331 nan 8.230 nan 0.000 0.418 1399 V N 7.379 127.216 119.914 -0.128 0.000 2.311 1399 V HA 0.393 4.513 4.120 0.000 0.000 0.275 1399 V C -2.066 173.934 176.094 -0.157 0.000 1.022 1399 V CA -1.378 60.851 62.300 -0.118 0.000 0.830 1399 V CB 1.094 32.894 31.823 -0.038 0.000 1.012 1399 V HN 0.704 nan 8.190 nan 0.000 0.452 1400 P HA 0.131 nan 4.420 nan 0.000 0.266 1400 P C 0.460 177.637 177.300 -0.206 0.000 1.419 1400 P CA -0.037 62.887 63.100 -0.293 0.000 1.112 1400 P CB 0.061 31.588 31.700 -0.288 0.000 1.438 1401 H N 1.775 120.814 119.070 -0.053 0.000 2.423 1401 H HA 0.021 4.577 4.556 0.000 0.000 0.297 1401 H C 1.506 176.822 175.328 -0.021 0.000 1.075 1401 H CA 0.947 56.978 56.048 -0.028 0.000 1.342 1401 H CB -0.980 28.779 29.762 -0.006 0.000 1.395 1401 H HN 0.409 nan 8.280 nan 0.000 0.530 1402 G N 0.402 109.227 108.800 0.043 0.000 2.198 1402 G HA2 -0.344 3.616 3.960 0.000 0.000 0.260 1402 G HA3 -0.344 3.616 3.960 0.000 0.000 0.260 1402 G C -0.145 174.894 174.900 0.231 0.000 1.025 1402 G CA 0.409 45.572 45.100 0.105 0.000 0.769 1402 G HN 0.599 nan 8.290 nan 0.000 0.507 1403 K N 0.573 121.272 120.400 0.498 0.000 2.459 1403 K HA 0.541 4.861 4.320 0.000 0.000 0.218 1403 K C 0.947 177.647 176.600 0.167 0.000 1.067 1403 K CA 0.014 56.407 56.287 0.177 0.000 1.045 1403 K CB 0.812 33.290 32.500 -0.036 0.000 1.623 1403 K HN 1.371 nan 8.250 nan 0.000 0.509 1404 G N 2.815 111.707 108.800 0.155 0.000 2.760 1404 G HA2 -0.199 3.761 3.960 0.000 0.000 0.246 1404 G HA3 -0.199 3.761 3.960 0.000 0.000 0.246 1404 G C -2.833 172.178 174.900 0.185 0.000 1.359 1404 G CA -1.317 43.863 45.100 0.134 0.000 0.861 1404 G HN 0.262 nan 8.290 nan 0.000 0.541 1405 P HA 0.315 nan 4.420 nan 0.000 0.265 1405 P C -0.386 177.018 177.300 0.174 0.000 1.193 1405 P CA 0.523 63.706 63.100 0.137 0.000 0.765 1405 P CB 0.800 32.570 31.700 0.116 0.000 0.823 1406 Q N 3.154 123.008 119.800 0.090 0.000 2.695 1406 Q HA 0.309 4.649 4.340 0.000 0.000 0.246 1406 Q C -1.347 174.669 176.000 0.027 0.000 0.961 1406 Q CA -0.336 55.489 55.803 0.036 0.000 0.708 1406 Q CB 0.257 28.854 28.738 -0.236 0.000 1.282 1406 Q HN 0.382 nan 8.270 nan 0.000 0.482 1407 L N 4.158 125.427 121.223 0.077 0.000 2.315 1407 L HA 0.298 4.638 4.340 0.000 0.000 0.283 1407 L C -0.358 176.583 176.870 0.117 0.000 1.089 1407 L CA -0.642 54.254 54.840 0.093 0.000 0.833 1407 L CB 0.413 42.539 42.059 0.112 0.000 1.170 1407 L HN 0.504 nan 8.230 nan 0.000 0.442 1408 L N 5.474 126.763 121.223 0.110 0.000 2.257 1408 L HA 0.391 4.731 4.340 0.000 0.000 0.290 1408 L C -0.006 176.977 176.870 0.190 0.000 1.044 1408 L CA 0.031 54.975 54.840 0.173 0.000 0.810 1408 L CB 0.938 43.108 42.059 0.184 0.000 1.193 1408 L HN 0.528 nan 8.230 nan 0.000 0.425 1409 R N 3.142 123.786 120.500 0.239 0.000 2.294 1409 R HA 0.560 4.900 4.340 0.000 0.000 0.319 1409 R C -0.988 175.383 176.300 0.118 0.000 0.984 1409 R CA -0.343 55.845 56.100 0.147 0.000 0.861 1409 R CB 0.971 31.329 30.300 0.097 0.000 1.104 1409 R HN 0.732 nan 8.270 nan 0.000 0.451 1410 T N 3.220 117.790 114.554 0.027 0.000 2.770 1410 T HA 0.273 4.623 4.350 0.000 0.000 0.283 1410 T C -0.738 173.872 174.700 -0.150 0.000 0.988 1410 T CA -0.363 61.659 62.100 -0.131 0.000 0.957 1410 T CB 1.599 70.423 68.868 -0.073 0.000 0.930 1410 T HN 0.475 nan 8.240 nan 0.000 0.443 1411 T N 4.282 118.710 114.554 -0.211 0.000 2.791 1411 T HA 0.539 4.889 4.350 0.000 0.000 0.288 1411 T C -0.529 174.085 174.700 -0.145 0.000 0.999 1411 T CA -0.567 61.453 62.100 -0.133 0.000 0.952 1411 T CB 0.738 69.552 68.868 -0.091 0.000 0.938 1411 T HN 0.436 nan 8.240 nan 0.000 0.444 1412 L N 4.360 125.538 121.223 -0.074 0.000 2.322 1412 L HA 0.810 5.150 4.340 0.000 0.000 0.281 1412 L C -0.239 176.632 176.870 0.001 0.000 1.014 1412 L CA -0.301 54.520 54.840 -0.032 0.000 0.815 1412 L CB 1.416 43.493 42.059 0.030 0.000 1.247 1412 L HN 0.765 nan 8.230 nan 0.000 0.421 1413 T N 2.193 116.746 114.554 -0.001 0.000 2.893 1413 T HA 0.685 5.035 4.350 0.000 0.000 0.293 1413 T C -0.535 174.177 174.700 0.019 0.000 1.027 1413 T CA -0.817 61.281 62.100 -0.004 0.000 0.988 1413 T CB 1.694 70.539 68.868 -0.038 0.000 1.043 1413 T HN 0.588 nan 8.240 nan 0.000 0.461 1414 M N 1.520 121.128 119.600 0.013 0.000 2.658 1414 M HA 0.609 5.089 4.480 0.000 0.000 0.295 1414 M C -0.920 175.279 176.300 -0.169 0.000 1.248 1414 M CA -0.729 54.606 55.300 0.057 0.000 0.843 1414 M CB 2.985 35.781 32.600 0.326 0.000 1.749 1414 M HN 0.741 nan 8.290 nan 0.000 0.464 1415 E N 0.727 120.861 120.200 -0.110 0.000 2.390 1415 E HA 0.650 5.000 4.350 0.000 0.000 0.277 1415 E C -2.043 174.537 176.600 -0.033 0.000 0.939 1415 E CA -0.762 55.449 56.400 -0.316 0.000 0.769 1415 E CB 2.850 32.446 29.700 -0.174 0.000 1.251 1415 E HN 0.626 nan 8.360 nan 0.000 0.450 1416 W N -0.193 121.117 121.300 0.016 0.000 3.161 1416 W HA 0.500 5.160 4.660 0.000 0.000 0.314 1416 W C -3.350 173.176 176.519 0.012 0.000 1.245 1416 W CA -1.920 55.435 57.345 0.017 0.000 1.191 1416 W CB -0.902 28.572 29.460 0.023 0.000 1.392 1416 W HN 0.209 nan 8.180 nan 0.000 0.568 1417 P HA 0.277 nan 4.420 nan 0.000 0.272 1417 P C -2.341 175.132 177.300 0.289 0.000 1.230 1417 P CA -0.786 62.437 63.100 0.205 0.000 0.788 1417 P CB 0.083 31.865 31.700 0.137 0.000 0.949 1418 P HA -0.124 nan 4.420 nan 0.000 0.261 1418 P C 0.061 177.448 177.300 0.145 0.000 1.165 1418 P CA 0.651 63.853 63.100 0.170 0.000 0.759 1418 P CB -0.195 31.561 31.700 0.094 0.000 0.772 1419 K N 1.178 121.660 120.400 0.137 0.000 3.003 1419 K HA -0.247 4.073 4.320 0.000 0.000 0.257 1419 K C 0.156 176.737 176.600 -0.032 0.000 0.958 1419 K CA 1.359 57.666 56.287 0.034 0.000 0.707 1419 K CB -2.575 29.938 32.500 0.021 0.000 1.279 1419 K HN 0.405 nan 8.250 nan 0.000 0.479 1420 A N -0.706 122.088 122.820 -0.044 0.000 2.609 1420 A HA 0.645 4.965 4.320 0.000 0.000 0.286 1420 A C 1.930 179.336 177.584 -0.296 0.000 1.138 1420 A CA 0.257 52.242 52.037 -0.087 0.000 0.960 1420 A CB 0.425 19.450 19.000 0.042 0.000 1.208 1420 A HN 0.592 nan 8.150 nan 0.000 0.541 1421 A N 0.375 122.728 122.820 -0.777 0.000 1.948 1421 A HA 0.062 4.382 4.320 0.000 0.000 0.220 1421 A C 2.297 179.473 177.584 -0.680 0.000 1.177 1421 A CA 2.017 53.186 52.037 -1.447 0.000 0.636 1421 A CB -0.689 17.134 19.000 -1.962 0.000 0.815 1421 A HN 1.288 nan 8.150 nan 0.000 0.449 1422 A N -0.529 122.037 122.820 -0.423 0.000 2.125 1422 A HA -0.036 4.284 4.320 0.000 0.000 0.219 1422 A C 2.149 179.640 177.584 -0.156 0.000 1.156 1422 A CA 2.138 54.019 52.037 -0.261 0.000 0.671 1422 A CB -0.988 17.897 19.000 -0.192 0.000 0.794 1422 A HN 0.838 nan 8.150 nan 0.000 0.459 1423 T N -3.793 110.692 114.554 -0.115 0.000 3.086 1423 T HA 0.134 4.484 4.350 0.000 0.000 0.250 1423 T C 0.602 175.334 174.700 0.053 0.000 1.074 1423 T CA 0.478 62.566 62.100 -0.020 0.000 0.988 1423 T CB -0.561 68.305 68.868 -0.002 0.000 0.988 1423 T HN 0.176 nan 8.240 nan 0.000 0.530 1424 T N 2.952 117.543 114.554 0.062 0.000 2.908 1424 T HA 0.189 4.539 4.350 0.000 0.000 0.301 1424 T C 0.843 175.735 174.700 0.320 0.000 1.019 1424 T CA -0.001 62.220 62.100 0.201 0.000 1.152 1424 T CB 0.676 69.716 68.868 0.287 0.000 0.966 1424 T HN 0.328 nan 8.240 nan 0.000 0.540 1425 R N 1.179 121.813 120.500 0.223 0.000 2.565 1425 R HA 0.239 4.579 4.340 0.000 0.000 0.347 1425 R C 0.242 176.345 176.300 -0.329 0.000 1.010 1425 R CA -0.145 56.061 56.100 0.176 0.000 1.126 1425 R CB 0.577 30.947 30.300 0.116 0.000 1.331 1425 R HN 0.750 nan 8.270 nan 0.000 0.552 1426 S N -0.952 114.561 115.700 -0.312 0.000 2.588 1426 S HA 0.822 5.292 4.470 0.000 0.000 0.269 1426 S C -1.466 173.017 174.600 -0.195 0.000 1.157 1426 S CA -0.758 57.192 58.200 -0.418 0.000 0.824 1426 S CB 2.450 65.536 63.200 -0.190 0.000 1.126 1426 S HN 0.059 nan 8.310 nan 0.000 0.464 1427 A N 1.449 124.170 122.820 -0.165 0.000 2.547 1427 A HA 0.783 5.103 4.320 0.000 0.000 0.297 1427 A C -1.427 176.141 177.584 -0.026 0.000 1.056 1427 A CA -0.910 51.117 52.037 -0.017 0.000 0.688 1427 A CB 1.412 20.463 19.000 0.085 0.000 1.282 1427 A HN 0.599 nan 8.150 nan 0.000 0.400 1428 K N 1.015 121.405 120.400 -0.017 0.000 2.205 1428 K HA 0.593 4.913 4.320 0.000 0.000 0.279 1428 K C -0.718 175.849 176.600 -0.055 0.000 1.027 1428 K CA -0.259 56.008 56.287 -0.033 0.000 0.932 1428 K CB 1.540 34.018 32.500 -0.038 0.000 1.032 1428 K HN 0.459 nan 8.250 nan 0.000 0.466 1429 V N 3.138 123.003 119.914 -0.081 0.000 2.656 1429 V HA 0.425 4.545 4.120 0.000 0.000 0.307 1429 V C -0.273 175.638 176.094 -0.306 0.000 1.051 1429 V CA -0.954 61.221 62.300 -0.209 0.000 0.893 1429 V CB 2.079 33.783 31.823 -0.198 0.000 0.999 1429 V HN 0.589 nan 8.190 nan 0.000 0.426 1430 K N 3.401 123.533 120.400 -0.447 0.000 2.371 1430 K HA 0.725 5.045 4.320 0.000 0.000 0.251 1430 K C -1.805 174.459 176.600 -0.560 0.000 0.934 1430 K CA -0.504 55.575 56.287 -0.347 0.000 0.798 1430 K CB 2.507 34.914 32.500 -0.155 0.000 1.204 1430 K HN 0.490 nan 8.250 nan 0.000 0.427 1431 F N 1.252 121.149 119.950 -0.089 0.000 2.477 1431 F HA 0.627 5.154 4.527 0.000 0.000 0.335 1431 F C -0.030 175.764 175.800 -0.009 0.000 1.130 1431 F CA -0.705 57.258 58.000 -0.062 0.000 0.948 1431 F CB 2.093 40.928 39.000 -0.276 0.000 1.154 1431 F HN 0.506 nan 8.300 nan 0.000 0.439 1432 A N 1.194 124.158 122.820 0.240 0.000 2.574 1432 A HA 0.790 5.110 4.320 0.000 0.000 0.297 1432 A C -0.609 177.090 177.584 0.192 0.000 1.062 1432 A CA -0.838 51.286 52.037 0.146 0.000 0.686 1432 A CB 1.243 20.213 19.000 -0.051 0.000 1.285 1432 A HN 0.664 nan 8.150 nan 0.000 0.403 1433 T N -0.854 113.740 114.554 0.066 0.000 2.907 1433 T HA 0.742 5.092 4.350 0.000 0.000 0.284 1433 T C -0.747 173.764 174.700 -0.315 0.000 1.004 1433 T CA -0.252 61.868 62.100 0.033 0.000 1.063 1433 T CB 0.720 69.636 68.868 0.080 0.000 0.992 1433 T HN 0.445 nan 8.240 nan 0.000 0.483 1434 Y N 0.146 120.338 120.300 -0.179 0.000 2.512 1434 Y HA 0.577 5.127 4.550 0.000 0.000 0.348 1434 Y C -0.074 175.694 175.900 -0.219 0.000 0.990 1434 Y CA -1.578 56.376 58.100 -0.243 0.000 1.033 1434 Y CB 1.493 39.920 38.460 -0.055 0.000 1.259 1434 Y HN 0.613 nan 8.280 nan 0.000 0.461 1441 D N 1.197 121.132 120.400 -0.774 0.000 2.943 1441 D HA 0.297 4.937 4.640 0.000 0.000 0.282 1441 D C -0.358 175.705 176.300 -0.396 0.000 1.148 1441 D CA 0.924 54.448 54.000 -0.792 0.000 1.006 1441 D CB 1.112 41.206 40.800 -1.176 0.000 1.168 1441 D HN 0.557 nan 8.370 nan 0.000 0.450 1442 T N 0.240 114.518 114.554 -0.459 0.000 3.097 1442 T HA 0.285 4.636 4.350 0.000 0.000 0.332 1442 T C -1.440 172.874 174.700 -0.644 0.000 1.269 1442 T CA -0.709 61.101 62.100 -0.483 0.000 1.076 1442 T CB 2.143 70.710 68.868 -0.501 0.000 1.209 1442 T HN -0.080 nan 8.240 nan 0.000 0.474 1443 E N 1.523 121.430 120.200 -0.488 0.000 2.130 1443 E HA 0.282 4.633 4.350 0.000 0.000 0.284 1443 E C 0.077 176.427 176.600 -0.417 0.000 1.018 1443 E CA -0.277 55.910 56.400 -0.355 0.000 0.817 1443 E CB 1.052 30.629 29.700 -0.206 0.000 1.078 1443 E HN 0.645 nan 8.360 nan 0.000 0.396 1444 H N 1.718 120.721 119.070 -0.113 0.000 2.406 1444 H HA 0.285 4.841 4.556 0.000 0.000 0.304 1444 H C 0.299 175.483 175.328 -0.239 0.000 1.042 1444 H CA 0.718 56.675 56.048 -0.152 0.000 1.360 1444 H CB 0.588 30.270 29.762 -0.132 0.000 1.448 1444 H HN 0.502 nan 8.280 nan 0.000 0.553 1445 A N -0.119 122.597 122.820 -0.173 0.000 2.568 1445 A HA 0.702 5.022 4.320 0.000 0.000 0.291 1445 A C -1.095 176.514 177.584 0.041 0.000 1.159 1445 A CA -0.089 51.817 52.037 -0.217 0.000 0.679 1445 A CB 1.298 19.928 19.000 -0.618 0.000 1.285 1445 A HN 0.319 nan 8.150 nan 0.000 0.428 1446 S N -1.537 114.182 115.700 0.033 0.000 2.565 1446 S HA 0.796 5.266 4.470 0.000 0.000 0.269 1446 S C -0.525 174.115 174.600 0.068 0.000 1.153 1446 S CA -0.187 58.070 58.200 0.095 0.000 0.835 1446 S CB 0.775 63.966 63.200 -0.015 0.000 1.122 1446 S HN 2.654 nan 8.310 nan 0.000 0.462 1447 C N -0.418 118.944 119.300 0.103 0.000 3.306 1447 C HA 0.887 5.347 4.460 0.000 0.000 0.335 1447 C C -0.810 174.213 174.990 0.055 0.000 1.382 1447 C CA -0.481 58.579 59.018 0.071 0.000 1.254 1447 C CB 0.859 28.686 27.740 0.145 0.000 1.555 1447 C HN 0.982 nan 8.230 nan 0.000 0.463 1448 T N 2.197 116.778 114.554 0.046 0.000 2.815 1448 T HA 0.582 4.932 4.350 0.000 0.000 0.289 1448 T C 0.087 174.796 174.700 0.015 0.000 1.000 1448 T CA -0.292 61.815 62.100 0.012 0.000 0.958 1448 T CB 0.982 69.846 68.868 -0.008 0.000 0.944 1448 T HN 1.554 nan 8.240 nan 0.000 0.442 1449 V N 2.840 122.746 119.914 -0.015 0.000 2.583 1449 V HA 0.675 4.795 4.120 0.000 0.000 0.287 1449 V C -0.081 175.846 176.094 -0.279 0.000 1.051 1449 V CA -0.763 61.510 62.300 -0.044 0.000 1.010 1449 V CB 0.568 32.415 31.823 0.040 0.000 0.988 1449 V HN 0.751 nan 8.190 nan 0.000 0.478 1450 R N 3.519 123.862 120.500 -0.262 0.000 2.621 1450 R HA 0.604 4.944 4.340 0.000 0.000 0.292 1450 R C -1.603 174.523 176.300 -0.290 0.000 0.969 1450 R CA -0.565 55.294 56.100 -0.402 0.000 0.887 1450 R CB 2.114 32.327 30.300 -0.146 0.000 1.180 1450 R HN 0.701 nan 8.270 nan 0.000 0.450 1451 F N 1.111 121.083 119.950 0.037 0.000 2.384 1451 F HA 0.232 4.759 4.527 0.000 0.000 0.359 1451 F C 1.084 176.901 175.800 0.027 0.000 1.143 1451 F CA -0.652 57.362 58.000 0.023 0.000 1.216 1451 F CB 0.644 39.652 39.000 0.013 0.000 1.512 1451 F HN 0.317 nan 8.300 nan 0.000 0.573 1452 T N 1.027 115.666 114.554 0.142 0.000 2.824 1452 T HA 0.491 4.841 4.350 0.000 0.000 0.277 1452 T C 0.578 175.337 174.700 0.097 0.000 0.975 1452 T CA -0.451 61.708 62.100 0.097 0.000 0.966 1452 T CB 0.671 69.586 68.868 0.080 0.000 1.054 1452 T HN 0.601 nan 8.240 nan 0.000 0.533 1453 S N 0.796 116.543 115.700 0.077 0.000 2.681 1453 S HA 0.316 4.786 4.470 0.000 0.000 0.270 1453 S C 0.277 174.916 174.600 0.064 0.000 1.209 1453 S CA -0.398 57.839 58.200 0.062 0.000 0.988 1453 S CB 0.859 64.087 63.200 0.046 0.000 1.006 1453 S HN 0.801 nan 8.310 nan 0.000 0.558 1454 D N -0.768 119.656 120.400 0.040 0.000 2.358 1454 D HA 0.312 4.952 4.640 0.000 0.000 0.224 1454 D C 1.434 177.725 176.300 -0.016 0.000 1.123 1454 D CA 0.158 54.169 54.000 0.018 0.000 0.833 1454 D CB -0.341 40.459 40.800 -0.000 0.000 0.946 1454 D HN 0.519 nan 8.370 nan 0.000 0.505 1455 A N 0.770 123.592 122.820 0.003 0.000 1.883 1455 A HA -0.298 4.022 4.320 0.000 0.000 0.217 1455 A C 2.188 179.753 177.584 -0.031 0.000 1.186 1455 A CA 1.855 53.886 52.037 -0.010 0.000 0.624 1455 A CB -0.771 18.234 19.000 0.009 0.000 0.822 1455 A HN 0.371 nan 8.150 nan 0.000 0.444 1456 Q N -0.925 118.867 119.800 -0.015 0.000 2.050 1456 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 1456 Q C 2.001 177.911 176.000 -0.150 0.000 0.980 1456 Q CA 1.740 57.515 55.803 -0.046 0.000 0.840 1456 Q CB -0.294 28.462 28.738 0.030 0.000 0.898 1456 Q HN 0.520 nan 8.270 nan 0.000 0.424 1457 L N 1.276 122.374 121.223 -0.209 0.000 1.990 1457 L HA -0.216 4.124 4.340 0.000 0.000 0.213 1457 L C 1.943 178.639 176.870 -0.291 0.000 1.072 1457 L CA 2.043 56.595 54.840 -0.479 0.000 0.755 1457 L CB -0.501 41.210 42.059 -0.580 0.000 0.889 1457 L HN 0.124 nan 8.230 nan 0.000 0.432 1458 K N -1.011 119.285 120.400 -0.173 0.000 2.103 1458 K HA -0.172 4.148 4.320 0.000 0.000 0.207 1458 K C 2.348 178.888 176.600 -0.100 0.000 1.048 1458 K CA 1.515 57.733 56.287 -0.116 0.000 0.930 1458 K CB -0.382 32.074 32.500 -0.073 0.000 0.716 1458 K HN 0.445 nan 8.250 nan 0.000 0.444 1459 S N 1.097 116.738 115.700 -0.099 0.000 2.368 1459 S HA -0.060 4.410 4.470 0.000 0.000 0.224 1459 S C 1.935 176.483 174.600 -0.087 0.000 1.029 1459 S CA 0.820 58.972 58.200 -0.080 0.000 0.988 1459 S CB -0.159 62.999 63.200 -0.070 0.000 0.838 1459 S HN 0.191 nan 8.310 nan 0.000 0.462 1460 L N 0.802 121.945 121.223 -0.133 0.000 2.083 1460 L HA -0.067 4.273 4.340 0.000 0.000 0.209 1460 L C 2.889 179.749 176.870 -0.016 0.000 1.083 1460 L CA 1.327 56.117 54.840 -0.083 0.000 0.752 1460 L CB -0.459 41.474 42.059 -0.210 0.000 0.899 1460 L HN 0.275 nan 8.230 nan 0.000 0.433 1461 R N -0.278 120.175 120.500 -0.078 0.000 2.120 1461 R HA -0.128 4.212 4.340 0.000 0.000 0.234 1461 R C 2.333 178.618 176.300 -0.025 0.000 1.123 1461 R CA 1.106 57.177 56.100 -0.048 0.000 0.975 1461 R CB -0.202 30.052 30.300 -0.078 0.000 0.866 1461 R HN 0.346 nan 8.270 nan 0.000 0.446 1462 R N -0.460 120.017 120.500 -0.039 0.000 2.236 1462 R HA 0.053 4.393 4.340 0.000 0.000 0.208 1462 R C 1.373 177.642 176.300 -0.051 0.000 1.036 1462 R