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 1uc9_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLAILYDRIR PDERMLFERA EALGLPYKKV YVPALPMVLG ERPKELEGVT DATA SEQUENCE VALERCVSQS RGLAAARYLT ALGIPVVNRP EVIEACGDKW ATSVALAKAG DATA SEQUENCE LPQPKTALAT DREEALRLME AFGYPVVLKP VIXXXXXX?? ?????????? DATA SEQUENCE ??XXXXXXXG FQHQLFYIQE YVEKPGRDIR VFVVGERAIA AIYRXXXXXX DATA SEQUENCE XXXXXXXXAE NCPLTEEVAR LSVKAAEAVG GGVVAVDLFE SERGLLVNEV DATA SEQUENCE NHTMEFKNSV HTTGVDIPGE ILKYAWSLAS 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.504 176.300 0.340 0.000 1.140 1 M CA 0.000 55.501 55.300 0.334 0.000 0.988 1 M CB 0.000 32.694 32.600 0.157 0.000 1.302 2 L N 2.305 123.739 121.223 0.353 0.000 2.417 2 L HA 0.885 5.229 4.340 0.006 0.000 0.268 2 L C -0.708 176.316 176.870 0.257 0.000 1.158 2 L CA 0.438 55.467 54.840 0.315 0.000 0.819 2 L CB 1.376 43.602 42.059 0.278 0.000 1.112 2 L HN 0.885 nan 8.230 nan 0.000 0.458 3 A N 6.161 129.117 122.820 0.227 0.000 2.335 3 A HA 0.656 4.980 4.320 0.006 0.000 0.304 3 A C -0.751 176.975 177.584 0.237 0.000 1.118 3 A CA -0.463 51.705 52.037 0.217 0.000 0.757 3 A CB 0.485 19.581 19.000 0.161 0.000 1.188 3 A HN 0.682 nan 8.150 nan 0.000 0.460 4 I N 3.842 124.592 120.570 0.300 0.000 2.307 4 I HA 0.189 4.362 4.170 0.006 0.000 0.287 4 I C -0.599 175.749 176.117 0.385 0.000 1.054 4 I CA -0.188 61.312 61.300 0.334 0.000 1.218 4 I CB 0.865 39.114 38.000 0.416 0.000 1.398 4 I HN 0.523 nan 8.210 nan 0.000 0.475 5 L N 8.223 129.617 121.223 0.285 0.000 2.319 5 L HA 0.343 4.687 4.340 0.006 0.000 0.280 5 L C -0.419 176.627 176.870 0.293 0.000 1.099 5 L CA -0.248 54.725 54.840 0.222 0.000 0.828 5 L CB 0.050 42.185 42.059 0.126 0.000 1.150 5 L HN 0.517 nan 8.230 nan 0.000 0.442 6 Y N 0.656 121.047 120.300 0.153 0.000 2.670 6 Y HA 0.560 5.113 4.550 0.006 0.000 0.334 6 Y C -0.670 175.299 175.900 0.115 0.000 1.185 6 Y CA -1.059 57.133 58.100 0.153 0.000 1.053 6 Y CB 1.200 39.804 38.460 0.239 0.000 1.298 6 Y HN 0.497 nan 8.280 nan 0.000 0.459 7 D N -0.249 120.244 120.400 0.155 0.000 3.050 7 D HA 0.222 4.866 4.640 0.006 0.000 0.281 7 D C -0.207 176.326 176.300 0.389 0.000 1.246 7 D CA 0.149 54.186 54.000 0.061 0.000 1.073 7 D CB 0.290 41.074 40.800 -0.027 0.000 1.382 7 D HN 0.430 nan 8.370 nan 0.000 0.433 8 R N 0.537 121.228 120.500 0.319 0.000 2.445 8 R HA 0.538 4.882 4.340 0.006 0.000 0.308 8 R C -0.475 175.961 176.300 0.227 0.000 0.961 8 R CA -0.670 55.588 56.100 0.263 0.000 0.862 8 R CB 2.241 32.626 30.300 0.143 0.000 1.144 8 R HN 0.168 nan 8.270 nan 0.000 0.447 9 I N 4.904 125.574 120.570 0.166 0.000 2.322 9 I HA 0.183 4.356 4.170 0.006 0.000 0.292 9 I C 0.350 176.446 176.117 -0.035 0.000 1.060 9 I CA -0.038 61.270 61.300 0.014 0.000 1.309 9 I CB 0.541 38.526 38.000 -0.026 0.000 1.415 9 I HN 0.336 nan 8.210 nan 0.000 0.492 10 R N 6.848 127.296 120.500 -0.088 0.000 2.782 10 R HA 0.392 4.736 4.340 0.006 0.000 0.258 10 R C -1.749 174.458 176.300 -0.156 0.000 1.055 10 R CA -1.461 54.579 56.100 -0.100 0.000 1.065 10 R CB 0.157 30.395 30.300 -0.103 0.000 1.172 10 R HN 0.211 nan 8.270 nan 0.000 0.510 11 P HA -0.182 nan 4.420 nan 0.000 0.217 11 P C -0.196 176.996 177.300 -0.180 0.000 1.148 11 P CA 1.412 64.435 63.100 -0.129 0.000 0.828 11 P CB 0.205 31.852 31.700 -0.088 0.000 0.783 12 D N -0.727 119.516 120.400 -0.261 0.000 2.104 12 D HA -0.171 4.473 4.640 0.006 0.000 0.194 12 D C 1.869 178.003 176.300 -0.277 0.000 0.994 12 D CA 1.178 54.941 54.000 -0.396 0.000 0.830 12 D CB -0.567 39.837 40.800 -0.659 0.000 0.959 12 D HN 0.202 nan 8.370 nan 0.000 0.452 13 E N -0.158 119.836 120.200 -0.344 0.000 2.106 13 E HA -0.096 4.258 4.350 0.006 0.000 0.192 13 E C 1.906 177.933 176.600 -0.955 0.000 0.984 13 E CA 0.591 56.650 56.400 -0.569 0.000 0.806 13 E CB 0.015 29.391 29.700 -0.540 0.000 0.750 13 E HN -0.007 nan 8.360 nan 0.000 0.458 14 R N 0.384 120.517 120.500 -0.612 0.000 2.083 14 R HA -0.046 4.298 4.340 0.006 0.000 0.237 14 R C 2.007 178.149 176.300 -0.263 0.000 1.137 14 R CA 1.702 57.541 56.100 -0.434 0.000 0.951 14 R CB -0.357 29.830 30.300 -0.188 0.000 0.851 14 R HN 0.212 nan 8.270 nan 0.000 0.434 15 M N -0.280 119.223 119.600 -0.162 0.000 2.159 15 M HA -0.138 4.345 4.480 0.006 0.000 0.263 15 M C 2.057 178.330 176.300 -0.045 0.000 1.063 15 M CA 1.437 56.712 55.300 -0.042 0.000 1.110 15 M CB -0.260 32.384 32.600 0.073 0.000 1.374 15 M HN 0.139 nan 8.290 nan 0.000 0.411 16 L N -0.836 120.328 121.223 -0.099 0.000 2.017 16 L HA -0.181 4.162 4.340 0.006 0.000 0.208 16 L C 2.352 179.207 176.870 -0.025 0.000 1.073 16 L CA 1.509 56.312 54.840 -0.061 0.000 0.745 16 L CB -0.690 41.339 42.059 -0.051 0.000 0.894 16 L HN 0.259 nan 8.230 nan 0.000 0.432 17 F N 0.350 120.216 119.950 -0.140 0.000 2.069 17 F HA -0.264 4.267 4.527 0.006 0.000 0.298 17 F C 2.607 178.335 175.800 -0.120 0.000 1.113 17 F CA 0.940 58.837 58.000 -0.173 0.000 1.214 17 F CB -0.353 38.630 39.000 -0.027 0.000 0.978 17 F HN 0.133 nan 8.300 nan 0.000 0.474 18 E N 0.124 120.404 120.200 0.133 0.000 2.085 18 E HA -0.201 4.153 4.350 0.006 0.000 0.194 18 E C 2.267 178.872 176.600 0.007 0.000 0.994 18 E CA 0.791 57.229 56.400 0.064 0.000 0.801 18 E CB -0.132 29.589 29.700 0.036 0.000 0.743 18 E HN 0.229 nan 8.360 nan 0.000 0.453 19 R N 0.246 120.727 120.500 -0.031 0.000 2.092 19 R HA -0.001 4.343 4.340 0.006 0.000 0.231 19 R C 2.174 178.423 176.300 -0.086 0.000 1.119 19 R CA 1.070 57.133 56.100 -0.062 0.000 0.970 19 R CB -0.669 29.581 30.300 -0.084 0.000 0.864 19 R HN 0.158 nan 8.270 nan 0.000 0.440 20 A N 1.133 123.869 122.820 -0.140 0.000 1.933 20 A HA -0.162 4.162 4.320 0.006 0.000 0.218 20 A C 2.029 179.576 177.584 -0.061 0.000 1.175 20 A CA 1.374 53.288 52.037 -0.205 0.000 0.628 20 A CB -0.289 18.368 19.000 -0.571 0.000 0.814 20 A HN 0.331 nan 8.150 nan 0.000 0.444 21 E N -0.338 119.875 120.200 0.021 0.000 2.072 21 E HA -0.063 4.291 4.350 0.006 0.000 0.191 21 E C 2.263 178.875 176.600 0.020 0.000 0.985 21 E CA 0.999 57.448 56.400 0.082 0.000 0.801 21 E CB -0.242 29.521 29.700 0.105 0.000 0.750 21 E HN 0.617 nan 8.360 nan 0.000 0.452 22 A N 0.693 123.511 122.820 -0.004 0.000 1.929 22 A HA -0.082 4.242 4.320 0.006 0.000 0.216 22 A C 2.068 179.633 177.584 -0.032 0.000 1.176 22 A CA 0.792 52.819 52.037 -0.017 0.000 0.628 22 A CB -0.397 18.590 19.000 -0.022 0.000 0.816 22 A HN 0.144 nan 8.150 nan 0.000 0.444 23 L N -0.960 120.232 121.223 -0.051 0.000 2.376 23 L HA 0.082 4.425 4.340 0.006 0.000 0.219 23 L C 1.597 178.420 176.870 -0.077 0.000 1.133 23 L CA 0.575 55.373 54.840 -0.069 0.000 0.816 23 L CB -0.444 41.557 42.059 -0.097 0.000 0.933 23 L HN 0.589 nan 8.230 nan 0.000 0.449 24 G N 1.339 110.101 108.800 -0.064 0.000 2.256 24 G HA2 -0.300 3.664 3.960 0.006 0.000 0.272 24 G HA3 -0.300 3.664 3.960 0.006 0.000 0.272 24 G C -0.182 174.636 174.900 -0.136 0.000 1.076 24 G CA 0.029 45.089 45.100 -0.067 0.000 0.882 24 G HN 0.268 nan 8.290 nan 0.000 0.497 25 L N 1.778 122.894 121.223 -0.179 0.000 2.276 25 L HA 0.493 4.836 4.340 0.006 0.000 0.286 25 L C -1.495 175.239 176.870 -0.226 0.000 1.024 25 L CA -2.347 52.264 54.840 -0.381 0.000 0.826 25 L CB 1.357 43.150 42.059 -0.443 0.000 1.211 25 L HN 0.025 nan 8.230 nan 0.000 0.422 26 P HA 0.057 nan 4.420 nan 0.000 0.262 26 P C -1.622 175.683 177.300 0.009 0.000 1.199 26 P CA 0.477 63.509 63.100 -0.113 0.000 0.763 26 P CB 0.304 31.950 31.700 -0.090 0.000 0.790 27 Y N 1.108 121.349 120.300 -0.097 0.000 2.764 27 Y HA 0.730 5.284 4.550 0.006 0.000 0.331 27 Y C -1.599 174.281 175.900 -0.035 0.000 1.280 27 Y CA -1.360 56.714 58.100 -0.042 0.000 1.065 27 Y CB 1.436 39.871 38.460 -0.042 0.000 1.319 27 Y HN 0.505 nan 8.280 nan 0.000 0.453 28 K N 0.852 121.165 120.400 -0.144 0.000 2.562 28 K HA 0.528 4.851 4.320 0.006 0.000 0.267 28 K C -2.055 174.573 176.600 0.046 0.000 0.938 28 K CA -1.137 55.004 56.287 -0.243 0.000 0.840 28 K CB 2.558 34.991 32.500 -0.111 0.000 1.390 28 K HN 0.683 nan 8.250 nan 0.000 0.428 29 K N 1.468 121.860 120.400 -0.013 0.000 2.249 29 K HA 0.374 4.698 4.320 0.006 0.000 0.280 29 K C -0.785 175.969 176.600 0.258 0.000 1.033 29 K CA -0.870 55.516 56.287 0.165 0.000 0.946 