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 3img_1_A DATA FIRST_RESID 3 DATA SEQUENCE IPAFHPGELN VYSAPGDVAD VSRALRLTGR RVMLVPTMGA LHEGHLALVR DATA SEQUENCE AAKRVPGSVV VVSIFVNPMQ FGAGGDLDAY PRTPDDDLAQ LRAEGVEIAF DATA SEQUENCE TPTTAAMYPD GLRTTVQPGP LAAELEGGPR PTHFAGVLTV VLKLLQIVRP DATA SEQUENCE DRVFFGEKDY QQLVLIRQLV ADFNLDVAVV GVPTVREADG LAMSSRNRYL DATA SEQUENCE DPAQRAAAVA LSAALTAAAH AATAGAQAAL DAARAVLDAA PGVAVDYLEL DATA SEQUENCE RDIGLGPMPL NGSGRLLVAA RLGTTRLLDN IAIEIGTF 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.090 176.117 -0.045 0.000 1.063 3 I CA 0.000 61.251 61.300 -0.081 0.000 1.566 3 I CB 0.000 37.959 38.000 -0.069 0.000 1.214 4 P HA 0.604 nan 4.420 nan 0.000 0.293 4 P C -0.332 177.002 177.300 0.057 0.000 1.304 4 P CA -0.549 62.568 63.100 0.028 0.000 0.767 4 P CB 0.624 32.372 31.700 0.080 0.000 1.247 5 A N -0.130 122.736 122.820 0.077 0.000 2.477 5 A HA 0.343 4.635 4.320 -0.048 0.000 0.246 5 A C -0.718 176.879 177.584 0.021 0.000 1.078 5 A CA -0.045 51.972 52.037 -0.034 0.000 0.770 5 A CB -0.760 18.160 19.000 -0.132 0.000 1.011 5 A HN 0.501 nan 8.150 nan 0.000 0.494 6 F N 3.957 123.755 119.950 -0.252 0.000 2.553 6 F HA 0.385 4.884 4.527 -0.047 0.000 0.335 6 F C -0.541 175.098 175.800 -0.269 0.000 1.148 6 F CA -0.662 57.236 58.000 -0.170 0.000 0.963 6 F CB 1.159 40.151 39.000 -0.014 0.000 1.217 6 F HN 0.625 nan 8.300 nan 0.000 0.441 7 H N 6.969 125.730 119.070 -0.515 0.000 2.741 7 H HA 0.302 4.829 4.556 -0.048 0.000 0.282 7 H C -2.440 172.408 175.328 -0.800 0.000 1.122 7 H CA -2.049 53.706 56.048 -0.489 0.000 1.293 7 H CB 0.512 30.123 29.762 -0.252 0.000 1.415 7 H HN 0.382 nan 8.280 nan 0.000 0.472 8 P HA 0.035 nan 4.420 nan 0.000 0.272 8 P C 1.065 178.251 177.300 -0.189 0.000 1.230 8 P CA 0.319 63.157 63.100 -0.435 0.000 0.788 8 P CB 0.828 32.477 31.700 -0.085 0.000 0.949 9 G N 0.103 108.843 108.800 -0.100 0.000 2.168 9 G HA2 -0.246 3.685 3.960 -0.048 0.000 0.263 9 G HA3 -0.246 3.685 3.960 -0.048 0.000 0.263 9 G C -0.071 174.790 174.900 -0.065 0.000 0.977 9 G CA 0.282 45.350 45.100 -0.053 0.000 0.659 9 G HN 0.633 nan 8.290 nan 0.000 0.533 10 E N -1.427 118.712 120.200 -0.103 0.000 2.369 10 E HA 0.601 4.922 4.350 -0.048 0.000 0.270 10 E C -0.900 175.658 176.600 -0.069 0.000 0.909 10 E CA -1.233 55.118 56.400 -0.081 0.000 0.775 10 E CB 1.906 31.555 29.700 -0.086 0.000 1.270 10 E HN 0.128 nan 8.360 nan 0.000 0.445 11 L N 2.561 123.759 121.223 -0.043 0.000 2.315 11 L HA 0.247 4.559 4.340 -0.048 0.000 0.283 11 L C -0.915 175.922 176.870 -0.055 0.000 1.089 11 L CA 0.027 54.851 54.840 -0.026 0.000 0.833 11 L CB 0.154 42.201 42.059 -0.019 0.000 1.170 11 L HN 0.363 nan 8.230 nan 0.000 0.442 12 N N 4.832 123.496 118.700 -0.060 0.000 2.425 12 N HA 0.299 5.010 4.740 -0.048 0.000 0.268 12 N C -1.199 174.085 175.510 -0.377 0.000 0.991 12 N CA -0.433 52.492 53.050 -0.208 0.000 0.931 12 N CB 2.129 40.549 38.487 -0.113 0.000 1.130 12 N HN 0.327 nan 8.380 nan 0.000 0.493 13 V N 3.727 123.395 119.914 -0.410 0.000 2.370 13 V HA 0.337 4.428 4.120 -0.048 0.000 0.279 13 V C -0.868 174.974 176.094 -0.421 0.000 1.029 13 V CA -0.532 61.596 62.300 -0.286 0.000 0.870 13 V CB -0.129 31.629 31.823 -0.109 0.000 0.984 13 V HN 0.464 nan 8.190 nan 0.000 0.451 14 Y N 2.068 122.459 120.300 0.152 0.000 2.364 14 Y HA 0.426 4.946 4.550 -0.049 0.000 0.340 14 Y C 1.202 177.246 175.900 0.241 0.000 0.975 14 Y CA -0.625 57.575 58.100 0.167 0.000 1.089 14 Y CB 2.282 40.829 38.460 0.144 0.000 1.192 14 Y HN 0.524 nan 8.280 nan 0.000 0.454 15 S N 1.189 117.073 115.700 0.307 0.000 2.475 15 S HA 0.210 4.651 4.470 -0.048 0.000 0.224 15 S C 0.803 175.566 174.600 0.272 0.000 1.042 15 S CA 0.181 58.505 58.200 0.206 0.000 0.935 15 S CB 0.147 63.406 63.200 0.099 0.000 0.801 15 S HN 0.692 nan 8.310 nan 0.000 0.509 16 A N 2.673 125.647 122.820 0.257 0.000 2.409 16 A HA 0.449 4.741 4.320 -0.048 0.000 0.267 16 A C -1.583 176.126 177.584 0.207 0.000 1.127 16 A CA -1.329 50.816 52.037 0.180 0.000 0.795 16 A CB 0.105 19.165 19.000 0.100 0.000 1.061 16 A HN 0.092 nan 8.150 nan 0.000 0.502 17 P HA -0.190 nan 4.420 nan 0.000 0.216 17 P C 1.788 179.007 177.300 -0.134 0.000 1.153 17 P CA 2.097 65.225 63.100 0.047 0.000 0.858 17 P CB 0.163 31.902 31.700 0.064 0.000 0.789 18 G N -0.414 108.340 108.800 -0.076 0.000 2.440 18 G HA2 -0.275 3.656 3.960 -0.048 0.000 0.218 18 G HA3 -0.275 3.656 3.960 -0.048 0.000 0.218 18 G C 1.248 176.051 174.900 -0.162 0.000 1.154 18 G CA 1.107 46.143 45.100 -0.107 0.000 0.767 18 G HN 0.187 nan 8.290 nan 0.000 0.552 19 D N -0.169 120.142 120.400 -0.149 0.000 2.084 19 D HA -0.100 4.511 4.640 -0.048 0.000 0.194 19 D C 2.591 178.581 176.300 -0.517 0.000 0.990 19 D CA 0.933 54.781 54.000 -0.254 0.000 0.826 19 D CB -0.753 39.982 40.800 -0.108 0.000 0.971 19 D HN 0.116 nan 8.370 nan 0.000 0.453 20 V N 0.604 120.206 119.914 -0.521 0.000 2.515 20 V HA -0.182 3.910 4.120 -0.048 0.000 0.250 20 V C 2.121 177.917 176.094 -0.496 0.000 1.058 20 V CA 1.973 63.893 62.300 -0.633 0.000 1.064 20 V CB -0.430 30.978 31.823 -0.692 0.000 0.675 20 V HN 0.199 nan 8.190 nan 0.000 0.461 21 A N -0.555 122.021 122.820 -0.407 0.000 1.898 21 A HA -0.203 4.088 4.320 -0.048 0.000 0.216 21 A C 1.950 179.380 177.584 -0.256 0.000 1.181 21 A CA 1.906 53.765 52.037 -0.296 0.000 0.620 21 A CB -0.635 18.228 19.000 -0.229 0.000 0.819 21 A HN 0.589 nan 8.150 nan 0.000 0.442 22 D N -0.216 120.028 120.400 -0.261 0.000 2.097 22 D HA -0.100 4.512 4.640 -0.048 0.000 0.195 22 D C 2.121 178.271 176.300 -0.249 0.000 0.989 22 D CA 1.508 55.377 54.000 -0.219 0.000 0.827 22 D CB -0.502 40.183 40.800 -0.191 0.000 0.966 22 D HN 0.195 nan 8.370 nan 0.000 0.456 23 V N 0.613 120.317 119.914 -0.351 0.000 2.295 23 V HA -0.227 3.864 4.120 -0.048 0.000 0.246 23 V C 2.582 178.466 176.094 -0.350 0.000 1.049 23 V CA 1.875 63.948 62.300 -0.378 0.000 1.024 23 V CB -0.677 30.830 31.823 -0.528 0.000 0.648 23 V HN 0.188 nan 8.190 nan 0.000 0.447 24 S N -0.409 115.098 115.700 -0.322 0.000 2.359 24 S HA -0.288 4.154 4.470 -0.048 0.000 0.224 24 S C 2.258 176.739 174.600 -0.199 0.000 1.035 24 S CA 2.135 60.184 58.200 -0.251 0.000 1.018 24 S CB -0.357 62.711 63.200 -0.221 0.000 0.876 24 S HN 0.553 nan 8.310 nan 0.000 0.448 25 R N 0.348 120.739 120.500 -0.182 0.000 2.081 25 R HA -0.042 4.270 4.340 -0.048 0.000 0.235 25 R C 2.402 178.625 176.300 -0.128 0.000 1.131 25 R CA 1.381 57.399 56.100 -0.137 0.000 0.960 25 R CB -0.683 29.541 30.300 -0.126 0.000 0.856 25 R HN 0.468 nan 8.270 nan 0.000 0.436 26 A N 1.188 123.919 122.820 -0.149 0.000 1.877 26 A HA -0.130 4.161 4.320 -0.048 0.000 0.216 26 A C 2.229 179.735 177.584 -0.130 0.000 1.186 26 A CA 1.185 53.145 52.037 -0.127 0.000 0.620 26 A CB -0.585 18.336 19.000 -0.132 0.000 0.822 26 A HN 0.341 nan 8.150 nan 0.000 0.443 27 L N -1.167 119.942 121.223 -0.189 0.000 2.042 27 L HA -0.192 4.120 4.340 -0.048 0.000 0.210 27 L C 2.831 179.633 176.870 -0.113 0.000 1.076 27 L CA 1.810 56.541 54.840 -0.183 0.000 0.749 27 L CB -0.416 41.470 42.059 -0.288 0.000 0.893 27 L HN 0.440 nan 8.230 nan 0.000 0.432 28 R N 0.258 120.694 120.500 -0.107 0.000 2.092 28 R HA -0.140 4.171 4.340 -0.048 0.000 0.231 28 R C 2.318 178.585 176.300 -0.055 0.000 1.119 28 R CA 1.178 57.235 56.100 -0.072 0.000 0.970 28 R CB -0.135 30.122 30.300 -0.071 0.000 0.864 28 R HN 0.317 nan 8.270 nan 0.000 0.440 29 L N 0.179 121.366 121.223 -0.060 0.000 2.141 29 L HA -0.104 4.207 4.340 -0.048 0.000 0.209 29 L C 2.118 178.967 176.870 -0.035 0.000 1.094 29 L CA 1.624 56.437 54.840 -0.045 0.000 0.763 29 L CB -0.252 41.778 42.059 -0.048 0.000 0.908 29 L HN 0.376 nan 8.230 nan 0.000 0.437 30 T N -3.760 110.771 114.554 -0.038 0.000 3.169 30 T HA 0.224 4.545 4.350 -0.048 0.000 0.250 30 T C 1.310 176.001 174.700 -0.015 0.000 1.111 30 T CA 0.435 62.522 62.100 -0.022 0.000 1.010 30 T CB 0.344 69.203 68.868 -0.016 0.000 0.984 30 T HN 0.478 nan 8.240 nan 0.000 0.537 31 G N 1.421 110.208 108.800 -0.021 0.000 2.176 31 G HA2 -0.204 3.728 3.960 -0.048 0.000 0.232 31 G HA3 -0.204 3.728 3.960 -0.048 0.000 0.232 31 G C 0.167 175.061 174.900 -0.010 0.000 0.986 31 G CA -0.511 44.581 45.100 -0.013 0.000 0.643 31 G HN 0.584 nan 8.290 nan 0.000 0.522 32 R N 0.394 120.882 120.500 -0.019 0.000 2.539 32 R HA 0.447 4.758 4.340 -0.048 0.000 0.275 32 R C 0.528 176.817 176.300 -0.018 0.000 1.077 32 R CA -0.299 55.792 56.100 -0.015 0.000 1.097 32 R CB 0.468 30.750 30.300 -0.030 0.000 1.018 32 R HN 0.343 nan 8.270 nan 0.000 0.483 33 R N 1.141 121.640 120.500 -0.001 0.000 2.229 33 R HA 0.278 4.589 4.340 -0.048 0.000 0.328 33 R C -0.460 175.847 176.300 0.011 0.000 1.009 33 R CA -0.591 55.514 56.100 0.007 0.000 0.864 33 R CB 1.367 31.683 30.300 0.026 0.000 1.085 33 R HN 0.235 nan 8.270 nan 0.000 0.453 34 V N 5.539 125.453 119.914 -0.000 0.000 2.432 34 V HA 0.199 4.290 4.120 -0.048 0.000 0.271 34 V C 0.350 176.474 176.094 0.050 0.000 1.046 34 V CA -0.141 62.158 62.300 -0.002 0.000 0.945 34 V CB 1.181 32.980 31.823 -0.040 0.000 0.992 34 V HN 0.624 nan 8.190 nan 0.000 0.471 35 M N 5.982 125.626 119.600 0.074 0.000 2.300 35 M HA 0.514 4.965 4.480 -0.048 0.000 0.348 35 M C -0.789 175.586 176.300 0.125 0.000 1.151 35 M CA -0.838 54.562 55.300 0.167 0.000 1.046 35 M CB 1.382 34.068 32.600 0.144 0.000 1.647 35 M HN 0.489 nan 8.290 nan 0.000 0.451 36 L N 4.051 125.383 121.223 0.180 0.000 2.333 36 L HA 0.630 4.941 4.340 -0.048 0.000 0.280 36 L C -1.179 175.763 176.870 0.120 0.000 1.004 36 L CA -0.412 54.495 54.840 0.112 0.000 0.820 36 L CB 1.573 43.675 42.059 0.071 0.000 1.247 36 L HN 0.463 nan 8.230 nan 0.000 0.416 37 V N 6.960 126.901 119.914 0.045 0.000 2.284 37 V HA 0.440 4.531 4.120 -0.048 0.000 0.274 37 V C -2.258 173.821 176.094 -0.025 0.000 1.023 37 V CA -1.378 60.912 62.300 -0.016 0.000 0.808 37 V CB 1.081 32.892 31.823 -0.020 0.000 1.035 37 V HN 0.705 nan 8.190 nan 0.000 0.445 38 P HA 0.399 nan 4.420 nan 0.000 0.282 38 P C -0.196 177.152 177.300 0.080 0.000 1.262 38 P CA 0.089 63.203 63.100 0.023 