CA 0.813 56.889 56.100 -0.041 0.000 1.001 1462 R CB 0.256 30.529 30.300 -0.045 0.000 0.896 1462 R HN 0.045 nan 8.270 nan 0.000 0.464 1463 S N 0.038 115.708 115.700 -0.051 0.000 2.556 1463 S HA 0.048 4.518 4.470 0.000 0.000 0.216 1463 S C 1.738 176.284 174.600 -0.090 0.000 0.970 1463 S CA -0.139 57.977 58.200 -0.140 0.000 0.912 1463 S CB 0.508 63.557 63.200 -0.251 0.000 0.790 1463 S HN 0.011 nan 8.310 nan 0.000 0.504 1464 V N 2.769 122.720 119.914 0.062 0.000 2.252 1464 V HA -0.253 3.867 4.120 0.000 0.000 0.249 1464 V C 2.782 178.916 176.094 0.068 0.000 1.056 1464 V CA 2.339 64.727 62.300 0.146 0.000 1.022 1464 V CB -1.158 30.718 31.823 0.089 0.000 0.641 1464 V HN 0.742 nan 8.190 nan 0.000 0.445 1465 S N -0.372 115.323 115.700 -0.009 0.000 2.400 1465 S HA -0.308 4.162 4.470 0.000 0.000 0.232 1465 S C 1.949 176.490 174.600 -0.098 0.000 1.025 1465 S CA 1.986 60.163 58.200 -0.039 0.000 0.993 1465 S CB -0.503 62.667 63.200 -0.049 0.000 0.808 1465 S HN 0.763 nan 8.310 nan 0.000 0.478 1466 E N -0.270 119.826 120.200 -0.173 0.000 2.072 1466 E HA -0.149 4.201 4.350 0.000 0.000 0.191 1466 E C 1.714 178.110 176.600 -0.340 0.000 0.985 1466 E CA 1.170 57.382 56.400 -0.314 0.000 0.801 1466 E CB -0.252 29.224 29.700 -0.373 0.000 0.750 1466 E HN 0.698 nan 8.360 nan 0.000 0.452 1467 Y N 1.209 121.457 120.300 -0.086 0.000 2.200 1467 Y HA -0.135 4.415 4.550 0.000 0.000 0.290 1467 Y C 2.319 178.126 175.900 -0.154 0.000 1.137 1467 Y CA 1.019 59.062 58.100 -0.095 0.000 1.163 1467 Y CB -0.144 38.329 38.460 0.021 0.000 0.988 1467 Y HN -0.052 nan 8.280 nan 0.000 0.518 1468 K N -0.507 119.935 120.400 0.070 0.000 2.063 1468 K HA -0.127 4.193 4.320 0.000 0.000 0.208 1468 K C 1.995 178.589 176.600 -0.010 0.000 1.048 1468 K CA 1.742 58.052 56.287 0.038 0.000 0.928 1468 K CB -0.989 31.531 32.500 0.033 0.000 0.713 1468 K HN 0.294 nan 8.250 nan 0.000 0.442 1469 T N 0.305 114.804 114.554 -0.090 0.000 2.777 1469 T HA -0.106 4.244 4.350 0.000 0.000 0.266 1469 T C 1.744 176.387 174.700 -0.094 0.000 1.040 1469 T CA 1.262 63.294 62.100 -0.113 0.000 1.141 1469 T CB -0.266 68.483 68.868 -0.198 0.000 0.868 1469 T HN 0.425 nan 8.240 nan 0.000 0.444 1470 H N 0.276 119.263 119.070 -0.138 0.000 2.353 1470 H HA 0.057 4.613 4.556 0.000 0.000 0.300 1470 H C 2.218 177.465 175.328 -0.135 0.000 1.090 1470 H CA 1.179 57.104 56.048 -0.204 0.000 1.327 1470 H CB -0.130 29.289 29.762 -0.572 0.000 1.383 1470 H HN 0.249 nan 8.280 nan 0.000 0.508 1471 I N 0.262 120.824 120.570 -0.014 0.000 2.179 1471 I HA -0.276 3.894 4.170 0.000 0.000 0.242 1471 I C 2.704 178.961 176.117 0.234 0.000 1.088 1471 I CA 1.139 62.513 61.300 0.123 0.000 1.357 1471 I CB -0.245 37.852 38.000 0.162 0.000 1.051 1471 I HN 0.209 nan 8.210 nan 0.000 0.409 1472 R N 0.916 121.526 120.500 0.184 0.000 2.081 1472 R HA -0.213 4.127 4.340 0.000 0.000 0.235 1472 R C 2.272 178.692 176.300 0.201 0.000 1.131 1472 R CA 1.632 57.851 56.100 0.197 0.000 0.960 1472 R CB -0.118 30.241 30.300 0.098 0.000 0.856 1472 R HN 0.463 nan 8.270 nan 0.000 0.436 1473 Q N 0.092 119.989 119.800 0.161 0.000 2.167 1473 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 1473 Q C 2.231 178.394 176.000 0.271 0.000 0.970 1473 Q CA 1.206 57.123 55.803 0.189 0.000 0.855 1473 Q CB -0.002 28.841 28.738 0.175 0.000 0.911 1473 Q HN 0.397 nan 8.270 nan 0.000 0.438 1474 L N -0.223 121.129 121.223 0.214 0.000 2.056 1474 L HA -0.179 4.161 4.340 0.000 0.000 0.207 1474 L C 2.365 179.381 176.870 0.243 0.000 1.078 1474 L CA 0.928 55.879 54.840 0.186 0.000 0.749 1474 L CB -0.443 41.602 42.059 -0.023 0.000 0.901 1474 L HN 0.342 nan 8.230 nan 0.000 0.433 1475 H N -0.251 118.966 119.070 0.244 0.000 2.389 1475 H HA -0.126 4.430 4.556 0.000 0.000 0.299 1475 H C 1.697 177.144 175.328 0.200 0.000 1.081 1475 H CA 1.366 57.544 56.048 0.217 0.000 1.345 1475 H CB 0.018 29.860 29.762 0.133 0.000 1.393 1475 H HN 0.372 nan 8.280 nan 0.000 0.520 1476 D N -0.094 120.469 120.400 0.273 0.000 2.144 1476 D HA -0.082 4.558 4.640 0.000 0.000 0.200 1476 D C 2.371 178.735 176.300 0.106 0.000 0.978 1476 D CA 0.995 55.089 54.000 0.157 0.000 0.833 1476 D CB -0.523 40.350 40.800 0.122 0.000 0.961 1476 D HN 0.412 nan 8.370 nan 0.000 0.470 1477 G N -0.035 108.872 108.800 0.177 0.000 2.418 1477 G HA2 -0.309 3.651 3.960 0.000 0.000 0.217 1477 G HA3 -0.309 3.651 3.960 0.000 0.000 0.217 1477 G C 1.539 176.366 174.900 -0.121 0.000 1.158 1477 G CA 1.139 46.186 45.100 -0.089 0.000 0.771 1477 G HN 0.358 nan 8.290 nan 0.000 0.545 1478 H N 1.279 120.399 119.070 0.084 0.000 2.353 1478 H HA 0.158 4.714 4.556 0.000 0.000 0.300 1478 H C 2.544 177.874 175.328 0.002 0.000 1.090 1478 H CA 1.683 57.765 56.048 0.057 0.000 1.327 1478 H CB -0.392 29.444 29.762 0.123 0.000 1.383 1478 H HN 0.259 nan 8.280 nan 0.000 0.508 1479 A N 0.384 123.115 122.820 -0.149 0.000 2.178 1479 A HA -0.103 4.217 4.320 0.000 0.000 0.218 1479 A C 1.897 179.367 177.584 -0.189 0.000 1.157 1479 A CA 1.510 53.428 52.037 -0.199 0.000 0.689 1479 A CB -0.236 18.740 19.000 -0.040 0.000 0.787 1479 A HN 0.540 nan 8.150 nan 0.000 0.465 1480 K N -1.767 118.527 120.400 -0.177 0.000 2.373 1480 K HA 0.298 4.618 4.320 0.000 0.000 0.202 1480 K C 0.853 177.345 176.600 -0.180 0.000 1.025 1480 K CA 0.382 56.575 56.287 -0.156 0.000 1.115 1480 K CB 0.358 32.776 32.500 -0.136 0.000 0.858 1480 K HN 0.549 nan 8.250 nan 0.000 0.525 1481 G N 2.129 110.796 108.800 -0.221 0.000 2.143 1481 G HA2 -0.321 3.639 3.960 0.000 0.000 0.248 1481 G HA3 -0.321 3.639 3.960 0.000 0.000 0.248 1481 G C 0.601 175.396 174.900 -0.173 0.000 0.991 1481 G CA 0.449 45.444 45.100 -0.175 0.000 0.689 1481 G HN 0.402 nan 8.290 nan 0.000 0.522 1482 Q N -1.521 118.100 119.800 -0.299 0.000 2.204 1482 Q HA 0.333 4.673 4.340 0.000 0.000 0.198 1482 Q C 0.452 176.196 176.000 -0.426 0.000 0.946 1482 Q CA 0.787 56.294 55.803 -0.493 0.000 0.859 1482 Q CB 0.353 28.535 28.738 -0.925 0.000 0.946 1482 Q HN 0.545 nan 8.270 nan 0.000 0.474 1483 F N -0.279 119.718 119.950 0.078 0.000 2.579 1483 F HA 0.427 4.954 4.527 0.000 0.000 0.324 1483 F C 0.114 175.981 175.800 0.112 0.000 1.058 1483 F CA -1.483 56.569 58.000 0.086 0.000 0.944 1483 F CB 0.803 39.853 39.000 0.084 0.000 1.245 1483 F HN -0.137 nan 8.300 nan 0.000 0.477 1484 M N 1.903 121.654 119.600 0.251 0.000 2.235 1484 M HA 0.310 4.790 4.480 0.000 0.000 0.351 1484 M C -0.204 176.041 176.300 -0.092 0.000 1.178 1484 M CA 0.024 55.334 55.300 0.015 0.000 1.143 1484 M CB 0.957 33.503 32.600 -0.090 0.000 1.530 1484 M HN 0.630 nan 8.290 nan 0.000 0.461 1485 R N 2.580 122.892 120.500 -0.314 0.000 2.409 1485 R HA 0.430 4.770 4.340 0.000 0.000 0.313 1485 R C -1.958 174.139 176.300 -0.339 0.000 0.953 1485 R CA -0.374 55.500 56.100 -0.377 0.000 0.849 1485 R CB 1.082 30.857 30.300 -0.875 0.000 1.171 1485 R HN 0.535 nan 8.270 nan 0.000 0.458 1486 Y N 2.555 122.832 120.300 -0.039 0.000 2.330 1486 Y HA 0.310 4.860 4.550 0.000 0.000 0.336 1486 Y C 0.469 176.337 175.900 -0.053 0.000 1.036 1486 Y CA -0.591 57.483 58.100 -0.043 0.000 1.125 1486 Y CB 1.382 39.779 38.460 -0.105 0.000 1.194 1486 Y HN 0.480 nan 8.280 nan 0.000 0.469 1487 N N 2.346 121.119 118.700 0.122 0.000 2.483 1487 N HA 0.130 4.870 4.740 0.000 0.000 0.269 1487 N C 1.324 176.873 175.510 0.065 0.000 1.209 1487 N CA -0.266 52.839 53.050 0.092 0.000 0.969 1487 N CB 0.898 39.432 38.487 0.077 0.000 1.173 1487 N HN 0.725 nan 8.380 nan 0.000 0.475 1488 R N 1.936 122.470 120.500 0.058 0.000 2.143 1488 R HA -0.220 4.120 4.340 0.000 0.000 0.239 1488 R C 1.339 177.723 176.300 0.141 0.000 1.126 1488 R CA 2.003 58.141 56.100 0.063 0.000 0.927 1488 R CB -0.063 30.306 30.300 0.116 0.000 0.860 1488 R HN 0.513 nan 8.270 nan 0.000 0.433 1489 K N -0.860 119.630 120.400 0.151 0.000 2.147 1489 K HA -0.092 4.228 4.320 0.000 0.000 0.205 1489 K C 2.100 178.789 176.600 0.150 0.000 1.049 1489 K CA 1.901 58.289 56.287 0.168 0.000 0.936 1489 K CB -0.063 32.505 32.500 0.113 0.000 0.722 1489 K HN 0.340 nan 8.250 nan 0.000 0.446 1490 T N 0.211 114.841 114.554 0.126 0.000 2.857 1490 T HA -0.076 4.274 4.350 0.000 0.000 0.266 1490 T C 1.922 176.696 174.700 0.123 0.000 1.048 1490 T CA 1.352 63.545 62.100 0.154 0.000 1.139 1490 T