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 1uwv_1_A DATA FIRST_RESID 15 DATA SEQUENCE QIITVSVNDL DSFGQGVARH NGKTLFIPGL LPQENAEVTV TEDKKQYARA DATA SEQUENCE KVVRRLSDSP ERETPRCPHF GVCGGCQQQH ASVDLQQRSK SAALARLXKH DATA SEQUENCE DVSEVIADVP WGYRRRARLS LNYLPKTQQL QXGFRKAGSS DIVDVKQCPI DATA SEQUENCE LAPQLEALLP KVRACLGSLQ AXRHLGHVEL VQATSGTLXI LRHTAPLSSA DATA SEQUENCE DREKLERFSH SEGLDLYLAP DSEILETVSG EXPWYDSNGL RLTFSPRDFI DATA SEQUENCE QVNAGVNQKX VARALEWLDV QPEDRVLDLF CGXGNFTLPL ATQAASVVGV DATA SEQUENCE EGVPALVEKG QQNARLNGLQ NVTFYHENLE EDVTKQPWAK NGFDKVLLDP DATA SEQUENCE ARAGAAGVXQ QIIKLEPIRI VYVSCNPATL ARDSEALLKA GYTIARLAXL DATA SEQUENCE DXFPHTGHLE SXVLFSRV 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 15 Q HA 0.000 nan 4.340 nan 0.000 0.214 15 Q C 0.000 175.991 176.000 -0.014 0.000 1.003 15 Q CA 0.000 55.789 55.803 -0.023 0.000 1.022 15 Q CB 0.000 28.729 28.738 -0.014 0.000 1.108 16 I N 2.316 122.879 120.570 -0.013 0.000 8.654 16 I HA -0.273 3.901 4.170 0.007 0.000 0.126 16 I C -1.710 174.415 176.117 0.015 0.000 1.837 16 I CA 1.217 62.518 61.300 0.002 0.000 2.076 16 I CB -0.013 37.993 38.000 0.009 0.000 3.830 16 I HN 0.591 nan 8.210 nan 0.000 0.181 17 I N 3.486 124.075 120.570 0.031 0.000 3.102 17 I HA 0.822 4.996 4.170 0.007 0.000 0.310 17 I C -0.375 175.806 176.117 0.107 0.000 1.246 17 I CA -0.724 60.631 61.300 0.091 0.000 0.979 17 I CB 2.378 40.429 38.000 0.085 0.000 1.267 17 I HN 0.516 nan 8.210 nan 0.000 0.451 18 T N 3.131 117.762 114.554 0.129 0.000 2.794 18 T HA 0.696 5.051 4.350 0.007 0.000 0.280 18 T C -0.345 174.406 174.700 0.085 0.000 0.987 18 T CA -0.523 61.626 62.100 0.082 0.000 0.993 18 T CB 1.466 70.360 68.868 0.044 0.000 0.939 18 T HN 0.805 nan 8.240 nan 0.000 0.449 19 V N 0.255 120.211 119.914 0.070 0.000 3.130 19 V HA 0.947 5.071 4.120 0.007 0.000 0.310 19 V C -0.629 175.483 176.094 0.031 0.000 1.158 19 V CA -0.874 61.459 62.300 0.055 0.000 1.029 19 V CB 2.229 34.103 31.823 0.085 0.000 1.057 19 V HN 0.743 nan 8.190 nan 0.000 0.436 20 S N 1.272 116.982 115.700 0.017 0.000 2.502 20 S HA 0.725 5.199 4.470 0.007 0.000 0.304 20 S C -0.731 173.875 174.600 0.011 0.000 1.097 20 S CA -0.480 57.728 58.200 0.013 0.000 1.045 20 S CB 1.480 64.680 63.200 0.001 0.000 1.019 20 S HN 1.018 nan 8.310 nan 0.000 0.481 21 V N 6.011 125.936 119.914 0.018 0.000 2.488 21 V HA 0.238 4.362 4.120 0.007 0.000 0.277 21 V C 0.897 176.994 176.094 0.005 0.000 1.046 21 V CA -0.282 62.028 62.300 0.016 0.000 0.986 21 V CB 1.127 32.972 31.823 0.037 0.000 0.989 21 V HN 0.875 nan 8.190 nan 0.000 0.475 22 N N 2.421 121.117 118.700 -0.007 0.000 2.387 22 N HA 0.086 4.830 4.740 0.007 0.000 0.176 22 N C 0.127 175.633 175.510 -0.008 0.000 1.022 22 N CA 0.623 53.666 53.050 -0.011 0.000 0.883 22 N CB 0.379 38.853 38.487 -0.021 0.000 1.019 22 N HN 0.643 nan 8.380 nan 0.000 0.435 23 D N -0.428 119.969 120.400 -0.005 0.000 2.602 23 D HA 0.272 4.917 4.640 0.007 0.000 0.236 23 D C -1.134 175.174 176.300 0.013 0.000 1.209 23 D CA -0.424 53.574 54.000 -0.003 0.000 0.831 23 D CB 2.568 43.362 40.800 -0.009 0.000 1.478 23 D HN -0.197 nan 8.370 nan 0.000 0.438 24 L N 2.675 123.900 121.223 0.004 0.000 2.298 24 L HA 0.235 4.580 4.340 0.007 0.000 0.284 24 L C -0.416 176.444 176.870 -0.017 0.000 1.013 24 L CA -0.641 54.207 54.840 0.013 0.000 0.824 24 L CB 1.159 43.212 42.059 -0.010 0.000 1.221 24 L HN 0.475 nan 8.230 nan 0.000 0.418 25 D N 2.360 122.761 120.400 0.000 0.000 2.377 25 D HA 0.057 4.701 4.640 0.007 0.000 0.245 25 D C 0.867 176.987 176.300 -0.299 0.000 1.196 25 D CA -0.409 53.520 54.000 -0.118 0.000 0.962 25 D CB 1.173 41.974 40.800 0.002 0.000 1.127 25 D HN 0.368 nan 8.370 nan 0.000 0.471 26 S N -0.680 114.646 115.700 -0.623 0.000 2.389 26 S HA -0.198 4.277 4.470 0.007 0.000 0.231 26 S C 1.359 175.694 174.600 -0.442 0.000 1.052 26 S CA 1.375 59.192 58.200 -0.638 0.000 1.053 26 S CB -0.575 62.092 63.200 -0.889 0.000 0.886 26 S HN 0.555 nan 8.310 nan 0.000 0.456 27 F N 0.222 120.183 119.950 0.018 0.000 2.797 27 F HA 0.415 4.947 4.527 0.008 0.000 0.302 27 F C 1.835 177.676 175.800 0.069 0.000 1.130 27 F CA 0.016 58.022 58.000 0.010 0.000 1.387 27 F CB -0.784 38.193 39.000 -0.037 0.000 1.107 27 F HN 0.261 nan 8.300 nan 0.000 0.577 28 G N -0.048 108.848 108.800 0.160 0.000 2.175 28 G HA2 -0.266 3.698 3.960 0.007 0.000 0.244 28 G HA3 -0.266 3.698 3.960 0.007 0.000 0.244 28 G C 0.153 175.219 174.900 0.277 0.000 0.982 28 G CA -0.325 44.905 45.100 0.216 0.000 0.641 28 G HN 0.408 nan 8.290 nan 0.000 0.527 29 Q N 0.364 120.319 119.800 0.260 0.000 2.259 29 Q HA 0.542 4.887 4.340 0.007 0.000 0.249 29 Q C 0.919 177.069 176.000 0.251 0.000 0.914 29 Q CA 0.191 56.157 55.803 0.271 0.000 0.904 29 Q CB 1.324 30.248 28.738 0.312 0.000 1.213 29 Q HN 0.465 nan 8.270 nan 0.000 0.428 30 G N 0.632 109.561 108.800 0.216 0.000 2.483 30 G HA2 0.381 4.346 3.960 0.007 0.000 0.248 30 G HA3 0.381 4.346 3.960 0.007 0.000 0.248 30 G C -0.748 174.220 174.900 0.114 0.000 1.248 30 G CA -0.404 44.783 45.100 0.146 0.000 0.838 30 G HN 0.400 nan 8.290 nan 0.000 0.566 31 V N 1.298 121.233 119.914 0.035 0.000 2.409 31 V HA 0.730 4.854 4.120 0.007 0.000 0.291 31 V C 0.457 176.493 176.094 -0.097 0.000 1.020 31 V CA -0.381 61.857 62.300 -0.104 0.000 0.848 31 V CB 0.620 32.391 31.823 -0.087 0.000 0.990 31 V HN 1.152 nan 8.190 nan 0.000 0.430 32 A N 5.661 128.401 122.820 -0.134 0.000 2.486 32 A HA 0.975 5.299 4.320 0.007 0.000 0.289 32 A C -0.693 176.842 177.584 -0.081 0.000 1.176 32 A CA -0.958 51.038 52.037 -0.069 0.000 0.757 32 A CB 1.993 20.981 19.000 -0.019 0.000 1.337 32 A HN 0.636 nan 8.150 nan 0.000 0.423 33 R N 0.094 120.576 120.500 -0.030 0.000 2.621 33 R HA 0.506 4.850 4.340 0.007 0.000 0.292 33 R C -1.633 174.701 176.300 0.057 0.000 0.969 33 R CA -0.448 55.649 56.100 -0.005 0.000 0.887 33 R CB 1.885 32.175 30.300 -0.017 0.000 1.180 33 R HN 0.960 nan 8.270 nan 0.000 0.450 34 H N 1.350 120.405 119.070 -0.025 0.000 2.759 34 H HA 0.125 4.686 4.556 0.007 0.000 0.354 34 H C -0.202 175.121 175.328 -0.009 0.000 1.074 34 H CA -0.337 55.702 56.048 -0.014 0.000 1.226 34 H CB 1.055 30.811 29.762 -0.010 0.000 1.648 34 H HN 0.670 nan 8.280 nan 0.000 0.529 35 N N 3.351 122.173 118.700 0.203 0.000 2.721 35 N HA -0.199 4.546 4.740 0.007 0.000 0.249 35 N C 0.907 176.468 175.510 0.086 0.000 1.072 35 N CA 1.907 55.053 53.050 0.161 0.000 0.710 35 N CB -1.162 37.487 38.487 0.270 0.000 0.993 35 N HN 1.166 nan 8.380 nan 0.000 0.547 36 G N -1.379 107.452 108.800 0.052 0.000 2.184 36 G HA2 -0.379 3.586 3.960 0.007 0.000 0.264 36 G HA3 -0.379 3.586 3.960 0.007 0.000 0.264 36 G C 0.056 174.979 174.900 0.039 0.000 0.975 36 G CA 0.930 46.050 45.100 0.033 0.000 0.642 36 G HN 0.814 nan 8.290 nan 0.000 0.536 37 K N 0.990 121.421 120.400 0.052 0.000 2.182 37 K HA 0.630 4.954 4.320 0.007 0.000 0.262 37 K C 0.410 177.027 176.600 0.027 0.000 0.957 37 K CA -0.243 56.072 56.287 0.048 0.000 0.842 37 K CB 0.899 33.427 32.500 0.046 0.000 1.099 37 K HN -0.007 nan 8.250 nan 0.000 0.438 38 T N 4.263 118.827 114.554 0.017 0.000 2.888 38 T HA 0.152 4.506 4.350 0.007 0.000 0.301 38 T C -0.304 174.323 174.700 -0.121 0.000 1.001 38 T CA -0.044 62.001 62.100 -0.093 0.000 1.147 38 T CB 0.082 68.878 68.868 -0.120 0.000 0.931 38 T HN 0.370 nan 8.240 nan 0.000 0.541 39 L N 3.893 124.981 121.223 -0.227 0.000 2.333 39 L HA 0.499 4.843 4.340 0.007 0.000 0.280 39 L C -1.025 175.667 176.870 -0.297 0.000 1.004 39 L CA -0.799 53.958 54.840 -0.139 0.000 0.820 39 L CB 1.202 43.243 42.059 -0.030 0.000 1.247 39 L HN 0.616 nan 8.230 nan 0.000 0.416 40 F N 4.781 124.817 119.950 0.144 0.000 2.361 40 F HA 0.418 4.952 4.527 0.011 0.000 0.364 40 F C -0.003 175.860 175.800 0.105 0.000 1.120 40 F CA -0.471 57.607 58.000 0.130 0.000 1.102 40 F CB 0.997 40.091 39.000 0.156 0.000 1.183 40 F HN 0.183 nan 8.300 nan 0.000 0.476 41 I N 5.802 126.507 120.570 0.225 0.000 2.390 41 I HA 0.371 4.545 4.170 0.007 0.000 0.283 41 I C -2.458 173.754 176.117 0.158 0.000 1.016 41 I CA -2.336 59.057 61.300 0.156 0.000 1.151 41 I CB 1.048 39.111 38.000 0.106 0.000 1.293 41 I HN 0.277 nan 8.210 nan 0.000 0.458 42 P HA 0.215 nan 4.420 nan 0.000 0.268 42 P C 0.969 178.305 177.300 0.060 0.000 1.205 42 P CA 0.340 63.496 63.100 0.093 0.000 0.771 42 P CB 0.768 32.488 31.700 0.033 0.000 0.858 43 G N 1.260 110.082 108.800 0.037 0.000 2.179 43 G HA2 -0.219 3.745 3.960 0.007 0.000 0.260 43 G HA3 -0.219 3.745 3.960 0.007 0.000 0.260 43 G C -0.229 174.776 174.900 0.175 0.000 0.977 43 G CA -0.355 44.719 45.100 -0.044 0.000 0.641 43 G HN 0.477 nan 8.290 nan 0.000 0.533 44 L N 0.516 121.876 121.223 0.228 0.000 2.346 44 L HA 0.713 5.057 4.340 0.007 0.000 0.276 44 L C 0.462 177.447 176.870 0.193 0.000 1.006 44 L CA -0.980 53.974 54.840 0.191 0.000 0.817 44 L CB 1.674 43.807 42.059 0.124 0.000 1.272 44 L HN 0.054 nan 8.230 nan 0.000 0.421 45 L N 3.314 124.620 121.223 0.138 0.000 2.332 45 L HA 0.547 4.892 4.340 0.007 0.000 0.269 45 L C -2.239 174.660 176.870 0.047 0.000 1.016 45 L CA -2.198 52.687 54.840 0.075 0.000 0.809 45 L CB 1.647 43.729 42.059 0.039 0.000 1.280 45 L HN 0.316 nan 8.230 nan 0.000 0.447 46 P HA -0.027 nan 4.420 nan 0.000 0.261 46 P C -0.482 176.827 177.300 0.016 0.000 1.173 46 P CA 0.485 63.593 63.100 0.014 0.000 0.760 46 P CB 0.429 32.129 31.700 0.000 0.000 0.783 47 Q N -0.986 118.823 119.800 0.015 0.000 2.374 47 Q HA -0.219 4.125 4.340 0.007 0.000 0.218 47 Q C -0.344 175.668 176.000 0.021 0.000 0.691 47 Q CA 1.319 57.130 55.803 0.013 0.000 1.340 47 Q CB -2.352 26.391 28.738 0.008 0.000 1.498 47 Q HN 0.648 nan 8.270 nan 0.000 0.739 48 E N 0.224 120.443 120.200 0.031 0.000 2.343 48 E HA 0.387 4.741 4.350 0.007 0.000 0.269 48 E C -0.265 176.356 176.600 0.036 0.000 1.047 48 E CA -0.328 56.095 56.400 0.039 0.000 0.874 48 E CB 0.547 30.281 29.700 0.056 0.000 1.033 48 E HN 0.244 nan 8.360 nan 0.000 0.409 49 N N 0.229 118.949 118.700 0.034 0.000 2.430 49 N HA 0.671 5.415 4.740 0.007 0.000 0.298 49 N C -1.367 174.165 175.510 0.038 0.000 1.130 49 N CA -0.548 52.521 53.050 0.031 0.000 0.894 49 N CB 1.796 40.297 38.487 0.023 0.000 1.209 49 N HN 0.454 nan 8.380 nan 0.000 0.503 50 A N 0.667 123.511 122.820 0.039 0.000 2.594 50 A HA 0.330 4.655 4.320 0.007 0.000 0.296 50 A C -1.330 176.279 177.584 0.043 0.000 1.061 50 A CA -0.698 51.364 52.037 0.042 0.000 0.689 50 A CB 1.015 20.045 19.000 0.049 0.000 1.280 50 A HN 0.641 nan 8.150 nan 0.000 0.406 51 E N 0.482 120.705 120.200 0.038 0.000 2.259 51 E HA 0.452 4.806 4.350 0.007 0.000 0.281 51 E C -0.186 176.435 176.600 0.036 0.000 1.037 51 E CA -0.207 56.215 56.400 0.037 0.000 0.854 51 E CB 1.426 31.144 29.700 0.030 0.000 1.051 51 E HN 0.871 nan 8.360 nan 0.000 0.409 52 V N 0.063 119.999 119.914 0.036 0.000 3.159 52 V HA 0.706 4.831 4.120 0.007 0.000 0.308 52 V C -0.620 175.483 176.094 0.015 0.000 1.190 52 V CA -0.814 61.504 62.300 0.030 0.000 1.037 52 V CB 2.273 34.120 31.823 0.040 0.000 1.060 52 V HN 0.601 nan 8.190 nan 0.000 0.437 53 T N 1.392 115.951 114.554 0.009 0.000 2.861 53 T HA 0.636 4.990 4.350 0.007 0.000 0.287 53 T C -0.465 174.230 174.700 -0.008 0.000 1.003 53 T CA -0.363 61.733 62.100 -0.006 0.000 0.977 53 T CB 1.538 70.403 68.868 -0.004 0.000 0.996 53 T HN 1.608 nan 8.240 nan 0.000 0.448 54 V N 2.056 121.954 119.914 -0.026 0.000 2.432 54 V HA 0.465 4.590 4.120 0.007 0.000 0.275 54 V C 0.530 176.609 176.094 -0.026 0.000 1.043 54 V CA 0.219 62.504 62.300 -0.025 0.000 0.925 54 V CB 1.214 33.008 31.823 -0.048 0.000 0.985 54 V HN 1.008 nan 8.190 nan 0.000 0.466 55 T N 4.877 119.421 114.554 -0.017 0.000 3.060 55 T HA 0.275 4.629 4.350 0.007 0.000 0.249 55 T C 0.078 174.760 174.700 -0.030 0.000 1.079 55 T CA 0.501 62.589 62.100 -0.021 0.000 1.013 55 T CB -0.139 68.721 68.868 -0.014 0.000 0.975 55 T HN 0.865 nan 8.240 nan 0.000 0.518 56 E N 2.127 122.305 120.200 -0.036 0.000 2.518 56 E HA 0.256 4.610 4.350 0.007 0.000 0.240 56 E C -1.159 175.383 176.600 -0.097 0.000 0.996 56 E CA -0.372 55.993 56.400 -0.058 0.000 0.768 56 E CB 1.031 30.706 29.700 -0.042 0.000 1.329 56 E HN 0.118 nan 8.360 nan 0.000 0.408 57 D N 3.228 123.567 120.400 -0.102 0.000 2.344 57 D HA 0.225 4.869 4.640 0.007 0.000 0.239 57 D C -0.578 175.634 176.300 -0.146 0.000 1.064 57 D CA -0.417 53.509 54.000 -0.122 0.000 0.829 57 D CB 0.715 41.464 40.800 -0.086 0.000 1.129 57 D HN 0.122 nan 8.370 nan 0.000 0.506 58 K N 2.439 122.708 120.400 -0.217 0.000 2.349 58 K HA 0.243 4.568 4.320 0.007 0.000 0.243 58 K C 1.458 177.983 176.600 -0.125 0.000 1.058 58 K CA -0.767 55.395 56.287 -0.208 0.000 0.871 58 K CB 1.576 33.847 32.500 -0.381 0.000 1.337 58 K HN 0.323 nan 8.250 nan 0.000 0.469 59 K N 0.800 121.163 120.400 -0.061 0.000 1.972 59 K HA -0.225 4.100 4.320 0.007 0.000 0.227 59 K C 1.237 177.871 176.600 0.056 0.000 1.046 59 K CA 1.462 57.754 56.287 0.008 0.000 1.013 59 K CB -0.353 32.170 32.500 0.037 0.000 0.741 59 K HN 0.339 nan 8.250 nan 0.000 0.446 60 Q N 0.188 120.081 119.800 0.154 0.000 2.444 60 Q HA 0.072 4.416 4.340 0.007 0.000 0.206 60 Q C 0.001 176.210 176.000 0.348 0.000 0.948 60 Q CA 0.513 56.455 55.803 0.231 0.000 0.946 60 Q CB 0.012 28.901 28.738 0.252 0.000 1.027 60 Q HN 0.656 nan 8.270 nan 0.000 0.513 61 Y N -4.002 116.356 120.300 0.096 0.000 2.814 61 Y HA 0.641 5.196 4.550 0.008 0.000 0.348 61 Y C -1.953 174.019 175.900 0.120 0.000 1.245 61 Y CA -1.435 56.749 58.100 0.140 0.000 1.086 61 Y CB 0.456 39.104 