29 K CB 1.657 34.166 32.500 0.014 0.000 1.005 29 K HN 0.312 nan 8.250 nan 0.000 0.469 30 V N 3.899 124.020 119.914 0.346 0.000 2.409 30 V HA 0.078 4.201 4.120 0.006 0.000 0.290 30 V C -1.113 174.941 176.094 -0.067 0.000 1.017 30 V CA -0.886 61.508 62.300 0.158 0.000 0.841 30 V CB 0.733 32.626 31.823 0.116 0.000 1.003 30 V HN 0.684 nan 8.190 nan 0.000 0.426 31 Y N 4.796 124.929 120.300 -0.279 0.000 2.640 31 Y HA 0.200 4.754 4.550 0.006 0.000 0.355 31 Y C 1.289 177.018 175.900 -0.285 0.000 1.088 31 Y CA 0.034 57.817 58.100 -0.528 0.000 1.443 31 Y CB 1.019 39.316 38.460 -0.272 0.000 1.224 31 Y HN 0.536 nan 8.280 nan 0.000 0.516 32 V N 7.610 127.174 119.914 -0.584 0.000 2.282 32 V HA -0.258 3.865 4.120 0.006 0.000 0.249 32 V C -0.597 175.210 176.094 -0.478 0.000 1.057 32 V CA 1.890 63.943 62.300 -0.413 0.000 1.032 32 V CB -1.587 30.068 31.823 -0.279 0.000 0.645 32 V HN 0.658 nan 8.190 nan 0.000 0.447 33 P HA -0.177 nan 4.420 nan 0.000 0.218 33 P C 1.016 178.141 177.300 -0.293 0.000 1.146 33 P CA 2.052 64.845 63.100 -0.511 0.000 0.820 33 P CB -0.091 31.233 31.700 -0.627 0.000 0.778 34 A N -2.135 120.526 122.820 -0.265 0.000 2.465 34 A HA 0.212 4.536 4.320 0.006 0.000 0.255 34 A C 0.451 178.010 177.584 -0.042 0.000 1.274 34 A CA -0.259 51.760 52.037 -0.029 0.000 0.920 34 A CB -0.627 18.480 19.000 0.177 0.000 1.033 34 A HN 0.114 nan 8.150 nan 0.000 0.516 35 L N 2.320 123.481 121.223 -0.103 0.000 2.281 35 L HA 0.405 4.748 4.340 0.006 0.000 0.285 35 L C -2.229 174.576 176.870 -0.108 0.000 1.074 35 L CA -1.856 52.938 54.840 -0.078 0.000 0.817 35 L CB 0.623 42.633 42.059 -0.082 0.000 1.168 35 L HN 0.037 nan 8.230 nan 0.000 0.434 36 P HA 0.156 nan 4.420 nan 0.000 0.280 36 P C -1.102 176.078 177.300 -0.201 0.000 1.300 36 P CA -0.050 62.986 63.100 -0.107 0.000 0.785 36 P CB 0.547 32.219 31.700 -0.046 0.000 0.874 37 M N 3.756 123.134 119.600 -0.370 0.000 2.385 37 M HA 0.243 4.726 4.480 0.006 0.000 0.346 37 M C -0.549 175.448 176.300 -0.505 0.000 1.180 37 M CA -0.640 54.135 55.300 -0.875 0.000 1.154 37 M CB 1.101 33.023 32.600 -1.129 0.000 1.251 37 M HN 0.007 nan 8.290 nan 0.000 0.430 38 V N 4.147 123.968 119.914 -0.154 0.000 2.347 38 V HA 0.354 4.478 4.120 0.006 0.000 0.280 38 V C 0.407 176.634 176.094 0.220 0.000 1.021 38 V CA -0.750 61.568 62.300 0.029 0.000 0.847 38 V CB 1.441 33.285 31.823 0.034 0.000 0.990 38 V HN 0.720 nan 8.190 nan 0.000 0.444 39 L N 4.748 126.096 121.223 0.209 0.000 2.540 39 L HA 0.330 4.674 4.340 0.006 0.000 0.276 39 L C 1.500 178.438 176.870 0.115 0.000 1.212 39 L CA 1.412 56.377 54.840 0.208 0.000 0.893 39 L CB 0.060 42.197 42.059 0.130 0.000 1.138 39 L HN 1.012 nan 8.230 nan 0.000 0.491 40 G N 2.166 111.013 108.800 0.078 0.000 2.213 40 G HA2 -0.220 3.744 3.960 0.006 0.000 0.236 40 G HA3 -0.220 3.744 3.960 0.006 0.000 0.236 40 G C 0.015 174.940 174.900 0.043 0.000 0.991 40 G CA 0.221 45.346 45.100 0.042 0.000 0.629 40 G HN 0.772 nan 8.290 nan 0.000 0.517 41 E N -0.221 120.025 120.200 0.076 0.000 2.302 41 E HA 0.526 4.879 4.350 0.006 0.000 0.263 41 E C -0.211 176.449 176.600 0.099 0.000 0.897 41 E CA -1.079 55.361 56.400 0.067 0.000 0.809 41 E CB 1.492 31.225 29.700 0.056 0.000 1.270 41 E HN 0.308 nan 8.360 nan 0.000 0.410 42 R N 3.851 124.386 120.500 0.058 0.000 2.484 42 R HA 0.162 4.506 4.340 0.006 0.000 0.293 42 R C -1.993 174.356 176.300 0.082 0.000 1.023 42 R CA -0.938 55.200 56.100 0.064 0.000 1.037 42 R CB 0.175 30.485 30.300 0.016 0.000 0.951 42 R HN 0.365 nan 8.270 nan 0.000 0.418 43 P HA 0.033 nan 4.420 nan 0.000 0.269 43 P C 0.057 177.393 177.300 0.060 0.000 1.215 43 P CA -0.386 62.767 63.100 0.088 0.000 0.780 43 P CB 0.689 32.455 31.700 0.109 0.000 0.898 44 K N 1.545 121.971 120.400 0.044 0.000 2.057 44 K HA -0.169 4.155 4.320 0.006 0.000 0.207 44 K C 1.473 178.095 176.600 0.035 0.000 1.049 44 K CA 1.733 58.040 56.287 0.033 0.000 0.931 44 K CB -0.294 32.221 32.500 0.025 0.000 0.714 44 K HN 0.493 nan 8.250 nan 0.000 0.440 45 E N 0.755 120.980 120.200 0.042 0.000 2.265 45 E HA -0.089 4.265 4.350 0.006 0.000 0.196 45 E C 1.559 178.191 176.600 0.053 0.000 0.996 45 E CA 0.611 57.038 56.400 0.045 0.000 0.832 45 E CB -0.094 29.636 29.700 0.051 0.000 0.756 45 E HN 0.223 nan 8.360 nan 0.000 0.491 46 L N 0.868 122.126 121.223 0.059 0.000 2.607 46 L HA 0.130 4.473 4.340 0.006 0.000 0.228 46 L C 0.017 176.913 176.870 0.044 0.000 1.123 46 L CA -0.153 54.723 54.840 0.060 0.000 0.890 46 L CB -0.017 42.084 42.059 0.071 0.000 1.103 46 L HN 0.025 nan 8.230 nan 0.000 0.468 47 E N 0.940 121.162 120.200 0.036 0.000 2.480 47 E HA 0.136 4.490 4.350 0.006 0.000 0.258 47 E C 1.077 177.695 176.600 0.029 0.000 0.984 47 E CA 0.674 57.090 56.400 0.027 0.000 0.930 47 E CB 0.367 30.080 29.700 0.021 0.000 0.936 47 E HN 0.344 nan 8.360 nan 0.000 0.466 48 G N 2.137 110.954 108.800 0.029 0.000 2.157 48 G HA2 -0.272 3.691 3.960 0.006 0.000 0.248 48 G HA3 -0.272 3.691 3.960 0.006 0.000 0.248 48 G C 0.219 175.153 174.900 0.057 0.000 0.979 48 G CA -0.038 45.084 45.100 0.038 0.000 0.650 48 G HN 0.427 nan 8.290 nan 0.000 0.529 49 V N 1.754 121.701 119.914 0.055 0.000 2.432 49 V HA 0.525 4.649 4.120 0.006 0.000 0.271 49 V C 1.522 177.651 176.094 0.058 0.000 1.046 49 V CA 0.834 63.180 62.300 0.075 0.000 0.945 49 V CB 1.297 33.165 31.823 0.075 0.000 0.992 49 V HN 0.641 nan 8.190 nan 0.000 0.471 50 T N 1.450 116.050 114.554 0.077 0.000 3.023 50 T HA 0.349 4.703 4.350 0.006 0.000 0.253 50 T C 0.104 174.812 174.700 0.015 0.000 1.038 50 T CA -0.008 62.107 62.100 0.025 0.000 0.962 50 T CB 0.727 69.589 68.868 -0.011 0.000 1.018 50 T HN 0.490 nan 8.240 nan 0.000 0.521 51 V N 0.048 120.006 119.914 0.074 0.000 3.108 51 V HA 0.743 4.867 4.120 0.006 0.000 0.287 51 V C -2.030 174.135 176.094 0.118 0.000 1.436 51 V CA -0.507 61.835 62.300 0.070 0.000 1.001 51 V CB 1.721 33.579 31.823 0.059 0.000 1.141 51 V HN 0.664 nan 8.190 nan 0.000 0.443 52 A N 4.834 127.714 122.820 0.099 0.000 2.401 52 A HA 0.940 5.263 4.320 0.006 0.000 0.310 52 A C -1.698 175.963 177.584 0.128 0.000 1.075 52 A CA -0.631 51.480 52.037 0.123 0.000 0.746 52 A CB 1.804 20.867 19.000 0.105 0.000 1.277 52 A HN 1.497 nan 8.150 nan 0.000 0.425 53 L N 1.091 122.406 121.223 0.154 0.000 2.316 53 L HA 0.460 4.804 4.340 0.006 0.000 0.280 53 L C -0.123 176.845 176.870 0.164 0.000 1.006 53 L CA -0.084 54.852 54.840 0.159 0.000 0.836 53 L CB 1.357 43.518 42.059 0.170 0.000 1.221 53 L HN 0.714 nan 8.230 nan 0.000 0.418 54 E N 5.024 125.311 120.200 0.144 0.000 2.003 54 E HA 0.150 4.504 4.350 0.006 0.000 0.279 54 E C -0.360 176.331 176.600 0.152 0.000 1.132 54 E CA -0.061 56.419 56.400 0.134 0.000 0.888 54 E CB 0.383 30.143 29.700 0.099 0.000 1.056 54 E HN 0.467 nan 8.360 nan 0.000 0.399 55 R N 3.040 123.642 120.500 0.169 0.000 2.767 55 R HA 0.200 4.543 4.340 0.006 0.000 0.377 55 R C -0.492 175.904 176.300 0.159 0.000 1.151 55 R CA -0.317 55.882 56.100 0.166 0.000 1.046 55 R CB -0.459 29.948 30.300 0.179 0.000 1.404 55 R HN 0.389 nan 8.270 nan 0.000 0.580 56 C N 0.163 119.542 119.300 0.131 0.000 2.536 56 C HA 0.137 4.601 4.460 0.006 0.000 0.396 56 C C 2.481 177.528 174.990 0.095 0.000 1.279 56 C CA -0.622 58.458 59.018 0.104 0.000 2.148 56 C CB 1.234 29.006 27.740 0.052 0.000 2.584 56 C HN 0.259 nan 8.230 nan 0.000 0.579 57 V N 2.423 122.385 119.914 0.080 0.000 2.453 57 V HA -0.074 4.050 4.120 0.006 0.000 0.247 57 V C 1.441 177.570 176.094 0.057 0.000 1.048 57 V CA 1.616 63.952 62.300 0.059 0.000 1.049 57 V CB -0.340 31.513 31.823 0.050 0.000 0.672 57 V HN 0.907 nan 8.190 nan 0.000 0.457 58 S N -0.405 115.324 115.700 0.049 0.000 2.505 58 S HA 0.103 4.576 4.470 0.006 0.000 0.276 58 S C 1.035 175.670 174.600 0.058 0.000 1.274 58 S CA -0.327 57.897 58.200 0.041 0.000 1.053 58 S CB 1.115 64.325 63.200 0.017 0.000 0.919 58 S HN 0.449 nan 8.310 nan 0.000 0.490 59 Q N 2.921 122.765 119.800 0.074 0.000 2.016 59 Q HA -0.104 4.239 4.340 0.006 0.000 0.200 59 Q C 2.445 178.466 176.000 0.036 0.000 0.978 59 Q CA 1.786 57.643 55.803 0.091 0.000 0.833 59 Q CB -0.366 28.444 28.738 0.120 0.000 0.895 59 Q HN 0.995 nan 8.270 nan 0.000 0.427 60 S N 0.870 116.587 115.700 0.028 0.000 