CB -0.321 68.669 68.868 0.203 0.000 0.874 1490 T HN 0.470 nan 8.240 nan 0.000 0.455 1491 G N -0.044 108.745 108.800 -0.018 0.000 2.402 1491 G HA2 -0.181 3.779 3.960 0.000 0.000 0.216 1491 G HA3 -0.181 3.779 3.960 0.000 0.000 0.216 1491 G C 1.214 175.973 174.900 -0.235 0.000 1.162 1491 G CA 0.421 45.330 45.100 -0.320 0.000 0.777 1491 G HN 0.457 nan 8.290 nan 0.000 0.539 1492 Y N 0.749 121.006 120.300 -0.071 0.000 2.293 1492 Y HA -0.001 4.549 4.550 0.000 0.000 0.291 1492 Y C 2.717 178.660 175.900 0.072 0.000 1.137 1492 Y CA 1.408 59.501 58.100 -0.012 0.000 1.202 1492 Y CB -0.087 38.349 38.460 -0.039 0.000 0.990 1492 Y HN 0.165 nan 8.280 nan 0.000 0.537 1493 K N 0.240 120.753 120.400 0.189 0.000 2.057 1493 K HA -0.208 4.112 4.320 0.000 0.000 0.207 1493 K C 2.044 178.715 176.600 0.117 0.000 1.049 1493 K CA 1.297 57.672 56.287 0.147 0.000 0.931 1493 K CB -0.449 32.126 32.500 0.126 0.000 0.714 1493 K HN 0.261 nan 8.250 nan 0.000 0.440 1494 L N 0.940 122.222 121.223 0.099 0.000 2.127 1494 L HA -0.125 4.215 4.340 0.000 0.000 0.211 1494 L C 1.911 178.809 176.870 0.046 0.000 1.089 1494 L CA 1.587 56.462 54.840 0.060 0.000 0.757 1494 L CB -0.130 41.930 42.059 0.000 0.000 0.899 1494 L HN 0.281 nan 8.230 nan 0.000 0.434 1495 M N -1.469 118.192 119.600 0.101 0.000 2.502 1495 M HA 0.092 4.572 4.480 0.000 0.000 0.243 1495 M C 2.269 178.650 176.300 0.134 0.000 1.130 1495 M CA 0.889 56.258 55.300 0.116 0.000 1.055 1495 M CB -0.872 31.856 32.600 0.214 0.000 1.457 1495 M HN 0.498 nan 8.290 nan 0.000 0.488 1496 S N 0.588 116.373 115.700 0.141 0.000 2.420 1496 S HA -0.136 4.334 4.470 0.000 0.000 0.237 1496 S C 1.949 176.583 174.600 0.058 0.000 1.023 1496 S CA 1.727 59.998 58.200 0.118 0.000 0.991 1496 S CB -0.742 62.527 63.200 0.115 0.000 0.792 1496 S HN 0.578 nan 8.310 nan 0.000 0.488 1497 S N 0.917 116.641 115.700 0.040 0.000 2.461 1497 S HA 0.114 4.584 4.470 0.000 0.000 0.228 1497 S C 1.807 176.406 174.600 -0.002 0.000 1.005 1497 S CA 0.694 58.903 58.200 0.016 0.000 0.942 1497 S CB -0.437 62.770 63.200 0.011 0.000 0.776 1497 S HN 0.661 nan 8.310 nan 0.000 0.514 1498 M N 1.309 120.908 119.600 -0.001 0.000 2.412 1498 M HA 0.413 4.893 4.480 0.000 0.000 0.263 1498 M C 0.331 176.597 176.300 -0.057 0.000 1.122 1498 M CA 1.099 56.384 55.300 -0.025 0.000 1.179 1498 M CB 0.381 32.970 32.600 -0.019 0.000 1.335 1498 M HN 0.411 nan 8.290 nan 0.000 0.465 1499 A N 0.507 123.292 122.820 -0.060 0.000 2.589 1499 A HA 0.699 5.019 4.320 0.000 0.000 0.296 1499 A C -1.177 176.317 177.584 -0.150 0.000 1.062 1499 A CA -0.885 51.041 52.037 -0.185 0.000 0.686 1499 A CB 1.339 20.105 19.000 -0.390 0.000 1.282 1499 A HN 0.449 nan 8.150 nan 0.000 0.404 1500 R N -0.079 120.290 120.500 -0.218 0.000 2.787 1500 R HA 0.771 5.111 4.340 0.000 0.000 0.271 1500 R C -1.537 174.602 176.300 -0.269 0.000 0.993 1500 R CA -0.425 55.643 56.100 -0.054 0.000 0.993 1500 R CB 1.482 31.776 30.300 -0.008 0.000 1.155 1500 R HN 0.590 nan 8.270 nan 0.000 0.486 1501 F N 0.010 119.942 119.950 -0.029 0.000 2.546 1501 F HA 0.256 4.783 4.527 0.000 0.000 0.320 1501 F C 0.689 176.454 175.800 -0.059 0.000 1.076 1501 F CA -1.079 56.901 58.000 -0.032 0.000 0.928 1501 F CB 1.314 40.296 39.000 -0.031 0.000 1.189 1501 F HN 0.372 nan 8.300 nan 0.000 0.465 1502 N N 3.115 121.879 118.700 0.106 0.000 2.454 1502 N HA 0.039 4.779 4.740 0.000 0.000 0.260 1502 N C -1.963 173.645 175.510 0.163 0.000 1.218 1502 N CA -1.277 51.821 53.050 0.081 0.000 0.904 1502 N CB 1.280 39.783 38.487 0.026 0.000 1.065 1502 N HN 0.223 nan 8.380 nan 0.000 0.462 1503 P HA -0.114 nan 4.420 nan 0.000 0.217 1503 P C 0.287 177.634 177.300 0.079 0.000 1.148 1503 P CA 1.194 64.321 63.100 0.045 0.000 0.828 1503 P CB 0.253 31.972 31.700 0.033 0.000 0.783 1504 D N -2.547 117.947 120.400 0.156 0.000 2.350 1504 D HA -0.109 4.531 4.640 0.000 0.000 0.216 1504 D C 1.061 177.416 176.300 0.091 0.000 0.968 1504 D CA 1.028 55.098 54.000 0.117 0.000 0.894 1504 D CB -0.331 40.550 40.800 0.134 0.000 0.909 1504 D HN 0.310 nan 8.370 nan 0.000 0.520 1505 Y N -0.371 119.957 120.300 0.047 0.000 2.462 1505 Y HA 0.267 4.817 4.550 0.000 0.000 0.261 1505 Y C 1.141 177.046 175.900 0.009 0.000 1.146 1505 Y CA 0.017 58.176 58.100 0.097 0.000 1.283 1505 Y CB 0.061 38.671 38.460 0.250 0.000 1.090 1505 Y HN -0.157 nan 8.280 nan 0.000 0.526 1506 M N 1.228 120.815 119.600 -0.022 0.000 3.586 1506 M HA 0.148 4.628 4.480 0.000 0.000 0.225 1506 M C 0.127 176.409 176.300 -0.031 0.000 1.428 1506 M CA 0.420 55.515 55.300 -0.342 0.000 1.613 1506 M CB -0.119 32.084 32.600 -0.662 0.000 1.063 1506 M HN 0.215 nan 8.290 nan 0.000 0.593 1507 L N 0.358 121.643 121.223 0.104 0.000 2.640 1507 L HA 0.205 4.545 4.340 0.000 0.000 0.230 1507 L C -0.051 176.871 176.870 0.086 0.000 1.123 1507 L CA -0.233 54.684 54.840 0.129 0.000 0.900 1507 L CB 0.055 42.251 42.059 0.228 0.000 1.146 1507 L HN 0.417 nan 8.230 nan 0.000 0.484 1508 L N 0.980 122.257 121.223 0.090 0.000 2.325 1508 L HA 0.045 4.385 4.340 0.000 0.000 0.284 1508 L C 1.128 177.957 176.870 -0.069 0.000 1.089 1508 L CA 0.590 55.380 54.840 -0.083 0.000 0.836 1508 L CB 0.585 42.490 42.059 -0.258 0.000 1.184 1508 L HN -0.053 nan 8.230 nan 0.000 0.444 1509 D N 2.541 122.875 120.400 -0.110 0.000 2.123 1509 D HA -0.076 4.564 4.640 0.000 0.000 0.200 1509 D C -0.244 176.098 176.300 0.070 0.000 0.976 1509 D CA 1.296 55.294 54.000 -0.003 0.000 0.831 1509 D CB 0.351 41.174 40.800 0.038 0.000 0.974 1509 D HN 0.448 nan 8.370 nan 0.000 0.469 1510 Y N -2.464 117.794 120.300 -0.069 0.000 2.677 1510 Y HA 0.569 5.119 4.550 0.000 0.000 0.334 1510 Y C -1.836 174.000 175.900 -0.105 0.000 1.196 1510 Y CA -1.534 56.521 58.100 -0.076 0.000 1.059 1510 Y CB 0.998 39.441 38.460 -0.029 0.000 1.315 1510 Y HN -0.156 nan 8.280 nan 0.000 0.455 1511 L N 2.382 123.633 121.223 0.047 0.000 2.588 1511 L HA 0.726 5.066 4.340 0.000 0.000 0.263 1511 L C -1.964 174.967 176.870 0.102 0.000 0.935 1511 L CA -0.831 53.988 54.840 -0.035 0.000 0.891 1511 L CB 2.048 43.956 42.059 -0.252 0.000 1.318 1511 L HN 0.736 nan 8.230 nan 0.000 0.409 1512 V N 5.196 125.149 119.914 0.065 0.000 2.394 1512 V HA 0.471 4.591 4.120 0.000 0.000 0.282 1512 V C -0.436 175.674 176.094 0.027 0.000 1.031 1512 V CA -0.462 61.846 62.300 0.012 0.000 0.881 1512 V CB 1.603 33.354 31.823 -0.120 0.000 0.982 1512 V HN 0.537 nan 8.190 nan 0.000 0.451 1513 L N 5.186 126.465 121.223 0.093 0.000 2.356 1513 L HA 0.619 4.959 4.340 0.000 0.000 0.277 1513 L C -0.346 176.483 176.870 -0.069 0.000 0.996 1513 L CA -0.230 54.636 54.840 0.045 0.000 0.822 1513 L CB 1.770 43.953 42.059 0.207 0.000 1.256 1513 L HN 0.647 nan 8.230 nan 0.000 0.413 1514 N N 3.135 121.651 118.700 -0.308 0.000 2.589 1514 N HA 0.191 4.931 4.740 0.000 0.000 0.232 1514 N C 0.484 175.904 175.510 -0.149 0.000 1.015 1514 N CA -0.057 52.711 53.050 -0.469 0.000 0.931 1514 N CB 0.592 38.526 38.487 -0.922 0.000 1.150 1514 N HN 0.743 nan 8.380 nan 0.000 0.512 1515 E N 1.971 122.167 120.200 -0.006 0.000 2.160 1515 E HA -0.208 4.142 4.350 0.000 0.000 0.195 1515 E C 1.466 178.053 176.600 -0.021 0.000 0.991 1515 E CA 1.345 57.739 56.400 -0.010 0.000 0.810 1515 E CB 0.001 29.721 29.700 0.035 0.000 0.742 1515 E HN 0.754 nan 8.360 nan 0.000 0.466 1516 A N 1.254 124.082 122.820 0.014 0.000 1.978 1516 A HA -0.186 4.134 4.320 0.000 0.000 0.220 1516 A C 1.690 179.258 177.584 -0.027 0.000 1.170 1516 A CA 1.337 53.382 52.037 0.014 0.000 0.636 1516 A CB 0.029 19.065 19.000 0.061 0.000 0.810 1516 A HN 0.039 nan 8.150 nan 0.000 0.448 1517 E N -0.442 119.721 120.200 -0.063 0.000 2.693 1517 E HA 0.081 4.431 4.350 0.000 0.000 0.214 1517 E C -0.599 175.922 176.600 -0.133 0.000 0.990 1517 E CA -0.337 56.010 56.400 -0.088 0.000 1.047 1517 E CB -0.063 29.588 29.700 -0.081 0.000 1.039 1517 E HN 0.523 nan 8.360 nan 0.000 0.475 1518 N N 2.204 120.821 118.700 -0.138 0.000 2.707 1518 N HA -0.238 4.502 4.740 0.000 0.000 0.253 1518 N C -0.138 175.254 175.510 -0.197 0.000 0.998 1518 N CA 1.006 53.953 53.050 -0.172 0.000 0.751 1518 N CB -1.003 37.360 38.487 -0.207 0.000 0.920 1518 N HN 0.468 nan 8.380 nan 0.000 0.539 1519 E N -0.136 119.945 120.200 -0.198 0.000 2.158 1519 E HA 0.662 