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 3ivx_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 0.000 176.093 176.117 -0.040 0.000 1.063 3 I CA 0.000 61.258 61.300 -0.070 0.000 1.566 3 I CB 0.000 37.960 38.000 -0.067 0.000 1.214 4 P HA 0.634 nan 4.420 nan 0.000 0.273 4 P C -0.561 176.779 177.300 0.066 0.000 1.250 4 P CA -0.677 62.440 63.100 0.029 0.000 0.793 4 P CB 0.497 32.232 31.700 0.058 0.000 1.011 5 A N 0.802 123.672 122.820 0.083 0.000 2.520 5 A HA 0.299 4.593 4.320 -0.044 0.000 0.245 5 A C -0.656 176.945 177.584 0.029 0.000 1.072 5 A CA 0.192 52.212 52.037 -0.027 0.000 0.761 5 A CB -0.922 18.019 19.000 -0.097 0.000 1.004 5 A HN 0.482 nan 8.150 nan 0.000 0.499 6 F N 4.319 124.123 119.950 -0.242 0.000 2.499 6 F HA 0.415 4.915 4.527 -0.044 0.000 0.333 6 F C -0.488 175.136 175.800 -0.293 0.000 1.138 6 F CA -0.715 57.189 58.000 -0.161 0.000 0.945 6 F CB 1.263 40.257 39.000 -0.009 0.000 1.181 6 F HN 0.627 nan 8.300 nan 0.000 0.435 7 H N 6.600 125.339 119.070 -0.552 0.000 2.641 7 H HA 0.307 4.836 4.556 -0.044 0.000 0.295 7 H C -2.487 172.336 175.328 -0.842 0.000 1.070 7 H CA -2.078 53.657 56.048 -0.521 0.000 1.257 7 H CB 0.818 30.421 29.762 -0.264 0.000 1.393 7 H HN 0.360 nan 8.280 nan 0.000 0.464 8 P HA -0.004 nan 4.420 nan 0.000 0.267 8 P C 1.187 178.370 177.300 -0.194 0.000 1.200 8 P CA 0.966 63.824 63.100 -0.404 0.000 0.772 8 P CB 0.639 32.284 31.700 -0.091 0.000 0.855 9 G N 0.611 109.346 108.800 -0.108 0.000 2.212 9 G HA2 -0.254 3.679 3.960 -0.044 0.000 0.266 9 G HA3 -0.254 3.679 3.960 -0.044 0.000 0.266 9 G C 0.033 174.894 174.900 -0.065 0.000 0.978 9 G CA 0.112 45.178 45.100 -0.057 0.000 0.632 9 G HN 0.573 nan 8.290 nan 0.000 0.537 10 E N -1.050 119.088 120.200 -0.104 0.000 2.281 10 E HA 0.649 4.973 4.350 -0.044 0.000 0.262 10 E C -0.677 175.887 176.600 -0.061 0.000 0.933 10 E CA -1.210 55.143 56.400 -0.078 0.000 0.809 10 E CB 1.882 31.532 29.700 -0.083 0.000 1.242 10 E HN 0.140 nan 8.360 nan 0.000 0.418 11 L N 2.707 123.907 121.223 -0.038 0.000 2.342 11 L HA 0.195 4.508 4.340 -0.044 0.000 0.285 11 L C -0.922 175.919 176.870 -0.049 0.000 1.095 11 L CA 0.100 54.927 54.840 -0.022 0.000 0.843 11 L CB -0.141 41.907 42.059 -0.018 0.000 1.201 11 L HN 0.346 nan 8.230 nan 0.000 0.445 12 N N 4.781 123.447 118.700 -0.055 0.000 2.422 12 N HA 0.313 5.026 4.740 -0.044 0.000 0.266 12 N C -1.180 174.110 175.510 -0.367 0.000 1.007 12 N CA -0.436 52.495 53.050 -0.198 0.000 0.941 12 N CB 2.144 40.568 38.487 -0.106 0.000 1.115 12 N HN 0.307 nan 8.380 nan 0.000 0.492 13 V N 3.615 123.277 119.914 -0.421 0.000 2.384 13 V HA 0.358 4.452 4.120 -0.044 0.000 0.287 13 V C -0.966 174.899 176.094 -0.382 0.000 1.020 13 V CA -0.645 61.488 62.300 -0.279 0.000 0.850 13 V CB 0.104 31.866 31.823 -0.101 0.000 0.987 13 V HN 0.477 nan 8.190 nan 0.000 0.436 14 Y N 1.973 122.368 120.300 0.157 0.000 2.364 14 Y HA 0.449 4.972 4.550 -0.046 0.000 0.340 14 Y C 1.212 177.257 175.900 0.241 0.000 0.975 14 Y CA -0.644 57.560 58.100 0.174 0.000 1.089 14 Y CB 2.310 40.862 38.460 0.154 0.000 1.192 14 Y HN 0.540 nan 8.280 nan 0.000 0.454 15 S N 1.105 116.989 115.700 0.306 0.000 2.468 15 S HA 0.207 4.651 4.470 -0.044 0.000 0.226 15 S C 0.832 175.581 174.600 0.248 0.000 1.051 15 S CA 0.169 58.486 58.200 0.195 0.000 0.943 15 S CB 0.143 63.402 63.200 0.097 0.000 0.810 15 S HN 0.696 nan 8.310 nan 0.000 0.509 16 A N 2.803 125.768 122.820 0.241 0.000 2.454 16 A HA 0.425 4.719 4.320 -0.044 0.000 0.260 16 A C -1.554 176.163 177.584 0.222 0.000 1.106 16 A CA -1.280 50.864 52.037 0.178 0.000 0.780 16 A CB 0.038 19.096 19.000 0.096 0.000 1.044 16 A HN 0.098 nan 8.150 nan 0.000 0.498 17 P HA -0.173 nan 4.420 nan 0.000 0.216 17 P C 1.730 178.954 177.300 -0.126 0.000 1.153 17 P CA 2.018 65.163 63.100 0.075 0.000 0.858 17 P CB 0.175 31.923 31.700 0.081 0.000 0.789 18 G N -0.586 108.170 108.800 -0.074 0.000 2.432 18 G HA2 -0.242 3.691 3.960 -0.044 0.000 0.219 18 G HA3 -0.242 3.691 3.960 -0.044 0.000 0.219 18 G C 1.235 176.037 174.900 -0.164 0.000 1.135 18 G CA 0.835 45.869 45.100 -0.110 0.000 0.767 18 G HN 0.179 nan 8.290 nan 0.000 0.550 19 D N -0.088 120.220 120.400 -0.154 0.000 2.084 19 D HA -0.096 4.517 4.640 -0.044 0.000 0.194 19 D C 2.590 178.573 176.300 -0.529 0.000 0.990 19 D CA 0.832 54.672 54.000 -0.266 0.000 0.826 19 D CB -0.636 40.088 40.800 -0.126 0.000 0.971 19 D HN 0.114 nan 8.370 nan 0.000 0.453 20 V N 0.581 120.178 119.914 -0.528 0.000 2.515 20 V HA -0.152 3.941 4.120 -0.044 0.000 0.250 20 V C 2.135 177.930 176.094 -0.499 0.000 1.058 20 V CA 1.878 63.796 62.300 -0.637 0.000 1.064 20 V CB -0.414 30.985 31.823 -0.706 0.000 0.675 20 V HN 0.190 nan 8.190 nan 0.000 0.461 21 A N -0.481 122.091 122.820 -0.413 0.000 1.902 21 A HA -0.229 4.064 4.320 -0.044 0.000 0.217 21 A C 1.963 179.393 177.584 -0.258 0.000 1.181 21 A CA 2.080 53.937 52.037 -0.300 0.000 0.623 21 A CB -0.633 18.229 19.000 -0.229 0.000 0.818 21 A HN 0.595 nan 8.150 nan 0.000 0.443 22 D N -0.440 119.802 120.400 -0.265 0.000 2.103 22 D HA -0.067 4.546 4.640 -0.044 0.000 0.199 22 D C 2.138 178.289 176.300 -0.248 0.000 0.978 22 D CA 1.365 55.234 54.000 -0.218 0.000 0.829 22 D CB -0.421 40.265 40.800 -0.190 0.000 0.981 22 D HN 0.192 nan 8.370 nan 0.000 0.464 23 V N 0.687 120.394 119.914 -0.346 0.000 2.295 23 V HA -0.228 3.866 4.120 -0.044 0.000 0.246 23 V C 2.582 178.464 176.094 -0.354 0.000 1.049 23 V CA 1.886 63.959 62.300 -0.379 0.000 1.024 23 V CB -0.674 30.836 31.823 -0.522 0.000 0.648 23 V HN 0.189 nan 8.190 nan 0.000 0.447 24 S N -0.190 115.315 115.700 -0.325 0.000 2.359 24 S HA -0.290 4.153 4.470 -0.044 0.000 0.224 24 S C 2.275 176.754 174.600 -0.202 0.000 1.035 24 S CA 2.150 60.196 58.200 -0.256 0.000 1.018 24 S CB -0.379 62.686 63.200 -0.226 0.000 0.876 24 S HN 0.569 nan 8.310 nan 0.000 0.448 25 R N 0.558 120.948 120.500 -0.182 0.000 2.075 25 R HA -0.024 4.290 4.340 -0.044 0.000 0.232 25 R C 2.388 178.612 176.300 -0.127 0.000 1.126 25 R CA 1.396 57.414 56.100 -0.136 0.000 0.963 25 R CB -0.822 29.405 30.300 -0.122 0.000 0.858 25 R HN 0.462 nan 8.270 nan 0.000 0.435 26 A N 1.560 124.291 122.820 -0.147 0.000 1.883 26 A HA -0.156 4.137 4.320 -0.044 0.000 0.217 26 A C 2.298 179.805 177.584 -0.129 0.000 1.186 26 A CA 1.372 53.334 52.037 -0.126 0.000 0.624 26 A CB -0.643 18.278 19.000 -0.132 0.000 0.822 26 A HN 0.361 nan 8.150 nan 0.000 0.444 27 L N -1.373 119.738 121.223 -0.187 0.000 2.012 27 L HA -0.200 4.113 4.340 -0.044 0.000 0.210 27 L C 2.832 179.638 176.870 -0.107 0.000 1.073 27 L CA 1.836 56.570 54.840 -0.176 0.000 0.748 27 L CB -0.416 41.480 42.059 -0.271 0.000 0.891 27 L HN 0.415 nan 8.230 nan 0.000 0.431 28 R N 0.156 120.594 120.500 -0.104 0.000 2.105 28 R HA -0.153 4.160 4.340 -0.044 0.000 0.239 28 R C 2.230 178.498 176.300 -0.053 0.000 1.135 28 R CA 1.223 57.281 56.100 -0.070 0.000 0.967 28 R CB -0.154 30.104 30.300 -0.070 0.000 0.861 28 R HN 0.328 nan 8.270 nan 0.000 0.442 29 L N -0.134 121.055 121.223 -0.058 0.000 2.376 29 L HA -0.063 4.250 4.340 -0.044 0.000 0.219 29 L C 1.991 178.842 176.870 -0.032 0.000 1.133 29 L CA 1.325 56.140 54.840 -0.043 0.000 0.816 29 L CB -0.191 41.840 42.059 -0.045 0.000 0.933 29 L HN 0.345 nan 8.230 nan 0.000 0.449 30 T N -3.956 110.578 114.554 -0.034 0.000 3.144 30 T HA 0.263 4.586 4.350 -0.044 0.000 0.249 30 T C 1.375 176.069 174.700 -0.011 0.000 1.089 30 T CA 0.441 62.530 62.100 -0.018 0.000 0.989 30 T CB 0.514 69.374 68.868 -0.012 0.000 0.992 30 T HN 0.445 nan 8.240 nan 0.000 0.540 31 G N 1.636 110.427 108.800 -0.016 0.000 2.195 31 G HA2 -0.215 3.718 3.960 -0.044 0.000 0.246 31 G HA3 -0.215 3.718 3.960 -0.044 0.000 0.246 31 G C 0.211 175.108 174.900 -0.006 0.000 0.984 31 G CA -0.409 44.686 45.100 -0.008 0.000 0.633 31 G HN 0.611 nan 8.290 nan 0.000 0.525 32 R N 0.563 121.055 120.500 -0.013 0.000 2.490 32 R HA 0.449 4.762 4.340 -0.044 0.000 0.280 32 R C 0.515 176.807 176.300 -0.014 0.000 1.077 32 R CA -0.267 55.828 56.100 -0.009 0.000 1.065 32 R CB 0.538 30.826 30.300 -0.020 0.000 1.003 32 R HN 0.351 nan 8.270 nan 0.000 0.470 33 R N 1.050 121.551 120.500 0.002 0.000 2.312 33 R HA 0.306 4.619 4.340 -0.044 0.000 0.311 33 R C -0.453 175.854 176.300 0.012 0.000 1.004 33 R CA -0.587 55.518 56.100 0.008 0.000 0.902 33 R CB 1.456 31.771 30.300 0.026 0.000 1.073 33 R HN 0.244 nan 8.270 nan 0.000 0.457 34 V N 5.297 125.213 119.914 0.003 0.000 2.407 34 V HA 0.289 4.383 4.120 -0.044 0.000 0.278 34 V C 0.113 176.238 176.094 0.051 0.000 1.037 34 V CA -0.351 61.950 62.300 0.001 0.000 0.900 34 V CB 1.417 33.218 31.823 -0.038 0.000 0.983 34 V HN 0.632 nan 8.190 nan 0.000 0.459 35 M N 5.894 125.540 119.600 0.077 0.000 2.294 35 M HA 0.532 4.985 4.480 -0.044 0.000 0.335 35 M C -0.910 175.469 176.300 0.132 0.000 1.079 35 M CA -0.812 54.594 55.300 0.177 0.000 0.982 35 M CB 1.496 34.179 32.600 0.138 0.000 1.651 35 M HN 0.494 nan 8.290 nan 0.000 0.437 36 L N 4.182 125.514 121.223 0.181 0.000 2.313 36 L HA 0.653 4.966 4.340 -0.044 0.000 0.283 36 L C -1.178 175.762 176.870 0.117 0.000 1.013 36 L CA -0.422 54.483 54.840 0.108 0.000 0.816 36 L CB 1.608 43.705 42.059 0.063 0.000 1.236 36 L HN 0.467 nan 8.230 nan 0.000 0.419 37 V N 6.925 126.870 119.914 0.052 0.000 2.304 37 V HA 0.452 4.545 4.120 -0.044 0.000 0.278 37 V C -2.272 173.825 176.094 0.005 0.000 1.018 37 V CA -1.334 60.967 62.300 0.002 0.000 0.814 37 V CB 1.090 32.912 31.823 -0.002 0.000 1.021 37 V HN 0.699 nan 8.190 nan 0.000 0.440 38 P HA 0.445 nan 4.420 nan 0.000 0.287 38 P C -0.247 177.126 177.300 0.122 0.000 1.281 38 P CA 0.028 63.167 63.100 0.065 0.000 0.781 38 P CB 1.232 32.995 31.700 0.105 0.000 0.903 39 T N -0.549 114.085 114.554 0.134 0.000 2.883 39 T HA 0.533 4.856 4.350 -0.044 0.000 0.296 39 T C 0.360 175.134 174.700 0.124 0.000 1.117 39 T CA -0.858 61.320 62.100 0.131 0.000 1.006 39 T CB 1.085 69.936 68.868 -0.028 0.000 1.191 39 T HN 0.150 nan 8.240 nan 0.000 0.508 40 M N 1.665 121.347 119.600 0.137 