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 3iue_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 0.000 176.099 176.117 -0.030 0.000 1.063 3 I CA 0.000 61.267 61.300 -0.055 0.000 1.566 3 I CB 0.000 37.953 38.000 -0.078 0.000 1.214 4 P HA 0.513 nan 4.420 nan 0.000 0.275 4 P C -0.395 176.943 177.300 0.063 0.000 1.266 4 P CA -0.400 62.719 63.100 0.032 0.000 0.793 4 P CB 0.499 32.242 31.700 0.072 0.000 1.074 5 A N 0.350 123.215 122.820 0.074 0.000 2.477 5 A HA 0.354 4.648 4.320 -0.043 0.000 0.246 5 A C -0.664 176.936 177.584 0.027 0.000 1.078 5 A CA -0.058 51.966 52.037 -0.021 0.000 0.770 5 A CB -0.693 18.229 19.000 -0.129 0.000 1.011 5 A HN 0.533 nan 8.150 nan 0.000 0.494 6 F N 3.780 123.600 119.950 -0.216 0.000 2.539 6 F HA 0.434 4.935 4.527 -0.043 0.000 0.328 6 F C -0.700 174.971 175.800 -0.216 0.000 1.148 6 F CA -0.611 57.302 58.000 -0.145 0.000 0.940 6 F CB 1.316 40.319 39.000 0.007 0.000 1.194 6 F HN 0.622 nan 8.300 nan 0.000 0.438 7 H N 6.486 125.218 119.070 -0.563 0.000 2.641 7 H HA 0.338 4.868 4.556 -0.043 0.000 0.295 7 H C -2.515 172.332 175.328 -0.803 0.000 1.070 7 H CA -2.329 53.415 56.048 -0.506 0.000 1.257 7 H CB 0.890 30.495 29.762 -0.262 0.000 1.393 7 H HN 0.375 nan 8.280 nan 0.000 0.464 8 P HA 0.057 nan 4.420 nan 0.000 0.269 8 P C 1.140 178.344 177.300 -0.161 0.000 1.215 8 P CA 0.609 63.508 63.100 -0.335 0.000 0.780 8 P CB 0.704 32.393 31.700 -0.019 0.000 0.898 9 G N 0.195 108.944 108.800 -0.085 0.000 2.189 9 G HA2 -0.257 3.677 3.960 -0.043 0.000 0.267 9 G HA3 -0.257 3.677 3.960 -0.043 0.000 0.267 9 G C -0.033 174.830 174.900 -0.062 0.000 0.975 9 G CA 0.225 45.297 45.100 -0.047 0.000 0.644 9 G HN 0.588 nan 8.290 nan 0.000 0.537 10 E N -1.177 118.960 120.200 -0.105 0.000 2.339 10 E HA 0.670 4.994 4.350 -0.043 0.000 0.262 10 E C -0.734 175.817 176.600 -0.082 0.000 0.934 10 E CA -1.251 55.099 56.400 -0.084 0.000 0.802 10 E CB 1.856 31.509 29.700 -0.079 0.000 1.275 10 E HN 0.144 nan 8.360 nan 0.000 0.427 11 L N 2.380 123.570 121.223 -0.055 0.000 2.283 11 L HA 0.232 4.546 4.340 -0.043 0.000 0.287 11 L C -0.958 175.864 176.870 -0.081 0.000 1.073 11 L CA -0.001 54.813 54.840 -0.043 0.000 0.822 11 L CB 0.052 42.094 42.059 -0.028 0.000 1.186 11 L HN 0.356 nan 8.230 nan 0.000 0.436 12 N N 4.860 123.500 118.700 -0.100 0.000 2.425 12 N HA 0.300 5.014 4.740 -0.043 0.000 0.268 12 N C -1.188 174.094 175.510 -0.379 0.000 0.991 12 N CA -0.398 52.502 53.050 -0.250 0.000 0.931 12 N CB 2.115 40.503 38.487 -0.166 0.000 1.130 12 N HN 0.325 nan 8.380 nan 0.000 0.493 13 V N 3.794 123.448 119.914 -0.432 0.000 2.370 13 V HA 0.360 4.454 4.120 -0.043 0.000 0.283 13 V C -0.891 174.957 176.094 -0.410 0.000 1.023 13 V CA -0.591 61.538 62.300 -0.286 0.000 0.857 13 V CB -0.030 31.725 31.823 -0.114 0.000 0.985 13 V HN 0.465 nan 8.190 nan 0.000 0.443 14 Y N 2.082 122.467 120.300 0.142 0.000 2.393 14 Y HA 0.438 4.962 4.550 -0.045 0.000 0.341 14 Y C 1.195 177.237 175.900 0.238 0.000 0.988 14 Y CA -0.729 57.468 58.100 0.161 0.000 1.078 14 Y CB 2.303 40.846 38.460 0.139 0.000 1.203 14 Y HN 0.637 nan 8.280 nan 0.000 0.453 15 S N 0.460 116.347 115.700 0.313 0.000 2.499 15 S HA 0.384 4.828 4.470 -0.043 0.000 0.225 15 S C 0.851 175.613 174.600 0.269 0.000 1.050 15 S CA 0.117 58.442 58.200 0.207 0.000 0.928 15 S CB 0.043 63.302 63.200 0.098 0.000 0.803 15 S HN 0.617 nan 8.310 nan 0.000 0.506 16 A N 3.208 126.179 122.820 0.252 0.000 2.362 16 A HA 0.610 4.904 4.320 -0.043 0.000 0.276 16 A C -1.460 176.234 177.584 0.182 0.000 1.153 16 A CA -1.595 50.544 52.037 0.171 0.000 0.813 16 A CB 0.223 19.276 19.000 0.088 0.000 1.081 16 A HN 0.173 nan 8.150 nan 0.000 0.507 17 P HA -0.176 nan 4.420 nan 0.000 0.216 17 P C 1.752 178.951 177.300 -0.168 0.000 1.153 17 P CA 2.043 65.142 63.100 -0.001 0.000 0.858 17 P CB 0.177 31.904 31.700 0.046 0.000 0.789 18 G N -0.390 108.352 108.800 -0.097 0.000 2.442 18 G HA2 -0.261 3.673 3.960 -0.043 0.000 0.219 18 G HA3 -0.261 3.673 3.960 -0.043 0.000 0.219 18 G C 1.230 176.021 174.900 -0.181 0.000 1.141 18 G CA 0.971 45.996 45.100 -0.125 0.000 0.763 18 G HN 0.180 nan 8.290 nan 0.000 0.554 19 D N -0.128 120.168 120.400 -0.174 0.000 2.084 19 D HA -0.103 4.511 4.640 -0.043 0.000 0.194 19 D C 2.578 178.542 176.300 -0.561 0.000 0.990 19 D CA 0.896 54.722 54.000 -0.290 0.000 0.826 19 D CB -0.669 40.045 40.800 -0.144 0.000 0.971 19 D HN 0.129 nan 8.370 nan 0.000 0.453 20 V N 0.527 120.103 119.914 -0.563 0.000 2.515 20 V HA -0.159 3.935 4.120 -0.043 0.000 0.250 20 V C 2.135 177.930 176.094 -0.499 0.000 1.058 20 V CA 1.893 63.799 62.300 -0.656 0.000 1.064 20 V CB -0.416 30.955 31.823 -0.753 0.000 0.675 20 V HN 0.193 nan 8.190 nan 0.000 0.461 21 A N -0.380 122.191 122.820 -0.415 0.000 1.877 21 A HA -0.232 4.062 4.320 -0.043 0.000 0.216 21 A C 1.955 179.388 177.584 -0.252 0.000 1.186 21 A CA 2.069 53.928 52.037 -0.296 0.000 0.620 21 A CB -0.724 18.138 19.000 -0.230 0.000 0.822 21 A HN 0.589 nan 8.150 nan 0.000 0.443 22 D N -0.307 119.941 120.400 -0.254 0.000 2.097 22 D HA -0.100 4.514 4.640 -0.043 0.000 0.195 22 D C 2.106 178.262 176.300 -0.240 0.000 0.989 22 D CA 1.503 55.377 54.000 -0.211 0.000 0.827 22 D CB -0.518 40.170 40.800 -0.187 0.000 0.966 22 D HN 0.197 nan 8.370 nan 0.000 0.456 23 V N 1.176 120.891 119.914 -0.333 0.000 2.343 23 V HA -0.239 3.855 4.120 -0.043 0.000 0.247 23 V C 2.805 178.700 176.094 -0.332 0.000 1.051 23 V CA 2.171 64.258 62.300 -0.354 0.000 1.036 23 V CB -1.149 30.392 31.823 -0.470 0.000 0.654 23 V HN 0.276 nan 8.190 nan 0.000 0.451 24 S N -0.014 115.505 115.700 -0.303 0.000 2.359 24 S HA -0.279 4.165 4.470 -0.043 0.000 0.224 24 S C 2.177 176.662 174.600 -0.191 0.000 1.035 24 S CA 2.019 60.076 58.200 -0.237 0.000 1.018 24 S CB -0.428 62.648 63.200 -0.207 0.000 0.876 24 S HN 0.502 nan 8.310 nan 0.000 0.448 25 R N 0.539 120.934 120.500 -0.175 0.000 2.092 25 R HA 0.094 4.407 4.340 -0.043 0.000 0.231 25 R C 2.707 178.932 176.300 -0.125 0.000 1.119 25 R CA 1.164 57.185 56.100 -0.132 0.000 0.970 25 R CB -0.420 29.808 30.300 -0.119 0.000 0.864 25 R HN 0.496 nan 8.270 nan 0.000 0.440 26 A N 1.009 123.741 122.820 -0.146 0.000 1.902 26 A HA -0.147 4.147 4.320 -0.043 0.000 0.217 26 A C 2.130 179.631 177.584 -0.137 0.000 1.181 26 A CA 1.188 53.147 52.037 -0.129 0.000 0.623 26 A CB -0.550 18.368 19.000 -0.135 0.000 0.818 26 A HN 0.195 nan 8.150 nan 0.000 0.443 27 L N -1.315 119.791 121.223 -0.195 0.000 2.017 27 L HA -0.176 4.138 4.340 -0.043 0.000 0.208 27 L C 2.832 179.631 176.870 -0.119 0.000 1.073 27 L CA 1.733 56.456 54.840 -0.195 0.000 0.745 27 L CB -0.396 41.488 42.059 -0.292 0.000 0.894 27 L HN 0.413 nan 8.230 nan 0.000 0.432 28 R N 0.164 120.599 120.500 -0.108 0.000 2.096 28 R HA -0.155 4.159 4.340 -0.043 0.000 0.235 28 R C 2.252 178.518 176.300 -0.056 0.000 1.127 28 R CA 1.245 57.302 56.100 -0.072 0.000 0.968 28 R CB -0.173 30.086 30.300 -0.068 0.000 0.861 28 R HN 0.321 nan 8.270 nan 0.000 0.440 29 L N 0.081 121.266 121.223 -0.062 0.000 2.376 29 L HA -0.076 4.238 4.340 -0.043 0.000 0.219 29 L C 1.863 178.710 176.870 -0.038 0.000 1.133 29 L CA 1.358 56.169 54.840 -0.047 0.000 0.816 29 L CB -0.095 41.934 42.059 -0.050 0.000 0.933 29 L HN 0.361 nan 8.230 nan 0.000 0.449 30 T N -4.466 110.063 114.554 -0.042 0.000 3.122 30 T HA 0.296 4.620 4.350 -0.043 0.000 0.250 30 T C 1.319 176.008 174.700 -0.019 0.000 1.067 30 T CA 0.376 62.460 62.100 -0.027 0.000 0.966 30 T CB 0.653 69.507 68.868 -0.024 0.000 1.002 30 T HN 0.407 nan 8.240 nan 0.000 0.542 31 G N 1.686 110.472 108.800 -0.023 0.000 2.175 31 G HA2 -0.209 3.725 3.960 -0.043 0.000 0.244 31 G HA3 -0.209 3.725 3.960 -0.043 0.000 0.244 31 G C 0.189 175.082 174.900 -0.011 0.000 0.982 31 G CA -0.503 44.589 45.100 -0.013 0.000 0.641 31 G HN 0.591 nan 8.290 nan 0.000 0.527 32 R N 0.639 121.126 120.500 -0.020 0.000 2.490 32 R HA 0.438 4.752 4.340 -0.043 0.000 0.280 32 R C 0.566 176.855 176.300 -0.018 0.000 1.077 32 R CA -0.256 55.834 56.100 -0.016 0.000 1.065 32 R CB 0.540 30.822 30.300 -0.031 0.000 1.003 32 R HN 0.361 nan 8.270 nan 0.000 0.470 33 R N 1.085 121.584 120.500 -0.001 0.000 2.368 33 R HA 0.316 4.630 4.340 -0.043 0.000 0.302 33 R C -0.423 175.884 176.300 0.012 0.000 1.002 33 R CA -0.620 55.485 56.100 0.007 0.000 0.929 33 R CB 1.425 31.740 30.300 0.026 0.000 1.073 33 R HN 0.238 nan 8.270 nan 0.000 0.464 34 V N 5.211 125.129 119.914 0.007 0.000 2.383 34 V HA 0.290 4.384 4.120 -0.043 0.000 0.275 34 V C 0.111 176.240 176.094 0.058 0.000 1.036 34 V CA -0.403 61.902 62.300 0.007 0.000 0.889 34 V CB 1.418 33.223 31.823 -0.029 0.000 0.985 34 V HN 0.627 nan 8.190 nan 0.000 0.459 35 M N 5.967 125.618 119.600 0.086 0.000 2.294 35 M HA 0.511 4.965 4.480 -0.043 0.000 0.335 35 M C -0.882 175.502 176.300 0.140 0.000 1.079 35 M CA -0.785 54.626 55.300 0.185 0.000 0.982 35 M CB 1.479 34.182 32.600 0.172 0.000 1.651 35 M HN 0.484 nan 8.290 nan 0.000 0.437 36 L N 4.394 125.727 121.223 0.183 0.000 2.296 36 L HA 0.616 4.929 4.340 -0.043 0.000 0.286 36 L C -1.028 175.916 176.870 0.123 0.000 1.023 36 L CA -0.388 54.522 54.840 0.116 0.000 0.812 36 L CB 1.503 43.605 42.059 0.073 0.000 1.223 36 L HN 0.481 nan 8.230 nan 0.000 0.421 37 V N 6.898 126.843 119.914 0.052 0.000 2.284 37 V HA 0.445 4.538 4.120 -0.043 0.000 0.274 37 V C -2.285 173.801 176.094 -0.014 0.000 1.023 37 V CA -1.277 61.018 62.300 -0.008 0.000 0.808 37 V CB 0.948 32.766 31.823 -0.008 0.000 1.035 37 V HN 0.700 nan 8.190 nan 0.000 0.445 38 P HA 0.467 nan 4.420 nan 0.000 0.293 38 P C -0.267 177.093 177.300 0.099 0.000 1.300 38 P CA -0.017 63.108 63.100 0.043 0.000 0.792 38 P CB 1.427 33.183 31.700 0.092 0.000 0.925 39 T N -0.602 114.022 114.554 0.116 0.000 2.887 39 T HA 0.547 4.871 4.350 -0.043 0.000 0.292 39 T C 0.501 175.268 174.700 0.111 0.000 1.087 39 T CA -0.884 61.289 62.100 0.121 0.000 1.009 39 T CB 1.100 69.952 68.868 -0.028 0.000 1.203 39 T HN 0.162 nan 8.240 nan 0.000 0.518 40 M N 1.458 121.133 119.600 