5.012 4.350 0.000 0.000 0.271 1519 E C -0.925 175.548 176.600 -0.212 0.000 0.911 1519 E CA -0.705 55.550 56.400 -0.241 0.000 0.767 1519 E CB 1.215 30.791 29.700 -0.206 0.000 1.120 1519 E HN 0.318 nan 8.360 nan 0.000 0.405 1520 A N 2.896 125.577 122.820 -0.232 0.000 2.475 1520 A HA 0.814 5.134 4.320 0.000 0.000 0.301 1520 A C -1.449 176.109 177.584 -0.044 0.000 1.059 1520 A CA -0.360 51.606 52.037 -0.119 0.000 0.710 1520 A CB 1.902 20.857 19.000 -0.076 0.000 1.288 1520 A HN 0.625 nan 8.150 nan 0.000 0.408 1521 A N 0.719 123.557 122.820 0.031 0.000 2.335 1521 A HA 0.817 5.137 4.320 0.000 0.000 0.304 1521 A C -0.281 177.309 177.584 0.009 0.000 1.118 1521 A CA -0.076 52.031 52.037 0.116 0.000 0.757 1521 A CB 1.169 20.249 19.000 0.134 0.000 1.188 1521 A HN 1.747 nan 8.150 nan 0.000 0.460 1522 S N 1.374 117.029 115.700 -0.075 0.000 2.570 1522 S HA 0.787 5.257 4.470 0.000 0.000 0.286 1522 S C -0.079 174.213 174.600 -0.514 0.000 1.099 1522 S CA 0.089 58.083 58.200 -0.343 0.000 0.913 1522 S CB 1.606 64.632 63.200 -0.289 0.000 1.085 1522 S HN 1.597 nan 8.310 nan 0.000 0.480 1523 G N 1.824 109.918 108.800 -1.178 0.000 2.384 1523 G HA2 0.562 4.522 3.960 0.000 0.000 0.316 1523 G HA3 0.562 4.522 3.960 0.000 0.000 0.316 1523 G C -0.467 174.145 174.900 -0.480 0.000 1.160 1523 G CA -0.510 44.108 45.100 -0.804 0.000 0.936 1523 G HN 1.225 nan 8.290 nan 0.000 0.455 1524 V N 0.513 120.254 119.914 -0.288 0.000 2.398 1524 V HA 0.641 4.761 4.120 0.000 0.000 0.286 1524 V C -1.024 174.879 176.094 -0.318 0.000 1.026 1524 V CA -1.165 60.988 62.300 -0.243 0.000 0.868 1524 V CB 1.977 33.687 31.823 -0.189 0.000 0.982 1524 V HN 0.506 nan 8.190 nan 0.000 0.443 1525 D N 4.013 124.291 120.400 -0.205 0.000 2.461 1525 D HA 0.396 5.036 4.640 0.000 0.000 0.240 1525 D C 0.343 176.620 176.300 -0.039 0.000 1.094 1525 D CA -0.576 53.314 54.000 -0.184 0.000 0.868 1525 D CB 1.276 42.030 40.800 -0.076 0.000 1.062 1525 D HN 0.444 nan 8.370 nan 0.000 0.530 1526 F N 1.349 121.252 119.950 -0.079 0.000 2.546 1526 F HA -0.089 4.438 4.527 0.000 0.000 0.298 1526 F C 2.563 178.319 175.800 -0.074 0.000 1.120 1526 F CA 0.429 58.335 58.000 -0.156 0.000 1.456 1526 F CB -0.889 37.845 39.000 -0.444 0.000 1.088 1526 F HN 0.338 nan 8.300 nan 0.000 0.572 1527 S N -0.502 115.259 115.700 0.103 0.000 2.561 1527 S HA -0.024 4.446 4.470 0.000 0.000 0.225 1527 S C 1.676 176.309 174.600 0.055 0.000 0.977 1527 S CA 0.347 58.586 58.200 0.065 0.000 0.926 1527 S CB -0.760 62.456 63.200 0.027 0.000 0.769 1527 S HN 0.447 nan 8.310 nan 0.000 0.533 1528 L N 0.986 122.246 121.223 0.061 0.000 2.552 1528 L HA 0.301 4.641 4.340 0.000 0.000 0.227 1528 L C 1.337 178.232 176.870 0.041 0.000 1.146 1528 L CA 0.253 55.120 54.840 0.046 0.000 0.858 1528 L CB -0.613 41.474 42.059 0.046 0.000 0.969 1528 L HN 0.512 nan 8.230 nan 0.000 0.451 1529 G N -1.368 107.461 108.800 0.048 0.000 2.733 1529 G HA2 0.412 4.372 3.960 0.000 0.000 0.288 1529 G HA3 0.412 4.372 3.960 0.000 0.000 0.288 1529 G C -1.446 173.463 174.900 0.016 0.000 1.373 1529 G CA -0.297 44.818 45.100 0.025 0.000 0.895 1529 G HN -0.158 nan 8.290 nan 0.000 0.479 1530 S N -1.093 114.614 115.700 0.011 0.000 2.508 1530 S HA 0.575 5.045 4.470 0.000 0.000 0.284 1530 S C 0.460 175.046 174.600 -0.024 0.000 1.192 1530 S CA 0.116 58.328 58.200 0.020 0.000 1.070 1530 S CB 0.986 64.216 63.200 0.049 0.000 1.004 1530 S HN 1.391 nan 8.310 nan 0.000 0.493 1531 S N 2.903 118.594 115.700 -0.015 0.000 2.598 1531 S HA 0.305 4.775 4.470 0.000 0.000 0.209 1531 S C -0.826 173.904 174.600 0.217 0.000 1.029 1531 S CA -0.838 57.328 58.200 -0.057 0.000 1.172 1531 S CB 0.134 62.985 63.200 -0.582 0.000 1.427 1531 S HN 0.650 nan 8.310 nan 0.000 0.418 1532 E N 1.558 121.895 120.200 0.230 0.000 2.373 1532 E HA 0.648 4.998 4.350 0.000 0.000 0.267 1532 E C 0.748 177.533 176.600 0.308 0.000 1.032 1532 E CA 0.716 57.251 56.400 0.225 0.000 0.889 1532 E CB 1.248 31.028 29.700 0.133 0.000 0.984 1532 E HN 0.865 nan 8.360 nan 0.000 0.425 1533 G N 1.325 110.225 108.800 0.167 0.000 2.334 1533 G HA2 0.025 3.985 3.960 0.000 0.000 0.315 1533 G HA3 0.025 3.985 3.960 0.000 0.000 0.315 1533 G C -0.880 173.765 174.900 -0.424 0.000 1.284 1533 G CA -0.371 44.636 45.100 -0.155 0.000 0.985 1533 G HN 0.605 nan 8.290 nan 0.000 0.504 1534 T N -1.622 112.393 114.554 -0.899 0.000 2.829 1534 T HA 0.855 5.205 4.350 0.000 0.000 0.280 1534 T C -0.669 173.363 174.700 -1.114 0.000 0.999 1534 T CA -0.590 61.114 62.100 -0.660 0.000 0.983 1534 T CB 1.641 70.318 68.868 -0.318 0.000 0.968 1534 T HN 1.083 nan 8.240 nan 0.000 0.446 1535 F N -0.464 119.451 119.950 -0.058 0.000 2.745 1535 F HA 0.732 5.259 4.527 0.000 0.000 0.316 1535 F C 1.067 176.831 175.800 -0.059 0.000 1.155 1535 F CA -1.403 56.536 58.000 -0.101 0.000 0.937 1535 F CB 0.966 39.860 39.000 -0.176 0.000 1.361 1535 F HN 0.684 nan 8.300 nan 0.000 0.472 1536 A N 0.361 123.269 122.820 0.147 0.000 1.924 1536 A HA 0.722 5.043 4.320 0.000 0.000 0.211 1536 A C 0.475 178.103 177.584 0.074 0.000 1.198 1536 A CA 0.898 52.984 52.037 0.081 0.000 0.657 1536 A CB -0.168 18.865 19.000 0.056 0.000 0.852 1536 A HN 1.022 nan 8.150 nan 0.000 0.454 1537 A N -0.321 122.535 122.820 0.060 0.000 2.530 1537 A HA 0.493 4.813 4.320 0.000 0.000 0.279 1537 A C -0.644 176.867 177.584 -0.121 0.000 1.109 1537 A CA -0.491 51.553 52.037 0.011 0.000 0.763 1537 A CB 0.071 19.098 19.000 0.044 0.000 1.257 1537 A HN 0.386 nan 8.150 nan 0.000 0.424 1538 H N 4.067 122.899 119.070 -0.397 0.000 3.125 1538 H HA 0.019 4.575 4.556 0.000 0.000 0.310 1538 H C -1.735 173.174 175.328 -0.698 0.000 0.980 1538 H CA -0.388 55.096 56.048 -0.939 0.000 1.422 1538 H CB 1.039 29.919 29.762 -1.469 0.000 1.432 1538 H HN 0.314 nan 8.280 nan 0.000 0.577 1539 P HA -0.156 nan 4.420 nan 0.000 0.216 1539 P C 1.069 178.194 177.300 -0.292 0.000 1.150 1539 P CA 2.162 65.072 63.100 -0.318 0.000 0.843 1539 P CB 0.137 31.706 31.700 -0.218 0.000 0.787 1540 A N -0.978 121.597 122.820 -0.410 0.000 1.897 1540 A HA -0.210 4.110 4.320 0.000 0.000 0.215 1540 A C 1.974 179.287 177.584 -0.453 0.000 1.181 1540 A CA 1.447 52.916 52.037 -0.947 0.000 0.620 1540 A CB -1.554 16.858 19.000 -0.980 0.000 0.821 1540 A HN 0.189 nan 8.150 nan 0.000 0.443 1541 H N -0.380 118.354 119.070 -0.559 0.000 2.321 1541 H HA -0.057 4.499 4.556 0.000 0.000 0.300 1541 H C 2.255 177.410 175.328 -0.289 0.000 1.087 1541 H CA 1.608 57.175 56.048 -0.801 0.000 1.319 1541 H CB -0.900 28.132 29.762 -1.216 0.000 1.379 1541 H HN 0.251 nan 8.280 nan 0.000 0.501 1542 V N 0.927 120.807 119.914 -0.055 0.000 2.358 1542 V HA -0.206 3.914 4.120 0.000 0.000 0.246 1542 V C 2.216 178.310 176.094 0.000 0.000 1.047 1542 V CA 2.043 64.349 62.300 0.010 0.000 1.035 1542 V CB -0.475 31.357 31.823 0.015 0.000 0.658 1542 V HN 0.361 nan 8.190 nan 0.000 0.452 1543 D N 0.331 120.744 120.400 0.023 0.000 2.144 1543 D HA -0.147 4.493 4.640 0.000 0.000 0.199 1543 D C 2.119 178.501 176.300 0.137 0.000 0.984 1543 D CA 1.381 55.456 54.000 0.126 0.000 0.834 1543 D CB -0.127 40.871 40.800 0.331 0.000 0.955 1543 D HN 0.365 nan 8.370 nan 0.000 0.465 1544 A N 0.209 123.100 122.820 0.119 0.000 1.908 1544 A HA -0.162 4.158 4.320 0.000 0.000 0.218 1544 A C 2.367 179.996 177.584 0.074 0.000 1.181 1544 A CA 1.320 53.438 52.037 0.135 0.000 0.627 1544 A CB -0.843 18.286 19.000 0.216 0.000 0.818 1544 A HN 0.407 nan 8.150 nan 0.000 0.445 1545 I N 0.172 120.786 120.570 0.074 0.000 2.179 1545 I HA -0.250 3.920 4.170 0.000 0.000 0.242 1545 I C 2.842 178.888 176.117 -0.119 0.000 1.088 1545 I CA 1.916 63.228 61.300 0.021 0.000 1.357 1545 I CB -0.658 37.410 38.000 0.113 0.000 1.051 1545 I HN 0.563 nan 8.210 nan 0.000 0.409 1546 T N -1.921 112.503 114.554 -0.217 0.000 2.995 1546 T HA -0.162 4.188 4.350 0.000 0.000 0.269 1546 T C 1.729 176.355 174.700 -0.123 0.000 1.091 1546 T CA 0.846 62.749 62.100 -0.328 0.000 1.128 1546 T CB -0.302 68.327 68.868 -0.399 0.000 0.891 1546 T HN 0.392 nan 8.240 nan 0.000 0.492 1547 Q N 0.499 120.286 119.800 -0.020 0.000 2.170 1547 Q HA -0.044 4.296 4.340 0.000 0.000 0.203 1547 Q C 2.492 178.467 176.000 -0.042 0.000 0.976 1547 Q CA 1.332 57.144 55.803 0.016 0.000 0.858 1547 Q CB -0.425 