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 3hsl_1_X DATA FIRST_RESID 4 DATA SEQUENCE DFHYGVRVDV TLLSKIRRVN EHIKSATKTG VVQVHGSACT PTLSVLSSVG DATA SEQUENCE TAGVLGLRIK NALTPLVGHT EGSGDVSFSF RNTSVGSGFT HTRELFGANV DATA SEQUENCE LDAGIAFYRX XXXXXXXXXP QFVRTTISYG DNLTSTVHKS VVDQKGILPF DATA SEQUENCE HDRMEAGGRT TRLLLCGKTG AFLLKWLRQQ KTKEDQTVTV SVSETLSIVT DATA SEQUENCE FSLGGVSKII DFKPETKPVS GWDGLKGKKS VDVGVVHTDA LSRVSLESLI DATA SEQUENCE AALRLCKVPG WFTPGLIWHS NEILEVEGVP TGCQSGDVKL SVLLLEV 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.445 176.300 0.241 0.000 2.045 4 D CA 0.000 54.111 54.000 0.186 0.000 0.868 4 D CB 0.000 40.928 40.800 0.214 0.000 0.688 5 F N 2.639 122.602 119.950 0.023 0.000 2.678 5 F HA 0.294 4.821 4.527 -0.000 0.000 0.358 5 F C 1.913 177.767 175.800 0.091 0.000 1.256 5 F CA 0.178 58.171 58.000 -0.012 0.000 1.278 5 F CB -0.132 38.811 39.000 -0.095 0.000 1.681 5 F HN 0.703 nan 8.300 nan 0.000 0.661 6 H N 1.785 121.030 119.070 0.293 0.000 2.421 6 H HA -0.091 4.465 4.556 -0.000 0.000 0.298 6 H C -0.605 175.001 175.328 0.463 0.000 1.087 6 H CA 1.608 57.860 56.048 0.341 0.000 1.330 6 H CB -0.340 29.595 29.762 0.287 0.000 1.388 6 H HN 0.457 nan 8.280 nan 0.000 0.526 7 Y N 0.005 120.381 120.300 0.126 0.000 2.390 7 Y HA 0.509 5.059 4.550 -0.000 0.000 0.324 7 Y C -0.658 175.317 175.900 0.125 0.000 1.151 7 Y CA -0.673 57.575 58.100 0.247 0.000 1.053 7 Y CB 1.532 40.191 38.460 0.331 0.000 1.277 7 Y HN 0.454 nan 8.280 nan 0.000 0.432 8 G N 2.853 111.524 108.800 -0.215 0.000 2.574 8 G HA2 0.661 4.621 3.960 -0.000 0.000 0.299 8 G HA3 0.661 4.621 3.960 -0.000 0.000 0.299 8 G C -2.236 172.460 174.900 -0.341 0.000 1.298 8 G CA -0.931 44.083 45.100 -0.143 0.000 0.952 8 G HN 0.866 nan 8.290 nan 0.000 0.477 9 V N 0.358 120.177 119.914 -0.157 0.000 2.932 9 V HA 0.743 4.863 4.120 -0.000 0.000 0.307 9 V C -0.657 175.417 176.094 -0.034 0.000 1.147 9 V CA -1.120 61.123 62.300 -0.095 0.000 0.951 9 V CB 2.054 33.887 31.823 0.018 0.000 1.031 9 V HN 0.911 nan 8.190 nan 0.000 0.426 10 R N 4.487 124.974 120.500 -0.022 0.000 2.312 10 R HA 0.690 5.030 4.340 -0.000 0.000 0.311 10 R C -1.447 174.848 176.300 -0.008 0.000 1.004 10 R CA -0.397 55.693 56.100 -0.017 0.000 0.902 10 R CB 1.656 31.945 30.300 -0.019 0.000 1.073 10 R HN 0.597 nan 8.270 nan 0.000 0.457 11 V N 4.310 124.214 119.914 -0.017 0.000 2.432 11 V HA 0.024 4.144 4.120 -0.000 0.000 0.275 11 V C 0.244 176.311 176.094 -0.044 0.000 1.043 11 V CA -0.421 61.864 62.300 -0.025 0.000 0.925 11 V CB 1.238 33.040 31.823 -0.036 0.000 0.985 11 V HN 0.747 nan 8.190 nan 0.000 0.466 12 D N 4.418 124.794 120.400 -0.040 0.000 2.498 12 D HA 0.035 4.675 4.640 -0.000 0.000 0.229 12 D C 1.240 177.496 176.300 -0.074 0.000 1.188 12 D CA -0.051 53.925 54.000 -0.040 0.000 1.028 12 D CB 1.021 41.811 40.800 -0.017 0.000 1.087 12 D HN 0.453 nan 8.370 nan 0.000 0.510 13 V N 1.686 121.549 119.914 -0.086 0.000 2.594 13 V HA -0.186 3.934 4.120 -0.000 0.000 0.253 13 V C 1.935 177.979 176.094 -0.083 0.000 1.069 13 V CA 1.653 63.883 62.300 -0.118 0.000 1.082 13 V CB -1.124 30.634 31.823 -0.107 0.000 0.680 13 V HN 0.335 nan 8.190 nan 0.000 0.469 14 T N 1.350 115.878 114.554 -0.043 0.000 2.788 14 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 14 T C 1.792 176.494 174.700 0.003 0.000 1.044 14 T CA 2.021 64.113 62.100 -0.012 0.000 1.139 14 T CB -0.330 68.537 68.868 -0.002 0.000 0.867 14 T HN 0.484 nan 8.240 nan 0.000 0.454 15 L N 0.915 122.135 121.223 -0.006 0.000 2.109 15 L HA 0.199 4.539 4.340 -0.000 0.000 0.207 15 L C 2.021 178.902 176.870 0.018 0.000 1.086 15 L CA 1.453 56.306 54.840 0.022 0.000 0.760 15 L CB -0.712 41.359 42.059 0.020 0.000 0.910 15 L HN 0.219 nan 8.230 nan 0.000 0.437 16 L N -1.021 120.151 121.223 -0.085 0.000 2.201 16 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 16 L C 2.416 179.287 176.870 0.002 0.000 1.105 16 L CA 1.051 55.772 54.840 -0.199 0.000 0.775 16 L CB -0.753 40.882 42.059 -0.705 0.000 0.913 16 L HN 0.250 nan 8.230 nan 0.000 0.440 17 S N 0.234 115.941 115.700 0.013 0.000 2.356 17 S HA -0.207 4.263 4.470 -0.000 0.000 0.223 17 S C 2.478 177.156 174.600 0.130 0.000 1.032 17 S CA 1.797 60.047 58.200 0.083 0.000 1.005 17 S CB -0.366 62.865 63.200 0.051 0.000 0.867 17 S HN 0.535 nan 8.310 nan 0.000 0.449 18 K N 0.960 121.440 120.400 0.133 0.000 2.280 18 K HA 0.132 4.452 4.320 -0.000 0.000 0.202 18 K C 1.576 178.340 176.600 0.274 0.000 1.047 18 K CA 1.319 57.724 56.287 0.198 0.000 0.942 18 K CB -0.897 31.712 32.500 0.182 0.000 0.739 18 K HN 0.575 nan 8.250 nan 0.000 0.457 19 I N -0.959 119.726 120.570 0.192 0.000 3.968 19 I HA 0.095 4.265 4.170 -0.000 0.000 0.328 19 I C 2.408 178.494 176.117 -0.051 0.000 1.290 19 I CA -0.128 61.190 61.300 0.031 0.000 1.163 19 I CB 0.291 38.396 38.000 0.175 