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 3le8_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 0.000 176.096 176.117 -0.036 0.000 1.063 3 I CA 0.000 61.256 61.300 -0.073 0.000 1.566 3 I CB 0.000 37.968 38.000 -0.053 0.000 1.214 4 P HA 0.578 nan 4.420 nan 0.000 0.297 4 P C -0.367 176.973 177.300 0.066 0.000 1.303 4 P CA -0.512 62.617 63.100 0.048 0.000 0.753 4 P CB 0.543 32.319 31.700 0.128 0.000 1.281 5 A N -0.151 122.711 122.820 0.069 0.000 2.425 5 A HA 0.395 4.689 4.320 -0.043 0.000 0.249 5 A C -0.853 176.724 177.584 -0.012 0.000 1.084 5 A CA 0.064 52.063 52.037 -0.063 0.000 0.781 5 A CB -0.790 18.085 19.000 -0.207 0.000 1.019 5 A HN 0.466 nan 8.150 nan 0.000 0.490 6 F N 2.635 122.437 119.950 -0.247 0.000 2.496 6 F HA 0.452 4.953 4.527 -0.043 0.000 0.341 6 F C -0.499 175.175 175.800 -0.209 0.000 1.134 6 F CA -0.488 57.425 58.000 -0.144 0.000 0.968 6 F CB 1.193 40.189 39.000 -0.007 0.000 1.205 6 F HN 0.687 nan 8.300 nan 0.000 0.436 7 H N 6.626 125.395 119.070 -0.501 0.000 2.685 7 H HA 0.334 4.864 4.556 -0.043 0.000 0.286 7 H C -2.358 172.512 175.328 -0.764 0.000 1.102 7 H CA -2.065 53.699 56.048 -0.472 0.000 1.254 7 H CB 0.575 30.192 29.762 -0.242 0.000 1.397 7 H HN 0.389 nan 8.280 nan 0.000 0.473 8 P HA -0.026 nan 4.420 nan 0.000 0.268 8 P C 1.093 178.293 177.300 -0.166 0.000 1.208 8 P CA 0.574 63.458 63.100 -0.360 0.000 0.777 8 P CB 0.685 32.358 31.700 -0.044 0.000 0.875 9 G N 0.452 109.196 108.800 -0.093 0.000 2.200 9 G HA2 -0.284 3.650 3.960 -0.043 0.000 0.267 9 G HA3 -0.284 3.650 3.960 -0.043 0.000 0.267 9 G C -0.054 174.802 174.900 -0.072 0.000 0.993 9 G CA 0.408 45.475 45.100 -0.055 0.000 0.701 9 G HN 0.592 nan 8.290 nan 0.000 0.524 10 E N -1.601 118.530 120.200 -0.115 0.000 2.339 10 E HA 0.665 4.989 4.350 -0.043 0.000 0.262 10 E C -0.584 175.966 176.600 -0.085 0.000 0.934 10 E CA -1.258 55.089 56.400 -0.088 0.000 0.802 10 E CB 1.667 31.320 29.700 -0.079 0.000 1.275 10 E HN 0.139 nan 8.360 nan 0.000 0.427 11 L N 2.357 123.547 121.223 -0.056 0.000 2.278 11 L HA 0.259 4.573 4.340 -0.043 0.000 0.287 11 L C -1.013 175.812 176.870 -0.075 0.000 1.072 11 L CA 0.049 54.864 54.840 -0.042 0.000 0.819 11 L CB 0.084 42.126 42.059 -0.028 0.000 1.176 11 L HN 0.363 nan 8.230 nan 0.000 0.435 12 N N 4.815 123.460 118.700 -0.091 0.000 2.419 12 N HA 0.373 5.087 4.740 -0.043 0.000 0.277 12 N C -1.262 174.039 175.510 -0.350 0.000 1.006 12 N CA -0.458 52.452 53.050 -0.232 0.000 0.923 12 N CB 2.250 40.644 38.487 -0.154 0.000 1.140 12 N HN 0.330 nan 8.380 nan 0.000 0.488 13 V N 3.310 122.957 119.914 -0.445 0.000 2.417 13 V HA 0.399 4.493 4.120 -0.043 0.000 0.291 13 V C -1.068 174.764 176.094 -0.436 0.000 1.024 13 V CA -0.639 61.489 62.300 -0.286 0.000 0.861 13 V CB 0.409 32.161 31.823 -0.117 0.000 0.985 13 V HN 0.499 nan 8.190 nan 0.000 0.436 14 Y N 1.958 122.345 120.300 0.144 0.000 2.391 14 Y HA 0.412 4.935 4.550 -0.044 0.000 0.341 14 Y C 1.153 177.195 175.900 0.237 0.000 0.965 14 Y CA -0.714 57.484 58.100 0.163 0.000 1.067 14 Y CB 2.458 41.010 38.460 0.153 0.000 1.199 14 Y HN 0.659 nan 8.280 nan 0.000 0.450 15 S N 0.611 116.495 115.700 0.308 0.000 2.483 15 S HA 0.374 4.818 4.470 -0.043 0.000 0.221 15 S C 0.867 175.629 174.600 0.270 0.000 1.030 15 S CA 0.134 58.458 58.200 0.206 0.000 0.925 15 S CB 0.109 63.372 63.200 0.105 0.000 0.795 15 S HN 0.593 nan 8.310 nan 0.000 0.511 16 A N 3.011 125.990 122.820 0.265 0.000 2.362 16 A HA 0.626 4.920 4.320 -0.043 0.000 0.276 16 A C -1.536 176.173 177.584 0.210 0.000 1.153 16 A CA -1.635 50.514 52.037 0.188 0.000 0.813 16 A CB 0.346 19.407 19.000 0.103 0.000 1.081 16 A HN 0.161 nan 8.150 nan 0.000 0.507 17 P HA -0.127 nan 4.420 nan 0.000 0.216 17 P C 1.757 178.966 177.300 -0.151 0.000 1.150 17 P CA 1.893 65.003 63.100 0.016 0.000 0.837 17 P CB 0.171 31.913 31.700 0.070 0.000 0.786 18 G N -0.145 108.604 108.800 -0.084 0.000 2.442 18 G HA2 -0.265 3.669 3.960 -0.043 0.000 0.219 18 G HA3 -0.265 3.669 3.960 -0.043 0.000 0.219 18 G C 1.190 175.992 174.900 -0.163 0.000 1.141 18 G CA 1.034 46.067 45.100 -0.112 0.000 0.763 18 G HN 0.188 nan 8.290 nan 0.000 0.554 19 D N -0.180 120.128 120.400 -0.153 0.000 2.097 19 D HA -0.080 4.534 4.640 -0.043 0.000 0.197 19 D C 2.572 178.565 176.300 -0.512 0.000 0.984 19 D CA 0.753 54.600 54.000 -0.255 0.000 0.826 19 D CB -0.698 40.023 40.800 -0.131 0.000 0.973 19 D HN 0.128 nan 8.370 nan 0.000 0.460 20 V N 0.632 120.228 119.914 -0.529 0.000 2.515 20 V HA -0.152 3.942 4.120 -0.043 0.000 0.250 20 V C 2.110 177.907 176.094 -0.495 0.000 1.058 20 V CA 1.835 63.749 62.300 -0.642 0.000 1.064 20 V CB -0.389 31.017 31.823 -0.694 0.000 0.675 20 V HN 0.179 nan 8.190 nan 0.000 0.461 21 A N -0.441 122.132 122.820 -0.410 0.000 1.873 21 A HA -0.214 4.080 4.320 -0.043 0.000 0.215 21 A C 1.962 179.392 177.584 -0.256 0.000 1.186 21 A CA 1.958 53.816 52.037 -0.299 0.000 0.616 21 A CB -0.688 18.174 19.000 -0.231 0.000 0.823 21 A HN 0.576 nan 8.150 nan 0.000 0.442 22 D N -0.265 119.982 120.400 -0.255 0.000 2.117 22 D HA -0.101 4.513 4.640 -0.043 0.000 0.197 22 D C 2.088 178.244 176.300 -0.240 0.000 0.987 22 D CA 1.450 55.323 54.000 -0.212 0.000 0.829 22 D CB -0.431 40.258 40.800 -0.184 0.000 0.961 22 D HN 0.206 nan 8.370 nan 0.000 0.460 23 V N 0.529 120.244 119.914 -0.332 0.000 2.343 23 V HA -0.211 3.883 4.120 -0.043 0.000 0.247 23 V C 2.562 178.454 176.094 -0.337 0.000 1.051 23 V CA 1.866 63.951 62.300 -0.358 0.000 1.036 23 V CB -0.609 30.929 31.823 -0.475 0.000 0.654 23 V HN 0.199 nan 8.190 nan 0.000 0.451 24 S N -0.120 115.397 115.700 -0.305 0.000 2.368 24 S HA -0.191 4.253 4.470 -0.043 0.000 0.225 24 S C 2.172 176.655 174.600 -0.195 0.000 1.030 24 S CA 1.207 59.261 58.200 -0.243 0.000 0.999 24 S CB -0.198 62.873 63.200 -0.216 0.000 0.844 24 S HN 0.490 nan 8.310 nan 0.000 0.459 25 R N 1.342 121.735 120.500 -0.179 0.000 2.115 25 R HA 0.223 4.537 4.340 -0.043 0.000 0.226 25 R C 2.518 178.740 176.300 -0.130 0.000 1.100 25 R CA 1.168 57.186 56.100 -0.136 0.000 0.980 25 R CB -1.668 28.559 30.300 -0.121 0.000 0.875 25 R HN 0.516 nan 8.270 nan 0.000 0.445 26 A N 1.600 124.327 122.820 -0.155 0.000 1.877 26 A HA -0.096 4.198 4.320 -0.043 0.000 0.216 26 A C 2.397 179.893 177.584 -0.148 0.000 1.186 26 A CA 1.160 53.113 52.037 -0.140 0.000 0.620 26 A CB -0.632 18.278 19.000 -0.150 0.000 0.822 26 A HN 0.177 nan 8.150 nan 0.000 0.443 27 L N -1.239 119.857 121.223 -0.211 0.000 2.017 27 L HA -0.178 4.136 4.340 -0.043 0.000 0.208 27 L C 2.865 179.660 176.870 -0.126 0.000 1.073 27 L CA 1.198 55.915 54.840 -0.205 0.000 0.745 27 L CB -0.498 41.379 42.059 -0.303 0.000 0.894 27 L HN 0.263 nan 8.230 nan 0.000 0.432 28 R N 0.330 120.761 120.500 -0.114 0.000 2.103 28 R HA -0.141 4.173 4.340 -0.043 0.000 0.242 28 R C 2.155 178.419 176.300 -0.060 0.000 1.142 28 R CA 1.499 57.553 56.100 -0.077 0.000 0.960 28 R CB -0.760 29.496 30.300 -0.073 0.000 0.858 28 R HN 0.390 nan 8.270 nan 0.000 0.439 29 L N 0.474 121.658 121.223 -0.066 0.000 2.465 29 L HA -0.063 4.251 4.340 -0.043 0.000 0.224 29 L C 1.633 178.478 176.870 -0.041 0.000 1.145 29 L CA 1.257 56.067 54.840 -0.051 0.000 0.834 29 L CB -0.213 41.815 42.059 -0.053 0.000 0.944 29 L HN 0.248 nan 8.230 nan 0.000 0.451 30 T N -4.364 110.162 114.554 -0.046 0.000 3.186 30 T HA 0.332 4.656 4.350 -0.043 0.000 0.257 30 T C 1.283 175.970 174.700 -0.022 0.000 1.029 30 T CA 0.334 62.416 62.100 -0.030 0.000 0.916 30 T CB 0.653 69.505 68.868 -0.027 0.000 1.041 30 T HN 0.393 nan 8.240 nan 0.000 0.562 31 G N 1.826 110.611 108.800 -0.025 0.000 2.176 31 G HA2 -0.216 3.718 3.960 -0.043 0.000 0.232 31 G HA3 -0.216 3.718 3.960 -0.043 0.000 0.232 31 G C 0.174 175.066 174.900 -0.013 0.000 0.986 31 G CA -0.501 44.590 45.100 -0.015 0.000 0.643 31 G HN 0.637 nan 8.290 nan 0.000 0.522 32 R N 0.530 121.016 120.500 -0.024 0.000 2.390 32 R HA 0.475 4.789 4.340 -0.043 0.000 0.291 32 R C 0.220 176.509 176.300 -0.019 0.000 1.070 32 R CA -0.446 55.643 56.100 -0.018 0.000 1.014 32 R CB 0.694 30.976 30.300 -0.031 0.000 1.007 32 R HN 0.308 nan 8.270 nan 0.000 0.466 33 R N 1.157 121.657 120.500 -0.000 0.000 2.265 33 R HA 0.243 4.557 4.340 -0.043 0.000 0.314 33 R C -0.319 175.988 176.300 0.012 0.000 1.053 33 R CA -0.473 55.632 56.100 0.009 0.000 0.931 33 R CB 1.031 31.348 30.300 0.028 0.000 1.024 33 R HN 0.251 nan 8.270 nan 0.000 0.457 34 V N 5.062 124.979 119.914 0.004 0.000 2.432 34 V HA 0.278 4.372 4.120 -0.043 0.000 0.275 34 V C 0.116 176.244 176.094 0.057 0.000 1.043 34 V CA -0.348 61.955 62.300 0.005 0.000 0.925 34 V CB 1.289 33.093 31.823 -0.033 0.000 0.985 34 V HN 0.647 nan 8.190 nan 0.000 0.466 35 M N 5.973 125.624 119.600 0.085 0.000 2.294 35 M HA 0.524 4.978 4.480 -0.043 0.000 0.335 35 M C -0.912 175.471 176.300 0.138 0.000 1.079 35 M CA -0.791 54.620 55.300 0.185 0.000 0.982 35 M CB 1.478 34.175 32.600 0.161 0.000 1.651 35 M HN 0.488 nan 8.290 nan 0.000 0.437 36 L N 4.182 125.514 121.223 0.183 0.000 2.322 36 L HA 0.679 4.993 4.340 -0.043 0.000 0.281 36 L C -1.170 175.774 176.870 0.123 0.000 1.014 36 L CA -0.450 54.457 54.840 0.112 0.000 0.815 36 L CB 1.688 43.787 42.059 0.066 0.000 1.247 36 L HN 0.470 nan 8.230 nan 0.000 0.421 37 V N 6.765 126.714 119.914 0.059 0.000 2.284 37 V HA 0.454 4.548 4.120 -0.043 0.000 0.274 37 V C -2.287 173.817 176.094 0.016 0.000 1.023 37 V CA -1.313 60.993 62.300 0.011 0.000 0.808 37 V CB 1.139 32.964 31.823 0.004 0.000 1.035 37 V HN 0.716 nan 8.190 nan 0.000 0.445 38 P HA 0.491 nan 4.420 nan 0.000 0.285 38 P C -0.247 177.146 177.300 0.155 0.000 1.259 38 P CA 0.006 63.164 63.100 0.097 0.000 0.794 38 P CB 1.245 33.040 31.700 0.158 0.000 0.940 39 T N -0.827 113.821 114.554 0.157 0.000 2.841 39 T HA 0.528 4.852 4.350 -0.043 0.000 0.296 39 T C 0.094 174.876 174.700 0.137 0.000 1.166 39 T CA -0.797 61.392 62.100 0.149 0.000 1.007 39 T CB 1.014 69.860 68.868 -0.037 0.000 1.253 39 T HN 0.150 nan 8.240 nan 0.000 0.511 40 M N 1.674 121.362 119.600 0.147 