28.321 28.738 0.013 0.000 0.907 1547 Q HN 0.488 nan 8.270 nan 0.000 0.433 1548 V N 0.705 120.567 119.914 -0.088 0.000 2.343 1548 V HA -0.297 3.823 4.120 0.000 0.000 0.247 1548 V C 2.206 178.256 176.094 -0.074 0.000 1.051 1548 V CA 1.918 64.158 62.300 -0.099 0.000 1.036 1548 V CB -0.905 30.844 31.823 -0.123 0.000 0.654 1548 V HN 0.398 nan 8.190 nan 0.000 0.451 1549 A N 0.422 123.171 122.820 -0.118 0.000 1.897 1549 A HA 0.018 4.338 4.320 0.000 0.000 0.215 1549 A C 2.419 179.941 177.584 -0.103 0.000 1.181 1549 A CA 1.631 53.583 52.037 -0.141 0.000 0.620 1549 A CB -1.129 17.759 19.000 -0.187 0.000 0.821 1549 A HN 0.508 nan 8.150 nan 0.000 0.443 1550 G N -1.200 107.570 108.800 -0.050 0.000 2.418 1550 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 1550 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 1550 G C 1.468 176.362 174.900 -0.009 0.000 1.158 1550 G CA 1.169 46.265 45.100 -0.006 0.000 0.771 1550 G HN 0.467 nan 8.290 nan 0.000 0.545 1551 F N 2.306 122.173 119.950 -0.139 0.000 2.146 1551 F HA 0.125 4.652 4.527 0.000 0.000 0.298 1551 F C 2.824 178.520 175.800 -0.173 0.000 1.096 1551 F CA 1.246 59.138 58.000 -0.180 0.000 1.275 1551 F CB -0.254 38.592 39.000 -0.257 0.000 1.008 1551 F HN 0.225 nan 8.300 nan 0.000 0.480 1552 A N 0.469 123.264 122.820 -0.042 0.000 1.917 1552 A HA -0.236 4.084 4.320 0.000 0.000 0.219 1552 A C 2.176 179.610 177.584 -0.249 0.000 1.182 1552 A CA 2.115 54.072 52.037 -0.134 0.000 0.633 1552 A CB -0.639 18.285 19.000 -0.127 0.000 0.819 1552 A HN 0.420 nan 8.150 nan 0.000 0.448 1553 M N -0.541 118.896 119.600 -0.270 0.000 2.098 1553 M HA -0.064 4.416 4.480 0.000 0.000 0.262 1553 M C 1.664 177.835 176.300 -0.215 0.000 1.072 1553 M CA 1.603 56.690 55.300 -0.354 0.000 1.133 1553 M CB -1.963 30.299 32.600 -0.563 0.000 1.344 1553 M HN 0.526 nan 8.290 nan 0.000 0.414 1554 N N 0.322 118.920 118.700 -0.169 0.000 2.459 1554 N HA 0.028 4.768 4.740 0.000 0.000 0.181 1554 N C 1.349 176.678 175.510 -0.303 0.000 1.046 1554 N CA 0.801 53.772 53.050 -0.131 0.000 0.904 1554 N CB -0.014 38.419 38.487 -0.090 0.000 0.964 1554 N HN 0.336 nan 8.380 nan 0.000 0.444 1555 A N 0.267 122.747 122.820 -0.568 0.000 2.251 1555 A HA 0.002 4.322 4.320 0.000 0.000 0.209 1555 A C 0.763 178.159 177.584 -0.313 0.000 1.187 1555 A CA -0.193 51.431 52.037 -0.689 0.000 0.823 1555 A CB -0.143 17.942 19.000 -1.526 0.000 0.846 1555 A HN 0.218 nan 8.150 nan 0.000 0.486 1556 N N 0.719 119.294 118.700 -0.209 0.000 2.458 1556 N HA -0.069 4.671 4.740 0.000 0.000 0.258 1556 N C 0.351 175.829 175.510 -0.054 0.000 1.219 1556 N CA 0.449 53.440 53.050 -0.097 0.000 0.902 1556 N CB 0.813 39.253 38.487 -0.078 0.000 1.076 1556 N HN 0.286 nan 8.380 nan 0.000 0.455 1557 D N 2.966 123.358 120.400 -0.014 0.000 2.182 1557 D HA -0.128 4.512 4.640 0.000 0.000 0.201 1557 D C 0.882 177.182 176.300 -0.000 0.000 0.986 1557 D CA 1.546 55.548 54.000 0.004 0.000 0.847 1557 D CB 0.079 40.893 40.800 0.024 0.000 0.942 1557 D HN 0.664 nan 8.370 nan 0.000 0.467 1558 N N -1.092 117.608 118.700 -0.001 0.000 2.467 1558 N HA 0.025 4.765 4.740 0.000 0.000 0.184 1558 N C -0.645 174.869 175.510 0.006 0.000 1.106 1558 N CA -0.232 52.821 53.050 0.004 0.000 0.892 1558 N CB 0.878 39.370 38.487 0.008 0.000 0.969 1558 N HN -0.007 nan 8.380 nan 0.000 0.454 1559 V N 1.495 121.411 119.914 0.003 0.000 2.364 1559 V HA 0.069 4.189 4.120 0.000 0.000 0.272 1559 V C -0.293 175.793 176.094 -0.014 0.000 1.036 1559 V CA -0.600 61.707 62.300 0.011 0.000 0.880 1559 V CB 1.214 33.064 31.823 0.044 0.000 0.991 1559 V HN 0.065 nan 8.190 nan 0.000 0.460 1560 D N 4.997 125.385 120.400 -0.020 0.000 2.441 1560 D HA 0.186 4.826 4.640 0.000 0.000 0.221 1560 D C 1.233 177.512 176.300 -0.034 0.000 1.156 1560 D CA -0.513 53.472 54.000 -0.024 0.000 0.896 1560 D CB 0.858 41.645 40.800 -0.022 0.000 1.028 1560 D HN 0.592 nan 8.370 nan 0.000 0.509 1561 I N 0.413 120.963 120.570 -0.034 0.000 3.241 1561 I HA -0.011 4.159 4.170 0.000 0.000 0.280 1561 I C 1.403 177.499 176.117 -0.036 0.000 1.320 1561 I CA 0.623 61.899 61.300 -0.039 0.000 1.413 1561 I CB -0.064 37.914 38.000 -0.036 0.000 1.060 1561 I HN 0.283 nan 8.210 nan 0.000 0.500 1562 E N 1.877 122.059 120.200 -0.030 0.000 2.371 1562 E HA -0.079 4.271 4.350 0.000 0.000 0.194 1562 E C 1.704 178.284 176.600 -0.033 0.000 1.012 1562 E CA 0.507 56.891 56.400 -0.026 0.000 0.860 1562 E CB 0.302 29.992 29.700 -0.018 0.000 0.811 1562 E HN 0.617 nan 8.360 nan 0.000 0.502 1563 K N -0.827 119.549 120.400 -0.040 0.000 2.380 1563 K HA 0.131 4.451 4.320 0.000 0.000 0.200 1563 K C 0.305 176.864 176.600 -0.069 0.000 1.201 1563 K CA 0.045 56.303 56.287 -0.047 0.000 0.916 1563 K CB 0.807 33.282 32.500 -0.041 0.000 1.187 1563 K HN -0.145 nan 8.250 nan 0.000 0.498 1564 Q N 0.866 120.615 119.800 -0.087 0.000 2.315 1564 Q HA 0.364 4.704 4.340 0.000 0.000 0.273 1564 Q C -1.724 174.177 176.000 -0.165 0.000 1.053 1564 Q CA -0.678 55.041 55.803 -0.139 0.000 0.817 1564 Q CB 2.437 31.078 28.738 -0.161 0.000 1.326 1564 Q HN 0.057 nan 8.270 nan 0.000 0.423 1565 V N -0.142 119.646 119.914 -0.209 0.000 3.007 1565 V HA 0.655 4.775 4.120 0.000 0.000 0.311 1565 V C -1.461 174.471 176.094 -0.271 0.000 1.120 1565 V CA -0.914 61.281 62.300 -0.175 0.000 0.980 1565 V CB 1.746 33.523 31.823 -0.077 0.000 1.033 1565 V HN 0.730 nan 8.190 nan 0.000 0.429 1566 Y N 2.398 122.669 120.300 -0.049 0.000 2.341 1566 Y HA 0.685 5.235 4.550 0.000 0.000 0.340 1566 Y C 0.537 176.425 175.900 -0.020 0.000 0.997 1566 Y CA -0.283 57.792 58.100 -0.041 0.000 1.149 1566 Y CB 1.763 40.190 38.460 -0.055 0.000 1.171 1566 Y HN 0.798 nan 8.280 nan 0.000 0.494 1567 V N 0.459 120.441 119.914 0.114 0.000 3.019 1567 V HA 0.556 4.676 4.120 0.000 0.000 0.317 1567 V C -0.119 176.056 176.094 0.134 0.000 1.094 1567 V CA -1.434 60.926 62.300 0.100 0.000 1.000 1567 V CB 1.687 33.547 31.823 0.061 0.000 1.060 1567 V HN 0.639 nan 8.190 nan 0.000 0.443 1568 N N 0.840 119.621 118.700 0.135 0.000 2.441 1568 N HA 0.128 4.868 4.740 0.000 0.000 0.251 1568 N C 0.157 175.772 175.510 0.175 0.000 1.242 1568 N CA 0.513 53.651 53.050 0.147 0.000 0.898 1568 N CB 0.793 39.365 38.487 0.142 0.000 1.100 1568 N HN 1.060 nan 8.380 nan 0.000 0.443 1569 H N -0.260 118.836 119.070 0.043 0.000 2.602 1569 H HA 0.324 4.880 4.556 0.000 0.000 0.222 1569 H C 0.655 175.956 175.328 -0.045 0.000 0.886 1569 H CA 0.867 56.922 56.048 0.011 0.000 1.008 1569 H CB 0.585 30.365 29.762 0.030 0.000 1.380 1569 H HN 0.769 nan 8.280 nan 0.000 0.417 1570 G N -1.315 107.492 108.800 0.012 0.000 2.356 1570 G HA2 0.270 4.231 3.960 0.000 0.000 0.266 1570 G HA3 0.270 4.231 3.960 0.000 0.000 0.266 1570 G C -1.820 173.129 174.900 0.081 0.000 1.312 1570 G CA -0.284 44.682 45.100 -0.224 0.000 0.922 1570 G HN 0.500 nan 8.290 nan 0.000 0.480 1571 W N -1.452 119.900 121.300 0.087 0.000 3.057 1571 W HA 0.746 5.406 4.660 0.000 0.000 0.328 1571 W C -0.384 176.213 176.519 0.130 0.000 1.232 1571 W CA -0.260 57.159 57.345 0.123 0.000 1.187 1571 W CB 0.258 29.841 29.460 0.205 0.000 1.417 1571 W HN 0.392 nan 8.180 nan 0.000 0.569 1572 D N 0.555 121.218 120.400 0.438 0.000 2.183 1572 D HA 0.062 4.702 4.640 0.000 0.000 0.205 1572 D C 0.206 176.744 176.300 0.396 0.000 0.962 1572 D CA 1.554 55.735 54.000 0.301 0.000 0.849 1572 D CB 0.600 41.517 40.800 0.194 0.000 0.978 1572 D HN 0.213 nan 8.370 nan 0.000 0.488 1573 S N -1.116 114.887 115.700 0.505 0.000 2.535 1573 S HA 0.523 4.993 4.470 0.000 0.000 0.272 1573 S C -2.021 172.738 174.600 0.265 0.000 1.149 1573 S CA -0.837 57.598 58.200 0.391 0.000 0.888 1573 S CB 0.828 64.187 63.200 0.265 0.000 1.110 1573 S HN 0.078 nan 8.310 nan 0.000 0.463 1574 F N 3.456 123.343 119.950 -0.104 0.000 2.617 1574 F HA 0.554 5.081 4.527 0.000 0.000 0.325 1574 F C -1.049 174.515 175.800 -0.393 0.000 1.179 1574 F CA -0.371 57.268 58.000 -0.602 0.000 0.965 1574 F CB 1.374 39.712 39.000 -1.104 0.000 1.232 1574 F HN 0.637 nan 8.300 nan 0.000 0.461 1575 Q N 6.725 126.035 119.800 -0.817 0.000 2.375 1575 Q HA 0.602 4.942 4.340 0.000 0.000 0.271 1575 Q C -1.296 173.945 176.000 -1.266 0.000 1.074 1575 Q CA -0.992 54.261 55.803 -0.916 0.000 0.808 1575 Q CB 3.635 32.043 28.738 -0.549 