2.370 60 S HA -0.253 4.221 4.470 0.006 0.000 0.226 60 S C 1.958 176.558 174.600 0.000 0.000 1.033 60 S CA 1.386 59.594 58.200 0.014 0.000 1.011 60 S CB -0.344 62.863 63.200 0.012 0.000 0.852 60 S HN 0.299 nan 8.310 nan 0.000 0.457 61 R N 1.430 121.928 120.500 -0.004 0.000 2.062 61 R HA 0.003 4.347 4.340 0.006 0.000 0.231 61 R C 2.600 178.891 176.300 -0.015 0.000 1.136 61 R CA 1.505 57.592 56.100 -0.022 0.000 0.948 61 R CB -1.221 29.056 30.300 -0.038 0.000 0.845 61 R HN 0.517 nan 8.270 nan 0.000 0.430 62 G N 1.356 110.158 108.800 0.003 0.000 2.442 62 G HA2 -0.274 3.690 3.960 0.006 0.000 0.219 62 G HA3 -0.274 3.690 3.960 0.006 0.000 0.219 62 G C 1.307 176.201 174.900 -0.010 0.000 1.141 62 G CA 0.802 45.908 45.100 0.010 0.000 0.763 62 G HN 0.335 nan 8.290 nan 0.000 0.554 63 L N 1.173 122.380 121.223 -0.028 0.000 2.109 63 L HA 0.294 4.638 4.340 0.006 0.000 0.207 63 L C 3.001 179.870 176.870 -0.001 0.000 1.086 63 L CA 1.956 56.775 54.840 -0.035 0.000 0.760 63 L CB -0.709 41.324 42.059 -0.043 0.000 0.910 63 L HN 0.209 nan 8.230 nan 0.000 0.437 64 A N -0.362 122.459 122.820 0.003 0.000 1.902 64 A HA -0.087 4.237 4.320 0.006 0.000 0.217 64 A C 2.432 180.038 177.584 0.036 0.000 1.181 64 A CA 1.768 53.812 52.037 0.012 0.000 0.623 64 A CB -1.102 17.891 19.000 -0.011 0.000 0.818 64 A HN 0.561 nan 8.150 nan 0.000 0.443 65 A N -0.297 122.540 122.820 0.029 0.000 1.929 65 A HA 0.252 4.575 4.320 0.006 0.000 0.216 65 A C 2.472 180.120 177.584 0.106 0.000 1.176 65 A CA 1.781 53.861 52.037 0.070 0.000 0.628 65 A CB -0.911 18.110 19.000 0.035 0.000 0.816 65 A HN 1.010 nan 8.150 nan 0.000 0.444 66 A N -0.117 122.739 122.820 0.060 0.000 1.933 66 A HA -0.155 4.169 4.320 0.006 0.000 0.218 66 A C 2.242 179.856 177.584 0.050 0.000 1.175 66 A CA 1.522 53.587 52.037 0.048 0.000 0.628 66 A CB -0.431 18.579 19.000 0.017 0.000 0.814 66 A HN 0.543 nan 8.150 nan 0.000 0.444 67 R N -2.244 118.291 120.500 0.059 0.000 2.066 67 R HA -0.136 4.207 4.340 0.006 0.000 0.232 67 R C 2.164 178.521 176.300 0.096 0.000 1.131 67 R CA 1.632 57.769 56.100 0.061 0.000 0.955 67 R CB -0.547 29.788 30.300 0.060 0.000 0.851 67 R HN 0.649 nan 8.270 nan 0.000 0.432 68 Y N 1.542 121.839 120.300 -0.005 0.000 2.128 68 Y HA -0.235 4.318 4.550 0.006 0.000 0.284 68 Y C 1.973 177.873 175.900 -0.000 0.000 1.154 68 Y CA 1.382 59.480 58.100 -0.004 0.000 1.149 68 Y CB -0.299 38.157 38.460 -0.007 0.000 0.976 68 Y HN -0.026 nan 8.280 nan 0.000 0.505 69 L N -0.032 121.179 121.223 -0.019 0.000 2.079 69 L HA -0.226 4.118 4.340 0.006 0.000 0.210 69 L C 2.532 179.333 176.870 -0.116 0.000 1.081 69 L CA 2.489 57.267 54.840 -0.104 0.000 0.752 69 L CB -1.932 40.127 42.059 0.000 0.000 0.896 69 L HN 0.489 nan 8.230 nan 0.000 0.433 70 T N -2.908 111.607 114.554 -0.064 0.000 2.915 70 T HA -0.068 4.286 4.350 0.006 0.000 0.269 70 T C 1.905 176.554 174.700 -0.085 0.000 1.071 70 T CA 0.964 63.029 62.100 -0.057 0.000 1.132 70 T CB -0.198 68.655 68.868 -0.026 0.000 0.878 70 T HN 0.259 nan 8.240 nan 0.000 0.479 71 A N 1.340 124.089 122.820 -0.118 0.000 2.014 71 A HA 0.341 4.664 4.320 0.006 0.000 0.218 71 A C 2.270 179.745 177.584 -0.183 0.000 1.163 71 A CA 0.754 52.715 52.037 -0.126 0.000 0.652 71 A CB -0.652 18.287 19.000 -0.102 0.000 0.808 71 A HN 0.568 nan 8.150 nan 0.000 0.449 72 L N -0.997 120.058 121.223 -0.280 0.000 2.599 72 L HA 0.162 4.506 4.340 0.006 0.000 0.230 72 L C 1.581 178.367 176.870 -0.140 0.000 1.141 72 L CA 0.490 55.182 54.840 -0.246 0.000 0.877 72 L CB -0.323 41.533 42.059 -0.338 0.000 1.009 72 L HN 0.563 nan 8.230 nan 0.000 0.447 73 G N 1.252 109.985 108.800 -0.113 0.000 2.160 73 G HA2 -0.288 3.676 3.960 0.006 0.000 0.251 73 G HA3 -0.288 3.676 3.960 0.006 0.000 0.251 73 G C 0.085 174.945 174.900 -0.066 0.000 1.008 73 G CA -0.085 44.969 45.100 -0.076 0.000 0.724 73 G HN 0.333 nan 8.290 nan 0.000 0.514 74 I N 2.303 122.831 120.570 -0.071 0.000 2.339 74 I HA 0.301 4.475 4.170 0.006 0.000 0.290 74 I C -1.638 174.459 176.117 -0.033 0.000 0.994 74 I CA -2.514 58.758 61.300 -0.047 0.000 1.191 74 I CB 1.721 39.698 38.000 -0.038 0.000 1.343 74 I HN -0.087 nan 8.210 nan 0.000 0.458 75 P HA 0.004 nan 4.420 nan 0.000 0.268 75 P C -0.730 176.569 177.300 -0.002 0.000 1.204 75 P CA 0.079 63.163 63.100 -0.026 0.000 0.768 75 P CB 1.743 33.415 31.700 -0.048 0.000 0.842 76 V N 4.971 124.891 119.914 0.010 0.000 2.487 76 V HA 0.181 4.305 4.120 0.006 0.000 0.298 76 V C -0.324 175.801 176.094 0.052 0.000 1.028 76 V CA -0.980 61.343 62.300 0.037 0.000 0.860 76 V CB 2.230 34.077 31.823 0.039 0.000 0.991 76 V HN 0.222 nan 8.190 nan 0.000 0.427 77 V N 7.729 127.691 119.914 0.079 0.000 2.397 77 V HA 0.380 4.504 4.120 0.006 0.000 0.262 77 V C 0.014 176.183 176.094 0.124 0.000 1.047 77 V CA 0.212 62.581 62.300 0.115 0.000 1.003 77 V CB -0.256 31.661 31.823 0.156 0.000 1.037 77 V HN 1.118 nan 8.190 nan 0.000 0.480 78 N N 3.874 122.642 118.700 0.113 0.000 3.048 78 N HA -0.109 4.634 4.740 0.006 0.000 0.262 78 N C -0.128 175.410 175.510 0.047 0.000 1.340 78 N CA 0.088 53.191 53.050 0.089 0.000 1.148 78 N CB -0.075 38.475 38.487 0.106 0.000 0.994 78 N HN 0.703 nan 8.380 nan 0.000 0.507 79 R N 2.735 123.256 120.500 0.036 0.000 2.707 79 R HA 0.187 4.531 4.340 0.006 0.000 0.270 79 R C -1.356 174.940 176.300 -0.006 0.000 1.083 79 R CA -1.239 54.870 56.100 0.015 0.000 1.182 79 R CB 0.203 30.511 30.300 0.014 0.000 1.084 79 R HN 0.225 nan 8.270 nan 0.000 0.528 80 P HA -0.252 nan 4.420 nan 0.000 0.215 80 P C 0.887 178.167 177.300 -0.033 0.000 1.157 80 P CA 1.440 64.525 63.100 -0.025 0.000 0.874 80 P CB 0.097 31.791 31.700 -0.010 0.000 0.790 81 E N -0.391 119.797 120.200 -0.021 0.000 2.085 81 E HA -0.134 4.219 4.350 0.006 0.000 0.194 81 E C 2.045 178.632 176.600 -0.022 0.000 0.994 81 E CA 1.314 57.701 56.400 -0.022 0.000 0.801 81 E CB -1.642 28.048 29.700 -0.016 0.000 0.743 81 E HN 0.136 nan 8.360 nan 0.000 0.453 82 V N 1.948 121.855 119.914 -0.013 0.000 2.358 82 V HA -0.202 3.921 4.120 0.006 0.000 0.246 82 V C 2.611 178.695 176.094 -0.015 0.000 1.047 82 V CA 1.438 63.738 62.300 0.001 0.000 1.035 82 V CB -0.494 31.344 31.823 0.026 0.000 0.658 82 V HN 0.160 nan 8.190 nan 0.000 0.452 83 I N 0.974 121.493 120.570 -0.086 0.000 2.163 83 I HA -0.296 3.878 4.170 0.006 0.000 0.243 83 I C 2.686 178.696 176.117 -0.178 0.000 1.085 83 I CA 2.293 63.427 61.300 -0.277 0.000 1.347 83 I CB -0.468 37.312 38.000 -0.365 0.000 1.044 83 I HN 0.551 nan 8.210 nan 0.000 0.408 84 E N 1.711 121.857 120.200 -0.089 0.000 2.158 84 E HA -0.106 4.248 4.350 0.006 0.000 0.191 84 E C 2.152 178.751 176.600 -0.003 0.000 0.982 84 E CA 0.998 57.377 56.400 -0.035 0.000 0.823 84 E CB -0.291 29.392 29.700 -0.027 0.000 0.766 84 E HN 0.405 nan 8.360 nan 0.000 0.468 85 A N 0.650 123.466 122.820 -0.008 0.000 2.067 85 A HA -0.074 4.250 4.320 0.006 0.000 0.219 85 A C 2.176 179.772 177.584 0.020 0.000 1.158 85 A CA 1.079 53.113 52.037 -0.004 0.000 0.661 85 A CB -0.625 18.367 19.000 -0.014 0.000 0.801 85 A HN 0.497 nan 8.150 nan 0.000 0.452 86 C N -1.942 117.394 119.300 0.061 0.000 2.541 86 C HA 0.228 4.691 4.460 0.006 0.000 0.284 86 C C 2.768 177.828 174.990 0.117 0.000 1.341 86 C CA 0.415 59.495 59.018 0.103 0.000 1.732 86 C CB -1.037 26.820 27.740 0.195 0.000 2.126 86 C HN 0.649 nan 8.230 nan 0.000 0.505 87 G N -0.260 108.648 108.800 0.180 0.000 2.776 87 G HA2 -0.026 3.938 3.960 0.006 0.000 0.209 87 G HA3 -0.026 3.938 3.960 0.006 0.000 0.209 87 G C 0.095 175.031 174.900 0.061 0.000 1.145 87 G CA 0.603 45.788 45.100 0.141 0.000 0.791 87 G HN 0.521 nan 8.290 nan 0.000 0.530 88 D N -0.137 120.291 120.400 0.046 0.000 2.462 88 D HA 0.240 4.883 4.640 0.006 0.000 0.245 88 D C 1.114 177.433 176.300 0.032 0.000 1.122 88 D CA -0.525 53.501 54.000 0.043 0.000 0.864 88 D CB 1.035 41.876 40.800 0.068 0.000 1.098 88 D HN -0.021 nan 8.370 nan 0.000 0.541 89 K N 2.375 122.751 120.400 -0.040 0.000 2.152 89 K HA -0.137 4.187 4.320 0.006 0.000 0.206 89 K C 1.678 178.382 176.600 0.174 0.000 1.048 89 K CA 0.901 57.118 56.287 -0.118 0.000 0.933 89 K CB 0.240 32.378 32.500 -0.605 0.000 0.721 89 K HN 0.601 nan 8.250 nan 0.000 0.447 90 W N 1.099 122.439 121.300 