0.000 2.673 40 M HA 0.368 4.822 4.480 -0.043 0.000 0.334 40 M C 1.141 177.538 176.300 0.161 0.000 1.211 40 M CA 0.083 55.453 55.300 0.117 0.000 0.962 40 M CB -0.164 32.446 32.600 0.016 0.000 1.343 40 M HN 1.265 nan 8.290 nan 0.000 0.511 41 G N 1.362 110.177 108.800 0.025 0.000 2.645 41 G HA2 -0.101 3.833 3.960 -0.043 0.000 0.239 41 G HA3 -0.101 3.833 3.960 -0.043 0.000 0.239 41 G C 0.184 175.074 174.900 -0.017 0.000 1.331 41 G CA -0.112 44.977 45.100 -0.020 0.000 0.890 41 G HN 1.131 nan 8.290 nan 0.000 0.572 42 A N -1.961 120.863 122.820 0.008 0.000 2.519 42 A HA -0.033 4.261 4.320 -0.043 0.000 0.297 42 A C 0.720 178.296 177.584 -0.013 0.000 1.472 42 A CA 1.682 53.732 52.037 0.022 0.000 0.739 42 A CB -1.928 17.106 19.000 0.056 0.000 1.096 42 A HN 1.821 nan 8.150 nan 0.000 0.414 43 L N 1.405 122.551 121.223 -0.128 0.000 2.416 43 L HA 0.545 4.859 4.340 -0.043 0.000 0.272 43 L C 0.943 177.855 176.870 0.070 0.000 1.161 43 L CA 0.021 54.735 54.840 -0.210 0.000 0.845 43 L CB 0.395 42.328 42.059 -0.210 0.000 1.119 43 L HN 0.855 nan 8.230 nan 0.000 0.464 44 H N -0.709 118.601 119.070 0.401 0.000 2.927 44 H HA 0.340 4.870 4.556 -0.045 0.000 0.316 44 H C 0.214 175.637 175.328 0.158 0.000 1.403 44 H CA -0.925 55.242 56.048 0.197 0.000 1.288 44 H CB 0.554 30.396 29.762 0.133 0.000 1.944 44 H HN 0.315 nan 8.280 nan 0.000 0.629 45 E N 0.184 120.580 120.200 0.327 0.000 2.265 45 E HA -0.080 4.244 4.350 -0.043 0.000 0.196 45 E C 2.003 178.726 176.600 0.205 0.000 0.996 45 E CA 1.138 57.654 56.400 0.192 0.000 0.832 45 E CB -0.490 29.282 29.700 0.120 0.000 0.756 45 E HN 0.870 nan 8.360 nan 0.000 0.491 46 G N -0.093 108.949 108.800 0.404 0.000 2.404 46 G HA2 -0.248 3.686 3.960 -0.043 0.000 0.215 46 G HA3 -0.248 3.686 3.960 -0.043 0.000 0.215 46 G C 1.208 176.120 174.900 0.019 0.000 1.174 46 G CA 0.913 46.138 45.100 0.208 0.000 0.780 46 G HN 0.364 nan 8.290 nan 0.000 0.537 47 H N 0.368 119.407 119.070 -0.053 0.000 2.352 47 H HA 0.020 4.550 4.556 -0.044 0.000 0.299 47 H C 2.548 177.854 175.328 -0.036 0.000 1.097 47 H CA 1.290 57.281 56.048 -0.094 0.000 1.311 47 H CB -0.161 29.479 29.762 -0.203 0.000 1.377 47 H HN 0.257 nan 8.280 nan 0.000 0.504 48 L N -0.079 121.207 121.223 0.105 0.000 2.201 48 L HA -0.081 4.233 4.340 -0.043 0.000 0.212 48 L C 2.714 179.601 176.870 0.028 0.000 1.105 48 L CA 0.597 55.469 54.840 0.054 0.000 0.775 48 L CB -0.497 41.593 42.059 0.051 0.000 0.913 48 L HN 0.351 nan 8.230 nan 0.000 0.440 49 A N 0.656 123.502 122.820 0.043 0.000 1.933 49 A HA -0.139 4.155 4.320 -0.043 0.000 0.218 49 A C 2.269 179.855 177.584 0.003 0.000 1.175 49 A CA 1.318 53.373 52.037 0.029 0.000 0.628 49 A CB -0.555 18.477 19.000 0.052 0.000 0.814 49 A HN 0.370 nan 8.150 nan 0.000 0.444 50 L N -0.788 120.443 121.223 0.012 0.000 2.056 50 L HA -0.136 4.178 4.340 -0.043 0.000 0.207 50 L C 2.498 179.252 176.870 -0.194 0.000 1.078 50 L CA 1.019 55.843 54.840 -0.027 0.000 0.749 50 L CB -0.816 41.268 42.059 0.042 0.000 0.901 50 L HN 0.222 nan 8.230 nan 0.000 0.433 51 V N 0.138 119.982 119.914 -0.116 0.000 2.343 51 V HA -0.272 3.822 4.120 -0.043 0.000 0.247 51 V C 2.692 178.676 176.094 -0.183 0.000 1.051 51 V CA 1.735 63.944 62.300 -0.153 0.000 1.036 51 V CB -0.576 31.211 31.823 -0.060 0.000 0.654 51 V HN 0.405 nan 8.190 nan 0.000 0.451 52 R N 0.058 120.488 120.500 -0.115 0.000 2.091 52 R HA -0.171 4.143 4.340 -0.043 0.000 0.238 52 R C 2.418 178.638 176.300 -0.132 0.000 1.136 52 R CA 1.591 57.636 56.100 -0.093 0.000 0.959 52 R CB -0.646 29.630 30.300 -0.040 0.000 0.856 52 R HN 0.550 nan 8.270 nan 0.000 0.437 53 A N 1.140 123.854 122.820 -0.176 0.000 1.902 53 A HA -0.121 4.173 4.320 -0.043 0.000 0.217 53 A C 2.378 179.716 177.584 -0.411 0.000 1.181 53 A CA 1.702 53.633 52.037 -0.177 0.000 0.623 53 A CB -0.724 18.233 19.000 -0.072 0.000 0.818 53 A HN 0.410 nan 8.150 nan 0.000 0.443 54 A N -0.214 122.075 122.820 -0.885 0.000 1.902 54 A HA -0.156 4.138 4.320 -0.043 0.000 0.217 54 A C 2.097 179.497 177.584 -0.306 0.000 1.181 54 A CA 1.741 53.225 52.037 -0.921 0.000 0.623 54 A CB -0.409 18.035 19.000 -0.925 0.000 0.818 54 A HN 0.530 nan 8.150 nan 0.000 0.443 55 K N -0.499 119.774 120.400 -0.212 0.000 2.211 55 K HA -0.131 4.162 4.320 -0.043 0.000 0.203 55 K C 2.145 178.714 176.600 -0.051 0.000 1.050 55 K CA 1.241 57.472 56.287 -0.093 0.000 0.945 55 K CB -0.152 32.308 32.500 -0.067 0.000 0.732 55 K HN 0.680 nan 8.250 nan 0.000 0.451 56 R N 1.054 121.521 120.500 -0.055 0.000 2.235 56 R HA -0.009 4.305 4.340 -0.043 0.000 0.213 56 R C 0.127 176.438 176.300 0.018 0.000 1.059 56 R CA 0.351 56.445 56.100 -0.010 0.000 0.997 56 R CB -0.150 30.149 30.300 -0.002 0.000 0.884 56 R HN -0.175 nan 8.270 nan 0.000 0.462 57 V N 4.114 124.046 119.914 0.029 0.000 2.446 57 V HA 0.133 4.227 4.120 -0.043 0.000 0.276 57 V C -2.029 174.090 176.094 0.042 0.000 1.030 57 V CA -1.516 60.822 62.300 0.063 0.000 1.033 57 V CB 0.859 32.753 31.823 0.118 0.000 0.993 57 V HN 0.221 nan 8.190 nan 0.000 0.477 58 P HA 0.100 nan 4.420 nan 0.000 0.260 58 P C 0.987 178.305 177.300 0.029 0.000 1.172 58 P CA 1.546 64.664 63.100 0.029 0.000 0.760 58 P CB 0.352 32.068 31.700 0.027 0.000 0.773 59 G N 2.103 110.919 108.800 0.026 0.000 2.162 59 G HA2 -0.261 3.673 3.960 -0.043 0.000 0.260 59 G HA3 -0.261 3.673 3.960 -0.043 0.000 0.260 59 G C 0.361 175.278 174.900 0.027 0.000 0.976 59 G CA 0.257 45.372 45.100 0.025 0.000 0.655 59 G HN 0.772 nan 8.290 nan 0.000 0.533 60 S N -1.162 114.556 115.700 0.030 0.000 2.573 60 S HA 0.546 4.990 4.470 -0.043 0.000 0.277 60 S C 0.325 174.945 174.600 0.033 0.000 1.346 60 S CA 0.077 58.295 58.200 0.031 0.000 1.034 60 S CB 2.447 65.663 63.200 0.026 0.000 0.879 60 S HN 1.610 nan 8.310 nan 0.000 0.528 61 V N 2.945 122.876 119.914 0.029 0.000 2.555 61 V HA 0.606 4.700 4.120 -0.043 0.000 0.302 61 V C -0.768 175.349 176.094 0.038 0.000 1.038 61 V CA -0.744 61.583 62.300 0.046 0.000 0.887 61 V CB 1.793 33.626 31.823 0.017 0.000 0.991 61 V HN 0.892 nan 8.190 nan 0.000 0.434 62 V N 7.148 127.091 119.914 0.049 0.000 2.394 62 V HA 0.482 4.576 4.120 -0.043 0.000 0.282 62 V C -0.179 175.950 176.094 0.059 0.000 1.031 62 V CA -0.441 61.873 62.300 0.024 0.000 0.881 62 V CB 1.707 33.518 31.823 -0.020 0.000 0.982 62 V HN 0.665 nan 8.190 nan 0.000 0.451 63 V N 5.938 125.886 119.914 0.058 0.000 2.417 63 V HA 0.456 4.550 4.120 -0.043 0.000 0.291 63 V C -0.176 175.973 176.094 0.091 0.000 1.024 63 V CA -0.542 61.812 62.300 0.089 0.000 0.861 63 V CB 1.927 33.790 31.823 0.066 0.000 0.985 63 V HN 0.595 nan 8.190 nan 0.000 0.436 64 V N 4.703 124.682 119.914 0.108 0.000 2.384 64 V HA 0.488 4.582 4.120 -0.043 0.000 0.287 64 V C 0.293 176.473 176.094 0.144 0.000 1.020 64 V CA -0.373 61.982 62.300 0.092 0.000 0.850 64 V CB 2.107 33.960 31.823 0.050 0.000 0.987 64 V HN 0.998 nan 8.190 nan 0.000 0.436 65 S N 5.960 121.753 115.700 0.154 0.000 2.541 65 S HA 0.801 5.245 4.470 -0.043 0.000 0.283 65 S C -0.710 173.946 174.600 0.094 0.000 1.196 65 S CA -0.639 57.663 58.200 0.170 0.000 1.062 65 S CB 1.437 64.781 63.200 0.241 0.000 1.009 65 S HN 0.505 nan 8.310 nan 0.000 0.502 66 I N 3.063 123.664 120.570 0.052 0.000 2.439 66 I HA 0.555 4.699 4.170 -0.043 0.000 0.283 66 I C -1.423 174.771 176.117 0.129 0.000 1.023 66 I CA -0.452 60.885 61.300 0.062 0.000 1.100 66 I CB 1.473 39.488 38.000 0.026 0.000 1.238 66 I HN 0.751 nan 8.210 nan 0.000 0.445 67 F N 6.829 126.753 119.950 -0.043 0.000 2.670 67 F HA 0.413 4.913 4.527 -0.045 0.000 0.332 67 F C -1.545 174.262 175.800 0.012 0.000 1.179 67 F CA -0.653 57.321 58.000 -0.044 0.000 1.076 67 F CB 1.270 40.216 39.000 -0.090 0.000 1.322 67 F HN -0.017 nan 8.300 nan 0.000 0.515 68 V N 5.386 124.994 119.914 -0.510 0.000 2.353 68 V HA 0.208 4.302 4.120 -0.043 0.000 0.264 68 V C -0.104 175.535 176.094 -0.759 0.000 1.049 68 V CA -0.560 61.468 62.300 -0.452 0.000 0.896 68 V CB 0.769 32.413 31.823 -0.298 0.000 1.025 68 V HN 0.656 nan 8.190 nan 0.000 0.475 69 N N 7.680 126.126 118.700 -0.424 0.000 2.401 69 N HA 0.267 4.981 4.740 -0.043 0.000 0.255 69 N C -1.685 173.826 175.510 0.002 0.000 1.110 69 N CA -1.911 50.946 53.050 -0.320 0.000 0.949 69 N CB 1.693 40.248 38.487 0.114 0.000 1.110 69 N HN 0.205 nan 8.380 nan 0.000 0.490 70 P HA -0.113 nan 4.420 nan 0.000 0.222 70 P C 1.320 178.652 177.300 0.054 0.000 1.147 70 P CA 0.969 64.054 63.100 -0.025 0.000 0.790 70 P CB 0.125 31.755 31.700 -0.116 0.000 0.780 71 M N -0.049 119.539 119.600 -0.020 0.000 2.476 71 M HA -0.133 4.321 4.480 -0.043 0.000 0.262 71 M C 1.564 177.861 176.300 -0.006 0.000 1.079 71 M CA 1.470 56.732 55.300 -0.063 0.000 1.104 71 M CB -0.206 32.322 32.600 -0.120 0.000 1.409 71 M HN -0.034 nan 8.290 nan 0.000 0.467 72 Q N -0.842 118.961 119.800 0.006 0.000 2.280 72 Q HA 0.133 4.447 4.340 -0.043 0.000 0.201 72 Q C -0.676 175.265 176.000 -0.098 0.000 0.890 72 Q CA -0.182 55.539 55.803 -0.137 0.000 0.947 72 Q CB 0.017 28.561 28.738 -0.324 0.000 1.081 72 Q HN 0.309 nan 8.270 nan 0.000 0.502 73 F N 0.401 120.344 119.950 -0.012 0.000 2.422 73 F HA 0.589 5.091 4.527 -0.042 0.000 0.333 73 F C 1.142 176.930 175.800 -0.020 0.000 1.095 73 F CA -0.336 57.656 58.000 -0.013 0.000 1.038 73 F CB 1.805 40.775 39.000 -0.050 0.000 1.156 73 F HN 0.036 nan 8.300 nan 0.000 0.483 74 G N 1.102 109.992 108.800 0.151 0.000 3.223 74 G HA2 0.524 4.458 3.960 -0.043 0.000 0.198 74 G HA3 0.524 4.458 3.960 -0.043 0.000 0.198 74 G C 0.323 175.270 174.900 0.077 0.000 1.980 74 G CA 0.112 45.260 45.100 0.080 0.000 0.828 74 G HN 1.101 nan 8.290 nan 0.000 0.680 75 A N -1.964 120.886 122.820 0.050 0.000 6.182 75 A HA 0.390 4.684 4.320 -0.043 0.000 0.285 75 A C 1.447 179.044 177.584 0.022 0.000 1.979 75 A CA 2.136 54.195 52.037 0.036 0.000 0.740 75 A CB -1.322 17.711 19.000 0.055 0.000 1.172 75 A HN 2.901 nan 8.150 nan 0.000 0.388 76 G N -3.713 105.092 108.800 0.008 0.000 2.352 76 G HA2 0.493 4.427 3.960 -0.043 0.000 0.324 76 G HA3 0.493 4.427 3.960 -0.043 0.000 