0.000 2.655 40 M HA 0.339 4.792 4.480 -0.044 0.000 0.311 40 M C 1.243 177.640 176.300 0.160 0.000 1.229 40 M CA 0.101 55.473 55.300 0.120 0.000 0.972 40 M CB -0.394 32.231 32.600 0.043 0.000 1.366 40 M HN 1.231 nan 8.290 nan 0.000 0.500 41 G N 1.461 110.276 108.800 0.026 0.000 2.601 41 G HA2 -0.138 3.795 3.960 -0.044 0.000 0.252 41 G HA3 -0.138 3.795 3.960 -0.044 0.000 0.252 41 G C 0.236 175.106 174.900 -0.051 0.000 1.294 41 G CA -0.024 45.053 45.100 -0.038 0.000 0.912 41 G HN 1.149 nan 8.290 nan 0.000 0.574 42 A N -2.158 120.648 122.820 -0.024 0.000 2.667 42 A HA -0.034 4.260 4.320 -0.044 0.000 0.298 42 A C 0.660 178.208 177.584 -0.059 0.000 1.483 42 A CA 1.697 53.726 52.037 -0.013 0.000 0.738 42 A CB -1.988 17.019 19.000 0.013 0.000 1.067 42 A HN 1.816 nan 8.150 nan 0.000 0.451 43 L N 1.253 122.385 121.223 -0.152 0.000 2.416 43 L HA 0.562 4.875 4.340 -0.044 0.000 0.272 43 L C 0.933 177.830 176.870 0.045 0.000 1.161 43 L CA -0.112 54.583 54.840 -0.242 0.000 0.845 43 L CB 0.445 42.368 42.059 -0.227 0.000 1.119 43 L HN 0.811 nan 8.230 nan 0.000 0.464 44 H N -0.733 118.562 119.070 0.374 0.000 2.896 44 H HA 0.313 4.842 4.556 -0.046 0.000 0.318 44 H C 0.403 175.825 175.328 0.156 0.000 1.409 44 H CA -1.044 55.120 56.048 0.193 0.000 1.328 44 H CB 0.514 30.355 29.762 0.132 0.000 1.940 44 H HN 0.410 nan 8.280 nan 0.000 0.665 45 E N 0.194 120.582 120.200 0.313 0.000 2.219 45 E HA -0.102 4.222 4.350 -0.044 0.000 0.198 45 E C 2.127 178.847 176.600 0.201 0.000 0.998 45 E CA 1.946 58.461 56.400 0.191 0.000 0.818 45 E CB -0.811 28.959 29.700 0.116 0.000 0.741 45 E HN 0.820 nan 8.360 nan 0.000 0.477 46 G N -0.940 108.088 108.800 0.379 0.000 2.421 46 G HA2 -0.293 3.640 3.960 -0.044 0.000 0.216 46 G HA3 -0.293 3.640 3.960 -0.044 0.000 0.216 46 G C 1.123 176.036 174.900 0.022 0.000 1.171 46 G CA 1.131 46.354 45.100 0.206 0.000 0.775 46 G HN 0.419 nan 8.290 nan 0.000 0.543 47 H N 0.313 119.375 119.070 -0.014 0.000 2.352 47 H HA 0.024 4.553 4.556 -0.045 0.000 0.299 47 H C 2.587 177.900 175.328 -0.025 0.000 1.097 47 H CA 1.274 57.280 56.048 -0.069 0.000 1.311 47 H CB -0.177 29.475 29.762 -0.183 0.000 1.377 47 H HN 0.260 nan 8.280 nan 0.000 0.504 48 L N -0.026 121.263 121.223 0.110 0.000 2.131 48 L HA -0.133 4.181 4.340 -0.044 0.000 0.210 48 L C 2.726 179.614 176.870 0.029 0.000 1.092 48 L CA 0.695 55.569 54.840 0.057 0.000 0.759 48 L CB -0.472 41.620 42.059 0.055 0.000 0.903 48 L HN 0.359 nan 8.230 nan 0.000 0.435 49 A N 0.423 123.269 122.820 0.043 0.000 1.933 49 A HA -0.126 4.167 4.320 -0.044 0.000 0.218 49 A C 2.265 179.853 177.584 0.007 0.000 1.175 49 A CA 1.260 53.316 52.037 0.030 0.000 0.628 49 A CB -0.552 18.480 19.000 0.052 0.000 0.814 49 A HN 0.357 nan 8.150 nan 0.000 0.444 50 L N -0.683 120.550 121.223 0.015 0.000 2.017 50 L HA -0.157 4.156 4.340 -0.044 0.000 0.208 50 L C 2.519 179.274 176.870 -0.191 0.000 1.073 50 L CA 1.193 56.020 54.840 -0.021 0.000 0.745 50 L CB -0.957 41.130 42.059 0.047 0.000 0.894 50 L HN 0.218 nan 8.230 nan 0.000 0.432 51 V N 0.218 120.060 119.914 -0.120 0.000 2.282 51 V HA -0.323 3.770 4.120 -0.044 0.000 0.249 51 V C 2.703 178.690 176.094 -0.179 0.000 1.057 51 V CA 1.957 64.166 62.300 -0.151 0.000 1.032 51 V CB -0.656 31.131 31.823 -0.060 0.000 0.645 51 V HN 0.420 nan 8.190 nan 0.000 0.447 52 R N -0.105 120.327 120.500 -0.112 0.000 2.096 52 R HA -0.106 4.208 4.340 -0.044 0.000 0.235 52 R C 2.416 178.642 176.300 -0.123 0.000 1.127 52 R CA 1.417 57.464 56.100 -0.088 0.000 0.968 52 R CB -0.605 29.674 30.300 -0.036 0.000 0.861 52 R HN 0.552 nan 8.270 nan 0.000 0.440 53 A N 1.155 123.877 122.820 -0.163 0.000 1.902 53 A HA -0.113 4.180 4.320 -0.044 0.000 0.217 53 A C 2.344 179.719 177.584 -0.348 0.000 1.181 53 A CA 1.704 53.651 52.037 -0.151 0.000 0.623 53 A CB -0.616 18.365 19.000 -0.032 0.000 0.818 53 A HN 0.400 nan 8.150 nan 0.000 0.443 54 A N -0.582 121.779 122.820 -0.766 0.000 1.898 54 A HA -0.094 4.199 4.320 -0.044 0.000 0.216 54 A C 2.113 179.531 177.584 -0.277 0.000 1.181 54 A CA 1.574 53.119 52.037 -0.820 0.000 0.620 54 A CB -0.382 18.061 19.000 -0.927 0.000 0.819 54 A HN 0.356 nan 8.150 nan 0.000 0.442 55 K N -0.061 120.219 120.400 -0.200 0.000 2.152 55 K HA -0.188 4.105 4.320 -0.044 0.000 0.206 55 K C 2.095 178.667 176.600 -0.047 0.000 1.048 55 K CA 1.680 57.914 56.287 -0.088 0.000 0.933 55 K CB -0.212 32.248 32.500 -0.066 0.000 0.721 55 K HN 0.756 nan 8.250 nan 0.000 0.447 56 R N 0.297 120.768 120.500 -0.048 0.000 2.299 56 R HA 0.056 4.370 4.340 -0.044 0.000 0.197 56 R C 0.314 176.626 176.300 0.020 0.000 0.971 56 R CA 0.078 56.174 56.100 -0.006 0.000 1.030 56 R CB -0.062 30.239 30.300 0.002 0.000 0.932 56 R HN -0.223 nan 8.270 nan 0.000 0.477 57 V N 4.138 124.070 119.914 0.030 0.000 2.479 57 V HA 0.142 4.235 4.120 -0.044 0.000 0.281 57 V C -2.032 174.087 176.094 0.041 0.000 1.031 57 V CA -1.586 60.751 62.300 0.062 0.000 1.038 57 V CB 0.935 32.826 31.823 0.113 0.000 0.981 57 V HN 0.204 nan 8.190 nan 0.000 0.478 58 P HA 0.196 nan 4.420 nan 0.000 0.264 58 P C 0.920 178.238 177.300 0.029 0.000 1.193 58 P CA 1.085 64.203 63.100 0.030 0.000 0.763 58 P CB 0.572 32.289 31.700 0.027 0.000 0.810 59 G N 1.991 110.807 108.800 0.027 0.000 2.155 59 G HA2 -0.256 3.677 3.960 -0.044 0.000 0.257 59 G HA3 -0.256 3.677 3.960 -0.044 0.000 0.257 59 G C 0.340 175.258 174.900 0.030 0.000 0.983 59 G CA 0.334 45.451 45.100 0.028 0.000 0.676 59 G HN 0.783 nan 8.290 nan 0.000 0.528 60 S N -1.272 114.446 115.700 0.031 0.000 2.576 60 S HA 0.603 5.047 4.470 -0.044 0.000 0.276 60 S C 0.280 174.901 174.600 0.034 0.000 1.339 60 S CA -0.012 58.207 58.200 0.031 0.000 1.039 60 S CB 2.534 65.750 63.200 0.028 0.000 0.902 60 S HN 1.579 nan 8.310 nan 0.000 0.516 61 V N 3.034 122.966 119.914 0.029 0.000 2.495 61 V HA 0.603 4.696 4.120 -0.044 0.000 0.298 61 V C -0.801 175.312 176.094 0.031 0.000 1.031 61 V CA -0.719 61.608 62.300 0.044 0.000 0.871 61 V CB 1.674 33.504 31.823 0.013 0.000 0.988 61 V HN 0.886 nan 8.190 nan 0.000 0.432 62 V N 7.250 127.190 119.914 0.043 0.000 2.394 62 V HA 0.456 4.550 4.120 -0.044 0.000 0.282 62 V C -0.142 175.983 176.094 0.051 0.000 1.031 62 V CA -0.482 61.830 62.300 0.020 0.000 0.881 62 V CB 1.684 33.493 31.823 -0.024 0.000 0.982 62 V HN 0.671 nan 8.190 nan 0.000 0.451 63 V N 6.012 125.955 119.914 0.049 0.000 2.370 63 V HA 0.405 4.499 4.120 -0.044 0.000 0.283 63 V C -0.074 176.070 176.094 0.084 0.000 1.023 63 V CA -0.528 61.819 62.300 0.078 0.000 0.857 63 V CB 1.746 33.601 31.823 0.053 0.000 0.985 63 V HN 0.599 nan 8.190 nan 0.000 0.443 64 V N 4.899 124.873 119.914 0.100 0.000 2.370 64 V HA 0.433 4.526 4.120 -0.044 0.000 0.283 64 V C 0.402 176.580 176.094 0.139 0.000 1.023 64 V CA -0.345 62.006 62.300 0.086 0.000 0.857 64 V CB 1.987 33.838 31.823 0.046 0.000 0.985 64 V HN 0.998 nan 8.190 nan 0.000 0.443 65 S N 6.174 121.966 115.700 0.153 0.000 2.525 65 S HA 0.762 5.206 4.470 -0.044 0.000 0.278 65 S C -0.678 173.982 174.600 0.100 0.000 1.234 65 S CA -0.594 57.714 58.200 0.180 0.000 1.058 65 S CB 1.118 64.473 63.200 0.260 0.000 0.983 65 S HN 0.509 nan 8.310 nan 0.000 0.495 66 I N 3.486 124.092 120.570 0.059 0.000 2.439 66 I HA 0.521 4.664 4.170 -0.044 0.000 0.283 66 I C -1.321 174.871 176.117 0.125 0.000 1.023 66 I CA -0.465 60.873 61.300 0.063 0.000 1.100 66 I CB 1.302 39.319 38.000 0.028 0.000 1.238 66 I HN 0.721 nan 8.210 nan 0.000 0.445 67 F N 6.907 126.833 119.950 -0.040 0.000 2.722 67 F HA 0.423 4.922 4.527 -0.046 0.000 0.336 67 F C -1.309 174.499 175.800 0.014 0.000 1.216 67 F CA -0.696 57.278 58.000 -0.044 0.000 1.065 67 F CB 1.350 40.299 39.000 -0.085 0.000 1.325 67 F HN -0.010 nan 8.300 nan 0.000 0.524 68 V N 5.519 125.137 119.914 -0.494 0.000 2.372 68 V HA 0.164 4.257 4.120 -0.044 0.000 0.261 68 V C -0.086 175.572 176.094 -0.726 0.000 1.055 68 V CA -0.468 61.569 62.300 -0.438 0.000 0.930 68 V CB 0.627 32.276 31.823 -0.288 0.000 1.031 68 V HN 0.653 nan 8.190 nan 0.000 0.479 69 N N 8.685 127.138 118.700 -0.410 0.000 2.415 69 N HA 0.264 4.977 4.740 -0.044 0.000 0.246 69 N C -1.029 174.503 175.510 0.037 0.000 1.078 69 N CA -1.961 50.913 53.050 -0.294 0.000 0.942 69 N CB 1.433 39.979 38.487 0.097 0.000 1.140 69 N HN 0.250 nan 8.380 nan 0.000 0.501 70 P HA -0.176 nan 4.420 nan 0.000 0.221 70 P C 1.211 178.561 177.300 0.082 0.000 1.145 70 P CA 1.038 64.147 63.100 0.016 0.000 0.795 70 P CB 0.217 31.864 31.700 -0.089 0.000 0.775 71 M N 0.056 119.651 119.600 -0.007 0.000 2.562 71 M HA -0.086 4.367 4.480 -0.044 0.000 0.257 71 M C 1.848 178.134 176.300 -0.023 0.000 1.099 71 M CA 1.246 56.506 55.300 -0.067 0.000 1.099 71 M CB -0.235 32.280 32.600 -0.142 0.000 1.427 71 M HN -0.038 nan 8.290 nan 0.000 0.489 72 Q N -0.907 118.878 119.800 -0.026 0.000 2.247 72 Q HA 0.146 4.460 4.340 -0.044 0.000 0.204 72 Q C -0.698 175.177 176.000 -0.208 0.000 0.872 72 Q CA -0.207 55.478 55.803 -0.197 0.000 0.951 72 Q CB 0.113 28.618 28.738 -0.388 0.000 1.099 72 Q HN 0.280 nan 8.270 nan 0.000 0.501 73 F N 0.401 120.342 119.950 -0.015 0.000 2.422 73 F HA 0.526 5.028 4.527 -0.043 0.000 0.333 73 F C 1.507 177.296 175.800 -0.020 0.000 1.095 73 F CA -0.442 57.551 58.000 -0.011 0.000 1.038 73 F CB 1.452 40.424 39.000 -0.047 0.000 1.156 73 F HN 0.019 nan 8.300 nan 0.000 0.483 74 G N 1.352 110.237 108.800 0.143 0.000 2.866 74 G HA2 0.177 4.110 3.960 -0.044 0.000 0.207 74 G HA3 0.177 4.110 3.960 -0.044 0.000 0.207 74 G C 0.867 175.807 174.900 0.067 0.000 1.402 74 G CA 1.409 46.551 45.100 0.070 0.000 0.830 74 G HN 0.854 nan 8.290 nan 0.000 0.644 75 A N -3.211 119.643 122.820 0.057 0.000 1.602 75 A HA 0.551 4.844 4.320 -0.044 0.000 0.198 75 A C 1.087 178.684 177.584 0.023 0.000 1.957 75 A CA 1.086 53.151 52.037 0.046 0.000 1.550 75 A CB -0.326 18.724 19.000 0.082 0.000 1.537 75 A HN 2.344 nan 8.150 nan 0.000 0.312 76 G N -1.129 107.680 108.800 0.016 0.000 3.391 76 G HA2 0.438 4.371 3.960 -0.044 0.000 0.683 76 G HA3 0.438 4.371 3.960 -0.044 