38.460 0.314 0.000 1.373 61 Y HN -0.174 nan 8.280 nan 0.000 0.451 62 A N 1.542 124.422 122.820 0.100 0.000 2.594 62 A HA 0.927 5.251 4.320 0.007 0.000 0.291 62 A C -1.545 176.151 177.584 0.187 0.000 1.105 62 A CA -1.315 50.701 52.037 -0.036 0.000 0.694 62 A CB 2.070 21.049 19.000 -0.036 0.000 1.291 62 A HN 0.767 nan 8.150 nan 0.000 0.410 63 R N -0.508 120.057 120.500 0.107 0.000 2.803 63 R HA 0.839 5.184 4.340 0.007 0.000 0.276 63 R C -0.619 175.734 176.300 0.088 0.000 0.978 63 R CA -0.453 55.753 56.100 0.176 0.000 0.939 63 R CB 2.386 32.783 30.300 0.161 0.000 1.179 63 R HN 1.150 nan 8.270 nan 0.000 0.472 64 A N 1.494 124.372 122.820 0.097 0.000 2.609 64 A HA 0.624 4.948 4.320 0.007 0.000 0.291 64 A C -1.520 176.098 177.584 0.057 0.000 1.096 64 A CA -0.831 51.239 52.037 0.055 0.000 0.684 64 A CB 1.864 20.888 19.000 0.040 0.000 1.282 64 A HN 0.349 nan 8.150 nan 0.000 0.412 65 K N 0.495 120.916 120.400 0.036 0.000 2.259 65 K HA 0.583 4.907 4.320 0.007 0.000 0.249 65 K C -0.715 175.904 176.600 0.030 0.000 0.942 65 K CA -0.664 55.641 56.287 0.031 0.000 0.816 65 K CB 1.912 34.422 32.500 0.016 0.000 1.155 65 K HN 0.495 nan 8.250 nan 0.000 0.428 66 V N 3.124 123.057 119.914 0.032 0.000 2.521 66 V HA 0.025 4.149 4.120 0.007 0.000 0.286 66 V C 1.360 177.469 176.094 0.025 0.000 1.034 66 V CA 0.021 62.341 62.300 0.034 0.000 1.045 66 V CB 1.120 32.967 31.823 0.040 0.000 0.974 66 V HN 0.631 nan 8.190 nan 0.000 0.480 67 V N 5.256 125.184 119.914 0.024 0.000 2.581 67 V HA 0.337 4.461 4.120 0.007 0.000 0.240 67 V C 0.954 177.061 176.094 0.022 0.000 1.054 67 V CA 0.751 63.062 62.300 0.019 0.000 1.076 67 V CB 0.308 32.141 31.823 0.016 0.000 0.748 67 V HN 0.860 nan 8.190 nan 0.000 0.474 68 R N 0.677 121.192 120.500 0.026 0.000 2.510 68 R HA 0.420 4.764 4.340 0.007 0.000 0.294 68 R C -0.513 175.807 176.300 0.033 0.000 1.056 68 R CA -0.584 55.533 56.100 0.027 0.000 0.918 68 R CB 1.195 31.509 30.300 0.024 0.000 1.187 68 R HN 0.348 nan 8.270 nan 0.000 0.437 69 R N 4.520 125.043 120.500 0.037 0.000 2.298 69 R HA 0.166 4.510 4.340 0.007 0.000 0.310 69 R C 0.404 176.726 176.300 0.038 0.000 1.068 69 R CA -0.031 56.095 56.100 0.043 0.000 0.957 69 R CB 0.675 31.007 30.300 0.053 0.000 1.003 69 R HN 0.700 nan 8.270 nan 0.000 0.454 70 L N 2.198 123.442 121.223 0.035 0.000 2.375 70 L HA 0.094 4.438 4.340 0.007 0.000 0.215 70 L C 0.626 177.513 176.870 0.029 0.000 1.108 70 L CA 0.334 55.192 54.840 0.029 0.000 0.830 70 L CB 0.145 42.219 42.059 0.026 0.000 0.959 70 L HN 0.672 nan 8.230 nan 0.000 0.457 71 S N -2.385 113.335 115.700 0.033 0.000 2.625 71 S HA 0.512 4.986 4.470 0.007 0.000 0.271 71 S C -1.662 172.962 174.600 0.039 0.000 1.161 71 S CA -0.997 57.222 58.200 0.032 0.000 0.820 71 S CB 2.461 65.677 63.200 0.026 0.000 1.137 71 S HN -0.104 nan 8.310 nan 0.000 0.470 72 D N 1.288 121.710 120.400 0.037 0.000 2.505 72 D HA 0.593 5.237 4.640 0.007 0.000 0.249 72 D C -0.614 175.708 176.300 0.035 0.000 1.082 72 D CA -0.049 53.977 54.000 0.042 0.000 0.839 72 D CB 2.026 42.850 40.800 0.040 0.000 1.317 72 D HN 0.549 nan 8.370 nan 0.000 0.497 73 S N 1.992 117.715 115.700 0.039 0.000 2.576 73 S HA 0.213 4.688 4.470 0.007 0.000 0.276 73 S C -1.344 173.271 174.600 0.025 0.000 1.339 73 S CA -1.117 57.100 58.200 0.028 0.000 1.039 73 S CB 0.815 64.030 63.200 0.025 0.000 0.902 73 S HN 0.272 nan 8.310 nan 0.000 0.516 74 P HA -0.011 nan 4.420 nan 0.000 0.223 74 P C 0.456 177.765 177.300 0.015 0.000 1.151 74 P CA 0.808 63.918 63.100 0.016 0.000 0.787 74 P CB 0.097 31.804 31.700 0.012 0.000 0.788 75 E N -0.143 120.063 120.200 0.010 0.000 2.502 75 E HA -0.018 4.337 4.350 0.007 0.000 0.194 75 E C 0.879 177.483 176.600 0.007 0.000 1.062 75 E CA -0.047 56.355 56.400 0.003 0.000 0.867 75 E CB -0.303 29.389 29.700 -0.012 0.000 0.888 75 E HN 0.292 nan 8.360 nan 0.000 0.510 76 R N 1.932 122.447 120.500 0.024 0.000 2.442 76 R HA 0.016 4.360 4.340 0.007 0.000 0.291 76 R C 0.092 176.424 176.300 0.054 0.000 1.069 76 R CA 0.367 56.493 56.100 0.045 0.000 1.022 76 R CB 0.462 30.802 30.300 0.066 0.000 0.976 76 R HN -0.199 nan 8.270 nan 0.000 0.443 77 E N 2.213 122.455 120.200 0.070 0.000 2.281 77 E HA 0.233 4.587 4.350 0.007 0.000 0.262 77 E C -0.736 175.912 176.600 0.081 0.000 0.933 77 E CA -0.870 55.575 56.400 0.075 0.000 0.809 77 E CB 1.971 31.729 29.700 0.097 0.000 1.242 77 E HN 0.545 nan 8.360 nan 0.000 0.418 78 T N 3.179 117.765 114.554 0.054 0.000 2.729 78 T HA 0.296 4.650 4.350 0.007 0.000 0.296 78 T C -2.290 172.409 174.700 -0.001 0.000 0.928 78 T CA -1.182 60.939 62.100 0.036 0.000 1.045 78 T CB 0.548 69.423 68.868 0.012 0.000 0.902 78 T HN 0.055 nan 8.240 nan 0.000 0.500 79 P HA 0.126 nan 4.420 nan 0.000 0.264 79 P C 0.720 177.940 177.300 -0.134 0.000 1.183 79 P CA -0.056 62.971 63.100 -0.121 0.000 0.763 79 P CB 0.612 32.264 31.700 -0.079 0.000 0.807 80 R N 1.003 121.347 120.500 -0.260 0.000 2.193 80 R HA 0.045 4.389 4.340 0.007 0.000 0.213 80 R C 0.557 176.689 176.300 -0.281 0.000 1.055 80 R CA 0.389 56.234 56.100 -0.425 0.000 0.995 80 R CB -0.065 29.610 30.300 -1.040 0.000 0.893 80 R HN 0.470 nan 8.270 nan 0.000 0.459 81 C N 1.754 120.968 119.300 -0.143 0.000 2.319 81 C HA 0.362 4.826 4.460 0.007 0.000 0.335 81 C C -1.168 173.810 174.990 -0.019 0.000 1.274 81 C CA -2.332 56.644 59.018 -0.071 0.000 1.806 81 C CB 1.313 29.096 27.740 0.071 0.000 2.329 81 C HN 0.262 nan 8.230 nan 0.000 0.524 82 P HA -0.049 nan 4.420 nan 0.000 0.229 82 P C 0.609 177.982 177.300 0.123 0.000 1.160 82 P CA 1.465 64.535 63.100 -0.049 0.000 0.777 82 P CB -0.123 31.501 31.700 -0.127 0.000 0.814 83 H N -2.323 116.819 119.070 0.120 0.000 2.548 83 H HA 0.123 4.682 4.556 0.006 0.000 0.265 83 H C 0.563 175.983 175.328 0.153 0.000 0.969 83 H CA -0.753 55.365 56.048 0.117 0.000 1.155 83 H CB -0.240 29.595 29.762 0.122 0.000 1.394 83 H HN 0.063 nan 8.280 nan 0.000 0.570 84 F N 1.666 121.708 119.950 0.153 0.000 2.608 84 F HA 0.185 4.715 4.527 0.005 0.000 0.380 84 F C 1.368 177.217 175.800 0.082 0.000 1.083 84 F CA 1.442 59.513 58.000 0.119 0.000 1.266 84 F CB 0.363 39.425 39.000 0.105 0.000 1.076 84 F HN 0.315 nan 8.300 nan 0.000 0.574 85 G N 3.162 111.487 108.800 -0.792 0.000 2.238 85 G HA2 -0.227 3.737 3.960 0.007 0.000 0.217 85 G HA3 -0.227 3.737 3.960 0.007 0.000 0.217 85 G C 0.343 175.096 174.900 -0.246 0.000 0.996 85 G CA 0.113 44.887 45.100 -0.543 0.000 0.632 85 G HN 0.777 nan 8.290 nan 0.000 0.503 86 V N -0.051 119.783 119.914 -0.133 0.000 3.058 86 V HA 0.272 4.396 4.120 0.007 0.000 0.233 86 V C 1.877 177.962 176.094 -0.014 0.000 1.255 86 V CA 0.703 62.971 62.300 -0.053 0.000 1.267 86 V CB 0.501 32.315 31.823 -0.014 0.000 1.049 86 V HN 0.750 nan 8.190 nan 0.000 0.486 87 C N 2.498 121.828 119.300 0.050 0.000 2.634 87 C HA 0.390 4.855 4.460 0.007 0.000 0.418 87 C C 2.198 177.233 174.990 0.075 0.000 1.373 87 C CA 0.333 59.420 59.018 0.115 0.000 1.756 87 C CB 0.022 27.912 27.740 0.250 0.000 2.589 87 C HN 0.679 nan 8.230 nan 0.000 0.602 88 G N 4.177 113.018 108.800 0.068 0.000 2.625 88 G HA2 0.046 4.011 3.960 0.007 0.000 0.214 88 G HA3 0.046 4.011 3.960 0.007 0.000 0.214 88 G C 1.405 176.326 174.900 0.036 0.000 1.132 88 G CA 0.847 45.967 45.100 0.033 0.000 0.782 88 G HN 1.083 nan 8.290 nan 0.000 0.538 89 G N -0.582 108.254 108.800 0.059 0.000 2.403 89 G HA2 -0.021 3.943 3.960 0.007 0.000 0.216 89 G HA3 -0.021 3.943 3.960 0.007 0.000 0.216 89 G C 0.471 175.443 174.900 0.119 0.000 1.154 89 G CA 0.910 46.016 45.100 0.010 0.000 0.784 89 G HN 0.428 nan 8.290 nan 0.000 0.538 90 C N -0.843 118.596 119.300 0.232 0.000 2.493 90 C HA 0.662 5.127 4.460 0.007 0.000 0.326 90 C C 0.678 175.936 174.990 0.447 0.000 1.200 90 C CA -0.505 58.740 59.018 0.378 0.000 1.739 90 C CB 1.910 29.957 27.740 0.512 0.000 2.300 90 C HN 0.439 nan 8.230 nan 0.000 0.500 91 Q N -0.354 119.733 119.800 0.477 0.000 2.245 91 Q HA 0.168 4.513 4.340 0.007 0.000 0.250 91 Q C 0.494 176.897 176.000 0.672 0.000 0.830 91 Q CA 0.544 56.607 55.803 0.433 0.000 0.950 91 Q CB 0.397 29.291 28.738 0.260 0.000 1.124 91 Q HN 0.778 nan 8.270 nan 0.000 0.502 92 Q N -0.794 119.390 119.800 0.640 0.000 2.074 92 Q HA 0.213 4.557 4.340 0.007 0.000 0.265 92 Q C 0.422 176.585 176.000 0.272 0.000 0.855 92 Q CA -0.062 56.026 55.803 0.474 0.000 1.083 92 Q CB 0.720 29.573 28.738 0.192 0.000 1.260 92 Q HN 0.232 nan 8.270 nan 0.000 0.427 93 Q N 0.583 120.350 119.800 -0.055 0.000 2.291 93 Q HA -0.153 4.191 4.340 0.007 0.000 0.206 93 Q C 1.630 177.581 176.000 -0.082 0.000 0.976 93 Q CA 1.309 56.946 55.803 -0.276 0.000 0.875 93 Q CB 0.070 28.263 28.738 -0.909 0.000 0.927 93 Q HN 0.606 nan 8.270 nan 0.000 0.450 94 H N -1.291 117.688 119.070 -0.151 0.000 2.547 94 H HA 0.299 4.859 4.556 0.006 0.000 0.272 94 H C 0.091 175.464 175.328 0.074 0.000 0.989 94 H CA 0.543 56.611 56.048 0.032 0.000 1.214 94 H CB -0.075 29.793 29.762 0.177 0.000 1.389 94 H HN 0.040 nan 8.280 nan 0.000 0.577 95 A N 1.783 124.466 122.820 -0.229 0.000 2.292 95 A HA 0.459 4.783 4.320 0.007 0.000 0.319 95 A C 0.492 178.052 177.584 -0.040 0.000 1.206 95 A CA -0.159 51.766 52.037 -0.187 0.000 0.835 95 A CB 0.661 19.517 19.000 -0.241 0.000 1.164 95 A HN 0.527 nan 8.150 nan 0.000 0.505 96 S N 1.861 117.549 115.700 -0.020 0.000 2.566 96 S HA 0.135 4.609 4.470 0.007 0.000 0.280 96 S C 1.189 175.769 174.600 -0.033 0.000 1.343 96 S CA 0.000 58.206 58.200 0.009 0.000 1.036 96 S CB 0.601 63.807 63.200 0.009 0.000 0.866 96 S HN 0.858 nan 8.310 nan 0.000 0.526 97 V N 1.787 121.677 119.914 -0.039 0.000 2.332 97 V HA -0.187 3.937 4.120 0.007 0.000 0.248 97 V C 2.249 178.287 176.094 -0.093 0.000 1.055 97 V CA 2.397 64.629 62.300 -0.114 0.000 1.038 97 V CB -1.037 30.712 31.823 -0.124 0.000 0.651 97 V HN 0.873 nan 8.190 nan 0.000 0.450 98 D N -0.304 120.063 120.400 -0.055 0.000 2.104 98 D HA -0.165 4.480 4.640 0.007 0.000 0.194 98 D C 1.926 178.195 176.300 -0.052 0.000 0.994 98 D CA 1.278 55.250 54.000 -0.047 0.000 0.830 98 D CB -0.344 40.440 40.800 -0.028 0.000 0.959 98 D HN 0.378 nan 8.370 nan 0.000 0.452 99 L N 0.871 122.063 121.223 -0.051 0.000 2.056 99 L HA -0.156 4.189 4.340 0.007 0.000 0.207 99 L C 2.087 178.916 176.870 -0.068 0.000 1.078 99 L CA 1.660 56.468 54.840 -0.054 0.000 0.749 99 L CB -0.563 41.463 42.059 -0.054 0.000 0.901 99 L HN -0.008 nan 8.230 nan 0.000 0.433 100 Q N -0.919 118.829 119.800 -0.086 0.000 2.050 100 Q HA -0.264 4.080 4.340 0.007 0.000 0.202 100 Q C 2.275 178.221 176.000 -0.089 0.000 0.980 100 Q CA 2.181 57.926 55.803 -0.097 0.000 0.840 100 Q CB -0.246 28.409 28.738 -0.139 0.000 0.898 100 Q HN 0.655 nan 8.270 nan 0.000 0.424 101 Q N 0.077 119.822 119.800 -0.092 0.000 2.079 101 Q HA -0.131 4.214 4.340 0.007 0.000 0.200 101 Q C 2.128 178.094 176.000 -0.058 0.000 0.974 101 Q CA 0.926 56.682 55.803 -0.079 0.000 0.840 101 Q CB -0.063 28.627 28.738 -0.080 0.000 0.898 101 Q HN 0.213 nan 8.270 nan 0.000 0.430 102 R N -0.083 120.386 120.500 -0.052 0.000 2.081 102 R HA -0.091 4.253 4.340 0.007 0.000 0.235 102 R C 2.245 178.519 176.300 -0.043 0.000 1.131 102 R CA 1.542 57.617 56.100 -0.041 0.000 0.960 102 R CB 0.076 30.354 30.300 -0.036 0.000 0.856 102 R HN 0.104 nan 8.270 nan 0.000 0.436 103 S N 0.336 116.005 115.700 -0.051 0.000 2.387 103 S HA -0.050 4.424 4.470 0.007 0.000 0.226 103 S C 1.603 176.165 174.600 -0.063 0.000 1.026 103 S CA 1.013 59.180 58.200 -0.055 0.000 0.972 103 S CB 0.033 63.196 63.200 -0.061 0.000 0.814 103 S HN 0.331 nan 8.310 nan 0.000 0.477 104 K N 1.227 121.589 120.400 -0.064 0.000 2.062 104 K HA 0.077 4.401 4.320 0.007 0.000 0.205 104 K C 2.403 178.978 176.600 -0.042 0.000 1.051 104 K CA 1.219 57.470 56.287 -0.060 0.000 0.941 104 K CB -0.214 32.255 32.500 -0.053 0.000 0.719 104 K HN 0.139 nan 8.250 nan 0.000 0.440 105 S N 1.052 116.731 115.700 -0.036 0.000 2.368 105 S HA -0.145 4.330 4.470 0.007 0.000 0.225 105 S C 2.132 176.719 174.600 -0.021 0.000 1.030 105 S CA 1.253 59.440 58.200 -0.022 0.000 0.999 105 S CB -0.205 62.983 63.200 -0.020 0.000 0.844 105 S HN 0.425 nan 8.310 nan 0.000 0.459 106 A N 1.583 124.386 122.820 -0.029 0.000 1.902 106 A HA 0.108 4.432 4.320 0.007 0.000 0.217 106 A C 2.356 179.924 177.584 -0.027 0.000 1.181 106 A CA 1.705 53.726 52.037 -0.027 0.000 0.623 106 A CB -1.087 17.895 19.000 -0.030 0.000 0.818 106 A HN 0.511 nan 8.150 nan 0.000 0.443 107 A N -0.530 122.268 122.820 -0.037 0.000 1.902 107 A HA -0.031 4.293 4.320 0.007 0.000 0.217 107 A C 2.143 179.712 177.584 -0.025 0.000 1.181 107 A CA 1.743 53.757 52.037 -0.039 0.000 0.623 107 A CB -0.622 18.338 19.000 -0.066 0.000 0.818 107 A HN 0.700 nan 8.150 nan 0.000 0.443 108 L N -0.269 120.942 121.223 -0.021 0.000 2.046 108 L HA -0.028 4.316 4.340 0.007 0.000 0.208 108 L C 2.644 179.513 176.870 -0.002 0.000 1.077 108 L CA 2.188 57.022 54.840 -0.011 0.000 0.747 108 L CB -0.764 41.290 42.059 -0.007 0.000 0.896 108 L HN 0.330 nan 8.230 nan 0.000 0.432 109 A N -0.463 122.358 122.820 0.001 0.000 1.902 109 A HA -0.199 4.125 4.320 0.007 0.000 0.217 109 A C 2.425 180.014 177.584 0.008 0.000 1.181 109 A CA 1.690 53.734 52.037 0.011 0.000 0.623 109 A CB -0.528 18.471 19.000 -0.001 0.000 0.818 109 A HN 0.501 nan 8.150 nan 0.000 0.443 110 R N -1.359 119.140 120.500 -0.002 0.000 2.075 110 R HA -0.006 4.338 4.340 0.007 0.000 0.232 110 R C 0.463 176.765 176.300 0.004 0.000 1.126 110 R CA 0.405 56.504 56.100 -0.002 0.000 0.963 110 R CB -0.543 29.753 30.300 -0.007 0.000 0.858 110 R HN 