0.000 0.773 38 P CB 1.020 32.755 31.700 0.059 0.000 0.879 39 T N -0.356 114.261 114.554 0.105 0.000 2.896 39 T HA 0.524 4.845 4.350 -0.048 0.000 0.297 39 T C 0.347 175.106 174.700 0.099 0.000 1.108 39 T CA -0.870 61.291 62.100 0.100 0.000 1.004 39 T CB 1.071 69.897 68.868 -0.069 0.000 1.159 39 T HN 0.146 nan 8.240 nan 0.000 0.499 40 M N 1.864 121.530 119.600 0.110 0.000 2.637 40 M HA 0.345 4.796 4.480 -0.048 0.000 0.286 40 M C 1.236 177.612 176.300 0.128 0.000 1.246 40 M CA 0.078 55.425 55.300 0.077 0.000 0.978 40 M CB -0.450 32.133 32.600 -0.030 0.000 1.417 40 M HN 1.229 nan 8.290 nan 0.000 0.487 41 G N 1.338 110.142 108.800 0.006 0.000 2.645 41 G HA2 -0.124 3.808 3.960 -0.048 0.000 0.239 41 G HA3 -0.124 3.808 3.960 -0.048 0.000 0.239 41 G C 0.209 175.089 174.900 -0.032 0.000 1.331 41 G CA -0.094 44.985 45.100 -0.034 0.000 0.890 41 G HN 1.114 nan 8.290 nan 0.000 0.572 42 A N -2.001 120.814 122.820 -0.008 0.000 2.519 42 A HA -0.042 4.249 4.320 -0.048 0.000 0.297 42 A C 0.726 178.287 177.584 -0.038 0.000 1.472 42 A CA 1.734 53.772 52.037 0.001 0.000 0.739 42 A CB -1.930 17.087 19.000 0.028 0.000 1.096 42 A HN 1.792 nan 8.150 nan 0.000 0.414 43 L N 1.045 122.180 121.223 -0.146 0.000 2.426 43 L HA 0.576 4.887 4.340 -0.048 0.000 0.271 43 L C 0.921 177.818 176.870 0.046 0.000 1.169 43 L CA -0.048 54.646 54.840 -0.244 0.000 0.836 43 L CB 0.503 42.427 42.059 -0.225 0.000 1.112 43 L HN 0.850 nan 8.230 nan 0.000 0.465 44 H N -0.900 118.397 119.070 0.378 0.000 2.949 44 H HA 0.303 4.829 4.556 -0.049 0.000 0.310 44 H C 0.276 175.695 175.328 0.151 0.000 1.405 44 H CA -0.984 55.176 56.048 0.187 0.000 1.253 44 H CB 0.530 30.367 29.762 0.126 0.000 1.932 44 H HN 0.389 nan 8.280 nan 0.000 0.602 45 E N 0.118 120.508 120.200 0.318 0.000 2.204 45 E HA -0.053 4.268 4.350 -0.048 0.000 0.195 45 E C 2.115 178.833 176.600 0.197 0.000 0.990 45 E CA 1.772 58.284 56.400 0.187 0.000 0.821 45 E CB -0.788 28.981 29.700 0.115 0.000 0.750 45 E HN 0.801 nan 8.360 nan 0.000 0.477 46 G N -0.688 108.333 108.800 0.368 0.000 2.433 46 G HA2 -0.310 3.622 3.960 -0.048 0.000 0.216 46 G HA3 -0.310 3.622 3.960 -0.048 0.000 0.216 46 G C 1.145 176.062 174.900 0.029 0.000 1.186 46 G CA 1.217 46.440 45.100 0.204 0.000 0.779 46 G HN 0.425 nan 8.290 nan 0.000 0.543 47 H N 0.203 119.257 119.070 -0.027 0.000 2.387 47 H HA 0.058 4.584 4.556 -0.049 0.000 0.299 47 H C 2.581 177.888 175.328 -0.035 0.000 1.099 47 H CA 1.158 57.155 56.048 -0.085 0.000 1.315 47 H CB -0.121 29.520 29.762 -0.202 0.000 1.380 47 H HN 0.243 nan 8.280 nan 0.000 0.513 48 L N -0.109 121.178 121.223 0.106 0.000 2.201 48 L HA -0.083 4.228 4.340 -0.048 0.000 0.212 48 L C 2.699 179.586 176.870 0.028 0.000 1.105 48 L CA 0.637 55.509 54.840 0.054 0.000 0.775 48 L CB -0.484 41.606 42.059 0.052 0.000 0.913 48 L HN 0.357 nan 8.230 nan 0.000 0.440 49 A N 0.517 123.363 122.820 0.043 0.000 1.933 49 A HA -0.130 4.161 4.320 -0.048 0.000 0.218 49 A C 2.263 179.851 177.584 0.007 0.000 1.175 49 A CA 1.207 53.263 52.037 0.030 0.000 0.628 49 A CB -0.509 18.522 19.000 0.051 0.000 0.814 49 A HN 0.344 nan 8.150 nan 0.000 0.444 50 L N -0.641 120.591 121.223 0.015 0.000 2.017 50 L HA -0.159 4.152 4.340 -0.048 0.000 0.208 50 L C 2.531 179.286 176.870 -0.192 0.000 1.073 50 L CA 1.208 56.034 54.840 -0.023 0.000 0.745 50 L CB -0.913 41.169 42.059 0.040 0.000 0.894 50 L HN 0.226 nan 8.230 nan 0.000 0.432 51 V N 0.188 120.029 119.914 -0.121 0.000 2.282 51 V HA -0.326 3.765 4.120 -0.048 0.000 0.249 51 V C 2.683 178.669 176.094 -0.181 0.000 1.057 51 V CA 1.949 64.157 62.300 -0.154 0.000 1.032 51 V CB -0.679 31.104 31.823 -0.067 0.000 0.645 51 V HN 0.427 nan 8.190 nan 0.000 0.447 52 R N -0.098 120.335 120.500 -0.113 0.000 2.096 52 R HA -0.095 4.217 4.340 -0.048 0.000 0.235 52 R C 2.442 178.671 176.300 -0.118 0.000 1.127 52 R CA 1.395 57.442 56.100 -0.087 0.000 0.968 52 R CB -0.612 29.666 30.300 -0.036 0.000 0.861 52 R HN 0.549 nan 8.270 nan 0.000 0.440 53 A N 1.373 124.103 122.820 -0.151 0.000 1.902 53 A HA -0.142 4.149 4.320 -0.048 0.000 0.217 53 A C 2.394 179.774 177.584 -0.340 0.000 1.181 53 A CA 1.738 53.690 52.037 -0.140 0.000 0.623 53 A CB -0.728 18.263 19.000 -0.016 0.000 0.818 53 A HN 0.398 nan 8.150 nan 0.000 0.443 54 A N -0.466 121.856 122.820 -0.830 0.000 1.883 54 A HA -0.194 4.097 4.320 -0.048 0.000 0.217 54 A C 2.158 179.569 177.584 -0.288 0.000 1.186 54 A CA 1.910 53.413 52.037 -0.890 0.000 0.624 54 A CB -0.483 17.994 19.000 -0.872 0.000 0.822 54 A HN 0.495 nan 8.150 nan 0.000 0.444 55 K N -0.767 119.510 120.400 -0.206 0.000 2.097 55 K HA -0.119 4.172 4.320 -0.048 0.000 0.206 55 K C 2.215 178.788 176.600 -0.045 0.000 1.049 55 K CA 1.384 57.617 56.287 -0.091 0.000 0.933 55 K CB -0.173 32.286 32.500 -0.068 0.000 0.717 55 K HN 0.388 nan 8.250 nan 0.000 0.442 56 R N 0.482 120.957 120.500 -0.042 0.000 2.249 56 R HA -0.052 4.259 4.340 -0.048 0.000 0.230 56 R C 0.304 176.618 176.300 0.023 0.000 1.121 56 R CA 0.299 56.398 56.100 -0.002 0.000 0.997 56 R CB -0.017 30.289 30.300 0.011 0.000 0.867 56 R HN -0.056 nan 8.270 nan 0.000 0.465 57 V N 3.363 123.298 119.914 0.035 0.000 2.479 57 V HA 0.081 4.172 4.120 -0.048 0.000 0.281 57 V C -2.051 174.068 176.094 0.042 0.000 1.031 57 V CA -1.572 60.766 62.300 0.065 0.000 1.038 57 V CB 0.835 32.728 31.823 0.116 0.000 0.981 57 V HN 0.018 nan 8.190 nan 0.000 0.478 58 P HA 0.222 nan 4.420 nan 0.000 0.268 58 P C 0.948 178.266 177.300 0.029 0.000 1.204 58 P CA 1.090 64.208 63.100 0.029 0.000 0.768 58 P CB 0.639 32.355 31.700 0.026 0.000 0.842 59 G N 1.814 110.630 108.800 0.026 0.000 2.162 59 G HA2 -0.250 3.681 3.960 -0.048 0.000 0.260 59 G HA3 -0.250 3.681 3.960 -0.048 0.000 0.260 59 G C 0.328 175.244 174.900 0.027 0.000 0.976 59 G CA 0.295 45.410 45.100 0.026 0.000 0.655 59 G HN 0.795 nan 8.290 nan 0.000 0.533 60 S N -1.096 114.622 115.700 0.029 0.000 2.572 60 S HA 0.608 5.049 4.470 -0.048 0.000 0.279 60 S C 0.268 174.886 174.600 0.030 0.000 1.341 60 S CA 0.028 58.245 58.200 0.029 0.000 1.043 60 S CB 2.490 65.705 63.200 0.025 0.000 0.887 60 S HN 1.636 nan 8.310 nan 0.000 0.516 61 V N 3.240 123.168 119.914 0.023 0.000 2.555 61 V HA 0.625 4.716 4.120 -0.048 0.000 0.302 61 V C -0.782 175.327 176.094 0.026 0.000 1.038 61 V CA -0.727 61.594 62.300 0.036 0.000 0.887 61 V CB 1.738 33.561 31.823 0.001 0.000 0.991 61 V HN 0.895 nan 8.190 nan 0.000 0.434 62 V N 7.102 127.038 119.914 0.038 0.000 2.394 62 V HA 0.480 4.572 4.120 -0.048 0.000 0.282 62 V C -0.179 175.943 176.094 0.046 0.000 1.031 62 V CA -0.461 61.847 62.300 0.013 0.000 0.881 62 V CB 1.704 33.510 31.823 -0.028 0.000 0.982 62 V HN 0.679 nan 8.190 nan 0.000 0.451 63 V N 5.912 125.853 119.914 0.044 0.000 2.384 63 V HA 0.428 4.519 4.120 -0.048 0.000 0.287 63 V C -0.154 175.986 176.094 0.077 0.000 1.020 63 V CA -0.540 61.804 62.300 0.075 0.000 0.850 63 V CB 1.806 33.661 31.823 0.054 0.000 0.987 63 V HN 0.605 nan 8.190 nan 0.000 0.436 64 V N 4.733 124.702 119.914 0.091 0.000 2.370 64 V HA 0.481 4.572 4.120 -0.048 0.000 0.283 64 V C 0.375 176.545 176.094 0.127 0.000 1.023 64 V CA -0.376 61.969 62.300 0.075 0.000 0.857 64 V CB 1.944 33.788 31.823 0.035 0.000 0.985 64 V HN 0.989 nan 8.190 nan 0.000 0.443 65 S N 5.803 121.586 115.700 0.138 0.000 2.541 65 S HA 0.808 5.250 4.470 -0.048 0.000 0.283 65 S C -0.708 173.942 174.600 0.085 0.000 1.196 65 S CA -0.639 57.660 58.200 0.166 0.000 1.062 65 S CB 1.387 64.735 63.200 0.246 0.000 1.009 65 S HN 0.499 nan 8.310 nan 0.000 0.502 66 I N 2.997 123.595 120.570 0.046 0.000 2.439 66 I HA 0.562 4.703 4.170 -0.048 0.000 0.285 66 I C -1.363 174.824 176.117 0.117 0.000 1.021 66 I CA -0.443 60.888 61.300 0.051 0.000 1.091 66 I CB 1.491 39.501 38.000 0.016 0.000 1.242 66 I HN 0.729 nan 8.210 nan 0.000 0.439 67 F N 6.898 126.817 119.950 -0.052 0.000 2.670 67 F HA 0.437 4.934 4.527 -0.050 0.000 0.332 67 F C -1.504 174.296 175.800 0.000 0.000 1.179 67 F CA -0.698 57.270 58.000 -0.054 0.000 1.076 67 F CB 1.281 40.225 39.000 -0.093 0.000 1.322 67 F HN 0.003 nan 8.300 nan 0.000 0.515 68 V N 5.364 124.940 119.914 -0.562 0.000 2.368 68 V HA 0.216 4.307 4.120 -0.048 0.000 0.266 68 V C -0.160 175.444 176.094 -0.816 0.000 1.045 68 V CA -0.543 61.459 62.300 -0.497 0.000 0.899 68 V CB 0.903 32.525 31.823 -0.335 0.000 1.006 68 V HN 0.656 nan 8.190 nan 0.000 0.470 69 N N 7.699 126.132 118.700 -0.445 0.000 2.437 69 N HA 0.310 5.022 4.740 -0.048 0.000 0.243 69 N C -1.679 173.856 175.510 0.042 0.000 1.041 69 N CA -1.983 50.891 53.050 -0.293 0.000 0.940 69 N CB 1.740 40.294 38.487 0.111 0.000 1.133 69 N HN 0.206 nan 8.380 nan 0.000 0.506 70 P HA -0.136 nan 4.420 nan 0.000 0.221 70 P C 1.294 178.638 177.300 0.073 0.000 1.145 70 P CA 1.005 64.107 63.100 0.004 0.000 0.795 70 P CB 0.116 31.761 31.700 -0.091 0.000 0.775 71 M N -0.031 119.563 119.600 -0.011 0.000 2.476 71 M HA -0.131 4.320 4.480 -0.048 0.000 0.262 71 M C 1.600 177.898 176.300 -0.003 0.000 1.079 71 M CA 1.441 56.707 55.300 -0.057 0.000 1.104 71 M CB -0.235 32.292 32.600 -0.122 0.000 1.409 71 M HN -0.031 nan 8.290 nan 0.000 0.467 72 Q N -0.807 118.998 119.800 0.009 0.000 2.319 72 Q HA 0.135 4.446 4.340 -0.048 0.000 0.202 72 Q C -0.698 175.209 176.000 -0.155 0.000 0.896 72 Q CA -0.159 55.554 55.803 -0.150 0.000 0.942 72 Q CB 0.072 28.616 28.738 -0.323 0.000 1.083 72 Q HN 0.332 nan 8.270 nan 0.000 0.510 73 F N 1.039 120.988 119.950 -0.001 0.000 2.443 73 F HA 0.625 5.124 4.527 -0.047 0.000 0.335 73 F C 0.911 176.700 175.800 -0.017 0.000 1.104 73 F CA -0.705 57.292 58.000 -0.006 0.000 1.013 73 F CB 1.580 40.557 39.000 -0.038 0.000 1.136 73 F HN -0.003 nan 8.300 nan 0.000 0.470 74 G N 0.742 109.626 108.800 0.141 0.000 2.502 74 G HA2 0.574 4.505 3.960 -0.048 0.000 0.305 74 G HA3 0.574 4.505 3.960 -0.048 0.000 0.305 74 G C -0.633 174.315 174.900 0.082 0.000 1.190 74 G CA -0.756 44.392 45.100 0.079 0.000 0.933 74 G HN 0.910 nan 8.290 nan 0.000 0.503 75 A N -0.597 122.249 122.820 0.042 0.000 2.547 75 A HA 0.476 4.767 4.320 -0.048 0.000 