0.000 0.683 76 G C 1.343 176.239 174.900 -0.006 0.000 1.071 76 G CA 0.809 45.908 45.100 -0.003 0.000 0.904 76 G HN 2.291 nan 8.290 nan 0.000 0.452 77 G N 1.749 110.535 108.800 -0.024 0.000 2.336 77 G HA2 -0.298 3.635 3.960 -0.044 0.000 0.233 77 G HA3 -0.298 3.635 3.960 -0.044 0.000 0.233 77 G C 1.114 175.994 174.900 -0.032 0.000 1.053 77 G CA 1.031 46.111 45.100 -0.033 0.000 0.625 77 G HN 1.118 nan 8.290 nan 0.000 0.511 78 D N 0.192 120.601 120.400 0.015 0.000 2.104 78 D HA -0.037 4.576 4.640 -0.044 0.000 0.194 78 D C 2.438 178.702 176.300 -0.059 0.000 0.994 78 D CA 1.436 55.495 54.000 0.098 0.000 0.830 78 D CB -0.257 40.707 40.800 0.274 0.000 0.959 78 D HN 0.397 nan 8.370 nan 0.000 0.452 79 L N 1.106 122.133 121.223 -0.328 0.000 1.970 79 L HA -0.179 4.135 4.340 -0.044 0.000 0.212 79 L C 1.443 178.076 176.870 -0.395 0.000 1.071 79 L CA 1.958 56.312 54.840 -0.809 0.000 0.751 79 L CB -0.839 40.877 42.059 -0.572 0.000 0.889 79 L HN -0.056 nan 8.230 nan 0.000 0.432 80 D N -0.267 120.010 120.400 -0.205 0.000 2.182 80 D HA -0.145 4.469 4.640 -0.044 0.000 0.201 80 D C 2.018 178.284 176.300 -0.058 0.000 0.986 80 D CA 1.506 55.439 54.000 -0.112 0.000 0.847 80 D CB -0.080 40.674 40.800 -0.076 0.000 0.942 80 D HN 0.536 nan 8.370 nan 0.000 0.467 81 A N -0.371 122.423 122.820 -0.042 0.000 2.123 81 A HA -0.076 4.218 4.320 -0.044 0.000 0.214 81 A C 0.733 178.354 177.584 0.061 0.000 1.152 81 A CA -0.182 51.849 52.037 -0.011 0.000 0.728 81 A CB -0.512 18.454 19.000 -0.057 0.000 0.814 81 A HN 0.189 nan 8.150 nan 0.000 0.464 82 Y N 2.398 122.675 120.300 -0.038 0.000 2.717 82 Y HA 0.183 4.706 4.550 -0.045 0.000 0.330 82 Y C -1.908 174.045 175.900 0.088 0.000 1.217 82 Y CA -1.925 56.212 58.100 0.061 0.000 1.506 82 Y CB 0.418 38.882 38.460 0.007 0.000 1.268 82 Y HN 0.181 nan 8.280 nan 0.000 0.561 83 P HA 0.116 nan 4.420 nan 0.000 0.267 83 P C -1.288 176.015 177.300 0.005 0.000 1.205 83 P CA 0.195 63.236 63.100 -0.100 0.000 0.765 83 P CB 0.586 32.172 31.700 -0.189 0.000 0.828 84 R N 1.700 122.222 120.500 0.037 0.000 2.435 84 R HA 0.464 4.777 4.340 -0.044 0.000 0.308 84 R C -0.097 176.216 176.300 0.023 0.000 0.975 84 R CA -0.408 55.725 56.100 0.055 0.000 0.867 84 R CB 1.429 31.762 30.300 0.056 0.000 1.171 84 R HN 0.464 nan 8.270 nan 0.000 0.470 85 T N -0.546 114.018 114.554 0.016 0.000 3.658 85 T HA 0.247 4.571 4.350 -0.044 0.000 0.245 85 T C -2.279 172.422 174.700 0.001 0.000 1.292 85 T CA -1.590 60.512 62.100 0.003 0.000 1.598 85 T CB 1.044 69.907 68.868 -0.007 0.000 0.861 85 T HN 0.152 nan 8.240 nan 0.000 0.663 86 P HA -0.123 nan 4.420 nan 0.000 0.216 86 P C 1.305 178.605 177.300 -0.001 0.000 1.153 86 P CA 1.189 64.291 63.100 0.004 0.000 0.858 86 P CB 0.175 31.880 31.700 0.008 0.000 0.789 87 D N -0.726 119.673 120.400 -0.001 0.000 2.084 87 D HA -0.140 4.474 4.640 -0.044 0.000 0.196 87 D C 1.460 177.757 176.300 -0.005 0.000 0.985 87 D CA 1.208 55.206 54.000 -0.003 0.000 0.826 87 D CB -0.610 40.189 40.800 -0.002 0.000 0.978 87 D HN 0.146 nan 8.370 nan 0.000 0.456 88 D N 1.128 121.525 120.400 -0.005 0.000 2.104 88 D HA -0.139 4.475 4.640 -0.044 0.000 0.194 88 D C 1.593 177.888 176.300 -0.009 0.000 0.994 88 D CA 0.895 54.892 54.000 -0.006 0.000 0.830 88 D CB -0.384 40.414 40.800 -0.004 0.000 0.959 88 D HN 0.146 nan 8.370 nan 0.000 0.452 89 D N 0.315 120.705 120.400 -0.016 0.000 2.103 89 D HA -0.141 4.472 4.640 -0.044 0.000 0.190 89 D C 2.350 178.639 176.300 -0.019 0.000 0.997 89 D CA 0.646 54.630 54.000 -0.028 0.000 0.833 89 D CB -0.537 40.243 40.800 -0.035 0.000 0.961 89 D HN 0.233 nan 8.370 nan 0.000 0.447 90 L N 0.526 121.742 121.223 -0.012 0.000 2.083 90 L HA -0.137 4.177 4.340 -0.044 0.000 0.209 90 L C 2.552 179.417 176.870 -0.008 0.000 1.083 90 L CA 0.980 55.815 54.840 -0.008 0.000 0.752 90 L CB -0.500 41.555 42.059 -0.007 0.000 0.899 90 L HN -0.015 nan 8.230 nan 0.000 0.433 91 A N -0.142 122.673 122.820 -0.008 0.000 1.883 91 A HA -0.260 4.033 4.320 -0.044 0.000 0.217 91 A C 2.249 179.830 177.584 -0.005 0.000 1.186 91 A CA 1.657 53.690 52.037 -0.007 0.000 0.624 91 A CB -0.512 18.485 19.000 -0.005 0.000 0.822 91 A HN 0.481 nan 8.150 nan 0.000 0.444 92 Q N -0.481 119.316 119.800 -0.004 0.000 2.084 92 Q HA -0.123 4.191 4.340 -0.044 0.000 0.202 92 Q C 2.158 178.157 176.000 -0.001 0.000 0.978 92 Q CA 1.426 57.229 55.803 -0.000 0.000 0.844 92 Q CB -0.366 28.372 28.738 0.001 0.000 0.898 92 Q HN 0.702 nan 8.270 nan 0.000 0.426 93 L N 0.130 121.350 121.223 -0.004 0.000 2.056 93 L HA -0.172 4.142 4.340 -0.044 0.000 0.207 93 L C 2.594 179.463 176.870 -0.001 0.000 1.078 93 L CA 1.091 55.930 54.840 -0.001 0.000 0.749 93 L CB -0.475 41.585 42.059 0.002 0.000 0.901 93 L HN 0.195 nan 8.230 nan 0.000 0.433 94 R N 0.209 120.706 120.500 -0.004 0.000 2.083 94 R HA -0.185 4.129 4.340 -0.044 0.000 0.237 94 R C 2.442 178.738 176.300 -0.006 0.000 1.137 94 R CA 1.534 57.629 56.100 -0.007 0.000 0.951 94 R CB -0.619 29.674 30.300 -0.011 0.000 0.851 94 R HN 0.364 nan 8.270 nan 0.000 0.434 95 A N 1.442 124.259 122.820 -0.004 0.000 1.917 95 A HA -0.185 4.109 4.320 -0.044 0.000 0.219 95 A C 1.788 179.371 177.584 -0.002 0.000 1.182 95 A CA 1.486 53.522 52.037 -0.002 0.000 0.633 95 A CB -0.264 18.737 19.000 0.001 0.000 0.819 95 A HN 0.213 nan 8.150 nan 0.000 0.448 96 E N -1.323 118.876 120.200 -0.001 0.000 2.502 96 E HA 0.146 4.470 4.350 -0.044 0.000 0.194 96 E C 1.244 177.842 176.600 -0.004 0.000 1.062 96 E CA 0.697 57.095 56.400 -0.003 0.000 0.867 96 E CB -0.303 29.395 29.700 -0.004 0.000 0.888 96 E HN 0.856 nan 8.360 nan 0.000 0.510 97 G N 1.173 109.972 108.800 -0.001 0.000 2.143 97 G HA2 -0.284 3.649 3.960 -0.044 0.000 0.248 97 G HA3 -0.284 3.649 3.960 -0.044 0.000 0.248 97 G C 0.445 175.351 174.900 0.011 0.000 0.991 97 G CA 0.351 45.452 45.100 0.002 0.000 0.689 97 G HN 0.186 nan 8.290 nan 0.000 0.522 98 V N 0.318 120.239 119.914 0.013 0.000 2.585 98 V HA 0.155 4.248 4.120 -0.044 0.000 0.296 98 V C 1.485 177.611 176.094 0.054 0.000 1.035 98 V CA 1.210 63.527 62.300 0.029 0.000 1.084 98 V CB 1.287 33.123 31.823 0.022 0.000 0.953 98 V HN 0.550 nan 8.190 nan 0.000 0.483 99 E N 4.011 124.272 120.200 0.102 0.000 2.400 99 E HA 0.267 4.590 4.350 -0.044 0.000 0.195 99 E C -0.163 176.581 176.600 0.240 0.000 1.012 99 E CA 0.439 56.938 56.400 0.165 0.000 0.875 99 E CB 0.484 30.351 29.700 0.279 0.000 0.859 99 E HN 0.605 nan 8.360 nan 0.000 0.498 100 I N 0.845 121.536 120.570 0.201 0.000 2.512 100 I HA 0.388 4.532 4.170 -0.044 0.000 0.287 100 I C -0.970 175.242 176.117 0.158 0.000 1.069 100 I CA -0.905 60.527 61.300 0.220 0.000 1.056 100 I CB 2.032 40.202 38.000 0.283 0.000 1.229 100 I HN -0.136 nan 8.210 nan 0.000 0.429 101 A N 5.952 128.851 122.820 0.132 0.000 2.330 101 A HA 0.758 5.051 4.320 -0.044 0.000 0.327 101 A C -1.330 176.413 177.584 0.265 0.000 1.155 101 A CA -0.342 51.783 52.037 0.147 0.000 0.803 101 A CB 1.068 20.110 19.000 0.071 0.000 1.208 101 A HN 0.540 nan 8.150 nan 0.000 0.477 102 F N 3.306 123.309 119.950 0.089 0.000 2.403 102 F HA 0.553 5.053 4.527 -0.046 0.000 0.355 102 F C 0.342 176.187 175.800 0.075 0.000 1.119 102 F CA -0.810 57.251 58.000 0.102 0.000 1.007 102 F CB 1.771 40.818 39.000 0.079 0.000 1.194 102 F HN 0.459 nan 8.300 nan 0.000 0.443 103 T N 5.225 119.688 114.554 -0.152 0.000 3.401 103 T HA 0.441 4.765 4.350 -0.044 0.000 0.341 103 T C -2.957 171.573 174.700 -0.283 0.000 1.674 103 T CA -1.805 60.179 62.100 -0.193 0.000 1.600 103 T CB 0.362 69.215 68.868 -0.025 0.000 0.974 103 T HN 0.348 nan 8.240 nan 0.000 0.672 104 P HA 0.237 nan 4.420 nan 0.000 0.274 104 P C 0.534 177.741 177.300 -0.155 0.000 1.231 104 P CA -0.027 62.788 63.100 -0.477 0.000 0.790 104 P CB 0.791 31.977 31.700 -0.857 0.000 0.951 105 T N -1.873 112.646 114.554 -0.057 0.000 2.868 105 T HA 0.114 4.437 4.350 -0.044 0.000 0.292 105 T C 1.376 176.168 174.700 0.154 0.000 1.028 105 T CA -0.089 62.057 62.100 0.076 0.000 1.059 105 T CB -0.408 68.493 68.868 0.055 0.000 0.991 105 T HN 0.316 nan 8.240 nan 0.000 0.531 106 T N 1.710 116.455 114.554 0.319 0.000 2.720 106 T HA -0.077 4.246 4.350 -0.044 0.000 0.268 106 T C 2.408 177.257 174.700 0.248 0.000 1.037 106 T CA 1.487 63.837 62.100 0.417 0.000 1.144 106 T CB -0.875 68.178 68.868 0.309 0.000 0.864 106 T HN 0.821 nan 8.240 nan 0.000 0.444 107 A N 1.444 124.352 122.820 0.146 0.000 1.908 107 A HA 0.060 4.353 4.320 -0.044 0.000 0.218 107 A C 2.619 180.232 177.584 0.049 0.000 1.181 107 A CA 1.963 54.059 52.037 0.098 0.000 0.627 107 A CB -1.056 17.985 19.000 0.068 0.000 0.818 107 A HN 0.530 nan 8.150 nan 0.000 0.445 108 A N -1.430 121.392 122.820 0.003 0.000 1.968 108 A HA -0.005 4.289 4.320 -0.044 0.000 0.217 108 A C 2.137 179.644 177.584 -0.128 0.000 1.169 108 A CA 1.716 53.726 52.037 -0.046 0.000 0.638 108 A CB -0.356 18.617 19.000 -0.045 0.000 0.812 108 A HN 0.435 nan 8.150 nan 0.000 0.446 109 M N -2.058 117.398 119.600 -0.239 0.000 2.287 109 M HA 0.084 4.537 4.480 -0.044 0.000 0.266 109 M C 0.020 175.980 176.300 -0.566 0.000 1.079 109 M CA 1.165 56.152 55.300 -0.523 0.000 1.146 109 M CB -0.660 31.393 32.600 -0.910 0.000 1.374 109 M HN 0.454 nan 8.290 nan 0.000 0.435 110 Y N 0.044 120.366 120.300 0.035 0.000 2.516 110 Y HA 0.283 4.806 4.550 -0.045 0.000 0.341 110 Y C -1.476 174.449 175.900 0.041 0.000 0.912 110 Y CA -2.253 55.880 58.100 0.054 0.000 1.167 110 Y CB -0.417 38.098 38.460 0.093 0.000 1.195 110 Y HN 0.142 nan 8.280 nan 0.000 0.610 111 P HA -0.112 nan 4.420 nan 0.000 0.225 111 P C 0.167 177.517 177.300 0.083 0.000 1.148 111 P CA 1.488 64.636 63.100 0.079 0.000 0.779 111 P CB 0.565 32.288 31.700 0.039 0.000 0.780 112 D N -0.641 119.818 120.400 0.099 0.000 2.462 112 D HA 0.218 4.832 4.640 -0.044 0.000 0.221 112 D C 1.336 177.691 176.300 0.091 0.000 1.173 112 D CA 0.391 54.439 54.000 0.080 0.000 0.831 112 D CB 0.790 41.628 40.800 0.063 0.000 1.001 112 D HN 0.107 nan 8.370 nan 0.000 0.499 113 G N 1.569 110.443 108.800 0.123 0.000 2.575 