0.324 76 G C 0.887 175.783 174.900 -0.008 0.000 1.249 76 G CA 0.832 45.934 45.100 0.003 0.000 1.053 76 G HN 2.536 nan 8.290 nan 0.000 0.492 77 G N -0.923 107.869 108.800 -0.013 0.000 3.502 77 G HA2 0.427 4.361 3.960 -0.043 0.000 0.267 77 G HA3 0.427 4.361 3.960 -0.043 0.000 0.267 77 G C 0.697 175.577 174.900 -0.033 0.000 1.090 77 G CA 1.342 46.422 45.100 -0.033 0.000 0.795 77 G HN 0.504 nan 8.290 nan 0.000 0.535 78 D N 0.610 121.021 120.400 0.019 0.000 2.117 78 D HA -0.117 4.497 4.640 -0.043 0.000 0.197 78 D C 2.365 178.634 176.300 -0.052 0.000 0.987 78 D CA 0.463 54.530 54.000 0.112 0.000 0.829 78 D CB 0.051 41.020 40.800 0.281 0.000 0.961 78 D HN 0.275 nan 8.370 nan 0.000 0.460 79 L N 0.982 122.011 121.223 -0.324 0.000 2.017 79 L HA -0.124 4.190 4.340 -0.043 0.000 0.208 79 L C 1.282 177.892 176.870 -0.434 0.000 1.073 79 L CA 1.897 56.221 54.840 -0.861 0.000 0.745 79 L CB -0.589 41.114 42.059 -0.594 0.000 0.894 79 L HN -0.123 nan 8.230 nan 0.000 0.432 80 D N -0.396 119.872 120.400 -0.220 0.000 2.224 80 D HA -0.027 4.587 4.640 -0.043 0.000 0.205 80 D C 2.065 178.321 176.300 -0.073 0.000 0.965 80 D CA 1.197 55.120 54.000 -0.129 0.000 0.852 80 D CB 0.105 40.853 40.800 -0.086 0.000 0.947 80 D HN 0.504 nan 8.370 nan 0.000 0.494 81 A N -0.207 122.578 122.820 -0.058 0.000 2.072 81 A HA -0.092 4.202 4.320 -0.043 0.000 0.216 81 A C 0.780 178.394 177.584 0.050 0.000 1.156 81 A CA -0.065 51.955 52.037 -0.029 0.000 0.701 81 A CB -0.498 18.454 19.000 -0.080 0.000 0.816 81 A HN 0.175 nan 8.150 nan 0.000 0.458 82 Y N 2.095 122.368 120.300 -0.044 0.000 2.712 82 Y HA 0.217 4.741 4.550 -0.044 0.000 0.333 82 Y C -2.015 173.941 175.900 0.093 0.000 1.225 82 Y CA -2.171 55.973 58.100 0.073 0.000 1.499 82 Y CB 0.387 38.856 38.460 0.015 0.000 1.288 82 Y HN 0.157 nan 8.280 nan 0.000 0.575 83 P HA 0.115 nan 4.420 nan 0.000 0.267 83 P C -1.262 176.062 177.300 0.041 0.000 1.205 83 P CA 0.293 63.344 63.100 -0.082 0.000 0.765 83 P CB 0.478 32.077 31.700 -0.169 0.000 0.828 84 R N 1.617 122.150 120.500 0.055 0.000 2.409 84 R HA 0.505 4.819 4.340 -0.043 0.000 0.313 84 R C -0.103 176.215 176.300 0.031 0.000 0.953 84 R CA -0.441 55.698 56.100 0.066 0.000 0.849 84 R CB 1.294 31.630 30.300 0.060 0.000 1.171 84 R HN 0.436 nan 8.270 nan 0.000 0.458 85 T N -0.722 113.847 114.554 0.025 0.000 3.658 85 T HA 0.236 4.560 4.350 -0.043 0.000 0.245 85 T C -2.283 172.420 174.700 0.006 0.000 1.292 85 T CA -1.563 60.543 62.100 0.009 0.000 1.598 85 T CB 1.021 69.889 68.868 0.000 0.000 0.861 85 T HN 0.177 nan 8.240 nan 0.000 0.663 86 P HA -0.087 nan 4.420 nan 0.000 0.217 86 P C 1.174 178.474 177.300 -0.000 0.000 1.148 86 P CA 1.073 64.177 63.100 0.007 0.000 0.828 86 P CB 0.198 31.904 31.700 0.010 0.000 0.783 87 D N -0.808 119.592 120.400 -0.000 0.000 2.120 87 D HA -0.109 4.505 4.640 -0.043 0.000 0.202 87 D C 1.389 177.686 176.300 -0.005 0.000 0.972 87 D CA 1.018 55.016 54.000 -0.003 0.000 0.837 87 D CB -0.417 40.381 40.800 -0.002 0.000 0.989 87 D HN 0.157 nan 8.370 nan 0.000 0.469 88 D N 1.267 121.665 120.400 -0.004 0.000 2.144 88 D HA -0.125 4.489 4.640 -0.043 0.000 0.199 88 D C 1.539 177.833 176.300 -0.009 0.000 0.984 88 D CA 0.826 54.823 54.000 -0.004 0.000 0.834 88 D CB -0.207 40.592 40.800 -0.002 0.000 0.955 88 D HN 0.171 nan 8.370 nan 0.000 0.465 89 D N 0.676 121.068 120.400 -0.014 0.000 2.092 89 D HA -0.108 4.506 4.640 -0.043 0.000 0.193 89 D C 2.401 178.688 176.300 -0.021 0.000 0.994 89 D CA 0.483 54.466 54.000 -0.028 0.000 0.828 89 D CB -0.495 40.283 40.800 -0.037 0.000 0.963 89 D HN 0.229 nan 8.370 nan 0.000 0.450 90 L N 0.629 121.844 121.223 -0.013 0.000 2.131 90 L HA -0.138 4.176 4.340 -0.043 0.000 0.210 90 L C 2.518 179.382 176.870 -0.011 0.000 1.092 90 L CA 0.944 55.777 54.840 -0.011 0.000 0.759 90 L CB -0.461 41.592 42.059 -0.010 0.000 0.903 90 L HN -0.014 nan 8.230 nan 0.000 0.435 91 A N -0.243 122.572 122.820 -0.010 0.000 1.877 91 A HA -0.247 4.047 4.320 -0.043 0.000 0.216 91 A C 2.221 179.801 177.584 -0.006 0.000 1.186 91 A CA 1.486 53.519 52.037 -0.008 0.000 0.620 91 A CB -0.460 18.536 19.000 -0.006 0.000 0.822 91 A HN 0.463 nan 8.150 nan 0.000 0.443 92 Q N -0.459 119.338 119.800 -0.006 0.000 2.096 92 Q HA -0.137 4.177 4.340 -0.043 0.000 0.204 92 Q C 2.101 178.098 176.000 -0.004 0.000 0.982 92 Q CA 1.508 57.310 55.803 -0.003 0.000 0.850 92 Q CB -0.360 28.377 28.738 -0.002 0.000 0.901 92 Q HN 0.687 nan 8.270 nan 0.000 0.422 93 L N -0.075 121.144 121.223 -0.008 0.000 2.093 93 L HA -0.146 4.168 4.340 -0.043 0.000 0.208 93 L C 2.539 179.406 176.870 -0.004 0.000 1.085 93 L CA 0.964 55.801 54.840 -0.005 0.000 0.755 93 L CB -0.333 41.725 42.059 -0.002 0.000 0.904 93 L HN 0.168 nan 8.230 nan 0.000 0.435 94 R N 0.056 120.551 120.500 -0.007 0.000 2.081 94 R HA -0.126 4.188 4.340 -0.043 0.000 0.235 94 R C 2.389 178.684 176.300 -0.008 0.000 1.131 94 R CA 1.355 57.449 56.100 -0.010 0.000 0.960 94 R CB -0.410 29.882 30.300 -0.014 0.000 0.856 94 R HN 0.328 nan 8.270 nan 0.000 0.436 95 A N 1.004 123.820 122.820 -0.006 0.000 2.070 95 A HA -0.135 4.159 4.320 -0.043 0.000 0.220 95 A C 1.522 179.104 177.584 -0.003 0.000 1.159 95 A CA 1.257 53.291 52.037 -0.004 0.000 0.656 95 A CB -0.084 18.915 19.000 -0.001 0.000 0.800 95 A HN 0.181 nan 8.150 nan 0.000 0.453 96 E N -1.337 118.861 120.200 -0.004 0.000 2.479 96 E HA 0.176 4.500 4.350 -0.043 0.000 0.193 96 E C 1.235 177.832 176.600 -0.006 0.000 1.049 96 E CA 0.615 57.011 56.400 -0.005 0.000 0.870 96 E CB -0.113 29.583 29.700 -0.007 0.000 0.944 96 E HN 0.752 nan 8.360 nan 0.000 0.492 97 G N 1.463 110.261 108.800 -0.004 0.000 2.155 97 G HA2 -0.301 3.633 3.960 -0.043 0.000 0.257 97 G HA3 -0.301 3.633 3.960 -0.043 0.000 0.257 97 G C 0.552 175.456 174.900 0.007 0.000 0.983 97 G CA 0.437 45.536 45.100 -0.001 0.000 0.676 97 G HN 0.192 nan 8.290 nan 0.000 0.528 98 V N 0.226 120.145 119.914 0.008 0.000 2.694 98 V HA 0.130 4.224 4.120 -0.043 0.000 0.306 98 V C 1.464 177.584 176.094 0.043 0.000 1.054 98 V CA 1.423 63.738 62.300 0.025 0.000 1.161 98 V CB 1.201 33.036 31.823 0.020 0.000 0.916 98 V HN 0.558 nan 8.190 nan 0.000 0.490 99 E N 3.625 123.878 120.200 0.089 0.000 2.364 99 E HA 0.299 4.623 4.350 -0.043 0.000 0.196 99 E C -0.137 176.584 176.600 0.202 0.000 0.990 99 E CA 0.324 56.800 56.400 0.127 0.000 0.886 99 E CB 0.593 30.430 29.700 0.227 0.000 0.866 99 E HN 0.608 nan 8.360 nan 0.000 0.493 100 I N 1.002 121.695 120.570 0.205 0.000 2.499 100 I HA 0.399 4.543 4.170 -0.043 0.000 0.288 100 I C -0.949 175.271 176.117 0.173 0.000 1.048 100 I CA -0.900 60.544 61.300 0.241 0.000 1.062 100 I CB 2.011 40.194 38.000 0.305 0.000 1.238 100 I HN -0.116 nan 8.210 nan 0.000 0.426 101 A N 6.074 128.984 122.820 0.150 0.000 2.330 101 A HA 0.738 5.032 4.320 -0.043 0.000 0.327 101 A C -1.316 176.435 177.584 0.278 0.000 1.155 101 A CA -0.345 51.785 52.037 0.154 0.000 0.803 101 A CB 1.027 20.069 19.000 0.071 0.000 1.208 101 A HN 0.534 nan 8.150 nan 0.000 0.477 102 F N 3.300 123.309 119.950 0.098 0.000 2.402 102 F HA 0.574 5.074 4.527 -0.045 0.000 0.355 102 F C 0.331 176.176 175.800 0.075 0.000 1.123 102 F CA -0.778 57.286 58.000 0.106 0.000 1.021 102 F CB 1.833 40.880 39.000 0.079 0.000 1.160 102 F HN 0.467 nan 8.300 nan 0.000 0.451 103 T N 5.460 119.922 114.554 -0.153 0.000 3.401 103 T HA 0.453 4.777 4.350 -0.043 0.000 0.341 103 T C -3.032 171.500 174.700 -0.279 0.000 1.674 103 T CA -1.844 60.141 62.100 -0.191 0.000 1.600 103 T CB 0.513 69.367 68.868 -0.023 0.000 0.974 103 T HN 0.342 nan 8.240 nan 0.000 0.672 104 P HA 0.262 nan 4.420 nan 0.000 0.274 104 P C 0.460 177.677 177.300 -0.139 0.000 1.237 104 P CA -0.052 62.770 63.100 -0.462 0.000 0.793 104 P CB 0.846 32.031 31.700 -0.859 0.000 0.977 105 T N -2.275 112.251 114.554 -0.048 0.000 2.874 105 T HA 0.165 4.489 4.350 -0.043 0.000 0.281 105 T C 1.387 176.190 174.700 0.171 0.000 0.994 105 T CA -0.196 61.959 62.100 0.092 0.000 1.015 105 T CB -0.313 68.596 68.868 0.067 0.000 1.028 105 T HN 0.280 nan 8.240 nan 0.000 0.523 106 T N 1.338 116.085 114.554 0.321 0.000 2.746 106 T HA -0.044 4.280 4.350 -0.043 0.000 0.267 106 T C 2.370 177.228 174.700 0.263 0.000 1.039 106 T CA 1.401 63.753 62.100 0.419 0.000 1.142 106 T CB -0.812 68.238 68.868 0.304 0.000 0.866 106 T HN 0.805 nan 8.240 nan 0.000 0.444 107 A N 1.261 124.174 122.820 0.155 0.000 1.972 107 A HA 0.159 4.453 4.320 -0.043 0.000 0.219 107 A C 2.575 180.194 177.584 0.058 0.000 1.169 107 A CA 1.753 53.855 52.037 0.108 0.000 0.635 107 A CB -0.896 18.149 19.000 0.075 0.000 0.810 107 A HN 0.511 nan 8.150 nan 0.000 0.446 108 A N -1.321 121.509 122.820 0.016 0.000 1.968 108 A HA 0.024 4.318 4.320 -0.043 0.000 0.217 108 A C 2.105 179.625 177.584 -0.107 0.000 1.169 108 A CA 1.622 53.641 52.037 -0.029 0.000 0.638 108 A CB -0.333 18.649 19.000 -0.031 0.000 0.812 108 A HN 0.418 nan 8.150 nan 0.000 0.446 109 M N -2.113 117.366 119.600 -0.202 0.000 2.334 109 M HA 0.107 4.561 4.480 -0.043 0.000 0.266 109 M C -0.055 175.916 176.300 -0.548 0.000 1.082 109 M CA 1.129 56.139 55.300 -0.483 0.000 1.141 109 M CB -0.618 31.493 32.600 -0.816 0.000 1.380 109 M HN 0.446 nan 8.290 nan 0.000 0.440 110 Y N 0.052 120.378 120.300 0.043 0.000 2.473 110 Y HA 0.285 4.809 4.550 -0.044 0.000 0.345 110 Y C -1.515 174.412 175.900 0.045 0.000 0.932 110 Y CA -2.106 56.029 58.100 0.060 0.000 1.124 110 Y CB -0.233 38.285 38.460 0.097 0.000 1.162 110 Y HN 0.127 nan 8.280 nan 0.000 0.629 111 P HA -0.076 nan 4.420 nan 0.000 0.226 111 P C 0.148 177.500 177.300 0.086 0.000 1.153 111 P CA 1.379 64.529 63.100 0.084 0.000 0.777 111 P CB 0.596 32.322 31.700 0.042 0.000 0.794 112 D N -0.494 119.967 120.400 0.102 0.000 2.424 112 D HA 0.220 4.834 4.640 -0.043 0.000 0.220 112 D C 1.340 177.697 176.300 0.095 0.000 1.150 112 D CA 0.389 54.439 54.000 0.083 0.000 0.831 112 D CB 0.784 41.622 40.800 0.063 0.000 0.981 112 D HN 0.107 nan 8.370 nan 0.000 0.500 113 G N 1.515 110.394 108.800 0.131 0.000 2.569 113 