0.000 1.024 19 I HN 0.267 nan 8.210 nan 0.000 0.413 20 R N 1.735 122.328 120.500 0.156 0.000 2.165 20 R HA -0.287 4.053 4.340 -0.000 0.000 0.254 20 R C 2.314 178.509 176.300 -0.175 0.000 1.153 20 R CA 2.069 58.241 56.100 0.120 0.000 0.971 20 R CB -0.266 30.144 30.300 0.183 0.000 0.878 20 R HN 0.231 nan 8.270 nan 0.000 0.449 21 R N -0.319 120.051 120.500 -0.217 0.000 2.117 21 R HA -0.142 4.198 4.340 -0.000 0.000 0.243 21 R C 2.093 178.153 176.300 -0.400 0.000 1.143 21 R CA 1.846 57.779 56.100 -0.277 0.000 0.968 21 R CB -0.094 30.042 30.300 -0.274 0.000 0.863 21 R HN 0.166 nan 8.270 nan 0.000 0.444 22 V N 0.828 120.385 119.914 -0.594 0.000 2.358 22 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 22 V C 1.951 177.857 176.094 -0.314 0.000 1.047 22 V CA 1.988 64.029 62.300 -0.431 0.000 1.035 22 V CB -0.732 30.859 31.823 -0.388 0.000 0.658 22 V HN 0.443 nan 8.190 nan 0.000 0.452 23 N N 0.351 118.754 118.700 -0.496 0.000 2.188 23 N HA -0.174 4.566 4.740 -0.000 0.000 0.184 23 N C 1.800 177.090 175.510 -0.365 0.000 1.018 23 N CA 1.213 53.888 53.050 -0.626 0.000 0.858 23 N CB -0.098 37.530 38.487 -1.431 0.000 0.989 23 N HN 0.379 nan 8.380 nan 0.000 0.426 24 E N -0.826 119.216 120.200 -0.262 0.000 2.204 24 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 24 E C 1.416 177.968 176.600 -0.080 0.000 0.989 24 E CA 0.745 57.060 56.400 -0.142 0.000 0.824 24 E CB -0.368 29.279 29.700 -0.088 0.000 0.756 24 E HN 0.642 nan 8.360 nan 0.000 0.477 25 H N 0.648 119.619 119.070 -0.165 0.000 2.436 25 H HA 0.051 4.607 4.556 -0.000 0.000 0.294 25 H C 1.934 177.195 175.328 -0.112 0.000 1.048 25 H CA 1.253 57.231 56.048 -0.117 0.000 1.353 25 H CB 0.119 29.819 29.762 -0.102 0.000 1.414 25 H HN 0.223 nan 8.280 nan 0.000 0.536 26 I N -1.193 119.291 120.570 -0.142 0.000 3.956 26 I HA 0.130 4.300 4.170 -0.000 0.000 0.333 26 I C 1.811 177.830 176.117 -0.163 0.000 1.302 26 I CA -0.074 61.123 61.300 -0.172 0.000 1.122 26 I CB 0.044 37.969 38.000 -0.126 0.000 1.013 26 I HN 0.096 nan 8.210 nan 0.000 0.405 27 K N 2.179 122.481 120.400 -0.163 0.000 2.074 27 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 27 K C 1.982 178.517 176.600 -0.108 0.000 1.048 27 K CA 2.229 58.433 56.287 -0.138 0.000 0.926 27 K CB -0.772 31.649 32.500 -0.131 0.000 0.713 27 K HN 0.531 nan 8.250 nan 0.000 0.444 28 S N 0.960 116.593 115.700 -0.110 0.000 2.387 28 S HA 0.028 4.498 4.470 -0.000 0.000 0.226 28 S C 2.384 176.937 174.600 -0.079 0.000 1.026 28 S CA 0.519 58.667 58.200 -0.086 0.000 0.972 28 S CB -0.300 62.849 63.200 -0.085 0.000 0.814 28 S HN 0.467 nan 8.310 nan 0.000 0.477 29 A N 1.974 124.738 122.820 -0.094 0.000 1.969 29 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 29 A C 2.425 179.967 177.584 -0.069 0.000 1.169 29 A CA 1.884 53.873 52.037 -0.079 0.000 0.635 29 A CB -1.270 17.676 19.000 -0.090 0.000 0.810 29 A HN 0.787 nan 8.150 nan 0.000 0.445 30 T N -3.314 111.192 114.554 -0.079 0.000 3.060 30 T HA 0.153 4.503 4.350 -0.000 0.000 0.249 30 T C 1.559 176.230 174.700 -0.050 0.000 1.079 30 T CA 0.740 62.798 62.100 -0.070 0.000 1.013 30 T CB 0.059 68.874 68.868 -0.089 0.000 0.975 30 T HN 0.456 nan 8.240 nan 0.000 0.518 31 K N 1.555 121.927 120.400 -0.047 0.000 2.044 31 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 31 K C 1.442 178.038 176.600 -0.006 0.000 1.049 31 K CA 1.695 57.964 56.287 -0.030 0.000 0.927 31 K CB -0.421 32.058 32.500 -0.034 0.000 0.713 31 K HN 0.262 nan 8.250 nan 0.000 0.443 32 T N 0.646 115.194 114.554 -0.009 0.000 3.219 32 T HA 0.124 4.474 4.350 -0.000 0.000 0.249 32 T C 0.431 175.131 174.700 -0.000 0.000 1.099 32 T CA 0.198 62.301 62.100 0.005 0.000 0.988 32 T CB 0.440 69.308 68.868 -0.001 0.000 0.999 32 T HN 0.413 nan 8.240 nan 0.000 0.550 33 G N 0.723 109.514 108.800 -0.015 0.000 2.508 33 G HA2 0.487 4.447 3.960 -0.000 0.000 0.278 33 G HA3 0.487 4.447 3.960 -0.000 0.000 0.278 33 G C -0.763 174.110 174.900 -0.046 0.000 1.389 33 G CA -0.320 44.759 45.100 -0.036 0.000 1.050 33 G HN 0.252 nan 8.290 nan 0.000 0.522 34 V N -0.506 119.351 119.914 -0.096 0.000 2.540 34 V HA 0.439 4.559 4.120 -0.000 0.000 0.302 34 V C -0.202 175.730 176.094 -0.270 0.000 1.035 34 V CA -0.612 61.589 62.300 -0.165 0.000 0.873 34 V CB 1.721 33.457 31.823 -0.144 0.000 0.992 34 V HN 0.460 nan 8.190 nan 0.000 0.428 35 V N 4.863 124.469 119.914 -0.513 0.000 2.532 35 V HA 0.540 4.660 4.120 -0.000 0.000 0.295 35 V C -0.261 175.391 176.094 -0.737 0.000 1.041 35 V CA -0.485 61.447 62.300 -0.614 0.000 0.926 35 V CB 1.629 32.995 31.823 -0.762 0.000 0.992 35 V HN 0.961 nan 8.190 nan 0.000 0.457 36 Q N 2.373 121.992 119.800 -0.302 0.000 2.397 36 Q HA 0.708 5.048 4.340 -0.000 0.000 0.275 36 Q C -1.683 174.430 176.000 0.188 0.000 1.090 36 Q CA -0.756 55.005 55.803 -0.071 0.000 0.809 36 Q CB 