113 G HA2 -0.307 3.627 3.960 -0.044 0.000 0.267 113 G HA3 -0.307 3.627 3.960 -0.044 0.000 0.267 113 G C -0.224 174.733 174.900 0.095 0.000 1.264 113 G CA -0.624 44.529 45.100 0.090 0.000 0.935 113 G HN 0.300 nan 8.290 nan 0.000 0.568 114 L N 1.347 122.581 121.223 0.018 0.000 2.315 114 L HA 0.560 4.873 4.340 -0.044 0.000 0.283 114 L C 1.294 178.192 176.870 0.047 0.000 1.089 114 L CA 0.058 54.911 54.840 0.021 0.000 0.833 114 L CB 1.218 43.258 42.059 -0.031 0.000 1.170 114 L HN 0.849 nan 8.230 nan 0.000 0.442 115 R N 1.316 121.859 120.500 0.073 0.000 2.588 115 R HA 0.275 4.588 4.340 -0.044 0.000 0.115 115 R C -0.217 176.116 176.300 0.054 0.000 1.578 115 R CA -0.305 55.828 56.100 0.055 0.000 1.329 115 R CB 0.507 30.840 30.300 0.055 0.000 1.152 115 R HN 0.486 nan 8.270 nan 0.000 0.437 116 T N 1.971 116.559 114.554 0.056 0.000 2.901 116 T HA 0.286 4.610 4.350 -0.044 0.000 0.301 116 T C -0.178 174.565 174.700 0.071 0.000 1.012 116 T CA 0.056 62.184 62.100 0.047 0.000 1.135 116 T CB 1.152 70.037 68.868 0.027 0.000 0.936 116 T HN 0.575 nan 8.240 nan 0.000 0.539 117 T N -1.209 113.387 114.554 0.071 0.000 2.865 117 T HA 0.611 4.935 4.350 -0.044 0.000 0.294 117 T C -0.423 174.345 174.700 0.113 0.000 1.119 117 T CA -0.918 61.240 62.100 0.096 0.000 1.007 117 T CB 0.899 69.817 68.868 0.083 0.000 1.225 117 T HN 0.268 nan 8.240 nan 0.000 0.515 118 V N 1.902 121.903 119.914 0.143 0.000 2.530 118 V HA 0.416 4.510 4.120 -0.044 0.000 0.282 118 V C 0.207 176.373 176.094 0.121 0.000 1.048 118 V CA -0.365 62.048 62.300 0.187 0.000 0.997 118 V CB 0.904 32.853 31.823 0.209 0.000 0.987 118 V HN 0.977 nan 8.190 nan 0.000 0.477 119 Q N 6.968 126.841 119.800 0.122 0.000 2.430 119 Q HA 0.447 4.760 4.340 -0.044 0.000 0.245 119 Q C -2.482 173.538 176.000 0.033 0.000 1.021 119 Q CA -1.325 54.521 55.803 0.072 0.000 0.867 119 Q CB 1.312 30.092 28.738 0.070 0.000 1.210 119 Q HN 0.561 nan 8.270 nan 0.000 0.487 120 P HA 0.207 nan 4.420 nan 0.000 0.272 120 P C 0.045 177.318 177.300 -0.045 0.000 1.240 120 P CA -0.308 62.765 63.100 -0.046 0.000 0.791 120 P CB 0.607 32.291 31.700 -0.028 0.000 0.978 121 G N 0.843 109.593 108.800 -0.084 0.000 2.631 121 G HA2 0.134 4.068 3.960 -0.044 0.000 0.271 121 G HA3 0.134 4.068 3.960 -0.044 0.000 0.271 121 G C -1.585 173.282 174.900 -0.054 0.000 1.302 121 G CA -0.731 44.328 45.100 -0.068 0.000 1.002 121 G HN 0.325 nan 8.290 nan 0.000 0.519 122 P HA -0.076 nan 4.420 nan 0.000 0.222 122 P C 2.007 179.280 177.300 -0.045 0.000 1.147 122 P CA 0.075 63.154 63.100 -0.034 0.000 0.790 122 P CB 0.093 31.773 31.700 -0.033 0.000 0.780 123 L N 0.134 121.309 121.223 -0.080 0.000 2.129 123 L HA -0.156 4.158 4.340 -0.044 0.000 0.212 123 L C 2.034 178.845 176.870 -0.099 0.000 1.087 123 L CA 1.927 56.700 54.840 -0.111 0.000 0.757 123 L CB -1.407 40.551 42.059 -0.169 0.000 0.896 123 L HN -0.082 nan 8.230 nan 0.000 0.434 124 A N -1.074 121.710 122.820 -0.061 0.000 2.172 124 A HA 0.176 4.469 4.320 -0.044 0.000 0.216 124 A C 2.169 179.872 177.584 0.199 0.000 1.154 124 A CA 1.088 53.182 52.037 0.096 0.000 0.701 124 A CB -0.789 18.299 19.000 0.146 0.000 0.789 124 A HN 0.528 nan 8.150 nan 0.000 0.465 125 A N -0.788 122.082 122.820 0.083 0.000 2.308 125 A HA 0.331 4.625 4.320 -0.044 0.000 0.217 125 A C 0.587 178.199 177.584 0.047 0.000 1.216 125 A CA -0.072 52.006 52.037 0.069 0.000 0.864 125 A CB 0.076 19.096 19.000 0.033 0.000 0.902 125 A HN 0.545 nan 8.150 nan 0.000 0.499 126 E N -1.085 119.137 120.200 0.037 0.000 2.249 126 E HA 0.632 4.955 4.350 -0.044 0.000 0.263 126 E C 0.169 176.758 176.600 -0.019 0.000 0.950 126 E CA -0.756 55.634 56.400 -0.016 0.000 0.827 126 E CB 1.307 30.972 29.700 -0.057 0.000 1.220 126 E HN 0.196 nan 8.360 nan 0.000 0.411 127 L N -0.035 121.098 121.223 -0.150 0.000 5.531 127 L HA -0.427 3.887 4.340 -0.044 0.000 0.053 127 L C 1.685 178.553 176.870 -0.003 0.000 2.831 127 L CA 1.294 55.940 54.840 -0.323 0.000 1.552 127 L CB -1.074 40.773 42.059 -0.353 0.000 2.889 127 L HN 0.635 nan 8.230 nan 0.000 0.964 128 E N 0.476 120.791 120.200 0.191 0.000 2.204 128 E HA -0.111 4.212 4.350 -0.044 0.000 0.195 128 E C 1.812 178.486 176.600 0.124 0.000 0.990 128 E CA 1.473 58.013 56.400 0.233 0.000 0.821 128 E CB -0.313 29.570 29.700 0.304 0.000 0.750 128 E HN 0.737 nan 8.360 nan 0.000 0.477 129 G N 0.224 109.178 108.800 0.256 0.000 2.880 129 G HA2 0.007 3.940 3.960 -0.044 0.000 0.209 129 G HA3 0.007 3.940 3.960 -0.044 0.000 0.209 129 G C 1.519 176.474 174.900 0.091 0.000 1.157 129 G CA 0.475 45.687 45.100 0.185 0.000 0.779 129 G HN 0.346 nan 8.290 nan 0.000 0.539 130 G N 2.009 110.849 108.800 0.068 0.000 2.514 130 G HA2 -0.169 3.764 3.960 -0.044 0.000 0.217 130 G HA3 -0.169 3.764 3.960 -0.044 0.000 0.217 130 G C 0.023 174.939 174.900 0.027 0.000 1.198 130 G CA 1.244 46.366 45.100 0.036 0.000 0.780 130 G HN 0.458 nan 8.290 nan 0.000 0.565 131 P HA 0.210 nan 4.420 nan 0.000 0.255 131 P C 0.402 177.695 177.300 -0.011 0.000 1.248 131 P CA 0.322 63.427 63.100 0.007 0.000 0.807 131 P CB 0.530 32.236 31.700 0.009 0.000 1.150 132 R N 0.230 120.719 120.500 -0.019 0.000 2.629 132 R HA 0.217 4.530 4.340 -0.044 0.000 0.277 132 R C -1.835 174.461 176.300 -0.006 0.000 1.637 132 R CA -1.268 54.807 56.100 -0.042 0.000 1.663 132 R CB 0.811 31.030 30.300 -0.135 0.000 1.228 132 R HN 0.023 nan 8.270 nan 0.000 0.632 133 P HA -0.157 nan 4.420 nan 0.000 0.222 133 P C 0.950 178.273 177.300 0.038 0.000 1.147 133 P CA 1.408 64.527 63.100 0.033 0.000 0.790 133 P CB 0.333 32.047 31.700 0.024 0.000 0.780 134 T N -6.032 108.535 114.554 0.021 0.000 3.054 134 T HA 0.076 4.399 4.350 -0.044 0.000 0.255 134 T C 1.623 176.309 174.700 -0.023 0.000 1.035 134 T CA -0.020 62.087 62.100 0.012 0.000 0.941 134 T CB -0.920 67.951 68.868 0.005 0.000 1.026 134 T HN 0.040 nan 8.240 nan 0.000 0.533 135 H N 1.356 120.331 119.070 -0.159 0.000 2.265 135 H HA -0.037 4.492 4.556 -0.045 0.000 0.295 135 H C 1.272 176.424 175.328 -0.293 0.000 1.084 135 H CA 1.966 57.827 56.048 -0.312 0.000 1.261 135 H CB -0.628 28.812 29.762 -0.537 0.000 1.360 135 H HN 0.391 nan 8.280 nan 0.000 0.487 136 F N 0.266 120.100 119.950 -0.193 0.000 2.325 136 F HA 0.103 4.606 4.527 -0.041 0.000 0.299 136 F C 2.741 178.446 175.800 -0.159 0.000 1.090 136 F CA 0.833 58.690 58.000 -0.238 0.000 1.392 136 F CB -0.970 37.973 39.000 -0.094 0.000 1.053 136 F HN 0.370 nan 8.300 nan 0.000 0.521 137 A N 0.432 123.292 122.820 0.067 0.000 1.908 137 A HA -0.111 4.183 4.320 -0.044 0.000 0.218 137 A C 2.623 180.217 177.584 0.016 0.000 1.181 137 A CA 1.902 53.966 52.037 0.045 0.000 0.627 137 A CB -1.545 17.479 19.000 0.041 0.000 0.818 137 A HN 0.395 nan 8.150 nan 0.000 0.445 138 G N -0.728 108.041 108.800 -0.052 0.000 2.418 138 G HA2 -0.086 3.847 3.960 -0.044 0.000 0.217 138 G HA3 -0.086 3.847 3.960 -0.044 0.000 0.217 138 G C 1.514 176.397 174.900 -0.028 0.000 1.158 138 G CA 1.223 46.294 45.100 -0.048 0.000 0.771 138 G HN 0.322 nan 8.290 nan 0.000 0.545 139 V N 1.027 120.865 119.914 -0.127 0.000 2.270 139 V HA -0.095 3.998 4.120 -0.044 0.000 0.245 139 V C 2.899 179.019 176.094 0.044 0.000 1.043 139 V CA 1.346 63.614 62.300 -0.054 0.000 1.014 139 V CB -0.457 31.322 31.823 -0.073 0.000 0.645 139 V HN 0.314 nan 8.190 nan 0.000 0.447 140 L N -0.277 120.971 121.223 0.040 0.000 2.083 140 L HA -0.168 4.145 4.340 -0.044 0.000 0.209 140 L C 2.604 179.533 176.870 0.099 0.000 1.083 140 L CA 1.933 56.799 54.840 0.043 0.000 0.752 140 L CB -1.171 40.893 42.059 0.008 0.000 0.899 140 L HN 0.407 nan 8.230 nan 0.000 0.433 141 T N -0.541 114.084 114.554 0.119 0.000 2.708 141 T HA -0.183 4.141 4.350 -0.044 0.000 0.266 141 T C 1.946 176.753 174.700 0.178 0.000 1.037 141 T CA 1.330 63.527 62.100 0.161 0.000 1.146 141 T CB -0.279 68.697 68.868 0.180 0.000 0.865 141 T HN 0.105 nan 8.240 nan 0.000 0.435 142 V N 1.174 121.213 119.914 0.208 0.000 2.358 142 V HA -0.128 3.966 4.120 -0.044 0.000 0.246 142 V C 2.524 178.724 176.094 0.176 0.000 1.047 142 V CA 1.413 63.846 62.300 0.222 0.000 1.035 142 V CB -0.394 31.631 31.823 0.337 0.000 0.658 142 V HN 0.331 nan 8.190 nan 0.000 0.452 143 V N -0.102 119.917 119.914 0.174 0.000 2.407 143 V HA -0.216 3.877 4.120 -0.044 0.000 0.248 143 V C 2.414 178.600 176.094 0.154 0.000 1.055 143 V CA 2.062 64.476 62.300 0.190 0.000 1.049 143 V CB -0.653 31.279 31.823 0.183 0.000 0.662 143 V HN 0.576 nan 8.190 nan 0.000 0.455 144 L N 0.331 121.636 121.223 0.137 0.000 2.012 144 L HA -0.187 4.126 4.340 -0.044 0.000 0.210 144 L C 2.377 179.303 176.870 0.093 0.000 1.073 144 L CA 2.013 56.933 54.840 0.133 0.000 0.748 144 L CB -0.764 41.397 42.059 0.170 0.000 0.891 144 L HN 0.237 nan 8.230 nan 0.000 0.431 145 K N -0.734 119.712 120.400 0.077 0.000 2.026 145 K HA -0.143 4.150 4.320 -0.044 0.000 0.208 145 K C 2.082 178.705 176.600 0.038 0.000 1.048 145 K CA 1.772 58.075 56.287 0.028 0.000 0.929 145 K CB -0.410 32.073 32.500 -0.028 0.000 0.713 145 K HN 0.318 nan 8.250 nan 0.000 0.439 146 L N 0.995 122.267 121.223 0.082 0.000 2.042 146 L HA -0.226 4.087 4.340 -0.044 0.000 0.210 146 L C 2.383 179.295 176.870 0.071 0.000 1.076 146 L CA 1.168 56.079 54.840 0.120 0.000 0.749 146 L CB -0.540 41.624 42.059 0.174 0.000 0.893 146 L HN 0.196 nan 8.230 nan 0.000 0.432 147 L N -0.908 120.362 121.223 0.077 0.000 2.046 147 L HA -0.206 4.107 4.340 -0.044 0.000 0.208 147 L C 2.876 179.755 176.870 0.014 0.000 1.077 147 L CA 1.042 55.915 54.840 0.055 0.000 0.747 147 L CB -0.480 41.627 42.059 0.080 0.000 0.896 147 L HN 0.350 nan 8.230 nan 0.000 0.432 148 Q N -0.237 119.570 119.800 0.012 0.000 2.119 148 Q HA -0.113 4.200 4.340 -0.044 0.000 0.201 148 Q C 2.265 178.233 176.000 -0.054 0.000 0.972 148 Q CA 1.454 57.246 55.803 -0.017 0.000 0.847 148 Q CB -0.132 28.598 28.738 -0.014 0.000 0.903 148 Q HN 0.561 nan 8.270 nan 0.000 0.433 149 I N -0.386 120.144 120.570 -0.066 0.000 2.233 149 I HA -0.198 3.946 4.170 -0.044 0.000 0.243 149 I C 2.123 178.125 176.117 -0.192 