G HA2 -0.298 3.636 3.960 -0.043 0.000 0.259 113 G HA3 -0.298 3.636 3.960 -0.043 0.000 0.259 113 G C -0.195 174.776 174.900 0.117 0.000 1.263 113 G CA -0.669 44.492 45.100 0.102 0.000 0.928 113 G HN 0.283 nan 8.290 nan 0.000 0.572 114 L N 1.516 122.758 121.223 0.032 0.000 2.369 114 L HA 0.461 4.775 4.340 -0.043 0.000 0.279 114 L C 1.377 178.282 176.870 0.059 0.000 1.108 114 L CA 0.246 55.109 54.840 0.038 0.000 0.852 114 L CB 1.092 43.138 42.059 -0.021 0.000 1.169 114 L HN 0.842 nan 8.230 nan 0.000 0.452 115 R N 1.433 121.984 120.500 0.086 0.000 2.588 115 R HA 0.257 4.571 4.340 -0.043 0.000 0.115 115 R C -0.119 176.217 176.300 0.061 0.000 1.578 115 R CA -0.275 55.862 56.100 0.063 0.000 1.329 115 R CB 0.524 30.860 30.300 0.059 0.000 1.152 115 R HN 0.487 nan 8.270 nan 0.000 0.437 116 T N 1.836 116.426 114.554 0.061 0.000 2.884 116 T HA 0.318 4.642 4.350 -0.043 0.000 0.298 116 T C -0.173 174.573 174.700 0.077 0.000 0.998 116 T CA -0.059 62.072 62.100 0.051 0.000 1.124 116 T CB 1.303 70.190 68.868 0.032 0.000 0.931 116 T HN 0.581 nan 8.240 nan 0.000 0.531 117 T N -1.350 113.250 114.554 0.077 0.000 2.865 117 T HA 0.627 4.951 4.350 -0.043 0.000 0.294 117 T C -0.575 174.196 174.700 0.118 0.000 1.119 117 T CA -0.879 61.282 62.100 0.102 0.000 1.007 117 T CB 0.922 69.844 68.868 0.090 0.000 1.225 117 T HN 0.274 nan 8.240 nan 0.000 0.515 118 V N 2.016 122.017 119.914 0.145 0.000 2.465 118 V HA 0.505 4.599 4.120 -0.043 0.000 0.279 118 V C 0.015 176.183 176.094 0.122 0.000 1.045 118 V CA -0.418 61.996 62.300 0.191 0.000 0.938 118 V CB 1.038 32.989 31.823 0.213 0.000 0.986 118 V HN 0.978 nan 8.190 nan 0.000 0.467 119 Q N 7.393 127.265 119.800 0.120 0.000 2.368 119 Q HA 0.474 4.788 4.340 -0.043 0.000 0.256 119 Q C -2.528 173.488 176.000 0.028 0.000 0.980 119 Q CA -1.469 54.375 55.803 0.069 0.000 0.887 119 Q CB 1.404 30.183 28.738 0.067 0.000 1.221 119 Q HN 0.534 nan 8.270 nan 0.000 0.458 120 P HA 0.208 nan 4.420 nan 0.000 0.271 120 P C 0.087 177.355 177.300 -0.053 0.000 1.233 120 P CA -0.248 62.819 63.100 -0.055 0.000 0.789 120 P CB 0.529 32.202 31.700 -0.045 0.000 0.951 121 G N 0.876 109.620 108.800 -0.093 0.000 2.631 121 G HA2 0.142 4.076 3.960 -0.043 0.000 0.271 121 G HA3 0.142 4.076 3.960 -0.043 0.000 0.271 121 G C -1.558 173.305 174.900 -0.062 0.000 1.302 121 G CA -0.711 44.344 45.100 -0.074 0.000 1.002 121 G HN 0.329 nan 8.290 nan 0.000 0.519 122 P HA -0.073 nan 4.420 nan 0.000 0.222 122 P C 1.971 179.238 177.300 -0.055 0.000 1.147 122 P CA 0.057 63.132 63.100 -0.041 0.000 0.790 122 P CB 0.082 31.760 31.700 -0.036 0.000 0.780 123 L N 0.081 121.248 121.223 -0.093 0.000 2.187 123 L HA -0.121 4.193 4.340 -0.043 0.000 0.213 123 L C 2.045 178.830 176.870 -0.141 0.000 1.100 123 L CA 1.819 56.580 54.840 -0.131 0.000 0.765 123 L CB -1.418 40.530 42.059 -0.186 0.000 0.904 123 L HN -0.080 nan 8.230 nan 0.000 0.437 124 A N -1.141 121.619 122.820 -0.100 0.000 2.168 124 A HA 0.219 4.513 4.320 -0.043 0.000 0.215 124 A C 2.174 179.855 177.584 0.163 0.000 1.152 124 A CA 1.027 53.081 52.037 0.029 0.000 0.716 124 A CB -0.708 18.351 19.000 0.097 0.000 0.794 124 A HN 0.505 nan 8.150 nan 0.000 0.465 125 A N -0.682 122.176 122.820 0.063 0.000 2.308 125 A HA 0.280 4.574 4.320 -0.043 0.000 0.217 125 A C 0.567 178.174 177.584 0.038 0.000 1.216 125 A CA -0.124 51.951 52.037 0.063 0.000 0.864 125 A CB 0.097 19.115 19.000 0.030 0.000 0.902 125 A HN 0.385 nan 8.150 nan 0.000 0.499 126 E N -0.584 119.624 120.200 0.014 0.000 2.232 126 E HA 0.569 4.893 4.350 -0.043 0.000 0.265 126 E C 0.614 177.190 176.600 -0.041 0.000 1.001 126 E CA -0.607 55.769 56.400 -0.040 0.000 0.870 126 E CB 1.043 30.696 29.700 -0.077 0.000 1.175 126 E HN 0.224 nan 8.360 nan 0.000 0.407 127 L N -0.158 120.959 121.223 -0.176 0.000 5.531 127 L HA -0.394 3.920 4.340 -0.043 0.000 0.053 127 L C 1.634 178.494 176.870 -0.018 0.000 2.831 127 L CA 1.491 56.113 54.840 -0.363 0.000 1.552 127 L CB -1.160 40.708 42.059 -0.319 0.000 2.889 127 L HN 0.522 nan 8.230 nan 0.000 0.964 128 E N 0.503 120.830 120.200 0.211 0.000 2.204 128 E HA -0.100 4.224 4.350 -0.043 0.000 0.195 128 E C 1.839 178.541 176.600 0.169 0.000 0.990 128 E CA 1.440 57.994 56.400 0.256 0.000 0.821 128 E CB -0.303 29.587 29.700 0.316 0.000 0.750 128 E HN 0.735 nan 8.360 nan 0.000 0.477 129 G N 0.366 109.347 108.800 0.302 0.000 2.683 129 G HA2 -0.047 3.887 3.960 -0.043 0.000 0.213 129 G HA3 -0.047 3.887 3.960 -0.043 0.000 0.213 129 G C 1.595 176.564 174.900 0.115 0.000 1.142 129 G CA 0.530 45.775 45.100 0.242 0.000 0.793 129 G HN 0.363 nan 8.290 nan 0.000 0.534 130 G N 2.055 110.902 108.800 0.080 0.000 2.529 130 G HA2 -0.191 3.743 3.960 -0.043 0.000 0.219 130 G HA3 -0.191 3.743 3.960 -0.043 0.000 0.219 130 G C 0.294 175.217 174.900 0.038 0.000 1.177 130 G CA 1.356 46.481 45.100 0.042 0.000 0.773 130 G HN 0.499 nan 8.290 nan 0.000 0.573 131 P HA 0.193 nan 4.420 nan 0.000 0.255 131 P C 0.243 177.547 177.300 0.006 0.000 1.248 131 P CA 0.264 63.377 63.100 0.021 0.000 0.807 131 P CB 0.503 32.216 31.700 0.022 0.000 1.150 132 R N 0.725 121.228 120.500 0.005 0.000 2.653 132 R HA 0.223 4.537 4.340 -0.043 0.000 0.269 132 R C -1.904 174.410 176.300 0.023 0.000 1.603 132 R CA -1.184 54.907 56.100 -0.015 0.000 1.671 132 R CB 0.905 31.146 30.300 -0.098 0.000 1.300 132 R HN 0.016 nan 8.270 nan 0.000 0.668 133 P HA -0.146 nan 4.420 nan 0.000 0.225 133 P C 0.845 178.179 177.300 0.056 0.000 1.148 133 P CA 1.339 64.471 63.100 0.052 0.000 0.779 133 P CB 0.369 32.091 31.700 0.037 0.000 0.780 134 T N -6.116 108.460 114.554 0.036 0.000 3.044 134 T HA 0.079 4.403 4.350 -0.043 0.000 0.260 134 T C 1.603 176.294 174.700 -0.014 0.000 1.019 134 T CA -0.050 62.064 62.100 0.023 0.000 0.921 134 T CB -0.912 67.964 68.868 0.013 0.000 1.053 134 T HN 0.023 nan 8.240 nan 0.000 0.533 135 H N 1.236 120.221 119.070 -0.141 0.000 2.290 135 H HA 0.015 4.545 4.556 -0.044 0.000 0.298 135 H C 1.191 176.345 175.328 -0.290 0.000 1.087 135 H CA 1.777 57.644 56.048 -0.301 0.000 1.291 135 H CB -0.559 28.887 29.762 -0.526 0.000 1.369 135 H HN 0.410 nan 8.280 nan 0.000 0.492 136 F N 0.080 119.909 119.950 -0.202 0.000 2.367 136 F HA 0.186 4.688 4.527 -0.041 0.000 0.298 136 F C 2.688 178.387 175.800 -0.168 0.000 1.094 136 F CA 0.741 58.585 58.000 -0.259 0.000 1.409 136 F CB -0.786 38.150 39.000 -0.105 0.000 1.064 136 F HN 0.349 nan 8.300 nan 0.000 0.528 137 A N 0.463 123.318 122.820 0.059 0.000 1.917 137 A HA -0.135 4.159 4.320 -0.043 0.000 0.219 137 A C 2.603 180.198 177.584 0.017 0.000 1.182 137 A CA 1.971 54.033 52.037 0.042 0.000 0.633 137 A CB -1.537 17.488 19.000 0.042 0.000 0.819 137 A HN 0.397 nan 8.150 nan 0.000 0.448 138 G N -0.710 108.060 108.800 -0.050 0.000 2.402 138 G HA2 -0.081 3.853 3.960 -0.043 0.000 0.216 138 G HA3 -0.081 3.853 3.960 -0.043 0.000 0.216 138 G C 1.514 176.403 174.900 -0.019 0.000 1.162 138 G CA 1.194 46.273 45.100 -0.035 0.000 0.777 138 G HN 0.326 nan 8.290 nan 0.000 0.539 139 V N 1.090 120.921 119.914 -0.137 0.000 2.295 139 V HA -0.130 3.964 4.120 -0.043 0.000 0.246 139 V C 2.886 179.002 176.094 0.036 0.000 1.049 139 V CA 1.456 63.720 62.300 -0.061 0.000 1.024 139 V CB -0.461 31.305 31.823 -0.094 0.000 0.648 139 V HN 0.325 nan 8.190 nan 0.000 0.447 140 L N -0.494 120.750 121.223 0.035 0.000 2.141 140 L HA -0.128 4.186 4.340 -0.043 0.000 0.209 140 L C 2.571 179.499 176.870 0.097 0.000 1.094 140 L CA 1.610 56.474 54.840 0.041 0.000 0.763 140 L CB -0.952 41.110 42.059 0.006 0.000 0.908 140 L HN 0.385 nan 8.230 nan 0.000 0.437 141 T N -0.594 114.030 114.554 0.118 0.000 2.737 141 T HA -0.165 4.159 4.350 -0.043 0.000 0.265 141 T C 1.942 176.744 174.700 0.169 0.000 1.038 141 T CA 1.206 63.401 62.100 0.158 0.000 1.144 141 T CB -0.159 68.818 68.868 0.181 0.000 0.866 141 T HN 0.085 nan 8.240 nan 0.000 0.434 142 V N 1.220 121.253 119.914 0.198 0.000 2.407 142 V HA -0.124 3.970 4.120 -0.043 0.000 0.248 142 V C 2.475 178.669 176.094 0.167 0.000 1.055 142 V CA 1.410 63.834 62.300 0.208 0.000 1.049 142 V CB -0.351 31.662 31.823 0.317 0.000 0.662 142 V HN 0.319 nan 8.190 nan 0.000 0.455 143 V N -0.284 119.729 119.914 0.165 0.000 2.427 143 V HA -0.188 3.906 4.120 -0.043 0.000 0.248 143 V C 2.367 178.552 176.094 0.152 0.000 1.051 143 V CA 1.997 64.407 62.300 0.183 0.000 1.048 143 V CB -0.489 31.431 31.823 0.162 0.000 0.666 143 V HN 0.580 nan 8.190 nan 0.000 0.456 144 L N 0.221 121.524 121.223 0.135 0.000 2.046 144 L HA -0.168 4.146 4.340 -0.043 0.000 0.208 144 L C 2.361 179.286 176.870 0.092 0.000 1.077 144 L CA 2.011 56.931 54.840 0.132 0.000 0.747 144 L CB -0.667 41.495 42.059 0.171 0.000 0.896 144 L HN 0.201 nan 8.230 nan 0.000 0.432 145 K N -0.777 119.667 120.400 0.075 0.000 2.026 145 K HA -0.123 4.171 4.320 -0.043 0.000 0.208 145 K C 2.087 178.710 176.600 0.038 0.000 1.048 145 K CA 1.677 57.979 56.287 0.025 0.000 0.929 145 K CB -0.313 32.169 32.500 -0.030 0.000 0.713 145 K HN 0.327 nan 8.250 nan 0.000 0.439 146 L N 0.833 122.106 121.223 0.083 0.000 2.083 146 L HA -0.189 4.125 4.340 -0.043 0.000 0.209 146 L C 2.271 179.187 176.870 0.077 0.000 1.083 146 L CA 1.025 55.938 54.840 0.122 0.000 0.752 146 L CB -0.377 41.786 42.059 0.174 0.000 0.899 146 L HN 0.199 nan 8.230 nan 0.000 0.433 147 L N -0.907 120.366 121.223 0.082 0.000 2.093 147 L HA -0.188 4.126 4.340 -0.043 0.000 0.208 147 L C 2.767 179.647 176.870 0.016 0.000 1.085 147 L CA 0.893 55.768 54.840 0.058 0.000 0.755 147 L CB -0.428 41.680 42.059 0.081 0.000 0.904 147 L HN 0.335 nan 8.230 nan 0.000 0.435 148 Q N -0.279 119.527 119.800 0.010 0.000 2.172 148 Q HA -0.066 4.248 4.340 -0.043 0.000 0.200 148 Q C 2.283 178.249 176.000 -0.057 0.000 0.964 148 Q CA 1.296 57.087 55.803 -0.021 0.000 0.855 148 Q CB 0.029 28.756 28.738 -0.018 0.000 0.918 148 Q HN 0.567 nan 8.270 nan 0.000 0.444 149 I N -0.288 120.241 120.570 -0.069 0.000 2.286 149 I HA -0.183 3.961 4.170 -0.043 0.000 0.245 149 I C 2.062 178.062 176.117 -0.195 0.000 