0.360 nan 8.270 nan 0.000 0.435 114 H N 1.471 120.523 119.070 -0.031 0.000 3.112 114 H HA 0.049 4.609 4.556 0.007 0.000 0.347 114 H C -1.485 173.816 175.328 -0.044 0.000 1.188 114 H CA -0.477 55.545 56.048 -0.043 0.000 1.240 114 H CB 1.759 31.483 29.762 -0.063 0.000 1.920 114 H HN 0.385 nan 8.280 nan 0.000 0.535 115 D N 2.831 123.094 120.400 -0.227 0.000 2.449 115 D HA 0.011 4.655 4.640 0.007 0.000 0.236 115 D C -0.120 176.248 176.300 0.113 0.000 1.149 115 D CA -0.239 53.716 54.000 -0.074 0.000 0.878 115 D CB 1.426 42.128 40.800 -0.164 0.000 1.198 115 D HN 0.060 nan 8.370 nan 0.000 0.446 116 V N 2.722 122.669 119.914 0.055 0.000 2.455 116 V HA -0.026 4.099 4.120 0.007 0.000 0.273 116 V C 1.401 177.529 176.094 0.057 0.000 1.045 116 V CA -0.236 62.102 62.300 0.063 0.000 0.976 116 V CB 0.970 32.813 31.823 0.034 0.000 0.993 116 V HN 0.635 nan 8.190 nan 0.000 0.475 117 S N 3.511 119.256 115.700 0.074 0.000 2.395 117 S HA 0.009 4.483 4.470 0.007 0.000 0.225 117 S C 0.558 175.206 174.600 0.080 0.000 1.027 117 S CA 0.687 58.926 58.200 0.066 0.000 0.965 117 S CB -0.076 63.148 63.200 0.040 0.000 0.812 117 S HN 0.966 nan 8.310 nan 0.000 0.482 118 E N -0.655 119.606 120.200 0.102 0.000 2.416 118 E HA 0.508 4.862 4.350 0.007 0.000 0.280 118 E C -1.981 174.655 176.600 0.059 0.000 1.055 118 E CA -0.906 55.545 56.400 0.085 0.000 0.825 118 E CB 1.351 31.124 29.700 0.122 0.000 1.312 118 E HN -0.107 nan 8.360 nan 0.000 0.452 119 V N 2.203 122.129 119.914 0.021 0.000 2.448 119 V HA 0.395 4.519 4.120 0.007 0.000 0.295 119 V C -0.136 175.940 176.094 -0.031 0.000 1.025 119 V CA -0.640 61.654 62.300 -0.011 0.000 0.859 119 V CB 1.251 33.055 31.823 -0.031 0.000 0.988 119 V HN 0.561 nan 8.190 nan 0.000 0.431 120 I N 4.728 125.266 120.570 -0.053 0.000 2.304 120 I HA 0.743 4.917 4.170 0.007 0.000 0.291 120 I C 0.360 176.410 176.117 -0.112 0.000 1.018 120 I CA 0.011 61.261 61.300 -0.083 0.000 1.260 120 I CB 1.289 39.225 38.000 -0.107 0.000 1.390 120 I HN 0.743 nan 8.210 nan 0.000 0.475 121 A N 4.777 127.529 122.820 -0.114 0.000 2.593 121 A HA 0.766 5.090 4.320 0.007 0.000 0.290 121 A C -1.327 176.179 177.584 -0.130 0.000 1.126 121 A CA -0.408 51.541 52.037 -0.147 0.000 0.695 121 A CB 2.431 21.346 19.000 -0.141 0.000 1.290 121 A HN 0.633 nan 8.150 nan 0.000 0.414 122 D N -1.742 118.567 120.400 -0.152 0.000 3.402 122 D HA 0.467 5.112 4.640 0.007 0.000 0.287 122 D C -0.510 175.732 176.300 -0.096 0.000 1.365 122 D CA 0.638 54.573 54.000 -0.109 0.000 1.012 122 D CB 1.167 41.899 40.800 -0.113 0.000 1.325 122 D HN 1.027 nan 8.370 nan 0.000 0.627 123 V N 0.409 120.296 119.914 -0.045 0.000 2.540 123 V HA 0.280 4.404 4.120 0.007 0.000 0.297 123 V C -1.649 174.429 176.094 -0.028 0.000 1.024 123 V CA -0.589 61.716 62.300 0.007 0.000 1.105 123 V CB 0.636 32.512 31.823 0.089 0.000 0.938 123 V HN 0.513 nan 8.190 nan 0.000 0.482 124 P HA 0.078 nan 4.420 nan 0.000 0.233 124 P C -0.231 176.878 177.300 -0.318 0.000 1.167 124 P CA 0.739 63.661 63.100 -0.298 0.000 0.770 124 P CB 0.118 31.586 31.700 -0.387 0.000 0.837 125 W N -1.354 120.122 121.300 0.293 0.000 2.864 125 W HA 0.532 5.197 4.660 0.008 0.000 0.343 125 W C 0.714 177.320 176.519 0.144 0.000 1.109 125 W CA -0.162 57.314 57.345 0.219 0.000 1.192 125 W CB 1.312 30.829 29.460 0.096 0.000 1.426 125 W HN -0.052 nan 8.180 nan 0.000 0.529 126 G N 1.227 110.191 108.800 0.274 0.000 2.160 126 G HA2 -0.426 3.538 3.960 0.007 0.000 0.251 126 G HA3 -0.426 3.538 3.960 0.007 0.000 0.251 126 G C 0.052 175.000 174.900 0.081 0.000 1.008 126 G CA 0.827 46.002 45.100 0.124 0.000 0.724 126 G HN 0.947 nan 8.290 nan 0.000 0.514 127 Y N -0.903 119.431 120.300 0.057 0.000 2.497 127 Y HA 0.508 5.059 4.550 0.003 0.000 0.265 127 Y C 1.329 177.206 175.900 -0.039 0.000 1.111 127 Y CA -0.603 57.486 58.100 -0.017 0.000 1.288 127 Y CB 0.234 38.654 38.460 -0.067 0.000 1.082 127 Y HN 0.239 nan 8.280 nan 0.000 0.536 128 R N 2.409 122.726 120.500 -0.304 0.000 2.234 128 R HA 0.223 4.567 4.340 0.007 0.000 0.324 128 R C 0.631 176.882 176.300 -0.083 0.000 1.054 128 R CA -0.214 55.793 56.100 -0.156 0.000 0.912 128 R CB 0.797 30.970 30.300 -0.211 0.000 1.030 128 R HN 0.473 nan 8.270 nan 0.000 0.455 129 R N 1.907 122.362 120.500 -0.076 0.000 2.317 129 R HA 0.054 4.398 4.340 0.007 0.000 0.208 129 R C -0.026 176.224 176.300 -0.084 0.000 0.914 129 R CA 0.198 56.242 56.100 -0.093 0.000 1.060 129 R CB 0.229 30.436 30.300 -0.154 0.000 1.015 129 R HN 0.499 nan 8.270 nan 0.000 0.498 130 R N -0.720 119.744 120.500 -0.061 0.000 2.643 130 R HA 0.783 5.127 4.340 0.007 0.000 0.269 130 R C -1.820 174.494 176.300 0.024 0.000 1.037 130 R CA -0.842 55.242 56.100 -0.025 0.000 0.894 130 R CB 1.655 31.917 30.300 -0.063 0.000 1.238 130 R HN 0.043 nan 8.270 nan 0.000 0.459 131 A N 1.915 124.781 122.820 0.077 0.000 2.486 131 A HA 0.664 4.989 4.320 0.007 0.000 0.300 131 A C -1.289 176.408 177.584 0.188 0.000 1.048 131 A CA -0.963 51.167 52.037 0.156 0.000 0.696 131 A CB 2.029 21.193 19.000 0.273 0.000 1.278 131 A HN 0.775 nan 8.150 nan 0.000 0.405 132 R N 2.016 122.659 120.500 0.238 0.000 2.246 132 R HA 0.606 4.950 4.340 0.007 0.000 0.332 132 R C -1.594 174.928 176.300 0.370 0.000 0.974 132 R CA -0.364 55.883 56.100 0.245 0.000 0.837 132 R CB 0.355 30.800 30.300 0.242 0.000 1.145 132 R HN 0.667 nan 8.270 nan 0.000 0.467 133 L N 3.762 125.127 121.223 0.237 0.000 2.257 133 L HA 0.334 4.678 4.340 0.007 0.000 0.290 133 L C 0.001 176.950 176.870 0.131 0.000 1.044 133 L CA -0.398 54.510 54.840 0.113 0.000 0.810 133 L CB 1.782 43.814 42.059 -0.044 0.000 1.193 133 L HN 0.679 nan 8.230 nan 0.000 0.425 134 S N 4.251 120.034 115.700 0.138 0.000 2.576 134 S HA 0.546 5.020 4.470 0.007 0.000 0.276 134 S C -0.178 174.463 174.600 0.068 0.000 1.339 134 S CA -0.427 57.851 58.200 0.129 0.000 1.039 134 S CB 0.766 64.030 63.200 0.106 0.000 0.902 134 S HN 0.344 nan 8.310 nan 0.000 0.516 135 L N 2.637 123.911 121.223 0.084 0.000 2.386 135 L HA 0.585 4.929 4.340 0.007 0.000 0.271 135 L C -0.050 176.858 176.870 0.065 0.000 0.993 135 L CA -0.410 54.466 54.840 0.060 0.000 0.819 135 L CB 1.609 43.711 42.059 0.071 0.000 1.294 135 L HN 0.651 nan 8.230 nan 0.000 0.414 136 N N 1.323 120.057 118.700 0.056 0.000 2.324 136 N HA 0.257 5.001 4.740 0.007 0.000 0.285 136 N C -1.994 173.573 175.510 0.096 0.000 1.076 136 N CA -0.513 52.578 53.050 0.069 0.000 0.864 136 N CB 2.466 40.972 38.487 0.032 0.000 1.632 136 N HN 0.491 nan 8.380 nan 0.000 0.478 137 Y N 3.956 124.244 120.300 -0.021 0.000 2.342 137 Y HA 0.486 5.039 4.550 0.005 0.000 0.334 137 Y C -0.988 174.893 175.900 -0.030 0.000 1.067 137 Y CA -0.483 57.595 58.100 -0.036 0.000 1.128 137 Y CB 0.889 39.317 38.460 -0.054 0.000 1.200 137 Y HN 0.399 nan 8.280 nan 0.000 0.464 138 L N 9.541 130.328 121.223 -0.726 0.000 2.301 138 L HA 0.350 4.694 4.340 0.007 0.000 0.278 138 L C -1.739 174.605 176.870 -0.876 0.000 1.022 138 L CA -1.745 52.757 54.840 -0.565 0.000 0.854 138 L CB 1.498 43.373 42.059 -0.307 0.000 1.226 138 L HN 0.579 nan 8.230 nan 0.000 0.429 139 P HA -0.110 nan 4.420 nan 0.000 0.218 139 P C 1.215 178.396 177.300 -0.199 0.000 1.152 139 P CA 1.072 63.935 63.100 -0.395 0.000 0.826 139 P CB 0.433 32.124 31.700 -0.014 0.000 0.790 140 K N -0.215 120.089 120.400 -0.160 0.000 2.152 140 K HA -0.083 4.241 4.320 0.007 0.000 0.206 140 K C 1.660 178.200 176.600 -0.100 0.000 1.048 140 K CA 2.119 58.347 56.287 -0.098 0.000 0.933 140 K CB -0.395 32.058 32.500 -0.079 0.000 0.721 140 K HN 0.314 nan 8.250 nan 0.000 0.447 141 T N -3.278 111.187 114.554 -0.147 0.000 3.040 141 T HA 0.117 4.471 4.350 0.007 0.000 0.266 141 T C -0.161 174.468 174.700 -0.119 0.000 1.005 141 T CA -0.459 61.573 62.100 -0.113 0.000 0.906 141 T CB 0.273 69.080 68.868 -0.101 0.000 1.082 141 T HN 0.117 nan 8.240 nan 0.000 0.531 142 Q N 1.067 120.752 119.800 -0.192 0.000 2.451 142 Q HA -0.198 4.146 4.340 0.007 0.000 0.305 142 Q C -0.515 175.445 176.000 -0.066 0.000 1.345 142 Q CA 0.605 56.342 55.803 -0.110 0.000 0.854 142 Q CB -2.043 26.721 28.738 0.044 0.000 1.162 142 Q HN 0.709 nan 8.270 nan 0.000 0.440 143 Q N 0.037 119.731 119.800 -0.176 0.000 2.306 143 Q HA 0.668 5.013 4.340 0.007 0.000 0.265 143 Q C -0.972 174.996 176.000 -0.052 0.000 1.022 143 Q CA -1.153 54.599 55.803 -0.085 0.000 0.853 143 Q CB 1.580 30.263 28.738 -0.093 0.000 1.327 143 Q HN 0.263 nan 8.270 nan 0.000 0.449 144 L N 2.091 123.325 121.223 0.017 0.000 2.272 144 L HA 0.269 4.613 4.340 0.007 0.000 0.289 144 L C -0.556 176.307 176.870 -0.012 0.000 1.032 144 L CA 0.320 55.184 54.840 0.040 0.000 0.810 144 L CB 1.105 43.190 42.059 0.043 0.000 1.205 144 L HN 0.600 nan 8.230 nan 0.000 0.422 148 F N 0.764 120.726 119.950 0.019 0.000 2.598 148 F HA 0.722 5.255 4.527 0.010 0.000 0.327 148 F C 0.861 176.668 175.800 0.011 0.000 1.057 148 F CA -1.073 56.945 58.000 0.030 0.000 0.957 148 F CB 1.434 40.464 39.000 0.050 0.000 1.278 148 F HN 0.246 nan 8.300 nan 0.000 0.484 149 R N 0.999 121.631 120.500 0.221 0.000 2.594 149 R HA 0.279 4.623 4.340 0.007 0.000 0.272 149 R C -0.165 176.187 176.300 0.086 0.000 1.074 149 R CA -0.632 55.531 56.100 0.106 0.000 1.105 149 R CB 0.705 31.045 30.300 0.067 0.000 1.008 149 R HN 0.526 nan 8.270 nan 0.000 0.472 150 K N 0.862 121.288 120.400 0.043 0.000 2.168 150 K HA 0.194 4.518 4.320 0.007 0.000 0.258 150 K C -0.138 176.464 176.600 0.005 0.000 1.010 150 K CA -0.353 55.945 56.287 0.019 0.000 0.929 150 K CB 1.012 33.511 32.500 -0.002 0.000 0.998 150 K HN 0.632 nan 8.250 nan 0.000 0.479 151 A N 1.048 123.861 122.820 -0.012 0.000 2.515 151 A HA 0.309 4.633 4.320 0.007 0.000 0.263 151 A C 0.934 178.502 177.584 -0.028 0.000 1.096 151 A CA 0.737 52.758 52.037 -0.026 0.000 0.769 151 A CB -0.927 18.047 19.000 -0.044 0.000 1.040 151 A HN 0.896 nan 8.150 nan 0.000 0.505 152 G N 1.203 109.984 108.800 -0.031 0.000 2.246 152 G HA2 0.010 3.975 3.960 0.007 0.000 0.273 152 G HA3 0.010 3.975 3.960 0.007 0.000 0.273 152 G C 0.183 175.068 174.900 -0.024 0.000 1.055 152 G CA 0.884 45.964 45.100 -0.032 0.000 0.851 152 G HN 2.046 nan 8.290 nan 0.000 0.500 153 S N -1.917 113.773 115.700 -0.017 0.000 2.565 153 S HA 0.703 5.178 4.470 0.007 0.000 0.269 153 S C 1.043 175.640 174.600 -0.005 0.000 1.153 153 S CA 0.794 58.987 58.200 -0.012 0.000 0.835 153 S CB 1.003 64.195 63.200 -0.013 0.000 1.122 153 S HN 1.411 nan 8.310 nan 0.000 0.462 154 S N 1.068 116.765 115.700 -0.004 0.000 2.548 154 S HA 0.221 4.695 4.470 0.007 0.000 0.215 154 S C 0.081 174.685 174.600 0.007 0.000 0.976 154 S CA -0.098 58.104 58.200 0.003 0.000 0.908 154 S CB -0.400 62.801 63.200 0.001 0.000 0.781 154 S HN 0.684 nan 8.310 nan 0.000 0.519 155 D N 2.025 122.425 120.400 0.000 0.000 2.423 155 D HA 0.259 4.903 4.640 0.007 0.000 0.238 155 D C -0.089 176.212 176.300 0.002 0.000 1.142 155 D CA 0.277 54.274 54.000 -0.005 0.000 0.884 155 D CB 0.548 41.340 40.800 -0.014 0.000 1.199 155 D HN 0.308 nan 8.370 nan 0.000 0.438 156 I N 1.501 122.067 120.570 -0.006 0.000 2.353 156 I HA 0.081 4.255 4.170 0.007 0.000 0.293 156 I C -0.022 176.072 176.117 -0.039 0.000 0.992 156 I CA -0.888 60.408 61.300 -0.008 0.000 1.268 156 I CB 1.420 39.411 38.000 -0.015 0.000 1.387 156 I HN -0.059 nan 8.210 nan 0.000 0.478 157 V N 5.428 125.316 119.914 -0.043 0.000 2.455 157 V HA 0.053 4.177 4.120 0.007 0.000 0.273 157 V C 0.273 176.254 176.094 -0.188 0.000 1.045 157 V CA -0.566 61.666 62.300 -0.114 0.000 0.976 157 V CB 0.538 32.300 31.823 -0.101 0.000 0.993 157 V HN 0.598 nan 8.190 nan 0.000 0.475 158 D N 3.784 124.057 120.400 -0.213 0.000 2.412 158 D HA 0.088 4.733 4.640 0.007 0.000 0.257 158 D C -0.153 175.956 176.300 -0.317 0.000 1.217 158 D CA 0.306 54.177 54.000 -0.215 0.000 0.897 158 D CB 1.512 42.223 40.800 -0.149 0.000 1.132 158 D HN 0.299 nan 8.370 nan 0.000 0.493 159 V N 5.453 125.222 119.914 -0.242 0.000 2.385 159 V HA 0.064 4.189 4.120 0.007 0.000 0.269 159 V C 1.307 177.447 176.094 0.078 0.000 1.043 159 V CA -0.179 62.069 62.300 -0.087 0.000 0.906 159 V CB 1.506 33.169 31.823 -0.267 0.000 0.995 159 V HN 0.388 nan 8.190 nan 0.000 0.467 160 K N 2.931 123.540 120.400 0.348 0.000 2.350 160 K HA 0.303 4.628 4.320 0.007 0.000 0.196 160 K C 0.410 177.052 176.600 0.070 0.000 1.084 160 K CA 0.368 56.747 56.287 0.153 0.000 0.967 160 K CB 0.770 33.363 32.500 0.156 0.000 0.950 160 K HN 0.619 nan 8.250 nan 0.000 0.512 161 Q N -0.827 118.994 119.800 0.036 0.000 2.423 161 Q HA 0.403 4.747 4.340 0.007 0.000 0.278 161 Q C -1.439 174.572 176.000 0.018 0.000 1.097 161 Q CA -0.555 55.222 55.803 -0.043 0.000 0.809 161 Q CB 3.217 31.868 28.738 -0.145 0.000 1.391 161 Q HN 0.126 nan 8.270 nan 0.000 0.428 162 C N 3.034 122.365 119.300 0.052 0.000 3.354 162 C HA 0.351 4.815 4.460 0.007 0.000 0.314 162 C C -1.952 173.096 174.990 0.095 0.000 1.019 162 C CA -1.240 57.859 59.018 0.135 0.000 1.293 162 C CB 0.626 28.519 27.740 0.255 0.000 1.747 162 C HN 0.697 nan 8.230 nan 0.000 0.580 163 P HA -0.092 nan 4.420 nan 0.000 0.228 163 P C 1.283 178.736 177.300 0.256 0.000 1.151 163 P CA 1.236 64.385 63.100 0.081 0.000 0.770 163 P CB -0.159 31.466 31.700 -0.125 0.000 0.786 164 I N -4.171 116.524 120.570 0.208 0.000 2.761 164 I HA 0.015 4.189 4.170 0.007 0.000 0.261 164 I C 0.881 176.858 176.117 -0.234 0.000 1.198 164 I CA 0.265 61.536 61.300 -0.048 0.000 1.482 164 I CB -0.550 37.329 38.000 -0.202 0.000 1.100 164 I HN -0.218 nan 8.210 nan 0.000 0.445 165 L N 2.597 123.786 121.223 -0.056 0.000 