0.000 1.093 149 I CA 0.791 62.010 61.300 -0.136 0.000 1.380 149 I CB -0.028 37.883 38.000 -0.148 0.000 1.067 149 I HN -0.063 nan 8.210 nan 0.000 0.413 150 V N -0.514 119.304 119.914 -0.161 0.000 2.878 150 V HA 0.048 4.141 4.120 -0.044 0.000 0.250 150 V C 0.828 176.854 176.094 -0.114 0.000 1.075 150 V CA 0.229 62.425 62.300 -0.174 0.000 1.096 150 V CB -0.525 31.223 31.823 -0.126 0.000 0.724 150 V HN 0.394 nan 8.190 nan 0.000 0.467 151 R N -0.491 119.965 120.500 -0.074 0.000 3.188 151 R HA -0.141 4.172 4.340 -0.044 0.000 0.247 151 R C -2.358 173.918 176.300 -0.040 0.000 0.918 151 R CA 0.515 56.585 56.100 -0.051 0.000 0.629 151 R CB -2.193 28.069 30.300 -0.062 0.000 1.087 151 R HN 0.437 nan 8.270 nan 0.000 0.462 152 P HA 0.078 nan 4.420 nan 0.000 0.274 152 P C 0.429 177.730 177.300 0.002 0.000 1.231 152 P CA -0.285 62.814 63.100 -0.002 0.000 0.790 152 P CB 0.686 32.401 31.700 0.025 0.000 0.951 153 D N 1.083 121.490 120.400 0.011 0.000 2.149 153 D HA -0.043 4.570 4.640 -0.044 0.000 0.201 153 D C 0.596 176.894 176.300 -0.003 0.000 0.972 153 D CA 1.377 55.382 54.000 0.008 0.000 0.835 153 D CB 0.423 41.234 40.800 0.018 0.000 0.966 153 D HN 0.400 nan 8.370 nan 0.000 0.476 154 R N -0.167 120.339 120.500 0.011 0.000 2.725 154 R HA 0.563 4.876 4.340 -0.044 0.000 0.277 154 R C -1.318 174.926 176.300 -0.093 0.000 0.987 154 R CA -0.598 55.445 56.100 -0.096 0.000 0.901 154 R CB 3.305 33.526 30.300 -0.131 0.000 1.207 154 R HN -0.166 nan 8.270 nan 0.000 0.463 155 V N 3.335 123.095 119.914 -0.256 0.000 2.735 155 V HA 0.618 4.711 4.120 -0.044 0.000 0.310 155 V C -1.598 174.216 176.094 -0.467 0.000 1.061 155 V CA -0.640 61.545 62.300 -0.192 0.000 0.913 155 V CB 1.668 33.463 31.823 -0.047 0.000 1.005 155 V HN 0.566 nan 8.190 nan 0.000 0.428 156 F N 6.358 126.117 119.950 -0.319 0.000 2.482 156 F HA 0.751 5.292 4.527 0.023 0.000 0.331 156 F C -0.453 175.048 175.800 -0.499 0.000 1.115 156 F CA -0.536 57.320 58.000 -0.239 0.000 0.955 156 F CB 1.714 40.641 39.000 -0.121 0.000 1.136 156 F HN 0.328 nan 8.300 nan 0.000 0.452 157 F N 0.477 120.524 119.950 0.161 0.000 2.576 157 F HA 0.664 5.152 4.527 -0.065 0.000 0.313 157 F C 0.553 176.424 175.800 0.119 0.000 1.078 157 F CA -1.336 56.740 58.000 0.127 0.000 0.921 157 F CB 1.778 40.816 39.000 0.063 0.000 1.232 157 F HN 0.536 nan 8.300 nan 0.000 0.459 158 G N 0.594 109.577 108.800 0.304 0.000 2.503 158 G HA2 0.257 4.190 3.960 -0.044 0.000 0.257 158 G HA3 0.257 4.190 3.960 -0.044 0.000 0.257 158 G C 0.304 175.327 174.900 0.205 0.000 1.214 158 G CA -0.369 44.857 45.100 0.209 0.000 0.839 158 G HN 0.832 nan 8.290 nan 0.000 0.559 159 E N 0.433 120.744 120.200 0.185 0.000 2.418 159 E HA -0.085 4.238 4.350 -0.044 0.000 0.197 159 E C 2.069 178.807 176.600 0.229 0.000 1.026 159 E CA 0.204 56.739 56.400 0.226 0.000 0.862 159 E CB 0.207 30.044 29.700 0.228 0.000 0.799 159 E HN 0.608 nan 8.360 nan 0.000 0.518 160 K N 1.249 121.751 120.400 0.170 0.000 2.009 160 K HA -0.133 4.161 4.320 -0.044 0.000 0.210 160 K C 0.277 176.984 176.600 0.178 0.000 1.049 160 K CA 1.100 57.475 56.287 0.145 0.000 0.929 160 K CB 0.121 32.688 32.500 0.111 0.000 0.714 160 K HN 0.020 nan 8.250 nan 0.000 0.440 161 D N 0.713 121.226 120.400 0.189 0.000 2.558 161 D HA -0.034 4.579 4.640 -0.044 0.000 0.221 161 D C 0.241 176.645 176.300 0.175 0.000 1.143 161 D CA 0.006 54.125 54.000 0.199 0.000 1.010 161 D CB 0.344 41.267 40.800 0.206 0.000 1.068 161 D HN 0.247 nan 8.370 nan 0.000 0.511 162 Y N 1.894 122.232 120.300 0.064 0.000 2.163 162 Y HA -0.236 4.288 4.550 -0.042 0.000 0.288 162 Y C 2.507 178.384 175.900 -0.038 0.000 1.136 162 Y CA 1.728 59.838 58.100 0.017 0.000 1.147 162 Y CB 0.239 38.712 38.460 0.022 0.000 0.987 162 Y HN 0.215 nan 8.280 nan 0.000 0.509 163 Q N 0.100 119.951 119.800 0.085 0.000 2.061 163 Q HA -0.343 3.971 4.340 -0.044 0.000 0.204 163 Q C 2.420 178.212 176.000 -0.347 0.000 0.984 163 Q CA 2.212 57.937 55.803 -0.130 0.000 0.846 163 Q CB -0.315 28.393 28.738 -0.050 0.000 0.902 163 Q HN 0.691 nan 8.270 nan 0.000 0.421 164 Q N -0.080 119.612 119.800 -0.179 0.000 2.096 164 Q HA -0.222 4.091 4.340 -0.044 0.000 0.204 164 Q C 2.135 177.928 176.000 -0.345 0.000 0.982 164 Q CA 1.577 57.260 55.803 -0.201 0.000 0.850 164 Q CB -0.184 28.625 28.738 0.117 0.000 0.901 164 Q HN 0.455 nan 8.270 nan 0.000 0.422 165 L N 0.091 121.116 121.223 -0.331 0.000 2.046 165 L HA -0.130 4.183 4.340 -0.044 0.000 0.208 165 L C 2.176 178.788 176.870 -0.431 0.000 1.077 165 L CA 1.463 56.058 54.840 -0.408 0.000 0.747 165 L CB -0.639 41.237 42.059 -0.304 0.000 0.896 165 L HN 0.117 nan 8.230 nan 0.000 0.432 166 V N -0.252 119.374 119.914 -0.481 0.000 2.343 166 V HA -0.313 3.780 4.120 -0.044 0.000 0.247 166 V C 2.625 178.511 176.094 -0.347 0.000 1.051 166 V CA 2.076 64.128 62.300 -0.414 0.000 1.036 166 V CB -0.617 30.958 31.823 -0.413 0.000 0.654 166 V HN 0.450 nan 8.190 nan 0.000 0.451 167 L N -0.822 120.165 121.223 -0.394 0.000 2.083 167 L HA -0.185 4.129 4.340 -0.044 0.000 0.209 167 L C 2.322 179.000 176.870 -0.321 0.000 1.083 167 L CA 1.620 56.237 54.840 -0.372 0.000 0.752 167 L CB -0.413 41.351 42.059 -0.491 0.000 0.899 167 L HN 0.282 nan 8.230 nan 0.000 0.433 168 I N -0.814 119.543 120.570 -0.356 0.000 2.315 168 I HA -0.258 3.885 4.170 -0.044 0.000 0.248 168 I C 2.684 178.653 176.117 -0.246 0.000 1.117 168 I CA 1.053 62.154 61.300 -0.331 0.000 1.404 168 I CB -0.239 37.429 38.000 -0.554 0.000 1.071 168 I HN 0.167 nan 8.210 nan 0.000 0.419 169 R N 0.369 120.723 120.500 -0.245 0.000 2.096 169 R HA -0.186 4.127 4.340 -0.044 0.000 0.235 169 R C 2.296 178.490 176.300 -0.176 0.000 1.127 169 R CA 1.330 57.322 56.100 -0.180 0.000 0.968 169 R CB -0.288 29.905 30.300 -0.177 0.000 0.861 169 R HN 0.507 nan 8.270 nan 0.000 0.440 170 Q N 0.414 120.087 119.800 -0.211 0.000 2.050 170 Q HA -0.181 4.132 4.340 -0.044 0.000 0.202 170 Q C 2.214 178.055 176.000 -0.265 0.000 0.980 170 Q CA 1.233 56.907 55.803 -0.215 0.000 0.840 170 Q CB -0.235 28.369 28.738 -0.224 0.000 0.898 170 Q HN 0.196 nan 8.270 nan 0.000 0.424 171 L N 0.426 121.472 121.223 -0.296 0.000 2.013 171 L HA -0.190 4.123 4.340 -0.044 0.000 0.212 171 L C 2.148 178.857 176.870 -0.268 0.000 1.073 171 L CA 1.569 56.178 54.840 -0.385 0.000 0.753 171 L CB -0.505 41.405 42.059 -0.248 0.000 0.890 171 L HN -0.012 nan 8.230 nan 0.000 0.432 172 V N -0.056 119.772 119.914 -0.142 0.000 2.358 172 V HA -0.259 3.834 4.120 -0.044 0.000 0.246 172 V C 2.770 178.836 176.094 -0.046 0.000 1.047 172 V CA 1.634 63.901 62.300 -0.055 0.000 1.035 172 V CB -1.222 30.577 31.823 -0.040 0.000 0.658 172 V HN 0.636 nan 8.190 nan 0.000 0.452 173 A N -0.090 122.680 122.820 -0.083 0.000 1.873 173 A HA -0.221 4.072 4.320 -0.044 0.000 0.215 173 A C 1.962 179.517 177.584 -0.049 0.000 1.186 173 A CA 1.983 53.983 52.037 -0.061 0.000 0.616 173 A CB -0.586 18.369 19.000 -0.074 0.000 0.823 173 A HN 0.534 nan 8.150 nan 0.000 0.442 174 D N -1.063 119.264 120.400 -0.122 0.000 2.224 174 D HA -0.026 4.587 4.640 -0.044 0.000 0.205 174 D C 0.686 177.053 176.300 0.111 0.000 0.965 174 D CA 0.820 54.759 54.000 -0.102 0.000 0.852 174 D CB -0.209 40.422 40.800 -0.281 0.000 0.947 174 D HN 0.418 nan 8.370 nan 0.000 0.494 175 F N 0.281 120.218 119.950 -0.022 0.000 2.641 175 F HA 0.169 4.670 4.527 -0.044 0.000 0.302 175 F C 0.216 176.007 175.800 -0.015 0.000 1.098 175 F CA -0.917 57.074 58.000 -0.016 0.000 1.318 175 F CB -1.226 37.767 39.000 -0.012 0.000 1.035 175 F HN -0.182 nan 8.300 nan 0.000 0.551 176 N N 0.405 119.191 118.700 0.144 0.000 2.721 176 N HA -0.233 4.480 4.740 -0.044 0.000 0.249 176 N C -0.618 174.931 175.510 0.065 0.000 1.072 176 N CA 0.259 53.354 53.050 0.075 0.000 0.710 176 N CB -1.700 36.821 38.487 0.058 0.000 0.993 176 N HN 0.236 nan 8.380 nan 0.000 0.547 177 L N -0.301 120.968 121.223 0.076 0.000 2.426 177 L HA 0.147 4.460 4.340 -0.044 0.000 0.271 177 L C 0.927 177.813 176.870 0.027 0.000 1.169 177 L CA -0.022 54.853 54.840 0.058 0.000 0.836 177 L CB 0.375 42.477 42.059 0.072 0.000 1.112 177 L HN 0.093 nan 8.230 nan 0.000 0.465 178 D N 3.072 123.483 120.400 0.018 0.000 2.741 178 D HA 0.304 4.918 4.640 -0.044 0.000 0.233 178 D C -0.974 175.327 176.300 0.001 0.000 1.160 178 D CA 0.154 54.157 54.000 0.005 0.000 1.003 178 D CB 0.423 41.223 40.800 0.000 0.000 1.064 178 D HN 0.177 nan 8.370 nan 0.000 0.503 179 V N 0.864 120.778 119.914 -0.000 0.000 3.012 179 V HA 0.763 4.857 4.120 -0.044 0.000 0.307 179 V C -1.279 174.800 176.094 -0.025 0.000 1.166 179 V CA -0.788 61.507 62.300 -0.009 0.000 0.974 179 V CB 2.000 33.827 31.823 0.007 0.000 1.040 179 V HN 0.334 nan 8.190 nan 0.000 0.428 180 A N 5.179 127.969 122.820 -0.050 0.000 2.290 180 A HA 0.763 5.057 4.320 -0.044 0.000 0.310 180 A C -0.615 176.897 177.584 -0.119 0.000 1.202 180 A CA -0.421 51.570 52.037 -0.076 0.000 0.837 180 A CB 1.160 20.110 19.000 -0.082 0.000 1.139 180 A HN 1.103 nan 8.150 nan 0.000 0.509 181 V N 3.600 123.460 119.914 -0.089 0.000 2.406 181 V HA 0.310 4.403 4.120 -0.044 0.000 0.272 181 V C -0.136 175.882 176.094 -0.127 0.000 1.043 181 V CA -0.317 61.941 62.300 -0.069 0.000 0.915 181 V CB 1.180 33.002 31.823 -0.001 0.000 0.988 181 V HN 0.582 nan 8.190 nan 0.000 0.466 182 V N 4.543 124.313 119.914 -0.241 0.000 2.357 182 V HA 0.621 4.715 4.120 -0.044 0.000 0.284 182 V C 0.758 176.834 176.094 -0.031 0.000 1.018 182 V CA -0.377 61.782 62.300 -0.233 0.000 0.841 182 V CB 1.583 33.051 31.823 -0.592 0.000 0.991 182 V HN 0.940 nan 8.190 nan 0.000 0.437 183 G N 3.717 112.543 108.800 0.044 0.000 2.356 183 G HA2 0.557 4.490 3.960 -0.044 0.000 0.298 183 G HA3 0.557 4.490 3.960 -0.044 0.000 0.298 183 G C -0.822 174.162 174.900 0.139 0.000 1.145 183 G CA -0.307 44.861 45.100 0.113 0.000 0.850 183 G HN 0.543 nan 8.290 nan 0.000 0.487 184 V N 4.408 124.425 119.914 0.172 0.000 2.448 184 V HA 0.309 4.402 4.120 -0.044 0.000 0.295 184 V C -2.068 174.106 176.094 0.134 0.000 1.025 184 V CA -1.642 60.755 62.300 