0.067 0.000 2.418 90 W HA -0.117 4.549 4.660 0.009 0.000 0.292 90 W C 1.948 178.529 176.519 0.104 0.000 1.213 90 W CA 1.034 58.502 57.345 0.205 0.000 1.283 90 W CB 0.059 29.620 29.460 0.170 0.000 1.119 90 W HN 0.083 nan 8.180 nan 0.000 0.542 91 A N 0.230 123.102 122.820 0.087 0.000 1.877 91 A HA -0.260 4.064 4.320 0.006 0.000 0.216 91 A C 1.899 179.425 177.584 -0.097 0.000 1.186 91 A CA 2.522 54.521 52.037 -0.064 0.000 0.620 91 A CB -1.575 17.424 19.000 -0.002 0.000 0.822 91 A HN 0.323 nan 8.150 nan 0.000 0.443 92 T N -1.108 113.428 114.554 -0.031 0.000 2.746 92 T HA -0.122 4.232 4.350 0.006 0.000 0.267 92 T C 2.111 176.776 174.700 -0.057 0.000 1.039 92 T CA 2.254 64.333 62.100 -0.036 0.000 1.142 92 T CB -0.425 68.436 68.868 -0.012 0.000 0.866 92 T HN 0.387 nan 8.240 nan 0.000 0.444 93 S N 0.285 115.968 115.700 -0.028 0.000 2.382 93 S HA -0.046 4.428 4.470 0.006 0.000 0.228 93 S C 2.095 176.569 174.600 -0.210 0.000 1.027 93 S CA 1.124 59.292 58.200 -0.053 0.000 0.991 93 S CB -0.494 62.754 63.200 0.081 0.000 0.823 93 S HN 0.389 nan 8.310 nan 0.000 0.469 94 V N 1.826 121.510 119.914 -0.383 0.000 2.343 94 V HA -0.209 3.915 4.120 0.006 0.000 0.247 94 V C 2.602 178.562 176.094 -0.222 0.000 1.051 94 V CA 1.746 63.797 62.300 -0.415 0.000 1.036 94 V CB -1.065 30.433 31.823 -0.543 0.000 0.654 94 V HN 0.543 nan 8.190 nan 0.000 0.451 95 A N -0.455 122.264 122.820 -0.168 0.000 1.933 95 A HA -0.143 4.181 4.320 0.006 0.000 0.218 95 A C 2.162 179.694 177.584 -0.087 0.000 1.175 95 A CA 1.700 53.672 52.037 -0.108 0.000 0.628 95 A CB -0.477 18.474 19.000 -0.082 0.000 0.814 95 A HN 0.526 nan 8.150 nan 0.000 0.444 96 L N -0.974 120.198 121.223 -0.085 0.000 2.093 96 L HA -0.127 4.217 4.340 0.006 0.000 0.208 96 L C 3.045 179.876 176.870 -0.065 0.000 1.085 96 L CA 0.872 55.672 54.840 -0.065 0.000 0.755 96 L CB -0.536 41.489 42.059 -0.056 0.000 0.904 96 L HN 0.422 nan 8.230 nan 0.000 0.435 97 A N 0.466 123.236 122.820 -0.084 0.000 1.873 97 A HA -0.199 4.124 4.320 0.006 0.000 0.215 97 A C 2.316 179.861 177.584 -0.064 0.000 1.186 97 A CA 1.565 53.558 52.037 -0.074 0.000 0.616 97 A CB -0.313 18.628 19.000 -0.099 0.000 0.823 97 A HN 0.293 nan 8.150 nan 0.000 0.442 98 K N -0.250 120.105 120.400 -0.075 0.000 2.147 98 K HA -0.003 4.320 4.320 0.006 0.000 0.205 98 K C 1.739 178.312 176.600 -0.046 0.000 1.049 98 K CA 1.051 57.302 56.287 -0.059 0.000 0.936 98 K CB -0.226 32.235 32.500 -0.066 0.000 0.722 98 K HN 0.424 nan 8.250 nan 0.000 0.446 99 A N 0.570 123.362 122.820 -0.047 0.000 2.278 99 A HA 0.226 4.550 4.320 0.006 0.000 0.212 99 A C 1.091 178.655 177.584 -0.033 0.000 1.213 99 A CA 0.477 52.491 52.037 -0.037 0.000 0.840 99 A CB -0.383 18.594 19.000 -0.038 0.000 0.866 99 A HN 0.347 nan 8.150 nan 0.000 0.489 100 G N -0.686 108.094 108.800 -0.034 0.000 2.323 100 G HA2 -0.169 3.794 3.960 0.006 0.000 0.292 100 G HA3 -0.169 3.794 3.960 0.006 0.000 0.292 100 G C -0.298 174.586 174.900 -0.027 0.000 1.040 100 G CA 0.380 45.464 45.100 -0.028 0.000 0.942 100 G HN 0.315 nan 8.290 nan 0.000 0.506 101 L N 0.991 122.195 121.223 -0.031 0.000 2.331 101 L HA 0.657 5.001 4.340 0.006 0.000 0.275 101 L C -1.319 175.535 176.870 -0.026 0.000 1.022 101 L CA -2.654 52.168 54.840 -0.030 0.000 0.812 101 L CB 1.206 43.243 42.059 -0.037 0.000 1.257 101 L HN 0.089 nan 8.230 nan 0.000 0.435 102 P HA 0.272 nan 4.420 nan 0.000 0.276 102 P C -1.512 175.779 177.300 -0.015 0.000 1.230 102 P CA -0.348 62.744 63.100 -0.014 0.000 0.776 102 P CB 1.067 32.762 31.700 -0.008 0.000 0.888 103 Q N 2.152 121.951 119.800 -0.002 0.000 2.630 103 Q HA 0.623 4.966 4.340 0.006 0.000 0.295 103 Q C -3.150 172.873 176.000 0.039 0.000 0.944 103 Q CA -2.246 53.562 55.803 0.008 0.000 0.766 103 Q CB 0.390 29.128 28.738 0.000 0.000 1.471 103 Q HN 0.125 nan 8.270 nan 0.000 0.416 104 P HA 0.027 nan 4.420 nan 0.000 0.269 104 P C -1.134 176.212 177.300 0.076 0.000 1.209 104 P CA -0.284 62.876 63.100 0.099 0.000 0.776 104 P CB 0.490 32.294 31.700 0.173 0.000 0.876 105 K N 1.783 122.209 120.400 0.042 0.000 2.453 105 K HA 0.123 4.447 4.320 0.006 0.000 0.280 105 K C -0.662 176.033 176.600 0.159 0.000 1.045 105 K CA 0.595 56.891 56.287 0.016 0.000 1.059 105 K CB -0.277 32.121 32.500 -0.171 0.000 0.901 105 K HN 0.423 nan 8.250 nan 0.000 0.475 106 T N 2.230 116.887 114.554 0.172 0.000 2.893 106 T HA 0.734 5.088 4.350 0.006 0.000 0.291 106 T C -1.267 173.573 174.700 0.233 0.000 1.028 106 T CA -0.776 61.419 62.100 0.159 0.000 0.995 106 T CB 1.856 70.754 68.868 0.051 0.000 1.051 106 T HN 0.705 nan 8.240 nan 0.000 0.470 107 A N 1.733 124.597 122.820 0.073 0.000 2.594 107 A HA 0.909 5.233 4.320 0.006 0.000 0.291 107 A C -2.073 175.344 177.584 -0.277 0.000 1.105 107 A CA -0.700 51.356 52.037 0.032 0.000 0.694 107 A CB 1.606 20.617 19.000 0.018 0.000 1.291 107 A HN 0.735 nan 8.150 nan 0.000 0.410 108 L N 0.359 121.327 121.223 -0.426 0.000 2.431 108 L HA 0.860 5.204 4.340 0.006 0.000 0.266 108 L C -0.164 176.505 176.870 -0.335 0.000 0.978 108 L CA 0.042 54.511 54.840 -0.619 0.000 0.822 108 L CB 1.882 43.032 42.059 -1.516 0.000 1.310 108 L HN 1.310 nan 8.230 nan 0.000 0.409 109 A N 1.525 124.245 122.820 -0.167 0.000 2.356 109 A HA 0.669 4.992 4.320 0.006 0.000 0.323 109 A C 0.369 177.992 177.584 0.064 0.000 1.119 109 A CA 0.215 52.233 52.037 -0.031 0.000 0.790 109 A CB 1.386 20.388 19.000 0.003 0.000 1.273 109 A HN 0.840 nan 8.150 nan 0.000 0.452 110 T N -2.277 112.317 114.554 0.068 0.000 3.085 110 T HA 0.408 4.762 4.350 0.006 0.000 0.264 110 T C -0.281 174.517 174.700 0.164 0.000 1.019 110 T CA 0.527 62.677 62.100 0.084 0.000 0.910 110 T CB -0.665 68.224 68.868 0.035 0.000 1.059 110 T HN 0.845 nan 8.240 nan 0.000 0.542 111 D N -1.023 119.507 120.400 0.217 0.000 2.609 111 D HA 0.309 4.952 4.640 0.006 0.000 0.239 111 D C 0.733 177.068 176.300 0.058 0.000 1.229 111 D CA -1.078 53.042 54.000 0.199 0.000 0.808 111 D CB 1.272 42.123 40.800 0.086 0.000 1.448 111 D HN -0.141 nan 8.370 nan 0.000 0.433 112 R N 0.135 120.620 120.500 -0.025 0.000 2.091 112 R HA -0.163 4.181 4.340 0.006 0.000 0.238 112 R C 1.736 177.880 176.300 -0.260 0.000 1.136 112 R CA 2.082 57.993 56.100 -0.314 0.000 0.959 112 R CB -0.093 30.118 30.300 -0.149 0.000 0.856 112 R HN 0.694 nan 8.270 nan 0.000 0.437 113 E N 0.082 120.206 120.200 -0.126 0.000 2.077 113 E HA -0.251 4.103 4.350 0.006 0.000 0.193 113 E C 1.659 178.195 176.600 -0.107 0.000 0.989 113 E CA 1.390 57.731 56.400 -0.098 0.000 0.800 113 E CB -0.302 29.369 29.700 -0.049 0.000 0.746 113 E HN 0.317 nan 8.360 nan 0.000 0.452 114 E N 1.574 121.715 120.200 -0.099 0.000 2.150 114 E HA -0.041 4.313 4.350 0.006 0.000 0.193 114 E C 1.967 178.480 176.600 -0.144 0.000 0.985 114 E CA 1.419 57.766 56.400 -0.088 0.000 0.814 114 E CB -0.308 29.363 29.700 -0.049 0.000 0.752 114 E HN 0.340 nan 8.360 nan 0.000 0.466 115 A N 0.466 123.144 122.820 -0.237 0.000 1.902 115 A HA -0.145 4.179 4.320 0.006 0.000 0.217 115 A C 2.267 179.698 177.584 -0.256 0.000 1.181 115 A CA 1.427 53.272 52.037 -0.320 0.000 0.623 115 A CB -0.747 17.852 19.000 -0.668 0.000 0.818 115 A HN 0.347 nan 8.150 nan 0.000 0.443 116 L N -0.943 120.153 121.223 -0.212 0.000 2.046 116 L HA -0.208 4.135 4.340 0.006 0.000 0.208 116 L C 2.899 179.715 176.870 -0.091 0.000 1.077 116 L CA 1.501 56.265 54.840 -0.126 0.000 0.747 116 L CB -0.467 41.538 42.059 -0.089 0.000 0.896 116 L HN 0.372 nan 8.230 nan 0.000 0.432 117 R N -0.085 120.364 120.500 -0.084 0.000 2.091 117 R HA -0.174 4.170 4.340 0.006 0.000 0.238 117 R C 2.276 178.538 176.300 -0.062 0.000 1.136 117 R CA 1.299 57.369 56.100 -0.050 0.000 0.959 117 R CB -0.579 29.698 30.300 -0.038 0.000 0.856 117 R HN 0.337 nan 8.270 nan 0.000 0.437 118 L N 0.291 121.441 121.223 -0.121 0.000 2.017 118 L HA -0.168 4.175 4.340 0.006 0.000 0.208 118 L C 2.689 179.394 176.870 -0.274 0.000 1.073 118 L CA 1.346 56.078 54.840 -0.180 0.000 0.745 118 L CB -0.353 41.524 42.059 -0.304 0.000 0.894 118 L HN 0.225 nan 8.230 nan 0.000 0.432 119 M N -0.703 118.702 119.600 -0.324 0.000 2.108 119 M HA -0.251 4.233 4.480 0.006 0.000 0.261 119 M C 2.219 178.281 176.300 -0.397 0.000 1.066 119 M CA 