0.125 0.000 2.560 40 M HA 0.356 4.810 4.480 -0.043 0.000 0.297 40 M C 1.177 177.566 176.300 0.148 0.000 1.201 40 M CA 0.083 55.441 55.300 0.095 0.000 0.973 40 M CB -0.335 32.265 32.600 0.000 0.000 1.401 40 M HN 1.226 nan 8.290 nan 0.000 0.497 41 G N 1.310 110.122 108.800 0.019 0.000 2.642 41 G HA2 -0.075 3.859 3.960 -0.043 0.000 0.231 41 G HA3 -0.075 3.859 3.960 -0.043 0.000 0.231 41 G C 0.156 175.029 174.900 -0.045 0.000 1.338 41 G CA -0.162 44.918 45.100 -0.034 0.000 0.883 41 G HN 1.083 nan 8.290 nan 0.000 0.570 42 A N -1.904 120.905 122.820 -0.017 0.000 2.519 42 A HA -0.029 4.265 4.320 -0.043 0.000 0.297 42 A C 0.720 178.275 177.584 -0.048 0.000 1.472 42 A CA 1.722 53.755 52.037 -0.006 0.000 0.739 42 A CB -2.004 17.009 19.000 0.021 0.000 1.096 42 A HN 1.834 nan 8.150 nan 0.000 0.414 43 L N 0.965 122.099 121.223 -0.149 0.000 2.426 43 L HA 0.574 4.888 4.340 -0.043 0.000 0.271 43 L C 0.903 177.805 176.870 0.054 0.000 1.169 43 L CA 0.052 54.749 54.840 -0.238 0.000 0.836 43 L CB 0.449 42.379 42.059 -0.215 0.000 1.112 43 L HN 0.849 nan 8.230 nan 0.000 0.465 44 H N -1.013 118.266 119.070 0.349 0.000 2.949 44 H HA 0.284 4.813 4.556 -0.044 0.000 0.310 44 H C 0.276 175.694 175.328 0.150 0.000 1.405 44 H CA -1.010 55.150 56.048 0.186 0.000 1.253 44 H CB 0.583 30.426 29.762 0.135 0.000 1.932 44 H HN 0.424 nan 8.280 nan 0.000 0.602 45 E N 0.192 120.585 120.200 0.322 0.000 2.267 45 E HA -0.067 4.257 4.350 -0.043 0.000 0.197 45 E C 2.038 178.760 176.600 0.203 0.000 0.998 45 E CA 1.840 58.354 56.400 0.191 0.000 0.830 45 E CB -0.778 28.991 29.700 0.116 0.000 0.751 45 E HN 0.805 nan 8.360 nan 0.000 0.491 46 G N -0.815 108.218 108.800 0.388 0.000 2.421 46 G HA2 -0.285 3.649 3.960 -0.043 0.000 0.216 46 G HA3 -0.285 3.649 3.960 -0.043 0.000 0.216 46 G C 1.112 176.023 174.900 0.018 0.000 1.171 46 G CA 1.079 46.307 45.100 0.212 0.000 0.775 46 G HN 0.420 nan 8.290 nan 0.000 0.543 47 H N 0.251 119.288 119.070 -0.055 0.000 2.353 47 H HA 0.055 4.584 4.556 -0.044 0.000 0.300 47 H C 2.599 177.904 175.328 -0.037 0.000 1.090 47 H CA 1.191 57.181 56.048 -0.096 0.000 1.327 47 H CB -0.136 29.501 29.762 -0.209 0.000 1.383 47 H HN 0.224 nan 8.280 nan 0.000 0.508 48 L N -0.016 121.268 121.223 0.102 0.000 2.131 48 L HA -0.152 4.162 4.340 -0.043 0.000 0.210 48 L C 2.737 179.622 176.870 0.026 0.000 1.092 48 L CA 0.744 55.615 54.840 0.053 0.000 0.759 48 L CB -0.602 41.489 42.059 0.054 0.000 0.903 48 L HN 0.370 nan 8.230 nan 0.000 0.435 49 A N 0.581 123.425 122.820 0.040 0.000 1.933 49 A HA -0.160 4.134 4.320 -0.043 0.000 0.218 49 A C 2.267 179.853 177.584 0.002 0.000 1.175 49 A CA 1.355 53.409 52.037 0.028 0.000 0.628 49 A CB -0.587 18.443 19.000 0.051 0.000 0.814 49 A HN 0.365 nan 8.150 nan 0.000 0.444 50 L N -0.686 120.543 121.223 0.010 0.000 2.017 50 L HA -0.163 4.151 4.340 -0.043 0.000 0.208 50 L C 2.528 179.277 176.870 -0.201 0.000 1.073 50 L CA 1.213 56.036 54.840 -0.028 0.000 0.745 50 L CB -0.905 41.178 42.059 0.041 0.000 0.894 50 L HN 0.231 nan 8.230 nan 0.000 0.432 51 V N 0.131 119.969 119.914 -0.127 0.000 2.287 51 V HA -0.299 3.795 4.120 -0.043 0.000 0.248 51 V C 2.679 178.662 176.094 -0.185 0.000 1.053 51 V CA 1.862 64.066 62.300 -0.159 0.000 1.027 51 V CB -0.637 31.146 31.823 -0.067 0.000 0.646 51 V HN 0.415 nan 8.190 nan 0.000 0.447 52 R N -0.072 120.358 120.500 -0.116 0.000 2.096 52 R HA -0.116 4.198 4.340 -0.043 0.000 0.235 52 R C 2.413 178.638 176.300 -0.126 0.000 1.127 52 R CA 1.409 57.455 56.100 -0.090 0.000 0.968 52 R CB -0.584 29.693 30.300 -0.038 0.000 0.861 52 R HN 0.555 nan 8.270 nan 0.000 0.440 53 A N 1.259 123.978 122.820 -0.169 0.000 1.877 53 A HA -0.120 4.174 4.320 -0.043 0.000 0.216 53 A C 2.382 179.743 177.584 -0.372 0.000 1.186 53 A CA 1.677 53.614 52.037 -0.166 0.000 0.620 53 A CB -0.701 18.268 19.000 -0.051 0.000 0.822 53 A HN 0.392 nan 8.150 nan 0.000 0.443 54 A N -0.466 121.858 122.820 -0.827 0.000 1.877 54 A HA -0.165 4.129 4.320 -0.043 0.000 0.216 54 A C 2.130 179.541 177.584 -0.288 0.000 1.186 54 A CA 1.781 53.294 52.037 -0.874 0.000 0.620 54 A CB -0.433 18.022 19.000 -0.908 0.000 0.822 54 A HN 0.387 nan 8.150 nan 0.000 0.443 55 K N -0.441 119.836 120.400 -0.206 0.000 2.152 55 K HA -0.104 4.190 4.320 -0.043 0.000 0.206 55 K C 2.073 178.645 176.600 -0.047 0.000 1.048 55 K CA 1.210 57.443 56.287 -0.090 0.000 0.933 55 K CB -0.215 32.244 32.500 -0.068 0.000 0.721 55 K HN 0.455 nan 8.250 nan 0.000 0.447 56 R N 0.517 120.989 120.500 -0.047 0.000 2.189 56 R HA -0.014 4.300 4.340 -0.043 0.000 0.223 56 R C 0.446 176.759 176.300 0.023 0.000 1.092 56 R CA 0.159 56.256 56.100 -0.004 0.000 0.989 56 R CB 0.051 30.355 30.300 0.008 0.000 0.876 56 R HN -0.096 nan 8.270 nan 0.000 0.457 57 V N 3.647 123.581 119.914 0.034 0.000 2.479 57 V HA 0.068 4.162 4.120 -0.043 0.000 0.281 57 V C -2.081 174.039 176.094 0.043 0.000 1.031 57 V CA -1.497 60.842 62.300 0.065 0.000 1.038 57 V CB 0.676 32.568 31.823 0.115 0.000 0.981 57 V HN 0.014 nan 8.190 nan 0.000 0.478 58 P HA 0.146 nan 4.420 nan 0.000 0.261 58 P C 0.962 178.280 177.300 0.029 0.000 1.183 58 P CA 1.391 64.509 63.100 0.030 0.000 0.761 58 P CB 0.390 32.107 31.700 0.027 0.000 0.785 59 G N 2.220 111.036 108.800 0.026 0.000 2.148 59 G HA2 -0.253 3.681 3.960 -0.043 0.000 0.254 59 G HA3 -0.253 3.681 3.960 -0.043 0.000 0.254 59 G C 0.311 175.227 174.900 0.027 0.000 0.981 59 G CA 0.229 45.344 45.100 0.026 0.000 0.670 59 G HN 0.744 nan 8.290 nan 0.000 0.528 60 S N -1.194 114.524 115.700 0.029 0.000 2.572 60 S HA 0.550 4.994 4.470 -0.043 0.000 0.279 60 S C 0.332 174.951 174.600 0.031 0.000 1.341 60 S CA 0.016 58.234 58.200 0.030 0.000 1.043 60 S CB 2.533 65.749 63.200 0.026 0.000 0.887 60 S HN 1.586 nan 8.310 nan 0.000 0.516 61 V N 3.413 123.343 119.914 0.027 0.000 2.459 61 V HA 0.592 4.686 4.120 -0.043 0.000 0.295 61 V C -0.731 175.384 176.094 0.034 0.000 1.029 61 V CA -0.720 61.604 62.300 0.041 0.000 0.874 61 V CB 1.672 33.499 31.823 0.008 0.000 0.985 61 V HN 0.879 nan 8.190 nan 0.000 0.438 62 V N 7.220 127.161 119.914 0.046 0.000 2.394 62 V HA 0.455 4.549 4.120 -0.043 0.000 0.282 62 V C -0.151 175.977 176.094 0.057 0.000 1.031 62 V CA -0.498 61.816 62.300 0.024 0.000 0.881 62 V CB 1.680 33.490 31.823 -0.022 0.000 0.982 62 V HN 0.666 nan 8.190 nan 0.000 0.451 63 V N 6.014 125.962 119.914 0.057 0.000 2.347 63 V HA 0.394 4.487 4.120 -0.043 0.000 0.280 63 V C -0.055 176.093 176.094 0.089 0.000 1.021 63 V CA -0.525 61.827 62.300 0.088 0.000 0.847 63 V CB 1.713 33.578 31.823 0.069 0.000 0.990 63 V HN 0.603 nan 8.190 nan 0.000 0.444 64 V N 4.959 124.933 119.914 0.101 0.000 2.370 64 V HA 0.450 4.544 4.120 -0.043 0.000 0.283 64 V C 0.416 176.590 176.094 0.134 0.000 1.023 64 V CA -0.316 62.034 62.300 0.084 0.000 0.857 64 V CB 1.981 33.830 31.823 0.043 0.000 0.985 64 V HN 0.996 nan 8.190 nan 0.000 0.443 65 S N 6.035 121.820 115.700 0.142 0.000 2.508 65 S HA 0.786 5.230 4.470 -0.043 0.000 0.284 65 S C -0.732 173.915 174.600 0.078 0.000 1.192 65 S CA -0.620 57.672 58.200 0.154 0.000 1.070 65 S CB 1.268 64.609 63.200 0.235 0.000 1.004 65 S HN 0.499 nan 8.310 nan 0.000 0.493 66 I N 3.354 123.945 120.570 0.036 0.000 2.439 66 I HA 0.548 4.692 4.170 -0.043 0.000 0.285 66 I C -1.363 174.821 176.117 0.111 0.000 1.021 66 I CA -0.482 60.847 61.300 0.048 0.000 1.091 66 I CB 1.492 39.503 38.000 0.017 0.000 1.242 66 I HN 0.750 nan 8.210 nan 0.000 0.439 67 F N 7.021 126.936 119.950 -0.058 0.000 2.722 67 F HA 0.395 4.895 4.527 -0.045 0.000 0.336 67 F C -1.333 174.461 175.800 -0.010 0.000 1.216 67 F CA -0.696 57.266 58.000 -0.063 0.000 1.065 67 F CB 1.202 40.133 39.000 -0.116 0.000 1.325 67 F HN -0.003 nan 8.300 nan 0.000 0.524 68 V N 5.470 125.086 119.914 -0.496 0.000 2.370 68 V HA 0.124 4.218 4.120 -0.043 0.000 0.257 68 V C 0.097 175.719 176.094 -0.787 0.000 1.064 68 V CA -0.367 61.641 62.300 -0.487 0.000 0.975 68 V CB 0.381 32.015 31.823 -0.315 0.000 1.067 68 V HN 0.658 nan 8.190 nan 0.000 0.485 69 N N 8.136 126.523 118.700 -0.522 0.000 2.401 69 N HA 0.232 4.946 4.740 -0.043 0.000 0.255 69 N C -1.524 173.978 175.510 -0.012 0.000 1.110 69 N CA -1.862 50.959 53.050 -0.381 0.000 0.949 69 N CB 1.552 40.038 38.487 -0.003 0.000 1.110 69 N HN 0.212 nan 8.380 nan 0.000 0.490 70 P HA -0.106 nan 4.420 nan 0.000 0.222 70 P C 1.008 178.351 177.300 0.073 0.000 1.147 70 P CA 1.097 64.209 63.100 0.019 0.000 0.790 70 P CB 0.163 31.821 31.700 -0.071 0.000 0.780 71 M N -0.605 118.974 119.600 -0.034 0.000 2.562 71 M HA -0.025 4.429 4.480 -0.043 0.000 0.257 71 M C 1.710 177.976 176.300 -0.058 0.000 1.099 71 M CA 1.177 56.418 55.300 -0.098 0.000 1.099 71 M CB -1.327 31.143 32.600 -0.217 0.000 1.427 71 M HN 0.187 nan 8.290 nan 0.000 0.489 72 Q N -0.860 118.892 119.800 -0.080 0.000 2.280 72 Q HA 0.179 4.493 4.340 -0.043 0.000 0.201 72 Q C -0.442 175.375 176.000 -0.305 0.000 0.890 72 Q CA 0.060 55.697 55.803 -0.277 0.000 0.947 72 Q CB 0.101 28.540 28.738 -0.498 0.000 1.081 72 Q HN 0.230 nan 8.270 nan 0.000 0.502 73 F N 0.367 120.293 119.950 -0.040 0.000 2.483 73 F HA 0.727 5.229 4.527 -0.042 0.000 0.329 73 F C 0.813 176.597 175.800 -0.028 0.000 1.064 73 F CA -0.658 57.330 58.000 -0.020 0.000 0.986 73 F CB 1.664 40.636 39.000 -0.046 0.000 1.218 73 F HN -0.006 nan 8.300 nan 0.000 0.484 74 G N -0.240 108.665 108.800 0.175 0.000 2.644 74 G HA2 0.629 4.563 3.960 -0.043 0.000 0.307 74 G HA3 0.629 4.563 3.960 -0.043 0.000 0.307 74 G C -1.114 173.830 174.900 0.073 0.000 1.250 74 G CA -0.914 44.238 45.100 0.086 0.000 0.996 74 G HN 0.869 nan 8.290 nan 0.000 0.489 75 A N -1.657 121.184 122.820 0.036 0.000 2.547 75 A HA 0.503 4.797 4.320 -0.043 0.000 0.233 75 A C 1.425 179.023 177.584 0.022 0.000 1.067 75 A CA 1.539 53.588 52.037 0.019 0.000 0.763 75 A CB -0.145 18.860 19.000 0.009 0.000 1.007 75 A HN 2.551 nan 8.150 nan 0.000 0.506 76 G N -0.891 107.915 108.800 0.010 0.000 2.273 76 G HA2 0.355 4.289 3.960 -0.043 0.000 0.162 76 G HA3 0.355 4.289 3.960 -0.043 0.000 0.162 76 G C 1.356 176.256 174.900 -0.001 0.000 1.006 76 G CA 0.779 45.883 45.100 0.007 0.000 0.704 76 G HN 2.705 nan 8.290 nan 0.000 0.487 77 G N -0.240 108.554 108.800 -0.009 0.000 2.213 77 G HA2 -0.245 3.689 3.960 -0.043 0.000 0.226 77 G HA3 -0.245 3.689 3.960 -0.043 0.000 0.226 77 G C 0.741 175.618 174.900 -0.038 0.000 0.992 77 G CA 0.938 46.020 45.100 -0.031 0.000 0.632 77 G HN 0.507 nan 8.290 nan 0.000 0.511 78 D N -0.011 120.396 120.400 0.011 0.000 2.149 78 D HA -0.031 4.583 4.640 -0.043 0.000 0.198 78 D C 2.426 178.649 176.300 -0.130 0.000 0.990 78 D CA 1.339 55.386 54.000 0.079 0.000 0.839 78 D CB -0.106 40.873 40.800 0.298 0.000 0.948 78 D HN 0.432 nan 8.370 nan 0.000 0.460 79 L N 0.835 121.823 121.223 -0.392 0.000 2.027 79 L HA -0.113 4.201 4.340 -0.043 0.000 0.206 79 L C 1.355 177.981 176.870 -0.408 0.000 1.074 79 L CA 1.847 56.176 54.840 -0.851 0.000 0.745 79 L CB -0.523 41.150 42.059 -0.643 0.000 0.898 79 L HN -0.122 nan 8.230 nan 0.000 0.433 80 D N -0.194 120.077 120.400 -0.214 0.000 2.178 80 D HA -0.084 4.530 4.640 -0.043 0.000 0.202 80 D C 2.059 178.318 176.300 -0.068 0.000 0.974 80 D CA 1.337 55.266 54.000 -0.119 0.000 0.841 80 D CB 0.031 40.782 40.800 -0.082 0.000 0.953 80 D HN 0.511 nan 8.370 nan 0.000 0.478 81 A N -0.125 122.657 122.820 -0.064 0.000 2.119 81 A HA -0.099 4.195 4.320 -0.043 0.000 0.216 81 A C 0.775 178.372 177.584 0.022 0.000 1.152 81 A CA -0.102 51.910 52.037 -0.043 0.000 0.708 81 A CB -0.570 18.376 19.000 -0.090 0.000 0.805 81 A HN 0.183 nan 8.150 nan 0.000 0.460 82 Y N 2.305 122.561 120.300 -0.074 0.000 2.810 82 Y HA 0.160 4.684 4.550 -0.044 0.000 0.332 82 Y C -1.892 174.054 175.900 0.075 0.000 1.243 82 Y CA -1.910 56.205 58.100 0.025 0.000 1.537 82 Y CB 0.368 38.803 38.460 -0.041 0.000 1.265 82 Y HN 0.190 nan 8.280 nan 0.000 0.572 83 P HA 0.114 nan 4.420 nan 0.000 0.268 83 P C -1.276 176.042 177.300 0.030 0.000 1.204 83 P CA 0.217 63.271 63.100 -0.076 0.000 0.768 83 P CB 0.593 32.195 31.700 -0.164 0.000 0.842 84 R N 1.532 122.063 120.500 0.052 0.000 2.483 84 R HA 0.467 4.781 4.340 -0.043 0.000 0.303 84 R C -0.198 176.120 176.300 0.030 0.000 0.987 84 R CA -0.447 55.692 56.100 0.064 0.000 0.881 84 R CB 1.517 31.855 30.300 0.065 0.000 1.177 84 R HN 0.455 nan 8.270 nan 0.000 0.451 85 T N -0.605 113.962 114.554 0.022 0.000 3.658 85 T HA 0.248 4.572 4.350 -0.043 0.000 0.245 85 T C -2.281 172.422 174.700 0.005 0.000 1.292 85 T CA -1.637 60.467 62.100 0.007 0.000 1.598 85 T CB 1.040 69.907 68.868 -0.002 0.000 0.861 85 T HN 0.161 nan 8.240 nan 0.000 0.663 86 P HA -0.090 nan 4.420 nan 0.000 0.215 86 P C 1.299 178.599 177.300 0.000 0.000 1.153 86 P CA 1.091 64.194 63.100 0.006 0.000 0.853 86 P CB 0.188 31.894 31.700 0.010 0.000 0.788 87 D N -0.534 119.866 120.400 0.000 0.000 2.097 87 D HA -0.143 4.471 4.640 -0.043 0.000 0.197 87 D C 1.423 177.720 176.300 -0.004 0.000 0.984 87 D CA 1.174 55.173 54.000 -0.002 0.000 0.826 87 D CB -0.529 40.270 40.800 -0.001 0.000 0.973 87 D HN 0.161 nan 8.370 nan 0.000 0.460 88 D N 1.055 121.453 120.400 -0.003 0.000 2.117 88 D HA -0.125 4.489 4.640 -0.043 0.000 0.197 88 D C 1.599 177.894 176.300 -0.007 0.000 0.987 88 D CA 0.808 54.806 54.000 -0.003 0.000 0.829 88 D CB -0.333 40.466 40.800 -0.001 0.000 0.961 88 D HN 0.137 nan 8.370 nan 0.000 0.460 89 D N 0.496 120.888 120.400 -0.013 0.000 2.103 89 D HA -0.129 4.485 4.640 -0.043 0.000 0.190 89 D C 2.356 178.645 176.300 -0.019 0.000 0.997 89 D CA 0.588 54.572 54.000 -0.026 0.000 0.833 89 D CB -0.491 40.290 40.800 -0.032 0.000 0.961 89 D HN 0.213 nan 8.370 nan 0.000 0.447 90 L N 0.485 121.701 121.223 -0.012 0.000 2.083 90 L HA -0.129 4.185 4.340 -0.043 0.000 0.209 90 L C 2.519 179.384 176.870 -0.009 0.000 1.083 90 L CA 0.931 55.765 54.840 -0.010 0.000 0.752 90 L CB -0.455 41.598 42.059 -0.009 0.000 0.899 90 L HN -0.011 nan 8.230 nan 0.000 0.433 91 A N -0.175 122.641 122.820 -0.008 0.000 1.883 91 A HA -0.271 4.023 4.320 -0.043 0.000 0.217 91 A C 2.208 179.789 177.584 -0.004 0.000 1.186 91 A CA 1.677 53.711 52.037 -0.006 0.000 0.624 91 A CB -0.516 18.482 19.000 -0.004 0.000 0.822 91 A HN 0.482 nan 8.150 nan 0.000 0.444 92 Q N -0.484 119.314 119.800 -0.003 0.000 2.135 92 Q HA -0.129 4.185 4.340 -0.043 0.000 0.204 92 Q C 2.130 178.129 176.000 -0.001 0.000 0.981 92 Q CA 1.464 57.267 55.803 0.001 0.000 0.856 92 Q CB -0.372 28.368 28.738 0.003 0.000 0.902 92 Q HN 0.709 nan 8.270 nan 0.000 0.425 93 L N 0.082 121.302 121.223 -0.005 0.000 2.056 93 L HA -0.164 4.150 4.340 -0.043 0.000 0.207 93 L C 2.557 179.426 176.870 -0.002 0.000 1.078 93 L CA 1.060 55.899 54.840 -0.003 0.000 0.749 93 L CB -0.470 41.589 42.059 -0.000 0.000 0.901 93 L HN 0.184 nan 8.230 nan 0.000 0.433 94 R N 0.299 120.796 120.500 -0.006 0.000 2.083 94 R HA -0.173 4.141 4.340 -0.043 0.000 0.237 94 R C 2.443 178.739 176.300 -0.007 0.000 1.137 94 R CA 1.508 57.603 56.100 -0.009 0.000 0.951 94 R CB -0.618 29.674 30.300 -0.012 0.000 0.851 94 R HN 0.360 nan 8.270 nan 0.000 0.434 95 A N 1.408 124.225 122.820 -0.004 0.000 1.940 95 A HA -0.171 4.123 4.320 -0.043 0.000 0.219 95 A C 1.731 179.313 177.584 -0.002 0.000 1.176 95 A CA 1.415 53.451 52.037 -0.003 0.000 0.631 95 A CB -0.202 18.798 19.000 0.000 0.000 0.814 95 A HN 0.205 nan 8.150 nan 0.000 0.446 96 E N -1.303 118.896 120.200 -0.002 0.000 2.502 96 E HA 0.163 4.487 4.350 -0.043 0.000 0.194 96 E C 1.226 177.823 176.600 -0.004 0.000 1.062 96 E CA 0.658 57.056 56.400 -0.003 0.000 0.867 96 E CB -0.260 29.438 29.700 -0.005 0.000 0.888 96 E HN 0.820 nan 8.360 nan 0.000 0.510 97 G N 1.294 110.092 108.800 -0.002 0.000 2.143 97 G HA2 -0.291 3.643 3.960 -0.043 0.000 0.248 97 G HA3 -0.291 3.643 3.960 -0.043 0.000 0.248 97 G C 0.477 175.383 174.900 0.009 0.000 0.991 97 G CA 0.370 45.471 45.100 0.001 0.000 0.689 97 G HN 0.191 nan 8.290 nan 0.000 0.522 98 V N 0.343 120.263 119.914 0.010 0.000 2.599 98 V HA 0.134 4.228 4.120 -0.043 0.000 0.300 98 V C 1.482 177.603 176.094 0.045 0.000 1.034 98 V CA 1.306 63.622 62.300 0.026 0.000 1.115 98 V CB 1.208 33.043 31.823 0.020 0.000 0.934 98 V HN 0.563 nan 8.190 nan 0.000 0.485 99 E N 4.094 124.349 120.200 0.091 0.000 2.400 99 E HA 0.269 4.593 4.350 -0.043 0.000 0.195 99 E C -0.142 176.583 176.600 0.208 0.000 1.012 99 E CA 0.422 56.904 56.400 0.137 0.000 0.875 99 E CB 0.509 30.358 29.700 0.249 0.000 0.859 99 E HN 0.614 nan 8.360 nan 0.000 0.498 100 I N 0.863 121.551 120.570 0.195 0.000 2.534 100 I HA 0.387 4.531 4.170 -0.043 0.000 0.288 100 I C -0.971 175.243 176.117 0.163 0.000 1.077 100 I CA -0.903 60.532 61.300 0.224 0.000 1.051 100 I CB 2.043 40.226 38.000 0.305 0.000 1.234 100 I HN -0.131 nan 8.210 nan 0.000 0.425 101 A N 5.978 128.880 122.820 0.137 0.000 2.330 101 A HA 0.761 5.055 4.320 -0.043 0.000 0.327 101 A C -1.330 176.412 177.584 0.264 0.000 1.155 101 A CA -0.341 51.783 52.037 0.145 0.000 0.803 101 A CB 1.044 20.084 19.000 0.065 0.000 1.208 101 A HN 0.541 nan 8.150 nan 0.000 0.477 102 F N 3.281 123.283 119.950 0.088 0.000 2.403 102 F HA 0.555 5.055 4.527 -0.046 0.000 0.355 102 F C 0.310 176.152 175.800 0.069 0.000 1.119 102 F CA -0.829 57.230 58.000 0.099 0.000 1.007 102 F CB 1.818 40.864 39.000 0.077 0.000 1.194 102 F HN 0.454 nan 8.300 nan 0.000 0.443 103 T N 5.263 119.723 114.554 -0.157 0.000 3.466 103 T HA 0.435 4.759 4.350 -0.043 0.000 0.297 103 T C -2.960 171.566 174.700 -0.289 0.000 1.640 103 T CA -1.829 60.149 62.100 -0.204 0.000 1.631 103 T CB 0.353 69.203 68.868 -0.031 0.000 0.928 103 T HN 0.355 nan 8.240 nan 0.000 0.688 104 P HA 0.221 nan 4.420 nan 0.000 0.274 104 P C 0.464 177.642 177.300 -0.203 0.000 1.237 104 P CA 0.006 62.805 63.100 -0.502 0.000 0.793 104 P CB 0.798 31.952 31.700 -0.909 0.000 0.977 105 T N -2.162 112.336 114.554 -0.094 0.000 2.882 105 T HA 0.155 4.479 4.350 -0.043 0.000 0.287 105 T C 1.394 176.153 174.700 0.099 0.000 1.014 105 T CA -0.194 61.934 62.100 0.047 0.000 1.049 105 T CB -0.250 68.644 68.868 0.044 0.000 1.001 105 T HN 0.296 nan 8.240 nan 0.000 0.525 106 T N 1.663 116.391 114.554 0.290 0.000 2.720 106 T HA -0.072 4.252 4.350 -0.043 0.000 0.268 106 T C 2.368 177.210 174.700 0.236 0.000 1.037 106 T CA 1.524 63.864 62.100 0.401 0.000 1.144 106 T CB -0.825 68.239 68.868 0.326 0.000 0.864 106 T HN 0.825 nan 8.240 nan 0.000 0.444 107 A N 1.227 124.131 122.820 0.140 0.000 1.972 107 A HA 0.169 4.463 4.320 -0.043 0.000 0.219 107 A C 2.586 180.195 177.584 0.042 0.000 1.169 107 A CA 1.756 53.851 52.037 0.096 0.000 0.635 107 A CB -0.912 18.130 19.000 0.069 0.000 0.810 107 A HN 0.515 nan 8.150 nan 0.000 0.446 108 A N -1.226 121.590 122.820 -0.006 0.000 1.968 108 A HA 0.006 4.300 4.320 -0.043 0.000 0.217 108 A C 2.126 179.631 177.584 -0.133 0.000 1.169 108 A CA 1.666 53.673 52.037 -0.051 0.000 0.638 108 A CB -0.345 18.626 19.000 -0.049 0.000 0.812 108 A HN 0.420 nan 8.150 nan 0.000 0.446 109 M N -1.993 117.457 119.600 -0.250 0.000 2.287 109 M HA 0.090 4.544 4.480 -0.043 0.000 0.266 109 M C -0.014 175.944 176.300 -0.570 0.000 1.079 109 M CA 1.135 56.123 55.300 -0.520 0.000 1.146 109 M CB -0.689 31.373 32.600 -0.897 0.000 1.374 109 M HN 0.450 nan 8.290 nan 0.000 0.435 110 Y N 0.102 120.423 120.300 0.035 0.000 2.480 110 Y HA 0.285 4.809 4.550 -0.044 0.000 0.356 110 Y C -1.488 174.437 175.900 0.041 0.000 0.922 110 Y CA -2.261 55.872 58.100 0.055 0.000 1.146 110 Y CB -0.418 38.097 38.460 0.092 0.000 1.185 110 Y HN 0.136 nan 8.280 nan 0.000 0.624 111 P HA -0.110 nan 4.420 nan 0.000 0.222 111 P C 0.226 177.577 177.300 0.085 0.000 1.147 111 P CA 1.500 64.648 63.100 0.080 0.000 0.790 111 P CB 0.578 32.302 31.700 0.039 0.000 0.780 112 D N -0.611 119.849 120.400 0.101 0.000 2.424 112 D HA 0.214 4.828 4.640 -0.043 0.000 0.220 112 D C 1.335 177.691 176.300 0.093 0.000 1.150 112 D CA 0.419 54.468 54.000 0.082 0.000 0.831 112 D CB 0.687 41.526 40.800 0.065 0.000 0.981 112 D HN 0.111 nan 8.370 nan 0.000 0.500 113 G N 1.545 110.421 108.800 0.126 0.000 