3.132 31.842 28.738 -0.047 0.000 1.362 36 Q HN 0.516 nan 8.270 nan 0.000 0.431 37 V N 2.621 122.706 119.914 0.285 0.000 2.409 37 V HA 0.461 4.581 4.120 -0.000 0.000 0.290 37 V C -1.064 175.151 176.094 0.202 0.000 1.017 37 V CA -0.615 61.852 62.300 0.279 0.000 0.841 37 V CB 0.751 32.855 31.823 0.467 0.000 1.003 37 V HN 0.871 nan 8.190 nan 0.000 0.426 38 H N 2.068 121.155 119.070 0.028 0.000 3.017 38 H HA 0.945 5.501 4.556 -0.000 0.000 0.346 38 H C -0.017 175.295 175.328 -0.028 0.000 1.286 38 H CA -0.201 55.814 56.048 -0.056 0.000 1.120 38 H CB 1.875 31.585 29.762 -0.087 0.000 1.860 38 H HN 1.050 nan 8.280 nan 0.000 0.542 39 G N 0.189 109.003 108.800 0.024 0.000 2.378 39 G HA2 0.087 4.047 3.960 -0.000 0.000 0.198 39 G HA3 0.087 4.047 3.960 -0.000 0.000 0.198 39 G C -0.471 174.413 174.900 -0.026 0.000 1.223 39 G CA -0.442 44.660 45.100 0.003 0.000 1.088 39 G HN 1.421 nan 8.290 nan 0.000 0.530 40 S N 0.349 116.045 115.700 -0.007 0.000 2.568 40 S HA 0.545 5.015 4.470 -0.000 0.000 0.282 40 S C 1.696 176.302 174.600 0.011 0.000 1.338 40 S CA 0.831 59.034 58.200 0.005 0.000 1.045 40 S CB 1.524 64.742 63.200 0.029 0.000 0.873 40 S HN 2.295 nan 8.310 nan 0.000 0.516 41 A N 1.248 124.074 122.820 0.010 0.000 2.015 41 A HA -0.007 4.313 4.320 -0.000 0.000 0.219 41 A C 2.135 179.805 177.584 0.143 0.000 1.163 41 A CA 1.171 53.222 52.037 0.024 0.000 0.646 41 A CB -1.342 17.661 19.000 0.005 0.000 0.806 41 A HN 0.960 nan 8.150 nan 0.000 0.448 42 C N -0.942 118.433 119.300 0.124 0.000 2.462 42 C HA 0.062 4.522 4.460 -0.000 0.000 0.278 42 C C 1.606 176.660 174.990 0.106 0.000 1.253 42 C CA 1.364 60.461 59.018 0.131 0.000 1.713 42 C CB -0.954 26.851 27.740 0.109 0.000 2.049 42 C HN 0.688 nan 8.230 nan 0.000 0.477 43 T N -1.448 113.153 114.554 0.080 0.000 3.141 43 T HA 0.428 4.778 4.350 -0.000 0.000 0.377 43 T C -2.860 171.863 174.700 0.039 0.000 1.258 43 T CA -1.081 61.056 62.100 0.062 0.000 1.263 43 T CB 1.293 70.190 68.868 0.048 0.000 1.066 43 T HN 0.182 nan 8.240 nan 0.000 0.546 44 P HA 0.441 nan 4.420 nan 0.000 0.278 44 P C -0.381 176.867 177.300 -0.088 0.000 1.258 44 P CA -0.214 62.877 63.100 -0.016 0.000 0.811 44 P CB 1.051 32.796 31.700 0.074 0.000 1.063 45 T N 1.462 115.837 114.554 -0.299 0.000 2.907 45 T HA 0.404 4.754 4.350 -0.000 0.000 0.284 45 T C -0.227 174.289 174.700 -0.307 0.000 1.004 45 T CA -0.204 61.692 62.100 -0.340 0.000 1.063 45 T CB 0.387 68.966 68.868 -0.483 0.000 0.992 45 T HN 0.243 nan 8.240 nan 0.000 0.483 46 L N 3.729 124.909 121.223 -0.072 0.000 2.287 46 L HA 0.696 5.036 4.340 -0.000 0.000 0.287 46 L C -0.365 176.554 176.870 0.081 0.000 1.022 46 L CA 0.035 54.898 54.840 0.039 0.000 0.814 46 L CB 0.906 43.008 42.059 0.071 0.000 1.217 46 L HN 0.779 nan 8.230 nan 0.000 0.420 47 S N 3.394 119.161 115.700 0.111 0.000 2.579 47 S HA 0.890 5.360 4.470 -0.000 0.000 0.272 47 S C -1.158 173.424 174.600 -0.030 0.000 1.141 47 S CA -0.855 57.383 58.200 0.064 0.000 0.843 47 S CB 1.724 64.990 63.200 0.111 0.000 1.122 47 S HN 0.403 nan 8.310 nan 0.000 0.468 48 V N 1.800 121.668 119.914 -0.078 0.000 2.588 48 V HA 0.665 4.785 4.120 -0.000 0.000 0.304 48 V C -1.151 174.845 176.094 -0.162 0.000 1.042 48 V CA -0.588 61.643 62.300 -0.115 0.000 0.877 48 V CB 1.228 33.003 31.823 -0.079 0.000 0.996 48 V HN 0.813 nan 8.190 nan 0.000 0.425 49 L N 3.160 124.285 121.223 -0.163 0.000 2.301 49 L HA 0.981 5.321 4.340 -0.000 0.000 0.264 49 L C -0.031 176.784 176.870 -0.091 0.000 1.016 49 L CA -0.109 54.641 54.840 -0.149 0.000 0.821 49 L CB 2.264 44.222 42.059 -0.169 0.000 1.346 49 L HN 0.994 nan 8.230 nan 0.000 0.429 50 S N -1.580 114.087 115.700 -0.054 0.000 2.608 50 S HA 0.496 4.966 4.470 -0.000 0.000 0.285 50 S C -0.768 173.827 174.600 -0.008 0.000 1.108 50 S CA -0.585 57.596 58.200 -0.032 0.000 0.858 50 S CB 0.598 63.772 63.200 -0.044 0.000 1.077 50 S HN 0.784 nan 8.310 nan 0.000 0.450 51 S N 0.821 116.522 115.700 0.002 0.000 2.589 51 S HA 0.676 5.146 4.470 -0.000 0.000 0.265 51 S C -0.151 174.448 174.600 -0.003 0.000 1.342 51 S CA -0.532 57.674 58.200 0.010 0.000 1.005 51 S CB 0.676 63.883 63.200 0.011 0.000 0.909 51 S HN 1.480 nan 8.310 nan 0.000 0.555 52 V N 1.973 121.888 119.914 0.001 0.000 2.509 52 V HA 0.674 4.794 4.120 -0.000 0.000 0.289 52 V C 0.794 176.886 176.094 -0.004 0.000 1.026 52 V CA 0.196 62.491 62.300 -0.008 0.000 0.872 52 V CB 0.263 32.080 31.823 -0.009 0.000 1.017 52 V HN 1.617 nan 8.190 nan 0.000 0.436 53 G N 4.676 113.471 108.800 -0.008 0.000 2.601 53 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.252 53 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.252 53 G C 1.020 175.919 174.900 -0.000 0.000 1.294 53 G CA 0.754 45.851 45.100 -0.005 0.000 0.912 53 G HN 1.366 nan 8.290 nan 0.000 0.574 54 T N -2.478 112.077 114.554 0.002 0.000 2.777 