0.233 75 A C 1.594 179.195 177.584 0.028 0.000 1.067 75 A CA 0.845 52.898 52.037 0.026 0.000 0.763 75 A CB 0.011 19.018 19.000 0.011 0.000 1.007 75 A HN 1.254 nan 8.150 nan 0.000 0.506 76 G N -0.087 108.723 108.800 0.017 0.000 2.624 76 G HA2 0.418 4.349 3.960 -0.048 0.000 0.216 76 G HA3 0.418 4.349 3.960 -0.048 0.000 0.216 76 G C 1.079 175.974 174.900 -0.008 0.000 1.274 76 G CA 1.323 46.424 45.100 0.002 0.000 0.856 76 G HN 2.159 nan 8.290 nan 0.000 0.555 77 G N -0.042 108.746 108.800 -0.020 0.000 2.650 77 G HA2 -0.194 3.737 3.960 -0.048 0.000 0.193 77 G HA3 -0.194 3.737 3.960 -0.048 0.000 0.193 77 G C 0.902 175.798 174.900 -0.008 0.000 2.403 77 G CA 0.771 45.864 45.100 -0.011 0.000 1.493 77 G HN 0.328 nan 8.290 nan 0.000 0.459 78 D N 0.838 121.267 120.400 0.048 0.000 2.117 78 D HA 0.058 4.669 4.640 -0.048 0.000 0.198 78 D C 2.364 178.647 176.300 -0.028 0.000 0.982 78 D CA 1.225 55.305 54.000 0.133 0.000 0.828 78 D CB -0.021 40.988 40.800 0.348 0.000 0.967 78 D HN 0.269 nan 8.370 nan 0.000 0.464 79 L N 0.999 122.061 121.223 -0.269 0.000 2.012 79 L HA -0.157 4.154 4.340 -0.048 0.000 0.210 79 L C 1.213 177.850 176.870 -0.389 0.000 1.073 79 L CA 1.908 56.298 54.840 -0.751 0.000 0.748 79 L CB -0.552 41.191 42.059 -0.526 0.000 0.891 79 L HN -0.087 nan 8.230 nan 0.000 0.431 80 D N -0.381 119.904 120.400 -0.193 0.000 2.219 80 D HA -0.070 4.541 4.640 -0.048 0.000 0.205 80 D C 2.008 178.271 176.300 -0.061 0.000 0.970 80 D CA 1.280 55.214 54.000 -0.110 0.000 0.851 80 D CB 0.050 40.806 40.800 -0.073 0.000 0.943 80 D HN 0.522 nan 8.370 nan 0.000 0.488 81 A N -0.344 122.448 122.820 -0.046 0.000 2.169 81 A HA -0.065 4.226 4.320 -0.048 0.000 0.212 81 A C 0.682 178.303 177.584 0.060 0.000 1.153 81 A CA -0.195 51.835 52.037 -0.012 0.000 0.756 81 A CB -0.431 18.538 19.000 -0.052 0.000 0.813 81 A HN 0.161 nan 8.150 nan 0.000 0.471 82 Y N 2.404 122.680 120.300 -0.041 0.000 2.620 82 Y HA 0.236 4.756 4.550 -0.049 0.000 0.330 82 Y C -1.954 173.989 175.900 0.072 0.000 1.186 82 Y CA -2.183 55.949 58.100 0.054 0.000 1.467 82 Y CB 0.471 38.918 38.460 -0.022 0.000 1.262 82 Y HN 0.168 nan 8.280 nan 0.000 0.550 83 P HA 0.113 nan 4.420 nan 0.000 0.267 83 P C -1.277 176.032 177.300 0.014 0.000 1.205 83 P CA 0.190 63.231 63.100 -0.099 0.000 0.765 83 P CB 0.548 32.131 31.700 -0.194 0.000 0.828 84 R N 1.751 122.274 120.500 0.037 0.000 2.388 84 R HA 0.477 4.788 4.340 -0.048 0.000 0.314 84 R C -0.064 176.249 176.300 0.020 0.000 0.959 84 R CA -0.406 55.725 56.100 0.051 0.000 0.851 84 R CB 1.246 31.574 30.300 0.048 0.000 1.168 84 R HN 0.450 nan 8.270 nan 0.000 0.472 85 T N -0.643 113.920 114.554 0.015 0.000 3.658 85 T HA 0.241 4.563 4.350 -0.048 0.000 0.245 85 T C -2.303 172.397 174.700 -0.001 0.000 1.292 85 T CA -1.576 60.525 62.100 0.002 0.000 1.598 85 T CB 1.089 69.953 68.868 -0.007 0.000 0.861 85 T HN 0.174 nan 8.240 nan 0.000 0.663 86 P HA -0.065 nan 4.420 nan 0.000 0.218 86 P C 1.244 178.541 177.300 -0.005 0.000 1.148 86 P CA 0.922 64.022 63.100 -0.000 0.000 0.822 86 P CB 0.193 31.896 31.700 0.004 0.000 0.784 87 D N -0.271 120.127 120.400 -0.004 0.000 2.084 87 D HA -0.156 4.455 4.640 -0.048 0.000 0.194 87 D C 1.435 177.730 176.300 -0.008 0.000 0.990 87 D CA 1.241 55.238 54.000 -0.006 0.000 0.826 87 D CB -0.631 40.166 40.800 -0.005 0.000 0.971 87 D HN 0.155 nan 8.370 nan 0.000 0.453 88 D N 1.141 121.536 120.400 -0.008 0.000 2.104 88 D HA -0.142 4.470 4.640 -0.048 0.000 0.194 88 D C 1.619 177.911 176.300 -0.013 0.000 0.994 88 D CA 0.943 54.938 54.000 -0.008 0.000 0.830 88 D CB -0.419 40.377 40.800 -0.007 0.000 0.959 88 D HN 0.174 nan 8.370 nan 0.000 0.452 89 D N 0.484 120.872 120.400 -0.019 0.000 2.103 89 D HA -0.130 4.481 4.640 -0.048 0.000 0.190 89 D C 2.405 178.691 176.300 -0.024 0.000 0.997 89 D CA 0.575 54.556 54.000 -0.032 0.000 0.833 89 D CB -0.582 40.194 40.800 -0.040 0.000 0.961 89 D HN 0.223 nan 8.370 nan 0.000 0.447 90 L N 0.570 121.783 121.223 -0.017 0.000 2.083 90 L HA -0.146 4.165 4.340 -0.048 0.000 0.209 90 L C 2.531 179.393 176.870 -0.013 0.000 1.083 90 L CA 1.008 55.840 54.840 -0.013 0.000 0.752 90 L CB -0.424 41.628 42.059 -0.012 0.000 0.899 90 L HN -0.013 nan 8.230 nan 0.000 0.433 91 A N -0.296 122.517 122.820 -0.012 0.000 1.877 91 A HA -0.245 4.046 4.320 -0.048 0.000 0.216 91 A C 2.227 179.806 177.584 -0.008 0.000 1.186 91 A CA 1.506 53.537 52.037 -0.010 0.000 0.620 91 A CB -0.468 18.527 19.000 -0.009 0.000 0.822 91 A HN 0.474 nan 8.150 nan 0.000 0.443 92 Q N -0.384 119.411 119.800 -0.008 0.000 2.135 92 Q HA -0.133 4.178 4.340 -0.048 0.000 0.204 92 Q C 2.112 178.108 176.000 -0.006 0.000 0.981 92 Q CA 1.452 57.252 55.803 -0.005 0.000 0.856 92 Q CB -0.386 28.349 28.738 -0.004 0.000 0.902 92 Q HN 0.694 nan 8.270 nan 0.000 0.425 93 L N 0.050 121.267 121.223 -0.010 0.000 2.056 93 L HA -0.161 4.150 4.340 -0.048 0.000 0.207 93 L C 2.574 179.442 176.870 -0.005 0.000 1.078 93 L CA 1.061 55.897 54.840 -0.007 0.000 0.749 93 L CB -0.452 41.604 42.059 -0.004 0.000 0.901 93 L HN 0.182 nan 8.230 nan 0.000 0.433 94 R N 0.212 120.707 120.500 -0.008 0.000 2.096 94 R HA -0.183 4.128 4.340 -0.048 0.000 0.240 94 R C 2.354 178.649 176.300 -0.008 0.000 1.139 94 R CA 1.567 57.661 56.100 -0.010 0.000 0.952 94 R CB -0.506 29.785 30.300 -0.014 0.000 0.854 94 R HN 0.362 nan 8.270 nan 0.000 0.436 95 A N 0.855 123.671 122.820 -0.007 0.000 2.070 95 A HA -0.125 4.166 4.320 -0.048 0.000 0.220 95 A C 1.498 179.080 177.584 -0.004 0.000 1.159 95 A CA 1.213 53.247 52.037 -0.005 0.000 0.656 95 A CB -0.048 18.950 19.000 -0.003 0.000 0.800 95 A HN 0.184 nan 8.150 nan 0.000 0.453 96 E N -1.273 118.925 120.200 -0.004 0.000 2.474 96 E HA 0.183 4.504 4.350 -0.048 0.000 0.195 96 E C 1.157 177.753 176.600 -0.006 0.000 1.039 96 E CA 0.567 56.964 56.400 -0.006 0.000 0.881 96 E CB -0.107 29.588 29.700 -0.008 0.000 0.970 96 E HN 0.712 nan 8.360 nan 0.000 0.486 97 G N 1.668 110.466 108.800 -0.003 0.000 2.198 97 G HA2 -0.295 3.636 3.960 -0.048 0.000 0.260 97 G HA3 -0.295 3.636 3.960 -0.048 0.000 0.260 97 G C 0.501 175.408 174.900 0.010 0.000 1.025 97 G CA 0.477 45.577 45.100 0.001 0.000 0.769 97 G HN 0.185 nan 8.290 nan 0.000 0.507 98 V N -0.072 119.849 119.914 0.010 0.000 2.655 98 V HA 0.152 4.243 4.120 -0.048 0.000 0.300 98 V C 1.463 177.588 176.094 0.052 0.000 1.044 98 V CA 1.107 63.423 62.300 0.027 0.000 1.095 98 V CB 1.343 33.177 31.823 0.018 0.000 0.952 98 V HN 0.566 nan 8.190 nan 0.000 0.485 99 E N 3.713 123.974 120.200 0.102 0.000 2.364 99 E HA 0.272 4.593 4.350 -0.048 0.000 0.196 99 E C -0.142 176.605 176.600 0.244 0.000 0.990 99 E CA 0.429 56.930 56.400 0.168 0.000 0.886 99 E CB 0.512 30.388 29.700 0.293 0.000 0.866 99 E HN 0.599 nan 8.360 nan 0.000 0.493 100 I N 0.971 121.665 120.570 0.208 0.000 2.478 100 I HA 0.392 4.533 4.170 -0.048 0.000 0.287 100 I C -0.888 175.323 176.117 0.158 0.000 1.042 100 I CA -0.899 60.538 61.300 0.227 0.000 1.067 100 I CB 1.972 40.140 38.000 0.280 0.000 1.233 100 I HN -0.121 nan 8.210 nan 0.000 0.431 101 A N 6.118 129.014 122.820 0.128 0.000 2.317 101 A HA 0.746 5.037 4.320 -0.048 0.000 0.327 101 A C -1.288 176.450 177.584 0.256 0.000 1.178 101 A CA -0.336 51.785 52.037 0.140 0.000 0.817 101 A CB 1.052 20.090 19.000 0.064 0.000 1.189 101 A HN 0.540 nan 8.150 nan 0.000 0.489 102 F N 3.238 123.239 119.950 0.085 0.000 2.427 102 F HA 0.565 5.062 4.527 -0.050 0.000 0.348 102 F C 0.301 176.144 175.800 0.071 0.000 1.125 102 F CA -0.860 57.200 58.000 0.100 0.000 0.989 102 F CB 1.813 40.858 39.000 0.076 0.000 1.165 102 F HN 0.462 nan 8.300 nan 0.000 0.442 103 T N 5.302 119.761 114.554 -0.158 0.000 3.401 103 T HA 0.428 4.750 4.350 -0.048 0.000 0.341 103 T C -2.953 171.576 174.700 -0.285 0.000 1.674 103 T CA -1.736 60.245 62.100 -0.199 0.000 1.600 103 T CB 0.391 69.241 68.868 -0.031 0.000 0.974 103 T HN 0.365 nan 8.240 nan 0.000 0.672 104 P HA 0.237 nan 4.420 nan 0.000 0.274 104 P C 0.476 177.679 177.300 -0.163 0.000 1.237 104 P CA -0.029 62.784 63.100 -0.477 0.000 0.793 104 P CB 0.842 32.021 31.700 -0.868 0.000 0.977 105 T N -2.045 112.471 114.554 -0.064 0.000 2.849 105 T HA 0.143 4.464 4.350 -0.048 0.000 0.284 105 T C 1.399 176.188 174.700 0.148 0.000 1.004 105 T CA -0.163 61.980 62.100 0.071 0.000 1.021 105 T CB -0.363 68.538 68.868 0.054 0.000 1.013 105 T HN 0.307 nan 8.240 nan 0.000 0.527 106 T N 1.369 116.103 114.554 0.300 0.000 2.746 106 T HA -0.044 4.277 4.350 -0.048 0.000 0.267 106 T C 2.382 177.229 174.700 0.245 0.000 1.039 106 T CA 1.410 63.751 62.100 0.402 0.000 1.142 106 T CB -0.834 68.219 68.868 0.308 0.000 0.866 106 T HN 0.806 nan 8.240 nan 0.000 0.444 107 A N 1.268 124.175 122.820 0.145 0.000 1.933 107 A HA 0.147 4.438 4.320 -0.048 0.000 0.218 107 A C 2.571 180.185 177.584 0.051 0.000 1.175 107 A CA 1.789 53.886 52.037 0.100 0.000 0.628 107 A CB -0.904 18.138 19.000 0.070 0.000 0.814 107 A HN 0.514 nan 8.150 nan 0.000 0.444 108 A N -1.328 121.496 122.820 0.006 0.000 1.968 108 A HA 0.040 4.331 4.320 -0.048 0.000 0.217 108 A C 2.106 179.615 177.584 -0.125 0.000 1.169 108 A CA 1.580 53.592 52.037 -0.042 0.000 0.638 108 A CB -0.330 18.646 19.000 -0.041 0.000 0.812 108 A HN 0.419 nan 8.150 nan 0.000 0.446 109 M N -2.021 117.441 119.600 -0.231 0.000 2.334 109 M HA 0.097 4.548 4.480 -0.048 0.000 0.266 109 M C -0.040 175.907 176.300 -0.588 0.000 1.082 109 M CA 1.138 56.125 55.300 -0.521 0.000 1.141 109 M CB -0.643 31.417 32.600 -0.900 0.000 1.380 109 M HN 0.446 nan 8.290 nan 0.000 0.440 110 Y N 0.138 120.460 120.300 0.036 0.000 2.480 110 Y HA 0.283 4.804 4.550 -0.048 0.000 0.356 110 Y C -1.469 174.455 175.900 0.041 0.000 0.922 110 Y CA -2.315 55.818 58.100 0.055 0.000 1.146 110 Y CB -0.359 38.157 38.460 0.093 0.000 1.185 110 Y HN 0.129 nan 8.280 nan 0.000 0.624 111 P HA -0.112 nan 4.420 nan 0.000 0.222 111 P C 0.220 177.571 177.300 0.085 0.000 1.147 111 P CA 1.491 64.639 63.100 0.080 0.000 0.790 111 P CB 0.613 32.336 31.700 0.038 0.000 0.780 112 D N -0.521 119.940 120.400 0.101 0.000 2.463 112 D