2.575 113 G HA2 -0.305 3.629 3.960 -0.043 0.000 0.267 113 G HA3 -0.305 3.629 3.960 -0.043 0.000 0.267 113 G C -0.173 174.781 174.900 0.090 0.000 1.264 113 G CA -0.639 44.515 45.100 0.090 0.000 0.935 113 G HN 0.295 nan 8.290 nan 0.000 0.568 114 L N 1.359 122.587 121.223 0.009 0.000 2.315 114 L HA 0.497 4.811 4.340 -0.043 0.000 0.283 114 L C 1.342 178.239 176.870 0.044 0.000 1.089 114 L CA 0.138 54.987 54.840 0.015 0.000 0.833 114 L CB 1.178 43.215 42.059 -0.038 0.000 1.170 114 L HN 0.847 nan 8.230 nan 0.000 0.442 115 R N 1.324 121.867 120.500 0.071 0.000 2.588 115 R HA 0.269 4.583 4.340 -0.043 0.000 0.115 115 R C -0.199 176.134 176.300 0.056 0.000 1.578 115 R CA -0.312 55.821 56.100 0.056 0.000 1.329 115 R CB 0.506 30.840 30.300 0.056 0.000 1.152 115 R HN 0.497 nan 8.270 nan 0.000 0.437 116 T N 1.962 116.551 114.554 0.058 0.000 2.901 116 T HA 0.283 4.607 4.350 -0.043 0.000 0.301 116 T C -0.118 174.628 174.700 0.076 0.000 1.012 116 T CA 0.015 62.145 62.100 0.051 0.000 1.135 116 T CB 1.161 70.048 68.868 0.032 0.000 0.936 116 T HN 0.581 nan 8.240 nan 0.000 0.539 117 T N -1.226 113.373 114.554 0.076 0.000 2.865 117 T HA 0.630 4.954 4.350 -0.043 0.000 0.294 117 T C -0.538 174.232 174.700 0.117 0.000 1.119 117 T CA -0.899 61.260 62.100 0.100 0.000 1.007 117 T CB 0.964 69.881 68.868 0.083 0.000 1.225 117 T HN 0.271 nan 8.240 nan 0.000 0.515 118 V N 2.044 122.044 119.914 0.143 0.000 2.432 118 V HA 0.480 4.574 4.120 -0.043 0.000 0.275 118 V C 0.012 176.177 176.094 0.119 0.000 1.043 118 V CA -0.447 61.965 62.300 0.186 0.000 0.925 118 V CB 1.007 32.954 31.823 0.207 0.000 0.985 118 V HN 0.962 nan 8.190 nan 0.000 0.466 119 Q N 7.411 127.283 119.800 0.120 0.000 2.390 119 Q HA 0.451 4.765 4.340 -0.043 0.000 0.249 119 Q C -2.503 173.514 176.000 0.029 0.000 0.996 119 Q CA -1.332 54.514 55.803 0.071 0.000 0.899 119 Q CB 1.198 29.980 28.738 0.073 0.000 1.216 119 Q HN 0.538 nan 8.270 nan 0.000 0.465 120 P HA 0.280 nan 4.420 nan 0.000 0.273 120 P C -0.020 177.249 177.300 -0.051 0.000 1.250 120 P CA -0.376 62.692 63.100 -0.054 0.000 0.793 120 P CB 0.634 32.311 31.700 -0.038 0.000 1.011 121 G N 0.717 109.464 108.800 -0.089 0.000 2.631 121 G HA2 0.144 4.078 3.960 -0.043 0.000 0.271 121 G HA3 0.144 4.078 3.960 -0.043 0.000 0.271 121 G C -1.592 173.271 174.900 -0.061 0.000 1.302 121 G CA -0.740 44.317 45.100 -0.073 0.000 1.002 121 G HN 0.321 nan 8.290 nan 0.000 0.519 122 P HA -0.085 nan 4.420 nan 0.000 0.221 122 P C 1.994 179.262 177.300 -0.054 0.000 1.145 122 P CA 0.126 63.202 63.100 -0.040 0.000 0.795 122 P CB 0.089 31.767 31.700 -0.036 0.000 0.775 123 L N 0.040 121.208 121.223 -0.091 0.000 2.187 123 L HA -0.119 4.195 4.340 -0.043 0.000 0.213 123 L C 2.055 178.845 176.870 -0.134 0.000 1.100 123 L CA 1.834 56.598 54.840 -0.127 0.000 0.765 123 L CB -1.422 40.529 42.059 -0.181 0.000 0.904 123 L HN -0.089 nan 8.230 nan 0.000 0.437 124 A N -0.967 121.792 122.820 -0.102 0.000 2.172 124 A HA 0.155 4.449 4.320 -0.043 0.000 0.216 124 A C 2.164 179.848 177.584 0.166 0.000 1.154 124 A CA 1.118 53.173 52.037 0.030 0.000 0.701 124 A CB -0.782 18.276 19.000 0.097 0.000 0.789 124 A HN 0.525 nan 8.150 nan 0.000 0.465 125 A N -0.803 122.056 122.820 0.065 0.000 2.308 125 A HA 0.350 4.644 4.320 -0.043 0.000 0.217 125 A C 0.543 178.152 177.584 0.041 0.000 1.216 125 A CA -0.097 51.978 52.037 0.063 0.000 0.864 125 A CB 0.077 19.095 19.000 0.030 0.000 0.902 125 A HN 0.542 nan 8.150 nan 0.000 0.499 126 E N -1.102 119.114 120.200 0.026 0.000 2.281 126 E HA 0.641 4.965 4.350 -0.043 0.000 0.262 126 E C 0.168 176.748 176.600 -0.032 0.000 0.933 126 E CA -0.768 55.616 56.400 -0.027 0.000 0.809 126 E CB 1.351 31.012 29.700 -0.065 0.000 1.242 126 E HN 0.187 nan 8.360 nan 0.000 0.418 127 L N -0.066 121.058 121.223 -0.164 0.000 5.531 127 L HA -0.429 3.885 4.340 -0.043 0.000 0.053 127 L C 1.713 178.567 176.870 -0.026 0.000 2.831 127 L CA 1.302 55.935 54.840 -0.346 0.000 1.552 127 L CB -1.099 40.745 42.059 -0.358 0.000 2.889 127 L HN 0.627 nan 8.230 nan 0.000 0.964 128 E N 0.467 120.770 120.200 0.172 0.000 2.153 128 E HA -0.113 4.211 4.350 -0.043 0.000 0.194 128 E C 1.858 178.529 176.600 0.118 0.000 0.988 128 E CA 1.522 58.047 56.400 0.209 0.000 0.811 128 E CB -0.342 29.514 29.700 0.260 0.000 0.746 128 E HN 0.740 nan 8.360 nan 0.000 0.466 129 G N 0.379 109.346 108.800 0.278 0.000 2.712 129 G HA2 -0.048 3.886 3.960 -0.043 0.000 0.212 129 G HA3 -0.048 3.886 3.960 -0.043 0.000 0.212 129 G C 1.554 176.515 174.900 0.101 0.000 1.142 129 G CA 0.575 45.805 45.100 0.217 0.000 0.789 129 G HN 0.359 nan 8.290 nan 0.000 0.535 130 G N 2.005 110.846 108.800 0.069 0.000 2.586 130 G HA2 -0.196 3.738 3.960 -0.043 0.000 0.218 130 G HA3 -0.196 3.738 3.960 -0.043 0.000 0.218 130 G C 0.044 174.962 174.900 0.030 0.000 1.216 130 G CA 1.298 46.419 45.100 0.036 0.000 0.786 130 G HN 0.471 nan 8.290 nan 0.000 0.583 131 P HA 0.201 nan 4.420 nan 0.000 0.249 131 P C 0.281 177.579 177.300 -0.002 0.000 1.229 131 P CA 0.325 63.433 63.100 0.012 0.000 0.788 131 P CB 0.470 32.178 31.700 0.013 0.000 1.072 132 R N 0.234 120.729 120.500 -0.007 0.000 2.629 132 R HA 0.215 4.529 4.340 -0.043 0.000 0.277 132 R C -1.839 174.470 176.300 0.015 0.000 1.637 132 R CA -1.275 54.810 56.100 -0.025 0.000 1.663 132 R CB 0.719 30.949 30.300 -0.115 0.000 1.228 132 R HN 0.042 nan 8.270 nan 0.000 0.632 133 P HA -0.180 nan 4.420 nan 0.000 0.219 133 P C 1.013 178.343 177.300 0.051 0.000 1.146 133 P CA 1.480 64.607 63.100 0.044 0.000 0.808 133 P CB 0.290 32.009 31.700 0.031 0.000 0.779 134 T N -5.799 108.774 114.554 0.032 0.000 3.069 134 T HA 0.066 4.390 4.350 -0.043 0.000 0.252 134 T C 1.627 176.318 174.700 -0.014 0.000 1.053 134 T CA -0.002 62.110 62.100 0.019 0.000 0.964 134 T CB -0.952 67.920 68.868 0.006 0.000 1.005 134 T HN 0.068 nan 8.240 nan 0.000 0.532 135 H N 1.080 120.064 119.070 -0.143 0.000 2.290 135 H HA -0.001 4.529 4.556 -0.044 0.000 0.298 135 H C 1.283 176.439 175.328 -0.287 0.000 1.087 135 H CA 1.866 57.732 56.048 -0.303 0.000 1.291 135 H CB -0.552 28.906 29.762 -0.507 0.000 1.369 135 H HN 0.392 nan 8.280 nan 0.000 0.492 136 F N 0.261 120.133 119.950 -0.130 0.000 2.325 136 F HA 0.088 4.590 4.527 -0.041 0.000 0.299 136 F C 2.718 178.431 175.800 -0.144 0.000 1.090 136 F CA 0.853 58.742 58.000 -0.184 0.000 1.392 136 F CB -0.864 38.102 39.000 -0.056 0.000 1.053 136 F HN 0.364 nan 8.300 nan 0.000 0.521 137 A N 0.368 123.232 122.820 0.073 0.000 1.908 137 A HA -0.096 4.198 4.320 -0.043 0.000 0.218 137 A C 2.613 180.203 177.584 0.010 0.000 1.181 137 A CA 1.865 53.929 52.037 0.044 0.000 0.627 137 A CB -1.548 17.477 19.000 0.042 0.000 0.818 137 A HN 0.393 nan 8.150 nan 0.000 0.445 138 G N -0.641 108.120 108.800 -0.066 0.000 2.418 138 G HA2 -0.103 3.831 3.960 -0.043 0.000 0.217 138 G HA3 -0.103 3.831 3.960 -0.043 0.000 0.217 138 G C 1.522 176.390 174.900 -0.052 0.000 1.158 138 G CA 1.247 46.306 45.100 -0.070 0.000 0.771 138 G HN 0.319 nan 8.290 nan 0.000 0.545 139 V N 1.089 120.908 119.914 -0.159 0.000 2.261 139 V HA -0.114 3.980 4.120 -0.043 0.000 0.246 139 V C 2.909 179.022 176.094 0.033 0.000 1.047 139 V CA 1.445 63.695 62.300 -0.083 0.000 1.015 139 V CB -0.470 31.284 31.823 -0.116 0.000 0.642 139 V HN 0.327 nan 8.190 nan 0.000 0.446 140 L N -0.371 120.875 121.223 0.038 0.000 2.131 140 L HA -0.157 4.157 4.340 -0.043 0.000 0.210 140 L C 2.592 179.521 176.870 0.098 0.000 1.092 140 L CA 1.828 56.696 54.840 0.046 0.000 0.759 140 L CB -1.166 40.898 42.059 0.009 0.000 0.903 140 L HN 0.394 nan 8.230 nan 0.000 0.435 141 T N -0.483 114.141 114.554 0.117 0.000 2.708 141 T HA -0.184 4.140 4.350 -0.043 0.000 0.266 141 T C 1.937 176.744 174.700 0.179 0.000 1.037 141 T CA 1.405 63.602 62.100 0.161 0.000 1.146 141 T CB -0.269 68.707 68.868 0.180 0.000 0.865 141 T HN 0.118 nan 8.240 nan 0.000 0.435 142 V N 1.198 121.235 119.914 0.205 0.000 2.427 142 V HA -0.112 3.982 4.120 -0.043 0.000 0.248 142 V C 2.474 178.676 176.094 0.180 0.000 1.051 142 V CA 1.346 63.780 62.300 0.223 0.000 1.048 142 V CB -0.377 31.643 31.823 0.329 0.000 0.666 142 V HN 0.331 nan 8.190 nan 0.000 0.456 143 V N -0.102 119.917 119.914 0.175 0.000 2.427 143 V HA -0.200 3.894 4.120 -0.043 0.000 0.248 143 V C 2.413 178.602 176.094 0.159 0.000 1.051 143 V CA 2.032 64.448 62.300 0.193 0.000 1.048 143 V CB -0.602 31.336 31.823 0.192 0.000 0.666 143 V HN 0.579 nan 8.190 nan 0.000 0.456 144 L N 0.378 121.685 121.223 0.141 0.000 2.012 144 L HA -0.191 4.123 4.340 -0.043 0.000 0.210 144 L C 2.378 179.308 176.870 0.101 0.000 1.073 144 L CA 2.021 56.944 54.840 0.138 0.000 0.748 144 L CB -0.768 41.396 42.059 0.174 0.000 0.891 144 L HN 0.230 nan 8.230 nan 0.000 0.431 145 K N -0.771 119.680 120.400 0.086 0.000 2.026 145 K HA -0.152 4.142 4.320 -0.043 0.000 0.208 145 K C 2.087 178.717 176.600 0.050 0.000 1.048 145 K CA 1.785 58.095 56.287 0.039 0.000 0.929 145 K CB -0.364 32.128 32.500 -0.013 0.000 0.713 145 K HN 0.334 nan 8.250 nan 0.000 0.439 146 L N 0.808 122.088 121.223 0.096 0.000 2.093 146 L HA -0.173 4.141 4.340 -0.043 0.000 0.208 146 L C 2.293 179.213 176.870 0.084 0.000 1.085 146 L CA 0.946 55.866 54.840 0.132 0.000 0.755 146 L CB -0.391 41.778 42.059 0.183 0.000 0.904 146 L HN 0.180 nan 8.230 nan 0.000 0.435 147 L N -0.817 120.458 121.223 0.088 0.000 2.083 147 L HA -0.207 4.107 4.340 -0.043 0.000 0.209 147 L C 2.790 179.673 176.870 0.022 0.000 1.083 147 L CA 0.990 55.867 54.840 0.063 0.000 0.752 147 L CB -0.428 41.683 42.059 0.087 0.000 0.899 147 L HN 0.350 nan 8.230 nan 0.000 0.433 148 Q N -0.337 119.473 119.800 0.016 0.000 2.187 148 Q HA -0.051 4.263 4.340 -0.043 0.000 0.199 148 Q C 2.292 178.262 176.000 -0.050 0.000 0.957 148 Q CA 1.272 57.067 55.803 -0.013 0.000 0.857 148 Q CB -0.002 28.730 28.738 -0.010 0.000 0.929 148 Q HN 0.556 nan 8.270 nan 0.000 0.453 149 I N -0.252 120.281 120.570 -0.061 0.000 2.202 149 I HA -0.206 3.938 4.170 -0.043 0.000 0.242 149 I C 2.114 178.119 