2.397 165 L HA 0.479 4.823 4.340 0.007 0.000 0.271 165 L C 0.789 177.646 176.870 -0.022 0.000 1.148 165 L CA -0.274 54.541 54.840 -0.042 0.000 0.825 165 L CB 0.691 42.782 42.059 0.054 0.000 1.117 165 L HN 0.281 nan 8.230 nan 0.000 0.456 166 A N 6.360 129.164 122.820 -0.027 0.000 2.587 166 A HA 0.180 4.504 4.320 0.007 0.000 0.235 166 A C -1.557 176.035 177.584 0.014 0.000 1.044 166 A CA -0.399 51.637 52.037 -0.002 0.000 0.754 166 A CB -0.728 18.266 19.000 -0.010 0.000 0.968 166 A HN 0.801 nan 8.150 nan 0.000 0.509 167 P HA -0.197 nan 4.420 nan 0.000 0.216 167 P C 1.326 178.634 177.300 0.013 0.000 1.153 167 P CA 1.617 64.728 63.100 0.018 0.000 0.858 167 P CB 0.062 31.773 31.700 0.018 0.000 0.789 168 Q N -0.933 118.873 119.800 0.009 0.000 2.135 168 Q HA -0.146 4.198 4.340 0.007 0.000 0.204 168 Q C 2.140 178.150 176.000 0.016 0.000 0.981 168 Q CA 1.228 57.035 55.803 0.006 0.000 0.856 168 Q CB -0.606 28.131 28.738 -0.001 0.000 0.902 168 Q HN 0.297 nan 8.270 nan 0.000 0.425 169 L N -0.091 121.145 121.223 0.021 0.000 2.095 169 L HA -0.115 4.229 4.340 0.007 0.000 0.204 169 L C 2.438 179.335 176.870 0.044 0.000 1.080 169 L CA 0.935 55.797 54.840 0.036 0.000 0.759 169 L CB -0.452 41.630 42.059 0.038 0.000 0.914 169 L HN 0.292 nan 8.230 nan 0.000 0.439 170 E N 0.862 121.085 120.200 0.037 0.000 2.085 170 E HA -0.258 4.097 4.350 0.007 0.000 0.194 170 E C 2.198 178.815 176.600 0.029 0.000 0.994 170 E CA 1.312 57.733 56.400 0.037 0.000 0.801 170 E CB 0.023 29.741 29.700 0.029 0.000 0.743 170 E HN 0.440 nan 8.360 nan 0.000 0.453 171 A N 0.757 123.591 122.820 0.023 0.000 2.024 171 A HA -0.146 4.178 4.320 0.007 0.000 0.220 171 A C 2.112 179.720 177.584 0.039 0.000 1.164 171 A CA 1.002 53.053 52.037 0.022 0.000 0.643 171 A CB -0.484 18.523 19.000 0.013 0.000 0.806 171 A HN 0.315 nan 8.150 nan 0.000 0.451 172 L N -0.721 120.534 121.223 0.053 0.000 2.313 172 L HA -0.061 4.283 4.340 0.007 0.000 0.214 172 L C 2.270 179.194 176.870 0.091 0.000 1.119 172 L CA 0.191 55.086 54.840 0.091 0.000 0.809 172 L CB -0.380 41.743 42.059 0.107 0.000 0.933 172 L HN 0.383 nan 8.230 nan 0.000 0.449 173 L N 0.471 121.726 121.223 0.053 0.000 1.978 173 L HA -0.201 4.144 4.340 0.007 0.000 0.218 173 L C -0.111 176.769 176.870 0.016 0.000 1.075 173 L CA 1.723 56.579 54.840 0.027 0.000 0.767 173 L CB -2.049 40.018 42.059 0.014 0.000 0.890 173 L HN 0.265 nan 8.230 nan 0.000 0.434 174 P HA -0.150 nan 4.420 nan 0.000 0.220 174 P C 1.091 178.400 177.300 0.015 0.000 1.148 174 P CA 1.454 64.560 63.100 0.011 0.000 0.803 174 P CB 0.029 31.738 31.700 0.016 0.000 0.782 175 K N -0.534 119.905 120.400 0.066 0.000 2.137 175 K HA 0.021 4.345 4.320 0.007 0.000 0.202 175 K C 2.121 178.693 176.600 -0.047 0.000 1.052 175 K CA 0.633 56.997 56.287 0.129 0.000 0.961 175 K CB -0.607 32.080 32.500 0.312 0.000 0.741 175 K HN -0.072 nan 8.250 nan 0.000 0.452 176 V N 1.821 121.719 119.914 -0.027 0.000 2.343 176 V HA -0.248 3.877 4.120 0.007 0.000 0.247 176 V C 2.450 178.401 176.094 -0.238 0.000 1.051 176 V CA 1.740 63.901 62.300 -0.232 0.000 1.036 176 V CB -0.470 31.331 31.823 -0.038 0.000 0.654 176 V HN 0.308 nan 8.190 nan 0.000 0.451 177 R N 0.373 120.798 120.500 -0.125 0.000 2.083 177 R HA -0.189 4.156 4.340 0.007 0.000 0.237 177 R C 2.261 178.490 176.300 -0.120 0.000 1.137 177 R CA 1.899 57.937 56.100 -0.103 0.000 0.951 177 R CB -0.481 29.782 30.300 -0.063 0.000 0.851 177 R HN 0.472 nan 8.270 nan 0.000 0.434 178 A N 0.257 123.008 122.820 -0.116 0.000 1.969 178 A HA -0.178 4.147 4.320 0.007 0.000 0.218 178 A C 2.506 179.994 177.584 -0.160 0.000 1.169 178 A CA 1.404 53.379 52.037 -0.103 0.000 0.635 178 A CB -1.071 17.894 19.000 -0.058 0.000 0.810 178 A HN 0.680 nan 8.150 nan 0.000 0.445 179 C N -0.327 118.789 119.300 -0.307 0.000 2.462 179 C HA -0.001 4.463 4.460 0.007 0.000 0.278 179 C C 2.581 177.417 174.990 -0.258 0.000 1.253 179 C CA 1.158 59.943 59.018 -0.388 0.000 1.713 179 C CB -1.501 25.674 27.740 -0.943 0.000 2.049 179 C HN 0.578 nan 8.230 nan 0.000 0.477 180 L N 1.104 122.182 121.223 -0.242 0.000 2.131 180 L HA 0.006 4.350 4.340 0.007 0.000 0.210 180 L C 2.815 179.627 176.870 -0.097 0.000 1.092 180 L CA 1.675 56.429 54.840 -0.144 0.000 0.759 180 L CB -1.183 40.810 42.059 -0.111 0.000 0.903 180 L HN 0.610 nan 8.230 nan 0.000 0.435 181 G N -0.563 108.183 108.800 -0.090 0.000 2.534 181 G HA2 -0.200 3.764 3.960 0.007 0.000 0.217 181 G HA3 -0.200 3.764 3.960 0.007 0.000 0.217 181 G C 1.678 176.547 174.900 -0.052 0.000 1.128 181 G CA 0.847 45.914 45.100 -0.054 0.000 0.784 181 G HN 0.505 nan 8.290 nan 0.000 0.542 182 S N -0.410 115.248 115.700 -0.070 0.000 2.558 182 S HA 0.317 4.792 4.470 0.007 0.000 0.217 182 S C 0.857 175.425 174.600 -0.055 0.000 0.975 182 S CA -0.488 57.679 58.200 -0.056 0.000 0.912 182 S CB -0.127 63.039 63.200 -0.056 0.000 0.776 182 S HN 0.148 nan 8.310 nan 0.000 0.526 183 L N 1.943 123.126 121.223 -0.066 0.000 2.371 183 L HA 0.284 4.628 4.340 0.007 0.000 0.272 183 L C 1.620 178.448 176.870 -0.070 0.000 1.124 183 L CA -0.513 54.287 54.840 -0.067 0.000 0.816 183 L CB 0.695 42.708 42.059 -0.078 0.000 1.129 183 L HN 0.214 nan 8.230 nan 0.000 0.448 184 Q N 2.132 121.896 119.800 -0.060 0.000 2.135 184 Q HA -0.118 4.227 4.340 0.007 0.000 0.204 184 Q C 0.872 176.811 176.000 -0.101 0.000 0.981 184 Q CA 1.476 57.239 55.803 -0.066 0.000 0.856 184 Q CB -0.116 28.599 28.738 -0.040 0.000 0.902 184 Q HN 0.819 nan 8.270 nan 0.000 0.425 188 H N 1.436 120.442 119.070 -0.106 0.000 2.549 188 H HA 0.435 4.995 4.556 0.006 0.000 0.253 188 H C -0.506 174.849 175.328 0.044 0.000 1.170 188 H CA -0.265 55.771 56.048 -0.021 0.000 0.943 188 H CB 0.547 30.299 29.762 -0.016 0.000 1.849 188 H HN 0.052 nan 8.280 nan 0.000 0.603 189 L N -0.425 120.866 121.223 0.114 0.000 2.325 189 L HA 0.458 4.802 4.340 0.007 0.000 0.278 189 L C 1.339 178.292 176.870 0.139 0.000 1.023 189 L CA -0.463 54.456 54.840 0.133 0.000 0.811 189 L CB 2.143 44.248 42.059 0.077 0.000 1.249 189 L HN 0.250 nan 8.230 nan 0.000 0.431 190 G N 0.563 109.471 108.800 0.180 0.000 2.688 190 G HA2 0.130 4.094 3.960 0.007 0.000 0.214 190 G HA3 0.130 4.094 3.960 0.007 0.000 0.214 190 G C 0.110 175.171 174.900 0.268 0.000 1.211 190 G CA 0.353 45.568 45.100 0.191 0.000 0.853 190 G HN 0.690 nan 8.290 nan 0.000 0.591 191 H N -2.087 117.023 119.070 0.067 0.000 2.981 191 H HA 0.638 5.198 4.556 0.007 0.000 0.327 191 H C -2.086 173.286 175.328 0.073 0.000 1.342 191 H CA -1.277 54.810 56.048 0.065 0.000 1.123 191 H CB 1.210 31.014 29.762 0.070 0.000 1.851 191 H HN 0.418 nan 8.280 nan 0.000 0.531 192 V N 0.885 120.761 119.914 -0.062 0.000 2.623 192 V HA 0.445 4.569 4.120 0.007 0.000 0.304 192 V C -1.172 174.881 176.094 -0.069 0.000 1.054 192 V CA -0.394 61.854 62.300 -0.087 0.000 0.882 192 V CB 1.752 33.569 31.823 -0.010 0.000 1.002 192 V HN 0.862 nan 8.190 nan 0.000 0.424 193 E N 5.882 126.033 120.200 -0.081 0.000 2.166 193 E HA 0.627 4.981 4.350 0.007 0.000 0.275 193 E C -1.141 175.482 176.600 0.039 0.000 0.941 193 E CA -0.300 56.095 56.400 -0.007 0.000 0.784 193 E CB 2.071 31.757 29.700 -0.022 0.000 1.115 193 E HN 0.648 nan 8.360 nan 0.000 0.399 194 L N 3.139 124.398 121.223 0.061 0.000 2.322 194 L HA 0.625 4.969 4.340 0.007 0.000 0.281 194 L C -0.965 175.937 176.870 0.054 0.000 1.014 194 L CA -1.096 53.786 54.840 0.069 0.000 0.815 194 L CB 1.400 43.504 42.059 0.075 0.000 1.247 194 L HN 0.269 nan 8.230 nan 0.000 0.421 195 V N 2.317 122.264 119.914 0.055 0.000 2.577 195 V HA 0.329 4.453 4.120 0.007 0.000 0.303 195 V C -0.598 175.516 176.094 0.033 0.000 1.042 195 V CA -0.665 61.656 62.300 0.035 0.000 0.872 195 V CB 2.010 33.876 31.823 0.072 0.000 0.998 195 V HN 0.669 nan 8.190 nan 0.000 0.423 196 Q N 3.058 122.853 119.800 -0.009 0.000 2.314 196 Q HA 0.793 5.137 4.340 0.007 0.000 0.259 196 Q C -0.521 175.455 176.000 -0.040 0.000 0.951 196 Q CA 0.033 55.825 55.803 -0.018 0.000 0.909 196 Q CB 1.651 30.371 28.738 -0.029 0.000 1.236 196 Q HN 1.043 nan 8.270 nan 0.000 0.444 197 A N 2.538 125.350 122.820 -0.012 0.000 2.479 197 A HA 0.554 4.878 4.320 0.007 0.000 0.296 197 A C 0.671 178.201 177.584 -0.090 0.000 1.121 197 A CA -0.339 51.702 52.037 0.005 0.000 0.743 197 A CB 1.098 20.206 19.000 0.181 0.000 1.323 197 A HN 0.776 nan 8.150 nan 0.000 0.415 198 T N 0.953 115.454 114.554 -0.090 0.000 2.737 198 T HA -0.202 4.152 4.350 0.007 0.000 0.269 198 T C 2.060 176.422 174.700 -0.563 0.000 1.040 198 T CA 2.496 64.468 62.100 -0.214 0.000 1.142 198 T CB -0.400 68.442 68.868 -0.043 0.000 0.861 198 T HN 1.050 nan 8.240 nan 0.000 0.456 199 S N 0.369 115.494 115.700 -0.958 0.000 2.428 199 S HA 0.384 4.858 4.470 0.007 0.000 0.230 199 S C 1.120 175.454 174.600 -0.443 0.000 1.014 199 S CA 0.376 57.891 58.200 -1.142 0.000 0.957 199 S CB -0.071 62.243 63.200 -1.476 0.000 0.784 199 S HN 0.846 nan 8.310 nan 0.000 0.499 200 G N -0.661 107.973 108.800 -0.275 0.000 2.320 200 G HA2 0.391 4.355 3.960 0.007 0.000 0.297 200 G HA3 0.391 4.355 3.960 0.007 0.000 0.297 200 G C -1.405 173.456 174.900 -0.065 0.000 1.344 200 G CA -0.603 44.417 45.100 -0.133 0.000 0.851 200 G HN 0.141 nan 8.290 nan 0.000 0.567 201 T N 1.039 115.574 114.554 -0.031 0.000 2.837 201 T HA 0.685 5.039 4.350 0.007 0.000 0.285 201 T C 0.429 175.153 174.700 0.041 0.000 0.984 201 T CA -0.157 61.946 62.100 0.006 0.000 1.049 201 T CB 0.949 69.817 68.868 -0.001 0.000 0.947 201 T HN 0.509 nan 8.240 nan 0.000 0.472 205 L N 6.153 127.424 121.223 0.081 0.000 2.265 205 L HA 0.640 4.984 4.340 0.007 0.000 0.289 205 L C 0.089 177.040 176.870 0.135 0.000 1.033 205 L CA -0.199 54.688 54.840 0.078 0.000 0.814 205 L CB 0.838 42.959 42.059 0.103 0.000 1.203 205 L HN 0.577 nan 8.230 nan 0.000 0.423 206 R N 5.107 125.645 120.500 0.063 0.000 2.234 206 R HA 0.438 4.782 4.340 0.007 0.000 0.324 206 R C -0.781 175.637 176.300 0.196 0.000 1.054 206 R CA -0.027 56.155 56.100 0.137 0.000 0.912 206 R CB 0.142 30.640 30.300 0.330 0.000 1.030 206 R HN 0.819 nan 8.270 nan 0.000 0.455 207 H N 0.747 119.877 119.070 0.100 0.000 2.907 207 H HA 0.352 4.913 4.556 0.009 0.000 0.361 207 H C -0.536 174.834 175.328 0.071 0.000 1.194 207 H CA -0.347 55.752 56.048 0.085 0.000 1.152 207 H CB 1.613 31.413 29.762 0.063 0.000 1.867 207 H HN 0.594 nan 8.280 nan 0.000 0.561 208 T N -1.924 112.711 114.554 0.136 0.000 2.990 208 T HA 0.547 4.902 4.350 0.007 0.000 0.249 208 T C 0.693 175.407 174.700 0.024 0.000 1.039 208 T CA 0.406 62.533 62.100 0.045 0.000 1.036 208 T CB 0.082 68.992 68.868 0.070 0.000 0.994 208 T HN 0.812 nan 8.240 nan 0.000 0.489 209 A N 1.501 124.385 122.820 0.107 0.000 2.532 209 A HA 0.804 5.128 4.320 0.007 0.000 0.290 209 A C -3.023 174.667 177.584 0.178 0.000 1.143 209 A CA -2.084 49.985 52.037 0.054 0.000 0.728 209 A CB 0.519 19.459 19.000 -0.100 0.000 1.317 209 A HN 0.133 nan 8.150 nan 0.000 0.414 210 P HA 0.204 nan 4.420 nan 0.000 0.264 210 P C -0.778 176.552 177.300 0.050 0.000 1.183 210 P CA 0.372 63.536 63.100 0.106 0.000 0.763 210 P CB 0.160 31.889 31.700 0.048 0.000 0.807 211 L N 2.145 123.356 121.223 -0.020 0.000 2.349 211 L HA 0.180 4.524 4.340 0.007 0.000 0.275 211 L C 1.258 178.101 176.870 -0.046 0.000 1.115 211 L CA -0.383 54.395 54.840 -0.103 0.000 0.820 211 L CB 0.578 42.484 42.059 -0.255 0.000 1.135 211 L HN 0.482 nan 8.230 nan 0.000 0.445 212 S N 0.765 116.444 115.700 -0.036 0.000 2.596 212 S HA 0.053 4.527 4.470 0.007 0.000 0.260 212 S C 1.180 175.763 174.600 -0.027 0.000 1.336 212 S CA -0.209 57.978 58.200 -0.022 0.000 0.993 212 S CB 1.245 64.435 63.200 -0.017 0.000 0.923 212 S HN 0.716 nan 8.310 nan 0.000 0.567 213 S N 1.144 116.834 115.700 -0.018 0.000 2.406 213 S HA -0.006 4.469 4.470 0.007 0.000 0.228 213 S C 2.036 176.626 174.600 -0.016 0.000 1.020 213 S CA 0.500 58.690 58.200 -0.016 0.000 0.965 213 S CB -1.203 61.990 63.200 -0.011 0.000 0.798 213 S HN 1.065 nan 8.310 nan 0.000 0.488 214 A N 2.654 125.464 122.820 -0.015 0.000 1.877 214 A HA -0.144 4.180 4.320 0.007 0.000 0.216 214 A C 1.961 179.533 177.584 -0.020 0.000 1.186 214 A CA 1.793 53.821 52.037 -0.014 0.000 0.620 214 A CB -0.916 18.076 19.000 -0.013 0.000 0.822 214 A HN 0.431 nan 8.150 nan 0.000 0.443 215 D N -0.881 119.500 120.400 -0.032 0.000 2.097 215 D HA -0.146 4.498 4.640 0.007 0.000 0.195 215 D C 2.080 178.352 176.300 -0.046 0.000 0.989 215 D CA 1.327 55.300 54.000 -0.046 0.000 0.827 215 D CB -0.374 40.387 40.800 -0.065 0.000 0.966 215 D HN 0.498 nan 8.370 nan 0.000 0.456 216 R N 0.823 121.294 120.500 -0.049 0.000 2.103 216 R HA -0.159 4.186 4.340 0.007 0.000 0.242 216 R C 2.065 178.356 176.300 -0.015 0.000 1.142 216 R CA 1.397 57.474 56.100 -0.040 0.000 0.960 216 R CB -0.024 30.254 30.300 -0.036 0.000 0.858 216 R HN 0.159 nan 8.270 nan 0.000 0.439 217 E N 0.635 120.830 120.200 -0.009 0.000 2.072 217 E HA -0.206 4.149 4.350 0.007 0.000 0.191 217 E C 1.691 178.306 176.600 0.025 0.000 0.985 217 E CA 1.302 57.706 56.400 0.006 0.000 0.801 217 E CB 0.113 29.816 29.700 0.004 0.000 0.750 217 E HN 0.347 nan 8.360 nan 0.000 0.452 218 K N 0.241 120.651 120.400 0.017 0.000 2.032 218 K HA -0.156 4.169 4.320 0.007 0.000 0.209 218 K C 2.370 179.016 176.600 0.076 0.000 1.048 218 K CA 1.294 57.602 56.287 0.034 0.000 0.927 218 K CB -0.183 32.316 32.500 -0.001 0.000 0.712 218 K HN 0.161 nan 8.250 nan 0.000 0.441 219 L N 0.938 122.191 121.223 0.050 0.000 2.093 219 L HA -0.184 4.161 4.340 0.007 0.000 0.208 219 L C 2.300 