54 T HA 0.383 4.733 4.350 -0.000 0.000 0.266 54 T C 1.455 176.158 174.700 0.005 0.000 1.040 54 T CA 2.224 64.326 62.100 0.003 0.000 1.141 54 T CB 0.028 68.898 68.868 0.004 0.000 0.868 54 T HN 2.320 nan 8.240 nan 0.000 0.444 55 A N 0.550 123.374 122.820 0.007 0.000 3.370 55 A HA 0.734 5.054 4.320 -0.000 0.000 0.295 55 A C 0.204 177.793 177.584 0.008 0.000 1.030 55 A CA -0.315 51.726 52.037 0.006 0.000 0.883 55 A CB 0.328 19.331 19.000 0.004 0.000 1.191 55 A HN 0.786 nan 8.150 nan 0.000 0.507 56 G N -0.532 108.275 108.800 0.013 0.000 2.659 56 G HA2 0.582 4.542 3.960 -0.000 0.000 0.296 56 G HA3 0.582 4.542 3.960 -0.000 0.000 0.296 56 G C -1.559 173.361 174.900 0.035 0.000 1.369 56 G CA -0.588 44.524 45.100 0.020 0.000 0.937 56 G HN 0.633 nan 8.290 nan 0.000 0.485 57 V N 1.881 121.831 119.914 0.060 0.000 2.447 57 V HA 0.411 4.531 4.120 -0.000 0.000 0.292 57 V C -0.004 176.152 176.094 0.104 0.000 1.021 57 V CA -0.647 61.713 62.300 0.099 0.000 0.850 57 V CB 1.255 33.190 31.823 0.186 0.000 1.005 57 V HN 0.810 nan 8.190 nan 0.000 0.426 58 L N 4.214 125.456 121.223 0.032 0.000 2.395 58 L HA 0.887 5.227 4.340 -0.000 0.000 0.269 58 L C 0.510 177.311 176.870 -0.115 0.000 1.133 58 L CA 0.325 55.149 54.840 -0.027 0.000 0.812 58 L CB 1.240 43.264 42.059 -0.057 0.000 1.125 58 L HN 0.778 nan 8.230 nan 0.000 0.452 59 G N 5.122 113.776 108.800 -0.242 0.000 2.704 59 G HA2 0.462 4.422 3.960 -0.000 0.000 0.280 59 G HA3 0.462 4.422 3.960 -0.000 0.000 0.280 59 G C -2.006 172.675 174.900 -0.364 0.000 1.499 59 G CA -0.455 44.330 45.100 -0.524 0.000 1.146 59 G HN 0.529 nan 8.290 nan 0.000 0.558 60 L N 2.361 123.435 121.223 -0.249 0.000 2.282 60 L HA 0.848 5.188 4.340 -0.000 0.000 0.288 60 L C -0.158 176.651 176.870 -0.100 0.000 1.033 60 L CA -0.927 53.819 54.840 -0.156 0.000 0.807 60 L CB 0.827 42.817 42.059 -0.116 0.000 1.209 60 L HN 0.542 nan 8.230 nan 0.000 0.423 61 R N 6.069 126.546 120.500 -0.039 0.000 2.532 61 R HA 0.671 5.011 4.340 -0.000 0.000 0.297 61 R C -1.308 175.039 176.300 0.078 0.000 0.984 61 R CA -0.560 55.561 56.100 0.035 0.000 0.884 61 R CB 1.785 32.116 30.300 0.051 0.000 1.182 61 R HN 0.596 nan 8.270 nan 0.000 0.442 62 I N 2.396 123.018 120.570 0.086 0.000 2.411 62 I HA 0.384 4.554 4.170 -0.000 0.000 0.284 62 I C 0.365 176.518 176.117 0.060 0.000 1.012 62 I CA -0.639 60.718 61.300 0.096 0.000 1.119 62 I CB 1.524 39.598 38.000 0.122 0.000 1.261 62 I HN 0.622 nan 8.210 nan 0.000 0.448 63 K N 3.619 124.058 120.400 0.066 0.000 2.090 63 K HA 0.353 4.673 4.320 -0.000 0.000 0.250 63 K C 0.796 177.423 176.600 0.047 0.000 1.004 63 K CA -0.481 55.832 56.287 0.043 0.000 0.919 63 K CB 0.118 32.652 32.500 0.057 0.000 1.045 63 K HN 0.742 nan 8.250 nan 0.000 0.471 64 N N -1.197 117.524 118.700 0.035 0.000 2.696 64 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 64 N C 0.515 176.046 175.510 0.035 0.000 1.090 64 N CA 1.149 54.221 53.050 0.038 0.000 0.716 64 N CB -1.183 37.331 38.487 0.044 0.000 1.020 64 N HN 0.954 nan 8.380 nan 0.000 0.548 65 A N -0.844 121.994 122.820 0.030 0.000 2.430 65 A HA 0.439 4.759 4.320 -0.000 0.000 0.243 65 A C 0.280 177.873 177.584 0.016 0.000 1.254 65 A CA 0.162 52.209 52.037 0.018 0.000 0.914 65 A CB 0.553 19.559 19.000 0.011 0.000 0.998 65 A HN 0.140 nan 8.150 nan 0.000 0.515 66 L N -1.060 120.181 121.223 0.030 0.000 2.422 66 L HA 0.583 4.923 4.340 -0.000 0.000 0.264 66 L C -0.539 176.357 176.870 0.043 0.000 0.984 66 L CA -0.034 54.830 54.840 0.041 0.000 0.819 66 L CB 2.253 44.356 42.059 0.073 0.000 1.330 66 L HN -0.080 nan 8.230 nan 0.000 0.410 67 T N 2.670 117.243 114.554 0.031 0.000 2.890 67 T HA 0.511 4.861 4.350 -0.000 0.000 0.295 67 T C -2.735 171.970 174.700 0.008 0.000 0.993 67 T CA -1.111 61.007 62.100 0.029 0.000 0.979 67 T CB 1.891 70.772 68.868 0.021 0.000 0.967 67 T HN 0.272 nan 8.240 nan 0.000 0.441 68 P HA 0.249 nan 4.420 nan 0.000 0.272 68 P C -0.571 176.718 177.300 -0.019 0.000 1.223 68 P CA -0.494 62.554 63.100 -0.087 0.000 0.784 68 P CB 0.870 32.536 31.700 -0.056 0.000 0.923 69 L N 1.870 123.065 121.223 -0.047 0.000 2.326 69 L HA 0.242 4.582 4.340 -0.000 0.000 0.278 69 L C 0.904 177.840 176.870 0.109 0.000 1.092 69 L CA -1.215 53.636 54.840 0.017 0.000 0.810 69 L CB 1.115 43.168 42.059 -0.011 0.000 1.153 69 L HN 0.234 nan 8.230 nan 0.000 0.439 70 V N 0.357 120.309 119.914 0.063 0.000 2.788 70 V HA 0.402 4.522 4.120 -0.000 0.000 0.307 70 V C 1.059 177.165 176.094 0.020 0.000 1.069 70 V CA 0.307 62.637 62.300 0.049 0.000 1.173 70 V CB 0.388 32.215 31.823 0.007 0.000 0.925 70 V HN 1.075 nan 8.190 nan 0.000 0.492 71 G N 2.622 111.406 108.800 -0.027 0.000 2.130 71 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 71 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 71 G C -0.123 174.806 174.900 0.049 0.000 