176.117 -0.186 0.000 1.091 149 I CA 0.887 62.105 61.300 -0.136 0.000 1.368 149 I CB -0.072 37.837 38.000 -0.152 0.000 1.058 149 I HN -0.062 nan 8.210 nan 0.000 0.410 150 V N -0.547 119.279 119.914 -0.148 0.000 2.725 150 V HA 0.032 4.126 4.120 -0.043 0.000 0.247 150 V C 0.874 176.909 176.094 -0.098 0.000 1.058 150 V CA 0.301 62.510 62.300 -0.153 0.000 1.080 150 V CB -0.607 31.155 31.823 -0.103 0.000 0.713 150 V HN 0.409 nan 8.190 nan 0.000 0.465 151 R N -0.220 120.244 120.500 -0.060 0.000 3.188 151 R HA -0.138 4.176 4.340 -0.043 0.000 0.247 151 R C -2.283 173.998 176.300 -0.031 0.000 0.918 151 R CA 0.271 56.347 56.100 -0.041 0.000 0.629 151 R CB -1.899 28.369 30.300 -0.053 0.000 1.087 151 R HN 0.453 nan 8.270 nan 0.000 0.462 152 P HA 0.043 nan 4.420 nan 0.000 0.274 152 P C 0.229 177.533 177.300 0.007 0.000 1.237 152 P CA -0.243 62.861 63.100 0.007 0.000 0.793 152 P CB 0.634 32.354 31.700 0.034 0.000 0.977 153 D N 0.954 121.363 120.400 0.015 0.000 2.144 153 D HA -0.049 4.565 4.640 -0.043 0.000 0.200 153 D C 0.561 176.860 176.300 -0.002 0.000 0.978 153 D CA 1.389 55.395 54.000 0.010 0.000 0.833 153 D CB 0.395 41.207 40.800 0.020 0.000 0.961 153 D HN 0.422 nan 8.370 nan 0.000 0.470 154 R N -0.193 120.313 120.500 0.009 0.000 2.725 154 R HA 0.587 4.901 4.340 -0.043 0.000 0.277 154 R C -1.228 175.016 176.300 -0.093 0.000 0.987 154 R CA -0.644 55.395 56.100 -0.102 0.000 0.901 154 R CB 3.233 33.423 30.300 -0.184 0.000 1.207 154 R HN -0.166 nan 8.270 nan 0.000 0.463 155 V N 3.117 122.884 119.914 -0.245 0.000 2.656 155 V HA 0.629 4.723 4.120 -0.043 0.000 0.307 155 V C -1.623 174.225 176.094 -0.410 0.000 1.051 155 V CA -0.651 61.552 62.300 -0.161 0.000 0.893 155 V CB 1.614 33.432 31.823 -0.009 0.000 0.999 155 V HN 0.574 nan 8.190 nan 0.000 0.426 156 F N 6.359 126.140 119.950 -0.283 0.000 2.482 156 F HA 0.757 5.298 4.527 0.024 0.000 0.331 156 F C -0.477 175.025 175.800 -0.498 0.000 1.115 156 F CA -0.587 57.283 58.000 -0.218 0.000 0.955 156 F CB 1.779 40.713 39.000 -0.111 0.000 1.136 156 F HN 0.331 nan 8.300 nan 0.000 0.452 157 F N 0.458 120.516 119.950 0.181 0.000 2.588 157 F HA 0.655 5.144 4.527 -0.064 0.000 0.310 157 F C 0.577 176.455 175.800 0.130 0.000 1.082 157 F CA -1.325 56.758 58.000 0.139 0.000 0.929 157 F CB 1.758 40.805 39.000 0.078 0.000 1.254 157 F HN 0.556 nan 8.300 nan 0.000 0.455 158 G N 0.679 109.658 108.800 0.298 0.000 2.527 158 G HA2 0.230 4.164 3.960 -0.043 0.000 0.248 158 G HA3 0.230 4.164 3.960 -0.043 0.000 0.248 158 G C 0.307 175.336 174.900 0.216 0.000 1.231 158 G CA -0.336 44.889 45.100 0.210 0.000 0.838 158 G HN 0.836 nan 8.290 nan 0.000 0.570 159 E N 0.129 120.444 120.200 0.192 0.000 2.481 159 E HA -0.052 4.272 4.350 -0.043 0.000 0.195 159 E C 2.086 178.828 176.600 0.237 0.000 1.047 159 E CA 0.017 56.556 56.400 0.231 0.000 0.867 159 E CB 0.220 30.062 29.700 0.236 0.000 0.858 159 E HN 0.575 nan 8.360 nan 0.000 0.513 160 K N 1.266 121.773 120.400 0.178 0.000 2.032 160 K HA -0.125 4.169 4.320 -0.043 0.000 0.209 160 K C 0.220 176.933 176.600 0.189 0.000 1.048 160 K CA 1.025 57.404 56.287 0.154 0.000 0.927 160 K CB 0.117 32.687 32.500 0.118 0.000 0.712 160 K HN 0.042 nan 8.250 nan 0.000 0.441 161 D N 0.745 121.265 120.400 0.200 0.000 2.619 161 D HA -0.037 4.577 4.640 -0.043 0.000 0.224 161 D C 0.237 176.657 176.300 0.199 0.000 1.133 161 D CA -0.008 54.119 54.000 0.212 0.000 1.017 161 D CB 0.309 41.238 40.800 0.214 0.000 1.077 161 D HN 0.254 nan 8.370 nan 0.000 0.503 162 Y N 1.868 122.217 120.300 0.082 0.000 2.220 162 Y HA -0.214 4.311 4.550 -0.041 0.000 0.291 162 Y C 2.506 178.399 175.900 -0.012 0.000 1.129 162 Y CA 1.612 59.734 58.100 0.036 0.000 1.161 162 Y CB 0.269 38.753 38.460 0.039 0.000 0.997 162 Y HN 0.200 nan 8.280 nan 0.000 0.522 163 Q N 0.169 120.040 119.800 0.119 0.000 2.096 163 Q HA -0.333 3.981 4.340 -0.043 0.000 0.204 163 Q C 2.405 178.243 176.000 -0.271 0.000 0.982 163 Q CA 2.174 57.928 55.803 -0.082 0.000 0.850 163 Q CB -0.287 28.455 28.738 0.008 0.000 0.901 163 Q HN 0.695 nan 8.270 nan 0.000 0.422 164 Q N -0.150 119.611 119.800 -0.065 0.000 2.096 164 Q HA -0.212 4.102 4.340 -0.043 0.000 0.204 164 Q C 2.131 177.958 176.000 -0.288 0.000 0.982 164 Q CA 1.504 57.264 55.803 -0.071 0.000 0.850 164 Q CB -0.162 28.680 28.738 0.174 0.000 0.901 164 Q HN 0.455 nan 8.270 nan 0.000 0.422 165 L N 0.111 121.154 121.223 -0.300 0.000 2.046 165 L HA -0.129 4.185 4.340 -0.043 0.000 0.208 165 L C 2.171 178.795 176.870 -0.409 0.000 1.077 165 L CA 1.439 56.044 54.840 -0.391 0.000 0.747 165 L CB -0.662 41.217 42.059 -0.300 0.000 0.896 165 L HN 0.117 nan 8.230 nan 0.000 0.432 166 V N -0.371 119.268 119.914 -0.459 0.000 2.343 166 V HA -0.305 3.789 4.120 -0.043 0.000 0.247 166 V C 2.605 178.501 176.094 -0.330 0.000 1.051 166 V CA 2.031 64.091 62.300 -0.400 0.000 1.036 166 V CB -0.537 31.048 31.823 -0.397 0.000 0.654 166 V HN 0.438 nan 8.190 nan 0.000 0.451 167 L N -0.825 120.175 121.223 -0.370 0.000 2.083 167 L HA -0.170 4.144 4.340 -0.043 0.000 0.209 167 L C 2.309 179.001 176.870 -0.297 0.000 1.083 167 L CA 1.565 56.195 54.840 -0.351 0.000 0.752 167 L CB -0.419 41.363 42.059 -0.462 0.000 0.899 167 L HN 0.274 nan 8.230 nan 0.000 0.433 168 I N -0.670 119.706 120.570 -0.324 0.000 2.226 168 I HA -0.286 3.857 4.170 -0.043 0.000 0.245 168 I C 2.680 178.662 176.117 -0.225 0.000 1.100 168 I CA 1.187 62.307 61.300 -0.300 0.000 1.374 168 I CB -0.289 37.414 38.000 -0.494 0.000 1.057 168 I HN 0.182 nan 8.210 nan 0.000 0.413 169 R N 0.365 120.729 120.500 -0.227 0.000 2.096 169 R HA -0.192 4.122 4.340 -0.043 0.000 0.235 169 R C 2.295 178.495 176.300 -0.167 0.000 1.127 169 R CA 1.329 57.328 56.100 -0.168 0.000 0.968 169 R CB -0.323 29.878 30.300 -0.165 0.000 0.861 169 R HN 0.516 nan 8.270 nan 0.000 0.440 170 Q N 0.402 120.081 119.800 -0.202 0.000 2.079 170 Q HA -0.163 4.151 4.340 -0.043 0.000 0.200 170 Q C 2.205 178.051 176.000 -0.258 0.000 0.974 170 Q CA 1.117 56.796 55.803 -0.207 0.000 0.840 170 Q CB -0.192 28.415 28.738 -0.218 0.000 0.898 170 Q HN 0.186 nan 8.270 nan 0.000 0.430 171 L N 0.406 121.455 121.223 -0.290 0.000 1.990 171 L HA -0.202 4.112 4.340 -0.043 0.000 0.213 171 L C 2.150 178.865 176.870 -0.259 0.000 1.072 171 L CA 1.632 56.243 54.840 -0.381 0.000 0.755 171 L CB -0.575 41.338 42.059 -0.243 0.000 0.889 171 L HN -0.009 nan 8.230 nan 0.000 0.432 172 V N -0.056 119.778 119.914 -0.133 0.000 2.343 172 V HA -0.271 3.823 4.120 -0.043 0.000 0.247 172 V C 2.761 178.831 176.094 -0.039 0.000 1.051 172 V CA 1.650 63.921 62.300 -0.048 0.000 1.036 172 V CB -1.285 30.518 31.823 -0.034 0.000 0.654 172 V HN 0.641 nan 8.190 nan 0.000 0.451 173 A N -0.077 122.697 122.820 -0.076 0.000 1.873 173 A HA -0.217 4.077 4.320 -0.043 0.000 0.215 173 A C 1.970 179.533 177.584 -0.036 0.000 1.186 173 A CA 1.955 53.961 52.037 -0.053 0.000 0.616 173 A CB -0.596 18.363 19.000 -0.069 0.000 0.823 173 A HN 0.527 nan 8.150 nan 0.000 0.442 174 D N -1.102 119.237 120.400 -0.102 0.000 2.224 174 D HA -0.029 4.585 4.640 -0.043 0.000 0.205 174 D C 0.701 177.093 176.300 0.153 0.000 0.965 174 D CA 0.838 54.794 54.000 -0.073 0.000 0.852 174 D CB -0.188 40.461 40.800 -0.252 0.000 0.947 174 D HN 0.414 nan 8.370 nan 0.000 0.494 175 F N 0.147 120.085 119.950 -0.019 0.000 2.641 175 F HA 0.176 4.677 4.527 -0.043 0.000 0.302 175 F C 0.226 176.018 175.800 -0.013 0.000 1.098 175 F CA -0.895 57.097 58.000 -0.013 0.000 1.318 175 F CB -1.143 37.851 39.000 -0.009 0.000 1.035 175 F HN -0.179 nan 8.300 nan 0.000 0.551 176 N N 0.431 119.222 118.700 0.151 0.000 2.735 176 N HA -0.227 4.487 4.740 -0.043 0.000 0.248 176 N C -0.615 174.935 175.510 0.067 0.000 1.083 176 N CA 0.218 53.315 53.050 0.078 0.000 0.703 176 N CB -1.659 36.863 38.487 0.060 0.000 1.005 176 N HN 0.211 nan 8.380 nan 0.000 0.550 177 L N -0.178 121.093 121.223 0.080 0.000 2.416 177 L HA 0.137 4.451 4.340 -0.043 0.000 0.272 177 L C 0.893 177.782 176.870 0.030 0.000 1.161 177 L CA 0.050 54.927 54.840 0.062 0.000 0.845 177 L CB 0.374 42.480 42.059 0.078 0.000 1.119 177 L HN 0.103 nan 8.230 nan 0.000 0.464 178 D N 3.141 123.553 120.400 0.020 0.000 2.767 178 D HA 0.313 4.927 4.640 -0.043 0.000 0.241 178 D C -0.968 175.334 176.300 0.003 0.000 1.187 178 D CA 0.119 54.123 54.000 0.007 0.000 0.999 178 D CB 0.462 41.263 40.800 0.002 0.000 1.042 178 D HN 0.161 nan 8.370 nan 0.000 0.510 179 V N 0.911 120.827 119.914 0.003 0.000 2.971 179 V HA 0.776 4.870 4.120 -0.043 0.000 0.309 179 V C -1.222 174.858 176.094 -0.022 0.000 1.130 179 V CA -0.807 61.489 62.300 -0.005 0.000 0.964 179 V CB 1.992 33.822 31.823 0.011 0.000 1.029 179 V HN 0.345 nan 8.190 nan 0.000 0.427 180 A N 5.299 128.090 122.820 -0.048 0.000 2.274 180 A HA 0.753 5.047 4.320 -0.043 0.000 0.309 180 A C -0.604 176.909 177.584 -0.118 0.000 1.226 180 A CA -0.406 51.587 52.037 -0.075 0.000 0.853 180 A CB 1.091 20.041 19.000 -0.083 0.000 1.146 180 A HN 1.051 nan 8.150 nan 0.000 0.518 181 V N 3.637 123.499 119.914 -0.087 0.000 2.432 181 V HA 0.318 4.412 4.120 -0.043 0.000 0.275 181 V C -0.130 175.889 176.094 -0.126 0.000 1.043 181 V CA -0.273 61.986 62.300 -0.068 0.000 0.925 181 V CB 1.228 33.047 31.823 -0.006 0.000 0.985 181 V HN 0.586 nan 8.190 nan 0.000 0.466 182 V N 4.435 124.211 119.914 -0.231 0.000 2.378 182 V HA 0.630 4.724 4.120 -0.043 0.000 0.288 182 V C 0.692 176.776 176.094 -0.017 0.000 1.016 182 V CA -0.407 61.757 62.300 -0.227 0.000 0.840 182 V CB 1.636 33.103 31.823 -0.594 0.000 0.994 182 V HN 0.941 nan 8.190 nan 0.000 0.431 183 G N 3.722 112.555 108.800 0.056 0.000 2.338 183 G HA2 0.560 4.494 3.960 -0.043 0.000 0.298 183 G HA3 0.560 4.494 3.960 -0.043 0.000 0.298 183 G C -0.792 174.197 174.900 0.147 0.000 1.140 183 G CA -0.322 44.854 45.100 0.127 0.000 0.860 183 G HN 0.533 nan 8.290 nan 0.000 0.470 184 V N 4.643 124.665 119.914 0.181 0.000 2.417 184 V HA 0.314 4.408 4.120 -0.043 0.000 0.291 184 V C -2.000 174.177 176.094 0.137 0.000 1.024 184 V CA -1.671 