1.104 149 I CA 0.735 61.951 61.300 -0.141 0.000 1.397 149 I CB 0.052 37.957 38.000 -0.158 0.000 1.072 149 I HN -0.068 nan 8.210 nan 0.000 0.417 150 V N -0.416 119.403 119.914 -0.157 0.000 2.878 150 V HA 0.030 4.123 4.120 -0.043 0.000 0.250 150 V C 0.894 176.925 176.094 -0.106 0.000 1.075 150 V CA 0.295 62.498 62.300 -0.162 0.000 1.096 150 V CB -0.610 31.146 31.823 -0.111 0.000 0.724 150 V HN 0.409 nan 8.190 nan 0.000 0.467 151 R N -0.370 120.089 120.500 -0.068 0.000 3.225 151 R HA -0.145 4.169 4.340 -0.043 0.000 0.245 151 R C -2.261 174.018 176.300 -0.036 0.000 0.928 151 R CA 0.304 56.376 56.100 -0.047 0.000 0.632 151 R CB -1.951 28.315 30.300 -0.056 0.000 1.038 151 R HN 0.454 nan 8.270 nan 0.000 0.461 152 P HA 0.002 nan 4.420 nan 0.000 0.272 152 P C 0.169 177.469 177.300 0.001 0.000 1.223 152 P CA -0.105 62.995 63.100 0.000 0.000 0.784 152 P CB 0.626 32.341 31.700 0.025 0.000 0.923 153 D N 1.370 121.775 120.400 0.009 0.000 2.149 153 D HA -0.049 4.565 4.640 -0.043 0.000 0.201 153 D C 0.413 176.706 176.300 -0.011 0.000 0.972 153 D CA 1.411 55.413 54.000 0.004 0.000 0.835 153 D CB 0.347 41.155 40.800 0.015 0.000 0.966 153 D HN 0.417 nan 8.370 nan 0.000 0.476 154 R N 0.096 120.595 120.500 -0.001 0.000 2.533 154 R HA 0.475 4.789 4.340 -0.043 0.000 0.288 154 R C -1.245 174.962 176.300 -0.156 0.000 1.039 154 R CA -0.403 55.625 56.100 -0.120 0.000 0.909 154 R CB 3.219 33.445 30.300 -0.124 0.000 1.195 154 R HN -0.172 nan 8.270 nan 0.000 0.438 155 V N 4.594 124.332 119.914 -0.293 0.000 2.513 155 V HA 0.619 4.713 4.120 -0.043 0.000 0.299 155 V C -1.377 174.410 176.094 -0.512 0.000 1.035 155 V CA -0.584 61.581 62.300 -0.226 0.000 0.889 155 V CB 1.185 32.967 31.823 -0.067 0.000 0.988 155 V HN 0.581 nan 8.190 nan 0.000 0.440 156 F N 6.571 126.297 119.950 -0.372 0.000 2.482 156 F HA 0.742 5.283 4.527 0.025 0.000 0.331 156 F C -0.437 175.028 175.800 -0.558 0.000 1.115 156 F CA -0.507 57.325 58.000 -0.281 0.000 0.955 156 F CB 1.764 40.680 39.000 -0.140 0.000 1.136 156 F HN 0.346 nan 8.300 nan 0.000 0.452 157 F N 0.450 120.504 119.950 0.172 0.000 2.588 157 F HA 0.661 5.149 4.527 -0.064 0.000 0.310 157 F C 0.568 176.445 175.800 0.128 0.000 1.082 157 F CA -1.343 56.738 58.000 0.136 0.000 0.929 157 F CB 1.669 40.712 39.000 0.073 0.000 1.254 157 F HN 0.536 nan 8.300 nan 0.000 0.455 158 G N 0.489 109.475 108.800 0.310 0.000 2.569 158 G HA2 0.256 4.190 3.960 -0.043 0.000 0.249 158 G HA3 0.256 4.190 3.960 -0.043 0.000 0.249 158 G C 0.264 175.293 174.900 0.216 0.000 1.216 158 G CA -0.347 44.882 45.100 0.216 0.000 0.845 158 G HN 0.817 nan 8.290 nan 0.000 0.568 159 E N -0.036 120.280 120.200 0.193 0.000 2.481 159 E HA -0.056 4.268 4.350 -0.043 0.000 0.195 159 E C 1.962 178.705 176.600 0.237 0.000 1.047 159 E CA 0.118 56.659 56.400 0.236 0.000 0.867 159 E CB 0.318 30.160 29.700 0.236 0.000 0.858 159 E HN 0.474 nan 8.360 nan 0.000 0.513 160 K N 1.568 122.074 120.400 0.178 0.000 2.057 160 K HA -0.118 4.176 4.320 -0.043 0.000 0.207 160 K C 0.354 177.062 176.600 0.181 0.000 1.049 160 K CA 1.237 57.613 56.287 0.150 0.000 0.931 160 K CB 0.148 32.718 32.500 0.116 0.000 0.714 160 K HN -0.116 nan 8.250 nan 0.000 0.440 161 D N 0.731 121.246 120.400 0.192 0.000 2.631 161 D HA -0.008 4.606 4.640 -0.043 0.000 0.227 161 D C 0.037 176.447 176.300 0.183 0.000 1.146 161 D CA -0.107 54.014 54.000 0.202 0.000 1.009 161 D CB 0.081 41.002 40.800 0.201 0.000 1.057 161 D HN 0.224 nan 8.370 nan 0.000 0.509 162 Y N 1.751 122.096 120.300 0.076 0.000 2.200 162 Y HA -0.213 4.312 4.550 -0.042 0.000 0.290 162 Y C 2.436 178.327 175.900 -0.015 0.000 1.137 162 Y CA 1.680 59.800 58.100 0.033 0.000 1.163 162 Y CB 0.316 38.797 38.460 0.036 0.000 0.988 162 Y HN 0.204 nan 8.280 nan 0.000 0.518 163 Q N 0.075 119.936 119.800 0.103 0.000 2.084 163 Q HA -0.305 4.009 4.340 -0.043 0.000 0.202 163 Q C 2.387 178.204 176.000 -0.304 0.000 0.978 163 Q CA 1.942 57.679 55.803 -0.109 0.000 0.844 163 Q CB -0.291 28.423 28.738 -0.040 0.000 0.898 163 Q HN 0.676 nan 8.270 nan 0.000 0.426 164 Q N 0.001 119.741 119.800 -0.099 0.000 2.096 164 Q HA -0.216 4.098 4.340 -0.043 0.000 0.204 164 Q C 2.136 177.958 176.000 -0.296 0.000 0.982 164 Q CA 1.583 57.325 55.803 -0.102 0.000 0.850 164 Q CB -0.135 28.697 28.738 0.158 0.000 0.901 164 Q HN 0.463 nan 8.270 nan 0.000 0.422 165 L N -0.084 120.955 121.223 -0.306 0.000 2.056 165 L HA -0.100 4.214 4.340 -0.043 0.000 0.207 165 L C 2.126 178.750 176.870 -0.410 0.000 1.078 165 L CA 1.329 55.939 54.840 -0.383 0.000 0.749 165 L CB -0.581 41.309 42.059 -0.281 0.000 0.901 165 L HN 0.075 nan 8.230 nan 0.000 0.433 166 V N -0.134 119.493 119.914 -0.480 0.000 2.287 166 V HA -0.312 3.781 4.120 -0.043 0.000 0.248 166 V C 2.628 178.523 176.094 -0.332 0.000 1.053 166 V CA 2.144 64.195 62.300 -0.415 0.000 1.027 166 V CB -0.600 30.970 31.823 -0.422 0.000 0.646 166 V HN 0.453 nan 8.190 nan 0.000 0.447 167 L N -0.875 120.126 121.223 -0.370 0.000 2.083 167 L HA -0.173 4.141 4.340 -0.043 0.000 0.209 167 L C 2.310 179.002 176.870 -0.297 0.000 1.083 167 L CA 1.555 56.188 54.840 -0.345 0.000 0.752 167 L CB -0.414 41.380 42.059 -0.443 0.000 0.899 167 L HN 0.276 nan 8.230 nan 0.000 0.433 168 I N -0.702 119.672 120.570 -0.327 0.000 2.315 168 I HA -0.270 3.874 4.170 -0.043 0.000 0.248 168 I C 2.665 178.645 176.117 -0.228 0.000 1.117 168 I CA 1.153 62.268 61.300 -0.309 0.000 1.404 168 I CB -0.236 37.450 38.000 -0.525 0.000 1.071 168 I HN 0.183 nan 8.210 nan 0.000 0.419 169 R N 0.275 120.640 120.500 -0.225 0.000 2.115 169 R HA -0.162 4.152 4.340 -0.043 0.000 0.230 169 R C 2.254 178.457 176.300 -0.162 0.000 1.111 169 R CA 1.122 57.126 56.100 -0.161 0.000 0.976 169 R CB -0.255 29.950 30.300 -0.158 0.000 0.870 169 R HN 0.513 nan 8.270 nan 0.000 0.445 170 Q N 0.473 120.153 119.800 -0.199 0.000 2.084 170 Q HA -0.167 4.147 4.340 -0.043 0.000 0.202 170 Q C 2.199 178.045 176.000 -0.258 0.000 0.978 170 Q CA 1.186 56.865 55.803 -0.207 0.000 0.844 170 Q CB -0.187 28.420 28.738 -0.219 0.000 0.898 170 Q HN 0.191 nan 8.270 nan 0.000 0.426 171 L N 0.284 121.332 121.223 -0.292 0.000 2.012 171 L HA -0.188 4.126 4.340 -0.043 0.000 0.210 171 L C 2.152 178.870 176.870 -0.254 0.000 1.073 171 L CA 1.539 56.145 54.840 -0.390 0.000 0.748 171 L CB -0.497 41.413 42.059 -0.248 0.000 0.891 171 L HN -0.013 nan 8.230 nan 0.000 0.431 172 V N -0.032 119.803 119.914 -0.132 0.000 2.307 172 V HA -0.272 3.822 4.120 -0.043 0.000 0.245 172 V C 2.770 178.842 176.094 -0.036 0.000 1.045 172 V CA 1.669 63.944 62.300 -0.043 0.000 1.024 172 V CB -1.153 30.652 31.823 -0.030 0.000 0.651 172 V HN 0.640 nan 8.190 nan 0.000 0.449 173 A N -0.136 122.640 122.820 -0.074 0.000 1.873 173 A HA -0.227 4.067 4.320 -0.043 0.000 0.215 173 A C 1.951 179.514 177.584 -0.036 0.000 1.186 173 A CA 2.010 54.016 52.037 -0.051 0.000 0.616 173 A CB -0.594 18.366 19.000 -0.068 0.000 0.823 173 A HN 0.540 nan 8.150 nan 0.000 0.442 174 D N -1.259 119.079 120.400 -0.104 0.000 2.269 174 D HA -0.014 4.600 4.640 -0.043 0.000 0.208 174 D C 0.624 177.012 176.300 0.148 0.000 0.963 174 D CA 0.789 54.742 54.000 -0.077 0.000 0.864 174 D CB -0.154 40.486 40.800 -0.266 0.000 0.936 174 D HN 0.416 nan 8.370 nan 0.000 0.505 175 F N 0.095 120.034 119.950 -0.019 0.000 2.639 175 F HA 0.178 4.679 4.527 -0.043 0.000 0.302 175 F C 0.184 175.976 175.800 -0.014 0.000 1.097 175 F CA -0.901 57.090 58.000 -0.014 0.000 1.294 175 F CB -1.001 37.992 39.000 -0.011 0.000 1.027 175 F HN -0.189 nan 8.300 nan 0.000 0.550 176 N N 0.374 119.164 118.700 0.149 0.000 2.754 176 N HA -0.221 4.493 4.740 -0.043 0.000 0.248 176 N C -0.657 174.893 175.510 0.066 0.000 1.093 176 N CA 0.226 53.322 53.050 0.077 0.000 0.699 176 N CB -1.714 36.807 38.487 0.058 0.000 1.016 176 N HN 0.196 nan 8.380 nan 0.000 0.552 177 L N 0.659 121.930 121.223 0.080 0.000 2.416 177 L HA 0.157 4.471 4.340 -0.043 0.000 0.272 177 L C 0.606 177.494 176.870 0.030 0.000 1.161 177 L CA -0.228 54.649 54.840 0.062 0.000 0.845 177 L CB 0.316 42.422 42.059 0.078 0.000 1.119 177 L HN 0.215 nan 8.230 nan 0.000 0.464 178 D N 2.787 123.198 120.400 0.019 0.000 2.639 178 D HA 0.321 4.935 4.640 -0.043 0.000 0.233 178 D C -0.492 175.809 176.300 0.002 0.000 1.161 178 D CA -0.228 53.776 54.000 0.006 0.000 1.003 178 D CB 1.021 41.822 40.800 0.001 0.000 1.034 178 D HN 0.132 nan 8.370 nan 0.000 0.514 179 V N 0.304 120.219 119.914 0.002 0.000 3.007 179 V HA 0.802 4.896 4.120 -0.043 0.000 0.311 179 V C -1.144 174.936 176.094 -0.024 0.000 1.120 179 V CA -0.933 61.363 62.300 -0.008 0.000 0.980 179 V CB 1.952 33.779 31.823 0.007 0.000 1.033 179 V HN 0.621 nan 8.190 nan 0.000 0.429 180 A N 4.981 127.770 122.820 -0.050 0.000 2.290 180 A HA 0.745 5.039 4.320 -0.043 0.000 0.310 180 A C -0.621 176.891 177.584 -0.121 0.000 1.202 180 A CA -0.427 51.565 52.037 -0.076 0.000 0.837 180 A CB 1.090 20.041 19.000 -0.082 0.000 1.139 180 A HN 1.061 nan 8.150 nan 0.000 0.509 181 V N 3.651 123.516 119.914 -0.083 0.000 2.406 181 V HA 0.291 4.385 4.120 -0.043 0.000 0.272 181 V C -0.074 175.946 176.094 -0.123 0.000 1.043 181 V CA -0.326 61.936 62.300 -0.062 0.000 0.915 181 V CB 1.092 32.926 31.823 0.019 0.000 0.988 181 V HN 0.574 nan 8.190 nan 0.000 0.466 182 V N 4.420 124.184 119.914 -0.250 0.000 2.347 182 V HA 0.629 4.723 4.120 -0.043 0.000 0.280 182 V C 0.775 176.855 176.094 -0.023 0.000 1.021 182 V CA -0.367 61.792 62.300 -0.235 0.000 0.847 182 V CB 1.541 33.002 31.823 -0.603 0.000 0.990 182 V HN 0.938 nan 8.190 nan 0.000 0.444 183 G N 3.828 112.662 108.800 0.055 0.000 2.322 183 G HA2 0.558 4.492 3.960 -0.043 0.000 0.309 183 G HA3 0.558 4.492 3.960 -0.043 0.000 0.309 183 G C -0.767 174.220 174.900 0.146 0.000 1.121 183 G CA -0.319 44.858 45.100 0.129 0.000 0.886 183 G HN 0.537 nan 8.290 nan 0.000 0.447 184 V N 4.856 124.879 119.914 0.181 0.000 2.398 184 V HA 0.312 4.406 4.120 -0.043 0.000 0.286 184 V C -1.958 174.219 176.094 0.139 0.000 1.026 184 V CA -1.692 60.707 62.300 0.166 