179.250 176.870 0.133 0.000 1.085 219 L CA 1.285 56.181 54.840 0.094 0.000 0.755 219 L CB -0.290 41.788 42.059 0.031 0.000 0.904 219 L HN 0.224 nan 8.230 nan 0.000 0.435 220 E N -0.120 120.123 120.200 0.071 0.000 2.031 220 E HA -0.229 4.125 4.350 0.007 0.000 0.193 220 E C 2.364 179.023 176.600 0.097 0.000 0.994 220 E CA 1.181 57.612 56.400 0.051 0.000 0.800 220 E CB -0.048 29.660 29.700 0.013 0.000 0.752 220 E HN 0.365 nan 8.360 nan 0.000 0.447 221 R N -0.204 120.360 120.500 0.107 0.000 2.096 221 R HA -0.141 4.204 4.340 0.007 0.000 0.235 221 R C 2.257 178.625 176.300 0.114 0.000 1.127 221 R CA 1.295 57.464 56.100 0.116 0.000 0.968 221 R CB -0.341 30.013 30.300 0.089 0.000 0.861 221 R HN 0.175 nan 8.270 nan 0.000 0.440 222 F N 1.601 121.562 119.950 0.019 0.000 2.075 222 F HA -0.228 4.302 4.527 0.006 0.000 0.297 222 F C 2.457 178.267 175.800 0.015 0.000 1.113 222 F CA 1.845 59.849 58.000 0.007 0.000 1.218 222 F CB -0.558 38.441 39.000 -0.001 0.000 0.984 222 F HN -0.022 nan 8.300 nan 0.000 0.472 223 S N -1.028 114.625 115.700 -0.078 0.000 2.382 223 S HA -0.287 4.187 4.470 0.007 0.000 0.228 223 S C 2.076 176.609 174.600 -0.112 0.000 1.027 223 S CA 1.411 59.507 58.200 -0.173 0.000 0.991 223 S CB -1.125 62.079 63.200 0.007 0.000 0.823 223 S HN 0.647 nan 8.310 nan 0.000 0.469 224 H N 2.005 120.991 119.070 -0.139 0.000 2.321 224 H HA 0.121 4.681 4.556 0.007 0.000 0.300 224 H C 2.236 177.483 175.328 -0.136 0.000 1.087 224 H CA 1.672 57.653 56.048 -0.112 0.000 1.319 224 H CB -0.876 28.845 29.762 -0.068 0.000 1.379 224 H HN 0.403 nan 8.280 nan 0.000 0.501 225 S N 0.222 115.768 115.700 -0.257 0.000 2.374 225 S HA -0.129 4.345 4.470 0.007 0.000 0.227 225 S C 1.625 176.061 174.600 -0.274 0.000 1.037 225 S CA 1.549 59.579 58.200 -0.284 0.000 1.024 225 S CB -0.055 63.022 63.200 -0.205 0.000 0.861 225 S HN 0.521 nan 8.310 nan 0.000 0.456 226 E N -0.065 119.926 120.200 -0.348 0.000 2.479 226 E HA 0.188 4.543 4.350 0.007 0.000 0.193 226 E C 1.164 177.645 176.600 -0.198 0.000 1.049 226 E CA 0.396 56.609 56.400 -0.312 0.000 0.870 226 E CB -0.141 29.260 29.700 -0.499 0.000 0.944 226 E HN 0.521 nan 8.360 nan 0.000 0.492 227 G N 1.852 110.561 108.800 -0.151 0.000 2.246 227 G HA2 -0.281 3.683 3.960 0.007 0.000 0.273 227 G HA3 -0.281 3.683 3.960 0.007 0.000 0.273 227 G C 0.089 174.949 174.900 -0.066 0.000 1.055 227 G CA 0.360 45.414 45.100 -0.077 0.000 0.851 227 G HN 0.185 nan 8.290 nan 0.000 0.500 228 L N -0.334 120.839 121.223 -0.083 0.000 2.331 228 L HA 0.528 4.872 4.340 0.007 0.000 0.275 228 L C -0.271 176.576 176.870 -0.039 0.000 1.022 228 L CA -1.255 53.553 54.840 -0.053 0.000 0.812 228 L CB 1.227 43.252 42.059 -0.056 0.000 1.257 228 L HN -0.065 nan 8.230 nan 0.000 0.435 229 D N 2.422 122.810 120.400 -0.020 0.000 2.264 229 D HA 0.437 5.081 4.640 0.007 0.000 0.250 229 D C -0.668 175.584 176.300 -0.080 0.000 1.113 229 D CA -0.106 53.852 54.000 -0.070 0.000 0.871 229 D CB 2.049 42.859 40.800 0.016 0.000 1.167 229 D HN 0.079 nan 8.370 nan 0.000 0.447 230 L N 3.484 124.557 121.223 -0.250 0.000 2.341 230 L HA 0.447 4.791 4.340 0.007 0.000 0.278 230 L C -1.781 174.853 176.870 -0.394 0.000 1.005 230 L CA -0.586 54.163 54.840 -0.151 0.000 0.818 230 L CB 1.011 43.032 42.059 -0.062 0.000 1.259 230 L HN 0.233 nan 8.230 nan 0.000 0.418 231 Y N 4.748 125.067 120.300 0.033 0.000 2.462 231 Y HA 0.696 5.253 4.550 0.011 0.000 0.346 231 Y C -0.689 175.246 175.900 0.059 0.000 0.976 231 Y CA -0.759 57.362 58.100 0.035 0.000 1.044 231 Y CB 1.936 40.411 38.460 0.025 0.000 1.230 231 Y HN 0.404 nan 8.280 nan 0.000 0.455 232 L N 2.635 123.985 121.223 0.212 0.000 2.346 232 L HA 0.890 5.234 4.340 0.007 0.000 0.276 232 L C -0.527 176.459 176.870 0.193 0.000 1.006 232 L CA -1.131 53.846 54.840 0.227 0.000 0.817 232 L CB 2.018 44.225 42.059 0.248 0.000 1.272 232 L HN 0.753 nan 8.230 nan 0.000 0.421 233 A N 3.365 126.267 122.820 0.136 0.000 2.483 233 A HA 0.593 4.918 4.320 0.007 0.000 0.308 233 A C -2.109 175.343 177.584 -0.220 0.000 1.291 233 A CA -1.204 50.841 52.037 0.013 0.000 0.774 233 A CB 0.558 19.584 19.000 0.043 0.000 1.134 233 A HN 0.508 nan 8.150 nan 0.000 0.471 234 P HA 0.020 nan 4.420 nan 0.000 0.233 234 P C -0.210 176.953 177.300 -0.228 0.000 1.167 234 P CA 1.347 64.162 63.100 -0.474 0.000 0.770 234 P CB 0.081 31.683 31.700 -0.164 0.000 0.837 235 D N -2.811 117.519 120.400 -0.116 0.000 2.865 235 D HA 0.019 4.664 4.640 0.007 0.000 0.343 235 D C 0.714 177.006 176.300 -0.014 0.000 1.372 235 D CA -0.217 53.750 54.000 -0.055 0.000 0.862 235 D CB -0.490 40.286 40.800 -0.040 0.000 1.425 235 D HN -0.235 nan 8.370 nan 0.000 0.501 236 S N -1.280 114.421 115.700 0.001 0.000 2.481 236 S HA -0.013 4.462 4.470 0.007 0.000 0.231 236 S C 1.225 175.839 174.600 0.022 0.000 0.996 236 S CA 1.200 59.412 58.200 0.019 0.000 0.942 236 S CB -0.250 62.959 63.200 0.015 0.000 0.768 236 S HN 0.503 nan 8.310 nan 0.000 0.520 237 E N -0.313 119.895 120.200 0.014 0.000 2.290 237 E HA 0.284 4.639 4.350 0.007 0.000 0.199 237 E C -0.182 176.428 176.600 0.018 0.000 0.912 237 E CA -0.142 56.268 56.400 0.016 0.000 0.924 237 E CB 0.338 30.045 29.700 0.012 0.000 0.901 237 E HN 0.346 nan 8.360 nan 0.000 0.487 238 I N 2.159 122.737 120.570 0.014 0.000 2.496 238 I HA 0.134 4.308 4.170 0.007 0.000 0.285 238 I C -0.383 175.755 176.117 0.036 0.000 1.080 238 I CA -0.194 61.119 61.300 0.022 0.000 1.404 238 I CB 0.892 38.902 38.000 0.016 0.000 1.403 238 I HN 0.062 nan 8.210 nan 0.000 0.539 239 L N 6.875 128.130 121.223 0.053 0.000 2.406 239 L HA 0.353 4.698 4.340 0.007 0.000 0.270 239 L C -0.091 176.853 176.870 0.123 0.000 0.982 239 L CA -0.190 54.703 54.840 0.088 0.000 0.843 239 L CB 1.315 43.411 42.059 0.061 0.000 1.225 239 L HN 0.582 nan 8.230 nan 0.000 0.412 240 E N 2.555 122.837 120.200 0.138 0.000 2.229 240 E HA 0.271 4.625 4.350 0.007 0.000 0.283 240 E C -0.845 175.840 176.600 0.143 0.000 1.030 240 E CA -0.415 56.056 56.400 0.118 0.000 0.836 240 E CB 0.910 30.663 29.700 0.087 0.000 1.068 240 E HN 0.579 nan 8.360 nan 0.000 0.401 241 T N 4.125 118.736 114.554 0.094 0.000 2.737 241 T HA 0.095 4.449 4.350 0.007 0.000 0.296 241 T C 1.093 175.698 174.700 -0.159 0.000 0.922 241 T CA -0.518 61.526 62.100 -0.092 0.000 1.079 241 T CB 1.130 69.981 68.868 -0.028 0.000 0.892 241 T HN 0.317 nan 8.240 nan 0.000 0.514 242 V N 2.748 122.510 119.914 -0.252 0.000 2.374 242 V HA 0.094 4.218 4.120 0.007 0.000 0.241 242 V C 1.201 177.178 176.094 -0.196 0.000 1.034 242 V CA 0.799 63.000 62.300 -0.165 0.000 1.037 242 V CB -0.050 31.700 31.823 -0.122 0.000 0.682 242 V HN 0.935 nan 8.190 nan 0.000 0.463 243 S N -1.066 114.462 115.700 -0.286 0.000 2.546 243 S HA 0.819 5.293 4.470 0.007 0.000 0.274 243 S C -0.401 174.014 174.600 -0.309 0.000 1.121 243 S CA -0.079 57.977 58.200 -0.240 0.000 0.887 243 S CB 2.198 65.288 63.200 -0.183 0.000 1.094 243 S HN 1.367 nan 8.310 nan 0.000 0.474 244 G N 0.664 109.356 108.800 -0.180 0.000 2.335 244 G HA2 0.346 4.310 3.960 0.007 0.000 0.592 244 G HA3 0.346 4.310 3.960 0.007 0.000 0.592 244 G C -1.187 173.697 174.900 -0.028 0.000 1.442 244 G CA -0.307 44.730 45.100 -0.105 0.000 0.976 244 G HN 1.046 nan 8.290 nan 0.000 0.652 248 W N 0.498 121.790 121.300 -0.014 0.000 3.146 248 W HA 0.628 5.292 4.660 0.007 0.000 0.319 248 W C -2.175 174.569 176.519 0.376 0.000 1.258 248 W CA -1.000 56.452 57.345 0.179 0.000 1.189 248 W CB 0.500 29.972 29.460 0.020 0.000 1.412 248 W HN 0.580 nan 8.180 nan 0.000 0.567 249 Y N -0.553 120.060 120.300 0.522 0.000 2.576 249 Y HA 0.648 5.202 4.550 0.008 0.000 0.346 249 Y C -0.963 175.154 175.900 0.361 0.000 1.018 249 Y CA -1.340 56.946 58.100 0.310 0.000 1.050 249 Y CB 1.433 39.955 38.460 0.103 0.000 1.280 249 Y HN 0.152 nan 8.280 nan 0.000 0.474 250 D N 1.438 122.089 120.400 0.418 0.000 2.198 250 D HA 0.500 5.144 4.640 0.007 0.000 0.245 250 D C -1.082 175.362 176.300 0.240 0.000 1.079 250 D CA -0.055 54.094 54.000 0.249 0.000 0.854 250 D CB 1.889 42.836 40.800 0.245 0.000 1.148 250 D HN 0.565 nan 8.370 nan 0.000 0.456 251 S N 1.928 117.709 115.700 0.136 0.000 2.543 251 S HA 0.197 4.671 4.470 0.007 0.000 0.273 251 S C -0.609 174.023 174.600 0.053 0.000 1.152 251 S CA -0.709 57.570 58.200 0.131 0.000 0.910 251 S CB 0.503 63.853 63.200 0.250 0.000 1.105 251 S HN 0.502 nan 8.310 nan 0.000 0.465 252 N N 2.568 121.287 118.700 0.031 0.000 2.716 252 N HA -0.230 4.515 4.740 0.007 0.000 0.250 252 N C 0.863 176.381 175.510 0.013 0.000 1.033 252 N CA 1.340 54.398 53.050 0.012 0.000 0.727 252 N CB -1.408 37.078 38.487 -0.002 0.000 0.950 252 N HN 1.547 nan 8.380 nan 0.000 0.541 253 G N -1.448 107.362 108.800 0.017 0.000 2.199 253 G HA2 -0.312 3.652 3.960 0.007 0.000 0.254 253 G HA3 -0.312 3.652 3.960 0.007 0.000 0.254 253 G C 0.035 174.934 174.900 -0.002 0.000 0.982 253 G CA 0.643 45.748 45.100 0.010 0.000 0.632 253 G HN 0.402 nan 8.290 nan 0.000 0.529 254 L N -0.541 120.678 121.223 -0.007 0.000 2.322 254 L HA 0.745 5.089 4.340 0.007 0.000 0.269 254 L C 0.590 177.428 176.870 -0.054 0.000 1.012 254 L CA -1.213 53.607 54.840 -0.034 0.000 0.815 254 L CB 1.847 43.885 42.059 -0.035 0.000 1.295 254 L HN 0.134 nan 8.230 nan 0.000 0.438 255 R N 1.906 122.351 120.500 -0.092 0.000 2.295 255 R HA 0.642 4.986 4.340 0.007 0.000 0.324 255 R C -1.593 174.624 176.300 -0.139 0.000 0.968 255 R CA -0.416 55.613 56.100 -0.119 0.000 0.837 255 R CB 0.755 30.907 30.300 -0.247 0.000 1.133 255 R HN 0.561 nan 8.270 nan 0.000 0.450 256 L N 4.761 125.874 121.223 -0.183 0.000 2.342 256 L HA 0.360 4.705 4.340 0.007 0.000 0.276 256 L C 0.208 177.060 176.870 -0.029 0.000 0.997 256 L CA -0.873 53.826 54.840 -0.234 0.000 0.838 256 L CB 1.946 43.653 42.059 -0.588 0.000 1.224 256 L HN 0.742 nan 8.230 nan 0.000 0.416 257 T N 0.007 114.602 114.554 0.068 0.000 2.899 257 T HA 0.647 5.001 4.350 0.007 0.000 0.295 257 T C -0.431 174.420 174.700 0.250 0.000 1.033 257 T CA -0.345 61.852 62.100 0.162 0.000 1.084 257 T CB 0.993 69.897 68.868 0.061 0.000 0.979 257 T HN 0.368 nan 8.240 nan 0.000 0.532 258 F N -1.127 118.868 119.950 0.075 0.000 2.654 258 F HA 0.718 5.250 4.527 0.007 0.000 0.308 258 F C -0.454 175.359 175.800 0.023 0.000 1.108 258 F CA -1.335 56.701 58.000 0.060 0.000 0.957 258 F CB 1.342 40.411 39.000 0.116 0.000 1.309 258 F HN 0.680 nan 8.300 nan 0.000 0.446 259 S N 1.567 117.320 115.700 0.089 0.000 2.562 259 S HA 0.462 4.936 4.470 0.007 0.000 0.275 259 S C -1.842 172.764 174.600 0.010 0.000 1.281 259 S CA -1.394 56.772 58.200 -0.057 0.000 1.045 259 S CB 1.168 64.361 63.200 -0.011 0.000 0.962 259 S HN 0.558 nan 8.310 nan 0.000 0.503 260 P HA -0.098 nan 4.420 nan 0.000 0.222 260 P C 1.232 178.524 177.300 -0.013 0.000 1.147 260 P CA 0.863 63.874 63.100 -0.148 0.000 0.790 260 P CB -0.024 31.311 31.700 -0.610 0.000 0.780 261 R N -0.673 119.821 120.500 -0.011 0.000 2.073 261 R HA 0.002 4.346 4.340 0.007 0.000 0.229 261 R C 0.424 176.788 176.300 0.106 0.000 1.120 261 R CA 0.646 56.775 56.100 0.047 0.000 0.967 261 R CB -1.381 28.942 30.300 0.039 0.000 0.862 261 R HN 0.044 nan 8.270 nan 0.000 0.436 262 D N 1.315 121.796 120.400 0.137 0.000 2.515 262 D HA -0.132 4.512 4.640 0.007 0.000 0.230 262 D C -0.607 175.801 176.300 0.180 0.000 1.181 262 D CA 0.319 54.425 54.000 0.176 0.000 0.875 262 D CB 0.237 41.160 40.800 0.205 0.000 1.213 262 D HN 0.100 nan 8.370 nan 0.000 0.478 263 F N 2.429 122.405 119.950 0.043 0.000 2.467 263 F HA 0.285 4.816 4.527 0.007 0.000 0.362 263 F C 0.199 175.972 175.800 -0.045 0.000 1.090 263 F CA -0.465 57.539 58.000 0.007 0.000 1.202 263 F CB 0.062 39.075 39.000 0.022 0.000 1.113 263 F HN 0.223 nan 8.300 nan 0.000 0.541 264 I N 3.183 123.283 120.570 -0.784 0.000 2.892 264 I HA 0.454 4.628 4.170 0.007 0.000 0.306 264 I C -0.958 174.463 176.117 -1.160 0.000 1.078 264 I CA -1.221 59.565 61.300 -0.857 0.000 1.032 264 I CB 1.773 39.283 38.000 -0.817 0.000 1.229 264 I HN 0.376 nan 8.210 nan 0.000 0.435 265 Q N 2.208 121.523 119.800 -0.808 0.000 2.373 265 Q HA 0.172 4.516 4.340 0.007 0.000 0.255 265 Q C 0.941 176.673 176.000 -0.448 0.000 0.980 265 Q CA -0.149 55.306 55.803 -0.580 0.000 0.882 265 Q CB 2.362 30.911 28.738 -0.316 0.000 1.249 265 Q HN 0.722 nan 8.270 nan 0.000 0.438 266 V N 1.512 121.274 119.914 -0.253 0.000 2.323 266 V HA -0.137 3.988 4.120 0.007 0.000 0.244 266 V C 0.960 176.972 176.094 -0.136 0.000 1.041 266 V CA 1.277 63.504 62.300 -0.122 0.000 1.025 266 V CB -0.161 31.765 31.823 0.172 0.000 0.656 266 V HN 0.687 nan 8.190 nan 0.000 0.451 267 N N 0.168 118.741 118.700 -0.212 0.000 2.589 267 N HA 0.329 5.073 4.740 0.007 0.000 0.232 267 N C 0.663 176.047 175.510 -0.209 0.000 1.015 267 N CA 0.545 53.481 53.050 -0.191 0.000 0.931 267 N CB 1.552 39.820 38.487 -0.366 0.000 1.150 267 N HN 0.225 nan 8.380 nan 0.000 0.512 268 A N 3.063 125.779 122.820 -0.174 0.000 1.898 268 A HA 0.009 4.333 4.320 0.007 0.000 0.216 268 A C 1.891 179.389 177.584 -0.142 0.000 1.181 268 A CA 1.777 53.699 52.037 -0.192 0.000 0.620 268 A CB -0.873 18.018 19.000 -0.180 0.000 0.819 268 A HN 0.617 nan 8.150 nan 0.000 0.442 269 G N -0.482 108.251 108.800 -0.112 0.000 2.414 269 G HA2 -0.109 3.855 3.960 0.007 0.000 0.215 269 G HA3 -0.109 3.855 3.960 0.007 0.000 0.215 269 G C 1.500 176.326 174.900 -0.125 0.000 1.188 269 G CA 1.268 46.312 45.100 -0.094 0.000 0.783 269 G HN 0.315 nan 8.290 nan 0.000 0.537 270 V N 1.709 121.522 119.914 -0.168 0.000 2.490 270 V HA -0.240 3.884 4.120 0.007 