0.000 1.327 1575 Q HN 0.640 nan 8.270 nan 0.000 0.441 1576 I N 2.043 121.937 120.570 -1.128 0.000 2.406 1576 I HA 0.226 4.396 4.170 0.000 0.000 0.290 1576 I C -0.573 175.134 176.117 -0.684 0.000 0.999 1576 I CA -0.401 60.399 61.300 -0.832 0.000 1.124 1576 I CB 1.073 38.740 38.000 -0.555 0.000 1.289 1576 I HN 0.764 nan 8.210 nan 0.000 0.441 1577 Y N 3.061 123.298 120.300 -0.104 0.000 2.462 1577 Y HA 0.260 4.810 4.550 0.000 0.000 0.253 1577 Y C 0.873 176.761 175.900 -0.020 0.000 1.095 1577 Y CA -0.287 57.782 58.100 -0.052 0.000 1.283 1577 Y CB 0.633 39.075 38.460 -0.031 0.000 1.138 1577 Y HN 0.492 nan 8.280 nan 0.000 0.522 1578 Q N 1.822 121.680 119.800 0.097 0.000 2.331 1578 Q HA 0.333 4.673 4.340 0.000 0.000 0.272 1578 Q C -2.836 173.198 176.000 0.057 0.000 1.062 1578 Q CA -2.593 53.266 55.803 0.094 0.000 0.806 1578 Q CB 2.388 31.208 28.738 0.138 0.000 1.312 1578 Q HN -0.112 nan 8.270 nan 0.000 0.431 1579 P HA -0.056 nan 4.420 nan 0.000 0.265 1579 P C -0.627 176.742 177.300 0.115 0.000 1.187 1579 P CA 0.372 63.520 63.100 0.080 0.000 0.766 1579 P CB 0.549 32.307 31.700 0.097 0.000 0.820 1580 L N 2.672 123.958 121.223 0.105 0.000 2.389 1580 L HA 0.165 4.505 4.340 0.000 0.000 0.265 1580 L C 1.050 178.075 176.870 0.259 0.000 1.167 1580 L CA -0.374 54.548 54.840 0.137 0.000 1.045 1580 L CB -0.479 41.622 42.059 0.069 0.000 1.351 1580 L HN 0.351 nan 8.230 nan 0.000 0.419 1581 D N 2.586 123.205 120.400 0.365 0.000 2.434 1581 D HA -0.082 4.558 4.640 0.000 0.000 0.252 1581 D C 1.096 177.587 176.300 0.318 0.000 1.185 1581 D CA 0.014 54.199 54.000 0.308 0.000 0.886 1581 D CB 0.914 41.872 40.800 0.262 0.000 1.148 1581 D HN 0.492 nan 8.370 nan 0.000 0.483 1582 N N 1.279 120.121 118.700 0.236 0.000 2.575 1582 N HA -0.146 4.594 4.740 0.000 0.000 0.192 1582 N C 0.836 176.438 175.510 0.153 0.000 1.200 1582 N CA 0.392 53.565 53.050 0.204 0.000 0.897 1582 N CB 0.016 38.632 38.487 0.216 0.000 0.990 1582 N HN 0.175 nan 8.380 nan 0.000 0.449 1583 S N -2.359 113.412 115.700 0.119 0.000 2.559 1583 S HA 0.268 4.738 4.470 0.000 0.000 0.226 1583 S C 0.355 174.950 174.600 -0.008 0.000 1.000 1583 S CA -0.556 57.677 58.200 0.054 0.000 0.948 1583 S CB 0.390 63.616 63.200 0.043 0.000 0.870 1583 S HN 0.102 nan 8.310 nan 0.000 0.497 1584 K N 1.830 122.213 120.400 -0.029 0.000 2.185 1584 K HA 0.613 4.933 4.320 0.000 0.000 0.240 1584 K C -0.521 175.817 176.600 -0.435 0.000 0.983 1584 K CA -0.546 55.590 56.287 -0.251 0.000 0.873 1584 K CB 1.739 34.000 32.500 -0.399 0.000 1.118 1584 K HN 0.338 nan 8.250 nan 0.000 0.441 1585 S N 0.434 115.790 115.700 -0.574 0.000 2.578 1585 S HA 0.603 5.073 4.470 0.000 0.000 0.301 1585 S C -1.071 173.063 174.600 -0.777 0.000 1.091 1585 S CA -0.719 57.168 58.200 -0.522 0.000 1.032 1585 S CB 0.589 63.628 63.200 -0.267 0.000 1.064 1585 S HN 0.487 nan 8.310 nan 0.000 0.508 1586 Y N -0.442 119.649 120.300 -0.348 0.000 2.609 1586 Y HA 0.565 5.115 4.550 0.000 0.000 0.342 1586 Y C -0.584 175.218 175.900 -0.162 0.000 1.058 1586 Y CA -1.140 56.820 58.100 -0.233 0.000 1.055 1586 Y CB 1.745 40.037 38.460 -0.280 0.000 1.292 1586 Y HN 0.539 nan 8.280 nan 0.000 0.476 1587 Q N 0.944 120.803 119.800 0.098 0.000 2.293 1587 Q HA 0.675 5.015 4.340 0.000 0.000 0.261 1587 Q C -1.382 174.665 176.000 0.079 0.000 0.960 1587 Q CA -0.647 55.198 55.803 0.071 0.000 0.882 1587 Q CB 2.154 30.960 28.738 0.113 0.000 1.275 1587 Q HN 0.388 nan 8.270 nan 0.000 0.445 1588 V N 2.948 122.886 119.914 0.041 0.000 2.540 1588 V HA 0.518 4.638 4.120 0.000 0.000 0.302 1588 V C -1.424 174.728 176.094 0.098 0.000 1.035 1588 V CA -0.919 61.408 62.300 0.044 0.000 0.873 1588 V CB 1.232 33.042 31.823 -0.022 0.000 0.992 1588 V HN 0.728 nan 8.190 nan 0.000 0.428 1589 Y N 2.910 123.193 120.300 -0.028 0.000 2.442 1589 Y HA 0.754 5.304 4.550 0.000 0.000 0.344 1589 Y C -0.366 175.516 175.900 -0.031 0.000 0.976 1589 Y CA -0.294 57.799 58.100 -0.012 0.000 1.040 1589 Y CB 2.362 40.853 38.460 0.053 0.000 1.228 1589 Y HN 0.682 nan 8.280 nan 0.000 0.451 1590 T N 5.649 119.648 114.554 -0.925 0.000 2.932 1590 T HA 0.371 4.721 4.350 0.000 0.000 0.318 1590 T C -2.111 172.114 174.700 -0.792 0.000 1.265 1590 T CA -0.867 60.801 62.100 -0.720 0.000 1.036 1590 T CB 1.126 69.777 68.868 -0.362 0.000 1.209 1590 T HN 0.704 nan 8.240 nan 0.000 0.484 1591 K N 5.421 125.510 120.400 -0.518 0.000 2.626 1591 K HA 0.324 4.644 4.320 0.000 0.000 0.223 1591 K C 0.970 177.436 176.600 -0.223 0.000 0.992 1591 K CA -0.810 55.273 56.287 -0.340 0.000 1.024 1591 K CB 0.503 32.864 32.500 -0.232 0.000 1.225 1591 K HN 0.472 nan 8.250 nan 0.000 0.498 1592 M N 1.501 120.963 119.600 -0.230 0.000 2.156 1592 M HA 0.076 4.556 4.480 0.000 0.000 0.264 1592 M C 1.115 177.285 176.300 -0.215 0.000 1.067 1592 M CA 1.588 56.758 55.300 -0.217 0.000 1.131 1592 M CB -1.225 31.229 32.600 -0.242 0.000 1.368 1592 M HN 0.898 nan 8.290 nan 0.000 0.416 1593 G N 0.072 108.758 108.800 -0.190 0.000 2.760 1593 G HA2 -0.200 3.760 3.960 0.000 0.000 0.246 1593 G HA3 -0.200 3.760 3.960 0.000 0.000 0.246 1593 G C 0.142 174.944 174.900 -0.165 0.000 1.359 1593 G CA -0.012 44.991 45.100 -0.161 0.000 0.861 1593 G HN 0.289 nan 8.290 nan 0.000 0.541 1594 Q N -0.158 119.569 119.800 -0.122 0.000 2.008 1594 Q HA 0.424 4.764 4.340 0.000 0.000 0.196 1594 Q C 1.959 177.907 176.000 -0.088 0.000 0.973 1594 Q CA 2.830 58.577 55.803 -0.093 0.000 0.826 1594 Q CB -1.196 27.509 28.738 -0.055 0.000 0.894 1594 Q HN 2.561 nan 8.270 nan 0.000 0.439 1599 D N -0.926 119.467 120.400 -0.012 0.000 2.389 1599 D HA 0.366 5.006 4.640 0.000 0.000 0.206 1599 D C -0.494 175.788 176.300 -0.030 0.000 1.055 1599 D CA 0.318 54.298 54.000 -0.034 0.000 0.856 1599 D CB 0.312 41.078 40.800 -0.056 0.000 0.957 1599 D HN 0.258 nan 8.370 nan 0.000 0.509 1600 L N 0.524 121.740 121.223 -0.012 0.000 2.333 1600 L HA 0.539 4.879 4.340 0.000 0.000 0.269 1600 L C -0.430 176.473 176.870 0.054 0.000 1.010 1600 L CA -1.439 53.399 54.840 -0.003 0.000 0.818 1600 L CB 1.863 43.885 42.059 -0.062 0.000 1.306 1600 L HN -0.071 nan 8.230 nan 0.000 0.430 1601 V N -1.027 118.920 119.914 0.054 0.000 2.876 1601 V HA 0.917 5.037 4.120 0.000 0.000 0.312 1601 V C -1.123 174.983 176.094 0.019 0.000 1.085 1601 V CA -0.523 61.760 62.300 -0.029 0.000 0.945 1601 V CB 1.671 33.411 31.823 -0.138 0.000 1.017 1601 V HN 1.008 nan 8.190 nan 0.000 0.428 1602 H N 1.100 120.152 119.070 -0.030 0.000 2.980 1602 H HA 1.006 5.562 4.556 0.000 0.000 0.367 1602 H C -0.346 174.964 175.328 -0.030 0.000 1.206 1602 H CA -0.223 55.818 56.048 -0.012 0.000 1.126 1602 H CB 1.978 31.758 29.762 0.029 0.000 1.838 1602 H HN 1.372 nan 8.280 nan 0.000 0.552 1603 G N 0.518 109.394 108.800 0.127 0.000 2.506 1603 G HA2 0.377 4.337 3.960 0.000 0.000 0.292 1603 G HA3 0.377 4.337 3.960 0.000 0.000 0.292 1603 G C -1.843 173.068 174.900 0.018 0.000 1.425 1603 G CA -0.996 44.131 45.100 0.045 0.000 0.788 1603 G HN 0.663 nan 8.290 nan 0.000 0.490 1604 D N -0.592 119.797 120.400 -0.017 0.000 2.217 1604 D HA 0.599 5.239 4.640 0.000 0.000 0.248 1604 D C -0.353 175.802 176.300 -0.243 0.000 1.008 1604 D CA -0.221 53.679 54.000 -0.166 0.000 0.914 1604 D CB 2.255 43.032 40.800 -0.038 0.000 1.182 1604 D HN 0.237 nan 8.370 nan 0.000 0.451 1605 V N 1.306 120.980 119.914 -0.399 0.000 2.525 1605 V HA 0.321 4.441 4.120 0.000 0.000 0.299 1605 V C -0.248 175.725 176.094 -0.201 0.000 1.034 1605 V CA -0.866 61.294 62.300 -0.234 0.000 0.863 1605 V CB 2.084 33.810 31.823 -0.162 0.000 0.999 1605 V HN 0.302 nan 8.190 nan 0.000 0.423 1606 V N 6.246 126.148 119.914 -0.020 0.000 2.667 1606 V HA 0.737 4.857 4.120 0.000 0.000 0.308 1606 V C -0.646 175.497 176.094 0.082 0.000 1.048 1606 V CA -0.252 62.123 62.300 0.125 0.000 0.928 1606 V CB 2.273 34.036 31.823 -0.099 0.000 1.004 1606 V HN 0.649 nan 8.190 nan 0.000 0.444 1607 V N 7.417 127.406 119.914 0.124 0.000 2.448 1607 V HA 0.564 4.684 4.120 0.000 0.000 0.295 1607 V C -0.294 175.873 176.094 0.121 0.000 1.025 1607 V CA -0.477 61.882 62.300 0.099 0.000 0.859 1607 V CB 1.425 33.285 31.823 0.062 0.000 0.988 1607 V HN 0.743 nan 8.190 nan 0.000 0.431 1608 L N 3.135 124.442 121.223 0.139 0.000 2.323 1608 L HA 0.716 5.056 4.340 0.000 0.000 