1.673 56.736 55.300 -0.395 0.000 1.107 119 M CB -0.392 32.019 32.600 -0.317 0.000 1.356 119 M HN 0.157 nan 8.290 nan 0.000 0.406 120 E N 0.611 120.699 120.200 -0.186 0.000 2.072 120 E HA -0.104 4.249 4.350 0.006 0.000 0.191 120 E C 1.847 178.445 176.600 -0.003 0.000 0.985 120 E CA 1.755 58.127 56.400 -0.047 0.000 0.801 120 E CB -0.132 29.605 29.700 0.060 0.000 0.750 120 E HN 0.414 nan 8.360 nan 0.000 0.452 121 A N -0.612 122.231 122.820 0.039 0.000 2.015 121 A HA -0.075 4.249 4.320 0.006 0.000 0.219 121 A C 1.898 179.584 177.584 0.170 0.000 1.163 121 A CA 0.948 53.047 52.037 0.105 0.000 0.646 121 A CB -0.661 18.417 19.000 0.130 0.000 0.806 121 A HN 0.314 nan 8.150 nan 0.000 0.448 122 F N -0.244 119.634 119.950 -0.121 0.000 2.206 122 F HA 0.307 4.839 4.527 0.008 0.000 0.298 122 F C 1.614 177.345 175.800 -0.116 0.000 1.090 122 F CA 0.693 58.626 58.000 -0.113 0.000 1.323 122 F CB -0.625 38.292 39.000 -0.139 0.000 1.028 122 F HN 0.418 nan 8.300 nan 0.000 0.492 123 G N -0.780 108.018 108.800 -0.003 0.000 2.907 123 G HA2 -0.184 3.780 3.960 0.006 0.000 0.686 123 G HA3 -0.184 3.780 3.960 0.006 0.000 0.686 123 G C -1.110 173.738 174.900 -0.087 0.000 1.115 123 G CA -1.091 43.997 45.100 -0.021 0.000 0.760 123 G HN 0.066 nan 8.290 nan 0.000 0.620 124 Y N 2.133 122.467 120.300 0.057 0.000 2.307 124 Y HA 0.590 5.142 4.550 0.005 0.000 0.324 124 Y C -0.412 175.497 175.900 0.014 0.000 1.238 124 Y CA -1.046 57.074 58.100 0.033 0.000 1.280 124 Y CB 0.547 39.008 38.460 0.002 0.000 1.248 124 Y HN 0.612 nan 8.280 nan 0.000 0.508 125 P HA 0.404 nan 4.420 nan 0.000 0.276 125 P C -1.158 176.198 177.300 0.093 0.000 1.244 125 P CA -0.369 62.791 63.100 0.099 0.000 0.801 125 P CB 1.632 33.252 31.700 -0.133 0.000 1.006 126 V N -1.435 118.532 119.914 0.088 0.000 3.141 126 V HA 0.696 4.820 4.120 0.006 0.000 0.312 126 V C -0.511 175.665 176.094 0.137 0.000 1.157 126 V CA -0.951 61.410 62.300 0.101 0.000 1.041 126 V CB 1.760 33.551 31.823 -0.054 0.000 1.071 126 V HN 0.315 nan 8.190 nan 0.000 0.441 127 V N 2.052 122.063 119.914 0.161 0.000 2.628 127 V HA 0.689 4.813 4.120 0.006 0.000 0.306 127 V C -0.773 175.401 176.094 0.133 0.000 1.045 127 V CA -0.507 61.898 62.300 0.175 0.000 0.905 127 V CB 1.606 33.572 31.823 0.239 0.000 0.997 127 V HN 0.835 nan 8.190 nan 0.000 0.436 128 L N 4.746 126.056 121.223 0.145 0.000 2.409 128 L HA 0.668 5.012 4.340 0.006 0.000 0.272 128 L C -0.548 176.432 176.870 0.184 0.000 0.980 128 L CA -0.094 54.840 54.840 0.157 0.000 0.826 128 L CB 1.683 43.815 42.059 0.122 0.000 1.268 128 L HN 0.647 nan 8.230 nan 0.000 0.407 129 K N 4.622 125.167 120.400 0.242 0.000 2.395 129 K HA 0.688 5.011 4.320 0.006 0.000 0.247 129 K C -2.647 173.997 176.600 0.073 0.000 0.973 129 K CA -1.834 54.542 56.287 0.148 0.000 0.828 129 K CB 1.674 34.249 32.500 0.125 0.000 1.272 129 K HN 0.308 nan 8.250 nan 0.000 0.439 130 P HA 0.054 nan 4.420 nan 0.000 0.279 130 P C 0.648 177.887 177.300 -0.102 0.000 1.239 130 P CA -0.477 62.602 63.100 -0.036 0.000 0.789 130 P CB 0.854 32.535 31.700 -0.030 0.000 0.933 131 V N 2.692 122.553 119.914 -0.089 0.000 2.343 131 V HA -0.141 3.982 4.120 0.006 0.000 0.247 131 V C 1.338 177.384 176.094 -0.080 0.000 1.051 131 V CA 1.729 63.971 62.300 -0.098 0.000 1.036 131 V CB -0.558 31.251 31.823 -0.023 0.000 0.654 131 V HN 0.467 nan 8.190 nan 0.000 0.451 161 F N 1.148 121.115 119.950 0.029 0.000 2.811 161 F HA 0.361 4.892 4.527 0.008 0.000 0.301 161 F C 1.976 177.799 175.800 0.037 0.000 1.151 161 F CA 0.652 58.673 58.000 0.034 0.000 1.412 161 F CB 0.738 39.759 39.000 0.035 0.000 1.113 161 F HN 0.064 nan 8.300 nan 0.000 0.579 162 Q N -0.649 119.251 119.800 0.167 0.000 2.206 162 Q HA 0.070 4.413 4.340 0.006 0.000 0.265 162 Q C -0.145 175.870 176.000 0.026 0.000 0.866 162 Q CA -0.037 55.814 55.803 0.081 0.000 1.073 162 Q CB -0.449 28.318 28.738 0.048 0.000 1.165 162 Q HN 0.198 nan 8.270 nan 0.000 0.465 163 H N 1.488 120.534 119.070 -0.040 0.000 2.800 163 H HA 0.105 4.662 4.556 0.002 0.000 0.291 163 H C -0.324 174.937 175.328 -0.111 0.000 1.076 163 H CA 0.550 56.554 56.048 -0.072 0.000 1.452 163 H CB 0.365 30.096 29.762 -0.052 0.000 1.461 163 H HN 0.336 nan 8.280 nan 0.000 0.488 164 Q N 3.521 123.039 119.800 -0.470 0.000 2.460 164 Q HA -0.188 4.156 4.340 0.006 0.000 0.311 164 Q C -0.941 174.767 176.000 -0.486 0.000 1.396 164 Q CA 0.385 55.906 55.803 -0.469 0.000 0.838 164 Q CB -0.846 27.750 28.738 -0.237 0.000 1.140 164 Q HN 0.600 nan 8.270 nan 0.000 0.415 165 L N 0.305 121.179 121.223 -0.582 0.000 2.329 165 L HA 0.641 4.985 4.340 0.006 0.000 0.279 165 L C -0.214 176.241 176.870 -0.692 0.000 1.014 165 L CA -0.677 53.889 54.840 -0.457 0.000 0.814 165 L CB 0.997 42.917 42.059 -0.232 0.000 1.257 165 L HN 0.026 nan 8.230 nan 0.000 0.424 166 F N 1.715 121.607 119.950 -0.097 0.000 2.434 166 F HA 0.273 4.801 4.527 0.001 0.000 0.355 166 F C -0.344 175.416 175.800 -0.067 0.000 1.115 166 F CA -0.584 57.375 58.000 -0.068 0.000 1.010 166 F CB 0.993 39.938 39.000 -0.091 0.000 1.234 166 F HN 0.270 nan 8.300 nan 0.000 0.439 167 Y N 5.198 125.499 120.300 0.002 0.000 2.504 167 Y HA 0.552 5.105 4.550 0.005 0.000 0.351 167 Y C -0.418 175.491 175.900 0.015 0.000 0.988 167 Y CA -0.540 57.555 58.100 -0.009 0.000 1.239 167 Y CB 0.206 38.689 38.460 0.038 0.000 1.128 167 Y HN 0.425 nan 8.280 nan 0.000 0.525 168 I N 6.305 126.735 120.570 -0.233 0.000 2.377 168 I HA 0.354 4.528 4.170 0.006 0.000 0.293 168 I C -0.518 175.443 176.117 -0.260 0.000 0.987 168 I CA -0.599 60.548 61.300 -0.256 0.000 1.185 168 I CB 1.739 39.471 38.000 -0.446 0.000 1.341 168 I HN 0.532 nan 8.210 nan 0.000 0.455 169 Q N 5.147 124.922 119.800 -0.041 0.000 2.389 169 Q HA 0.306 4.649 4.340 0.006 0.000 0.277 169 Q C -0.946 175.226 176.000 0.285 0.000 1.082 169 Q CA -0.862 55.031 55.803 0.151 0.000 0.810 169 Q CB 2.639 31.477 28.738 0.167 0.000 1.374 169 Q HN 0.707 nan 8.270 nan 0.000 0.422 170 E N 1.536 121.953 120.200 0.362 0.000 2.404 170 E HA -0.019 4.334 4.350 0.006 0.000 0.261 170 E C -1.190 175.540 176.600 0.218 0.000 1.074 170 E CA -0.390 56.183 56.400 0.289 0.000 0.917 170 E CB 0.551 30.318 29.700 0.111 0.000 0.965 170 E HN 0.509 nan 8.360 nan 0.000 0.433 171 Y N 2.796 123.153 120.300 0.095 0.000 2.393 171 Y HA 0.260 4.813 4.550 0.006 0.000 0.338 171 Y C -0.855 175.058 175.900 0.022 0.000 1.029 171 Y CA -0.562 57.571 58.100 0.055 0.000 1.239 171 Y CB 0.745 39.232 38.460 0.045 0.000 1.170 171 Y HN 0.325 nan 8.280 nan 0.000 0.515 172 V N 6.384 125.986 119.914 -0.521 0.000 2.439 172 V HA 0.227 4.351 4.120 0.006 0.000 0.282 172 V C -0.163 175.640 176.094 -0.485 0.000 1.039 172 V CA -1.039 61.036 62.300 -0.376 0.000 0.913 172 V CB 1.254 32.914 31.823 -0.273 0.000 0.983 172 V HN 0.592 nan 8.190 nan 0.000 0.460 173 E N 3.944 124.013 120.200 -0.217 0.000 2.259 173 E HA 0.317 4.671 4.350 0.006 0.000 0.281 173 E C -0.525 175.987 176.600 -0.147 0.000 1.037 173 E CA -0.244 56.074 56.400 -0.137 0.000 0.854 173 E CB 1.201 30.885 29.700 -0.028 0.000 1.051 173 E HN 0.531 nan 8.360 nan 0.000 0.409 174 K N 4.226 124.532 120.400 -0.158 0.000 2.473 174 K HA 0.282 4.606 4.320 0.006 0.000 0.246 174 K C -1.920 174.641 176.600 -0.065 0.000 1.011 174 K CA -1.509 54.700 56.287 -0.130 0.000 0.984 174 K CB 1.512 33.882 32.500 -0.216 0.000 1.250 174 K HN 0.060 nan 8.250 nan 0.000 0.454 175 P HA -0.079 nan 4.420 nan 0.000 0.234 175 P C 0.052 177.343 177.300 -0.015 0.000 1.167 175 P CA 0.308 63.397 63.100 -0.019 0.000 0.763 175 P CB 0.472 32.167 31.700 -0.008 0.000 0.835 176 G N -1.255 107.541 108.800 -0.007 0.000 2.818 176 G HA2 0.526 4.490 3.960 0.006 0.000 0.286 176 G HA3 0.526 4.490 3.960 0.006 0.000 0.286 176 G C -1.035 173.878 174.900 0.021 0.000 1.364 176 G CA -0.801 44.304 45.100 0.009 0.000 0.938 176 G HN -0.153 nan 8.290 nan 0.000 0.490 177 R N 0.013 120.539 120.500 0.043 0.000 2.500 177 R HA 0.283 4.627 4.340 0.006 0.000 0.275 177 R C -0.840 175.588 176.300 0.214 0.000 1.051 177 R CA -0.703 55.453 56.100 0.094 0.000 1.088 177 R CB 0.755 31.078 30.300 0.038 0.000 1.063 177 R HN 0.414 nan 8.270 nan 0.000 0.511 178 D N 1.748 122.266 120.400 0.197 0.000 2.424 178 D HA 0.127 