0.000 0.868 184 V CB 2.029 33.965 31.823 0.189 0.000 0.982 184 V HN 0.567 nan 8.190 nan 0.000 0.443 185 P HA 0.112 nan 4.420 nan 0.000 0.269 185 P C 0.079 177.433 177.300 0.090 0.000 1.209 185 P CA 0.072 63.230 63.100 0.097 0.000 0.776 185 P CB 0.221 31.966 31.700 0.075 0.000 0.876 186 T N 2.019 116.624 114.554 0.085 0.000 2.902 186 T HA 0.102 4.426 4.350 -0.043 0.000 0.301 186 T C 0.397 175.128 174.700 0.053 0.000 1.012 186 T CA -0.088 62.056 62.100 0.073 0.000 1.151 186 T CB -0.013 68.893 68.868 0.063 0.000 0.946 186 T HN 0.043 nan 8.240 nan 0.000 0.542 187 V N 5.453 125.397 119.914 0.050 0.000 2.546 187 V HA 0.386 4.480 4.120 -0.043 0.000 0.284 187 V C 0.609 176.709 176.094 0.010 0.000 1.050 187 V CA -0.328 61.995 62.300 0.037 0.000 0.981 187 V CB 0.940 32.796 31.823 0.055 0.000 0.990 187 V HN 0.734 nan 8.190 nan 0.000 0.474 188 R N 2.433 122.936 120.500 0.006 0.000 2.750 188 R HA 0.463 4.777 4.340 -0.043 0.000 0.281 188 R C -0.641 175.652 176.300 -0.011 0.000 0.972 188 R CA -0.964 55.131 56.100 -0.009 0.000 0.912 188 R CB 1.916 32.216 30.300 0.000 0.000 1.187 188 R HN 0.635 nan 8.270 nan 0.000 0.464 189 E N 0.795 120.982 120.200 -0.023 0.000 2.425 189 E HA -0.044 4.280 4.350 -0.043 0.000 0.258 189 E C 0.928 177.522 176.600 -0.009 0.000 1.151 189 E CA 0.290 56.679 56.400 -0.018 0.000 0.958 189 E CB 0.557 30.241 29.700 -0.027 0.000 0.968 189 E HN 0.776 nan 8.360 nan 0.000 0.451 190 A N 2.001 124.816 122.820 -0.007 0.000 1.986 190 A HA -0.233 4.061 4.320 -0.043 0.000 0.220 190 A C 1.462 179.042 177.584 -0.005 0.000 1.171 190 A CA 2.156 54.191 52.037 -0.004 0.000 0.640 190 A CB -0.444 18.554 19.000 -0.004 0.000 0.811 190 A HN 0.632 nan 8.150 nan 0.000 0.451 191 D N -2.538 117.856 120.400 -0.009 0.000 2.355 191 D HA 0.245 4.859 4.640 -0.043 0.000 0.218 191 D C 1.213 177.508 176.300 -0.008 0.000 1.004 191 D CA 1.246 55.240 54.000 -0.009 0.000 0.880 191 D CB -0.373 40.420 40.800 -0.011 0.000 0.911 191 D HN 0.833 nan 8.370 nan 0.000 0.528 192 G N -0.028 108.768 108.800 -0.007 0.000 2.231 192 G HA2 -0.222 3.712 3.960 -0.043 0.000 0.206 192 G HA3 -0.222 3.712 3.960 -0.043 0.000 0.206 192 G C -0.050 174.844 174.900 -0.010 0.000 0.996 192 G CA -0.046 45.051 45.100 -0.005 0.000 0.645 192 G HN 0.442 nan 8.290 nan 0.000 0.498 193 L N 2.518 123.731 121.223 -0.017 0.000 2.513 193 L HA 0.679 4.993 4.340 -0.043 0.000 0.272 193 L C 1.029 177.880 176.870 -0.033 0.000 1.187 193 L CA 0.207 55.032 54.840 -0.025 0.000 0.895 193 L CB 0.247 42.288 42.059 -0.031 0.000 1.147 193 L HN 0.996 nan 8.230 nan 0.000 0.483 194 A N 7.008 129.810 122.820 -0.030 0.000 2.511 194 A HA 0.269 4.563 4.320 -0.043 0.000 0.242 194 A C 0.507 178.041 177.584 -0.085 0.000 1.069 194 A CA -0.410 51.605 52.037 -0.037 0.000 0.763 194 A CB -0.188 18.803 19.000 -0.015 0.000 1.001 194 A HN 0.777 nan 8.150 nan 0.000 0.498 195 M N 1.756 121.278 119.600 -0.129 0.000 2.249 195 M HA 0.260 4.714 4.480 -0.043 0.000 0.340 195 M C 0.573 176.650 176.300 -0.371 0.000 1.166 195 M CA 0.834 55.951 55.300 -0.305 0.000 1.115 195 M CB 0.383 32.737 32.600 -0.409 0.000 1.606 195 M HN 0.859 nan 8.290 nan 0.000 0.448 196 S N 0.446 115.876 115.700 -0.450 0.000 2.556 196 S HA 0.317 4.761 4.470 -0.043 0.000 0.280 196 S C 0.370 174.904 174.600 -0.111 0.000 1.141 196 S CA -0.617 57.461 58.200 -0.202 0.000 0.883 196 S CB 1.176 64.346 63.200 -0.051 0.000 1.103 196 S HN 0.636 nan 8.310 nan 0.000 0.453 197 S N 2.699 118.484 115.700 0.142 0.000 2.507 197 S HA 0.019 4.463 4.470 -0.043 0.000 0.235 197 S C 1.527 176.096 174.600 -0.052 0.000 0.988 197 S CA 0.558 58.829 58.200 0.117 0.000 0.944 197 S CB -0.197 63.107 63.200 0.173 0.000 0.762 197 S HN 0.648 nan 8.310 nan 0.000 0.526 198 R N 1.076 121.583 120.500 0.012 0.000 2.297 198 R HA 0.203 4.517 4.340 -0.043 0.000 0.197 198 R C 1.131 177.425 176.300 -0.010 0.000 0.943 198 R CA -0.003 56.142 56.100 0.076 0.000 1.038 198 R CB -0.081 30.325 30.300 0.176 0.000 0.957 198 R HN 0.244 nan 8.270 nan 0.000 0.484 199 N N 1.675 120.329 118.700 -0.078 0.000 2.272 199 N HA -0.186 4.528 4.740 -0.043 0.000 0.185 199 N C 1.574 176.997 175.510 -0.144 0.000 1.014 199 N CA 1.082 54.080 53.050 -0.086 0.000 0.870 199 N CB -0.160 38.268 38.487 -0.098 0.000 0.975 199 N HN 0.388 nan 8.380 nan 0.000 0.433 200 R N -0.418 119.909 120.500 -0.289 0.000 2.293 200 R HA -0.082 4.232 4.340 -0.043 0.000 0.219 200 R C 0.506 176.554 176.300 -0.421 0.000 1.091 200 R CA 1.006 56.876 56.100 -0.384 0.000 1.004 200 R CB -0.485 29.506 30.300 -0.516 0.000 0.865 200 R HN 0.236 nan 8.270 nan 0.000 0.469 201 Y N 1.162 121.445 120.300 -0.030 0.000 2.461 201 Y HA 0.319 4.842 4.550 -0.044 0.000 0.277 201 Y C 0.405 176.292 175.900 -0.021 0.000 1.182 201 Y CA -0.587 57.498 58.100 -0.025 0.000 1.276 201 Y CB 0.189 38.633 38.460 -0.026 0.000 1.087 201 Y HN -0.084 nan 8.280 nan 0.000 0.519 202 L N 2.174 123.437 121.223 0.066 0.000 2.281 202 L HA 0.198 4.512 4.340 -0.043 0.000 0.285 202 L C 0.212 177.095 176.870 0.020 0.000 1.074 202 L CA -0.809 54.053 54.840 0.037 0.000 0.817 202 L CB 0.391 42.455 42.059 0.008 0.000 1.168 202 L HN 0.185 nan 8.230 nan 0.000 0.434 203 D N 3.687 124.102 120.400 0.024 0.000 2.384 203 D HA 0.119 4.733 4.640 -0.043 0.000 0.244 203 D C -1.974 174.328 176.300 0.003 0.000 1.251 203 D CA -1.745 52.263 54.000 0.014 0.000 0.961 203 D CB 0.266 41.076 40.800 0.016 0.000 1.116 203 D HN 0.139 nan 8.370 nan 0.000 0.484 204 P HA -0.120 nan 4.420 nan 0.000 0.216 204 P C 1.179 178.476 177.300 -0.004 0.000 1.150 204 P CA 2.554 65.651 63.100 -0.004 0.000 0.837 204 P CB -0.072 31.625 31.700 -0.004 0.000 0.786 205 A N -0.542 122.277 122.820 -0.002 0.000 1.898 205 A HA -0.243 4.051 4.320 -0.043 0.000 0.216 205 A C 2.194 179.776 177.584 -0.003 0.000 1.181 205 A CA 1.560 53.596 52.037 -0.002 0.000 0.620 205 A CB -1.220 17.779 19.000 -0.001 0.000 0.819 205 A HN 0.196 nan 8.150 nan 0.000 0.442 206 Q N -1.160 118.640 119.800 0.000 0.000 2.119 206 Q HA -0.162 4.152 4.340 -0.043 0.000 0.201 206 Q C 2.289 178.287 176.000 -0.003 0.000 0.972 206 Q CA 1.454 57.257 55.803 0.001 0.000 0.847 206 Q CB -0.170 28.573 28.738 0.008 0.000 0.903 206 Q HN 0.549 nan 8.270 nan 0.000 0.433 207 R N 1.309 121.806 120.500 -0.005 0.000 2.091 207 R HA -0.138 4.176 4.340 -0.043 0.000 0.238 207 R C 1.952 178.245 176.300 -0.012 0.000 1.136 207 R CA 1.778 57.872 56.100 -0.011 0.000 0.959 207 R CB -0.819 29.473 30.300 -0.015 0.000 0.856 207 R HN 0.250 nan 8.270 nan 0.000 0.437 208 A N 0.210 123.024 122.820 -0.010 0.000 1.883 208 A HA -0.068 4.226 4.320 -0.043 0.000 0.217 208 A C 2.396 179.974 177.584 -0.010 0.000 1.186 208 A CA 2.027 54.059 52.037 -0.010 0.000 0.624 208 A CB -1.179 17.816 19.000 -0.008 0.000 0.822 208 A HN 0.509 nan 8.150 nan 0.000 0.444 209 A N -0.516 122.298 122.820 -0.009 0.000 2.014 209 A HA 0.295 4.589 4.320 -0.043 0.000 0.218 209 A C 2.355 179.932 177.584 -0.012 0.000 1.163 209 A CA 1.587 53.618 52.037 -0.010 0.000 0.652 209 A CB -0.805 18.190 19.000 -0.009 0.000 0.808 209 A HN 1.088 nan 8.150 nan 0.000 0.449 210 A N -0.585 122.228 122.820 -0.013 0.000 2.125 210 A HA 0.025 4.319 4.320 -0.043 0.000 0.219 210 A C 2.086 179.660 177.584 -0.017 0.000 1.156 210 A CA 1.368 53.396 52.037 -0.015 0.000 0.671 210 A CB -0.821 18.170 19.000 -0.015 0.000 0.794 210 A HN 0.684 nan 8.150 nan 0.000 0.459 211 V N -0.339 119.566 119.914 -0.015 0.000 2.867 211 V HA -0.160 3.934 4.120 -0.043 0.000 0.260 211 V C 2.591 178.677 176.094 -0.013 0.000 1.099 211 V CA 1.815 64.107 62.300 -0.014 0.000 1.122 211 V CB -0.658 31.158 31.823 -0.013 0.000 0.708 211 V HN 0.607 nan 8.190 nan 0.000 0.490 212 A N -0.456 122.355 122.820 -0.013 0.000 2.019 212 A HA -0.121 4.173 4.320 -0.043 0.000 0.219 212 A C 1.992 179.568 177.584 -0.014 0.000 1.164 212 A CA 1.805 53.834 52.037 -0.013 0.000 0.644 212 A CB -0.431 18.561 19.000 -0.013 0.000 0.805 212 A HN 0.521 nan 8.150 nan 0.000 0.449 213 L N 0.517 121.729 121.223 -0.018 0.000 2.005 213 L HA -0.165 4.149 4.340 -0.043 0.000 0.207 213 L C 3.050 179.912 176.870 -0.012 0.000 1.072 213 L CA 2.425 57.253 54.840 -0.021 0.000 0.744 213 L CB -0.824 41.218 42.059 -0.028 0.000 0.895 213 L HN 0.548 nan 8.230 nan 0.000 0.433 214 S N -0.737 114.958 115.700 -0.009 0.000 2.402 214 S HA -0.137 4.307 4.470 -0.043 0.000 0.229 214 S C 2.144 176.746 174.600 0.003 0.000 1.021 214 S CA 0.761 58.960 58.200 -0.002 0.000 0.974 214 S CB -0.778 62.420 63.200 -0.002 0.000 0.800 214 S HN 0.321 nan 8.310 nan 0.000 0.484 215 A N 2.432 125.251 122.820 -0.001 0.000 1.883 215 A HA 0.224 4.518 4.320 -0.043 0.000 0.217 215 A C 2.590 180.178 177.584 0.006 0.000 1.186 215 A CA 1.961 53.998 52.037 0.000 0.000 0.624 215 A CB -1.588 17.409 19.000 -0.006 0.000 0.822 215 A HN 0.879 nan 8.150 nan 0.000 0.444 216 A N -0.272 122.549 122.820 0.002 0.000 1.902 216 A HA -0.053 4.241 4.320 -0.043 0.000 0.217 216 A C 2.194 179.785 177.584 0.012 0.000 1.181 216 A CA 1.551 53.591 52.037 0.005 0.000 0.623 216 A CB -0.651 18.348 19.000 -0.002 0.000 0.818 216 A HN 0.484 nan 8.150 nan 0.000 0.443 217 L N -0.683 120.546 121.223 0.009 0.000 2.046 217 L HA -0.163 4.151 4.340 -0.043 0.000 0.208 217 L C 2.769 179.658 176.870 0.032 0.000 1.077 217 L CA 1.830 56.677 54.840 0.011 0.000 0.747 217 L CB -1.101 40.958 42.059 -0.000 0.000 0.896 217 L HN 0.370 nan 8.230 nan 0.000 0.432 218 T N -0.085 114.499 114.554 0.050 0.000 2.821 218 T HA -0.108 4.216 4.350 -0.043 0.000 0.267 218 T C 2.062 176.867 174.700 0.174 0.000 1.046 218 T CA 1.119 63.287 62.100 0.114 0.000 1.139 218 T CB -0.244 68.676 68.868 0.088 0.000 0.871 218 T HN 0.423 nan 8.240 nan 0.000 0.454 219 A N 1.782 124.653 122.820 0.086 0.000 1.883 219 A HA 0.110 4.404 4.320 -0.043 0.000 0.217 219 A C 2.701 180.335 177.584 0.085 0.000 1.186 219 A CA 1.903 53.983 52.037 0.071 0.000 0.624 219 A CB -1.247 17.770 19.000 0.029 0.000 0.822 219 A HN 0.514 nan 8.150 nan 0.000 0.444 220 A N -0.227 122.625 122.820 0.053 