0.265 1608 L C -0.882 176.120 176.870 0.219 0.000 1.012 1608 L CA -0.612 54.321 54.840 0.155 0.000 0.820 1608 L CB 2.284 44.413 42.059 0.117 0.000 1.334 1608 L HN 0.568 nan 8.230 nan 0.000 0.427 1609 D N 0.778 121.288 120.400 0.183 0.000 2.400 1609 D HA 0.488 5.128 4.640 0.000 0.000 0.272 1609 D C 0.485 176.815 176.300 0.050 0.000 1.220 1609 D CA 0.659 54.729 54.000 0.117 0.000 0.897 1609 D CB 0.818 41.722 40.800 0.174 0.000 1.134 1609 D HN 0.740 nan 8.370 nan 0.000 0.507 1610 G N 3.712 112.530 108.800 0.029 0.000 2.595 1610 G HA2 -0.319 3.641 3.960 0.000 0.000 0.297 1610 G HA3 -0.319 3.641 3.960 0.000 0.000 0.297 1610 G C 0.728 175.654 174.900 0.043 0.000 1.181 1610 G CA 0.292 45.405 45.100 0.022 0.000 0.963 1610 G HN 0.449 nan 8.290 nan 0.000 0.541 1611 E N 1.331 121.553 120.200 0.037 0.000 2.474 1611 E HA 0.178 4.528 4.350 0.000 0.000 0.195 1611 E C 1.260 177.889 176.600 0.049 0.000 1.039 1611 E CA 0.284 56.708 56.400 0.041 0.000 0.881 1611 E CB 0.578 30.292 29.700 0.024 0.000 0.970 1611 E HN 0.537 nan 8.360 nan 0.000 0.486 1612 Q N 0.827 120.662 119.800 0.059 0.000 2.243 1612 Q HA 0.222 4.562 4.340 0.000 0.000 0.252 1612 Q C -0.443 175.612 176.000 0.092 0.000 0.909 1612 Q CA -0.359 55.484 55.803 0.067 0.000 0.922 1612 Q CB 1.001 29.785 28.738 0.077 0.000 1.215 1612 Q HN -0.040 nan 8.270 nan 0.000 0.427 1613 I N 4.933 125.545 120.570 0.070 0.000 2.396 1613 I HA -0.016 4.154 4.170 0.000 0.000 0.289 1613 I C 0.602 176.829 176.117 0.183 0.000 1.056 1613 I CA 0.330 61.687 61.300 0.095 0.000 1.365 1613 I CB 0.895 38.887 38.000 -0.014 0.000 1.407 1613 I HN 0.654 nan 8.210 nan 0.000 0.509 1614 V N 5.947 125.989 119.914 0.214 0.000 2.788 1614 V HA 0.363 4.483 4.120 0.000 0.000 0.241 1614 V C 0.716 176.909 176.094 0.164 0.000 1.083 1614 V CA 0.929 63.340 62.300 0.186 0.000 1.103 1614 V CB 0.470 32.347 31.823 0.089 0.000 0.800 1614 V HN 0.878 nan 8.190 nan 0.000 0.476 1615 A N -0.885 122.042 122.820 0.177 0.000 2.586 1615 A HA 0.770 5.090 4.320 0.000 0.000 0.290 1615 A C -2.142 175.595 177.584 0.256 0.000 1.086 1615 A CA -0.331 51.721 52.037 0.026 0.000 0.665 1615 A CB 1.887 20.863 19.000 -0.040 0.000 1.279 1615 A HN 0.118 nan 8.150 nan 0.000 0.423 1616 F N -0.129 119.794 119.950 -0.044 0.000 2.623 1616 F HA 0.682 5.209 4.527 0.000 0.000 0.323 1616 F C -2.133 173.681 175.800 0.023 0.000 1.158 1616 F CA -0.816 57.226 58.000 0.071 0.000 1.030 1616 F CB 1.334 40.440 39.000 0.176 0.000 1.280 1616 F HN 0.467 nan 8.300 nan 0.000 0.474 1617 F N 5.556 125.223 119.950 -0.471 0.000 2.415 1617 F HA 0.561 5.088 4.527 0.000 0.000 0.348 1617 F C 0.073 175.487 175.800 -0.643 0.000 1.119 1617 F CA -0.472 57.284 58.000 -0.407 0.000 1.069 1617 F CB 1.434 40.154 39.000 -0.466 0.000 1.124 1617 F HN 0.370 nan 8.300 nan 0.000 0.472 1618 R N 1.910 122.395 120.500 -0.024 0.000 2.343 1618 R HA 0.511 4.851 4.340 0.000 0.000 0.320 1618 R C 0.431 176.838 176.300 0.178 0.000 0.956 1618 R CA -0.028 56.123 56.100 0.085 0.000 0.836 1618 R CB 1.194 31.703 30.300 0.348 0.000 1.151 1618 R HN 0.886 nan 8.270 nan 0.000 0.450 1619 G N 3.923 112.812 108.800 0.149 0.000 2.225 1619 G HA2 -0.266 3.694 3.960 0.000 0.000 0.264 1619 G HA3 -0.266 3.694 3.960 0.000 0.000 0.264 1619 G C -0.310 174.718 174.900 0.214 0.000 1.060 1619 G CA 0.161 45.359 45.100 0.164 0.000 0.833 1619 G HN 0.515 nan 8.290 nan 0.000 0.498 1620 L N 1.418 122.736 121.223 0.159 0.000 2.499 1620 L HA 0.593 4.933 4.340 0.000 0.000 0.273 1620 L C 0.509 177.464 176.870 0.141 0.000 1.195 1620 L CA 0.665 55.581 54.840 0.127 0.000 0.882 1620 L CB 0.650 42.624 42.059 -0.141 0.000 1.133 1620 L HN 0.185 nan 8.230 nan 0.000 0.483 1621 T N 6.713 121.380 114.554 0.188 0.000 2.807 1621 T HA 0.615 4.965 4.350 0.000 0.000 0.279 1621 T C -0.361 174.436 174.700 0.161 0.000 0.993 1621 T CA -0.439 61.769 62.100 0.179 0.000 0.970 1621 T CB 0.979 69.984 68.868 0.228 0.000 0.950 1621 T HN 0.470 nan 8.240 nan 0.000 0.441 1622 L N 2.509 123.796 121.223 0.106 0.000 2.354 1622 L HA 0.678 5.018 4.340 0.000 0.000 0.269 1622 L C 0.082 177.027 176.870 0.124 0.000 1.005 1622 L CA -1.070 53.848 54.840 0.130 0.000 0.819 1622 L CB 2.228 44.347 42.059 0.100 0.000 1.311 1622 L HN 0.396 nan 8.230 nan 0.000 0.423 1623 R N 1.065 121.627 120.500 0.105 0.000 2.494 1623 R HA 0.415 4.755 4.340 0.000 0.000 0.305 1623 R C -0.758 175.512 176.300 -0.049 0.000 0.959 1623 R CA -0.346 55.746 56.100 -0.014 0.000 0.864 1623 R CB 2.051 32.271 30.300 -0.134 0.000 1.159 1623 R HN 0.645 nan 8.270 nan 0.000 0.446 1624 S N 3.641 119.232 115.700 -0.182 0.000 2.474 1624 S HA 0.369 4.839 4.470 0.000 0.000 0.276 1624 S C -0.334 174.108 174.600 -0.263 0.000 1.227 1624 S CA -0.532 57.376 58.200 -0.486 0.000 1.050 1624 S CB 0.328 63.197 63.200 -0.553 0.000 0.939 1624 S HN 0.419 nan 8.310 nan 0.000 0.490 1625 V N 3.115 122.885 119.914 -0.239 0.000 2.962 1625 V HA 0.767 4.887 4.120 0.000 0.000 0.313 1625 V C -3.080 172.934 176.094 -0.133 0.000 1.099 1625 V CA -2.921 59.295 62.300 -0.140 0.000 0.971 1625 V CB 1.397 33.170 31.823 -0.084 0.000 1.028 1625 V HN 0.589 nan 8.190 nan 0.000 0.430 1626 P HA 0.328 nan 4.420 nan 0.000 0.271 1626 P C 0.230 177.488 177.300 -0.069 0.000 1.216 1626 P CA -0.141 62.911 63.100 -0.080 0.000 0.771 1626 P CB 0.869 32.533 31.700 -0.059 0.000 0.864 1627 R N 3.829 124.289 120.500 -0.066 0.000 2.081 1627 R HA -0.106 4.234 4.340 0.000 0.000 0.235 1627 R C 2.169 178.444 176.300 -0.041 0.000 1.131 1627 R CA 2.453 58.521 56.100 -0.054 0.000 0.960 1627 R CB -1.433 28.838 30.300 -0.049 0.000 0.856 1627 R HN 0.633 nan 8.270 nan 0.000 0.436 1628 G N -0.425 108.352 108.800 -0.038 0.000 2.404 1628 G HA2 -0.218 3.742 3.960 0.000 0.000 0.215 1628 G HA3 -0.218 3.742 3.960 0.000 0.000 0.215 1628 G C 1.587 176.470 174.900 -0.028 0.000 1.174 1628 G CA 0.819 45.901 45.100 -0.030 0.000 0.780 1628 G HN 0.489 nan 8.290 nan 0.000 0.537 1629 A N 0.603 123.404 122.820 -0.031 0.000 1.883 1629 A HA -0.037 4.283 4.320 0.000 0.000 0.217 1629 A C 2.387 179.956 177.584 -0.025 0.000 1.186 1629 A CA 1.877 53.897 52.037 -0.027 0.000 0.624 1629 A CB -0.578 18.404 19.000 -0.030 0.000 0.822 1629 A HN 0.518 nan 8.150 nan 0.000 0.444 1630 L N 0.009 121.214 121.223 -0.030 0.000 2.013 1630 L HA -0.213 4.127 4.340 0.000 0.000 0.212 1630 L C 2.479 179.335 176.870 -0.024 0.000 1.073 1630 L CA 2.740 57.563 54.840 -0.027 0.000 0.753 1630 L CB -0.663 41.376 42.059 -0.034 0.000 0.890 1630 L HN 0.506 nan 8.230 nan 0.000 0.432 1631 R N -0.922 119.562 120.500 -0.026 0.000 2.070 1631 R HA -0.145 4.195 4.340 0.000 0.000 0.233 1631 R C 2.096 178.385 176.300 -0.019 0.000 1.137 1631 R CA 2.159 58.244 56.100 -0.024 0.000 0.945 1631 R CB -0.476 29.810 30.300 -0.024 0.000 0.845 1631 R HN 0.367 nan 8.270 nan 0.000 0.430 1632 V N 0.581 120.485 119.914 -0.018 0.000 2.282 1632 V HA -0.264 3.856 4.120 0.000 0.000 0.249 1632 V C 2.462 178.549 176.094 -0.012 0.000 1.057 1632 V CA 1.903 64.195 62.300 -0.015 0.000 1.032 1632 V CB -0.398 31.416 31.823 -0.015 0.000 0.645 1632 V HN 0.230 nan 8.190 nan 0.000 0.447 1633 V N -0.227 119.679 119.914 -0.012 0.000 2.295 1633 V HA -0.266 3.854 4.120 0.000 0.000 0.246 1633 V C 2.314 178.404 176.094 -0.006 0.000 1.049 1633 V CA 2.082 64.377 62.300 -0.009 0.000 1.024 1633 V CB -0.623 31.195 31.823 -0.008 0.000 0.648 1633 V HN 0.448 nan 8.190 nan 0.000 0.447 1634 L N -0.399 120.818 121.223 -0.010 0.000 2.083 1634 L HA -0.232 4.108 4.340 0.000 0.000 0.209 1634 L C 2.595 179.461 176.870 -0.008 0.000 1.083 1634 L CA 1.602 56.436 54.840 -0.010 0.000 0.752 1634 L CB -0.626 41.422 42.059 -0.019 0.000 0.899 1634 L HN 0.403 nan 8.230 nan 0.000 0.433 1635 Q N -0.962 118.832 119.800 -0.009 0.000 2.435 1635 Q HA -0.005 4.335 4.340 0.000 0.000 0.207 1635 Q C 0.587 176.585 176.000 -0.003 0.000 0.956 1635 Q CA 0.488 56.287 55.803 -0.007 0.000 0.917 1635 Q CB 0.046 28.778 28.738 -0.010 0.000 0.997 1635 Q HN 0.457 nan 8.270 nan 0.000 0.497 1636 T N 0.000 114.553 114.554 -0.002 0.000 3.816 1636 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1636 T CA 0.000 62.100 62.100 0.000 0.000 1.349 1636 T CB 0.000 68.866 68.868 -0.003 0.000 0.612 1636 T HN 0.000 nan 8.240 nan 0.000 0.658