0.999 71 G CA 0.333 45.417 45.100 -0.027 0.000 0.686 71 G HN 2.214 nan 8.290 nan 0.000 0.515 72 H N -1.014 118.149 119.070 0.155 0.000 2.722 72 H HA 0.602 5.158 4.556 -0.000 0.000 0.328 72 H C 1.628 177.104 175.328 0.247 0.000 1.067 72 H CA 0.273 56.480 56.048 0.266 0.000 1.447 72 H CB 0.765 30.759 29.762 0.388 0.000 1.469 72 H HN 0.219 nan 8.280 nan 0.000 0.544 73 T N 0.567 115.330 114.554 0.348 0.000 2.684 73 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 73 T C 0.627 175.469 174.700 0.236 0.000 1.036 73 T CA 1.190 63.431 62.100 0.236 0.000 1.148 73 T CB -0.546 68.460 68.868 0.229 0.000 0.863 73 T HN 0.872 nan 8.240 nan 0.000 0.436 74 E N 1.634 122.038 120.200 0.339 0.000 2.014 74 E HA 0.583 4.933 4.350 -0.000 0.000 0.275 74 E C 0.084 176.893 176.600 0.349 0.000 0.997 74 E CA -1.021 55.528 56.400 0.249 0.000 0.804 74 E CB 0.997 30.778 29.700 0.136 0.000 1.090 74 E HN 0.495 nan 8.360 nan 0.000 0.401 75 G N 1.373 110.342 108.800 0.282 0.000 3.140 75 G HA2 0.406 4.366 3.960 -0.000 0.000 0.271 75 G HA3 0.406 4.366 3.960 -0.000 0.000 0.271 75 G C 0.377 175.377 174.900 0.166 0.000 1.370 75 G CA -0.401 44.900 45.100 0.335 0.000 1.014 75 G HN 0.873 nan 8.290 nan 0.000 0.541 76 S N -3.125 112.672 115.700 0.161 0.000 2.194 76 S HA -0.218 4.251 4.470 -0.000 0.000 0.225 76 S C 1.418 176.052 174.600 0.057 0.000 1.176 76 S CA 2.284 60.540 58.200 0.093 0.000 1.694 76 S CB -1.852 61.390 63.200 0.070 0.000 2.249 76 S HN 2.219 nan 8.310 nan 0.000 0.601 77 G N 1.508 110.332 108.800 0.040 0.000 2.574 77 G HA2 0.583 4.543 3.960 -0.000 0.000 0.248 77 G HA3 0.583 4.543 3.960 -0.000 0.000 0.248 77 G C -0.484 174.404 174.900 -0.020 0.000 1.422 77 G CA 0.130 45.233 45.100 0.005 0.000 1.051 77 G HN 0.420 nan 8.290 nan 0.000 0.560 78 D N -1.889 118.479 120.400 -0.053 0.000 2.466 78 D HA 0.595 5.235 4.640 -0.000 0.000 0.262 78 D C -0.210 175.984 176.300 -0.175 0.000 1.177 78 D CA -0.072 53.875 54.000 -0.088 0.000 1.035 78 D CB 1.717 42.476 40.800 -0.068 0.000 1.105 78 D HN 0.108 nan 8.370 nan 0.000 0.551 79 V N -0.310 119.473 119.914 -0.217 0.000 2.971 79 V HA 0.615 4.735 4.120 -0.000 0.000 0.309 79 V C -0.956 174.914 176.094 -0.373 0.000 1.130 79 V CA -0.577 61.494 62.300 -0.382 0.000 0.964 79 V CB 2.149 33.739 31.823 -0.389 0.000 1.029 79 V HN 0.502 nan 8.190 nan 0.000 0.427 80 S N 3.605 118.885 115.700 -0.700 0.000 2.446 80 S HA 0.624 5.094 4.470 -0.000 0.000 0.230 80 S C -1.688 172.462 174.600 -0.750 0.000 1.051 80 S CA -0.303 57.592 58.200 -0.508 0.000 1.113 80 S CB 0.095 63.099 63.200 -0.326 0.000 1.184 80 S HN 0.411 nan 8.310 nan 0.000 0.435 81 F N 2.462 122.301 119.950 -0.186 0.000 2.449 81 F HA 0.628 5.155 4.527 -0.000 0.000 0.342 81 F C 0.564 176.374 175.800 0.018 0.000 1.127 81 F CA -0.658 57.233 58.000 -0.182 0.000 0.975 81 F CB 2.173 40.775 39.000 -0.663 0.000 1.146 81 F HN 0.411 nan 8.300 nan 0.000 0.444 82 S N 5.650 121.478 115.700 0.213 0.000 2.733 82 S HA 0.760 5.230 4.470 -0.000 0.000 0.307 82 S C -0.992 173.705 174.600 0.162 0.000 1.127 82 S CA -0.466 57.770 58.200 0.060 0.000 1.097 82 S CB -0.120 63.052 63.200 -0.046 0.000 1.003 82 S HN 0.474 nan 8.310 nan 0.000 0.477 83 F N 2.293 122.268 119.950 0.042 0.000 2.640 83 F HA 0.743 5.270 4.527 -0.000 0.000 0.324 83 F C -0.149 175.659 175.800 0.012 0.000 1.077 83 F CA -1.577 56.441 58.000 0.029 0.000 0.965 83 F CB 0.908 39.931 39.000 0.037 0.000 1.351 83 F HN 0.476 nan 8.300 nan 0.000 0.487 84 R N 0.976 121.605 120.500 0.214 0.000 2.390 84 R HA 0.276 4.616 4.340 -0.000 0.000 0.291 84 R C 0.172 176.609 176.300 0.228 0.000 1.070 84 R CA -0.327 55.850 56.100 0.129 0.000 1.014 84 R CB 0.563 30.949 30.300 0.142 0.000 1.007 84 R HN 0.841 nan 8.270 nan 0.000 0.466 85 N N 1.261 120.046 118.700 0.141 0.000 2.396 85 N HA -0.089 4.651 4.740 -0.000 0.000 0.180 85 N C -0.473 175.286 175.510 0.416 0.000 1.028 85 N CA 0.577 53.831 53.050 0.341 0.000 0.893 85 N CB 0.143 38.763 38.487 0.221 0.000 0.967 85 N HN 0.564 nan 8.380 nan 0.000 0.440 86 T N 1.176 115.877 114.554 0.245 0.000 2.963 86 T HA 0.308 4.658 4.350 -0.000 0.000 0.343 86 T C -0.474 174.354 174.700 0.215 0.000 1.146 86 T CA -0.583 61.631 62.100 0.190 0.000 1.016 86 T CB 0.812 69.735 68.868 0.091 0.000 1.046 86 T HN 0.046 nan 8.240 nan 0.000 0.496 87 S N 2.100 117.978 115.700 0.298 0.000 2.563 87 S HA 0.155 4.625 4.470 -0.000 0.000 0.284 87 S C 0.933 175.645 174.600 0.187 0.000 1.331 87 S CA -0.705 57.665 58.200 0.284 0.000 1.047 87 S CB 0.420 63.868 63.200 0.412 0.000 0.859 87 S HN 0.506 nan 8.310 nan 0.000 0.514 88 V N 2.708 122.708 119.914 0.143 0.000 2.740 88 V HA 0.418 4.538 4.120 -0.000 0.000 0.303 88 V C 1.642 177.797 176.094 0.101 0.000 1.054 88 V CA 1.269 63.630 62.300 0.102 0.000 1.106 88 V CB 0.142 32.010 31.823 0.074 0.000 0.957 88 V HN 1.255 