0.000 1.908 220 A HA 0.123 4.417 4.320 -0.043 0.000 0.218 220 A C 2.494 180.091 177.584 0.022 0.000 1.181 220 A CA 2.222 54.278 52.037 0.032 0.000 0.627 220 A CB -1.006 18.002 19.000 0.013 0.000 0.818 220 A HN 1.123 nan 8.150 nan 0.000 0.445 221 A N -1.277 121.551 122.820 0.014 0.000 1.969 221 A HA -0.164 4.130 4.320 -0.043 0.000 0.218 221 A C 2.014 179.507 177.584 -0.151 0.000 1.169 221 A CA 1.476 53.463 52.037 -0.083 0.000 0.635 221 A CB -0.828 18.098 19.000 -0.123 0.000 0.810 221 A HN 0.723 nan 8.150 nan 0.000 0.445 222 H N -0.967 118.098 119.070 -0.008 0.000 2.415 222 H HA 0.110 4.640 4.556 -0.042 0.000 0.297 222 H C 2.492 177.817 175.328 -0.005 0.000 1.048 222 H CA 1.019 57.064 56.048 -0.005 0.000 1.365 222 H CB -0.148 29.611 29.762 -0.005 0.000 1.421 222 H HN 0.541 nan 8.280 nan 0.000 0.533 223 A N 1.443 124.322 122.820 0.098 0.000 2.070 223 A HA -0.040 4.254 4.320 -0.043 0.000 0.220 223 A C 2.563 180.162 177.584 0.024 0.000 1.159 223 A CA 1.137 53.205 52.037 0.051 0.000 0.656 223 A CB -0.559 18.463 19.000 0.037 0.000 0.800 223 A HN 0.411 nan 8.150 nan 0.000 0.453 224 A N 0.012 122.836 122.820 0.007 0.000 2.125 224 A HA -0.058 4.236 4.320 -0.043 0.000 0.219 224 A C 2.257 179.835 177.584 -0.010 0.000 1.156 224 A CA 2.069 54.100 52.037 -0.011 0.000 0.671 224 A CB -1.296 17.685 19.000 -0.031 0.000 0.794 224 A HN 0.787 nan 8.150 nan 0.000 0.459 225 T N -2.698 111.854 114.554 -0.004 0.000 2.929 225 T HA 0.078 4.402 4.350 -0.043 0.000 0.271 225 T C 1.514 176.215 174.700 0.002 0.000 1.085 225 T CA 1.343 63.442 62.100 -0.001 0.000 1.125 225 T CB -0.328 68.544 68.868 0.007 0.000 0.874 225 T HN 0.585 nan 8.240 nan 0.000 0.494 226 A N 0.761 123.585 122.820 0.006 0.000 2.275 226 A HA 0.662 4.956 4.320 -0.043 0.000 0.212 226 A C 1.303 178.888 177.584 0.002 0.000 1.201 226 A CA 0.287 52.328 52.037 0.005 0.000 0.843 226 A CB -0.771 18.234 19.000 0.009 0.000 0.873 226 A HN 1.358 nan 8.150 nan 0.000 0.492 227 G N -2.469 106.331 108.800 -0.000 0.000 2.592 227 G HA2 0.283 4.217 3.960 -0.043 0.000 0.684 227 G HA3 0.283 4.217 3.960 -0.043 0.000 0.684 227 G C 0.773 175.671 174.900 -0.002 0.000 1.291 227 G CA -0.198 44.900 45.100 -0.002 0.000 0.891 227 G HN 1.191 nan 8.290 nan 0.000 0.544 228 A N -0.940 121.878 122.820 -0.003 0.000 1.898 228 A HA 0.051 4.345 4.320 -0.043 0.000 0.216 228 A C 2.320 179.904 177.584 0.001 0.000 1.181 228 A CA 2.706 54.742 52.037 -0.003 0.000 0.620 228 A CB -0.567 18.431 19.000 -0.004 0.000 0.819 228 A HN 1.360 nan 8.150 nan 0.000 0.442 229 Q N -0.068 119.733 119.800 0.002 0.000 2.084 229 Q HA -0.078 4.236 4.340 -0.043 0.000 0.202 229 Q C 2.042 178.045 176.000 0.005 0.000 0.978 229 Q CA 2.255 58.060 55.803 0.004 0.000 0.844 229 Q CB -0.563 28.177 28.738 0.003 0.000 0.898 229 Q HN 0.560 nan 8.270 nan 0.000 0.426 230 A N 0.227 123.050 122.820 0.005 0.000 1.902 230 A HA -0.078 4.216 4.320 -0.043 0.000 0.217 230 A C 2.280 179.869 177.584 0.009 0.000 1.181 230 A CA 1.860 53.901 52.037 0.008 0.000 0.623 230 A CB -1.198 17.807 19.000 0.008 0.000 0.818 230 A HN 0.542 nan 8.150 nan 0.000 0.443 231 A N -0.246 122.578 122.820 0.007 0.000 1.858 231 A HA -0.051 4.243 4.320 -0.043 0.000 0.216 231 A C 2.187 179.776 177.584 0.009 0.000 1.190 231 A CA 1.516 53.558 52.037 0.008 0.000 0.617 231 A CB -0.688 18.312 19.000 -0.000 0.000 0.827 231 A HN 0.459 nan 8.150 nan 0.000 0.443 232 L N -0.411 120.817 121.223 0.008 0.000 2.042 232 L HA -0.221 4.093 4.340 -0.043 0.000 0.210 232 L C 2.067 178.944 176.870 0.011 0.000 1.076 232 L CA 1.583 56.429 54.840 0.011 0.000 0.749 232 L CB -0.603 41.463 42.059 0.011 0.000 0.893 232 L HN 0.336 nan 8.230 nan 0.000 0.432 233 D N -0.160 120.245 120.400 0.010 0.000 2.144 233 D HA -0.122 4.492 4.640 -0.043 0.000 0.200 233 D C 2.216 178.521 176.300 0.009 0.000 0.978 233 D CA 1.313 55.318 54.000 0.009 0.000 0.833 233 D CB -0.083 40.721 40.800 0.008 0.000 0.961 233 D HN 0.315 nan 8.370 nan 0.000 0.470 234 A N 1.155 123.982 122.820 0.011 0.000 1.877 234 A HA -0.075 4.219 4.320 -0.043 0.000 0.216 234 A C 2.321 179.911 177.584 0.010 0.000 1.186 234 A CA 2.347 54.391 52.037 0.012 0.000 0.620 234 A CB -0.815 18.196 19.000 0.018 0.000 0.822 234 A HN 0.239 nan 8.150 nan 0.000 0.443 235 A N -0.388 122.438 122.820 0.011 0.000 1.930 235 A HA -0.117 4.177 4.320 -0.043 0.000 0.217 235 A C 2.177 179.764 177.584 0.005 0.000 1.175 235 A CA 2.063 54.105 52.037 0.009 0.000 0.627 235 A CB -0.420 18.585 19.000 0.009 0.000 0.815 235 A HN 0.491 nan 8.150 nan 0.000 0.443 236 R N 0.286 120.791 120.500 0.007 0.000 2.096 236 R HA 0.003 4.317 4.340 -0.043 0.000 0.235 236 R C 2.076 178.377 176.300 0.003 0.000 1.127 236 R CA 1.855 57.959 56.100 0.006 0.000 0.968 236 R CB -0.794 29.511 30.300 0.009 0.000 0.861 236 R HN 0.367 nan 8.270 nan 0.000 0.440 237 A N -0.101 122.721 122.820 0.003 0.000 1.883 237 A HA -0.108 4.186 4.320 -0.043 0.000 0.217 237 A C 2.305 179.889 177.584 -0.001 0.000 1.186 237 A CA 1.858 53.896 52.037 0.002 0.000 0.624 237 A CB -0.791 18.210 19.000 0.002 0.000 0.822 237 A HN 0.188 nan 8.150 nan 0.000 0.444 238 V N 0.069 119.983 119.914 -0.000 0.000 2.295 238 V HA -0.259 3.835 4.120 -0.043 0.000 0.246 238 V C 2.576 178.667 176.094 -0.005 0.000 1.049 238 V CA 1.982 64.280 62.300 -0.003 0.000 1.024 238 V CB -0.839 30.983 31.823 -0.002 0.000 0.648 238 V HN 0.559 nan 8.190 nan 0.000 0.447 239 L N -0.182 121.038 121.223 -0.006 0.000 2.046 239 L HA -0.189 4.125 4.340 -0.043 0.000 0.208 239 L C 2.361 179.226 176.870 -0.009 0.000 1.077 239 L CA 1.555 56.389 54.840 -0.010 0.000 0.747 239 L CB -0.781 41.270 42.059 -0.013 0.000 0.896 239 L HN 0.320 nan 8.230 nan 0.000 0.432 240 D N 0.292 120.689 120.400 -0.005 0.000 2.182 240 D HA -0.150 4.463 4.640 -0.043 0.000 0.201 240 D C 2.067 178.364 176.300 -0.004 0.000 0.986 240 D CA 1.414 55.412 54.000 -0.004 0.000 0.847 240 D CB 0.010 40.809 40.800 -0.001 0.000 0.942 240 D HN 0.332 nan 8.370 nan 0.000 0.467 241 A N -0.045 122.772 122.820 -0.005 0.000 2.235 241 A HA 0.373 4.667 4.320 -0.043 0.000 0.208 241 A C 1.098 178.678 177.584 -0.006 0.000 1.172 241 A CA 0.480 52.514 52.037 -0.005 0.000 0.786 241 A CB -0.023 18.974 19.000 -0.005 0.000 0.804 241 A HN 0.161 nan 8.150 nan 0.000 0.479 242 A N 1.535 124.350 122.820 -0.007 0.000 2.292 242 A HA 0.607 4.901 4.320 -0.043 0.000 0.319 242 A C -2.534 175.045 177.584 -0.008 0.000 1.206 242 A CA -1.852 50.179 52.037 -0.008 0.000 0.835 242 A CB 0.240 19.234 19.000 -0.011 0.000 1.164 242 A HN 0.204 nan 8.150 nan 0.000 0.505 243 P HA 0.170 nan 4.420 nan 0.000 0.265 243 P C 0.755 178.051 177.300 -0.007 0.000 1.222 243 P CA 1.359 64.455 63.100 -0.006 0.000 0.767 243 P CB 0.517 32.214 31.700 -0.006 0.000 0.801 244 G N 2.280 111.076 108.800 -0.007 0.000 2.221 244 G HA2 -0.189 3.745 3.960 -0.043 0.000 0.265 244 G HA3 -0.189 3.745 3.960 -0.043 0.000 0.265 244 G C -0.107 174.787 174.900 -0.010 0.000 1.041 244 G CA -0.233 44.863 45.100 -0.007 0.000 0.807 244 G HN 0.526 nan 8.290 nan 0.000 0.502 245 V N 0.528 120.435 119.914 -0.012 0.000 2.350 245 V HA 0.713 4.807 4.120 -0.043 0.000 0.276 245 V C 0.656 176.738 176.094 -0.019 0.000 1.028 245 V CA -0.142 62.148 62.300 -0.018 0.000 0.860 245 V CB 1.466 33.278 31.823 -0.020 0.000 0.990 245 V HN 1.092 nan 8.190 nan 0.000 0.453 246 A N 5.737 128.543 122.820 -0.023 0.000 2.280 246 A HA 0.670 4.963 4.320 -0.043 0.000 0.320 246 A C -0.286 177.277 177.584 -0.035 0.000 1.366 246 A CA -0.422 51.601 52.037 -0.023 0.000 0.938 246 A CB 0.601 19.591 19.000 -0.017 0.000 1.157 246 A HN 0.625 nan 8.150 nan 0.000 0.536 247 V N 3.518 123.413 119.914 -0.033 0.000 2.521 247 V HA 0.014 4.108 4.120 -0.043 0.000 0.286 247 V C 1.187 177.256 176.094 -0.042 0.000 1.034 247 V CA 0.183 62.453 62.300 -0.050 0.000 1.045 247 V CB 1.007 32.810 31.823 -0.032 0.000 0.974 247 V HN 1.060 nan 8.190 nan 0.000 0.480 248 D N 3.477 123.826 120.400 -0.086 0.000 2.178 248 D HA 0.005 4.619 4.640 -0.043 0.000 0.217 248 D C 0.153 176.480 176.300 0.045 0.000 0.992 248 D CA 1.350 55.326 54.000 -0.040 0.000 0.895 248 D CB 0.362 41.093 40.800 -0.115 0.000 1.031 248 D HN 0.618 nan 8.370 nan 0.000 0.453 249 Y N -1.215 119.091 120.300 0.010 0.000 2.609 249 Y HA 0.635 5.158 4.550 -0.045 0.000 0.342 249 Y C -1.484 174.421 175.900 0.009 0.000 1.058 249 Y CA -1.634 56.472 58.100 0.011 0.000 1.055 249 Y CB 1.201 39.671 38.460 0.016 0.000 1.292 249 Y HN -0.095 nan 8.280 nan 0.000 0.476 250 L N 2.068 123.448 121.223 0.262 0.000 2.541 250 L HA 0.572 4.886 4.340 -0.043 0.000 0.266 250 L C -1.622 175.349 176.870 0.168 0.000 0.966 250 L CA -0.294 54.651 54.840 0.174 0.000 0.871 250 L CB 1.752 43.853 42.059 0.070 0.000 1.232 250 L HN 0.861 nan 8.230 nan 0.000 0.408 251 E N 4.285 124.593 120.200 0.179 0.000 2.272 251 E HA 0.445 4.769 4.350 -0.043 0.000 0.269 251 E C -1.735 174.893 176.600 0.047 0.000 0.877 251 E CA -0.990 55.461 56.400 0.085 0.000 0.755 251 E CB 3.057 32.774 29.700 0.028 0.000 1.192 251 E HN 0.474 nan 8.360 nan 0.000 0.422 252 L N 3.363 124.597 121.223 0.019 0.000 2.287 252 L HA 0.479 4.793 4.340 -0.043 0.000 0.287 252 L C -0.891 175.974 176.870 -0.007 0.000 1.022 252 L CA 0.033 54.873 54.840 0.001 0.000 0.814 252 L CB 0.699 42.757 42.059 -0.002 0.000 1.217 252 L HN 0.482 nan 8.230 nan 0.000 0.420 253 R N 2.362 122.854 120.500 -0.013 0.000 2.905 253 R HA 0.436 4.750 4.340 -0.043 0.000 0.260 253 R C -1.176 175.121 176.300 -0.006 0.000 1.086 253 R CA -1.058 55.036 56.100 -0.009 0.000 0.978 253 R CB 1.089 31.385 30.300 -0.007 0.000 1.215 253 R HN 0.697 nan 8.270 nan 0.000 0.480 254 D N 0.303 120.703 120.400 0.000 0.000 2.378 254 D HA -0.025 4.588 4.640 -0.043 0.000 0.238 254 D C 1.354 177.676 176.300 0.037 0.000 1.180 254 D CA -0.057 53.948 54.000 0.008 0.000 0.895 254 D CB 0.717 41.520 40.800 0.004 0.000 1.192 254 D HN 0.536 nan 8.370 nan 0.000 0.438 255 I N -0.541 120.059 120.570 0.050 0.000 2.567 255 I HA 0.075 4.219 4.170 -0.043 0.000 0.257 255 I C 