0.162 0.000 0.859 184 V CB 2.163 34.098 31.823 0.186 0.000 0.988 184 V HN 0.587 nan 8.190 nan 0.000 0.431 185 P HA 0.080 nan 4.420 nan 0.000 0.266 185 P C 0.111 177.462 177.300 0.085 0.000 1.195 185 P CA 0.156 63.313 63.100 0.094 0.000 0.768 185 P CB 0.202 31.947 31.700 0.074 0.000 0.838 186 T N 2.427 117.029 114.554 0.079 0.000 2.871 186 T HA 0.084 4.407 4.350 -0.044 0.000 0.296 186 T C 0.420 175.148 174.700 0.047 0.000 0.998 186 T CA -0.077 62.062 62.100 0.066 0.000 1.162 186 T CB -0.119 68.783 68.868 0.056 0.000 0.947 186 T HN 0.051 nan 8.240 nan 0.000 0.536 187 V N 5.924 125.865 119.914 0.044 0.000 2.583 187 V HA 0.335 4.429 4.120 -0.044 0.000 0.287 187 V C 0.697 176.794 176.094 0.005 0.000 1.051 187 V CA -0.233 62.086 62.300 0.032 0.000 1.010 187 V CB 0.687 32.538 31.823 0.047 0.000 0.988 187 V HN 0.740 nan 8.190 nan 0.000 0.478 188 R N 2.506 123.008 120.500 0.003 0.000 2.803 188 R HA 0.483 4.797 4.340 -0.044 0.000 0.276 188 R C -0.614 175.677 176.300 -0.014 0.000 0.978 188 R CA -0.983 55.110 56.100 -0.012 0.000 0.939 188 R CB 1.849 32.148 30.300 -0.002 0.000 1.179 188 R HN 0.634 nan 8.270 nan 0.000 0.472 189 E N 0.692 120.877 120.200 -0.025 0.000 2.428 189 E HA -0.018 4.305 4.350 -0.044 0.000 0.257 189 E C 0.900 177.494 176.600 -0.010 0.000 1.197 189 E CA 0.217 56.605 56.400 -0.020 0.000 0.974 189 E CB 0.547 30.230 29.700 -0.028 0.000 0.976 189 E HN 0.765 nan 8.360 nan 0.000 0.463 190 A N 1.623 124.439 122.820 -0.007 0.000 2.019 190 A HA -0.207 4.086 4.320 -0.044 0.000 0.219 190 A C 1.409 178.991 177.584 -0.004 0.000 1.164 190 A CA 1.981 54.016 52.037 -0.003 0.000 0.644 190 A CB -0.406 18.592 19.000 -0.003 0.000 0.805 190 A HN 0.604 nan 8.150 nan 0.000 0.449 191 D N -2.534 117.862 120.400 -0.007 0.000 2.355 191 D HA 0.254 4.867 4.640 -0.044 0.000 0.218 191 D C 1.195 177.492 176.300 -0.005 0.000 1.004 191 D CA 1.152 55.148 54.000 -0.007 0.000 0.880 191 D CB -0.356 40.438 40.800 -0.009 0.000 0.911 191 D HN 0.785 nan 8.370 nan 0.000 0.528 192 G N -0.019 108.777 108.800 -0.006 0.000 2.211 192 G HA2 -0.224 3.709 3.960 -0.044 0.000 0.201 192 G HA3 -0.224 3.709 3.960 -0.044 0.000 0.201 192 G C -0.043 174.852 174.900 -0.009 0.000 0.997 192 G CA -0.081 45.017 45.100 -0.003 0.000 0.652 192 G HN 0.423 nan 8.290 nan 0.000 0.500 193 L N 2.486 123.700 121.223 -0.016 0.000 2.584 193 L HA 0.620 4.934 4.340 -0.044 0.000 0.272 193 L C 1.110 177.960 176.870 -0.034 0.000 1.195 193 L CA 0.299 55.124 54.840 -0.025 0.000 0.920 193 L CB -0.018 42.023 42.059 -0.030 0.000 1.173 193 L HN 1.031 nan 8.230 nan 0.000 0.489 194 A N 6.994 129.796 122.820 -0.031 0.000 2.546 194 A HA 0.204 4.497 4.320 -0.044 0.000 0.243 194 A C 0.584 178.114 177.584 -0.089 0.000 1.063 194 A CA -0.369 51.645 52.037 -0.038 0.000 0.757 194 A CB -0.224 18.766 19.000 -0.016 0.000 0.991 194 A HN 0.756 nan 8.150 nan 0.000 0.503 195 M N 1.889 121.408 119.600 -0.135 0.000 2.250 195 M HA 0.217 4.670 4.480 -0.044 0.000 0.337 195 M C 0.601 176.659 176.300 -0.403 0.000 1.161 195 M CA 0.929 56.034 55.300 -0.325 0.000 1.088 195 M CB 0.272 32.628 32.600 -0.407 0.000 1.639 195 M HN 0.852 nan 8.290 nan 0.000 0.447 196 S N 0.669 116.086 115.700 -0.471 0.000 2.542 196 S HA 0.335 4.778 4.470 -0.044 0.000 0.276 196 S C 0.332 174.885 174.600 -0.079 0.000 1.148 196 S CA -0.633 57.447 58.200 -0.199 0.000 0.886 196 S CB 1.157 64.332 63.200 -0.042 0.000 1.109 196 S HN 0.625 nan 8.310 nan 0.000 0.458 197 S N 2.599 118.402 115.700 0.172 0.000 2.603 197 S HA 0.062 4.505 4.470 -0.044 0.000 0.229 197 S C 1.438 176.020 174.600 -0.030 0.000 0.972 197 S CA 0.400 58.673 58.200 0.122 0.000 0.935 197 S CB -0.186 63.113 63.200 0.166 0.000 0.769 197 S HN 0.606 nan 8.310 nan 0.000 0.536 198 R N 0.841 121.357 120.500 0.027 0.000 2.290 198 R HA 0.221 4.535 4.340 -0.044 0.000 0.197 198 R C 1.187 177.491 176.300 0.006 0.000 0.913 198 R CA -0.061 56.098 56.100 0.099 0.000 1.040 198 R CB 0.007 30.415 30.300 0.179 0.000 0.992 198 R HN 0.214 nan 8.270 nan 0.000 0.500 199 N N 1.743 120.405 118.700 -0.063 0.000 2.272 199 N HA -0.198 4.515 4.740 -0.044 0.000 0.185 199 N C 1.558 176.992 175.510 -0.127 0.000 1.014 199 N CA 1.191 54.196 53.050 -0.075 0.000 0.870 199 N CB -0.174 38.260 38.487 -0.089 0.000 0.975 199 N HN 0.379 nan 8.380 nan 0.000 0.433 200 R N -0.389 119.951 120.500 -0.267 0.000 2.200 200 R HA -0.106 4.207 4.340 -0.044 0.000 0.234 200 R C 0.744 176.831 176.300 -0.355 0.000 1.127 200 R CA 1.129 57.014 56.100 -0.357 0.000 0.989 200 R CB -0.603 29.379 30.300 -0.529 0.000 0.869 200 R HN 0.242 nan 8.270 nan 0.000 0.459 201 Y N 1.269 121.554 120.300 -0.024 0.000 2.490 201 Y HA 0.281 4.804 4.550 -0.045 0.000 0.281 201 Y C 0.535 176.424 175.900 -0.017 0.000 1.174 201 Y CA -0.481 57.607 58.100 -0.021 0.000 1.295 201 Y CB 0.097 38.544 38.460 -0.021 0.000 1.062 201 Y HN -0.074 nan 8.280 nan 0.000 0.522 202 L N 2.041 123.311 121.223 0.078 0.000 2.290 202 L HA 0.200 4.513 4.340 -0.044 0.000 0.284 202 L C 0.168 177.053 176.870 0.025 0.000 1.078 202 L CA -0.833 54.034 54.840 0.044 0.000 0.815 202 L CB 0.385 42.453 42.059 0.015 0.000 1.162 202 L HN 0.158 nan 8.230 nan 0.000 0.435 203 D N 3.422 123.838 120.400 0.027 0.000 2.398 203 D HA 0.156 4.770 4.640 -0.044 0.000 0.247 203 D C -1.972 174.331 176.300 0.005 0.000 1.227 203 D CA -1.849 52.160 54.000 0.015 0.000 0.980 203 D CB 0.237 41.047 40.800 0.016 0.000 1.106 203 D HN 0.133 nan 8.370 nan 0.000 0.493 204 P HA -0.179 nan 4.420 nan 0.000 0.216 204 P C 1.181 178.480 177.300 -0.002 0.000 1.153 204 P CA 2.653 65.751 63.100 -0.002 0.000 0.858 204 P CB -0.082 31.616 31.700 -0.002 0.000 0.789 205 A N -0.609 122.211 122.820 0.000 0.000 1.873 205 A HA -0.246 4.048 4.320 -0.044 0.000 0.215 205 A C 2.228 179.811 177.584 -0.001 0.000 1.186 205 A CA 1.601 53.638 52.037 -0.001 0.000 0.616 205 A CB -1.273 17.727 19.000 0.000 0.000 0.823 205 A HN 0.192 nan 8.150 nan 0.000 0.442 206 Q N -1.125 118.676 119.800 0.002 0.000 2.079 206 Q HA -0.189 4.124 4.340 -0.044 0.000 0.200 206 Q C 2.320 178.320 176.000 -0.001 0.000 0.974 206 Q CA 1.556 57.360 55.803 0.003 0.000 0.840 206 Q CB -0.196 28.548 28.738 0.010 0.000 0.898 206 Q HN 0.539 nan 8.270 nan 0.000 0.430 207 R N 1.298 121.797 120.500 -0.002 0.000 2.083 207 R HA -0.158 4.156 4.340 -0.044 0.000 0.237 207 R C 1.983 178.277 176.300 -0.009 0.000 1.137 207 R CA 1.861 57.956 56.100 -0.008 0.000 0.951 207 R CB -0.930 29.363 30.300 -0.011 0.000 0.851 207 R HN 0.260 nan 8.270 nan 0.000 0.434 208 A N 0.278 123.093 122.820 -0.007 0.000 1.873 208 A HA -0.126 4.167 4.320 -0.044 0.000 0.218 208 A C 2.423 180.002 177.584 -0.008 0.000 1.193 208 A CA 2.294 54.327 52.037 -0.007 0.000 0.629 208 A CB -1.305 17.691 19.000 -0.006 0.000 0.826 208 A HN 0.527 nan 8.150 nan 0.000 0.447 209 A N -0.531 122.284 122.820 -0.007 0.000 2.015 209 A HA 0.231 4.525 4.320 -0.044 0.000 0.219 209 A C 2.394 179.972 177.584 -0.010 0.000 1.163 209 A CA 1.796 53.829 52.037 -0.008 0.000 0.646 209 A CB -0.860 18.136 19.000 -0.007 0.000 0.806 209 A HN 1.143 nan 8.150 nan 0.000 0.448 210 A N -0.652 122.161 122.820 -0.010 0.000 2.070 210 A HA 0.013 4.307 4.320 -0.044 0.000 0.220 210 A C 2.125 179.700 177.584 -0.014 0.000 1.159 210 A CA 1.394 53.423 52.037 -0.013 0.000 0.656 210 A CB -0.881 18.111 19.000 -0.013 0.000 0.800 210 A HN 0.679 nan 8.150 nan 0.000 0.453 211 V N -0.181 119.726 119.914 -0.013 0.000 2.688 211 V HA -0.227 3.866 4.120 -0.044 0.000 0.256 211 V C 2.660 178.748 176.094 -0.010 0.000 1.084 211 V CA 1.942 64.236 62.300 -0.011 0.000 1.103 211 V CB -0.734 31.083 31.823 -0.010 0.000 0.688 211 V HN 0.619 nan 8.190 nan 0.000 0.480 212 A N -0.535 122.279 122.820 -0.011 0.000 1.972 212 A HA -0.154 4.139 4.320 -0.044 0.000 0.219 212 A C 2.017 179.594 177.584 -0.012 0.000 1.169 212 A CA 1.925 53.956 52.037 -0.010 0.000 0.635 212 A CB -0.477 18.516 19.000 -0.011 0.000 0.810 212 A HN 0.517 nan 8.150 nan 0.000 0.446 213 L N 0.574 121.787 121.223 -0.016 0.000 1.976 213 L HA -0.193 4.121 4.340 -0.044 0.000 0.209 213 L C 3.085 179.948 176.870 -0.012 0.000 1.071 213 L CA 2.521 57.349 54.840 -0.020 0.000 0.746 213 L CB -0.817 41.227 42.059 -0.026 0.000 0.890 213 L HN 0.568 nan 8.230 nan 0.000 0.432 214 S N -0.879 114.816 115.700 -0.008 0.000 2.383 214 S HA -0.126 4.317 4.470 -0.044 0.000 0.227 214 S C 2.152 176.756 174.600 0.007 0.000 1.026 214 S CA 0.736 58.936 58.200 -0.001 0.000 0.981 214 S CB -0.818 62.382 63.200 -0.001 0.000 0.818 214 S HN 0.324 nan 8.310 nan 0.000 0.472 215 A N 2.409 125.231 122.820 0.004 0.000 1.883 215 A HA 0.188 4.482 4.320 -0.044 0.000 0.217 215 A C 2.571 180.163 177.584 0.013 0.000 1.186 215 A CA 2.012 54.053 52.037 0.008 0.000 0.624 215 A CB -1.566 17.434 19.000 0.001 0.000 0.822 215 A HN 0.880 nan 8.150 nan 0.000 0.444 216 A N -0.357 122.467 122.820 0.007 0.000 1.877 216 A HA -0.042 4.251 4.320 -0.044 0.000 0.216 216 A C 2.202 179.794 177.584 0.014 0.000 1.186 216 A CA 1.518 53.560 52.037 0.008 0.000 0.620 216 A CB -0.633 18.367 19.000 -0.001 0.000 0.822 216 A HN 0.475 nan 8.150 nan 0.000 0.443 217 L N -0.147 121.081 121.223 0.009 0.000 2.046 217 L HA -0.183 4.131 4.340 -0.044 0.000 0.208 217 L C 3.062 179.947 176.870 0.024 0.000 1.077 217 L CA 1.962 56.805 54.840 0.006 0.000 0.747 217 L CB -0.909 41.147 42.059 -0.005 0.000 0.896 217 L HN 0.685 nan 8.230 nan 0.000 0.432 218 T N -2.943 111.641 114.554 0.050 0.000 2.857 218 T HA -0.030 4.293 4.350 -0.044 0.000 0.266 218 T C 1.977 176.793 174.700 0.194 0.000 1.048 218 T CA 0.741 62.911 62.100 0.117 0.000 1.139 218 T CB -0.332 68.606 68.868 0.116 0.000 0.874 218 T HN 0.277 nan 8.240 nan 0.000 0.455 219 A N 2.254 125.139 122.820 0.108 0.000 1.892 219 A HA 0.188 4.481 4.320 -0.044 0.000 0.218 219 A C 2.856 180.498 177.584 0.095 0.000 1.188 219 A CA 2.270 54.364 52.037 0.095 0.000 0.631 219 A CB -1.528 17.498 19.000 0.043 0.000 0.822 219 A HN 0.790 nan 8.150 nan 0.000 0.447 220 A N -0.336 122.516 122.820 