nan 8.190 nan 0.000 0.486 89 G N 3.725 112.573 108.800 0.081 0.000 2.347 89 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.247 89 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.247 89 G C 0.616 175.567 174.900 0.085 0.000 1.037 89 G CA 0.387 45.531 45.100 0.073 0.000 0.622 89 G HN 0.754 nan 8.290 nan 0.000 0.521 90 S N 0.314 116.085 115.700 0.118 0.000 2.608 90 S HA 0.502 4.972 4.470 -0.000 0.000 0.261 90 S C 0.860 175.514 174.600 0.090 0.000 1.314 90 S CA 0.516 58.794 58.200 0.131 0.000 0.992 90 S CB 1.427 64.750 63.200 0.204 0.000 0.935 90 S HN 1.516 nan 8.310 nan 0.000 0.564 91 G N 1.141 109.994 108.800 0.089 0.000 4.782 91 G HA2 0.554 4.514 3.960 -0.000 0.000 0.327 91 G HA3 0.554 4.514 3.960 -0.000 0.000 0.327 91 G C -1.128 173.822 174.900 0.083 0.000 1.466 91 G CA -0.198 44.935 45.100 0.056 0.000 1.017 91 G HN 0.461 nan 8.290 nan 0.000 0.543 92 F N 1.492 121.346 119.950 -0.160 0.000 2.689 92 F HA 0.506 5.033 4.527 -0.000 0.000 0.332 92 F C -0.834 174.825 175.800 -0.235 0.000 1.209 92 F CA -0.409 57.403 58.000 -0.314 0.000 1.028 92 F CB 2.118 40.655 39.000 -0.772 0.000 1.291 92 F HN 0.025 nan 8.300 nan 0.000 0.500 93 T N 5.306 119.451 114.554 -0.681 0.000 2.864 93 T HA 0.209 4.559 4.350 -0.000 0.000 0.310 93 T C 0.693 175.084 174.700 -0.514 0.000 1.040 93 T CA -0.333 61.556 62.100 -0.351 0.000 0.977 93 T CB 0.671 69.430 68.868 -0.182 0.000 0.976 93 T HN 0.655 nan 8.240 nan 0.000 0.459 94 H N 2.039 120.987 119.070 -0.203 0.000 2.255 94 H HA -0.196 4.360 4.556 -0.000 0.000 0.290 94 H C 2.661 177.975 175.328 -0.024 0.000 1.087 94 H CA 2.785 58.824 56.048 -0.016 0.000 1.213 94 H CB -0.362 29.599 29.762 0.332 0.000 1.349 94 H HN 0.662 nan 8.280 nan 0.000 0.487 95 T N -0.859 113.807 114.554 0.186 0.000 2.803 95 T HA -0.208 4.142 4.350 -0.000 0.000 0.269 95 T C 2.025 176.843 174.700 0.195 0.000 1.052 95 T CA 1.439 63.683 62.100 0.240 0.000 1.136 95 T CB -0.132 68.842 68.868 0.177 0.000 0.864 95 T HN 0.290 nan 8.240 nan 0.000 0.467 96 R N 0.940 121.445 120.500 0.008 0.000 2.081 96 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 96 R C 2.273 178.572 176.300 -0.002 0.000 1.131 96 R CA 1.608 57.693 56.100 -0.024 0.000 0.960 96 R CB -0.110 30.119 30.300 -0.117 0.000 0.856 96 R HN 0.448 nan 8.270 nan 0.000 0.436 97 E N 0.555 120.688 120.200 -0.112 0.000 2.170 97 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 97 E C 2.141 178.737 176.600 -0.008 0.000 0.981 97 E CA 0.540 56.900 56.400 -0.067 0.000 0.830 97 E CB -0.086 29.486 29.700 -0.213 0.000 0.775 97 E HN 0.389 nan 8.360 nan 0.000 0.470 98 L N -0.479 120.755 121.223 0.019 0.000 2.141 98 L HA -0.067 4.273 4.340 -0.000 0.000 0.209 98 L C 1.743 178.508 176.870 -0.175 0.000 1.094 98 L CA 0.928 55.735 54.840 -0.056 0.000 0.763 98 L CB -0.251 41.784 42.059 -0.041 0.000 0.908 98 L HN 0.016 nan 8.230 nan 0.000 0.437 99 F N -0.037 119.904 119.950 -0.015 0.000 2.693 99 F HA 0.226 4.753 4.527 -0.000 0.000 0.303 99 F C 1.751 177.547 175.800 -0.006 0.000 1.097 99 F CA -0.543 57.449 58.000 -0.014 0.000 1.330 99 F CB -0.327 38.657 39.000 -0.026 0.000 1.067 99 F HN -0.083 nan 8.300 nan 0.000 0.565 100 G N 0.257 109.135 108.800 0.130 0.000 2.391 100 G HA2 0.228 4.188 3.960 -0.000 0.000 0.234 100 G HA3 0.228 4.188 3.960 -0.000 0.000 0.234 100 G C 1.020 175.979 174.900 0.098 0.000 1.284 100 G CA 0.242 45.412 45.100 0.117 0.000 0.873 100 G HN 0.362 nan 8.290 nan 0.000 0.549 101 A N 2.273 125.149 122.820 0.094 0.000 1.873 101 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 101 A C 2.056 179.686 177.584 0.077 0.000 1.186 101 A CA 1.377 53.460 52.037 0.077 0.000 0.616 101 A CB -0.267 18.771 19.000 0.064 0.000 0.823 101 A HN 0.586 nan 8.150 nan 0.000 0.442 102 N N 0.499 119.264 118.700 0.108 0.000 2.416 102 N HA 0.084 4.824 4.740 -0.000 0.000 0.215 102 N C -0.675 174.932 175.510 0.160 0.000 1.208 102 N CA 0.042 53.170 53.050 0.129 0.000 0.834 102 N CB -0.366 38.202 38.487 0.136 0.000 1.072 102 N HN 0.106 nan 8.380 nan 0.000 0.472 103 V N 1.760 121.718 119.914 0.073 0.000 2.432 103 V HA 0.142 4.262 4.120 -0.000 0.000 0.275 103 V C 1.230 177.294 176.094 -0.050 0.000 1.043 103 V CA -0.448 61.824 62.300 -0.047 0.000 0.925 103 V CB 1.653 33.413 31.823 -0.105 0.000 0.985 103 V HN 0.163 nan 8.190 nan 0.000 0.466 104 L N 3.132 124.309 121.223 -0.077 0.000 2.221 104 L HA 0.403 4.743 4.340 -0.000 0.000 0.202 104 L C 0.348 177.179 176.870 -0.066 0.000 1.074 104 L CA 1.610 56.420 54.840 -0.049 0.000 0.795 104 L CB 0.188 42.228 42.059 -0.032 0.000 0.960 104 L HN 0.698 nan 8.230 nan 0.000 0.458 105 D N -1.981 118.359 120.400 -0.101 0.000 2.623 105 D HA 0.692 5.332 4.640 -0.000 0.000 0.241 105 D C -1.390 174.842 176.300 -0.114 0.000 1.241 105 D CA 0.052 53.998 54.000 -0.089 0.000 0.788 105 D CB 2.007 42.768 