4.770 4.640 0.006 0.000 0.244 178 D C 0.096 176.512 176.300 0.193 0.000 1.134 178 D CA 0.520 54.660 54.000 0.233 0.000 0.881 178 D CB 0.696 41.640 40.800 0.239 0.000 1.191 178 D HN 0.252 nan 8.370 nan 0.000 0.445 179 I N 1.372 122.006 120.570 0.106 0.000 2.493 179 I HA 0.375 4.548 4.170 0.006 0.000 0.298 179 I C 0.352 176.419 176.117 -0.083 0.000 0.998 179 I CA -0.912 60.374 61.300 -0.023 0.000 1.137 179 I CB 2.000 39.954 38.000 -0.077 0.000 1.310 179 I HN 0.035 nan 8.210 nan 0.000 0.445 180 R N 5.202 125.618 120.500 -0.140 0.000 2.439 180 R HA 0.675 5.018 4.340 0.006 0.000 0.310 180 R C -1.969 174.125 176.300 -0.342 0.000 0.955 180 R CA -0.454 55.498 56.100 -0.247 0.000 0.853 180 R CB 1.688 31.831 30.300 -0.262 0.000 1.171 180 R HN 0.474 nan 8.270 nan 0.000 0.449 181 V N 5.568 125.264 119.914 -0.363 0.000 2.459 181 V HA 0.449 4.573 4.120 0.006 0.000 0.295 181 V C -0.653 175.196 176.094 -0.408 0.000 1.029 181 V CA -0.633 61.495 62.300 -0.287 0.000 0.874 181 V CB 1.415 33.147 31.823 -0.152 0.000 0.985 181 V HN 0.594 nan 8.190 nan 0.000 0.438 182 F N 3.660 123.582 119.950 -0.047 0.000 2.371 182 F HA 0.496 5.027 4.527 0.006 0.000 0.363 182 F C 0.230 175.990 175.800 -0.066 0.000 1.122 182 F CA -0.538 57.436 58.000 -0.043 0.000 1.129 182 F CB 1.264 40.241 39.000 -0.038 0.000 1.173 182 F HN 0.162 nan 8.300 nan 0.000 0.489 183 V N 4.760 124.695 119.914 0.035 0.000 2.394 183 V HA 0.456 4.579 4.120 0.006 0.000 0.282 183 V C -0.318 175.729 176.094 -0.079 0.000 1.031 183 V CA -0.778 61.504 62.300 -0.030 0.000 0.881 183 V CB 1.761 33.547 31.823 -0.061 0.000 0.982 183 V HN 0.433 nan 8.190 nan 0.000 0.451 184 V N 5.117 124.942 119.914 -0.148 0.000 2.357 184 V HA 0.752 4.876 4.120 0.006 0.000 0.281 184 V C 0.855 176.664 176.094 -0.475 0.000 1.015 184 V CA 0.628 62.732 62.300 -0.327 0.000 0.827 184 V CB 0.437 32.114 31.823 -0.244 0.000 1.018 184 V HN 1.256 nan 8.190 nan 0.000 0.432 185 G N 4.920 113.330 108.800 -0.651 0.000 2.565 185 G HA2 -0.232 3.732 3.960 0.006 0.000 0.295 185 G HA3 -0.232 3.732 3.960 0.006 0.000 0.295 185 G C 0.448 175.256 174.900 -0.154 0.000 1.165 185 G CA 0.437 45.279 45.100 -0.430 0.000 0.977 185 G HN 0.587 nan 8.290 nan 0.000 0.546 186 E N 2.024 122.180 120.200 -0.074 0.000 2.419 186 E HA 0.209 4.562 4.350 0.006 0.000 0.190 186 E C 1.014 177.589 176.600 -0.042 0.000 1.040 186 E CA 0.231 56.608 56.400 -0.037 0.000 0.900 186 E CB 0.412 30.110 29.700 -0.003 0.000 1.054 186 E HN 0.456 nan 8.360 nan 0.000 0.462 187 R N 0.126 120.586 120.500 -0.065 0.000 2.621 187 R HA 0.576 4.919 4.340 0.006 0.000 0.292 187 R C -0.765 175.505 176.300 -0.049 0.000 0.969 187 R CA -0.589 55.482 56.100 -0.048 0.000 0.887 187 R CB 2.094 32.370 30.300 -0.040 0.000 1.180 187 R HN -0.066 nan 8.270 nan 0.000 0.450 188 A N 3.502 126.302 122.820 -0.032 0.000 2.269 188 A HA 0.312 4.635 4.320 0.006 0.000 0.302 188 A C 0.909 178.490 177.584 -0.006 0.000 1.266 188 A CA -0.560 51.466 52.037 -0.019 0.000 0.894 188 A CB -0.263 18.724 19.000 -0.022 0.000 1.147 188 A HN 0.963 nan 8.150 nan 0.000 0.537 189 I N -0.480 120.098 120.570 0.013 0.000 3.968 189 I HA 0.646 4.819 4.170 0.006 0.000 0.328 189 I C 0.466 176.592 176.117 0.016 0.000 1.290 189 I CA 0.410 61.710 61.300 0.001 0.000 1.163 189 I CB 0.260 38.243 38.000 -0.030 0.000 1.024 189 I HN 0.594 nan 8.210 nan 0.000 0.413 190 A N 0.896 123.765 122.820 0.082 0.000 2.569 190 A HA 0.855 5.179 4.320 0.006 0.000 0.292 190 A C -1.509 176.201 177.584 0.210 0.000 1.032 190 A CA -0.072 52.031 52.037 0.109 0.000 0.669 190 A CB 0.602 19.632 19.000 0.050 0.000 1.290 190 A HN 0.608 nan 8.150 nan 0.000 0.422 191 A N 0.178 123.076 122.820 0.131 0.000 2.606 191 A HA 0.954 5.278 4.320 0.006 0.000 0.293 191 A C -0.754 176.838 177.584 0.014 0.000 1.082 191 A CA 0.091 52.160 52.037 0.053 0.000 0.685 191 A CB 0.935 19.891 19.000 -0.073 0.000 1.284 191 A HN 2.364 nan 8.150 nan 0.000 0.408 192 I N -2.948 117.593 120.570 -0.049 0.000 3.102 192 I HA 0.634 4.808 4.170 0.006 0.000 0.310 192 I C -1.772 174.254 176.117 -0.152 0.000 1.246 192 I CA -1.053 60.212 61.300 -0.057 0.000 0.979 192 I CB 1.994 40.063 38.000 0.116 0.000 1.267 192 I HN 0.618 nan 8.210 nan 0.000 0.451 193 Y N 2.336 122.672 120.300 0.061 0.000 2.341 193 Y HA 0.523 5.077 4.550 0.006 0.000 0.340 193 Y C 0.657 176.587 175.900 0.050 0.000 0.997 193 Y CA -0.532 57.597 58.100 0.047 0.000 1.149 193 Y CB 1.268 39.752 38.460 0.040 0.000 1.171 193 Y HN 0.377 nan 8.280 nan 0.000 0.494 210 E N 0.866 121.181 120.200 0.192 0.000 2.239 210 E HA 0.416 4.769 4.350 0.006 0.000 0.261 210 E C -0.019 176.713 176.600 0.219 0.000 1.016 210 E CA -0.696 55.829 56.400 0.209 0.000 0.882 210 E CB 0.943 30.789 29.700 0.243 0.000 1.190 210 E HN 0.593 nan 8.360 nan 0.000 0.415 211 N N 1.098 119.892 118.700 0.157 0.000 2.444 211 N HA 0.072 4.815 4.740 0.006 0.000 0.271 211 N C -1.243 174.295 175.510 0.047 0.000 1.069 211 N CA -0.236 52.863 53.050 0.081 0.000 0.965 211 N CB 0.749 39.275 38.487 0.064 0.000 1.092 211 N HN 0.383 nan 8.380 nan 0.000 0.476 212 C N 6.738 125.956 119.300 -0.138 0.000 2.168 212 C HA 0.421 4.885 4.460 0.006 0.000 0.333 212 C C -2.291 172.632 174.990 -0.112 0.000 1.106 212 C CA -1.840 57.007 59.018 -0.285 0.000 1.574 212 C CB -0.869 26.415 27.740 -0.761 0.000 2.055 212 C HN 0.578 nan 8.230 nan 0.000 0.473 213 P HA 0.040 nan 4.420 nan 0.000 0.257 213 P C -0.114 177.174 177.300 -0.020 0.000 1.189 213 P CA 0.617 63.714 63.100 -0.005 0.000 0.780 213 P CB 0.166 31.879 31.700 0.022 0.000 0.772 214 L N 3.178 124.386 121.223 -0.024 0.000 2.559 214 L HA 0.051 4.395 4.340 0.006 0.000 0.282 214 L C 1.237 178.099 176.870 -0.014 0.000 1.232 214 L CA 0.706 55.531 54.840 -0.026 0.000 0.885 214 L CB -0.097 41.950 42.059 -0.020 0.000 1.131 214 L HN 0.423 nan 8.230 nan 0.000 0.498 215 T N -1.658 112.888 114.554 -0.014 0.000 2.918 215 T HA 0.209 4.562 4.350 0.006 0.000 0.286 215 T C 0.707 175.402 174.700 -0.008 0.000 1.026 215 T CA -0.883 61.214 62.100 -0.005 0.000 1.031 215 T CB 1.865 70.734 68.868 0.003 0.000 1.046 215 T HN 0.679 nan 8.240 nan 0.000 0.479 216 E N 0.344 120.540 120.200 -0.005 0.000 2.171 216 E HA -0.225 4.129 4.350 0.006 0.000 0.197 216 E C 1.748 178.342 176.600 -0.009 0.000 0.997 216 E CA 1.420 57.816 56.400 -0.007 0.000 0.810 216 E CB 0.081 29.778 29.700 -0.004 0.000 0.738 216 E HN 0.683 nan 8.360 nan 0.000 0.467 217 E N -0.134 120.062 120.200 -0.007 0.000 2.028 217 E HA -0.146 4.207 4.350 0.006 0.000 0.191 217 E C 2.249 178.841 176.600 -0.014 0.000 0.988 217 E CA 1.071 57.467 56.400 -0.007 0.000 0.799 217 E CB -0.132 29.567 29.700 -0.001 0.000 0.755 217 E HN 0.199 nan 8.360 nan 0.000 0.447 218 V N 1.558 121.462 119.914 -0.016 0.000 2.295 218 V HA -0.249 3.874 4.120 0.006 0.000 0.246 218 V C 2.457 178.530 176.094 -0.034 0.000 1.049 218 V CA 1.790 64.074 62.300 -0.028 0.000 1.024 218 V CB -0.800 31.001 31.823 -0.036 0.000 0.648 218 V HN 0.255 nan 8.190 nan 0.000 0.447 219 A N -0.288 122.514 122.820 -0.029 0.000 1.908 219 A HA -0.274 4.050 4.320 0.006 0.000 0.218 219 A C 2.385 179.952 177.584 -0.029 0.000 1.181 219 A CA 2.168 54.188 52.037 -0.029 0.000 0.627 219 A CB -0.565 18.422 19.000 -0.022 0.000 0.818 219 A HN 0.473 nan 8.150 nan 0.000 0.445 220 R N -0.807 119.679 120.500 -0.024 0.000 2.081 220 R HA -0.017 4.327 4.340 0.006 0.000 0.235 220 R C 2.162 178.445 176.300 -0.027 0.000 1.131 220 R CA 1.385 57.472 56.100 -0.023 0.000 0.960 220 R CB -0.335 29.955 30.300 -0.017 0.000 0.856 220 R HN 0.568 nan 8.270 nan 0.000 0.436 221 L N 0.146 121.352 121.223 -0.029 0.000 2.056 221 L HA -0.149 4.195 4.340 0.006 0.000 0.207 221 L C 1.972 178.815 176.870 -0.045 0.000 1.078 221 L CA 1.476 56.295 54.840 -0.034 0.000 0.749 221 L CB -0.189 41.850 42.059 -0.034 0.000 0.901 221 L HN 0.273 nan 8.230 nan 0.000 0.433 222 S N -0.672 114.998 115.700 -0.050 0.000 2.368 222 S HA -0.168 4.306 4.470 0.006 0.000 0.225 222 S C 1.889 176.456 174.600 -0.055 0.000 1.030 222 S CA 1.339 59.502 58.200 -0.062 0.000 0.999 222 S CB -0.235 62.924 63.200 -0.069 0.000 0.844 222 S HN 0.285 nan 8.310 nan 0.000 0.459 223 V N 1.986 121.872 119.914 -0.046 0.000 2.358 