0.000 0.250 270 V C 2.586 178.570 176.094 -0.182 0.000 1.061 270 V CA 1.899 64.083 62.300 -0.193 0.000 1.064 270 V CB -0.544 31.116 31.823 -0.271 0.000 0.670 270 V HN 0.546 nan 8.190 nan 0.000 0.461 271 N N 0.147 118.731 118.700 -0.193 0.000 2.120 271 N HA -0.261 4.483 4.740 0.007 0.000 0.188 271 N C 2.063 177.468 175.510 -0.175 0.000 1.024 271 N CA 1.903 54.837 53.050 -0.192 0.000 0.852 271 N CB 0.015 38.379 38.487 -0.206 0.000 1.003 271 N HN 0.659 nan 8.380 nan 0.000 0.424 272 Q N 0.692 120.411 119.800 -0.134 0.000 2.119 272 Q HA -0.058 4.286 4.340 0.007 0.000 0.201 272 Q C 0.391 176.332 176.000 -0.098 0.000 0.972 272 Q CA 0.994 56.738 55.803 -0.098 0.000 0.847 272 Q CB 0.197 28.901 28.738 -0.058 0.000 0.903 272 Q HN 0.265 nan 8.270 nan 0.000 0.433 276 A N 0.557 123.351 122.820 -0.043 0.000 1.877 276 A HA -0.215 4.110 4.320 0.007 0.000 0.216 276 A C 1.970 179.513 177.584 -0.068 0.000 1.186 276 A CA 2.637 54.653 52.037 -0.035 0.000 0.620 276 A CB -0.450 18.525 19.000 -0.042 0.000 0.822 276 A HN 0.427 nan 8.150 nan 0.000 0.443 277 R N -0.091 120.314 120.500 -0.159 0.000 2.081 277 R HA -0.022 4.322 4.340 0.007 0.000 0.235 277 R C 2.228 178.247 176.300 -0.469 0.000 1.131 277 R CA 1.719 57.611 56.100 -0.347 0.000 0.960 277 R CB -0.768 29.226 30.300 -0.509 0.000 0.856 277 R HN 0.435 nan 8.270 nan 0.000 0.436 278 A N 0.048 122.695 122.820 -0.287 0.000 1.940 278 A HA -0.141 4.183 4.320 0.007 0.000 0.219 278 A C 1.963 179.569 177.584 0.036 0.000 1.176 278 A CA 1.351 53.311 52.037 -0.128 0.000 0.631 278 A CB -0.560 18.477 19.000 0.062 0.000 0.814 278 A HN 0.274 nan 8.150 nan 0.000 0.446 279 L N -0.049 121.211 121.223 0.062 0.000 2.046 279 L HA -0.161 4.183 4.340 0.007 0.000 0.208 279 L C 2.427 179.358 176.870 0.102 0.000 1.077 279 L CA 2.109 57.003 54.840 0.089 0.000 0.747 279 L CB -0.723 41.383 42.059 0.079 0.000 0.896 279 L HN 0.494 nan 8.230 nan 0.000 0.432 280 E N -1.779 118.471 120.200 0.084 0.000 2.077 280 E HA -0.254 4.101 4.350 0.007 0.000 0.193 280 E C 2.049 178.820 176.600 0.284 0.000 0.989 280 E CA 1.310 57.798 56.400 0.148 0.000 0.800 280 E CB -0.280 29.501 29.700 0.135 0.000 0.746 280 E HN 0.459 nan 8.360 nan 0.000 0.452 281 W N 0.807 122.126 121.300 0.032 0.000 2.388 281 W HA -0.012 4.653 4.660 0.008 0.000 0.294 281 W C 1.937 178.472 176.519 0.027 0.000 1.212 281 W CA 0.460 57.817 57.345 0.021 0.000 1.271 281 W CB -0.681 28.785 29.460 0.010 0.000 1.126 281 W HN 0.076 nan 8.180 nan 0.000 0.535 282 L N 0.022 121.401 121.223 0.260 0.000 2.313 282 L HA -0.090 4.255 4.340 0.007 0.000 0.214 282 L C 0.550 177.498 176.870 0.130 0.000 1.119 282 L CA 1.101 56.041 54.840 0.167 0.000 0.809 282 L CB -0.620 41.514 42.059 0.125 0.000 0.933 282 L HN -0.079 nan 8.230 nan 0.000 0.449 283 D N 0.702 121.181 120.400 0.132 0.000 2.735 283 D HA -0.167 4.477 4.640 0.007 0.000 0.235 283 D C -0.331 176.019 176.300 0.083 0.000 1.175 283 D CA 0.144 54.204 54.000 0.101 0.000 0.683 283 D CB -0.853 40.001 40.800 0.088 0.000 1.008 283 D HN -0.106 nan 8.370 nan 0.000 0.416 284 V N 2.441 122.404 119.914 0.082 0.000 2.521 284 V HA 0.093 4.217 4.120 0.007 0.000 0.286 284 V C 0.984 177.114 176.094 0.060 0.000 1.034 284 V CA 0.086 62.430 62.300 0.072 0.000 1.045 284 V CB 1.344 33.210 31.823 0.072 0.000 0.974 284 V HN 0.247 nan 8.190 nan 0.000 0.480 285 Q N 6.223 126.057 119.800 0.056 0.000 2.215 285 Q HA 0.350 4.695 4.340 0.007 0.000 0.256 285 Q C -1.775 174.250 176.000 0.041 0.000 0.972 285 Q CA -2.332 53.498 55.803 0.046 0.000 0.889 285 Q CB 1.113 29.877 28.738 0.043 0.000 1.281 285 Q HN 0.332 nan 8.270 nan 0.000 0.456 286 P HA -0.149 nan 4.420 nan 0.000 0.222 286 P C 0.640 177.956 177.300 0.027 0.000 1.147 286 P CA 1.223 64.341 63.100 0.029 0.000 0.790 286 P CB 0.425 32.139 31.700 0.024 0.000 0.780 287 E N -1.707 118.510 120.200 0.028 0.000 2.481 287 E HA 0.057 4.412 4.350 0.007 0.000 0.198 287 E C -0.090 176.528 176.600 0.029 0.000 1.027 287 E CA 0.116 56.531 56.400 0.024 0.000 0.900 287 E CB -0.577 29.134 29.700 0.019 0.000 0.993 287 E HN 0.163 nan 8.360 nan 0.000 0.482 288 D N 2.381 122.806 120.400 0.042 0.000 2.443 288 D HA 0.081 4.725 4.640 0.007 0.000 0.239 288 D C -0.281 176.058 176.300 0.066 0.000 1.136 288 D CA 0.240 54.275 54.000 0.058 0.000 0.879 288 D CB 0.822 41.665 40.800 0.071 0.000 1.195 288 D HN -0.025 nan 8.370 nan 0.000 0.443 289 R N 1.637 122.184 120.500 0.079 0.000 2.294 289 R HA 0.466 4.810 4.340 0.007 0.000 0.319 289 R C -1.234 175.238 176.300 0.287 0.000 0.984 289 R CA -0.626 55.544 56.100 0.116 0.000 0.861 289 R CB 0.735 31.023 30.300 -0.020 0.000 1.104 289 R HN 0.146 nan 8.270 nan 0.000 0.451 290 V N 5.733 125.831 119.914 0.306 0.000 2.555 290 V HA 0.412 4.537 4.120 0.007 0.000 0.302 290 V C -0.820 175.355 176.094 0.134 0.000 1.038 290 V CA -0.989 61.447 62.300 0.227 0.000 0.887 290 V CB 1.695 33.577 31.823 0.097 0.000 0.991 290 V HN 0.593 nan 8.190 nan 0.000 0.434 291 L N 3.388 124.493 121.223 -0.197 0.000 2.322 291 L HA 0.752 5.096 4.340 0.007 0.000 0.281 291 L C -0.834 175.844 176.870 -0.320 0.000 1.014 291 L CA 0.123 54.614 54.840 -0.582 0.000 0.815 291 L CB 1.671 42.935 42.059 -1.323 0.000 1.247 291 L HN 0.712 nan 8.230 nan 0.000 0.421 292 D N 4.974 125.208 120.400 -0.276 0.000 2.454 292 D HA 0.347 4.992 4.640 0.007 0.000 0.247 292 D C -1.108 175.081 176.300 -0.184 0.000 1.129 292 D CA -0.106 53.788 54.000 -0.177 0.000 0.877 292 D CB 0.561 41.306 40.800 -0.092 0.000 1.082 292 D HN 0.539 nan 8.370 nan 0.000 0.537 293 L N 3.593 124.711 121.223 -0.176 0.000 2.334 293 L HA 0.424 4.768 4.340 0.007 0.000 0.277 293 L C 0.241 177.076 176.870 -0.059 0.000 1.075 293 L CA -0.915 53.769 54.840 -0.259 0.000 0.804 293 L CB 0.464 42.336 42.059 -0.312 0.000 1.174 293 L HN 0.404 nan 8.230 nan 0.000 0.438 294 F N 0.876 120.787 119.950 -0.064 0.000 2.983 294 F HA -0.221 4.311 4.527 0.008 0.000 0.288 294 F C 1.444 177.259 175.800 0.026 0.000 0.980 294 F CA 0.542 58.524 58.000 -0.030 0.000 0.965 294 F CB -1.915 37.053 39.000 -0.053 0.000 0.967 294 F HN 0.663 nan 8.300 nan 0.000 0.800 295 C N -0.764 118.615 119.300 0.132 0.000 2.576 295 C HA 0.588 5.052 4.460 0.007 0.000 0.267 295 C C 1.803 176.935 174.990 0.236 0.000 1.364 295 C CA -0.060 59.076 59.018 0.195 0.000 1.723 295 C CB -0.995 26.849 27.740 0.174 0.000 1.778 295 C HN 1.769 nan 8.230 nan 0.000 0.572 299 N N 0.729 119.517 118.700 0.147 0.000 2.036 299 N HA -0.179 4.565 4.740 0.007 0.000 0.199 299 N C 1.585 177.034 175.510 -0.102 0.000 1.036 299 N CA 2.075 55.122 53.050 -0.005 0.000 0.870 299 N CB -0.283 38.150 38.487 -0.089 0.000 1.055 299 N HN 0.363 nan 8.380 nan 0.000 0.436 300 F N -0.591 119.412 119.950 0.088 0.000 2.473 300 F HA 0.159 4.688 4.527 0.003 0.000 0.294 300 F C 2.417 178.248 175.800 0.051 0.000 1.103 300 F CA 0.804 58.838 58.000 0.056 0.000 1.442 300 F CB -0.610 38.415 39.000 0.041 0.000 1.097 300 F HN -0.014 nan 8.300 nan 0.000 0.547 301 T N 0.965 115.674 114.554 0.259 0.000 2.746 301 T HA -0.139 4.216 4.350 0.007 0.000 0.267 301 T C 2.177 176.939 174.700 0.104 0.000 1.039 301 T CA 1.215 63.394 62.100 0.133 0.000 1.142 301 T CB -0.474 68.449 68.868 0.092 0.000 0.866 301 T HN 0.176 nan 8.240 nan 0.000 0.444 302 L N 0.597 121.912 121.223 0.153 0.000 2.072 302 L HA -0.002 4.342 4.340 0.007 0.000 0.205 302 L C -0.490 176.424 176.870 0.075 0.000 1.079 302 L CA 1.185 56.096 54.840 0.119 0.000 0.752 302 L CB -1.647 40.489 42.059 0.129 0.000 0.906 302 L HN 0.179 nan 8.230 nan 0.000 0.436 303 P HA -0.154 nan 4.420 nan 0.000 0.217 303 P C 1.960 179.302 177.300 0.070 0.000 1.150 303 P CA 1.253 64.390 63.100 0.061 0.000 0.832 303 P CB 0.086 31.821 31.700 0.058 0.000 0.787 304 L N -0.904 120.373 121.223 0.089 0.000 2.079 304 L HA -0.180 4.165 4.340 0.007 0.000 0.210 304 L C 2.391 179.290 176.870 0.049 0.000 1.081 304 L CA 1.587 56.471 54.840 0.074 0.000 0.752 304 L CB -1.113 40.989 42.059 0.073 0.000 0.896 304 L HN -0.041 nan 8.230 nan 0.000 0.433 305 A N -0.289 122.553 122.820 0.037 0.000 2.121 305 A HA -0.165 4.160 4.320 0.007 0.000 0.218 305 A C 2.319 179.920 177.584 0.028 0.000 1.154 305 A CA 1.737 53.789 52.037 0.024 0.000 0.679 305 A CB -0.806 18.203 19.000 0.014 0.000 0.795 305 A HN 0.536 nan 8.150 nan 0.000 0.458 306 T N -3.186 111.388 114.554 0.033 0.000 3.072 306 T HA -0.034 4.320 4.350 0.007 0.000 0.266 306 T C 1.510 176.228 174.700 0.030 0.000 1.127 306 T CA 1.304 63.421 62.100 0.028 0.000 1.107 306 T CB -0.097 68.786 68.868 0.026 0.000 0.910 306 T HN 0.624 nan 8.240 nan 0.000 0.513 307 Q N 0.095 119.917 119.800 0.036 0.000 2.422 307 Q HA 0.484 4.829 4.340 0.007 0.000 0.255 307 Q C 1.038 177.062 176.000 0.039 0.000 0.864 307 Q CA 0.192 56.018 55.803 0.038 0.000 0.968 307 Q CB 0.679 29.445 28.738 0.046 0.000 1.130 307 Q HN 0.606 nan 8.270 nan 0.000 0.556 308 A N 0.605 123.450 122.820 0.041 0.000 2.264 308 A HA 0.624 4.949 4.320 0.007 0.000 0.304 308 A C 1.007 178.613 177.584 0.035 0.000 1.100 308 A CA 0.382 52.445 52.037 0.044 0.000 0.839 308 A CB 0.600 19.632 19.000 0.053 0.000 1.121 308 A HN 0.232 nan 8.150 nan 0.000 0.496 309 A N 0.659 123.501 122.820 0.036 0.000 1.883 309 A HA 0.252 4.576 4.320 0.007 0.000 0.217 309 A C 1.247 178.847 177.584 0.027 0.000 1.186 309 A CA 2.130 54.183 52.037 0.027 0.000 0.624 309 A CB -0.681 18.333 19.000 0.023 0.000 0.822 309 A HN 2.122 nan 8.150 nan 0.000 0.444 310 S N -3.210 112.513 115.700 0.038 0.000 2.565 310 S HA 0.612 5.086 4.470 0.007 0.000 0.269 310 S C -1.235 173.403 174.600 0.063 0.000 1.153 310 S CA -0.468 57.755 58.200 0.038 0.000 0.835 310 S CB 1.630 64.851 63.200 0.036 0.000 1.122 310 S HN 0.612 nan 8.310 nan 0.000 0.462 311 V N 1.336 121.269 119.914 0.032 0.000 2.709 311 V HA 0.687 4.811 4.120 0.007 0.000 0.308 311 V C -0.867 175.201 176.094 -0.042 0.000 1.062 311 V CA -0.669 61.635 62.300 0.008 0.000 0.901 311 V CB 1.863 33.652 31.823 -0.056 0.000 1.003 311 V HN 0.886 nan 8.190 nan 0.000 0.425 312 V N 2.796 122.703 119.914 -0.012 0.000 2.448 312 V HA 0.805 4.930 4.120 0.007 0.000 0.295 312 V C 0.586 176.479 176.094 -0.334 0.000 1.025 312 V CA -0.264 61.956 62.300 -0.133 0.000 0.859 312 V CB 1.888 33.759 31.823 0.080 0.000 0.988 312 V HN 1.005 nan 8.190 nan 0.000 0.431 313 G N 3.166 111.666 108.800 -0.500 0.000 2.379 313 G HA2 0.638 4.602 3.960 0.007 0.000 0.327 313 G HA3 0.638 4.602 3.960 0.007 0.000 0.327 313 G C -1.219 173.516 174.900 -0.275 0.000 1.145 313 G CA -0.458 44.398 45.100 -0.406 0.000 0.905 313 G HN 0.553 nan 8.290 nan 0.000 0.466 314 V N 1.568 121.339 119.914 -0.238 0.000 2.531 314 V HA 0.656 4.780 4.120 0.007 0.000 0.301 314 V C -0.603 175.401 176.094 -0.150 0.000 1.034 314 V CA -0.664 61.495 62.300 -0.235 0.000 0.865 314 V CB 1.601 33.194 31.823 -0.385 0.000 0.995 314 V HN 0.898 nan 8.190 nan 0.000 0.424 315 E N 2.777 122.938 120.200 -0.064 0.000 2.366 315 E HA 0.621 4.975 4.350 0.007 0.000 0.278 315 E C 0.497 177.081 176.600 -0.026 0.000 0.923 315 E CA 0.020 56.416 56.400 -0.007 0.000 0.761 315 E CB 2.004 31.765 29.700 0.102 0.000 1.231 315 E HN 0.525 nan 8.360 nan 0.000 0.443 316 G N 1.334 110.128 108.800 -0.011 0.000 2.939 316 G HA2 0.170 4.135 3.960 0.007 0.000 0.210 316 G HA3 0.170 4.135 3.960 0.007 0.000 0.210 316 G C -0.346 174.675 174.900 0.201 0.000 1.160 316 G CA 0.257 45.332 45.100 -0.042 0.000 0.770 316 G HN 0.253 nan 8.290 nan 0.000 0.543 317 V N 1.640 121.678 119.914 0.207 0.000 2.350 317 V HA 0.229 4.353 4.120 0.007 0.000 0.276 317 V C -1.333 174.867 176.094 0.175 0.000 1.028 317 V CA -1.416 60.995 62.300 0.185 0.000 0.860 317 V CB 2.062 33.945 31.823 0.100 0.000 0.990 317 V HN -0.024 nan 8.190 nan 0.000 0.453 318 P HA -0.124 nan 4.420 nan 0.000 0.217 318 P C 1.533 178.815 177.300 -0.031 0.000 1.150 318 P CA 1.555 64.609 63.100 -0.076 0.000 0.832 318 P CB 0.291 31.838 31.700 -0.255 0.000 0.787 319 A N -0.534 122.279 122.820 -0.012 0.000 1.972 319 A HA -0.148 4.177 4.320 0.007 0.000 0.219 319 A C 2.189 179.768 177.584 -0.009 0.000 1.169 319 A CA 1.371 53.403 52.037 -0.008 0.000 0.635 319 A CB -1.607 17.400 19.000 0.012 0.000 0.810 319 A HN 0.146 nan 8.150 nan 0.000 0.446 320 L N -1.005 120.225 121.223 0.012 0.000 2.179 320 L HA -0.080 4.264 4.340 0.007 0.000 0.208 320 L C 2.411 179.223 176.870 -0.097 0.000 1.096 320 L CA 0.517 55.355 54.840 -0.004 0.000 0.779 320 L CB -0.415 41.675 42.059 0.051 0.000 0.922 320 L HN 0.214 nan 8.230 nan 0.000 0.443 321 V N 0.104 119.980 119.914 -0.063 0.000 2.358 321 V HA -0.246 3.879 4.120 0.007 0.000 0.246 321 V C 2.325 178.267 176.094 -0.253 0.000 1.047 321 V CA 1.738 63.960 62.300 -0.131 0.000 1.035 321 V CB -0.360 31.482 31.823 0.032 0.000 0.658 321 V HN 0.463 nan 8.190 nan 0.000 0.452 322 E N -0.197 119.913 120.200 -0.149 0.000 2.106 322 E HA -0.250 4.104 4.350 0.007 0.000 0.192 322 E C 2.182 178.680 176.600 -0.170 0.000 0.984 322 E CA 1.096 57.415 56.400 -0.135 0.000 0.806 322 E CB -0.099 29.555 29.700 -0.078 0.000 0.750 322 E HN 0.331 nan 8.360 nan 0.000 0.458 323 K N 0.772 121.073 120.400 -0.165 0.000 2.103 323 K HA -0.055 4.269 4.320 0.007 0.000 0.204 323 K C 1.951 178.401 176.600 -0.250 0.000 1.052 323 K CA 1.273 57.476 56.287 -0.141 0.000 0.945 323 K CB -0.626 31.841 32.500 -0.054 0.000 0.722 323 K HN 0.151 nan 8.250 nan 0.000 0.443 324 G N 0.401 108.901 108.800 -0.500 0.000 2.446 324 G HA2 -0.300 3.665 3.960 0.007 0.000 0.217 324 G HA3 -0.300 3.665 3.960 0.007 0.000 0.217 324 G C 1.388 175.833 174.900 -0.757 0.000 1.168 324 G CA 0.860 45.382 45.100 -0.962 0.000 0.771 324 G HN 0.431 nan 8.290 nan 0.000 0.551 325 Q N -0.385 119.064 119.800 -0.585 0.000 2.084 325 Q HA -0.115 4.229 4.340 0.007 0.000 0.202 325 Q C 2.746 178.693 176.000 -0.089 0.000 0.978 325 Q CA 1.392 57.093 55.803 -0.169 0.000 0.844 325 Q CB -0.159 28.516 28.738 -0.106 0.000 0.898 325 Q HN 0.572 nan 8.270 nan 0.000 0.426 326 Q N 0.100 119.831 119.800 -0.116 0.000 2.046 326 Q HA -0.129 4.215 4.340 0.007 0.000 0.200 326 Q C 1.822 177.788 176.000 -0.057 0.000 0.975 326 Q CA 1.022 56.783 55.803 -0.070 0.000 0.836 326 Q CB 0.066 28.764 28.738 -0.066 0.000 0.896 326 Q HN 0.352 nan 8.270 nan 0.000 0.428 327 N N 0.280 118.937 118.700 -0.072 0.000 2.244 327 N HA -0.097 4.647 4.740 0.007 0.000 0.183 327 N C 1.540 177.042 175.510 -0.012 0.000 1.016 327 N CA 1.137 54.158 53.050 -0.048 0.000 0.866 327 N CB -0.249 38.206 38.487 -0.053 0.000 0.980 327 N HN 0.222 nan 8.380 nan 0.000 0.430 328 A N 1.646 124.482 122.820 0.027 0.000 1.883 328 A HA -0.138 4.186 4.320 0.007 0.000 0.217 328 A C 2.281 179.882 177.584 0.028 0.000 1.186 328 A CA 1.209 53.291 52.037 0.076 0.000 0.624 328 A CB -0.401 18.703 19.000 0.174 0.000 0.822 328 A HN 0.226 nan 8.150 nan 0.000 0.444 329 R N -1.332 119.173 120.500 0.009 0.000 2.073 329 R HA -0.071 4.273 4.340 0.007 0.000 0.234 329 R C 1.946 178.234 176.300 -0.021 0.000 1.134 329 R CA 1.244 57.341 56.100 -0.005 0.000 0.952 329 R CB -0.567 29.726 30.300 -0.013 0.000 0.850 329 R HN 0.391 nan 8.270 nan 0.000 0.433 330 L N 1.507 122.710 121.223 -0.035 0.000 2.187 330 L HA -0.163 4.181 4.340 0.007 0.000 0.213 330 L C 1.249 178.084 176.870 -0.058 0.000 1.100 330 L CA 1.678 56.485 54.840 -0.056 0.000 0.765 330 L CB -0.585 41.430 42.059 -0.073 0.000 0.904 330 L HN 0.220 nan 8.230 nan 0.000 0.437 331 N N -0.786 117.891 118.700 -0.039 0.000 2.230 331 N HA 0.105 4.849 4.740 0.007 0.000 0.202 331 N C 0.937 176.435 175.510 -0.019 0.000 1.119 331 N CA 0.790 53.819 53.050 -0.035 0.000 0.851 331 N CB 0.572 39.043 38.487 -0.027 0.000 0.990 331 N HN 0.336 nan 8.380 nan 0.000 0.497 332 G N 1.518 110.309 108.800 -0.014 0.000 2.246 332 G HA2 -0.250 3.714 3.960 0.007 0.000 0.273 332 G HA3 -0.250 3.714 3.960 0.007 0.000 0.273 332 G C -0.228 174.674 174.900 0.003 0.000 1.055 332 G CA -0.119 44.976 45.100 -0.008 0.000 0.851 332 G HN 0.272 nan 8.290 nan 0.000 0.500 333 L N -0.181 121.049 121.223 0.013 0.000 2.283 333 L HA 0.389 4.733 4.340 0.007 0.000 0.281 333 L C 1.271 178.156 176.870 0.025 0.000 1.033 333 L CA -0.551 54.303 54.840 0.023 0.000 0.848 333 L CB 1.199 43.282 42.059 0.040 0.000 1.226 333 L HN 0.299 nan 8.230 nan 0.000 0.429 334 Q N 1.052 120.861 119.800 0.015 0.000 2.356 334 Q HA 0.031 4.375 4.340 0.007 0.000 0.205 334 Q C 0.780 176.786 176.000 0.010 0.000 0.901 334 Q CA 0.075 55.886 55.803 0.013 0.000 0.938 334 Q CB 0.297 29.040 28.738 0.009 0.000 1.081 334 Q HN 0.671 nan 8.270 nan 0.000 0.517 335 N N 0.222 118.927 118.700 0.008 0.000 2.273 335 N HA 0.064 4.808 4.740 0.007 0.000 0.231 335 N C -0.629 174.872 175.510 -0.015 0.000 1.134 335 N CA -0.069 52.983 53.050 0.003 0.000 0.856 335 N CB 1.009 39.502 38.487 0.009 0.000 1.068 335 N HN 0.005 nan 8.380 nan 0.000 0.510 336 V N -0.045 119.849 119.914 -0.033 0.000 2.656 336 V HA 0.645 4.769 4.120 0.007 0.000 0.307 336 V C -1.103 174.899 176.094 -0.154 0.000 1.051 336 V CA -0.145 62.084 62.300 -0.117 0.000 0.893 336 V CB 1.996 33.741 31.823 -0.131 0.000 0.999 336 V HN 0.249 nan 8.190 nan 0.000 0.426 337 T N 6.951 121.337 114.554 -0.281 0.000 2.861 337 T HA 0.660 5.015 4.350 0.007 0.000 0.287 337 T C -1.164 173.195 174.700 -0.568 0.000 1.003 337 T CA -0.052 61.853 62.100 -0.325 0.000 0.977 337 T CB 1.276 69.976 68.868 -0.279 0.000 0.996 337 T HN 0.441 nan 8.240 nan 0.000 0.448 338 F N 1.936 121.636 119.950 -0.417 0.000 2.482 338 F HA 0.613 5.143 4.527 0.006 0.000 0.331 338 F C -0.679 174.811 175.800 -0.518 0.000 1.115 338 F CA -0.861 56.939 58.000 -0.333 0.000 0.955 338 F CB 1.434 40.330 39.000 -0.172 0.000 1.136 338 F HN 0.489 nan 8.300 nan 0.000 0.452 339 Y N 1.509 121.768 120.300 -0.068 0.000 2.409 339 Y HA 0.256 4.809 4.550 0.005 0.000 0.343 339 Y C -0.010 175.892 175.900 0.003 0.000 0.973 339 Y CA -0.993 57.051 58.100 -0.092 0.000 1.064 339 Y CB 1.224 39.455 38.460 -0.383 0.000 1.207 339 Y HN 0.490 nan 8.280 nan 0.000 0.452 340 H N 4.944 124.098 119.070 0.139 0.000 2.864 340 H HA 0.256 4.815 4.556 0.004 0.000 0.281 340 H C -0.961 174.436 175.328 0.116 0.000 1.093 340 H CA 0.085 56.191 56.048 0.097 0.000 1.453 340 H CB 0.434 30.241 29.762 0.075 0.000 1.462 340 H HN 0.752 nan 8.280 nan 0.000 0.480 341 E N 3.587 123.604 120.200 -0.306 0.000 2.393 341 E HA 0.065 4.419 4.350 0.007 0.000 0.273 341 E C -0.711 175.715 176.600 -0.290 0.000 0.918 341 E CA -1.126 55.147 56.400 -0.211 0.000 0.773 341 E CB 1.664 31.371 29.700 0.011 0.000 1.275 341 E HN 0.566 nan 8.360 nan 0.000 0.451 342 N N 1.922 120.526 118.700 -0.159 0.000 2.482 342 N HA 0.116 4.861 4.740 0.007 0.000 0.242 342 N C 0.410 175.881 175.510 -0.064 0.000 1.100 342 N CA -0.001 52.991 53.050 -0.098 0.000 0.946 342 N CB 0.109 38.573 38.487 -0.039 0.000 1.227 342 N HN 0.451 nan 8.380 nan 0.000 0.508 343 L N 2.078 123.250 121.223 -0.085 0.000 2.622 343 L HA 0.017 4.361 4.340 0.007 0.000 0.233 343 L C 1.357 178.233 176.870 0.011 0.000 1.156 343 L CA 0.568 55.352 54.840 -0.094 0.000 0.866 343 L CB -0.056 41.818 42.059 -0.308 0.000 0.980 343 L HN 0.555 nan 8.230 nan 0.000 0.448 344 E N -0.246 119.969 120.200 0.025 0.000 2.481 344 E HA 0.001 4.355 4.350 0.007 0.000 0.195 344 E C 0.391 176.999 176.600 0.013 0.000 1.047 344 E CA 0.175 56.595 56.400 0.033 0.000 0.867 344 E CB 0.442 30.162 29.700 0.034 0.000 0.858 344 E HN 0.501 nan 8.360 nan 0.000 0.513 345 E N 0.367 120.567 120.200 -0.001 0.000 2.316 345 E HA 0.107 4.461 4.350 0.007 0.000 0.258 345 E C -1.096 175.490 176.600 -0.022 0.000 0.952 345 E CA -0.767 55.627 56.400 -0.009 0.000 0.818 345 E CB 1.230 30.924 29.700 -0.010 0.000 1.260 345 E HN -0.160 nan 8.360 nan 0.000 0.416 346 D N 0.926 121.306 120.400 -0.033 0.000 2.352 346 D HA 0.049 4.694 4.640 0.007 0.000 0.245 346 D C 0.111 176.359 176.300 -0.087 0.000 1.224 346 D CA -0.138 53.830 54.000 -0.053 0.000 0.879 346 D CB 0.985 41.754 40.800 -0.052 0.000 1.057 346 D HN 0.204 nan 8.370 nan 0.000 0.491 347 V N 1.718 121.568 119.914 -0.107 0.000 3.214 347 V HA 0.158 4.282 4.120 0.007 0.000 0.330 347 V C 1.341 177.212 176.094 -0.372 0.000 1.403 347 V CA 0.567 62.748 62.300 -0.198 0.000 1.143 347 V CB -0.364 31.432 31.823 -0.045 0.000 1.098 347 V HN 0.579 nan 8.190 nan 0.000 0.463 348 T N -3.713 110.693 114.554 -0.246 0.000 3.067 348 T HA 0.023 4.378 4.350 0.007 0.000 0.261 348 T C 1.694 176.231 174.700 -0.273 0.000 1.110 348 T CA 0.875 62.825 62.100 -0.250 0.000 1.113 348 T CB -0.234 68.557 68.868 -0.129 0.000 0.917 348 T HN 0.415 nan 8.240 nan 0.000 0.499 349 K N 0.670 120.922 120.400 -0.247 0.000 2.152 349 K HA -0.029 4.295 4.320 0.007 0.000 0.206 349 K C 0.784 177.201 176.600 -0.305 0.000 1.048 349 K CA 0.801 56.956 56.287 -0.219 0.000 0.933 349 K CB -0.068 32.336 32.500 -0.161 0.000 0.721 349 K HN 0.458 nan 8.250 nan 0.000 0.447 350 Q N 0.164 119.662 119.800 -0.503 0.000 2.392 350 Q HA 0.012 4.356 4.340 0.007 0.000 0.262 350 Q C -1.809 173.837 176.000 -0.590 0.000 1.003 350 Q CA -1.283 54.136 55.803 -0.639 0.000 0.888 350 Q CB 0.224 28.297 28.738 -1.109 0.000 1.260 350 Q HN 0.016 nan 8.270 nan 0.000 0.435 351 P HA -0.178 nan 4.420 nan 0.000 0.217 351 P C 1.119 178.329 177.300 -0.151 0.000 1.148 351 P CA 1.449 64.433 63.100 -0.192 0.000 0.828 351 P CB -0.163 31.502 31.700 -0.059 0.000 0.783 352 W N -0.769 120.438 121.300 -0.156 0.000 2.465 352 W HA 0.171 4.835 4.660 0.007 0.000 0.268 352 W C 1.539 178.042 176.519 -0.026 0.000 1.242 352 W CA 0.593 57.864 57.345 -0.122 0.000 1.248 352 W CB -1.540 27.705 29.460 -0.358 0.000 1.118 352 W HN -0.104 nan 8.180 nan 0.000 0.587 353 A N 2.832 125.490 122.820 -0.270 0.000 1.930 353 A HA -0.263 4.061 4.320 0.007 0.000 0.217 353 A C 2.055 179.559 177.584 -0.133 0.000 1.175 353 A CA 2.500 54.467 52.037 -0.117 0.000 0.627 353 A CB -0.704 18.080 19.000 -0.361 0.000 0.815 353 A HN 0.285 nan 8.150 nan 0.000 0.443 354 K N 0.387 120.693 120.400 -0.156 0.000 2.211 354 K HA -0.100 4.225 4.320 0.007 0.000 0.204 354 K C 1.125 177.645 176.600 -0.133 0.000 1.047 354 K CA 1.972 58.182 56.287 -0.128 0.000 0.935 354 K CB -0.778 31.658 32.500 -0.106 0.000 0.728 354 K HN 0.347 nan 8.250 nan 0.000 0.452 355 N N 0.431 119.028 118.700 -0.170 0.000 2.459 355 N HA 0.095 4.840 4.740 0.007 0.000 0.181 355 N C 0.235 175.590 175.510 -0.259 0.000 1.046 355 N CA 1.149 54.088 53.050 -0.184 0.000 0.904 355 N CB 0.364 38.745 38.487 -0.178 0.000 0.964 355 N HN 0.570 nan 8.380 nan 0.000 0.444 356 G N -1.054 107.516 108.800 -0.382 0.000 2.756 356 G HA2 -0.161 3.803 3.960 0.007 0.000 0.678 356 G HA3 -0.161 3.803 3.960 0.007 0.000 0.678 356 G C -1.069 173.444 174.900 -0.645 0.000 1.349 356 G CA -0.762 44.139 45.100 -0.330 0.000 0.847 356 G HN 0.077 nan 8.290 nan 0.000 0.548 357 F N 0.003 119.980 119.950 0.045 0.000 2.556 357 F HA 0.492 5.024 4.527 0.010 0.000 0.314 357 F C 0.929 176.758 175.800 0.049 0.000 1.106 357 F CA -0.836 57.195 58.000 0.052 0.000 0.911 357 F CB 2.206 41.243 39.000 0.062 0.000 1.190 357 F HN 0.418 nan 8.300 nan 0.000 0.448 358 D N 0.875 121.403 120.400 0.214 0.000 2.271 358 D HA 0.027 4.671 4.640 0.007 0.000 0.206 358 D C 0.220 176.617 176.300 0.162 0.000 0.967 358 D CA 1.107 55.197 54.000 0.151 0.000 0.867 358 D CB 0.490 41.355 40.800 0.108 0.000 0.960 358 D HN 0.226 nan 8.370 nan 0.000 0.509 359 K N 0.561 121.069 120.400 0.181 0.000 2.498 359 K HA 0.532 4.857 4.320 0.007 0.000 0.254 359 K C -0.965 175.679 176.600 0.074 0.000 0.933 359 K CA -0.744 55.618 56.287 0.124 0.000 0.806 359 K CB 3.328 35.892 32.500 0.106 0.000 1.301 359 K HN -0.254 nan 8.250 nan 0.000 0.432 360 V N 2.585 122.511 119.914 0.020 0.000 2.760 360 V HA 0.500 4.624 4.120 0.007 0.000 0.309 360 V C -0.928 175.125 176.094 -0.068 0.000 1.077 360 V CA -0.964 61.294 62.300 -0.070 0.000 0.910 360 V CB 2.460 34.225 31.823 -0.095 0.000 1.008 360 V HN 0.683 nan 8.190 nan 0.000 0.424 361 L N 6.313 127.462 121.223 -0.123 0.000 2.365 361 L HA 0.864 5.208 4.340 0.007 0.000 0.273 361 L C -1.162 175.602 176.870 -0.177 0.000 1.000 361 L CA -0.507 54.231 54.840 -0.170 0.000 0.819 361 L CB 1.672 43.569 42.059 -0.271 0.000 1.284 361 L HN 0.743 nan 8.230 nan 0.000 0.418 362 L N 1.303 122.419 121.223 -0.179 0.000 2.422 362 L HA 0.742 5.086 4.340 0.007 0.000 0.264 362 L C -1.520 175.251 176.870 -0.164 0.000 0.984 362 L CA -0.576 54.191 54.840 -0.121 0.000 0.819 362 L CB 2.112 44.099 42.059 -0.121 0.000 1.330 362 L HN 0.480 nan 8.230 nan 0.000 0.410 363 D N 3.175 123.558 120.400 -0.029 0.000 2.552 363 D HA 0.412 5.056 4.640 0.007 0.000 0.285 363 D C -2.604 173.607 176.300 -0.148 0.000 1.206 363 D CA -1.340 52.650 54.000 -0.016 0.000 0.826 363 D CB 1.298 42.196 40.800 0.165 0.000 1.179 363 D HN 0.466 nan 8.370 nan 0.000 0.508 364 P HA 0.396 nan 4.420 nan 0.000 0.289 364 P C -0.167 176.881 177.300 -0.420 0.000 1.299 364 P CA -0.488 62.030 63.100 -0.970 0.000 0.766 364 P CB 0.832 31.803 31.700 -1.215 0.000 1.226 365 A N -0.014 122.575 122.820 -0.384 0.000 2.301 365 A HA 0.284 4.608 4.320 0.007 0.000 0.287 365 A C 1.815 179.330 177.584 -0.116 0.000 1.274 365 A CA -0.047 51.882 52.037 -0.180 0.000 0.865 365 A CB -0.382 18.534 19.000 -0.141 0.000 1.324 365 A HN 0.488 nan 8.150 nan 0.000 0.508 366 R N -0.994 119.472 120.500 -0.056 0.000 2.119 366 R HA -0.189 4.155 4.340 0.007 0.000 0.246 366 R C 1.890 178.180 176.300 -0.017 0.000 1.146 366 R CA 2.709 58.799 56.100 -0.017 0.000 0.962 366 R CB -0.910 29.385 30.300 -0.008 0.000 0.863 366 R HN 0.744 nan 8.270 nan 0.000 0.442 367 A N -0.468 122.330 122.820 -0.036 0.000 2.019 367 A HA 0.197 4.521 4.320 0.007 0.000 0.219 367 A C 1.317 178.890 177.584 -0.017 0.000 1.164 367 A CA 1.385 53.408 52.037 -0.024 0.000 0.644 367 A CB -0.952 18.032 19.000 -0.025 0.000 0.805 367 A HN 0.845 nan 8.150 nan 0.000 0.449 368 G N -2.527 106.245 108.800 -0.047 0.000 2.627 368 G HA2 0.312 4.276 3.960 0.007 0.000 0.214 368 G HA3 0.312 4.276 3.960 0.007 0.000 0.214 368 G C 0.262 175.112 174.900 -0.083 0.000 1.331 368 G CA -0.076 45.016 45.100 -0.013 0.000 0.891 368 G HN 1.652 nan 8.290 nan 0.000 0.539 369 A N -0.939 121.874 122.820 -0.012 0.000 2.749 369 A HA 0.860 5.184 4.320 0.007 0.000 0.299 369 A C 1.698 179.318 177.584 0.059 0.000 1.105 369 A CA 1.249 53.297 52.037 0.019 0.000 0.987 369 A CB -0.287 18.690 19.000 -0.039 0.000 1.180 369 A HN 2.410 nan 8.150 nan 0.000 0.528 370 A N 0.334 123.184 122.820 0.050 0.000 1.859 370 A HA 0.035 4.360 4.320 0.007 0.000 0.217 370 A C 2.267 179.870 177.584 0.032 0.000 1.198 370 A CA 2.183 54.245 52.037 0.041 0.000 0.629 370 A CB -1.230 17.789 19.000 0.031 0.000 0.830 370 A HN 1.063 nan 8.150 nan 0.000 0.446 371 G N -0.947 107.873 108.800 0.034 0.000 2.479 371 G HA2 0.119 4.084 3.960 0.007 0.000 0.220 371 G HA3 0.119 4.084 3.960 0.007 0.000 0.220 371 G C 0.865 175.777 174.900 0.019 0.000 1.115 371 G CA 0.989 46.103 45.100 0.023 0.000 0.757 371 G HN 0.363 nan 8.290 nan 0.000 0.560 375 Q N 0.958 120.746 119.800 -0.021 0.000 2.050 375 Q HA 0.022 4.366 4.340 0.007 0.000 0.202 375 Q C 2.093 