0.054 0.000 1.902 220 A HA 0.153 4.446 4.320 -0.044 0.000 0.217 220 A C 2.482 180.072 177.584 0.011 0.000 1.181 220 A CA 2.121 54.175 52.037 0.027 0.000 0.623 220 A CB -0.991 18.014 19.000 0.007 0.000 0.818 220 A HN 1.157 nan 8.150 nan 0.000 0.443 221 A N -1.431 121.382 122.820 -0.011 0.000 2.019 221 A HA -0.160 4.133 4.320 -0.044 0.000 0.219 221 A C 1.988 179.448 177.584 -0.206 0.000 1.164 221 A CA 1.504 53.468 52.037 -0.121 0.000 0.644 221 A CB -0.745 18.145 19.000 -0.184 0.000 0.805 221 A HN 0.713 nan 8.150 nan 0.000 0.449 222 H N -1.322 117.750 119.070 0.004 0.000 2.486 222 H HA 0.200 4.730 4.556 -0.043 0.000 0.287 222 H C 2.476 177.809 175.328 0.008 0.000 1.010 222 H CA 0.884 56.936 56.048 0.007 0.000 1.324 222 H CB -0.152 29.614 29.762 0.006 0.000 1.446 222 H HN 0.525 nan 8.280 nan 0.000 0.537 223 A N 1.503 124.390 122.820 0.112 0.000 2.076 223 A HA -0.072 4.221 4.320 -0.044 0.000 0.220 223 A C 2.541 180.147 177.584 0.037 0.000 1.160 223 A CA 1.235 53.309 52.037 0.061 0.000 0.653 223 A CB -0.579 18.448 19.000 0.044 0.000 0.801 223 A HN 0.400 nan 8.150 nan 0.000 0.455 224 A N -0.035 122.796 122.820 0.020 0.000 2.125 224 A HA -0.053 4.241 4.320 -0.044 0.000 0.219 224 A C 2.260 179.856 177.584 0.019 0.000 1.156 224 A CA 2.072 54.113 52.037 0.007 0.000 0.671 224 A CB -1.305 17.685 19.000 -0.017 0.000 0.794 224 A HN 0.797 nan 8.150 nan 0.000 0.459 225 T N -2.607 111.963 114.554 0.027 0.000 2.849 225 T HA 0.053 4.376 4.350 -0.044 0.000 0.270 225 T C 1.536 176.254 174.700 0.031 0.000 1.066 225 T CA 1.391 63.511 62.100 0.034 0.000 1.130 225 T CB -0.342 68.548 68.868 0.037 0.000 0.864 225 T HN 0.593 nan 8.240 nan 0.000 0.481 226 A N 0.771 123.608 122.820 0.027 0.000 2.275 226 A HA 0.663 4.957 4.320 -0.044 0.000 0.212 226 A C 1.294 178.890 177.584 0.020 0.000 1.201 226 A CA 0.307 52.358 52.037 0.023 0.000 0.843 226 A CB -0.708 18.305 19.000 0.022 0.000 0.873 226 A HN 1.362 nan 8.150 nan 0.000 0.492 227 G N -2.530 106.282 108.800 0.020 0.000 2.525 227 G HA2 0.300 4.233 3.960 -0.044 0.000 0.685 227 G HA3 0.300 4.233 3.960 -0.044 0.000 0.685 227 G C 0.736 175.642 174.900 0.009 0.000 1.290 227 G CA -0.206 44.903 45.100 0.016 0.000 0.915 227 G HN 1.164 nan 8.290 nan 0.000 0.548 228 A N -0.964 121.859 122.820 0.004 0.000 1.897 228 A HA 0.092 4.385 4.320 -0.044 0.000 0.215 228 A C 2.300 179.885 177.584 0.001 0.000 1.181 228 A CA 2.641 54.677 52.037 -0.002 0.000 0.620 228 A CB -0.544 18.452 19.000 -0.007 0.000 0.821 228 A HN 1.313 nan 8.150 nan 0.000 0.443 229 Q N 0.020 119.823 119.800 0.004 0.000 2.050 229 Q HA -0.079 4.234 4.340 -0.044 0.000 0.202 229 Q C 2.049 178.054 176.000 0.008 0.000 0.980 229 Q CA 2.287 58.093 55.803 0.006 0.000 0.840 229 Q CB -0.582 28.160 28.738 0.006 0.000 0.898 229 Q HN 0.553 nan 8.270 nan 0.000 0.424 230 A N 0.283 123.108 122.820 0.009 0.000 1.902 230 A HA -0.091 4.202 4.320 -0.044 0.000 0.217 230 A C 2.295 179.887 177.584 0.013 0.000 1.181 230 A CA 1.954 53.998 52.037 0.012 0.000 0.623 230 A CB -1.264 17.745 19.000 0.015 0.000 0.818 230 A HN 0.544 nan 8.150 nan 0.000 0.443 231 A N -0.259 122.567 122.820 0.010 0.000 1.858 231 A HA -0.077 4.216 4.320 -0.044 0.000 0.216 231 A C 2.205 179.794 177.584 0.008 0.000 1.190 231 A CA 1.579 53.621 52.037 0.009 0.000 0.617 231 A CB -0.698 18.301 19.000 -0.002 0.000 0.827 231 A HN 0.468 nan 8.150 nan 0.000 0.443 232 L N -0.595 120.632 121.223 0.006 0.000 2.046 232 L HA -0.199 4.114 4.340 -0.044 0.000 0.208 232 L C 2.085 178.961 176.870 0.010 0.000 1.077 232 L CA 1.507 56.352 54.840 0.008 0.000 0.747 232 L CB -0.598 41.465 42.059 0.008 0.000 0.896 232 L HN 0.327 nan 8.230 nan 0.000 0.432 233 D N -0.112 120.294 120.400 0.010 0.000 2.144 233 D HA -0.120 4.493 4.640 -0.044 0.000 0.200 233 D C 2.195 178.501 176.300 0.010 0.000 0.978 233 D CA 1.337 55.342 54.000 0.010 0.000 0.833 233 D CB 0.004 40.810 40.800 0.009 0.000 0.961 233 D HN 0.305 nan 8.370 nan 0.000 0.470 234 A N 1.050 123.877 122.820 0.013 0.000 1.873 234 A HA -0.018 4.275 4.320 -0.044 0.000 0.215 234 A C 2.316 179.908 177.584 0.013 0.000 1.186 234 A CA 2.122 54.168 52.037 0.015 0.000 0.616 234 A CB -0.784 18.229 19.000 0.022 0.000 0.823 234 A HN 0.221 nan 8.150 nan 0.000 0.442 235 A N -0.080 122.748 122.820 0.012 0.000 1.883 235 A HA -0.193 4.101 4.320 -0.044 0.000 0.217 235 A C 2.193 179.780 177.584 0.005 0.000 1.186 235 A CA 2.288 54.331 52.037 0.009 0.000 0.624 235 A CB -0.485 18.519 19.000 0.008 0.000 0.822 235 A HN 0.487 nan 8.150 nan 0.000 0.444 236 R N 0.174 120.678 120.500 0.007 0.000 2.091 236 R HA -0.055 4.258 4.340 -0.044 0.000 0.238 236 R C 2.147 178.449 176.300 0.003 0.000 1.136 236 R CA 2.014 58.117 56.100 0.005 0.000 0.959 236 R CB -0.895 29.410 30.300 0.008 0.000 0.856 236 R HN 0.397 nan 8.270 nan 0.000 0.437 237 A N -0.260 122.563 122.820 0.004 0.000 1.883 237 A HA -0.128 4.165 4.320 -0.044 0.000 0.217 237 A C 2.346 179.931 177.584 0.001 0.000 1.186 237 A CA 1.937 53.976 52.037 0.003 0.000 0.624 237 A CB -0.787 18.216 19.000 0.005 0.000 0.822 237 A HN 0.204 nan 8.150 nan 0.000 0.444 238 V N -0.039 119.876 119.914 0.002 0.000 2.307 238 V HA -0.229 3.864 4.120 -0.044 0.000 0.245 238 V C 2.565 178.657 176.094 -0.004 0.000 1.045 238 V CA 1.872 64.171 62.300 -0.000 0.000 1.024 238 V CB -0.793 31.031 31.823 0.001 0.000 0.651 238 V HN 0.565 nan 8.190 nan 0.000 0.449 239 L N -0.089 121.131 121.223 -0.005 0.000 2.079 239 L HA -0.222 4.091 4.340 -0.044 0.000 0.210 239 L C 2.281 179.146 176.870 -0.008 0.000 1.081 239 L CA 1.618 56.452 54.840 -0.010 0.000 0.752 239 L CB -0.724 41.328 42.059 -0.013 0.000 0.896 239 L HN 0.333 nan 8.230 nan 0.000 0.433 240 D N -0.088 120.309 120.400 -0.005 0.000 2.219 240 D HA -0.089 4.524 4.640 -0.044 0.000 0.205 240 D C 2.141 178.439 176.300 -0.004 0.000 0.970 240 D CA 1.248 55.246 54.000 -0.004 0.000 0.851 240 D CB 0.075 40.874 40.800 -0.001 0.000 0.943 240 D HN 0.312 nan 8.370 nan 0.000 0.488 241 A N 0.253 123.071 122.820 -0.004 0.000 2.119 241 A HA 0.318 4.611 4.320 -0.044 0.000 0.216 241 A C 1.275 178.856 177.584 -0.005 0.000 1.152 241 A CA 0.612 52.647 52.037 -0.003 0.000 0.708 241 A CB -0.097 18.901 19.000 -0.003 0.000 0.805 241 A HN 0.174 nan 8.150 nan 0.000 0.460 242 A N 1.440 124.257 122.820 -0.006 0.000 2.331 242 A HA 0.576 4.869 4.320 -0.044 0.000 0.283 242 A C -2.432 175.148 177.584 -0.007 0.000 1.142 242 A CA -1.597 50.436 52.037 -0.007 0.000 0.812 242 A CB 0.028 19.022 19.000 -0.009 0.000 1.074 242 A HN 0.241 nan 8.150 nan 0.000 0.497 243 P HA 0.285 nan 4.420 nan 0.000 0.276 243 P C 0.755 178.051 177.300 -0.006 0.000 1.243 243 P CA 1.103 64.200 63.100 -0.006 0.000 0.768 243 P CB 0.992 32.689 31.700 -0.005 0.000 0.856 244 G N 2.143 110.939 108.800 -0.007 0.000 2.155 244 G HA2 -0.209 3.724 3.960 -0.044 0.000 0.257 244 G HA3 -0.209 3.724 3.960 -0.044 0.000 0.257 244 G C -0.016 174.878 174.900 -0.010 0.000 0.983 244 G CA -0.059 45.036 45.100 -0.007 0.000 0.676 244 G HN 0.524 nan 8.290 nan 0.000 0.528 245 V N 0.977 120.884 119.914 -0.012 0.000 2.389 245 V HA 0.640 4.734 4.120 -0.044 0.000 0.264 245 V C 0.796 176.878 176.094 -0.019 0.000 1.049 245 V CA -0.035 62.254 62.300 -0.017 0.000 0.932 245 V CB 1.152 32.964 31.823 -0.019 0.000 1.011 245 V HN 1.033 nan 8.190 nan 0.000 0.475 246 A N 5.777 128.583 122.820 -0.023 0.000 2.260 246 A HA 0.644 4.937 4.320 -0.044 0.000 0.312 246 A C -0.241 177.322 177.584 -0.036 0.000 1.321 246 A CA -0.413 51.611 52.037 -0.023 0.000 0.928 246 A CB 0.598 19.587 19.000 -0.018 0.000 1.158 246 A HN 0.617 nan 8.150 nan 0.000 0.542 247 V N 3.504 123.398 119.914 -0.034 0.000 2.508 247 V HA 0.021 4.115 4.120 -0.044 0.000 0.281 247 V C 1.155 177.221 176.094 -0.047 0.000 1.041 247 V CA 0.178 62.447 62.300 -0.052 0.000 1.016 247 V CB 1.095 32.897 31.823 -0.034 0.000 0.984 247 V HN 1.070 nan 8.190 nan 0.000 0.478 248 D N 3.400 123.743 120.400 -0.095 0.000 2.121 248 D HA 0.001 4.614 4.640 -0.044 0.000 0.209 248 D C 0.121 176.440 176.300 0.033 0.000 0.981 248 D CA 1.454 55.419 54.000 -0.058 0.000 0.875 248 D CB 0.286 40.996 40.800 -0.150 0.000 1.016 248 D HN 0.622 nan 8.370 nan 0.000 0.452 249 Y N -1.186 119.118 120.300 0.007 0.000 2.553 249 Y HA 0.622 5.145 4.550 -0.046 0.000 0.347 249 Y C -1.499 174.404 175.900 0.005 0.000 1.019 249 Y CA -1.674 56.430 58.100 0.007 0.000 1.032 249 Y CB 1.154 39.621 38.460 0.011 0.000 1.284 249 Y HN -0.106 nan 8.280 nan 0.000 0.466 250 L N 2.483 123.843 121.223 0.230 0.000 2.446 250 L HA 0.621 4.934 4.340 -0.044 0.000 0.268 250 L C -1.509 175.456 176.870 0.158 0.000 0.975 250 L CA -0.343 54.591 54.840 0.156 0.000 0.848 250 L CB 1.713 43.809 42.059 0.060 0.000 1.225 250 L HN 0.884 nan 8.230 nan 0.000 0.410 251 E N 4.080 124.382 120.200 0.170 0.000 2.308 251 E HA 0.461 4.784 4.350 -0.044 0.000 0.275 251 E C -1.810 174.811 176.600 0.033 0.000 0.890 251 E CA -0.955 55.491 56.400 0.076 0.000 0.754 251 E CB 2.997 32.711 29.700 0.024 0.000 1.207 251 E HN 0.497 nan 8.360 nan 0.000 0.426 252 L N 3.219 124.444 121.223 0.003 0.000 2.305 252 L HA 0.496 4.809 4.340 -0.044 0.000 0.284 252 L C -0.908 175.944 176.870 -0.031 0.000 1.013 252 L CA 0.008 54.836 54.840 -0.019 0.000 0.819 252 L CB 0.662 42.709 42.059 -0.020 0.000 1.227 252 L HN 0.467 nan 8.230 nan 0.000 0.417 253 R N 2.478 122.954 120.500 -0.041 0.000 2.888 253 R HA 0.358 4.672 4.340 -0.044 0.000 0.264 253 R C -1.242 175.031 176.300 -0.044 0.000 1.045 253 R CA -1.125 54.953 56.100 -0.038 0.000 0.962 253 R CB 1.512 31.795 30.300 -0.028 0.000 1.210 253 R HN 0.729 nan 8.270 nan 0.000 0.479 254 D N 0.439 120.816 120.400 -0.038 0.000 2.390 254 D HA -0.040 4.573 4.640 -0.044 0.000 0.236 254 D C 1.513 177.810 176.300 -0.004 0.000 1.189 254 D CA -0.030 53.947 54.000 -0.038 0.000 0.887 254 D CB 0.724 41.502 40.800 -0.038 0.000 1.198 254 D HN 0.506 nan 8.370 nan 0.000 0.444 255 I N -0.213 120.358 120.570 0.002 0.000 2.335 255 I HA 0.029 4.172 4.170 -0.044 0.000 0.251 255 I C 