223 V HA -0.164 3.960 4.120 0.006 0.000 0.246 223 V C 2.273 178.345 176.094 -0.037 0.000 1.047 223 V CA 1.549 63.823 62.300 -0.042 0.000 1.035 223 V CB -0.511 31.291 31.823 -0.035 0.000 0.658 223 V HN 0.424 nan 8.190 nan 0.000 0.452 224 K N 0.164 120.543 120.400 -0.034 0.000 2.097 224 K HA -0.117 4.207 4.320 0.006 0.000 0.206 224 K C 2.277 178.856 176.600 -0.036 0.000 1.049 224 K CA 1.425 57.693 56.287 -0.031 0.000 0.933 224 K CB -0.356 32.126 32.500 -0.029 0.000 0.717 224 K HN 0.483 nan 8.250 nan 0.000 0.442 225 A N 1.446 124.239 122.820 -0.044 0.000 1.930 225 A HA -0.069 4.255 4.320 0.006 0.000 0.217 225 A C 2.347 179.904 177.584 -0.044 0.000 1.175 225 A CA 1.664 53.672 52.037 -0.049 0.000 0.627 225 A CB -0.524 18.439 19.000 -0.062 0.000 0.815 225 A HN 0.319 nan 8.150 nan 0.000 0.443 226 A N -0.078 122.716 122.820 -0.044 0.000 1.902 226 A HA -0.165 4.158 4.320 0.006 0.000 0.217 226 A C 1.911 179.480 177.584 -0.024 0.000 1.181 226 A CA 1.665 53.680 52.037 -0.036 0.000 0.623 226 A CB -0.492 18.481 19.000 -0.045 0.000 0.818 226 A HN 0.622 nan 8.150 nan 0.000 0.443 227 E N -0.293 119.892 120.200 -0.025 0.000 2.106 227 E HA -0.045 4.308 4.350 0.006 0.000 0.192 227 E C 2.248 178.836 176.600 -0.019 0.000 0.984 227 E CA 0.777 57.167 56.400 -0.016 0.000 0.806 227 E CB -0.274 29.417 29.700 -0.016 0.000 0.750 227 E HN 0.613 nan 8.360 nan 0.000 0.458 228 A N 1.109 123.913 122.820 -0.027 0.000 1.978 228 A HA -0.155 4.169 4.320 0.006 0.000 0.220 228 A C 2.359 179.924 177.584 -0.032 0.000 1.170 228 A CA 1.636 53.654 52.037 -0.032 0.000 0.636 228 A CB -0.547 18.429 19.000 -0.039 0.000 0.810 228 A HN 0.248 nan 8.150 nan 0.000 0.448 229 V N -4.684 115.215 119.914 -0.025 0.000 3.647 229 V HA 0.585 4.709 4.120 0.006 0.000 0.279 229 V C 1.236 177.324 176.094 -0.009 0.000 1.314 229 V CA 0.853 63.141 62.300 -0.020 0.000 1.125 229 V CB -0.471 31.345 31.823 -0.013 0.000 0.907 229 V HN 1.300 nan 8.190 nan 0.000 0.434 230 G N -1.506 107.291 108.800 -0.006 0.000 2.260 230 G HA2 0.325 4.288 3.960 0.006 0.000 0.179 230 G HA3 0.325 4.288 3.960 0.006 0.000 0.179 230 G C 0.986 175.897 174.900 0.019 0.000 1.002 230 G CA 0.029 45.132 45.100 0.004 0.000 0.677 230 G HN 2.148 nan 8.290 nan 0.000 0.486 231 G N -1.113 107.697 108.800 0.018 0.000 2.756 231 G HA2 0.502 4.465 3.960 0.006 0.000 0.678 231 G HA3 0.502 4.465 3.960 0.006 0.000 0.678 231 G C 1.036 175.969 174.900 0.055 0.000 1.349 231 G CA 0.869 45.987 45.100 0.030 0.000 0.847 231 G HN 2.662 nan 8.290 nan 0.000 0.548 232 G N -2.494 106.343 108.800 0.062 0.000 2.395 232 G HA2 0.359 4.322 3.960 0.006 0.000 0.201 232 G HA3 0.359 4.322 3.960 0.006 0.000 0.201 232 G C -0.505 174.366 174.900 -0.049 0.000 1.206 232 G CA 0.441 45.605 45.100 0.107 0.000 1.210 232 G HN 2.103 nan 8.290 nan 0.000 0.557 233 V N 1.682 121.615 119.914 0.031 0.000 2.326 233 V HA 0.658 4.782 4.120 0.006 0.000 0.281 233 V C 0.534 176.660 176.094 0.054 0.000 1.015 233 V CA 0.184 62.487 62.300 0.005 0.000 0.823 233 V CB 0.457 32.326 31.823 0.077 0.000 1.009 233 V HN 1.764 nan 8.190 nan 0.000 0.436 234 V N 1.972 121.899 119.914 0.022 0.000 3.159 234 V HA 1.046 5.170 4.120 0.006 0.000 0.308 234 V C -0.293 175.786 176.094 -0.024 0.000 1.190 234 V CA -1.018 61.292 62.300 0.017 0.000 1.037 234 V CB 2.196 34.017 31.823 -0.003 0.000 1.060 234 V HN 0.925 nan 8.190 nan 0.000 0.437 235 A N 1.692 124.464 122.820 -0.079 0.000 2.287 235 A HA 0.829 5.153 4.320 0.006 0.000 0.317 235 A C -0.609 176.849 177.584 -0.209 0.000 1.220 235 A CA -0.637 51.262 52.037 -0.230 0.000 0.835 235 A CB 1.210 20.031 19.000 -0.300 0.000 1.180 235 A HN 1.410 nan 8.150 nan 0.000 0.500 236 V N 3.382 123.161 119.914 -0.225 0.000 2.370 236 V HA 0.279 4.403 4.120 0.006 0.000 0.279 236 V C -0.726 175.247 176.094 -0.201 0.000 1.029 236 V CA -0.722 61.470 62.300 -0.179 0.000 0.870 236 V CB 1.264 33.003 31.823 -0.141 0.000 0.984 236 V HN 0.812 nan 8.190 nan 0.000 0.451 237 D N 5.497 125.783 120.400 -0.190 0.000 2.232 237 D HA 0.606 5.250 4.640 0.006 0.000 0.242 237 D C -0.298 175.864 176.300 -0.230 0.000 1.093 237 D CA -0.007 53.881 54.000 -0.186 0.000 0.845 237 D CB 1.995 42.696 40.800 -0.165 0.000 1.124 237 D HN 0.328 nan 8.370 nan 0.000 0.467 238 L N 1.369 122.493 121.223 -0.165 0.000 2.319 238 L HA 0.556 4.899 4.340 0.006 0.000 0.267 238 L C -0.215 176.665 176.870 0.016 0.000 1.011 238 L CA -1.033 53.715 54.840 -0.154 0.000 0.818 238 L CB 1.645 43.662 42.059 -0.070 0.000 1.316 238 L HN 0.192 nan 8.230 nan 0.000 0.432 239 F N 0.051 119.995 119.950 -0.010 0.000 2.469 239 F HA 0.337 4.867 4.527 0.005 0.000 0.332 239 F C 0.275 176.074 175.800 -0.001 0.000 1.103 239 F CA -0.824 57.171 58.000 -0.007 0.000 0.979 239 F CB 1.971 40.958 39.000 -0.021 0.000 1.137 239 F HN 0.457 nan 8.300 nan 0.000 0.463 240 E N 2.462 122.785 120.200 0.205 0.000 2.136 240 E HA 0.145 4.499 4.350 0.006 0.000 0.246 240 E C -0.418 176.222 176.600 0.066 0.000 1.017 240 E CA -0.484 55.984 56.400 0.114 0.000 0.883 240 E CB 0.969 30.732 29.700 0.104 0.000 1.199 240 E HN 0.580 nan 8.360 nan 0.000 0.447 241 S N 1.371 117.113 115.700 0.069 0.000 2.671 241 S HA 0.188 4.662 4.470 0.006 0.000 0.272 241 S C 0.985 175.593 174.600 0.014 0.000 1.174 241 S CA -0.670 57.544 58.200 0.023 0.000 1.004 241 S CB 1.094 64.318 63.200 0.039 0.000 1.077 241 S HN 0.407 nan 8.310 nan 0.000 0.553 242 E N -0.080 120.120 120.200 -0.000 0.000 2.427 242 E HA 0.025 4.379 4.350 0.006 0.000 0.196 242 E C 1.511 178.115 176.600 0.006 0.000 1.028 242 E CA 0.308 56.709 56.400 0.002 0.000 0.864 242 E CB -0.020 29.678 29.700 -0.003 0.000 0.813 242 E HN 0.483 nan 8.360 nan 0.000 0.514 243 R N 0.124 120.630 120.500 0.011 0.000 2.362 243 R HA 0.174 4.518 4.340 0.006 0.000 0.227 243 R C 0.754 177.063 176.300 0.016 0.000 0.905 243 R CA 0.454 56.561 56.100 0.010 0.000 1.067 243 R CB 1.153 31.459 30.300 0.010 0.000 1.078 243 R HN 0.112 nan 8.270 nan 0.000 0.516 244 G N 1.028 109.842 108.800 0.023 0.000 2.384 244 G HA2 -0.178 3.785 3.960 0.006 0.000 0.204 244 G HA3 -0.178 3.785 3.960 0.006 0.000 0.204 244 G C -0.897 174.027 174.900 0.040 0.000 1.237 244 G CA -1.028 44.088 45.100 0.026 0.000 1.060 244 G HN 0.033 nan 8.290 nan 0.000 0.514 245 L N 0.587 121.830 121.223 0.033 0.000 2.380 245 L HA 0.613 4.957 4.340 0.006 0.000 0.273 245 L C 0.313 177.201 176.870 0.030 0.000 1.138 245 L CA -0.183 54.679 54.840 0.037 0.000 0.832 245 L CB 0.561 42.630 42.059 0.017 0.000 1.124 245 L HN 0.439 nan 8.230 nan 0.000 0.454 246 L N 3.546 124.793 121.223 0.040 0.000 2.408 246 L HA 0.495 4.839 4.340 0.006 0.000 0.268 246 L C -0.560 176.261 176.870 -0.083 0.000 0.986 246 L CA -0.930 53.917 54.840 0.011 0.000 0.820 246 L CB 2.424 44.531 42.059 0.080 0.000 1.303 246 L HN 0.207 nan 8.230 nan 0.000 0.411 247 V N 1.918 121.769 119.914 -0.104 0.000 2.530 247 V HA 0.101 4.224 4.120 0.006 0.000 0.282 247 V C 0.527 176.470 176.094 -0.252 0.000 1.048 247 V CA -0.006 62.194 62.300 -0.166 0.000 0.997 247 V CB 1.273 33.031 31.823 -0.108 0.000 0.987 247 V HN 0.863 nan 8.190 nan 0.000 0.477 248 N N 3.257 121.715 118.700 -0.403 0.000 2.508 248 N HA 0.075 4.819 4.740 0.006 0.000 0.186 248 N C 0.245 175.618 175.510 -0.229 0.000 1.034 248 N CA 0.676 53.439 53.050 -0.478 0.000 0.885 248 N CB 0.707 38.571 38.487 -1.038 0.000 1.135 248 N HN 0.735 nan 8.380 nan 0.000 0.435 249 E N -0.600 119.478 120.200 -0.203 0.000 2.412 249 E HA 0.368 4.722 4.350 0.006 0.000 0.279 249 E C -1.466 175.063 176.600 -0.118 0.000 0.984 249 E CA -0.737 55.586 56.400 -0.127 0.000 0.788 249 E CB 2.574 32.206 29.700 -0.114 0.000 1.277 249 E HN -0.145 nan 8.360 nan 0.000 0.455 250 V N 2.291 122.153 119.914 -0.086 0.000 2.488 250 V HA 0.301 4.424 4.120 0.006 0.000 0.293 250 V C -0.649 175.409 176.094 -0.060 0.000 1.027 250 V CA -1.018 61.237 62.300 -0.075 0.000 0.862 250 V CB 1.559 33.351 31.823 -0.052 0.000 1.008 250 V HN 0.462 nan 8.190 nan 0.000 0.428 251 N N 3.661 122.311 118.700 -0.084 0.000 2.438 251 N HA 0.259 5.003 4.740 0.006 0.000 0.282 251 N C 0.983 176.454 175.510 -0.065 0.000 1.037 251 N CA -0.457 52.525 53.050 -0.115 0.000 0.942 251 N CB 1.314 39.716 38.487 -0.142 0.000 