60.728 62.300 0.165 0.000 0.861 184 V CB 2.063 33.997 31.823 0.185 0.000 0.985 184 V HN 0.587 nan 8.190 nan 0.000 0.436 185 P HA 0.095 nan 4.420 nan 0.000 0.266 185 P C 0.064 177.417 177.300 0.088 0.000 1.195 185 P CA 0.038 63.196 63.100 0.097 0.000 0.768 185 P CB 0.167 31.913 31.700 0.076 0.000 0.838 186 T N 2.523 117.128 114.554 0.084 0.000 2.831 186 T HA 0.070 4.394 4.350 -0.043 0.000 0.291 186 T C 0.476 175.206 174.700 0.050 0.000 0.981 186 T CA -0.019 62.123 62.100 0.071 0.000 1.174 186 T CB -0.258 68.647 68.868 0.062 0.000 0.929 186 T HN 0.060 nan 8.240 nan 0.000 0.532 187 V N 6.116 126.059 119.914 0.048 0.000 2.614 187 V HA 0.309 4.403 4.120 -0.043 0.000 0.291 187 V C 0.733 176.830 176.094 0.006 0.000 1.049 187 V CA -0.141 62.179 62.300 0.034 0.000 1.038 187 V CB 0.607 32.459 31.823 0.049 0.000 0.980 187 V HN 0.743 nan 8.190 nan 0.000 0.481 188 R N 2.474 122.975 120.500 0.001 0.000 2.807 188 R HA 0.476 4.790 4.340 -0.043 0.000 0.276 188 R C -0.662 175.628 176.300 -0.018 0.000 0.979 188 R CA -0.994 55.098 56.100 -0.014 0.000 0.928 188 R CB 1.868 32.166 30.300 -0.003 0.000 1.191 188 R HN 0.619 nan 8.270 nan 0.000 0.471 189 E N 0.749 120.931 120.200 -0.030 0.000 2.428 189 E HA -0.016 4.308 4.350 -0.043 0.000 0.257 189 E C 0.954 177.546 176.600 -0.014 0.000 1.197 189 E CA 0.248 56.633 56.400 -0.025 0.000 0.974 189 E CB 0.542 30.222 29.700 -0.033 0.000 0.976 189 E HN 0.770 nan 8.360 nan 0.000 0.463 190 A N 1.632 124.446 122.820 -0.011 0.000 1.978 190 A HA -0.218 4.076 4.320 -0.043 0.000 0.220 190 A C 1.387 178.967 177.584 -0.007 0.000 1.170 190 A CA 2.101 54.133 52.037 -0.007 0.000 0.636 190 A CB -0.425 18.571 19.000 -0.006 0.000 0.810 190 A HN 0.606 nan 8.150 nan 0.000 0.448 191 D N -2.653 117.740 120.400 -0.010 0.000 2.355 191 D HA 0.264 4.878 4.640 -0.043 0.000 0.218 191 D C 1.197 177.491 176.300 -0.009 0.000 1.004 191 D CA 1.169 55.163 54.000 -0.010 0.000 0.880 191 D CB -0.331 40.462 40.800 -0.012 0.000 0.911 191 D HN 0.803 nan 8.370 nan 0.000 0.528 192 G N 0.009 108.803 108.800 -0.009 0.000 2.231 192 G HA2 -0.226 3.708 3.960 -0.043 0.000 0.206 192 G HA3 -0.226 3.708 3.960 -0.043 0.000 0.206 192 G C -0.026 174.867 174.900 -0.011 0.000 0.996 192 G CA -0.086 45.011 45.100 -0.006 0.000 0.645 192 G HN 0.424 nan 8.290 nan 0.000 0.498 193 L N 2.499 123.711 121.223 -0.018 0.000 2.584 193 L HA 0.613 4.927 4.340 -0.043 0.000 0.272 193 L C 1.098 177.947 176.870 -0.034 0.000 1.195 193 L CA 0.345 55.169 54.840 -0.026 0.000 0.920 193 L CB 0.087 42.127 42.059 -0.032 0.000 1.173 193 L HN 1.042 nan 8.230 nan 0.000 0.489 194 A N 7.385 130.187 122.820 -0.029 0.000 2.546 194 A HA 0.212 4.506 4.320 -0.043 0.000 0.243 194 A C 0.565 178.100 177.584 -0.082 0.000 1.063 194 A CA -0.341 51.675 52.037 -0.034 0.000 0.757 194 A CB -0.231 18.763 19.000 -0.010 0.000 0.991 194 A HN 0.784 nan 8.150 nan 0.000 0.503 195 M N 1.909 121.432 119.600 -0.129 0.000 2.250 195 M HA 0.206 4.660 4.480 -0.043 0.000 0.337 195 M C 0.544 176.630 176.300 -0.357 0.000 1.161 195 M CA 0.855 55.970 55.300 -0.309 0.000 1.088 195 M CB 0.258 32.611 32.600 -0.412 0.000 1.639 195 M HN 0.802 nan 8.290 nan 0.000 0.447 196 S N 0.539 115.988 115.700 -0.418 0.000 2.542 196 S HA 0.308 4.752 4.470 -0.043 0.000 0.276 196 S C 0.438 175.001 174.600 -0.062 0.000 1.148 196 S CA -0.664 57.444 58.200 -0.154 0.000 0.886 196 S CB 1.444 64.629 63.200 -0.024 0.000 1.109 196 S HN 0.663 nan 8.310 nan 0.000 0.458 197 S N 2.695 118.520 115.700 0.207 0.000 2.500 197 S HA 0.009 4.453 4.470 -0.043 0.000 0.239 197 S C 1.554 176.133 174.600 -0.035 0.000 0.989 197 S CA 0.590 58.882 58.200 0.154 0.000 0.951 197 S CB -0.178 63.138 63.200 0.192 0.000 0.759 197 S HN 0.622 nan 8.310 nan 0.000 0.523 198 R N 0.950 121.457 120.500 0.013 0.000 2.280 198 R HA 0.206 4.520 4.340 -0.043 0.000 0.195 198 R C 1.097 177.391 176.300 -0.010 0.000 0.935 198 R CA 0.021 56.161 56.100 0.066 0.000 1.033 198 R CB -0.073 30.315 30.300 0.147 0.000 0.964 198 R HN 0.266 nan 8.270 nan 0.000 0.489 199 N N 1.691 120.347 118.700 -0.074 0.000 2.289 199 N HA -0.173 4.541 4.740 -0.043 0.000 0.184 199 N C 1.619 177.050 175.510 -0.132 0.000 1.016 199 N CA 1.001 54.004 53.050 -0.079 0.000 0.872 199 N CB -0.176 38.257 38.487 -0.090 0.000 0.973 199 N HN 0.378 nan 8.380 nan 0.000 0.433 200 R N -0.275 120.060 120.500 -0.274 0.000 2.241 200 R HA -0.107 4.207 4.340 -0.043 0.000 0.224 200 R C 0.547 176.624 176.300 -0.372 0.000 1.101 200 R CA 1.100 56.981 56.100 -0.365 0.000 0.995 200 R CB -0.546 29.441 30.300 -0.521 0.000 0.870 200 R HN 0.226 nan 8.270 nan 0.000 0.463 201 Y N 1.185 121.469 120.300 -0.027 0.000 2.461 201 Y HA 0.318 4.842 4.550 -0.044 0.000 0.277 201 Y C 0.352 176.240 175.900 -0.020 0.000 1.182 201 Y CA -0.520 57.566 58.100 -0.023 0.000 1.276 201 Y CB 0.155 38.600 38.460 -0.025 0.000 1.087 201 Y HN -0.074 nan 8.280 nan 0.000 0.519 202 L N 1.957 123.222 121.223 0.070 0.000 2.265 202 L HA 0.240 4.554 4.340 -0.043 0.000 0.288 202 L C 0.095 176.979 176.870 0.022 0.000 1.058 202 L CA -0.924 53.940 54.840 0.040 0.000 0.809 202 L CB 0.545 42.611 42.059 0.011 0.000 1.179 202 L HN 0.150 nan 8.230 nan 0.000 0.429 203 D N 3.391 123.806 120.400 0.025 0.000 2.398 203 D HA 0.160 4.774 4.640 -0.043 0.000 0.247 203 D C -1.997 174.305 176.300 0.004 0.000 1.227 203 D CA -1.904 52.105 54.000 0.014 0.000 0.980 203 D CB 0.318 41.127 40.800 0.016 0.000 1.106 203 D HN 0.126 nan 8.370 nan 0.000 0.493 204 P HA -0.162 nan 4.420 nan 0.000 0.216 204 P C 1.213 178.511 177.300 -0.003 0.000 1.153 204 P CA 2.645 65.743 63.100 -0.004 0.000 0.858 204 P CB -0.080 31.618 31.700 -0.004 0.000 0.789 205 A N -0.502 122.317 122.820 -0.001 0.000 1.877 205 A HA -0.266 4.028 4.320 -0.043 0.000 0.216 205 A C 2.219 179.802 177.584 -0.002 0.000 1.186 205 A CA 1.726 53.762 52.037 -0.002 0.000 0.620 205 A CB -1.323 17.677 19.000 -0.001 0.000 0.822 205 A HN 0.204 nan 8.150 nan 0.000 0.443 206 Q N -1.272 118.529 119.800 0.001 0.000 2.119 206 Q HA -0.164 4.150 4.340 -0.043 0.000 0.201 206 Q C 2.301 178.299 176.000 -0.003 0.000 0.972 206 Q CA 1.468 57.272 55.803 0.001 0.000 0.847 206 Q CB -0.163 28.581 28.738 0.009 0.000 0.903 206 Q HN 0.552 nan 8.270 nan 0.000 0.433 207 R N 1.265 121.762 120.500 -0.004 0.000 2.081 207 R HA -0.122 4.192 4.340 -0.043 0.000 0.235 207 R C 1.959 178.252 176.300 -0.011 0.000 1.131 207 R CA 1.775 57.869 56.100 -0.011 0.000 0.960 207 R CB -0.827 29.465 30.300 -0.014 0.000 0.856 207 R HN 0.244 nan 8.270 nan 0.000 0.436 208 A N 0.246 123.060 122.820 -0.009 0.000 1.883 208 A HA -0.066 4.228 4.320 -0.043 0.000 0.217 208 A C 2.395 179.973 177.584 -0.010 0.000 1.186 208 A CA 2.008 54.039 52.037 -0.009 0.000 0.624 208 A CB -1.164 17.831 19.000 -0.008 0.000 0.822 208 A HN 0.506 nan 8.150 nan 0.000 0.444 209 A N -0.431 122.384 122.820 -0.009 0.000 1.969 209 A HA 0.264 4.558 4.320 -0.043 0.000 0.218 209 A C 2.379 179.957 177.584 -0.011 0.000 1.169 209 A CA 1.660 53.691 52.037 -0.009 0.000 0.635 209 A CB -0.839 18.156 19.000 -0.008 0.000 0.810 209 A HN 1.098 nan 8.150 nan 0.000 0.445 210 A N -0.599 122.213 122.820 -0.012 0.000 2.125 210 A HA 0.010 4.304 4.320 -0.043 0.000 0.219 210 A C 2.124 179.698 177.584 -0.016 0.000 1.156 210 A CA 1.426 53.454 52.037 -0.014 0.000 0.671 210 A CB -0.846 18.145 19.000 -0.014 0.000 0.794 210 A HN 0.691 nan 8.150 nan 0.000 0.459 211 V N -0.275 119.630 119.914 -0.014 0.000 2.720 211 V HA -0.175 3.919 4.120 -0.043 0.000 0.256 211 V C 2.649 178.736 176.094 -0.012 0.000 1.082 211 V CA 1.872 64.164 62.300 -0.013 0.000 1.101 211 V CB -0.704 31.112 31.823 -0.012 0.000 0.693 211 V HN 0.616 nan 8.190 nan 0.000 0.479 212 A N -0.378 122.434 122.820 -0.013 0.000 2.024 212 A HA -0.174 4.120 4.320 -0.043 0.000 0.220 212 A C 2.016 179.592 177.584 -0.014 0.000 1.164 212 A CA 2.030 54.060 52.037 -0.012 0.000 0.643 212 A CB -0.490 18.503 19.000 -0.013 0.000 0.806 212 A HN 0.528 nan 8.150 nan 0.000 0.451 213 L N 0.464 121.677 121.223 -0.018 0.000 1.994 213 L HA -0.167 4.147 4.340 -0.043 0.000 0.208 213 L C 3.061 179.923 176.870 -0.013 0.000 1.071 213 L CA 2.425 57.252 54.840 -0.021 0.000 0.745 213 L CB -0.777 41.265 42.059 -0.027 0.000 0.892 213 L HN 0.561 nan 8.230 nan 0.000 0.431 214 S N -0.839 114.855 115.700 -0.009 0.000 2.383 214 S HA -0.112 4.332 4.470 -0.043 0.000 0.227 214 S C 2.143 176.746 174.600 0.004 0.000 1.026 214 S CA 0.719 58.918 58.200 -0.002 0.000 0.981 214 S CB -0.757 62.442 63.200 -0.002 0.000 0.818 214 S HN 0.312 nan 8.310 nan 0.000 0.472 215 A N 2.378 125.198 122.820 0.001 0.000 1.877 215 A HA 0.256 4.550 4.320 -0.043 0.000 0.216 215 A C 2.572 180.162 177.584 0.009 0.000 1.186 215 A CA 1.868 53.907 52.037 0.003 0.000 0.620 215 A CB -1.557 17.441 19.000 -0.003 0.000 0.822 215 A HN 0.858 nan 8.150 nan 0.000 0.443 216 A N -0.216 122.606 122.820 0.004 0.000 1.877 216 A HA -0.070 4.224 4.320 -0.043 0.000 0.216 216 A C 2.200 179.791 177.584 0.012 0.000 1.186 216 A CA 1.574 53.614 52.037 0.005 0.000 0.620 216 A CB -0.662 18.336 19.000 -0.003 0.000 0.822 216 A HN 0.479 nan 8.150 nan 0.000 0.443 217 L N -1.236 119.992 121.223 0.008 0.000 2.017 217 L HA -0.156 4.158 4.340 -0.043 0.000 0.208 217 L C 2.910 179.795 176.870 0.025 0.000 1.073 217 L CA 1.903 56.747 54.840 0.006 0.000 0.745 217 L CB -0.789 41.267 42.059 -0.004 0.000 0.894 217 L HN 0.509 nan 8.230 nan 0.000 0.432 218 T N -0.677 113.906 114.554 0.048 0.000 2.857 218 T HA -0.082 4.242 4.350 -0.043 0.000 0.266 218 T C 1.888 176.698 174.700 0.184 0.000 1.048 218 T CA 1.172 63.341 62.100 0.115 0.000 1.139 218 T CB 0.021 68.956 68.868 0.111 0.000 0.874 218 T HN 0.386 nan 8.240 nan 0.000 0.455 219 A N 1.356 124.234 122.820 0.097 0.000 1.865 219 A HA 0.136 4.430 4.320 -0.043 0.000 0.217 219 A C 2.764 180.401 177.584 0.088 0.000 1.191 219 A CA 2.234 54.322 52.037 0.084 0.000 0.623 219 A CB -1.471 17.551 19.000 0.037 0.000 0.826 219 A HN 0.681 nan 8.150 nan 0.000 0.444 220 A N -0.247 122.602 