HA 0.218 4.829 4.640 -0.048 0.000 0.224 112 D C 1.312 177.671 176.300 0.097 0.000 1.174 112 D CA 0.389 54.439 54.000 0.083 0.000 0.829 112 D CB 0.828 41.666 40.800 0.064 0.000 0.993 112 D HN 0.113 nan 8.370 nan 0.000 0.497 113 G N 1.552 110.431 108.800 0.131 0.000 2.552 113 G HA2 -0.299 3.632 3.960 -0.048 0.000 0.265 113 G HA3 -0.299 3.632 3.960 -0.048 0.000 0.265 113 G C -0.178 174.782 174.900 0.100 0.000 1.234 113 G CA -0.548 44.608 45.100 0.093 0.000 0.944 113 G HN 0.286 nan 8.290 nan 0.000 0.568 114 L N 1.565 122.804 121.223 0.027 0.000 2.259 114 L HA 0.545 4.856 4.340 -0.048 0.000 0.288 114 L C 1.350 178.252 176.870 0.053 0.000 1.051 114 L CA -0.296 54.565 54.840 0.034 0.000 0.824 114 L CB 1.276 43.322 42.059 -0.021 0.000 1.206 114 L HN 0.769 nan 8.230 nan 0.000 0.429 115 R N 1.288 121.836 120.500 0.080 0.000 1.889 115 R HA 0.297 4.608 4.340 -0.048 0.000 0.134 115 R C 0.001 176.334 176.300 0.056 0.000 2.065 115 R CA -0.175 55.960 56.100 0.058 0.000 1.705 115 R CB 0.474 30.807 30.300 0.055 0.000 1.387 115 R HN 0.450 nan 8.270 nan 0.000 0.484 116 T N 1.799 116.387 114.554 0.057 0.000 2.869 116 T HA 0.296 4.617 4.350 -0.048 0.000 0.295 116 T C -0.160 174.584 174.700 0.074 0.000 0.987 116 T CA -0.164 61.964 62.100 0.047 0.000 1.109 116 T CB 1.324 70.207 68.868 0.025 0.000 0.932 116 T HN 0.579 nan 8.240 nan 0.000 0.518 117 T N -1.182 113.417 114.554 0.074 0.000 2.838 117 T HA 0.642 4.963 4.350 -0.048 0.000 0.292 117 T C -0.567 174.200 174.700 0.112 0.000 1.113 117 T CA -0.867 61.293 62.100 0.100 0.000 1.008 117 T CB 0.939 69.861 68.868 0.090 0.000 1.259 117 T HN 0.271 nan 8.240 nan 0.000 0.520 118 V N 1.776 121.774 119.914 0.140 0.000 2.465 118 V HA 0.479 4.570 4.120 -0.048 0.000 0.279 118 V C 0.079 176.246 176.094 0.122 0.000 1.045 118 V CA -0.490 61.920 62.300 0.184 0.000 0.938 118 V CB 1.100 33.050 31.823 0.211 0.000 0.986 118 V HN 0.984 nan 8.190 nan 0.000 0.467 119 Q N 6.766 126.641 119.800 0.124 0.000 2.398 119 Q HA 0.449 4.760 4.340 -0.048 0.000 0.251 119 Q C -2.475 173.546 176.000 0.035 0.000 0.999 119 Q CA -1.310 54.538 55.803 0.074 0.000 0.874 119 Q CB 1.351 30.131 28.738 0.069 0.000 1.215 119 Q HN 0.555 nan 8.270 nan 0.000 0.470 120 P HA 0.211 nan 4.420 nan 0.000 0.272 120 P C 0.008 177.279 177.300 -0.047 0.000 1.240 120 P CA -0.350 62.724 63.100 -0.044 0.000 0.791 120 P CB 0.622 32.305 31.700 -0.028 0.000 0.978 121 G N 0.987 109.735 108.800 -0.087 0.000 2.631 121 G HA2 0.140 4.071 3.960 -0.048 0.000 0.271 121 G HA3 0.140 4.071 3.960 -0.048 0.000 0.271 121 G C -1.570 173.294 174.900 -0.059 0.000 1.302 121 G CA -0.742 44.314 45.100 -0.072 0.000 1.002 121 G HN 0.326 nan 8.290 nan 0.000 0.519 122 P HA -0.081 nan 4.420 nan 0.000 0.222 122 P C 2.005 179.275 177.300 -0.050 0.000 1.147 122 P CA 0.091 63.168 63.100 -0.037 0.000 0.790 122 P CB 0.085 31.765 31.700 -0.035 0.000 0.780 123 L N 0.171 121.343 121.223 -0.086 0.000 2.127 123 L HA -0.127 4.184 4.340 -0.048 0.000 0.211 123 L C 2.086 178.885 176.870 -0.118 0.000 1.089 123 L CA 1.864 56.633 54.840 -0.118 0.000 0.757 123 L CB -1.471 40.483 42.059 -0.174 0.000 0.899 123 L HN -0.084 nan 8.230 nan 0.000 0.434 124 A N -1.000 121.767 122.820 -0.089 0.000 2.172 124 A HA 0.098 4.389 4.320 -0.048 0.000 0.216 124 A C 2.265 179.944 177.584 0.158 0.000 1.154 124 A CA 1.213 53.270 52.037 0.034 0.000 0.701 124 A CB -0.797 18.257 19.000 0.090 0.000 0.789 124 A HN 0.537 nan 8.150 nan 0.000 0.465 125 A N -0.692 122.168 122.820 0.066 0.000 2.178 125 A HA 0.250 4.541 4.320 -0.048 0.000 0.211 125 A C 0.748 178.360 177.584 0.047 0.000 1.157 125 A CA 0.094 52.168 52.037 0.063 0.000 0.780 125 A CB 0.051 19.068 19.000 0.029 0.000 0.828 125 A HN 0.582 nan 8.150 nan 0.000 0.476 126 E N -1.126 119.090 120.200 0.027 0.000 2.243 126 E HA 0.611 4.932 4.350 -0.048 0.000 0.260 126 E C 0.203 176.791 176.600 -0.020 0.000 0.985 126 E CA -0.692 55.696 56.400 -0.020 0.000 0.858 126 E CB 1.162 30.825 29.700 -0.062 0.000 1.210 126 E HN 0.199 nan 8.360 nan 0.000 0.411 127 L N -0.168 120.968 121.223 -0.146 0.000 5.712 127 L HA -0.425 3.886 4.340 -0.048 0.000 0.053 127 L C 1.737 178.618 176.870 0.017 0.000 2.787 127 L CA 1.320 55.968 54.840 -0.320 0.000 1.527 127 L CB -1.111 40.734 42.059 -0.355 0.000 2.908 127 L HN 0.621 nan 8.230 nan 0.000 0.994 128 E N 0.515 120.843 120.200 0.214 0.000 2.209 128 E HA -0.130 4.192 4.350 -0.048 0.000 0.196 128 E C 1.855 178.558 176.600 0.171 0.000 0.993 128 E CA 1.534 58.090 56.400 0.260 0.000 0.819 128 E CB -0.373 29.524 29.700 0.328 0.000 0.745 128 E HN 0.746 nan 8.360 nan 0.000 0.477 129 G N 0.411 109.386 108.800 0.291 0.000 2.712 129 G HA2 -0.053 3.879 3.960 -0.048 0.000 0.212 129 G HA3 -0.053 3.879 3.960 -0.048 0.000 0.212 129 G C 1.554 176.520 174.900 0.110 0.000 1.142 129 G CA 0.583 45.821 45.100 0.230 0.000 0.789 129 G HN 0.363 nan 8.290 nan 0.000 0.535 130 G N 2.170 111.019 108.800 0.081 0.000 2.586 130 G HA2 -0.187 3.744 3.960 -0.048 0.000 0.218 130 G HA3 -0.187 3.744 3.960 -0.048 0.000 0.218 130 G C 0.454 175.378 174.900 0.040 0.000 1.216 130 G CA 1.340 46.469 45.100 0.049 0.000 0.786 130 G HN 0.489 nan 8.290 nan 0.000 0.583 131 P HA 0.131 nan 4.420 nan 0.000 0.249 131 P C 0.181 177.484 177.300 0.006 0.000 1.229 131 P CA 0.354 63.466 63.100 0.020 0.000 0.788 131 P CB 0.405 32.117 31.700 0.020 0.000 1.072 132 R N 0.823 121.326 120.500 0.004 0.000 2.681 132 R HA 0.232 4.544 4.340 -0.048 0.000 0.277 132 R C -1.958 174.357 176.300 0.026 0.000 1.563 132 R CA -1.302 54.791 56.100 -0.013 0.000 1.673 132 R CB 0.859 31.103 30.300 -0.093 0.000 1.258 132 R HN 0.051 nan 8.270 nan 0.000 0.650 133 P HA -0.134 nan 4.420 nan 0.000 0.225 133 P C 0.991 178.325 177.300 0.056 0.000 1.148 133 P CA 1.328 64.460 63.100 0.052 0.000 0.779 133 P CB 0.303 32.026 31.700 0.037 0.000 0.780 134 T N -5.912 108.666 114.554 0.039 0.000 3.054 134 T HA 0.061 4.383 4.350 -0.048 0.000 0.255 134 T C 1.625 176.324 174.700 -0.003 0.000 1.035 134 T CA 0.001 62.117 62.100 0.027 0.000 0.941 134 T CB -0.922 67.955 68.868 0.016 0.000 1.026 134 T HN 0.044 nan 8.240 nan 0.000 0.533 135 H N 1.211 120.201 119.070 -0.133 0.000 2.290 135 H HA 0.023 4.550 4.556 -0.048 0.000 0.298 135 H C 1.251 176.412 175.328 -0.277 0.000 1.087 135 H CA 1.714 57.588 56.048 -0.290 0.000 1.291 135 H CB -0.606 28.856 29.762 -0.499 0.000 1.369 135 H HN 0.393 nan 8.280 nan 0.000 0.492 136 F N 0.287 120.105 119.950 -0.220 0.000 2.325 136 F HA 0.119 4.618 4.527 -0.046 0.000 0.299 136 F C 2.703 178.400 175.800 -0.171 0.000 1.090 136 F CA 0.806 58.644 58.000 -0.269 0.000 1.392 136 F CB -0.853 38.078 39.000 -0.116 0.000 1.053 136 F HN 0.365 nan 8.300 nan 0.000 0.521 137 A N 0.436 123.289 122.820 0.055 0.000 1.908 137 A HA -0.120 4.171 4.320 -0.048 0.000 0.218 137 A C 2.627 180.222 177.584 0.018 0.000 1.181 137 A CA 1.917 53.978 52.037 0.041 0.000 0.627 137 A CB -1.550 17.476 19.000 0.042 0.000 0.818 137 A HN 0.394 nan 8.150 nan 0.000 0.445 138 G N -0.648 108.124 108.800 -0.047 0.000 2.418 138 G HA2 -0.115 3.816 3.960 -0.048 0.000 0.217 138 G HA3 -0.115 3.816 3.960 -0.048 0.000 0.217 138 G C 1.518 176.411 174.900 -0.011 0.000 1.158 138 G CA 1.303 46.384 45.100 -0.032 0.000 0.771 138 G HN 0.336 nan 8.290 nan 0.000 0.545 139 V N 1.028 120.868 119.914 -0.123 0.000 2.307 139 V HA -0.095 3.996 4.120 -0.048 0.000 0.245 139 V C 2.889 179.012 176.094 0.047 0.000 1.045 139 V CA 1.371 63.641 62.300 -0.051 0.000 1.024 139 V CB -0.462 31.303 31.823 -0.096 0.000 0.651 139 V HN 0.321 nan 8.190 nan 0.000 0.449 140 L N -0.358 120.891 121.223 0.042 0.000 2.141 140 L HA -0.140 4.171 4.340 -0.048 0.000 0.209 140 L C 2.601 179.533 176.870 0.102 0.000 1.094 140 L CA 1.714 56.583 54.840 0.047 0.000 0.763 140 L CB -1.083 40.982 42.059 0.011 0.000 0.908 140 L HN 0.384 nan 8.230 nan 0.000 0.437 141 T N -0.479 114.148 114.554 0.122 0.000 2.708 141 T HA -0.184 4.137 4.350 -0.048 0.000 0.266 141 T C 1.934 176.737 174.700 0.172 0.000 1.037 141 T CA 1.385 63.582 62.100 0.162 0.000 1.146 141 T CB -0.219 68.762 68.868 0.189 0.000 0.865 141 T HN 0.115 nan 8.240 nan 0.000 0.435 142 V N 1.118 121.154 119.914 0.202 0.000 2.427 142 V HA -0.111 3.980 4.120 -0.048 0.000 0.248 142 V C 2.473 178.671 176.094 0.172 0.000 1.051 142 V CA 1.373 63.801 62.300 0.213 0.000 1.048 142 V CB -0.363 31.658 31.823 0.330 0.000 0.666 142 V HN 0.327 nan 8.190 nan 0.000 0.456 143 V N -0.109 119.911 119.914 0.177 0.000 2.358 143 V HA -0.203 3.888 4.120 -0.048 0.000 0.246 143 V C 2.420 178.607 176.094 0.155 0.000 1.047 143 V CA 2.061 64.478 62.300 0.195 0.000 1.035 143 V CB -0.610 31.337 31.823 0.206 0.000 0.658 143 V HN 0.582 nan 8.190 nan 0.000 0.452 144 L N 0.338 121.644 121.223 0.137 0.000 2.012 144 L HA -0.205 4.106 4.340 -0.048 0.000 0.210 144 L C 2.383 179.308 176.870 0.092 0.000 1.073 144 L CA 2.051 56.970 54.840 0.132 0.000 0.748 144 L CB -0.727 41.434 42.059 0.169 0.000 0.891 144 L HN 0.223 nan 8.230 nan 0.000 0.431 145 K N -0.815 119.630 120.400 0.074 0.000 2.057 145 K HA -0.144 4.147 4.320 -0.048 0.000 0.207 145 K C 2.084 178.705 176.600 0.035 0.000 1.049 145 K CA 1.745 58.047 56.287 0.025 0.000 0.931 145 K CB -0.344 32.137 32.500 -0.031 0.000 0.714 145 K HN 0.332 nan 8.250 nan 0.000 0.440 146 L N 0.802 122.073 121.223 0.079 0.000 2.083 146 L HA -0.192 4.119 4.340 -0.048 0.000 0.209 146 L C 2.278 179.189 176.870 0.069 0.000 1.083 146 L CA 1.047 55.955 54.840 0.112 0.000 0.752 146 L CB -0.408 41.751 42.059 0.166 0.000 0.899 146 L HN 0.190 nan 8.230 nan 0.000 0.433 147 L N -0.872 120.397 121.223 0.077 0.000 2.093 147 L HA -0.195 4.117 4.340 -0.048 0.000 0.208 147 L C 2.795 179.674 176.870 0.015 0.000 1.085 147 L CA 0.891 55.764 54.840 0.056 0.000 0.755 147 L CB -0.432 41.675 42.059 0.080 0.000 0.904 147 L HN 0.351 nan 8.230 nan 0.000 0.435 148 Q N -0.238 119.568 119.800 0.009 0.000 2.123 148 Q HA -0.067 4.244 4.340 -0.048 0.000 0.199 148 Q C 2.304 178.270 176.000 -0.057 0.000 0.966 148 Q CA 1.321 57.111 55.803 -0.020 0.000 0.845 148 Q CB -0.059 28.668 28.738 -0.017 0.000 0.907 148 Q HN 0.548 nan 8.270 nan 0.000 0.439 149 I N -0.126 120.402 120.570 -0.070 0.000 2.163 149 I HA -0.214 3.927 4.170 -0.048 0.000 0.240 149 I C 2.125 178.126 176.117 -0.194 0.000 1.081 149 I CA 0.941 62.154 61.300 -0.144 0.000 1.353 149 I CB -0.093 37.806 38.000 -0.168 0.000 1.054 149 I HN -0.057 nan 8.210 nan 0.000 0.407 150 V N -0.721 119.098 119.914 -0.160 0.000 2.878 150 V HA 0.051 4.143 4.120 -0.048 0.000 0.250 150 V C 0.826 176.857 176.094 -0.105 0.000 1.075 150 V CA 0.176 62.378 62.300 -0.162 0.000 1.096 150 V CB -0.565 31.188 31.823 -0.116 0.000 0.724 150 V HN 0.392 nan 8.190 nan 0.000 0.467 151 R N -0.235 120.225 120.500 -0.067 0.000 3.092 151 R HA -0.142 4.169 4.340 -0.048 0.000 0.245 151 R C -2.380 173.899 176.300 -0.036 0.000 0.881 151 R CA 0.504 56.577 56.100 -0.046 0.000 0.614 151 R CB -2.119 28.147 30.300 -0.058 0.000 1.128 151 R HN 0.438 nan 8.270 nan 0.000 0.483 152 P HA 0.128 nan 4.420 nan 0.000 0.276 152 P C 0.369 177.672 177.300 0.006 0.000 1.244 152 P CA -0.403 62.698 63.100 0.002 0.000 0.801 152 P CB 0.746 32.464 31.700 0.030 0.000 1.006 153 D N 0.754 121.162 120.400 0.014 0.000 2.144 153 D HA -0.044 4.567 4.640 -0.048 0.000 0.200 153 D C 0.591 176.892 176.300 0.001 0.000 0.978 153 D CA 1.434 55.440 54.000 0.011 0.000 0.833 153 D CB 0.382 41.195 40.800 0.021 0.000 0.961 153 D HN 0.408 nan 8.370 nan 0.000 0.470 154 R N -0.299 120.210 120.500 0.016 0.000 2.698 154 R HA 0.576 4.887 4.340 -0.048 0.000 0.275 154 R C -1.318 174.941 176.300 -0.069 0.000 1.001 154 R CA -0.617 55.432 56.100 -0.086 0.000 0.896 154 R CB 3.253 33.463 30.300 -0.150 0.000 1.218 154 R HN -0.169 nan 8.270 nan 0.000 0.462 155 V N 3.321 123.105 119.914 -0.216 0.000 2.656 155 V HA 0.624 4.715 4.120 -0.048 0.000 0.307 155 V C -1.612 174.274 176.094 -0.346 0.000 1.051 155 V CA -0.636 61.591 62.300 -0.121 0.000 0.893 155 V CB 1.630 33.466 31.823 0.021 0.000 0.999 155 V HN 0.576 nan 8.190 nan 0.000 0.426 156 F N 6.420 126.221 119.950 -0.248 0.000 2.467 156 F HA 0.742 5.282 4.527 0.022 0.000 0.336 156 F C -0.472 175.070 175.800 -0.429 0.000 1.123 156 F CA -0.534 57.357 58.000 -0.182 0.000 0.964 156 F CB 1.766 40.704 39.000 -0.103 0.000 1.136 156 F HN 0.333 nan 8.300 nan 0.000 0.447 157 F N 0.559 120.609 119.950 0.168 0.000 2.576 157 F HA 0.651 5.137 4.527 -0.068 0.000 0.313 157 F C 0.600 176.474 175.800 0.123 0.000 1.078 157 F CA -1.292 56.786 58.000 0.131 0.000 0.921 157 F CB 1.782 40.823 39.000 0.070 0.000 1.232 157 F HN 0.543 nan 8.300 nan 0.000 0.459 158 G N 0.770 109.749 108.800 0.299 0.000 2.527 158 G HA2 0.210 4.141 3.960 -0.048 0.000 0.248 158 G HA3 0.210 4.141 3.960 -0.048 0.000 0.248 158 G C 0.352 175.378 174.900 0.210 0.000 1.231 158 G CA -0.341 44.885 45.100 0.210 0.000 0.838 158 G HN 0.843 nan 8.290 nan 0.000 0.570 159 E N 0.205 120.519 120.200 0.189 0.000 2.427 159 E HA -0.082 4.239 4.350 -0.048 0.000 0.196 159 E C 2.134 178.877 176.600 0.237 0.000 1.028 159 E CA 0.037 56.578 56.400 0.235 0.000 0.864 159 E CB 0.190 30.032 29.700 0.237 0.000 0.813 159 E HN 0.486 nan 8.360 nan 0.000 0.514 160 K N 1.427 121.932 120.400 0.175 0.000 2.063 160 K HA -0.137 4.154 4.320 -0.048 0.000 0.208 160 K C 0.105 176.816 176.600 0.185 0.000 1.048 160 K CA 1.053 57.429 56.287 0.149 0.000 0.928 160 K CB 0.046 32.612 32.500 0.110 0.000 0.713 160 K HN 0.043 nan 8.250 nan 0.000 0.442 161 D N 0.737 121.256 120.400 0.198 0.000 2.564 161 D HA -0.020 4.591 4.640 -0.048 0.000 0.226 161 D C 0.444 176.856 176.300 0.187 0.000 1.149 161 D CA -0.126 53.999 54.000 0.209 0.000 0.994 161 D CB 0.218 41.146 40.800 0.214 0.000 1.029 161 D HN 0.163 nan 8.370 nan 0.000 0.517 162 Y N 1.877 122.227 120.300 0.083 0.000 2.200 162 Y HA -0.227 4.294 4.550 -0.047 0.000 0.290 162 Y C 2.466 178.356 175.900 -0.015 0.000 1.137 162 Y CA 1.757 59.879 58.100 0.035 0.000 1.163 162 Y CB 0.269 38.751 38.460 0.036 0.000 0.988 162 Y HN 0.222 nan 8.280 nan 0.000 0.518 163 Q N 0.034 119.884 119.800 0.083 0.000 2.096 163 Q HA -0.318 3.993 4.340 -0.048 0.000 0.204 163 Q C 2.400 178.205 176.000 -0.325 0.000 0.982 163 Q CA 2.046 57.776 55.803 -0.123 0.000 0.850 163 Q CB -0.276 28.439 28.738 -0.040 0.000 0.901 163 Q HN 0.687 nan 8.270 nan 0.000 0.422 164 Q N -0.067 119.663 119.800 -0.116 0.000 2.061 164 Q HA -0.218 4.093 4.340 -0.048 0.000 0.204 164 Q C 2.154 177.961 176.000 -0.321 0.000 0.984 164 Q CA 1.577 57.310 55.803 -0.116 0.000 0.846 164 Q CB -0.181 28.646 28.738 0.148 0.000 0.902 164 Q HN 0.455 nan 8.270 nan 0.000 0.421 165 L N 0.097 121.127 121.223 -0.321 0.000 2.046 165 L HA -0.141 4.170 4.340 -0.048 0.000 0.208 165 L C 2.166 178.781 176.870 -0.426 0.000 1.077 165 L CA 1.499 56.098 54.840 -0.401 0.000 0.747 165 L CB -0.645 41.228 42.059 -0.310 0.000 0.896 165 L HN 0.120 nan 8.230 nan 0.000 0.432 166 V N -0.409 119.215 119.914 -0.484 0.000 2.343 166 V HA -0.290 3.801 4.120 -0.048 0.000 0.247 166 V C 2.580 178.468 176.094 -0.343 0.000 1.051 166 V CA 1.986 64.039 62.300 -0.413 0.000 1.036 166 V CB -0.528 31.049 31.823 -0.410 0.000 0.654 166 V HN 0.442 nan 8.190 nan 0.000 0.451 167 L N -0.917 120.072 121.223 -0.390 0.000 2.141 167 L HA -0.125 4.186 4.340 -0.048 0.000 0.209 167 L C 2.271 178.953 176.870 -0.313 0.000 1.094 167 L CA 1.401 56.021 54.840 -0.366 0.000 0.763 167 L CB -0.348 41.422 42.059 -0.481 0.000 0.908 167 L HN 0.274 nan 8.230 nan 0.000 0.437 168 I N -0.697 119.665 120.570 -0.347 0.000 2.252 168 I HA -0.257 3.884 4.170 -0.048 0.000 0.245 168 I C 2.656 178.630 176.117 -0.239 0.000 1.102 168 I CA 1.078 62.186 61.300 -0.320 0.000 1.385 168 I CB -0.233 37.450 38.000 -0.528 0.000 1.064 168 I HN 0.159 nan 8.210 nan 0.000 0.414 169 R N 0.385 120.743 120.500 -0.237 0.000 2.105 169 R HA -0.208 4.104 4.340 -0.048 0.000 0.239 169 R C 2.276 178.472 176.300 -0.173 0.000 1.135 169 R CA 1.391 57.386 56.100 -0.175 0.000 0.967 169 R CB -0.380 29.819 30.300 -0.169 0.000 0.861 169 R HN 0.515 nan 8.270 nan 0.000 0.442 170 Q N 0.459 120.135 119.800 -0.208 0.000 2.050 170 Q HA -0.178 4.133 4.340 -0.048 0.000 0.202 170 Q C 2.239 178.080 176.000 -0.264 0.000 0.980 170 Q CA 1.271 56.946 55.803 -0.213 0.000 0.840 170 Q CB -0.224 28.381 28.738 -0.222 0.000 0.898 170 Q HN 0.206 nan 8.270 nan 0.000 0.424 171 L N 0.312 121.357 121.223 -0.296 0.000 2.012 171 L HA -0.189 4.122 4.340 -0.048 0.000 0.210 171 L C 2.152 178.859 176.870 -0.272 0.000 1.073 171 L CA 1.537 56.142 54.840 -0.391 0.000 0.748 171 L CB -0.496 41.412 42.059 -0.252 0.000 0.891 171 L HN -0.014 nan 8.230 nan 0.000 0.431 172 V N 0.059 119.886 119.914 -0.144 0.000 2.295 172 V HA -0.288 3.803 4.120 -0.048 0.000 0.246 172 V C 2.795 178.858 176.094 -0.051 0.000 1.049 172 V CA 1.719 63.985 62.300 -0.056 0.000 1.024 172 V CB -1.296 30.502 31.823 -0.042 0.000 0.648 172 V HN 0.642 nan 8.190 nan 0.000 0.447 173 A N -0.054 122.714 122.820 -0.086 0.000 1.877 173 A HA -0.246 4.045 4.320 -0.048 0.000 0.216 173 A C 1.970 179.523 177.584 -0.051 0.000 1.186 173 A CA 2.102 54.101 52.037 -0.063 0.000 0.620 173 A CB -0.656 18.298 19.000 -0.077 0.000 0.822 173 A HN 0.543 nan 8.150 nan 0.000 0.443 174 D N -1.104 119.222 120.400 -0.124 0.000 2.183 174 D HA -0.040 4.571 4.640 -0.048 0.000 0.203 174 D C 0.730 177.090 176.300 0.100 0.000 0.969 174 D CA 0.882 54.817 54.000 -0.108 0.000 0.842 174 D CB -0.218 40.405 40.800 -0.295 0.000 0.957 174 D HN 0.426 nan 8.370 nan 0.000 0.484 175 F N 0.178 120.115 119.950 -0.021 0.000 2.641 175 F HA 0.176 4.674 4.527 -0.047 0.000 0.302 175 F C 0.188 175.979 175.800 -0.015 0.000 1.098 175 F CA -0.918 57.072 58.000 -0.016 0.000 1.318 175 F CB -1.211 37.782 39.000 -0.012 0.000 1.035 175 F HN -0.179 nan 8.300 nan 0.000 0.551 176 N N 0.364 119.149 118.700 0.141 0.000 2.721 176 N HA -0.235 4.476 4.740 -0.048 0.000 0.249 176 N C -0.649 174.900 175.510 0.064 0.000 1.072 176 N CA 0.245 53.339 53.050 0.073 0.000 0.710 176 N CB -1.777 36.744 38.487 0.056 0.000 0.993 176 N HN 0.237 nan 8.380 nan 0.000 0.547 177 L N -0.239 121.030 121.223 0.077 0.000 2.453 177 L HA 0.129 4.441 4.340 -0.048 0.000 0.272 177 L C 0.897 177.784 176.870 0.028 0.000 1.182 177 L CA 0.061 54.936 54.840 0.059 0.000 0.858 177 L CB 0.360 42.463 42.059 0.073 0.000 1.120 177 L HN 0.096 nan 8.230 nan 0.000 0.474 178 D N 3.234 123.646 120.400 0.019 0.000 2.741 178 D HA 0.297 4.909 4.640 -0.048 0.000 0.233 178 D C -0.957 175.344 176.300 0.002 0.000 1.160 178 D CA 0.151 54.154 54.000 0.006 0.000 1.003 178 D CB 0.442 41.242 40.800 0.001 0.000 1.064 178 D HN 0.162 nan 8.370 nan 0.000 0.503 179 V N 0.835 120.750 119.914 0.001 0.000 2.888 179 V HA 0.767 4.859 4.120 -0.048 0.000 0.309 179 V C -1.175 174.905 176.094 -0.023 0.000 1.114 179 V CA -0.831 61.465 62.300 -0.006 0.000 0.940 179 V CB 1.978 33.807 31.823 0.011 0.000 1.021 179 V HN 0.324 nan 8.190 nan 0.000 0.426 180 A N 5.456 128.248 122.820 -0.047 0.000 2.289 180 A HA 0.737 5.028 4.320 -0.048 0.000 0.298 180 A C -0.550 176.963 177.584 -0.118 0.000 1.208 180 A CA -0.391 51.601 52.037 -0.075 0.000 0.845 180 A CB 1.009 19.959 19.000 -0.082 0.000 1.125 180 A HN 1.069 nan 8.150 nan 0.000 0.517 181 V N 3.769 123.630 119.914 -0.089 0.000 2.406 181 V HA 0.290 4.381 4.120 -0.048 0.000 0.272 181 V C -0.072 175.944 176.094 -0.130 0.000 1.043 181 V CA -0.292 61.965 62.300 -0.072 0.000 0.915 181 V CB 1.145 32.958 31.823 -0.017 0.000 0.988 181 V HN 0.576 nan 8.190 nan 0.000 0.466 182 V N 4.482 124.252 119.914 -0.240 0.000 2.357 182 V HA 0.620 4.711 4.120 -0.048 0.000 0.284 182 V C 0.761 176.835 176.094 -0.034 0.000 1.018 182 V CA -0.404 61.752 62.300 -0.241 0.000 0.841 182 V CB 1.508 32.958 31.823 -0.622 0.000 0.991 182 V HN 0.936 nan 8.190 nan 0.000 0.437 183 G N 3.700 112.523 108.800 0.039 0.000 2.338 183 G HA2 0.557 4.488 3.960 -0.048 0.000 0.298 183 G HA3 0.557 4.488 3.960 -0.048 0.000 0.298 183 G C -0.762 174.220 174.900 0.137 0.000 1.140 183 G CA -0.313 44.854 45.100 0.112 0.000 0.860 183 G HN 0.537 nan 8.290 nan 0.000 0.470 184 V N 4.508 