40.800 -0.065 0.000 1.413 105 D HN 0.061 nan 8.370 nan 0.000 0.429 106 A N -0.146 122.623 122.820 -0.085 0.000 2.589 106 A HA 0.851 5.171 4.320 -0.000 0.000 0.296 106 A C -0.784 176.774 177.584 -0.042 0.000 1.062 106 A CA -0.265 51.730 52.037 -0.071 0.000 0.686 106 A CB 2.190 21.147 19.000 -0.073 0.000 1.282 106 A HN 0.597 nan 8.150 nan 0.000 0.404 107 G N -0.124 108.659 108.800 -0.029 0.000 2.718 107 G HA2 0.649 4.609 3.960 -0.000 0.000 0.295 107 G HA3 0.649 4.609 3.960 -0.000 0.000 0.295 107 G C -1.461 173.411 174.900 -0.046 0.000 1.421 107 G CA -0.503 44.580 45.100 -0.029 0.000 0.902 107 G HN 0.812 nan 8.290 nan 0.000 0.501 108 I N 0.737 121.250 120.570 -0.096 0.000 2.499 108 I HA 0.650 4.820 4.170 -0.000 0.000 0.288 108 I C 0.166 175.992 176.117 -0.484 0.000 1.048 108 I CA -0.924 60.219 61.300 -0.261 0.000 1.062 108 I CB 2.149 40.032 38.000 -0.195 0.000 1.238 108 I HN 0.672 nan 8.210 nan 0.000 0.426 109 A N 5.786 128.202 122.820 -0.673 0.000 2.380 109 A HA 0.951 5.271 4.320 -0.000 0.000 0.315 109 A C -1.392 175.493 177.584 -1.165 0.000 1.101 109 A CA -0.374 51.198 52.037 -0.775 0.000 0.771 109 A CB 1.162 19.814 19.000 -0.580 0.000 1.287 109 A HN 0.524 nan 8.150 nan 0.000 0.436 110 F N 0.256 119.823 119.950 -0.639 0.000 2.565 110 F HA 0.706 5.233 4.527 -0.000 0.000 0.313 110 F C -0.385 174.917 175.800 -0.829 0.000 1.091 110 F CA -0.318 57.245 58.000 -0.728 0.000 0.915 110 F CB 2.055 40.437 39.000 -1.032 0.000 1.208 110 F HN 0.711 nan 8.300 nan 0.000 0.453 111 Y N -1.367 118.593 120.300 -0.566 0.000 2.702 111 Y HA 0.886 5.436 4.550 -0.000 0.000 0.336 111 Y C -0.734 175.216 175.900 0.083 0.000 1.203 111 Y CA -1.644 56.140 58.100 -0.526 0.000 1.072 111 Y CB 0.556 38.776 38.460 -0.400 0.000 1.327 111 Y HN 0.839 nan 8.280 nan 0.000 0.456 124 Q N -1.367 118.444 119.800 0.019 0.000 2.398 124 Q HA 0.294 4.634 4.340 -0.000 0.000 0.204 124 Q C 0.303 175.978 176.000 -0.543 0.000 0.932 124 Q CA 0.340 55.985 55.803 -0.264 0.000 0.916 124 Q CB 0.020 28.520 28.738 -0.395 0.000 1.024 124 Q HN 0.509 nan 8.270 nan 0.000 0.504 125 F N 1.001 120.762 119.950 -0.315 0.000 2.480 125 F HA 0.526 5.053 4.527 -0.000 0.000 0.329 125 F C -0.529 174.899 175.800 -0.619 0.000 1.091 125 F CA -1.215 56.441 58.000 -0.574 0.000 0.972 125 F CB 2.065 40.427 39.000 -1.062 0.000 1.150 125 F HN -0.271 nan 8.300 nan 0.000 0.467 126 V N 3.145 122.865 119.914 -0.324 0.000 2.588 126 V HA 0.568 4.688 4.120 -0.000 0.000 0.304 126 V C -0.418 175.451 176.094 -0.375 0.000 1.042 126 V CA -1.010 60.984 62.300 -0.510 0.000 0.877 126 V CB 1.910 33.296 31.823 -0.728 0.000 0.996 126 V HN 0.669 nan 8.190 nan 0.000 0.425 127 R N 1.939 122.207 120.500 -0.387 0.000 2.534 127 R HA 0.714 5.054 4.340 -0.000 0.000 0.301 127 R C -0.976 175.199 176.300 -0.208 0.000 0.961 127 R CA -0.474 55.498 56.100 -0.212 0.000 0.871 127 R CB 2.296 32.538 30.300 -0.096 0.000 1.170 127 R HN 0.751 nan 8.270 nan 0.000 0.446 128 T N 1.660 116.154 114.554 -0.101 0.000 2.812 128 T HA 0.314 4.664 4.350 -0.000 0.000 0.282 128 T C -0.452 174.236 174.700 -0.020 0.000 0.990 128 T CA -0.377 61.722 62.100 -0.000 0.000 0.960 128 T CB 1.864 70.866 68.868 0.224 0.000 0.948 128 T HN 0.332 nan 8.240 nan 0.000 0.438 129 T N 4.623 119.171 114.554 -0.010 0.000 2.792 129 T HA 0.556 4.906 4.350 -0.000 0.000 0.280 129 T C -0.395 174.290 174.700 -0.026 0.000 0.990 129 T CA -0.633 61.455 62.100 -0.020 0.000 0.960 129 T CB 0.443 69.291 68.868 -0.032 0.000 0.939 129 T HN 0.324 nan 8.240 nan 0.000 0.439 130 I N 2.660 123.204 120.570 -0.043 0.000 2.474 130 I HA 0.473 4.643 4.170 -0.000 0.000 0.294 130 I C 0.116 176.045 176.117 -0.313 0.000 1.005 130 I CA -0.773 60.407 61.300 -0.201 0.000 1.113 130 I CB 1.860 39.714 38.000 -0.244 0.000 1.289 130 I HN 0.507 nan 8.210 nan 0.000 0.436 131 S N 5.633 121.106 115.700 -0.379 0.000 2.596 131 S HA 0.598 5.068 4.470 -0.000 0.000 0.318 131 S C -0.610 173.782 174.600 -0.347 0.000 1.097 131 S CA -0.515 57.534 58.200 -0.252 0.000 1.080 131 S CB 0.903 64.036 63.200 -0.112 0.000 0.991 131 S HN 0.293 nan 8.310 nan 0.000 0.471 132 Y N 1.073 121.381 120.300 0.014 0.000 2.289 132 Y HA 0.413 4.963 4.550 -0.000 0.000 0.332 132 Y C 1.911 177.816 175.900 0.008 0.000 1.324 132 Y CA 0.131 58.238 58.100 0.012 0.000 1.478 132 Y CB 0.060 38.529 38.460 0.014 0.000 1.378 132 Y HN 0.736 nan 8.280 nan 0.000 0.558 133 G N 0.415 109.328 108.800 0.189 0.000 2.672 133 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 133 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 133 G C 0.025 174.971 174.900 0.077 0.000 1.238 133 G CA 0.993 46.153 45.100 0.100 0.000 0.791 133 G HN 0.800 nan 8.290 nan 0.000 0.606 134 D N 0.773 121.221 120.400 0.080 0.000 2.451 134 D HA -0.107 4.533 4.640 -0.000 0.000 0.254 134 D C 0.534 176.871 176.300 