1.136 251 N HN 0.912 nan 8.380 nan 0.000 0.481 252 H N -0.360 118.714 119.070 0.006 0.000 2.535 252 H HA 0.088 4.648 4.556 0.006 0.000 0.273 252 H C -0.523 174.833 175.328 0.048 0.000 0.983 252 H CA 0.369 56.432 56.048 0.025 0.000 1.238 252 H CB 0.395 30.171 29.762 0.023 0.000 1.412 252 H HN 0.217 nan 8.280 nan 0.000 0.562 253 T N 4.006 118.498 114.554 -0.103 0.000 3.542 253 T HA 0.196 4.550 4.350 0.006 0.000 0.276 253 T C 0.340 175.040 174.700 -0.000 0.000 1.412 253 T CA -0.691 61.436 62.100 0.044 0.000 1.664 253 T CB 0.249 69.175 68.868 0.097 0.000 0.863 253 T HN 0.358 nan 8.240 nan 0.000 0.661 254 M N 0.517 120.161 119.600 0.073 0.000 2.240 254 M HA 0.271 4.755 4.480 0.006 0.000 0.346 254 M C -0.279 176.088 176.300 0.113 0.000 1.236 254 M CA 0.576 55.959 55.300 0.138 0.000 0.986 254 M CB 0.343 33.123 32.600 0.300 0.000 1.786 254 M HN 0.207 nan 8.290 nan 0.000 0.457 255 E N 3.393 123.621 120.200 0.046 0.000 2.242 255 E HA 0.478 4.831 4.350 0.006 0.000 0.275 255 E C -0.722 175.873 176.600 -0.008 0.000 1.002 255 E CA -0.529 55.765 56.400 -0.178 0.000 0.841 255 E CB 0.987 30.615 29.700 -0.120 0.000 1.109 255 E HN 0.833 nan 8.360 nan 0.000 0.394 256 F N -0.307 119.660 119.950 0.028 0.000 3.051 256 F HA 0.213 4.744 4.527 0.007 0.000 0.341 256 F C 1.162 176.909 175.800 -0.089 0.000 1.227 256 F CA -0.776 57.184 58.000 -0.067 0.000 1.030 256 F CB -0.459 38.387 39.000 -0.258 0.000 1.381 256 F HN 0.290 nan 8.300 nan 0.000 0.507 257 K N 0.864 121.256 120.400 -0.012 0.000 2.089 257 K HA -0.206 4.118 4.320 0.006 0.000 0.210 257 K C 0.895 177.545 176.600 0.083 0.000 1.048 257 K CA 2.279 58.599 56.287 0.054 0.000 0.926 257 K CB -0.517 31.959 32.500 -0.040 0.000 0.714 257 K HN 0.273 nan 8.250 nan 0.000 0.448 258 N N 0.778 119.520 118.700 0.071 0.000 2.250 258 N HA -0.026 4.718 4.740 0.006 0.000 0.181 258 N C 1.793 177.359 175.510 0.092 0.000 1.017 258 N CA 1.215 54.314 53.050 0.083 0.000 0.866 258 N CB -0.113 38.416 38.487 0.071 0.000 0.985 258 N HN 0.237 nan 8.380 nan 0.000 0.429 259 S N 0.898 116.647 115.700 0.080 0.000 2.419 259 S HA -0.059 4.414 4.470 0.006 0.000 0.235 259 S C 2.284 176.853 174.600 -0.051 0.000 1.019 259 S CA 0.598 58.812 58.200 0.024 0.000 0.982 259 S CB -0.267 62.889 63.200 -0.072 0.000 0.789 259 S HN 0.089 nan 8.310 nan 0.000 0.490 260 V N 1.439 121.323 119.914 -0.050 0.000 2.287 260 V HA -0.214 3.909 4.120 0.006 0.000 0.248 260 V C 2.378 178.421 176.094 -0.085 0.000 1.053 260 V CA 1.804 64.038 62.300 -0.110 0.000 1.027 260 V CB -0.703 31.058 31.823 -0.103 0.000 0.646 260 V HN 0.540 nan 8.190 nan 0.000 0.447 261 H N 0.300 119.355 119.070 -0.025 0.000 2.333 261 H HA -0.085 4.475 4.556 0.006 0.000 0.302 261 H C 2.537 177.862 175.328 -0.005 0.000 1.075 261 H CA 2.027 58.067 56.048 -0.013 0.000 1.348 261 H CB -0.323 29.438 29.762 -0.002 0.000 1.393 261 H HN 0.402 nan 8.280 nan 0.000 0.509 262 T N -0.289 114.353 114.554 0.148 0.000 2.665 262 T HA -0.175 4.179 4.350 0.006 0.000 0.268 262 T C 2.032 176.774 174.700 0.069 0.000 1.035 262 T CA 2.473 64.634 62.100 0.101 0.000 1.151 262 T CB -0.410 68.515 68.868 0.095 0.000 0.862 262 T HN 0.609 nan 8.240 nan 0.000 0.438 263 T N -1.778 112.794 114.554 0.031 0.000 3.037 263 T HA 0.396 4.749 4.350 0.006 0.000 0.252 263 T C 1.786 176.473 174.700 -0.021 0.000 1.073 263 T CA 0.860 62.962 62.100 0.004 0.000 1.091 263 T CB -0.058 68.798 68.868 -0.020 0.000 0.935 263 T HN 0.567 nan 8.240 nan 0.000 0.488 264 G N 0.886 109.659 108.800 -0.044 0.000 2.160 264 G HA2 -0.193 3.771 3.960 0.006 0.000 0.251 264 G HA3 -0.193 3.771 3.960 0.006 0.000 0.251 264 G C -0.011 174.831 174.900 -0.097 0.000 1.008 264 G CA 0.175 45.230 45.100 -0.074 0.000 0.724 264 G HN 0.752 nan 8.290 nan 0.000 0.514 265 V N 0.060 119.902 119.914 -0.119 0.000 2.630 265 V HA 0.503 4.627 4.120 0.006 0.000 0.305 265 V C 0.319 176.301 176.094 -0.185 0.000 1.046 265 V CA -0.291 61.928 62.300 -0.134 0.000 0.934 265 V CB 1.942 33.689 31.823 -0.127 0.000 1.003 265 V HN 0.287 nan 8.190 nan 0.000 0.451 266 D N 3.028 123.325 120.400 -0.172 0.000 2.608 266 D HA 0.219 4.862 4.640 0.006 0.000 0.224 266 D C 1.128 177.270 176.300 -0.263 0.000 1.123 266 D CA 0.147 54.028 54.000 -0.200 0.000 1.030 266 D CB -0.077 40.635 40.800 -0.146 0.000 1.093 266 D HN 0.471 nan 8.370 nan 0.000 0.497 267 I N 2.331 122.670 120.570 -0.384 0.000 2.151 267 I HA -0.203 3.970 4.170 0.006 0.000 0.243 267 I C -0.597 175.170 176.117 -0.584 0.000 1.080 267 I CA 0.925 61.905 61.300 -0.533 0.000 1.339 267 I CB -1.063 36.452 38.000 -0.808 0.000 1.039 267 I HN 0.322 nan 8.210 nan 0.000 0.409 268 P HA -0.138 nan 4.420 nan 0.000 0.215 268 P C 1.613 178.773 177.300 -0.233 0.000 1.153 268 P CA 1.803 64.615 63.100 -0.479 0.000 0.853 268 P CB -0.231 31.270 31.700 -0.331 0.000 0.788 269 G N -0.108 108.576 108.800 -0.193 0.000 2.408 269 G HA2 -0.217 3.747 3.960 0.006 0.000 0.217 269 G HA3 -0.217 3.747 3.960 0.006 0.000 0.217 269 G C 1.495 176.348 174.900 -0.077 0.000 1.150 269 G CA 0.538 45.569 45.100 -0.116 0.000 0.776 269 G HN 0.200 nan 8.290 nan 0.000 0.542 270 E N 0.475 120.614 120.200 -0.102 0.000 2.106 270 E HA -0.036 4.318 4.350 0.006 0.000 0.192 270 E C 2.597 179.201 176.600 0.008 0.000 0.984 270 E CA 0.416 56.787 56.400 -0.049 0.000 0.806 270 E CB -0.156 29.491 29.700 -0.087 0.000 0.750 270 E HN 0.513 nan 8.360 nan 0.000 0.458 271 I N 0.867 121.416 120.570 -0.036 0.000 2.252 271 I HA -0.259 3.915 4.170 0.006 0.000 0.245 271 I C 2.437 178.625 176.117 0.118 0.000 1.102 271 I CA 0.858 62.186 61.300 0.048 0.000 1.385 271 I CB -0.263 37.737 38.000 0.001 0.000 1.064 271 I HN 0.043 nan 8.210 nan 0.000 0.414 272 L N 0.430 121.684 121.223 0.052 0.000 2.093 272 L HA -0.196 4.148 4.340 0.006 0.000 0.208 272 L C 2.543 179.489 176.870 0.126 0.000 1.085 272 L CA 1.446 56.324 54.840 0.063 0.000 0.755 272 L CB -0.558 41.485 42.059 -0.027 0.000 0.904 272 L HN 0.170 nan 8.230 nan 0.000 0.435 273 K N -0.809 119.662 120.400 0.119 0.000 2.025 273 K HA -0.222 4.102 4.320 0.006 0.000 0.207 273 K C 2.165 178.896 176.600 0.219 0.000 1.049 273 K CA 1.578 57.970 56.287 0.175 0.000 0.933 273 K CB -0.439 32.134 32.500 0.122 0.000 0.714 273 K HN 0.105 nan 8.250 nan 0.000 0.438 274 Y N 1.861 122.210 120.300 0.082 0.000 2.081 274 Y HA -0.323 4.230 4.550 0.006 0.000 0.280 274 Y C 2.263 178.217 175.900 0.090 0.000 1.163 274 Y CA 1.557 59.698 58.100 0.069 0.000 1.135 274 Y CB -0.638 37.849 38.460 0.045 0.000 0.970 274 Y HN 0.071 nan 8.280 nan 0.000 0.498 275 A N 0.728 123.587 122.820 0.065 0.000 1.865 275 A HA -0.271 4.052 4.320 0.006 0.000 0.217 275 A C 2.361 179.974 177.584 0.049 0.000 1.191 275 A CA 1.604 53.642 52.037 0.001 0.000 0.623 275 A CB -1.907 17.178 19.000 0.141 0.000 0.826 275 A HN 0.871 nan 8.150 nan 0.000 0.444 276 W N 1.731 123.001 121.300 -0.051 0.000 2.364 276 W HA -0.222 4.441 4.660 0.006 0.000 0.281 276 W C 2.183 178.664 176.519 -0.063 0.000 1.219 276 W CA 1.904 59.228 57.345 -0.035 0.000 1.220 276 W CB -0.044 29.413 29.460 -0.005 0.000 1.127 276 W HN 0.541 nan 8.180 nan 0.000 0.556 277 S N 0.176 115.821 115.700 -0.092 0.000 2.515 277 S HA -0.104 4.370 4.470 0.006 0.000 0.231 277 S C 1.562 176.001 174.600 -0.268 0.000 0.987 277 S CA 0.727 58.804 58.200 -0.206 0.000 0.936 277 S CB -0.683 62.453 63.200 -0.106 0.000 0.766 277 S HN 0.346 nan 8.310 nan 0.000 0.528 278 L N 1.287 122.341 121.223 -0.281 0.000 2.607 278 L HA 0.406 4.750 4.340 0.006 0.000 0.228 278 L C 1.302 178.038 176.870 -0.224 0.000 1.123 278 L CA -0.160 54.532 54.840 -0.248 0.000 0.890 278 L CB -0.553 41.350 42.059 -0.259 0.000 1.103 278 L HN 0.331 nan 8.230 nan 0.000 0.468 279 A N 0.293 122.928 122.820 -0.309 0.000 2.603 279 A HA 0.199 4.522 4.320 0.006 0.000 0.235 279 A C 0.482 177.925 177.584 -0.235 0.000 1.035 279 A CA 1.033 52.874 52.037 -0.327 0.000 0.755 279 A CB 0.173 18.777 19.000 -0.659 0.000 0.954 279 A HN 0.283 nan 8.150 nan 0.000 0.511 280 S N 0.000 115.604 115.700 -0.160 0.000 2.498 280 S HA 0.000 4.474 4.470 0.006 0.000 0.327 280 S CA 0.000 58.130 58.200 -0.116 0.000 1.107 280 S CB 0.000 63.144 63.200 -0.093 0.000 0.593 280 S HN 0.000 nan 8.310 nan 0.000 0.517