124.526 119.914 0.173 0.000 2.459 184 V HA 0.320 4.411 4.120 -0.048 0.000 0.295 184 V C -2.009 174.164 176.094 0.133 0.000 1.029 184 V CA -1.689 60.707 62.300 0.161 0.000 0.874 184 V CB 2.161 34.096 31.823 0.187 0.000 0.985 184 V HN 0.585 nan 8.190 nan 0.000 0.438 185 P HA 0.082 nan 4.420 nan 0.000 0.266 185 P C 0.046 177.395 177.300 0.083 0.000 1.195 185 P CA 0.089 63.243 63.100 0.090 0.000 0.768 185 P CB 0.157 31.897 31.700 0.067 0.000 0.838 186 T N 2.560 117.160 114.554 0.078 0.000 2.866 186 T HA 0.062 4.383 4.350 -0.048 0.000 0.293 186 T C 0.463 175.190 174.700 0.045 0.000 1.005 186 T CA -0.002 62.137 62.100 0.065 0.000 1.162 186 T CB -0.195 68.706 68.868 0.056 0.000 0.968 186 T HN 0.057 nan 8.240 nan 0.000 0.530 187 V N 6.027 125.968 119.914 0.044 0.000 2.614 187 V HA 0.330 4.422 4.120 -0.048 0.000 0.291 187 V C 0.693 176.790 176.094 0.005 0.000 1.049 187 V CA -0.161 62.157 62.300 0.031 0.000 1.038 187 V CB 0.752 32.604 31.823 0.047 0.000 0.980 187 V HN 0.736 nan 8.190 nan 0.000 0.481 188 R N 2.582 123.082 120.500 0.001 0.000 2.750 188 R HA 0.474 4.785 4.340 -0.048 0.000 0.281 188 R C -0.607 175.685 176.300 -0.015 0.000 0.972 188 R CA -0.958 55.135 56.100 -0.013 0.000 0.912 188 R CB 1.912 32.209 30.300 -0.005 0.000 1.187 188 R HN 0.628 nan 8.270 nan 0.000 0.464 189 E N 0.748 120.932 120.200 -0.025 0.000 2.410 189 E HA -0.002 4.319 4.350 -0.048 0.000 0.255 189 E C 0.908 177.500 176.600 -0.013 0.000 1.194 189 E CA 0.222 56.609 56.400 -0.021 0.000 0.955 189 E CB 0.554 30.237 29.700 -0.028 0.000 0.988 189 E HN 0.769 nan 8.360 nan 0.000 0.461 190 A N 1.517 124.331 122.820 -0.010 0.000 2.024 190 A HA -0.209 4.083 4.320 -0.048 0.000 0.220 190 A C 1.329 178.908 177.584 -0.009 0.000 1.164 190 A CA 2.048 54.080 52.037 -0.008 0.000 0.643 190 A CB -0.400 18.596 19.000 -0.007 0.000 0.806 190 A HN 0.585 nan 8.150 nan 0.000 0.451 191 D N -2.786 117.608 120.400 -0.011 0.000 2.339 191 D HA 0.284 4.896 4.640 -0.048 0.000 0.217 191 D C 1.173 177.466 176.300 -0.011 0.000 1.050 191 D CA 1.084 55.077 54.000 -0.012 0.000 0.856 191 D CB -0.272 40.520 40.800 -0.013 0.000 0.922 191 D HN 0.746 nan 8.370 nan 0.000 0.518 192 G N 0.176 108.969 108.800 -0.011 0.000 2.238 192 G HA2 -0.244 3.687 3.960 -0.048 0.000 0.217 192 G HA3 -0.244 3.687 3.960 -0.048 0.000 0.217 192 G C 0.017 174.909 174.900 -0.014 0.000 0.996 192 G CA -0.066 45.028 45.100 -0.009 0.000 0.632 192 G HN 0.429 nan 8.290 nan 0.000 0.503 193 L N 2.523 123.734 121.223 -0.020 0.000 2.628 193 L HA 0.595 4.906 4.340 -0.048 0.000 0.274 193 L C 1.092 177.940 176.870 -0.036 0.000 1.209 193 L CA 0.421 55.245 54.840 -0.027 0.000 0.930 193 L CB 0.132 42.172 42.059 -0.033 0.000 1.183 193 L HN 1.057 nan 8.230 nan 0.000 0.492 194 A N 7.306 130.106 122.820 -0.033 0.000 2.520 194 A HA 0.256 4.548 4.320 -0.048 0.000 0.245 194 A C 0.523 178.053 177.584 -0.089 0.000 1.072 194 A CA -0.501 51.513 52.037 -0.040 0.000 0.761 194 A CB -0.196 18.794 19.000 -0.017 0.000 1.004 194 A HN 0.765 nan 8.150 nan 0.000 0.499 195 M N 2.017 121.538 119.600 -0.132 0.000 2.248 195 M HA 0.131 4.582 4.480 -0.048 0.000 0.343 195 M C 0.586 176.643 176.300 -0.407 0.000 1.243 195 M CA 1.034 56.143 55.300 -0.318 0.000 1.025 195 M CB -0.141 32.237 32.600 -0.369 0.000 1.759 195 M HN 0.837 nan 8.290 nan 0.000 0.452 196 S N 0.840 116.249 115.700 -0.486 0.000 2.543 196 S HA 0.328 4.769 4.470 -0.048 0.000 0.274 196 S C 0.670 175.190 174.600 -0.133 0.000 1.149 196 S CA -0.142 57.917 58.200 -0.234 0.000 0.866 196 S CB 1.198 64.363 63.200 -0.058 0.000 1.111 196 S HN 0.769 nan 8.310 nan 0.000 0.457 197 S N 3.308 119.088 115.700 0.133 0.000 2.469 197 S HA -0.019 4.422 4.470 -0.048 0.000 0.238 197 S C 1.403 175.949 174.600 -0.090 0.000 0.998 197 S CA 0.577 58.832 58.200 0.093 0.000 0.957 197 S CB -0.334 62.946 63.200 0.134 0.000 0.764 197 S HN 0.722 nan 8.310 nan 0.000 0.514 198 R N 0.975 121.469 120.500 -0.010 0.000 2.275 198 R HA 0.229 4.541 4.340 -0.048 0.000 0.199 198 R C 1.364 177.644 176.300 -0.033 0.000 0.989 198 R CA 0.474 56.603 56.100 0.049 0.000 1.016 198 R CB -0.203 30.188 30.300 0.152 0.000 0.918 198 R HN 0.365 nan 8.270 nan 0.000 0.473 199 N N 1.387 120.033 118.700 -0.090 0.000 2.289 199 N HA -0.184 4.527 4.740 -0.048 0.000 0.184 199 N C 1.484 176.917 175.510 -0.129 0.000 1.016 199 N CA 1.107 54.104 53.050 -0.087 0.000 0.872 199 N CB -0.148 38.279 38.487 -0.099 0.000 0.973 199 N HN 0.394 nan 8.380 nan 0.000 0.433 200 R N -0.558 119.781 120.500 -0.269 0.000 2.237 200 R HA -0.061 4.250 4.340 -0.048 0.000 0.219 200 R C 0.538 176.662 176.300 -0.292 0.000 1.080 200 R CA 0.976 56.880 56.100 -0.327 0.000 0.995 200 R CB -0.479 29.543 30.300 -0.463 0.000 0.875 200 R HN 0.219 nan 8.270 nan 0.000 0.462 201 Y N 1.227 121.510 120.300 -0.028 0.000 2.461 201 Y HA 0.328 4.849 4.550 -0.048 0.000 0.277 201 Y C 0.309 176.197 175.900 -0.021 0.000 1.182 201 Y CA -0.608 57.477 58.100 -0.025 0.000 1.276 201 Y CB 0.173 38.617 38.460 -0.026 0.000 1.087 201 Y HN -0.079 nan 8.280 nan 0.000 0.519 202 L N 1.850 123.120 121.223 0.078 0.000 2.276 202 L HA 0.259 4.570 4.340 -0.048 0.000 0.286 202 L C 0.070 176.956 176.870 0.026 0.000 1.061 202 L CA -0.970 53.897 54.840 0.044 0.000 0.807 202 L CB 0.606 42.674 42.059 0.015 0.000 1.177 202 L HN 0.141 nan 8.230 nan 0.000 0.429 203 D N 3.342 123.759 120.400 0.027 0.000 2.371 203 D HA 0.155 4.766 4.640 -0.048 0.000 0.242 203 D C -1.965 174.338 176.300 0.005 0.000 1.218 203 D CA -1.779 52.230 54.000 0.016 0.000 0.945 203 D CB 0.356 41.166 40.800 0.016 0.000 1.137 203 D HN 0.126 nan 8.370 nan 0.000 0.464 204 P HA -0.223 nan 4.420 nan 0.000 0.216 204 P C 1.218 178.516 177.300 -0.002 0.000 1.154 204 P CA 2.783 65.881 63.100 -0.002 0.000 0.865 204 P CB -0.111 31.588 31.700 -0.002 0.000 0.789 205 A N -0.592 122.228 122.820 -0.001 0.000 1.877 205 A HA -0.269 4.022 4.320 -0.048 0.000 0.216 205 A C 2.236 179.819 177.584 -0.002 0.000 1.186 205 A CA 1.795 53.831 52.037 -0.001 0.000 0.620 205 A CB -1.366 17.634 19.000 -0.001 0.000 0.822 205 A HN 0.210 nan 8.150 nan 0.000 0.443 206 Q N -1.268 118.533 119.800 0.001 0.000 2.119 206 Q HA -0.176 4.135 4.340 -0.048 0.000 0.201 206 Q C 2.288 178.287 176.000 -0.002 0.000 0.972 206 Q CA 1.476 57.280 55.803 0.001 0.000 0.847 206 Q CB -0.168 28.575 28.738 0.008 0.000 0.903 206 Q HN 0.547 nan 8.270 nan 0.000 0.433 207 R N 1.230 121.728 120.500 -0.004 0.000 2.091 207 R HA -0.137 4.174 4.340 -0.048 0.000 0.238 207 R C 1.929 178.222 176.300 -0.011 0.000 1.136 207 R CA 1.810 57.904 56.100 -0.010 0.000 0.959 207 R CB -0.805 29.488 30.300 -0.012 0.000 0.856 207 R HN 0.253 nan 8.270 nan 0.000 0.437 208 A N 0.168 122.983 122.820 -0.009 0.000 1.877 208 A HA -0.018 4.273 4.320 -0.048 0.000 0.216 208 A C 2.392 179.971 177.584 -0.009 0.000 1.186 208 A CA 1.878 53.910 52.037 -0.009 0.000 0.620 208 A CB -1.140 17.856 19.000 -0.007 0.000 0.822 208 A HN 0.494 nan 8.150 nan 0.000 0.443 209 A N -0.307 122.508 122.820 -0.008 0.000 1.969 209 A HA 0.230 4.522 4.320 -0.048 0.000 0.218 209 A C 2.383 179.961 177.584 -0.011 0.000 1.169 209 A CA 1.744 53.775 52.037 -0.009 0.000 0.635 209 A CB -0.861 18.134 19.000 -0.008 0.000 0.810 209 A HN 1.096 nan 8.150 nan 0.000 0.445 210 A N -0.615 122.198 122.820 -0.012 0.000 2.125 210 A HA 0.023 4.314 4.320 -0.048 0.000 0.219 210 A C 2.115 179.689 177.584 -0.016 0.000 1.156 210 A CA 1.391 53.419 52.037 -0.015 0.000 0.671 210 A CB -0.862 18.129 19.000 -0.015 0.000 0.794 210 A HN 0.730 nan 8.150 nan 0.000 0.459 211 V N -0.297 119.608 119.914 -0.015 0.000 2.720 211 V HA -0.177 3.915 4.120 -0.048 0.000 0.256 211 V C 2.593 178.679 176.094 -0.013 0.000 1.082 211 V CA 1.906 64.198 62.300 -0.014 0.000 1.101 211 V CB -0.674 31.142 31.823 -0.012 0.000 0.693 211 V HN 0.607 nan 8.190 nan 0.000 0.479 212 A N -0.477 122.335 122.820 -0.013 0.000 2.019 212 A HA -0.119 4.173 4.320 -0.048 0.000 0.219 212 A C 1.995 179.571 177.584 -0.013 0.000 1.164 212 A CA 1.800 53.830 52.037 -0.012 0.000 0.644 212 A CB -0.447 18.546 19.000 -0.012 0.000 0.805 212 A HN 0.528 nan 8.150 nan 0.000 0.449 213 L N 0.517 121.729 121.223 -0.017 0.000 1.994 213 L HA -0.174 4.137 4.340 -0.048 0.000 0.208 213 L C 3.043 179.905 176.870 -0.013 0.000 1.071 213 L CA 2.421 57.249 54.840 -0.020 0.000 0.745 213 L CB -0.739 41.304 42.059 -0.027 0.000 0.892 213 L HN 0.549 nan 8.230 nan 0.000 0.431 214 S N -0.927 114.766 115.700 -0.011 0.000 2.387 214 S HA -0.073 4.368 4.470 -0.048 0.000 0.226 214 S C 2.135 176.736 174.600 0.001 0.000 1.026 214 S CA 0.638 58.835 58.200 -0.005 0.000 0.972 214 S CB -0.712 62.485 63.200 -0.006 0.000 0.814 214 S HN 0.304 nan 8.310 nan 0.000 0.477 215 A N 2.235 125.054 122.820 -0.002 0.000 1.902 215 A HA 0.284 4.576 4.320 -0.048 0.000 0.217 215 A C 2.533 180.121 177.584 0.007 0.000 1.181 215 A CA 1.745 53.782 52.037 0.001 0.000 0.623 215 A CB -1.464 17.533 19.000 -0.004 0.000 0.818 215 A HN 0.827 nan 8.150 nan 0.000 0.443 216 A N -0.220 122.603 122.820 0.003 0.000 1.902 216 A HA -0.018 4.273 4.320 -0.048 0.000 0.217 216 A C 2.185 179.776 177.584 0.012 0.000 1.181 216 A CA 1.456 53.497 52.037 0.006 0.000 0.623 216 A CB -0.589 18.411 19.000 -0.000 0.000 0.818 216 A HN 0.467 nan 8.150 nan 0.000 0.443 217 L N -0.142 121.086 121.223 0.007 0.000 2.017 217 L HA -0.174 4.137 4.340 -0.048 0.000 0.208 217 L C 3.091 179.973 176.870 0.020 0.000 1.073 217 L CA 1.996 56.840 54.840 0.005 0.000 0.745 217 L CB -1.138 40.918 42.059 -0.005 0.000 0.894 217 L HN 0.673 nan 8.230 nan 0.000 0.432 218 T N -2.440 112.138 114.554 0.040 0.000 2.821 218 T HA -0.096 4.225 4.350 -0.048 0.000 0.267 218 T C 1.965 176.765 174.700 0.166 0.000 1.046 218 T CA 0.905 63.065 62.100 0.100 0.000 1.139 218 T CB -0.332 68.590 68.868 0.090 0.000 0.871 218 T HN 0.294 nan 8.240 nan 0.000 0.454 219 A N 2.187 125.060 122.820 0.087 0.000 1.883 219 A HA 0.230 4.521 4.320 -0.048 0.000 0.217 219 A C 2.890 180.526 177.584 0.087 0.000 1.186 219 A CA 2.230 54.315 52.037 0.081 0.000 0.624 219 A CB -1.547 17.476 19.000 0.038 0.000 0.822 219 A HN 0.813 nan 8.150 nan 0.000 0.444 220 A N -0.188 122.662 122.820 0.050 0.000 1.908 220 A HA 0.104 4.395 4.320 -0.048 0.000 0.218 220 A C 2.522 180.112 177.584 0.011 0.000 1.181 220 A CA 2.329 54.383 52.037 0.028 0.000 0.627 220 A CB -1.099 17.907 19.000 0.010 0.000 0.818 220 A HN 1.174 nan 8.150 nan 0.000 0.445 221 A N -1.317 121.496 122.820 -0.012 0.000 1.940 221 A HA -0.205 4.087 4.320 -0.048 0.000 0.219 221 A C 2.033 179.495 177.584 -0.204 0.000 1.176 221 A CA 1.619 53.584 52.037 -0.121 0.000 0.631 221 A CB -0.854 18.038 19.000 -0.180 0.000 0.814 221 A HN 0.720 nan 8.150 nan 0.000 0.446 222 H N -1.140 117.914 119.070 -0.026 0.000 2.448 222 H HA 0.151 4.678 4.556 -0.047 0.000 0.292 222 H C 2.436 177.777 175.328 0.021 0.000 1.035 222 H CA 1.016 57.050 56.048 -0.023 0.000 1.349 222 H CB -0.128 29.614 29.762 -0.033 0.000 1.425 222 H HN 0.541 nan 8.280 nan 0.000 0.539 223 A N 1.236 124.127 122.820 0.119 0.000 2.121 223 A HA 0.035 4.326 4.320 -0.048 0.000 0.218 223 A C 2.502 180.123 177.584 0.062 0.000 1.154 223 A CA 0.998 53.086 52.037 0.086 0.000 0.679 223 A CB -0.444 18.593 19.000 0.061 0.000 0.795 223 A HN 0.386 nan 8.150 nan 0.000 0.458 224 A N 0.033 122.874 122.820 0.035 0.000 2.172 224 A HA -0.019 4.273 4.320 -0.048 0.000 0.216 224 A C 2.241 179.846 177.584 0.035 0.000 1.154 224 A CA 1.936 53.983 52.037 0.017 0.000 0.701 224 A CB -1.206 17.784 19.000 -0.017 0.000 0.789 224 A HN 0.729 nan 8.150 nan 0.000 0.465 225 T N -2.521 112.077 114.554 0.073 0.000 2.881 225 T HA 0.049 4.370 4.350 -0.048 0.000 0.270 225 T C 1.582 176.321 174.700 0.065 0.000 1.068 225 T CA 1.339 63.499 62.100 0.100 0.000 1.131 225 T CB -0.354 68.633 68.868 0.199 0.000 0.871 225 T HN 0.567 nan 8.240 nan 0.000 0.479 226 A N 0.914 123.768 122.820 0.057 0.000 2.251 226 A HA 0.647 4.939 4.320 -0.048 0.000 0.209 226 A C 1.285 178.885 177.584 0.026 0.000 1.187 226 A CA 0.303 52.363 52.037 0.038 0.000 0.823 226 A CB -0.819 18.204 19.000 0.038 0.000 0.846 226 A HN 1.367 nan 8.150 nan 0.000 0.486 227 G N -2.733 106.081 108.800 0.024 0.000 2.541 227 G HA2 0.306 4.238 3.960 -0.048 0.000 0.686 227 G HA3 0.306 4.238 3.960 -0.048 0.000 0.686 227 G C 0.714 175.621 174.900 0.012 0.000 1.286 227 G CA -0.228 44.882 45.100 0.015 0.000 0.894 227 G HN 1.170 nan 8.290 nan 0.000 0.575 228 A N -0.775 122.050 122.820 0.008 0.000 1.898 228 A HA 0.042 4.333 4.320 -0.048 0.000 0.216 228 A C 2.303 179.892 177.584 0.008 0.000 1.181 228 A CA 2.696 54.736 52.037 0.005 0.000 0.620 228 A CB -0.507 18.494 19.000 0.002 0.000 0.819 228 A HN 1.334 nan 8.150 nan 0.000 0.442 229 Q N -0.010 119.796 119.800 0.009 0.000 2.050 229 Q HA -0.072 4.239 4.340 -0.048 0.000 0.202 229 Q C 2.058 178.065 176.000 0.013 0.000 0.980 229 Q CA 2.288 58.097 55.803 0.010 0.000 0.840 229 Q CB -0.592 28.151 28.738 0.009 0.000 0.898 229 Q HN 0.553 nan 8.270 nan 0.000 0.424 230 A N 0.280 123.109 122.820 0.015 0.000 1.902 230 A HA -0.069 4.222 4.320 -0.048 0.000 0.217 230 A C 2.300 179.897 177.584 0.021 0.000 1.181 230 A CA 1.953 54.001 52.037 0.020 0.000 0.623 230 A CB -1.277 17.738 19.000 0.025 0.000 0.818 230 A HN 0.538 nan 8.150 nan 0.000 0.443 231 A N -0.232 122.599 122.820 0.018 0.000 1.865 231 A HA -0.083 4.208 4.320 -0.048 0.000 0.217 231 A C 2.209 179.802 177.584 0.015 0.000 1.191 231 A CA 1.588 53.635 52.037 0.016 0.000 0.623 231 A CB -0.724 18.279 19.000 0.006 0.000 0.826 231 A HN 0.468 nan 8.150 nan 0.000 0.444 232 L N -0.538 120.692 121.223 0.013 0.000 2.012 232 L HA -0.222 4.089 4.340 -0.048 0.000 0.210 232 L C 2.151 179.030 176.870 0.015 0.000 1.073 232 L CA 1.644 56.493 54.840 0.014 0.000 0.748 232 L CB -0.647 41.421 42.059 0.014 0.000 0.891 232 L HN 0.326 nan 8.230 nan 0.000 0.431 233 D N -0.162 120.247 120.400 0.015 0.000 2.178 233 D HA -0.130 4.481 4.640 -0.048 0.000 0.202 233 D C 2.188 178.497 176.300 0.015 0.000 0.974 233 D CA 1.333 55.342 54.000 0.014 0.000 0.841 233 D CB -0.040 40.768 40.800 0.014 0.000 0.953 233 D HN 0.323 nan 8.370 nan 0.000 0.478 234 A N 1.048 123.879 122.820 0.018 0.000 1.877 234 A HA -0.039 4.252 4.320 -0.048 0.000 0.216 234 A C 2.322 179.916 177.584 0.016 0.000 1.186 234 A CA 2.184 54.233 52.037 0.020 0.000 0.620 234 A CB -0.806 18.210 19.000 0.028 0.000 0.822 234 A HN 0.226 nan 8.150 nan 0.000 0.443 235 A N -0.088 122.742 122.820 0.016 0.000 1.883 235 A HA -0.191 4.100 4.320 -0.048 0.000 0.217 235 A C 2.195 179.784 177.584 0.009 0.000 1.186 235 A CA 2.279 54.323 52.037 0.012 0.000 0.624 235 A CB -0.477 18.530 19.000 0.012 0.000 0.822 235 A HN 0.498 nan 8.150 nan 0.000 0.444 236 R N 0.151 120.657 120.500 0.011 0.000 2.096 236 R HA -0.026 4.285 4.340 -0.048 0.000 0.235 236 R C 2.101 178.405 176.300 0.006 0.000 1.127 236 R CA 1.929 58.035 56.100 0.009 0.000 0.968 236 R CB -0.800 29.507 30.300 0.012 0.000 0.861 236 R HN 0.391 nan 8.270 nan 0.000 0.440 237 A N -0.192 122.632 122.820 0.008 0.000 1.877 237 A HA -0.090 4.201 4.320 -0.048 0.000 0.216 237 A C 2.315 179.902 177.584 0.004 0.000 1.186 237 A CA 1.766 53.807 52.037 0.006 0.000 0.620 237 A CB -0.738 18.267 19.000 0.008 0.000 0.822 237 A HN 0.189 nan 8.150 nan 0.000 0.443 238 V N 0.093 120.009 119.914 0.004 0.000 2.295 238 V HA -0.262 3.829 4.120 -0.048 0.000 0.246 238 V C 2.580 178.673 176.094 -0.002 0.000 1.049 238 V CA 2.013 64.314 62.300 0.001 0.000 1.024 238 V CB -0.829 30.995 31.823 0.002 0.000 0.648 238 V HN 0.562 nan 8.190 nan 0.000 0.447 239 L N -0.202 121.019 121.223 -0.003 0.000 2.046 239 L HA -0.188 4.124 4.340 -0.048 0.000 0.208 239 L C 2.325 179.191 176.870 -0.006 0.000 1.077 239 L CA 1.549 56.385 54.840 -0.007 0.000 0.747 239 L CB -0.769 41.284 42.059 -0.010 0.000 0.896 239 L HN 0.314 nan 8.230 nan 0.000 0.432 240 D N 0.228 120.627 120.400 -0.002 0.000 2.218 240 D HA -0.136 4.476 4.640 -0.048 0.000 0.204 240 D C 2.075 178.374 176.300 -0.002 0.000 0.976 240 D CA 1.336 55.335 54.000 -0.002 0.000 0.853 240 D CB 0.028 40.829 40.800 0.001 0.000 0.939 240 D HN 0.329 nan 8.370 nan 0.000 0.481 241 A N 0.008 122.827 122.820 -0.002 0.000 2.206 241 A HA 0.352 4.644 4.320 -0.048 0.000 0.211 241 A C 1.140 178.722 177.584 -0.004 0.000 1.158 241 A CA 0.489 52.524 52.037 -0.002 0.000 0.761 241 A CB -0.004 18.995 19.000 -0.002 0.000 0.801 241 A HN 0.151 nan 8.150 nan 0.000 0.473 242 A N 1.670 124.486 122.820 -0.005 0.000 2.260 242 A HA 0.592 4.883 4.320 -0.048 0.000 0.308 242 A C -2.541 175.038 177.584 -0.007 0.000 1.254 242 A CA -1.805 50.228 52.037 -0.007 0.000 0.874 242 A CB 0.112 19.106 19.000 -0.009 0.000 1.153 242 A HN 0.196 nan 8.150 nan 0.000 0.527 243 P HA 0.139 nan 4.420 nan 0.000 0.260 243 P C 0.826 178.122 177.300 -0.007 0.000 1.207 243 P CA 1.387 64.484 63.100 -0.006 0.000 0.780 243 P CB 0.314 32.011 31.700 -0.005 0.000 0.789 244 G N 2.386 111.182 108.800 -0.007 0.000 2.221 244 G HA2 -0.204 3.728 3.960 -0.048 0.000 0.265 244 G HA3 -0.204 3.728 3.960 -0.048 0.000 0.265 244 G C -0.033 174.861 174.900 -0.010 0.000 1.041 244 G CA -0.258 44.838 45.100 -0.008 0.000 0.807 244 G HN 0.515 nan 8.290 nan 0.000 0.502 245 V N 0.510 120.417 119.914 -0.012 0.000 2.364 245 V HA 0.688 4.780 4.120 -0.048 0.000 0.272 245 V C 0.699 176.782 176.094 -0.019 0.000 1.036 245 V CA -0.015 62.274 62.300 -0.018 0.000 0.880 245 V CB 1.450 33.262 31.823 -0.019 0.000 0.991 245 V HN 1.095 nan 8.190 nan 0.000 0.460 246 A N 5.742 128.548 122.820 -0.023 0.000 2.256 246 A HA 0.681 4.972 4.320 -0.048 0.000 0.317 246 A C -0.385 177.177 177.584 -0.036 0.000 1.318 246 A CA -0.460 51.563 52.037 -0.023 0.000 0.894 246 A CB 0.750 19.738 19.000 -0.018 0.000 1.165 246 A HN 0.624 nan 8.150 nan 0.000 0.525 247 V N 3.658 123.551 119.914 -0.034 0.000 2.508 247 V HA 0.053 4.144 4.120 -0.048 0.000 0.281 247 V C 0.605 176.672 176.094 -0.046 0.000 1.041 247 V CA 0.114 62.383 62.300 -0.052 0.000 1.016 247 V CB 0.760 32.563 31.823 -0.034 0.000 0.984 247 V HN 0.945 nan 8.190 nan 0.000 0.478 248 D N 2.825 123.169 120.400 -0.093 0.000 2.144 248 D HA 0.065 4.676 4.640 -0.048 0.000 0.207 248 D C 0.125 176.450 176.300 0.041 0.000 0.970 248 D CA 1.675 55.645 54.000 -0.050 0.000 0.853 248 D CB 0.204 40.946 40.800 -0.098 0.000 1.007 248 D HN 0.717 nan 8.370 nan 0.000 0.469 249 Y N -1.414 118.893 120.300 0.011 0.000 2.625 249 Y HA 0.621 5.141 4.550 -0.049 0.000 0.338 249 Y C -1.674 174.232 175.900 0.010 0.000 1.123 249 Y CA -1.730 56.377 58.100 0.012 0.000 1.046 249 Y CB 1.218 39.688 38.460 0.017 0.000 1.299 249 Y HN -0.198 nan 8.280 nan 0.000 0.464 250 L N 1.922 123.303 121.223 0.263 0.000 2.541 250 L HA 0.621 4.932 4.340 -0.048 0.000 0.266 250 L C -1.667 175.303 176.870 0.166 0.000 0.966 250 L CA -0.214 54.733 54.840 0.180 0.000 0.871 250 L CB 1.835 43.937 42.059 0.072 0.000 1.232 250 L HN 0.861 nan 8.230 nan 0.000 0.408 251 E N 4.034 124.337 120.200 0.171 0.000 2.292 251 E HA 0.457 4.778 4.350 -0.048 0.000 0.272 251 E C -1.754 174.869 176.600 0.037 0.000 0.881 251 E CA -1.016 55.428 56.400 0.074 0.000 0.754 251 E CB 2.967 32.676 29.700 0.015 0.000 1.201 251 E HN 0.482 nan 8.360 nan 0.000 0.425 252 L N 3.462 124.693 121.223 0.013 0.000 2.265 252 L HA 0.433 4.744 4.340 -0.048 0.000 0.289 252 L C -0.759 176.104 176.870 -0.012 0.000 1.033 252 L CA 0.041 54.878 54.840 -0.004 0.000 0.814 252 L CB 0.452 42.509 42.059 -0.004 0.000 1.203 252 L HN 0.458 nan 8.230 nan 0.000 0.423 253 R N 2.522 123.011 120.500 -0.018 0.000 2.912 253 R HA 0.354 4.665 4.340 -0.048 0.000 0.262 253 R C -1.087 175.207 176.300 -0.010 0.000 1.057 253 R CA -1.134 54.958 56.100 -0.013 0.000 0.981 253 R CB 1.421 31.716 30.300 -0.008 0.000 1.201 253 R HN 0.689 nan 8.270 nan 0.000 0.484 254 D N 0.484 120.882 120.400 -0.002 0.000 2.390 254 D HA -0.054 4.557 4.640 -0.048 0.000 0.236 254 D C 1.519 177.839 176.300 0.033 0.000 1.189 254 D CA 0.037 54.041 54.000 0.006 0.000 0.887 254 D CB 0.697 41.499 40.800 0.002 0.000 1.198 254 D HN 0.512 nan 8.370 nan 0.000 0.444 255 I N -0.454 120.142 120.570 0.043 0.000 2.454 255 I