122.820 0.050 0.000 1.908 220 A HA 0.099 4.393 4.320 -0.043 0.000 0.218 220 A C 2.506 180.095 177.584 0.008 0.000 1.181 220 A CA 2.330 54.382 52.037 0.025 0.000 0.627 220 A CB -1.064 17.940 19.000 0.008 0.000 0.818 220 A HN 1.185 nan 8.150 nan 0.000 0.445 221 A N -1.466 121.348 122.820 -0.009 0.000 1.972 221 A HA -0.180 4.114 4.320 -0.043 0.000 0.219 221 A C 2.027 179.484 177.584 -0.211 0.000 1.169 221 A CA 1.568 53.536 52.037 -0.115 0.000 0.635 221 A CB -0.783 18.124 19.000 -0.154 0.000 0.810 221 A HN 0.717 nan 8.150 nan 0.000 0.446 222 H N -1.206 117.859 119.070 -0.007 0.000 2.431 222 H HA 0.173 4.704 4.556 -0.042 0.000 0.295 222 H C 2.486 177.811 175.328 -0.005 0.000 1.038 222 H CA 0.961 57.006 56.048 -0.005 0.000 1.360 222 H CB -0.173 29.586 29.762 -0.005 0.000 1.433 222 H HN 0.529 nan 8.280 nan 0.000 0.536 223 A N 1.415 124.294 122.820 0.097 0.000 2.070 223 A HA -0.049 4.245 4.320 -0.043 0.000 0.220 223 A C 2.522 180.119 177.584 0.021 0.000 1.159 223 A CA 1.161 53.228 52.037 0.049 0.000 0.656 223 A CB -0.556 18.465 19.000 0.036 0.000 0.800 223 A HN 0.398 nan 8.150 nan 0.000 0.453 224 A N -0.028 122.792 122.820 0.000 0.000 2.178 224 A HA -0.034 4.260 4.320 -0.043 0.000 0.218 224 A C 2.225 179.802 177.584 -0.012 0.000 1.157 224 A CA 1.993 54.020 52.037 -0.015 0.000 0.689 224 A CB -1.238 17.740 19.000 -0.037 0.000 0.787 224 A HN 0.745 nan 8.150 nan 0.000 0.465 225 T N -2.539 112.012 114.554 -0.005 0.000 2.881 225 T HA 0.077 4.401 4.350 -0.043 0.000 0.270 225 T C 1.575 176.276 174.700 0.002 0.000 1.068 225 T CA 1.270 63.370 62.100 -0.001 0.000 1.131 225 T CB -0.330 68.543 68.868 0.009 0.000 0.871 225 T HN 0.574 nan 8.240 nan 0.000 0.479 226 A N 0.922 123.745 122.820 0.005 0.000 2.307 226 A HA 0.653 4.947 4.320 -0.043 0.000 0.218 226 A C 1.263 178.849 177.584 0.002 0.000 1.228 226 A CA 0.269 52.309 52.037 0.005 0.000 0.857 226 A CB -0.795 18.210 19.000 0.009 0.000 0.897 226 A HN 1.322 nan 8.150 nan 0.000 0.495 227 G N -2.721 106.078 108.800 -0.001 0.000 2.541 227 G HA2 0.310 4.244 3.960 -0.043 0.000 0.686 227 G HA3 0.310 4.244 3.960 -0.043 0.000 0.686 227 G C 0.718 175.616 174.900 -0.003 0.000 1.286 227 G CA -0.231 44.867 45.100 -0.003 0.000 0.894 227 G HN 1.173 nan 8.290 nan 0.000 0.575 228 A N -0.726 122.091 122.820 -0.004 0.000 1.902 228 A HA 0.016 4.310 4.320 -0.043 0.000 0.217 228 A C 2.305 179.889 177.584 -0.000 0.000 1.181 228 A CA 2.734 54.768 52.037 -0.004 0.000 0.623 228 A CB -0.511 18.486 19.000 -0.004 0.000 0.818 228 A HN 1.306 nan 8.150 nan 0.000 0.443 229 Q N -0.186 119.615 119.800 0.001 0.000 2.084 229 Q HA -0.032 4.282 4.340 -0.043 0.000 0.202 229 Q C 2.057 178.060 176.000 0.004 0.000 0.978 229 Q CA 2.110 57.915 55.803 0.003 0.000 0.844 229 Q CB -0.554 28.185 28.738 0.003 0.000 0.898 229 Q HN 0.560 nan 8.270 nan 0.000 0.426 230 A N 0.280 123.103 122.820 0.004 0.000 1.902 230 A HA -0.068 4.226 4.320 -0.043 0.000 0.217 230 A C 2.295 179.884 177.584 0.008 0.000 1.181 230 A CA 1.864 53.905 52.037 0.007 0.000 0.623 230 A CB -1.258 17.746 19.000 0.008 0.000 0.818 230 A HN 0.524 nan 8.150 nan 0.000 0.443 231 A N -0.187 122.636 122.820 0.006 0.000 1.865 231 A HA -0.098 4.196 4.320 -0.043 0.000 0.217 231 A C 2.209 179.797 177.584 0.007 0.000 1.191 231 A CA 1.618 53.658 52.037 0.005 0.000 0.623 231 A CB -0.723 18.275 19.000 -0.004 0.000 0.826 231 A HN 0.472 nan 8.150 nan 0.000 0.444 232 L N -0.556 120.671 121.223 0.006 0.000 2.017 232 L HA -0.211 4.103 4.340 -0.043 0.000 0.208 232 L C 2.117 178.992 176.870 0.010 0.000 1.073 232 L CA 1.611 56.457 54.840 0.009 0.000 0.745 232 L CB -0.657 41.408 42.059 0.010 0.000 0.894 232 L HN 0.333 nan 8.230 nan 0.000 0.432 233 D N -0.084 120.321 120.400 0.008 0.000 2.178 233 D HA -0.116 4.498 4.640 -0.043 0.000 0.202 233 D C 2.206 178.511 176.300 0.008 0.000 0.974 233 D CA 1.302 55.307 54.000 0.008 0.000 0.841 233 D CB -0.048 40.756 40.800 0.007 0.000 0.953 233 D HN 0.306 nan 8.370 nan 0.000 0.478 234 A N 1.164 123.991 122.820 0.010 0.000 1.877 234 A HA -0.075 4.219 4.320 -0.043 0.000 0.216 234 A C 2.328 179.918 177.584 0.010 0.000 1.186 234 A CA 2.292 54.336 52.037 0.012 0.000 0.620 234 A CB -0.794 18.218 19.000 0.019 0.000 0.822 234 A HN 0.236 nan 8.150 nan 0.000 0.443 235 A N -0.330 122.496 122.820 0.010 0.000 1.902 235 A HA -0.151 4.143 4.320 -0.043 0.000 0.217 235 A C 2.186 179.772 177.584 0.004 0.000 1.181 235 A CA 2.154 54.195 52.037 0.007 0.000 0.623 235 A CB -0.457 18.548 19.000 0.007 0.000 0.818 235 A HN 0.477 nan 8.150 nan 0.000 0.443 236 R N 0.221 120.725 120.500 0.006 0.000 2.081 236 R HA -0.054 4.260 4.340 -0.043 0.000 0.235 236 R C 2.129 178.430 176.300 0.002 0.000 1.131 236 R CA 1.947 58.050 56.100 0.004 0.000 0.960 236 R CB -0.838 29.466 30.300 0.007 0.000 0.856 236 R HN 0.398 nan 8.270 nan 0.000 0.436 237 A N -0.311 122.511 122.820 0.003 0.000 1.883 237 A HA -0.114 4.180 4.320 -0.043 0.000 0.217 237 A C 2.326 179.910 177.584 -0.001 0.000 1.186 237 A CA 1.864 53.902 52.037 0.002 0.000 0.624 237 A CB -0.758 18.243 19.000 0.003 0.000 0.822 237 A HN 0.194 nan 8.150 nan 0.000 0.444 238 V N 0.012 119.926 119.914 -0.000 0.000 2.307 238 V HA -0.243 3.851 4.120 -0.043 0.000 0.245 238 V C 2.574 178.664 176.094 -0.005 0.000 1.045 238 V CA 1.914 64.212 62.300 -0.003 0.000 1.024 238 V CB -0.798 31.024 31.823 -0.001 0.000 0.651 238 V HN 0.560 nan 8.190 nan 0.000 0.449 239 L N -0.178 121.041 121.223 -0.006 0.000 2.046 239 L HA -0.205 4.109 4.340 -0.043 0.000 0.208 239 L C 2.355 179.220 176.870 -0.009 0.000 1.077 239 L CA 1.638 56.471 54.840 -0.011 0.000 0.747 239 L CB -0.748 41.303 42.059 -0.014 0.000 0.896 239 L HN 0.322 nan 8.230 nan 0.000 0.432 240 D N 0.111 120.508 120.400 -0.006 0.000 2.178 240 D HA -0.134 4.480 4.640 -0.043 0.000 0.201 240 D C 2.091 178.388 176.300 -0.005 0.000 0.980 240 D CA 1.356 55.353 54.000 -0.004 0.000 0.842 240 D CB 0.020 40.818 40.800 -0.002 0.000 0.948 240 D HN 0.318 nan 8.370 nan 0.000 0.472 241 A N 0.005 122.822 122.820 -0.005 0.000 2.206 241 A HA 0.345 4.639 4.320 -0.043 0.000 0.211 241 A C 1.153 178.733 177.584 -0.006 0.000 1.158 241 A CA 0.570 52.605 52.037 -0.005 0.000 0.761 241 A CB -0.072 18.925 19.000 -0.005 0.000 0.801 241 A HN 0.167 nan 8.150 nan 0.000 0.473 242 A N 1.447 124.263 122.820 -0.007 0.000 2.290 242 A HA 0.604 4.898 4.320 -0.043 0.000 0.310 242 A C -2.557 175.022 177.584 -0.008 0.000 1.202 242 A CA -1.762 50.270 52.037 -0.008 0.000 0.837 242 A CB 0.223 19.217 19.000 -0.010 0.000 1.139 242 A HN 0.206 nan 8.150 nan 0.000 0.509 243 P HA 0.275 nan 4.420 nan 0.000 0.276 243 P C 0.762 178.057 177.300 -0.007 0.000 1.253 243 P CA 1.156 64.252 63.100 -0.006 0.000 0.766 243 P CB 0.894 32.590 31.700 -0.005 0.000 0.845 244 G N 2.148 110.944 108.800 -0.007 0.000 2.143 244 G HA2 -0.199 3.735 3.960 -0.043 0.000 0.248 244 G HA3 -0.199 3.735 3.960 -0.043 0.000 0.248 244 G C -0.056 174.838 174.900 -0.010 0.000 0.991 244 G CA -0.149 44.947 45.100 -0.007 0.000 0.689 244 G HN 0.524 nan 8.290 nan 0.000 0.522 245 V N 0.894 120.801 119.914 -0.012 0.000 2.385 245 V HA 0.677 4.771 4.120 -0.043 0.000 0.269 245 V C 0.701 176.784 176.094 -0.019 0.000 1.043 245 V CA 0.030 62.320 62.300 -0.018 0.000 0.906 245 V CB 1.345 33.156 31.823 -0.020 0.000 0.995 245 V HN 1.087 nan 8.190 nan 0.000 0.467 246 A N 5.738 128.544 122.820 -0.023 0.000 2.273 246 A HA 0.676 4.970 4.320 -0.043 0.000 0.320 246 A C -0.370 177.193 177.584 -0.035 0.000 1.358 246 A CA -0.457 51.566 52.037 -0.022 0.000 0.910 246 A CB 0.721 19.711 19.000 -0.017 0.000 1.159 246 A HN 0.618 nan 8.150 nan 0.000 0.526 247 V N 3.412 123.306 119.914 -0.034 0.000 2.508 247 V HA 0.020 4.114 4.120 -0.043 0.000 0.281 247 V C 1.206 177.271 176.094 -0.047 0.000 1.041 247 V CA 0.142 62.409 62.300 -0.054 0.000 1.016 247 V CB 1.023 32.824 31.823 -0.038 0.000 0.984 247 V HN 1.051 nan 8.190 nan 0.000 0.478 248 D N 3.490 123.833 120.400 -0.095 0.000 2.092 248 D HA -0.020 4.594 4.640 -0.043 0.000 0.203 248 D C 0.199 176.518 176.300 0.032 0.000 0.978 248 D CA 1.577 55.544 54.000 -0.054 0.000 0.861 248 D CB 0.266 40.983 40.800 -0.138 0.000 1.005 248 D HN 0.638 nan 8.370 nan 0.000 0.450 249 Y N -1.421 118.884 120.300 0.008 0.000 2.588 249 Y HA 0.626 5.149 4.550 -0.045 0.000 0.343 249 Y C -1.518 174.386 175.900 0.007 0.000 1.065 249 Y CA -1.657 56.448 58.100 0.009 0.000 1.038 249 Y CB 1.195 39.663 38.460 0.013 0.000 1.297 249 Y HN -0.095 nan 8.280 nan 0.000 0.467 250 L N 2.068 123.433 121.223 0.236 0.000 2.491 250 L HA 0.603 4.917 4.340 -0.043 0.000 0.267 250 L C -1.652 175.316 176.870 0.165 0.000 0.971 250 L CA -0.241 54.693 54.840 0.157 0.000 0.857 250 L CB 1.820 43.914 42.059 0.058 0.000 1.226 250 L HN 0.875 nan 8.230 nan 0.000 0.408 251 E N 4.238 124.544 120.200 0.177 0.000 2.308 251 E HA 0.436 4.760 4.350 -0.043 0.000 0.275 251 E C -1.789 174.839 176.600 0.047 0.000 0.890 251 E CA -0.973 55.480 56.400 0.088 0.000 0.754 251 E CB 2.989 32.714 29.700 0.042 0.000 1.207 251 E HN 0.475 nan 8.360 nan 0.000 0.426 252 L N 3.417 124.651 121.223 0.018 0.000 2.287 252 L HA 0.461 4.775 4.340 -0.043 0.000 0.287 252 L C -0.803 176.062 176.870 -0.008 0.000 1.022 252 L CA 0.037 54.876 54.840 -0.001 0.000 0.814 252 L CB 0.562 42.619 42.059 -0.004 0.000 1.217 252 L HN 0.468 nan 8.230 nan 0.000 0.420 253 R N 2.517 123.009 120.500 -0.013 0.000 2.912 253 R HA 0.362 4.676 4.340 -0.043 0.000 0.262 253 R C -1.125 175.173 176.300 -0.004 0.000 1.057 253 R CA -1.149 54.946 56.100 -0.008 0.000 0.981 253 R CB 1.424 31.723 30.300 -0.002 0.000 1.201 253 R HN 0.701 nan 8.270 nan 0.000 0.484 254 D N 0.613 121.014 120.400 0.002 0.000 2.406 254 D HA -0.066 4.548 4.640 -0.043 0.000 0.234 254 D C 1.524 177.847 176.300 0.039 0.000 1.196 254 D CA 0.116 54.122 54.000 0.010 0.000 0.881 254 D CB 0.706 41.509 40.800 0.004 0.000 1.205 254 D HN 0.530 nan 8.370 nan 0.000 0.453 255 I N -0.400 120.202 120.570 0.053 0.000 2.361 255 I HA 0.045 4.189 4.170 -0.043 