178.082 176.000 -0.018 0.000 0.980 375 Q CA 1.527 57.316 55.803 -0.025 0.000 0.840 375 Q CB 0.036 28.755 28.738 -0.032 0.000 0.898 375 Q HN 0.334 nan 8.270 nan 0.000 0.424 376 I N 0.564 121.114 120.570 -0.035 0.000 2.208 376 I HA -0.301 3.873 4.170 0.007 0.000 0.245 376 I C 2.215 178.329 176.117 -0.005 0.000 1.097 376 I CA 1.166 62.441 61.300 -0.042 0.000 1.363 376 I CB -0.302 37.634 38.000 -0.106 0.000 1.051 376 I HN 0.209 nan 8.210 nan 0.000 0.413 377 I N 0.534 121.103 120.570 -0.002 0.000 2.179 377 I HA -0.307 3.868 4.170 0.007 0.000 0.242 377 I C 2.600 178.763 176.117 0.077 0.000 1.088 377 I CA 1.418 62.760 61.300 0.071 0.000 1.357 377 I CB -0.403 37.630 38.000 0.056 0.000 1.051 377 I HN 0.135 nan 8.210 nan 0.000 0.409 378 K N 0.646 121.069 120.400 0.039 0.000 2.113 378 K HA -0.194 4.131 4.320 0.007 0.000 0.208 378 K C 2.025 178.653 176.600 0.046 0.000 1.047 378 K CA 1.452 57.757 56.287 0.029 0.000 0.928 378 K CB -0.227 32.275 32.500 0.004 0.000 0.716 378 K HN 0.343 nan 8.250 nan 0.000 0.446 379 L N 0.776 122.041 121.223 0.070 0.000 2.291 379 L HA -0.072 4.272 4.340 0.007 0.000 0.214 379 L C 0.098 177.045 176.870 0.128 0.000 1.120 379 L CA 0.560 55.469 54.840 0.114 0.000 0.799 379 L CB -0.408 41.754 42.059 0.170 0.000 0.925 379 L HN 0.264 nan 8.230 nan 0.000 0.446 380 E N -1.396 118.886 120.200 0.136 0.000 2.297 380 E HA -0.183 4.172 4.350 0.007 0.000 0.228 380 E C -2.087 174.618 176.600 0.174 0.000 1.213 380 E CA -0.230 56.263 56.400 0.154 0.000 0.712 380 E CB -1.891 27.858 29.700 0.082 0.000 1.202 380 E HN 0.384 nan 8.360 nan 0.000 0.376 381 P HA -0.014 nan 4.420 nan 0.000 0.271 381 P C 1.254 178.705 177.300 0.251 0.000 1.218 381 P CA 0.057 63.281 63.100 0.206 0.000 0.780 381 P CB 0.572 32.373 31.700 0.168 0.000 0.901 382 I N -0.866 119.813 120.570 0.182 0.000 2.761 382 I HA 0.104 4.279 4.170 0.007 0.000 0.261 382 I C 0.580 176.831 176.117 0.223 0.000 1.198 382 I CA 0.693 62.093 61.300 0.166 0.000 1.482 382 I CB -0.143 37.912 38.000 0.093 0.000 1.100 382 I HN 0.207 nan 8.210 nan 0.000 0.445 383 R N 1.164 121.789 120.500 0.208 0.000 2.698 383 R HA 0.758 5.103 4.340 0.007 0.000 0.275 383 R C -1.384 175.010 176.300 0.155 0.000 1.001 383 R CA -0.719 55.500 56.100 0.197 0.000 0.896 383 R CB 2.975 33.361 30.300 0.143 0.000 1.218 383 R HN 0.075 nan 8.270 nan 0.000 0.462 384 I N 1.618 122.282 120.570 0.157 0.000 2.569 384 I HA 0.380 4.554 4.170 0.007 0.000 0.290 384 I C -0.779 175.471 176.117 0.222 0.000 1.088 384 I CA -1.085 60.283 61.300 0.114 0.000 1.047 384 I CB 2.507 40.494 38.000 -0.021 0.000 1.237 384 I HN 0.161 nan 8.210 nan 0.000 0.421 385 V N 6.063 126.075 119.914 0.163 0.000 2.495 385 V HA 0.375 4.499 4.120 0.007 0.000 0.298 385 V C -1.211 174.997 176.094 0.189 0.000 1.031 385 V CA -0.645 61.778 62.300 0.204 0.000 0.871 385 V CB 1.923 33.827 31.823 0.135 0.000 0.988 385 V HN 0.586 nan 8.190 nan 0.000 0.432 386 Y N 4.191 124.569 120.300 0.130 0.000 2.338 386 Y HA 0.684 5.237 4.550 0.004 0.000 0.333 386 Y C -0.727 175.212 175.900 0.066 0.000 0.968 386 Y CA -0.909 57.251 58.100 0.100 0.000 1.123 386 Y CB 1.888 40.483 38.460 0.225 0.000 1.165 386 Y HN 0.422 nan 8.280 nan 0.000 0.452 387 V N 5.318 125.454 119.914 0.371 0.000 2.394 387 V HA 0.452 4.576 4.120 0.007 0.000 0.282 387 V C -0.312 175.987 176.094 0.342 0.000 1.031 387 V CA -0.381 62.077 62.300 0.263 0.000 0.881 387 V CB 1.387 33.304 31.823 0.157 0.000 0.982 387 V HN 0.745 nan 8.190 nan 0.000 0.451 388 S N 2.775 118.623 115.700 0.247 0.000 2.536 388 S HA 0.366 4.840 4.470 0.007 0.000 0.287 388 S C 0.444 175.119 174.600 0.125 0.000 1.101 388 S CA -0.326 58.001 58.200 0.211 0.000 0.950 388 S CB 1.532 64.793 63.200 0.102 0.000 1.056 388 S HN 1.006 nan 8.310 nan 0.000 0.481 389 C N 2.622 121.987 119.300 0.109 0.000 2.855 389 C HA 0.554 5.019 4.460 0.007 0.000 0.279 389 C C 0.378 175.428 174.990 0.100 0.000 1.270 389 C CA -0.607 58.477 59.018 0.110 0.000 1.702 389 C CB -1.848 25.956 27.740 0.106 0.000 1.949 389 C HN 0.683 nan 8.230 nan 0.000 0.618 390 N N 1.454 120.198 118.700 0.073 0.000 2.609 390 N HA 0.325 5.069 4.740 0.007 0.000 0.268 390 N C -1.945 173.582 175.510 0.030 0.000 1.106 390 N CA -1.795 51.289 53.050 0.056 0.000 0.823 390 N CB 1.710 40.224 38.487 0.045 0.000 1.263 390 N HN 0.042 nan 8.380 nan 0.000 0.533 391 P HA -0.065 nan 4.420 nan 0.000 0.222 391 P C 0.991 178.286 177.300 -0.009 0.000 1.147 391 P CA 0.745 63.842 63.100 -0.005 0.000 0.790 391 P CB 0.367 32.068 31.700 0.001 0.000 0.780 392 A N 0.724 123.550 122.820 0.011 0.000 1.877 392 A HA -0.167 4.157 4.320 0.007 0.000 0.216 392 A C 2.363 179.949 177.584 0.004 0.000 1.186 392 A CA 2.808 54.851 52.037 0.011 0.000 0.620 392 A CB -1.939 17.074 19.000 0.022 0.000 0.822 392 A HN 0.373 nan 8.150 nan 0.000 0.443 393 T N -1.857 112.703 114.554 0.010 0.000 2.904 393 T HA -0.093 4.261 4.350 0.007 0.000 0.267 393 T C 1.755 176.450 174.700 -0.009 0.000 1.059 393 T CA 1.339 63.450 62.100 0.017 0.000 1.137 393 T CB -0.478 68.413 68.868 0.038 0.000 0.879 393 T HN 0.267 nan 8.240 nan 0.000 0.467 394 L N 1.890 123.069 121.223 -0.073 0.000 2.046 394 L HA 0.209 4.553 4.340 0.007 0.000 0.208 394 L C 2.767 179.551 176.870 -0.143 0.000 1.077 394 L CA 1.843 56.536 54.840 -0.245 0.000 0.747 394 L CB -1.222 40.666 42.059 -0.285 0.000 0.896 394 L HN 0.332 nan 8.230 nan 0.000 0.432 395 A N -0.390 122.393 122.820 -0.062 0.000 1.930 395 A HA -0.165 4.160 4.320 0.007 0.000 0.217 395 A C 2.408 179.990 177.584 -0.003 0.000 1.175 395 A CA 1.576 53.601 52.037 -0.021 0.000 0.627 395 A CB -0.492 18.504 19.000 -0.007 0.000 0.815 395 A HN 0.521 nan 8.150 nan 0.000 0.443 396 R N -0.313 120.186 120.500 -0.002 0.000 2.075 396 R HA -0.094 4.251 4.340 0.007 0.000 0.232 396 R C 1.414 177.720 176.300 0.010 0.000 1.126 396 R CA 1.408 57.514 56.100 0.009 0.000 0.963 396 R CB -0.351 29.958 30.300 0.015 0.000 0.858 396 R HN 0.437 nan 8.270 nan 0.000 0.435 397 D N 0.083 120.492 120.400 0.015 0.000 2.178 397 D HA -0.056 4.589 4.640 0.007 0.000 0.202 397 D C 1.841 178.121 176.300 -0.034 0.000 0.974 397 D CA 1.057 55.076 54.000 0.031 0.000 0.841 397 D CB -0.097 40.802 40.800 0.165 0.000 0.953 397 D HN 0.022 nan 8.370 nan 0.000 0.478 398 S N 0.529 116.214 115.700 -0.026 0.000 2.382 398 S HA -0.183 4.291 4.470 0.007 0.000 0.228 398 S C 1.809 176.411 174.600 0.003 0.000 1.027 398 S CA 0.888 59.095 58.200 0.011 0.000 0.991 398 S CB -0.114 63.200 63.200 0.191 0.000 0.823 398 S HN 0.384 nan 8.310 nan 0.000 0.469 399 E N 1.253 121.462 120.200 0.016 0.000 2.118 399 E HA -0.191 4.164 4.350 0.007 0.000 0.195 399 E C 2.072 178.675 176.600 0.004 0.000 0.992 399 E CA 1.112 57.526 56.400 0.022 0.000 0.804 399 E CB -0.221 29.491 29.700 0.020 0.000 0.741 399 E HN 0.507 nan 8.360 nan 0.000 0.458 400 A N 0.881 123.687 122.820 -0.023 0.000 1.930 400 A HA -0.097 4.227 4.320 0.007 0.000 0.217 400 A C 2.189 179.751 177.584 -0.036 0.000 1.175 400 A CA 0.910 52.932 52.037 -0.025 0.000 0.627 400 A CB -0.493 18.488 19.000 -0.032 0.000 0.815 400 A HN 0.293 nan 8.150 nan 0.000 0.443 401 L N -0.589 120.559 121.223 -0.125 0.000 2.093 401 L HA -0.128 4.217 4.340 0.007 0.000 0.208 401 L C 2.456 179.377 176.870 0.084 0.000 1.085 401 L CA 0.765 55.517 54.840 -0.145 0.000 0.755 401 L CB -0.515 41.154 42.059 -0.650 0.000 0.904 401 L HN 0.361 nan 8.230 nan 0.000 0.435 402 L N -0.340 120.924 121.223 0.069 0.000 2.083 402 L HA -0.190 4.154 4.340 0.007 0.000 0.209 402 L C 2.613 179.534 176.870 0.086 0.000 1.083 402 L CA 1.146 56.058 54.840 0.120 0.000 0.752 402 L CB -0.539 41.587 42.059 0.112 0.000 0.899 402 L HN 0.230 nan 8.230 nan 0.000 0.433 403 K N 0.314 120.750 120.400 0.059 0.000 2.283 403 K HA -0.043 4.281 4.320 0.007 0.000 0.202 403 K C 1.619 178.246 176.600 0.046 0.000 1.048 403 K CA 1.259 57.571 56.287 0.043 0.000 0.948 403 K CB -0.071 32.446 32.500 0.029 0.000 0.742 403 K HN 0.265 nan 8.250 nan 0.000 0.458 404 A N 0.235 123.102 122.820 0.079 0.000 2.460 404 A HA 0.387 4.711 4.320 0.007 0.000 0.258 404 A C 1.075 178.674 177.584 0.024 0.000 1.300 404 A CA 0.543 52.626 52.037 0.076 0.000 0.913 404 A CB 0.124 19.199 19.000 0.125 0.000 1.031 404 A HN 0.339 nan 8.150 nan 0.000 0.512 405 G N -1.996 106.809 108.800 0.010 0.000 2.163 405 G HA2 -0.228 3.736 3.960 0.007 0.000 0.213 405 G HA3 -0.228 3.736 3.960 0.007 0.000 0.213 405 G C -0.140 174.657 174.900 -0.171 0.000 0.991 405 G CA -0.097 44.946 45.100 -0.096 0.000 0.653 405 G HN 0.351 nan 8.290 nan 0.000 0.518 406 Y N 0.458 120.779 120.300 0.034 0.000 2.335 406 Y HA 0.693 5.248 4.550 0.009 0.000 0.323 406 Y C 0.960 176.924 175.900 0.108 0.000 1.224 406 Y CA 0.496 58.641 58.100 0.075 0.000 1.241 406 Y CB 1.840 40.345 38.460 0.075 0.000 1.235 406 Y HN 0.114 nan 8.280 nan 0.000 0.492 407 T N 2.258 116.969 114.554 0.263 0.000 2.924 407 T HA 0.533 4.887 4.350 0.007 0.000 0.291 407 T C -0.634 174.142 174.700 0.125 0.000 1.045 407 T CA -0.807 61.394 62.100 0.168 0.000 1.015 407 T CB 0.494 69.403 68.868 0.069 0.000 1.103 407 T HN 0.463 nan 8.240 nan 0.000 0.496 408 I N 3.897 124.440 120.570 -0.045 0.000 2.483 408 I HA 0.216 4.391 4.170 0.007 0.000 0.291 408 I C 1.407 177.292 176.117 -0.388 0.000 1.112 408 I CA -0.273 60.796 61.300 -0.385 0.000 1.350 408 I CB 0.762 38.422 38.000 -0.568 0.000 1.419 408 I HN 0.827 nan 8.210 nan 0.000 0.523 409 A N 7.365 129.957 122.820 -0.380 0.000 1.943 409 A HA 0.231 4.556 4.320 0.007 0.000 0.213 409 A C 1.051 178.369 177.584 -0.443 0.000 1.181 409 A CA 0.717 52.562 52.037 -0.320 0.000 0.653 409 A CB 0.323 19.164 19.000 -0.266 0.000 0.833 409 A HN 0.606 nan 8.150 nan 0.000 0.451 410 R N -1.606 118.501 120.500 -0.656 0.000 2.643 410 R HA 0.592 4.937 4.340 0.007 0.000 0.269 410 R C -2.285 173.622 176.300 -0.655 0.000 1.037 410 R CA -0.537 55.111 56.100 -0.754 0.000 0.894 410 R CB 1.538 30.980 30.300 -1.429 0.000 1.238 410 R HN 0.249 nan 8.270 nan 0.000 0.459 411 L N 0.907 121.941 121.223 -0.315 0.000 2.470 411 L HA 0.817 5.161 4.340 0.007 0.000 0.268 411 L C -1.341 175.610 176.870 0.135 0.000 0.964 411 L CA -0.240 54.549 54.840 -0.084 0.000 0.839 411 L CB 1.967 43.952 42.059 -0.124 0.000 1.276 411 L HN 0.856 nan 8.230 nan 0.000 0.403 418 P HA 0.077 nan 4.420 nan 0.000 0.264 418 P C -0.005 177.146 177.300 -0.250 0.000 1.179 418 P CA 1.195 63.975 63.100 -0.533 0.000 0.763 418 P CB 0.202 31.412 31.700 -0.816 0.000 0.806 419 H N -2.051 116.992 119.070 -0.045 0.000 3.642 419 H HA -0.162 4.398 4.556 0.006 0.000 0.185 419 H C 0.584 175.999 175.328 0.144 0.000 0.992 419 H CA 1.460 57.524 56.048 0.027 0.000 1.216 419 H CB -2.411 27.340 29.762 -0.018 0.000 1.055 419 H HN 0.579 nan 8.280 nan 0.000 0.351 420 T N -3.191 111.486 114.554 0.204 0.000 2.922 420 T HA 0.565 4.919 4.350 0.007 0.000 0.281 420 T C 1.613 176.380 174.700 0.112 0.000 1.005 420 T CA -0.373 61.837 62.100 0.184 0.000 0.982 420 T CB 2.019 71.010 68.868 0.204 0.000 1.158 420 T HN 0.313 nan 8.240 nan 0.000 0.566 421 G N -0.746 108.087 108.800 0.055 0.000 2.848 421 G HA2 0.080 4.044 3.960 0.007 0.000 0.208 421 G HA3 0.080 4.044 3.960 0.007 0.000 0.208 421 G C 0.595 175.500 174.900 0.009 0.000 1.152 421 G CA -0.133 44.998 45.100 0.052 0.000 0.789 421 G HN 0.778 nan 8.290 nan 0.000 0.531 422 H N -0.365 118.754 119.070 0.081 0.000 2.790 422 H HA 0.178 4.731 4.556 -0.005 0.000 0.358 422 H C -0.574 174.801 175.328 0.078 0.000 1.103 422 H CA 0.142 56.238 56.048 0.080 0.000 1.426 422 H CB 2.050 31.892 29.762 0.134 0.000 1.424 422 H HN 0.038 nan 8.280 nan 0.000 0.599 423 L N 3.803 125.155 121.223 0.215 0.000 2.529 423 L HA 0.270 4.614 4.340 0.007 0.000 0.258 423 L C -0.670 176.271 176.870 0.118 0.000 1.032 423 L CA -0.533 54.375 54.840 0.113 0.000 0.899 423 L CB 0.724 42.812 42.059 0.048 0.000 1.174 423 L HN 0.533 nan 8.230 nan 0.000 0.458 424 E N 1.475 121.744 120.200 0.116 0.000 2.248 424 E HA 0.834 5.188 4.350 0.007 0.000 0.272 424 E C -0.268 176.364 176.600 0.054 0.000 1.008 424 E CA -0.038 56.419 56.400 0.094 0.000 0.856 424 E CB 1.669 31.427 29.700 0.097 0.000 1.120 424 E HN 0.661 nan 8.360 nan 0.000 0.397 428 L N 4.748 125.757 121.223 -0.357 0.000 2.272 428 L HA 0.785 5.129 4.340 0.007 0.000 0.289 428 L C -1.090 175.519 176.870 -0.435 0.000 1.032 428 L CA 0.365 55.034 54.840 -0.284 0.000 0.810 428 L CB 0.638 42.410 42.059 -0.478 0.000 1.205 428 L HN 0.460 nan 8.230 nan 0.000 0.422 429 F N 3.666 123.589 119.950 -0.045 0.000 2.420 429 F HA 0.704 5.234 4.527 0.005 0.000 0.342 429 F C 0.621 176.484 175.800 0.105 0.000 1.113 429 F CA -0.161 57.840 58.000 0.002 0.000 1.059 429 F CB 1.864 40.834 39.000 -0.048 0.000 1.128 429 F HN 0.614 nan 8.300 nan 0.000 0.475 430 S N 2.281 118.169 115.700 0.313 0.000 2.661 430 S HA 0.690 5.164 4.470 0.007 0.000 0.285 430 S C 0.327 175.049 174.600 0.202 0.000 1.138 430 S CA -1.027 57.353 58.200 0.299 0.000 0.855 430 S CB 2.387 65.659 63.200 0.121 0.000 1.136 430 S HN 0.556 nan 8.310 nan 0.000 0.484 431 R N 0.350 120.872 120.500 0.036 0.000 2.104 431 R HA 0.586 4.930 4.340 0.007 0.000 0.219 431 R C 0.835 177.115 176.300 -0.033 0.000 1.150 431 R CA 1.987 58.020 56.100 -0.111 0.000 0.900 431 R CB -0.860 29.327 30.300 -0.189 0.000 0.804 431 R HN 1.107 nan 8.270 nan 0.000 0.448 432 V N 0.000 119.903 119.914 -0.019 0.000 2.409 432 V HA 0.000 4.124 4.120 0.007 0.000 0.244 432 V CA 0.000 nan 62.300 nan 0.000 1.235 432 V CB 0.000 nan 31.823 nan 0.000 1.184 432 V HN 0.000 nan 8.190 nan 0.000 0.556