HA 0.054 4.195 4.170 -0.048 0.000 0.254 255 I C 1.736 177.950 176.117 0.161 0.000 1.156 255 I CA 1.326 62.694 61.300 0.112 0.000 1.433 255 I CB -0.442 37.615 38.000 0.095 0.000 1.082 255 I HN 0.354 nan 8.210 nan 0.000 0.432 256 G N 0.594 109.432 108.800 0.063 0.000 2.985 256 G HA2 0.261 4.193 3.960 -0.048 0.000 0.209 256 G HA3 0.261 4.193 3.960 -0.048 0.000 0.209 256 G C 1.105 176.004 174.900 -0.001 0.000 1.165 256 G CA 0.120 45.227 45.100 0.010 0.000 0.776 256 G HN 0.519 nan 8.290 nan 0.000 0.541 257 L N -1.920 119.327 121.223 0.041 0.000 4.813 257 L HA -0.211 4.100 4.340 -0.048 0.000 0.434 257 L C 1.539 178.392 176.870 -0.028 0.000 1.106 257 L CA 0.387 55.236 54.840 0.015 0.000 0.991 257 L CB -1.819 40.249 42.059 0.015 0.000 2.005 257 L HN 0.374 nan 8.230 nan 0.000 0.817 258 G N -0.174 108.607 108.800 -0.031 0.000 2.702 258 G HA2 0.592 4.523 3.960 -0.048 0.000 0.254 258 G HA3 0.592 4.523 3.960 -0.048 0.000 0.254 258 G C -2.117 172.763 174.900 -0.034 0.000 1.380 258 G CA -0.112 44.962 45.100 -0.044 0.000 1.042 258 G HN 0.062 nan 8.290 nan 0.000 0.557 259 P HA 0.220 nan 4.420 nan 0.000 0.238 259 P C -0.849 176.438 177.300 -0.021 0.000 1.714 259 P CA 0.480 63.564 63.100 -0.027 0.000 0.908 259 P CB -0.376 31.308 31.700 -0.028 0.000 1.893 260 M N 1.585 121.173 119.600 -0.019 0.000 2.433 260 M HA 0.415 4.866 4.480 -0.048 0.000 0.290 260 M C -2.526 173.767 176.300 -0.012 0.000 1.173 260 M CA -2.162 53.129 55.300 -0.015 0.000 0.905 260 M CB 3.052 35.644 32.600 -0.014 0.000 1.692 260 M HN -0.151 nan 8.290 nan 0.000 0.462 261 P HA 0.190 nan 4.420 nan 0.000 0.274 261 P C -1.028 176.268 177.300 -0.008 0.000 1.231 261 P CA -0.627 62.468 63.100 -0.009 0.000 0.790 261 P CB 0.627 32.322 31.700 -0.007 0.000 0.951 262 L N 2.464 123.682 121.223 -0.008 0.000 2.513 262 L HA 0.031 4.342 4.340 -0.048 0.000 0.272 262 L C 1.022 177.888 176.870 -0.006 0.000 1.187 262 L CA 0.532 55.368 54.840 -0.007 0.000 0.895 262 L CB -0.662 41.392 42.059 -0.008 0.000 1.147 262 L HN 0.587 nan 8.230 nan 0.000 0.483 263 N N 2.660 121.357 118.700 -0.005 0.000 1.828 263 N HA 0.333 5.044 4.740 -0.048 0.000 0.179 263 N C 1.092 176.599 175.510 -0.004 0.000 1.289 263 N CA -0.100 52.948 53.050 -0.004 0.000 1.010 263 N CB -0.359 38.126 38.487 -0.003 0.000 1.248 263 N HN 0.456 nan 8.380 nan 0.000 0.352 264 G N -1.142 107.656 108.800 -0.004 0.000 2.662 264 G HA2 0.181 4.113 3.960 -0.048 0.000 0.212 264 G HA3 0.181 4.113 3.960 -0.048 0.000 0.212 264 G C -0.223 174.672 174.900 -0.009 0.000 1.141 264 G CA -0.006 45.092 45.100 -0.004 0.000 0.797 264 G HN 0.397 nan 8.290 nan 0.000 0.531 265 S N -0.528 115.166 115.700 -0.010 0.000 2.561 265 S HA 0.716 5.158 4.470 -0.048 0.000 0.303 265 S C 0.065 174.655 174.600 -0.016 0.000 1.110 265 S CA -0.275 57.917 58.200 -0.014 0.000 1.034 265 S CB 1.919 65.114 63.200 -0.008 0.000 1.010 265 S HN 0.532 nan 8.310 nan 0.000 0.482 266 G N 1.443 110.225 108.800 -0.030 0.000 2.788 266 G HA2 0.757 4.688 3.960 -0.048 0.000 0.293 266 G HA3 0.757 4.688 3.960 -0.048 0.000 0.293 266 G C -1.716 173.138 174.900 -0.077 0.000 1.392 266 G CA -0.775 44.302 45.100 -0.037 0.000 0.810 266 G HN 0.500 nan 8.290 nan 0.000 0.508 267 R N -0.923 119.517 120.500 -0.100 0.000 2.575 267 R HA 0.626 4.938 4.340 -0.048 0.000 0.293 267 R C -1.624 174.600 176.300 -0.128 0.000 0.983 267 R CA -0.667 55.315 56.100 -0.197 0.000 0.887 267 R CB 1.610 31.676 30.300 -0.391 0.000 1.184 267 R HN 0.499 nan 8.270 nan 0.000 0.445 268 L N 5.358 126.513 121.223 -0.115 0.000 2.272 268 L HA 0.594 4.905 4.340 -0.048 0.000 0.289 268 L C -1.694 175.157 176.870 -0.032 0.000 1.032 268 L CA -0.285 54.525 54.840 -0.050 0.000 0.810 268 L CB 1.100 43.139 42.059 -0.034 0.000 1.205 268 L HN 0.612 nan 8.230 nan 0.000 0.422 269 L N 5.860 127.108 121.223 0.042 0.000 2.346 269 L HA 0.762 5.073 4.340 -0.048 0.000 0.276 269 L C -0.591 176.394 176.870 0.193 0.000 1.006 269 L CA -0.602 54.315 54.840 0.128 0.000 0.817 269 L CB 1.954 44.142 42.059 0.215 0.000 1.272 269 L HN 0.409 nan 8.230 nan 0.000 0.421 270 V N 1.793 121.760 119.914 0.088 0.000 2.789 270 V HA 0.958 5.050 4.120 -0.048 0.000 0.311 270 V C -1.102 174.812 176.094 -0.299 0.000 1.073 270 V CA -0.234 62.018 62.300 -0.080 0.000 0.921 270 V CB 1.943 33.732 31.823 -0.056 0.000 1.009 270 V HN 0.892 nan 8.190 nan 0.000 0.426 271 A N 4.869 127.284 122.820 -0.676 0.000 2.393 271 A HA 1.049 5.340 4.320 -0.048 0.000 0.306 271 A C -0.537 176.829 177.584 -0.364 0.000 1.050 271 A CA -0.005 51.696 52.037 -0.561 0.000 0.724 271 A CB 1.847 20.324 19.000 -0.872 0.000 1.248 271 A HN 2.122 nan 8.150 nan 0.000 0.424 272 A N 1.862 124.564 122.820 -0.197 0.000 2.572 272 A HA 0.820 5.111 4.320 -0.048 0.000 0.295 272 A C -0.675 176.862 177.584 -0.078 0.000 1.072 272 A CA -0.708 51.255 52.037 -0.123 0.000 0.691 272 A CB 1.258 20.203 19.000 -0.091 0.000 1.291 272 A HN 0.808 nan 8.150 nan 0.000 0.404 273 R N 0.084 120.551 120.500 -0.055 0.000 2.407 273 R HA 0.611 4.922 4.340 -0.048 0.000 0.303 273 R C -1.501 174.785 176.300 -0.024 0.000 0.981 273 R CA -0.461 55.618 56.100 -0.034 0.000 0.905 273 R CB 1.277 31.560 30.300 -0.029 0.000 1.099 273 R HN 0.503 nan 8.270 nan 0.000 0.459 274 L N 3.305 124.520 121.223 -0.014 0.000 2.337 274 L HA 0.347 4.659 4.340 -0.048 0.000 0.269 274 L C 0.931 177.800 176.870 -0.002 0.000 1.018 274 L CA 0.289 55.125 54.840 -0.007 0.000 0.876 274 L CB 1.498 43.556 42.059 -0.002 0.000 1.236 274 L HN 0.974 nan 8.230 nan 0.000 0.436 275 G N 2.330 111.126 108.800 -0.006 0.000 2.596 275 G HA2 -0.422 3.510 3.960 -0.048 0.000 0.304 275 G HA3 -0.422 3.510 3.960 -0.048 0.000 0.304 275 G C 0.838 175.730 174.900 -0.014 0.000 1.189 275 G CA 0.690 45.785 45.100 -0.007 0.000 0.986 275 G HN 0.644 nan 8.290 nan 0.000 0.548 276 T N -1.910 112.632 114.554 -0.019 0.000 3.060 276 T HA 0.422 4.744 4.350 -0.048 0.000 0.249 276 T C 0.968 175.648 174.700 -0.033 0.000 1.079 276 T CA 1.453 63.532 62.100 -0.034 0.000 1.013 276 T CB 0.115 68.948 68.868 -0.057 0.000 0.975 276 T HN 0.774 nan 8.240 nan 0.000 0.518 277 T N 2.959 117.509 114.554 -0.008 0.000 2.749 277 T HA 0.394 4.715 4.350 -0.048 0.000 0.295 277 T C -0.226 174.480 174.700 0.011 0.000 0.936 277 T CA -0.544 61.569 62.100 0.022 0.000 1.060 277 T CB 1.257 70.169 68.868 0.074 0.000 0.904 277 T HN 0.270 nan 8.240 nan 0.000 0.500 278 R N 3.598 124.104 120.500 0.011 0.000 2.265 278 R HA 0.558 4.870 4.340 -0.048 0.000 0.319 278 R C -0.950 175.350 176.300 -0.001 0.000 1.006 278 R CA -0.533 55.561 56.100 -0.010 0.000 0.880 278 R CB 0.410 30.697 30.300 -0.022 0.000 1.077 278 R HN 0.579 nan 8.270 nan 0.000 0.454 279 L N 5.662 126.870 121.223 -0.024 0.000 2.342 279 L HA 0.556 4.867 4.340 -0.048 0.000 0.271 279 L C -0.653 176.191 176.870 -0.043 0.000 1.008 279 L CA -0.975 53.854 54.840 -0.018 0.000 0.818 279 L CB 1.814 43.862 42.059 -0.019 0.000 1.296 279 L HN 0.476 nan 8.230 nan 0.000 0.427 280 L N 1.528 122.742 121.223 -0.014 0.000 2.341 280 L HA 0.702 5.014 4.340 -0.048 0.000 0.267 280 L C -1.155 175.721 176.870 0.009 0.000 1.009 280 L CA -0.577 54.258 54.840 -0.008 0.000 0.819 280 L CB 2.195 44.287 42.059 0.054 0.000 1.323 280 L HN 0.530 nan 8.230 nan 0.000 0.425 281 D N 0.572 120.978 120.400 0.011 0.000 2.622 281 D HA 0.467 5.079 4.640 -0.048 0.000 0.255 281 D C -1.796 174.519 176.300 0.025 0.000 1.246 281 D CA -0.323 53.689 54.000 0.020 0.000 0.795 281 D CB 2.583 43.381 40.800 -0.002 0.000 1.369 281 D HN 0.722 nan 8.370 nan 0.000 0.425 282 N N 0.050 118.755 118.700 0.007 0.000 2.927 282 N HA 0.658 5.369 4.740 -0.048 0.000 0.248 282 N C -1.720 173.745 175.510 -0.075 0.000 1.443 282 N CA -0.776 52.249 53.050 -0.041 0.000 0.870 282 N CB 1.685 40.128 38.487 -0.073 0.000 1.444 282 N HN 0.418 nan 8.380 nan 0.000 0.519 283 I N -0.631 119.867 120.570 -0.121 0.000 2.918 283 I HA 0.707 4.848 4.170 -0.048 0.000 0.301 283 I C -1.063 174.964 176.117 -0.151 0.000 1.312 283 I CA -1.111 60.125 61.300 -0.108 0.000 1.007 283 I CB 2.096 40.059 38.000 -0.061 0.000 1.281 283 I HN 0.960 nan 8.210 nan 0.000 0.440 284 A N 6.922 129.666 122.820 -0.127 0.000 2.440 284 A HA 0.579 4.870 4.320 -0.048 0.000 0.251 284 A C -0.726 176.797 177.584 -0.101 0.000 1.089 284 A CA 0.027 51.993 52.037 -0.117 0.000 0.779 284 A CB 0.102 19.055 19.000 -0.079 0.000 1.022 284 A HN 0.456 nan 8.150 nan 0.000 0.492 285 I N 1.987 122.502 120.570 -0.091 0.000 2.466 285 I HA 0.311 4.452 4.170 -0.048 0.000 0.289 285 I C -0.608 175.472 176.117 -0.062 0.000 1.026 285 I CA -0.359 60.894 61.300 -0.078 0.000 1.078 285 I CB 1.718 39.681 38.000 -0.063 0.000 1.249 285 I HN 0.725 nan 8.210 nan 0.000 0.429 286 E N 6.050 126.211 120.200 -0.065 0.000 2.133 286 E HA 0.455 4.776 4.350 -0.048 0.000 0.274 286 E C -0.533 176.051 176.600 -0.027 0.000 0.930 286 E CA -0.542 55.833 56.400 -0.042 0.000 0.770 286 E CB 2.025 31.701 29.700 -0.041 0.000 1.104 286 E HN 0.269 nan 8.360 nan 0.000 0.403 287 I N 2.550 123.112 120.570 -0.014 0.000 2.416 287 I HA 0.226 4.367 4.170 -0.048 0.000 0.288 287 I C 1.403 177.526 176.117 0.009 0.000 1.051 287 I CA 0.299 61.597 61.300 -0.003 0.000 1.375 287 I CB 0.283 38.281 38.000 -0.003 0.000 1.407 287 I HN 0.885 nan 8.210 nan 0.000 0.516 288 G N 4.689 113.502 108.800 0.021 0.000 2.198 288 G HA2 -0.226 3.706 3.960 -0.048 0.000 0.260 288 G HA3 -0.226 3.706 3.960 -0.048 0.000 0.260 288 G C 0.270 175.200 174.900 0.050 0.000 1.025 288 G CA 0.156 45.277 45.100 0.034 0.000 0.769 288 G HN 0.605 nan 8.290 nan 0.000 0.507 289 T N -0.023 114.564 114.554 0.056 0.000 2.881 289 T HA 0.558 4.879 4.350 -0.048 0.000 0.291 289 T C -0.555 174.206 174.700 0.102 0.000 0.990 289 T CA -0.461 61.680 62.100 0.067 0.000 0.976 289 T CB 1.719 70.600 68.868 0.021 0.000 0.970 289 T HN 0.394 nan 8.240 nan 0.000 0.438 290 F N 0.000 119.943 119.950 -0.011 0.000 2.286 290 F HA 0.000 4.499 4.527 -0.047 0.000 0.279 290 F CA 0.000 58.000 58.000 -0.001 0.000 1.383 290 F CB 0.000 39.007 39.000 0.012 0.000 1.145 290 F HN 0.000 nan 8.300 nan 0.000 0.574