1.838 178.045 176.117 0.150 0.000 1.129 255 I CA 1.404 62.755 61.300 0.086 0.000 1.402 255 I CB -0.572 37.466 38.000 0.063 0.000 1.069 255 I HN 0.384 nan 8.210 nan 0.000 0.424 256 G N 0.728 109.554 108.800 0.043 0.000 2.920 256 G HA2 0.229 4.162 3.960 -0.044 0.000 0.208 256 G HA3 0.229 4.162 3.960 -0.044 0.000 0.208 256 G C 1.125 176.016 174.900 -0.016 0.000 1.159 256 G CA 0.109 45.204 45.100 -0.009 0.000 0.784 256 G HN 0.532 nan 8.290 nan 0.000 0.535 257 L N -1.594 119.646 121.223 0.029 0.000 4.555 257 L HA -0.209 4.104 4.340 -0.044 0.000 0.431 257 L C 1.593 178.440 176.870 -0.039 0.000 1.136 257 L CA 0.205 55.047 54.840 0.003 0.000 0.972 257 L CB -1.963 40.100 42.059 0.006 0.000 1.999 257 L HN 0.344 nan 8.230 nan 0.000 0.900 258 G N 0.151 108.926 108.800 -0.043 0.000 2.525 258 G HA2 0.518 4.452 3.960 -0.044 0.000 0.287 258 G HA3 0.518 4.452 3.960 -0.044 0.000 0.287 258 G C -1.960 172.914 174.900 -0.044 0.000 1.350 258 G CA -0.336 44.732 45.100 -0.053 0.000 1.039 258 G HN 0.105 nan 8.290 nan 0.000 0.513 259 P HA 0.143 nan 4.420 nan 0.000 0.225 259 P C -0.481 176.800 177.300 -0.031 0.000 1.768 259 P CA 0.526 63.604 63.100 -0.035 0.000 0.943 259 P CB -0.580 31.100 31.700 -0.033 0.000 1.936 260 M N -0.544 119.037 119.600 -0.032 0.000 2.484 260 M HA 0.652 5.105 4.480 -0.044 0.000 0.289 260 M C -3.200 173.081 176.300 -0.031 0.000 1.206 260 M CA -2.670 52.613 55.300 -0.029 0.000 0.892 260 M CB 1.757 34.339 32.600 -0.030 0.000 1.712 260 M HN -0.318 nan 8.290 nan 0.000 0.462 261 P HA 0.321 nan 4.420 nan 0.000 0.274 261 P C -0.801 176.476 177.300 -0.039 0.000 1.237 261 P CA -0.629 62.453 63.100 -0.029 0.000 0.793 261 P CB 0.464 32.150 31.700 -0.023 0.000 0.977 262 L N 2.318 123.515 121.223 -0.043 0.000 2.490 262 L HA 0.079 4.392 4.340 -0.044 0.000 0.274 262 L C 0.894 177.722 176.870 -0.068 0.000 1.201 262 L CA 0.515 55.319 54.840 -0.061 0.000 0.869 262 L CB -0.540 41.484 42.059 -0.058 0.000 1.123 262 L HN 0.571 nan 8.230 nan 0.000 0.484 263 N N 2.676 121.313 118.700 -0.104 0.000 1.785 263 N HA 0.295 5.008 4.740 -0.044 0.000 0.230 263 N C 1.073 176.465 175.510 -0.198 0.000 1.188 263 N CA -0.052 52.923 53.050 -0.124 0.000 0.977 263 N CB -0.435 37.972 38.487 -0.133 0.000 1.309 263 N HN 0.512 nan 8.380 nan 0.000 0.396 264 G N -1.121 107.416 108.800 -0.438 0.000 2.595 264 G HA2 0.143 4.076 3.960 -0.044 0.000 0.213 264 G HA3 0.143 4.076 3.960 -0.044 0.000 0.213 264 G C -0.103 174.377 174.900 -0.700 0.000 1.141 264 G CA -0.028 44.617 45.100 -0.758 0.000 0.806 264 G HN 0.410 nan 8.290 nan 0.000 0.530 265 S N -0.282 115.071 115.700 -0.579 0.000 2.478 265 S HA 0.699 5.142 4.470 -0.044 0.000 0.312 265 S C 0.124 174.604 174.600 -0.201 0.000 1.094 265 S CA -0.279 57.712 58.200 -0.348 0.000 1.081 265 S CB 1.722 64.736 63.200 -0.310 0.000 1.007 265 S HN 0.534 nan 8.310 nan 0.000 0.475 266 G N 1.613 110.324 108.800 -0.150 0.000 2.866 266 G HA2 0.742 4.676 3.960 -0.044 0.000 0.289 266 G HA3 0.742 4.676 3.960 -0.044 0.000 0.289 266 G C -1.659 173.165 174.900 -0.126 0.000 1.396 266 G CA -0.778 44.253 45.100 -0.115 0.000 0.848 266 G HN 0.501 nan 8.290 nan 0.000 0.515 267 R N -0.878 119.540 120.500 -0.138 0.000 2.575 267 R HA 0.630 4.943 4.340 -0.044 0.000 0.293 267 R C -1.557 174.653 176.300 -0.150 0.000 0.983 267 R CA -0.671 55.295 56.100 -0.224 0.000 0.887 267 R CB 1.628 31.672 30.300 -0.427 0.000 1.184 267 R HN 0.488 nan 8.270 nan 0.000 0.445 268 L N 5.287 126.432 121.223 -0.131 0.000 2.282 268 L HA 0.599 4.913 4.340 -0.044 0.000 0.288 268 L C -1.707 175.136 176.870 -0.045 0.000 1.033 268 L CA -0.306 54.496 54.840 -0.063 0.000 0.807 268 L CB 1.167 43.199 42.059 -0.046 0.000 1.209 268 L HN 0.612 nan 8.230 nan 0.000 0.423 269 L N 5.826 127.068 121.223 0.030 0.000 2.365 269 L HA 0.752 5.065 4.340 -0.044 0.000 0.273 269 L C -0.609 176.366 176.870 0.175 0.000 1.000 269 L CA -0.572 54.337 54.840 0.116 0.000 0.819 269 L CB 1.980 44.166 42.059 0.212 0.000 1.284 269 L HN 0.420 nan 8.230 nan 0.000 0.418 270 V N 1.945 121.898 119.914 0.065 0.000 2.789 270 V HA 0.955 5.048 4.120 -0.044 0.000 0.311 270 V C -1.054 174.845 176.094 -0.326 0.000 1.073 270 V CA -0.263 61.975 62.300 -0.103 0.000 0.921 270 V CB 1.976 33.758 31.823 -0.069 0.000 1.009 270 V HN 0.870 nan 8.190 nan 0.000 0.426 271 A N 4.835 127.233 122.820 -0.703 0.000 2.393 271 A HA 1.041 5.334 4.320 -0.044 0.000 0.306 271 A C -0.517 176.843 177.584 -0.374 0.000 1.050 271 A CA 0.010 51.686 52.037 -0.602 0.000 0.724 271 A CB 1.779 20.175 19.000 -1.006 0.000 1.248 271 A HN 2.070 nan 8.150 nan 0.000 0.424 272 A N 2.032 124.730 122.820 -0.204 0.000 2.572 272 A HA 0.837 5.131 4.320 -0.044 0.000 0.295 272 A C -0.675 176.861 177.584 -0.080 0.000 1.072 272 A CA -0.718 51.243 52.037 -0.127 0.000 0.691 272 A CB 1.308 20.252 19.000 -0.093 0.000 1.291 272 A HN 0.807 nan 8.150 nan 0.000 0.404 273 R N 0.059 120.526 120.500 -0.056 0.000 2.460 273 R HA 0.644 4.957 4.340 -0.044 0.000 0.303 273 R C -1.644 174.642 176.300 -0.024 0.000 0.968 273 R CA -0.559 55.520 56.100 -0.035 0.000 0.889 273 R CB 1.516 31.798 30.300 -0.030 0.000 1.123 273 R HN 0.485 nan 8.270 nan 0.000 0.455 274 L N 2.854 124.069 121.223 -0.013 0.000 2.345 274 L HA 0.381 4.694 4.340 -0.044 0.000 0.274 274 L C 0.893 177.763 176.870 -0.001 0.000 0.999 274 L CA 0.271 55.107 54.840 -0.006 0.000 0.849 274 L CB 1.631 43.690 42.059 -0.001 0.000 1.220 274 L HN 0.962 nan 8.230 nan 0.000 0.422 275 G N 2.473 111.270 108.800 -0.004 0.000 2.596 275 G HA2 -0.412 3.522 3.960 -0.044 0.000 0.304 275 G HA3 -0.412 3.522 3.960 -0.044 0.000 0.304 275 G C 0.800 175.693 174.900 -0.012 0.000 1.189 275 G CA 0.680 45.777 45.100 -0.005 0.000 0.986 275 G HN 0.710 nan 8.290 nan 0.000 0.548 276 T N -1.974 112.570 114.554 -0.017 0.000 3.086 276 T HA 0.456 4.780 4.350 -0.044 0.000 0.250 276 T C 0.863 175.544 174.700 -0.032 0.000 1.074 276 T CA 1.375 63.456 62.100 -0.031 0.000 0.988 276 T CB 0.169 69.008 68.868 -0.050 0.000 0.988 276 T HN 0.730 nan 8.240 nan 0.000 0.530 277 T N 2.877 117.427 114.554 -0.008 0.000 2.743 277 T HA 0.410 4.733 4.350 -0.044 0.000 0.293 277 T C -0.258 174.446 174.700 0.008 0.000 0.945 277 T CA -0.565 61.545 62.100 0.016 0.000 1.030 277 T CB 1.279 70.189 68.868 0.071 0.000 0.912 277 T HN 0.273 nan 8.240 nan 0.000 0.483 278 R N 3.735 124.239 120.500 0.006 0.000 2.229 278 R HA 0.540 4.853 4.340 -0.044 0.000 0.328 278 R C -0.911 175.388 176.300 -0.001 0.000 1.009 278 R CA -0.527 55.566 56.100 -0.012 0.000 0.864 278 R CB 0.387 30.673 30.300 -0.023 0.000 1.085 278 R HN 0.571 nan 8.270 nan 0.000 0.453 279 L N 5.611 126.820 121.223 -0.023 0.000 2.334 279 L HA 0.540 4.853 4.340 -0.044 0.000 0.276 279 L C -0.545 176.299 176.870 -0.044 0.000 1.014 279 L CA -0.963 53.866 54.840 -0.018 0.000 0.815 279 L CB 1.712 43.760 42.059 -0.018 0.000 1.268 279 L HN 0.472 nan 8.230 nan 0.000 0.428 280 L N 1.724 122.938 121.223 -0.014 0.000 2.354 280 L HA 0.670 4.984 4.340 -0.044 0.000 0.269 280 L C -1.138 175.735 176.870 0.005 0.000 1.005 280 L CA -0.520 54.313 54.840 -0.011 0.000 0.819 280 L CB 2.181 44.270 42.059 0.050 0.000 1.311 280 L HN 0.549 nan 8.230 nan 0.000 0.423 281 D N 0.802 121.204 120.400 0.002 0.000 2.622 281 D HA 0.457 5.070 4.640 -0.044 0.000 0.255 281 D C -1.733 174.575 176.300 0.015 0.000 1.246 281 D CA -0.334 53.674 54.000 0.013 0.000 0.795 281 D CB 2.591 43.388 40.800 -0.005 0.000 1.369 281 D HN 0.699 nan 8.370 nan 0.000 0.425 282 N N 0.233 118.932 118.700 -0.001 0.000 2.823 282 N HA 0.659 5.372 4.740 -0.044 0.000 0.251 282 N C -1.716 173.743 175.510 -0.085 0.000 1.392 282 N CA -0.775 52.244 53.050 -0.052 0.000 0.864 282 N CB 1.769 40.202 38.487 -0.090 0.000 1.481 282 N HN 0.401 nan 8.380 nan 0.000 0.508 283 I N -0.242 120.250 120.570 -0.129 0.000 2.827 283 I HA 0.689 4.833 4.170 -0.044 0.000 0.298 283 I C -0.873 175.149 176.117 -0.159 0.000 1.235 283 I CA -1.121 60.111 61.300 -0.113 0.000 1.021 283 I CB 2.072 40.034 38.000 -0.062 0.000 1.259 283 I HN 0.967 nan 8.210 nan 0.000 0.427 284 A N 7.316 130.056 122.820 -0.133 0.000 2.520 284 A HA 0.475 4.768 4.320 -0.044 0.000 0.245 284 A C -0.655 176.867 177.584 -0.104 0.000 1.072 284 A CA 0.272 52.236 52.037 -0.120 0.000 0.761 284 A CB -0.108 18.847 19.000 -0.075 0.000 1.004 284 A HN 0.453 nan 8.150 nan 0.000 0.499 285 I N 2.077 122.583 120.570 -0.106 0.000 2.466 285 I HA 0.345 4.488 4.170 -0.044 0.000 0.289 285 I C -0.584 175.478 176.117 -0.091 0.000 1.026 285 I CA -0.449 60.795 61.300 -0.093 0.000 1.078 285 I CB 1.740 39.689 38.000 -0.085 0.000 1.249 285 I HN 0.691 nan 8.210 nan 0.000 0.429 286 E N 5.894 126.054 120.200 -0.065 0.000 2.145 286 E HA 0.502 4.825 4.350 -0.044 0.000 0.270 286 E C -0.616 175.986 176.600 0.002 0.000 0.906 286 E CA -0.464 55.915 56.400 -0.034 0.000 0.761 286 E CB 2.144 31.880 29.700 0.059 0.000 1.116 286 E HN 0.276 nan 8.360 nan 0.000 0.408 287 I N 2.466 123.034 120.570 -0.002 0.000 2.331 287 I HA 0.282 4.426 4.170 -0.044 0.000 0.292 287 I C 1.494 177.680 176.117 0.116 0.000 0.998 287 I CA 0.053 61.371 61.300 0.029 0.000 1.267 287 I CB 0.634 38.628 38.000 -0.009 0.000 1.386 287 I HN 0.871 nan 8.210 nan 0.000 0.476 288 G N 5.422 114.274 108.800 0.086 0.000 2.196 288 G HA2 -0.414 3.520 3.960 -0.044 0.000 0.268 288 G HA3 -0.414 3.520 3.960 -0.044 0.000 0.268 288 G C 0.858 175.821 174.900 0.105 0.000 0.975 288 G CA 1.615 46.769 45.100 0.091 0.000 0.648 288 G HN 1.267 nan 8.290 nan 0.000 0.538 289 T N -4.180 110.460 114.554 0.144 0.000 8.089 289 T HA -0.184 4.139 4.350 -0.044 0.000 0.315 289 T C 0.613 175.448 174.700 0.225 0.000 2.025 289 T CA 2.407 64.602 62.100 0.159 0.000 3.021 289 T CB -2.367 66.541 68.868 0.067 0.000 2.356 289 T HN 2.472 nan 8.240 nan 0.000 1.220 290 F N 0.000 119.943 119.950 -0.012 0.000 2.286 290 F HA 0.000 4.500 4.527 -0.046 0.000 0.279 290 F CA 0.000 57.994 58.000 -0.010 0.000 1.383 290 F CB 0.000 38.993 39.000 -0.012 0.000 1.145 290 F HN 0.000 nan 8.300 nan 0.000 0.574