1.752 177.974 176.117 0.175 0.000 1.184 255 I CA 1.072 62.446 61.300 0.124 0.000 1.451 255 I CB -0.463 37.602 38.000 0.109 0.000 1.089 255 I HN 0.369 nan 8.210 nan 0.000 0.441 256 G N 0.926 109.769 108.800 0.071 0.000 2.920 256 G HA2 0.219 4.153 3.960 -0.043 0.000 0.208 256 G HA3 0.219 4.153 3.960 -0.043 0.000 0.208 256 G C 1.151 176.054 174.900 0.005 0.000 1.159 256 G CA 0.099 45.208 45.100 0.015 0.000 0.784 256 G HN 0.524 nan 8.290 nan 0.000 0.535 257 L N -1.692 119.559 121.223 0.046 0.000 4.555 257 L HA -0.209 4.105 4.340 -0.043 0.000 0.431 257 L C 1.558 178.412 176.870 -0.027 0.000 1.136 257 L CA 0.258 55.108 54.840 0.017 0.000 0.972 257 L CB -1.957 40.111 42.059 0.016 0.000 1.999 257 L HN 0.347 nan 8.230 nan 0.000 0.900 258 G N 0.065 108.848 108.800 -0.029 0.000 2.606 258 G HA2 0.577 4.511 3.960 -0.043 0.000 0.262 258 G HA3 0.577 4.511 3.960 -0.043 0.000 0.262 258 G C -2.043 172.836 174.900 -0.034 0.000 1.394 258 G CA -0.073 45.001 45.100 -0.043 0.000 1.044 258 G HN 0.096 nan 8.290 nan 0.000 0.553 259 P HA 0.205 nan 4.420 nan 0.000 0.220 259 P C -0.616 176.671 177.300 -0.022 0.000 1.778 259 P CA 0.344 63.428 63.100 -0.028 0.000 0.912 259 P CB -0.374 31.309 31.700 -0.028 0.000 1.861 260 M N 0.027 119.615 119.600 -0.019 0.000 2.501 260 M HA 0.578 5.032 4.480 -0.043 0.000 0.293 260 M C -2.974 173.318 176.300 -0.013 0.000 1.192 260 M CA -2.566 52.725 55.300 -0.015 0.000 0.886 260 M CB 2.200 34.792 32.600 -0.014 0.000 1.710 260 M HN -0.254 nan 8.290 nan 0.000 0.457 261 P HA 0.238 nan 4.420 nan 0.000 0.274 261 P C -0.631 176.664 177.300 -0.008 0.000 1.237 261 P CA -0.603 62.491 63.100 -0.010 0.000 0.793 261 P CB 0.805 32.500 31.700 -0.009 0.000 0.977 262 L N 2.617 123.835 121.223 -0.008 0.000 2.628 262 L HA -0.064 4.250 4.340 -0.043 0.000 0.274 262 L C 1.037 177.902 176.870 -0.008 0.000 1.209 262 L CA 0.783 55.618 54.840 -0.008 0.000 0.930 262 L CB -1.022 41.031 42.059 -0.009 0.000 1.183 262 L HN 0.578 nan 8.230 nan 0.000 0.492 263 N N 2.706 121.402 118.700 -0.007 0.000 2.129 263 N HA 0.335 5.049 4.740 -0.043 0.000 0.245 263 N C 1.128 176.633 175.510 -0.009 0.000 1.262 263 N CA -0.115 52.931 53.050 -0.007 0.000 0.910 263 N CB -0.404 38.080 38.487 -0.006 0.000 1.215 263 N HN 0.412 nan 8.380 nan 0.000 0.366 264 G N -1.215 107.579 108.800 -0.009 0.000 2.623 264 G HA2 0.131 4.065 3.960 -0.043 0.000 0.214 264 G HA3 0.131 4.065 3.960 -0.043 0.000 0.214 264 G C -0.231 174.661 174.900 -0.014 0.000 1.138 264 G CA 0.105 45.198 45.100 -0.011 0.000 0.794 264 G HN 0.395 nan 8.290 nan 0.000 0.535 265 S N -0.745 114.948 115.700 -0.012 0.000 2.532 265 S HA 0.697 5.141 4.470 -0.043 0.000 0.299 265 S C 0.003 174.594 174.600 -0.015 0.000 1.105 265 S CA -0.347 57.844 58.200 -0.014 0.000 1.018 265 S CB 1.962 65.158 63.200 -0.006 0.000 1.021 265 S HN 0.489 nan 8.310 nan 0.000 0.483 266 G N 1.343 110.126 108.800 -0.029 0.000 2.680 266 G HA2 0.745 4.679 3.960 -0.043 0.000 0.290 266 G HA3 0.745 4.679 3.960 -0.043 0.000 0.290 266 G C -1.614 173.242 174.900 -0.074 0.000 1.355 266 G CA -0.800 44.278 45.100 -0.036 0.000 0.903 266 G HN 0.513 nan 8.290 nan 0.000 0.474 267 R N -0.539 119.904 120.500 -0.095 0.000 2.561 267 R HA 0.645 4.959 4.340 -0.043 0.000 0.297 267 R C -1.574 174.653 176.300 -0.123 0.000 0.969 267 R CA -0.690 55.293 56.100 -0.196 0.000 0.879 267 R CB 1.681 31.746 30.300 -0.392 0.000 1.178 267 R HN 0.495 nan 8.270 nan 0.000 0.445 268 L N 5.250 126.407 121.223 -0.109 0.000 2.296 268 L HA 0.612 4.926 4.340 -0.043 0.000 0.286 268 L C -1.784 175.072 176.870 -0.025 0.000 1.023 268 L CA -0.389 54.426 54.840 -0.042 0.000 0.812 268 L CB 1.315 43.357 42.059 -0.029 0.000 1.223 268 L HN 0.619 nan 8.230 nan 0.000 0.421 269 L N 5.800 127.053 121.223 0.050 0.000 2.362 269 L HA 0.792 5.106 4.340 -0.043 0.000 0.271 269 L C -0.618 176.359 176.870 0.178 0.000 1.002 269 L CA -0.605 54.313 54.840 0.129 0.000 0.818 269 L CB 1.989 44.186 42.059 0.230 0.000 1.298 269 L HN 0.431 nan 8.230 nan 0.000 0.420 270 V N 1.597 121.549 119.914 0.064 0.000 2.925 270 V HA 0.972 5.066 4.120 -0.043 0.000 0.311 270 V C -1.248 174.640 176.094 -0.344 0.000 1.104 270 V CA -0.238 61.993 62.300 -0.114 0.000 0.954 270 V CB 2.021 33.802 31.823 -0.071 0.000 1.022 270 V HN 0.902 nan 8.190 nan 0.000 0.427 271 A N 4.633 127.039 122.820 -0.689 0.000 2.422 271 A HA 1.054 5.348 4.320 -0.043 0.000 0.302 271 A C -0.551 176.816 177.584 -0.361 0.000 1.041 271 A CA 0.003 51.701 52.037 -0.566 0.000 0.708 271 A CB 1.827 20.263 19.000 -0.940 0.000 1.257 271 A HN 2.201 nan 8.150 nan 0.000 0.414 272 A N 1.596 124.299 122.820 -0.195 0.000 2.587 272 A HA 0.843 5.137 4.320 -0.043 0.000 0.293 272 A C -0.674 176.863 177.584 -0.078 0.000 1.087 272 A CA -0.645 51.318 52.037 -0.123 0.000 0.692 272 A CB 1.275 20.221 19.000 -0.091 0.000 1.291 272 A HN 0.871 nan 8.150 nan 0.000 0.407 273 R N 0.402 120.869 120.500 -0.054 0.000 2.338 273 R HA 0.648 4.962 4.340 -0.043 0.000 0.317 273 R C -1.733 174.553 176.300 -0.023 0.000 0.968 273 R CA -0.506 55.574 56.100 -0.033 0.000 0.849 273 R CB 0.867 31.151 30.300 -0.028 0.000 1.128 273 R HN 0.550 nan 8.270 nan 0.000 0.448 274 L N 4.717 125.932 121.223 -0.013 0.000 2.324 274 L HA 0.377 4.691 4.340 -0.043 0.000 0.274 274 L C 0.921 177.791 176.870 0.000 0.000 1.012 274 L CA 0.355 55.191 54.840 -0.006 0.000 0.859 274 L CB 1.596 43.654 42.059 -0.001 0.000 1.224 274 L HN 0.996 nan 8.230 nan 0.000 0.429 275 G N 2.406 111.204 108.800 -0.003 0.000 2.629 275 G HA2 -0.444 3.490 3.960 -0.043 0.000 0.313 275 G HA3 -0.444 3.490 3.960 -0.043 0.000 0.313 275 G C 0.899 175.794 174.900 -0.009 0.000 1.217 275 G CA 0.831 45.929 45.100 -0.004 0.000 0.994 275 G HN 0.676 nan 8.290 nan 0.000 0.549 276 T N -1.997 112.550 114.554 -0.012 0.000 3.081 276 T HA 0.402 4.726 4.350 -0.043 0.000 0.250 276 T C 0.991 175.678 174.700 -0.023 0.000 1.100 276 T CA 1.526 63.611 62.100 -0.025 0.000 1.038 276 T CB 0.047 68.888 68.868 -0.046 0.000 0.962 276 T HN 0.733 nan 8.240 nan 0.000 0.516 277 T N 2.916 117.470 114.554 -0.000 0.000 2.728 277 T HA 0.384 4.708 4.350 -0.043 0.000 0.296 277 T C -0.186 174.519 174.700 0.009 0.000 0.940 277 T CA -0.551 61.562 62.100 0.022 0.000 1.013 277 T CB 1.149 70.058 68.868 0.068 0.000 0.912 277 T HN 0.253 nan 8.240 nan 0.000 0.484 278 R N 3.653 124.156 120.500 0.005 0.000 2.234 278 R HA 0.478 4.792 4.340 -0.043 0.000 0.324 278 R C -0.698 175.599 176.300 -0.004 0.000 1.054 278 R CA -0.401 55.691 56.100 -0.014 0.000 0.912 278 R CB 0.320 30.606 30.300 -0.023 0.000 1.030 278 R HN 0.574 nan 8.270 nan 0.000 0.455 279 L N 5.625 126.833 121.223 -0.026 0.000 2.334 279 L HA 0.561 4.875 4.340 -0.043 0.000 0.273 279 L C -0.525 176.317 176.870 -0.047 0.000 1.013 279 L CA -0.942 53.885 54.840 -0.021 0.000 0.816 279 L CB 1.633 43.679 42.059 -0.022 0.000 1.278 279 L HN 0.481 nan 8.230 nan 0.000 0.431 280 L N 1.494 122.705 121.223 -0.020 0.000 2.354 280 L HA 0.681 4.995 4.340 -0.043 0.000 0.264 280 L C -1.170 175.701 176.870 0.001 0.000 1.008 280 L CA -0.573 54.255 54.840 -0.020 0.000 0.819 280 L CB 2.310 44.396 42.059 0.044 0.000 1.339 280 L HN 0.538 nan 8.230 nan 0.000 0.420 281 D N 0.527 120.928 120.400 0.003 0.000 2.665 281 D HA 0.468 5.082 4.640 -0.043 0.000 0.287 281 D C -1.899 174.413 176.300 0.020 0.000 1.266 281 D CA -0.320 53.690 54.000 0.016 0.000 0.830 281 D CB 2.582 43.380 40.800 -0.003 0.000 1.356 281 D HN 0.702 nan 8.370 nan 0.000 0.437 282 N N -0.155 118.548 118.700 0.006 0.000 2.859 282 N HA 0.602 5.316 4.740 -0.043 0.000 0.250 282 N C -1.805 173.661 175.510 -0.074 0.000 1.341 282 N CA -0.749 52.278 53.050 -0.039 0.000 0.881 282 N CB 1.532 39.979 38.487 -0.066 0.000 1.516 282 N HN 0.428 nan 8.380 nan 0.000 0.503 283 I N -0.315 120.186 120.570 -0.116 0.000 3.006 283 I HA 0.762 4.906 4.170 -0.043 0.000 0.306 283 I C -0.896 175.130 176.117 -0.152 0.000 1.250 283 I CA -1.176 60.060 61.300 -0.106 0.000 0.996 283 I CB 2.126 40.096 38.000 -0.051 0.000 1.261 283 I HN 0.960 nan 8.210 nan 0.000 0.442 284 A N 6.405 129.150 122.820 -0.124 0.000 2.425 284 A HA 0.582 4.876 4.320 -0.043 0.000 0.249 284 A C -0.763 176.767 177.584 -0.091 0.000 1.084 284 A CA 0.082 52.051 52.037 -0.112 0.000 0.781 284 A CB 0.127 19.086 19.000 -0.069 0.000 1.019 284 A HN 0.448 nan 8.150 nan 0.000 0.490 285 I N 1.711 122.231 120.570 -0.082 0.000 2.499 285 I HA 0.320 4.464 4.170 -0.043 0.000 0.288 285 I C -0.601 175.481 176.117 -0.058 0.000 1.048 285 I CA -0.361 60.897 61.300 -0.071 0.000 1.062 285 I CB 1.789 39.754 38.000 -0.059 0.000 1.238 285 I HN 0.746 nan 8.210 nan 0.000 0.426 286 E N 5.868 126.032 120.200 -0.061 0.000 2.158 286 E HA 0.491 4.815 4.350 -0.043 0.000 0.271 286 E C -0.613 175.964 176.600 -0.040 0.000 0.911 286 E CA -0.545 55.827 56.400 -0.046 0.000 0.767 286 E CB 2.247 31.919 29.700 -0.047 0.000 1.120 286 E HN 0.261 nan 8.360 nan 0.000 0.405 287 I N 3.376 123.929 120.570 -0.028 0.000 2.342 287 I HA 0.331 4.475 4.170 -0.043 0.000 0.291 287 I C 1.364 177.471 176.117 -0.017 0.000 1.010 287 I CA 0.643 61.930 61.300 -0.021 0.000 1.308 287 I CB 0.124 38.115 38.000 -0.016 0.000 1.400 287 I HN 0.814 nan 8.210 nan 0.000 0.488 288 G N 5.608 114.399 108.800 -0.015 0.000 2.556 288 G HA2 -0.391 3.543 3.960 -0.043 0.000 0.283 288 G HA3 -0.391 3.543 3.960 -0.043 0.000 0.283 288 G C 0.956 175.850 174.900 -0.011 0.000 1.177 288 G CA 0.597 45.691 45.100 -0.010 0.000 0.978 288 G HN 0.661 nan 8.290 nan 0.000 0.554 289 T N 0.469 115.019 114.554 -0.008 0.000 2.946 289 T HA 0.271 4.595 4.350 -0.043 0.000 0.271 289 T C 1.643 176.337 174.700 -0.010 0.000 1.104 289 T CA 2.103 64.198 62.100 -0.007 0.000 1.114 289 T CB -1.018 67.847 68.868 -0.005 0.000 0.867 289 T HN 1.853 nan 8.240 nan 0.000 0.513 290 F N 0.000 119.942 119.950 -0.014 0.000 2.286 290 F HA 0.000 4.501 4.527 -0.043 0.000 0.279 290 F CA 0.000 57.989 58.000 -0.017 0.000 1.383 290 F CB 0.000 nan 39.000 nan 0.000 1.145 290 F HN 0.000 nan 8.300 nan 0.000 0.574