0.000 0.251 255 I C 1.709 177.932 176.117 0.177 0.000 1.133 255 I CA 1.236 62.613 61.300 0.129 0.000 1.413 255 I CB -0.457 37.611 38.000 0.114 0.000 1.073 255 I HN 0.362 nan 8.210 nan 0.000 0.424 256 G N 0.787 109.627 108.800 0.067 0.000 3.088 256 G HA2 0.291 4.225 3.960 -0.043 0.000 0.212 256 G HA3 0.291 4.225 3.960 -0.043 0.000 0.212 256 G C 1.104 176.001 174.900 -0.005 0.000 1.173 256 G CA -0.016 45.087 45.100 0.006 0.000 0.779 256 G HN 0.526 nan 8.290 nan 0.000 0.540 257 L N -1.724 119.523 121.223 0.040 0.000 4.739 257 L HA -0.220 4.094 4.340 -0.043 0.000 0.437 257 L C 1.675 178.527 176.870 -0.030 0.000 1.117 257 L CA 0.318 55.167 54.840 0.014 0.000 0.970 257 L CB -1.924 40.144 42.059 0.015 0.000 1.965 257 L HN 0.344 nan 8.230 nan 0.000 0.872 258 G N 0.221 109.001 108.800 -0.033 0.000 2.510 258 G HA2 0.501 4.435 3.960 -0.043 0.000 0.280 258 G HA3 0.501 4.435 3.960 -0.043 0.000 0.280 258 G C -1.853 173.026 174.900 -0.036 0.000 1.386 258 G CA -0.080 44.993 45.100 -0.046 0.000 1.047 258 G HN 0.126 nan 8.290 nan 0.000 0.527 259 P HA 0.150 nan 4.420 nan 0.000 0.228 259 P C -0.439 176.848 177.300 -0.022 0.000 1.748 259 P CA 0.472 63.555 63.100 -0.028 0.000 0.909 259 P CB -0.519 31.164 31.700 -0.028 0.000 1.882 260 M N -0.557 119.031 119.600 -0.020 0.000 2.501 260 M HA 0.649 5.103 4.480 -0.043 0.000 0.293 260 M C -3.084 173.208 176.300 -0.013 0.000 1.192 260 M CA -2.605 52.685 55.300 -0.015 0.000 0.886 260 M CB 2.274 34.865 32.600 -0.014 0.000 1.710 260 M HN -0.310 nan 8.290 nan 0.000 0.457 261 P HA 0.237 nan 4.420 nan 0.000 0.274 261 P C -0.712 176.583 177.300 -0.008 0.000 1.237 261 P CA -0.577 62.517 63.100 -0.010 0.000 0.793 261 P CB 0.747 32.442 31.700 -0.009 0.000 0.977 262 L N 2.285 123.504 121.223 -0.008 0.000 2.559 262 L HA -0.013 4.301 4.340 -0.043 0.000 0.274 262 L C 1.043 177.909 176.870 -0.007 0.000 1.205 262 L CA 0.642 55.477 54.840 -0.008 0.000 0.907 262 L CB -0.994 41.060 42.059 -0.009 0.000 1.153 262 L HN 0.595 nan 8.230 nan 0.000 0.490 263 N N 2.850 121.546 118.700 -0.007 0.000 2.616 263 N HA 0.339 5.053 4.740 -0.043 0.000 0.278 263 N C 1.171 176.676 175.510 -0.008 0.000 1.309 263 N CA -0.027 53.019 53.050 -0.007 0.000 0.806 263 N CB -0.436 38.047 38.487 -0.006 0.000 1.157 263 N HN 0.436 nan 8.380 nan 0.000 0.401 264 G N -0.970 107.825 108.800 -0.008 0.000 2.408 264 G HA2 0.051 3.985 3.960 -0.043 0.000 0.215 264 G HA3 0.051 3.985 3.960 -0.043 0.000 0.215 264 G C -0.082 174.809 174.900 -0.014 0.000 1.156 264 G CA 0.291 45.385 45.100 -0.011 0.000 0.793 264 G HN 0.447 nan 8.290 nan 0.000 0.535 265 S N -0.161 115.532 115.700 -0.011 0.000 2.437 265 S HA 0.677 5.121 4.470 -0.043 0.000 0.305 265 S C 0.169 174.761 174.600 -0.013 0.000 1.109 265 S CA -0.287 57.906 58.200 -0.012 0.000 1.099 265 S CB 1.752 64.950 63.200 -0.004 0.000 1.004 265 S HN 0.545 nan 8.310 nan 0.000 0.475 266 G N 1.411 110.196 108.800 -0.026 0.000 2.798 266 G HA2 0.743 4.677 3.960 -0.043 0.000 0.286 266 G HA3 0.743 4.677 3.960 -0.043 0.000 0.286 266 G C -1.553 173.306 174.900 -0.068 0.000 1.389 266 G CA -0.840 44.241 45.100 -0.032 0.000 0.894 266 G HN 0.491 nan 8.290 nan 0.000 0.488 267 R N -0.798 119.647 120.500 -0.092 0.000 2.575 267 R HA 0.618 4.932 4.340 -0.043 0.000 0.293 267 R C -1.583 174.639 176.300 -0.130 0.000 0.983 267 R CA -0.699 55.283 56.100 -0.196 0.000 0.887 267 R CB 1.605 31.665 30.300 -0.399 0.000 1.184 267 R HN 0.478 nan 8.270 nan 0.000 0.445 268 L N 5.342 126.495 121.223 -0.117 0.000 2.272 268 L HA 0.585 4.899 4.340 -0.043 0.000 0.289 268 L C -1.687 175.160 176.870 -0.039 0.000 1.032 268 L CA -0.311 54.497 54.840 -0.053 0.000 0.810 268 L CB 1.110 43.148 42.059 -0.036 0.000 1.205 268 L HN 0.609 nan 8.230 nan 0.000 0.422 269 L N 5.851 127.096 121.223 0.036 0.000 2.346 269 L HA 0.755 5.069 4.340 -0.043 0.000 0.276 269 L C -0.517 176.450 176.870 0.161 0.000 1.006 269 L CA -0.566 54.342 54.840 0.113 0.000 0.817 269 L CB 1.925 44.114 42.059 0.217 0.000 1.272 269 L HN 0.415 nan 8.230 nan 0.000 0.421 270 V N 1.798 121.741 119.914 0.048 0.000 2.789 270 V HA 0.964 5.058 4.120 -0.043 0.000 0.311 270 V C -1.117 174.780 176.094 -0.330 0.000 1.073 270 V CA -0.263 61.966 62.300 -0.118 0.000 0.921 270 V CB 1.974 33.752 31.823 -0.076 0.000 1.009 270 V HN 0.889 nan 8.190 nan 0.000 0.426 271 A N 4.725 127.138 122.820 -0.677 0.000 2.422 271 A HA 1.040 5.333 4.320 -0.043 0.000 0.302 271 A C -0.587 176.783 177.584 -0.357 0.000 1.041 271 A CA 0.004 51.714 52.037 -0.545 0.000 0.708 271 A CB 1.813 20.324 19.000 -0.815 0.000 1.257 271 A HN 2.101 nan 8.150 nan 0.000 0.414 272 A N 1.893 124.598 122.820 -0.192 0.000 2.572 272 A HA 0.840 5.134 4.320 -0.043 0.000 0.295 272 A C -0.636 176.904 177.584 -0.075 0.000 1.072 272 A CA -0.684 51.281 52.037 -0.120 0.000 0.691 272 A CB 1.297 20.243 19.000 -0.089 0.000 1.291 272 A HN 0.804 nan 8.150 nan 0.000 0.404 273 R N 0.115 120.584 120.500 -0.052 0.000 2.407 273 R HA 0.619 4.933 4.340 -0.043 0.000 0.303 273 R C -1.574 174.713 176.300 -0.022 0.000 0.981 273 R CA -0.496 55.586 56.100 -0.031 0.000 0.905 273 R CB 1.281 31.566 30.300 -0.025 0.000 1.099 273 R HN 0.523 nan 8.270 nan 0.000 0.459 274 L N 3.298 124.514 121.223 -0.012 0.000 2.324 274 L HA 0.364 4.678 4.340 -0.043 0.000 0.274 274 L C 0.883 177.753 176.870 0.001 0.000 1.012 274 L CA 0.272 55.109 54.840 -0.005 0.000 0.859 274 L CB 1.613 43.672 42.059 -0.001 0.000 1.224 274 L HN 0.967 nan 8.230 nan 0.000 0.429 275 G N 2.392 111.190 108.800 -0.003 0.000 2.596 275 G HA2 -0.410 3.524 3.960 -0.043 0.000 0.304 275 G HA3 -0.410 3.524 3.960 -0.043 0.000 0.304 275 G C 0.801 175.695 174.900 -0.009 0.000 1.189 275 G CA 0.628 45.725 45.100 -0.004 0.000 0.986 275 G HN 0.679 nan 8.290 nan 0.000 0.548 276 T N -2.003 112.543 114.554 -0.013 0.000 3.086 276 T HA 0.440 4.764 4.350 -0.043 0.000 0.250 276 T C 0.901 175.585 174.700 -0.026 0.000 1.074 276 T CA 1.423 63.506 62.100 -0.027 0.000 0.988 276 T CB 0.148 68.988 68.868 -0.047 0.000 0.988 276 T HN 0.745 nan 8.240 nan 0.000 0.530 277 T N 2.891 117.443 114.554 -0.003 0.000 2.743 277 T HA 0.403 4.726 4.350 -0.043 0.000 0.293 277 T C -0.211 174.496 174.700 0.012 0.000 0.945 277 T CA -0.532 61.581 62.100 0.021 0.000 1.030 277 T CB 1.164 70.075 68.868 0.072 0.000 0.912 277 T HN 0.240 nan 8.240 nan 0.000 0.483 278 R N 3.488 123.994 120.500 0.011 0.000 2.229 278 R HA 0.518 4.832 4.340 -0.043 0.000 0.328 278 R C -0.739 175.563 176.300 0.005 0.000 1.009 278 R CA -0.465 55.631 56.100 -0.006 0.000 0.864 278 R CB 0.401 30.693 30.300 -0.014 0.000 1.085 278 R HN 0.564 nan 8.270 nan 0.000 0.453 279 L N 5.487 126.700 121.223 -0.017 0.000 2.334 279 L HA 0.554 4.868 4.340 -0.043 0.000 0.273 279 L C -0.507 176.341 176.870 -0.036 0.000 1.013 279 L CA -0.925 53.908 54.840 -0.011 0.000 0.816 279 L CB 1.577 43.627 42.059 -0.015 0.000 1.278 279 L HN 0.432 nan 8.230 nan 0.000 0.431 280 L N 1.450 122.668 121.223 -0.007 0.000 2.341 280 L HA 0.700 5.014 4.340 -0.043 0.000 0.267 280 L C -1.140 175.736 176.870 0.010 0.000 1.009 280 L CA -0.580 54.256 54.840 -0.006 0.000 0.819 280 L CB 2.188 44.280 42.059 0.055 0.000 1.323 280 L HN 0.542 nan 8.230 nan 0.000 0.425 281 D N 0.502 120.906 120.400 0.007 0.000 2.622 281 D HA 0.448 5.062 4.640 -0.043 0.000 0.255 281 D C -1.789 174.520 176.300 0.015 0.000 1.246 281 D CA -0.326 53.684 54.000 0.016 0.000 0.795 281 D CB 2.590 43.388 40.800 -0.003 0.000 1.369 281 D HN 0.723 nan 8.370 nan 0.000 0.425 282 N N 0.173 118.872 118.700 -0.002 0.000 2.823 282 N HA 0.664 5.378 4.740 -0.043 0.000 0.251 282 N C -1.713 173.747 175.510 -0.083 0.000 1.392 282 N CA -0.782 52.235 53.050 -0.055 0.000 0.864 282 N CB 1.761 40.188 38.487 -0.101 0.000 1.481 282 N HN 0.411 nan 8.380 nan 0.000 0.508 283 I N -0.384 120.110 120.570 -0.127 0.000 2.918 283 I HA 0.707 4.851 4.170 -0.043 0.000 0.301 283 I C -0.971 175.058 176.117 -0.146 0.000 1.312 283 I CA -1.103 60.133 61.300 -0.105 0.000 1.007 283 I CB 2.074 40.040 38.000 -0.056 0.000 1.281 283 I HN 0.966 nan 8.210 nan 0.000 0.440 284 A N 7.092 129.841 122.820 -0.118 0.000 2.477 284 A HA 0.555 4.849 4.320 -0.043 0.000 0.246 284 A C -0.709 176.822 177.584 -0.089 0.000 1.078 284 A CA 0.104 52.079 52.037 -0.104 0.000 0.770 284 A CB 0.063 19.026 19.000 -0.062 0.000 1.011 284 A HN 0.457 nan 8.150 nan 0.000 0.494 285 I N 1.818 122.339 120.570 -0.081 0.000 2.466 285 I HA 0.333 4.477 4.170 -0.043 0.000 0.289 285 I C -0.619 175.464 176.117 -0.057 0.000 1.026 285 I CA -0.436 60.821 61.300 -0.072 0.000 1.078 285 I CB 1.701 39.665 38.000 -0.060 0.000 1.249 285 I HN 0.707 nan 8.210 nan 0.000 0.429 286 E N 5.785 125.948 120.200 -0.061 0.000 2.151 286 E HA 0.483 4.807 4.350 -0.043 0.000 0.275 286 E C -0.573 176.004 176.600 -0.040 0.000 0.936 286 E CA -0.503 55.870 56.400 -0.045 0.000 0.777 286 E CB 2.090 31.764 29.700 -0.044 0.000 1.108 286 E HN 0.266 nan 8.360 nan 0.000 0.401 287 I N 2.520 123.073 120.570 -0.028 0.000 2.325 287 I HA 0.285 4.429 4.170 -0.043 0.000 0.291 287 I C 1.234 177.341 176.117 -0.017 0.000 1.019 287 I CA 0.115 61.403 61.300 -0.022 0.000 1.302 287 I CB 0.393 38.383 38.000 -0.016 0.000 1.401 287 I HN 0.848 nan 8.210 nan 0.000 0.485 288 G N 4.334 113.125 108.800 -0.015 0.000 2.225 288 G HA2 -0.196 3.738 3.960 -0.043 0.000 0.264 288 G HA3 -0.196 3.738 3.960 -0.043 0.000 0.264 288 G C 0.316 175.211 174.900 -0.009 0.000 1.060 288 G CA 0.410 45.505 45.100 -0.010 0.000 0.833 288 G HN 1.094 nan 8.290 nan 0.000 0.498 289 T N -2.261 112.286 114.554 -0.013 0.000 2.963 289 T HA 0.916 5.240 4.350 -0.043 0.000 0.328 289 T C 0.624 175.308 174.700 -0.027 0.000 1.048 289 T CA 1.119 63.205 62.100 -0.024 0.000 1.033 289 T CB 0.059 68.908 68.868 -0.031 0.000 1.010 289 T HN 2.341 nan 8.240 nan 0.000 0.469 290 F N 0.000 119.935 119.950 -0.025 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 -0.019 0.000 1.383 290 F CB 0.000 38.989 39.000 -0.019 0.000 1.145 290 F HN 0.000 nan 8.300 nan 0.000 0.574