0.062 0.000 1.204 134 D CA -0.178 53.855 54.000 0.055 0.000 0.896 134 D CB -0.304 40.523 40.800 0.045 0.000 1.136 134 D HN 0.454 nan 8.370 nan 0.000 0.499 135 N N 2.551 121.276 118.700 0.041 0.000 2.738 135 N HA -0.070 4.670 4.740 -0.000 0.000 0.220 135 N C 0.402 175.933 175.510 0.035 0.000 1.546 135 N CA -0.095 52.975 53.050 0.033 0.000 0.924 135 N CB -0.002 38.496 38.487 0.018 0.000 1.271 135 N HN 0.513 nan 8.380 nan 0.000 0.504 136 L N -1.712 119.542 121.223 0.053 0.000 2.815 136 L HA 0.149 4.489 4.340 -0.000 0.000 0.241 136 L C 0.342 177.255 176.870 0.072 0.000 1.047 136 L CA 0.063 54.932 54.840 0.048 0.000 0.939 136 L CB 0.244 42.322 42.059 0.033 0.000 1.490 136 L HN -0.006 nan 8.230 nan 0.000 0.510 137 T N 1.623 116.245 114.554 0.113 0.000 2.832 137 T HA 0.430 4.780 4.350 -0.000 0.000 0.296 137 T C 0.094 174.977 174.700 0.305 0.000 0.968 137 T CA -0.113 62.083 62.100 0.159 0.000 1.107 137 T CB 1.197 70.125 68.868 0.101 0.000 0.916 137 T HN 0.338 nan 8.240 nan 0.000 0.517 138 S N 1.941 117.793 115.700 0.252 0.000 2.651 138 S HA 0.814 5.284 4.470 -0.000 0.000 0.279 138 S C -0.996 173.753 174.600 0.248 0.000 1.148 138 S CA -0.876 57.470 58.200 0.242 0.000 0.837 138 S CB 2.135 65.387 63.200 0.088 0.000 1.138 138 S HN 0.512 nan 8.310 nan 0.000 0.478 139 T N 1.059 115.745 114.554 0.220 0.000 2.916 139 T HA 0.616 4.966 4.350 -0.000 0.000 0.298 139 T C -1.463 173.270 174.700 0.055 0.000 1.031 139 T CA -0.535 61.670 62.100 0.176 0.000 0.993 139 T CB 1.575 70.638 68.868 0.324 0.000 1.045 139 T HN 0.690 nan 8.240 nan 0.000 0.454 140 V N 3.483 123.387 119.914 -0.016 0.000 2.380 140 V HA 0.343 4.463 4.120 -0.000 0.000 0.286 140 V C -0.822 175.178 176.094 -0.158 0.000 1.015 140 V CA -0.753 61.499 62.300 -0.080 0.000 0.834 140 V CB 0.894 32.680 31.823 -0.061 0.000 1.009 140 V HN 0.913 nan 8.190 nan 0.000 0.428 141 H N 4.581 123.390 119.070 -0.434 0.000 2.504 141 H HA 0.565 5.121 4.556 -0.000 0.000 0.322 141 H C -0.251 174.871 175.328 -0.343 0.000 1.055 141 H CA -0.280 55.421 56.048 -0.579 0.000 1.231 141 H CB 0.964 29.858 29.762 -1.447 0.000 1.417 141 H HN 0.524 nan 8.280 nan 0.000 0.472 142 K N 3.490 123.527 120.400 -0.604 0.000 2.164 142 K HA 0.551 4.871 4.320 -0.000 0.000 0.258 142 K C -0.711 175.628 176.600 -0.434 0.000 0.951 142 K CA -0.804 55.262 56.287 -0.367 0.000 0.844 142 K CB 2.062 34.443 32.500 -0.199 0.000 1.099 142 K HN 0.525 nan 8.250 nan 0.000 0.435 143 S N 0.709 116.305 115.700 -0.174 0.000 2.727 143 S HA 0.450 4.920 4.470 -0.000 0.000 0.278 143 S C -1.570 173.009 174.600 -0.036 0.000 1.186 143 S CA -0.709 57.450 58.200 -0.067 0.000 0.836 143 S CB 1.303 64.526 63.200 0.038 0.000 1.186 143 S HN 0.211 nan 8.310 nan 0.000 0.499 144 V N 2.089 121.965 119.914 -0.064 0.000 2.472 144 V HA 0.495 4.615 4.120 -0.000 0.000 0.290 144 V C -0.286 175.769 176.094 -0.065 0.000 1.037 144 V CA -0.607 61.580 62.300 -0.189 0.000 0.908 144 V CB 1.548 33.256 31.823 -0.192 0.000 0.985 144 V HN 0.630 nan 8.190 nan 0.000 0.454 145 V N 5.055 124.921 119.914 -0.079 0.000 2.356 145 V HA 0.228 4.348 4.120 -0.000 0.000 0.258 145 V C 0.521 176.650 176.094 0.059 0.000 1.065 145 V CA 0.021 62.383 62.300 0.103 0.000 0.935 145 V CB 0.570 32.495 31.823 0.170 0.000 1.061 145 V HN 1.102 nan 8.190 nan 0.000 0.484 146 D N 2.930 123.383 120.400 0.089 0.000 2.540 146 D HA 0.020 4.660 4.640 -0.000 0.000 0.229 146 D C 0.552 176.879 176.300 0.044 0.000 1.250 146 D CA -0.223 53.801 54.000 0.040 0.000 0.817 146 D CB 0.560 41.374 40.800 0.023 0.000 1.060 146 D HN 0.397 nan 8.370 nan 0.000 0.508 147 Q N 1.289 121.125 119.800 0.061 0.000 2.341 147 Q HA 0.130 4.470 4.340 -0.000 0.000 0.325 147 Q C 1.279 177.281 176.000 0.004 0.000 0.920 147 Q CA -0.074 55.745 55.803 0.026 0.000 1.065 147 Q CB 0.871 29.615 28.738 0.010 0.000 1.218 147 Q HN 0.575 nan 8.270 nan 0.000 0.434 148 K N -1.100 119.302 120.400 0.003 0.000 2.281 148 K HA -0.091 4.229 4.320 -0.000 0.000 0.203 148 K C 1.551 178.137 176.600 -0.023 0.000 1.046 148 K CA 1.514 57.788 56.287 -0.021 0.000 0.938 148 K CB -0.206 32.278 32.500 -0.027 0.000 0.737 148 K HN 0.182 nan 8.250 nan 0.000 0.458 149 G N 1.879 110.675 108.800 -0.005 0.000 2.443 149 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.219 149 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.219 149 G C 0.656 175.580 174.900 0.039 0.000 1.131 149 G CA 0.089 45.196 45.100 0.011 0.000 0.775 149 G HN 0.178 nan 8.290 nan 0.000 0.547 150 I N 2.247 122.827 120.570 0.017 0.000 2.363 150 I HA 0.292 4.462 4.170 -0.000 0.000 0.292 150 I C 0.251 176.313 176.117 -0.092 0.000 1.075 150 I CA -0.579 60.731 61.300 0.016 0.000 1.333 150 I CB 0.303 38.269 38.000 -0.056 0.000 1.415 150 I HN -0.060 nan 8.210 nan 0.000 0.502 151 L N 8.318 129.527 121.223 -0.023 0.000 2.421 151 L HA 0.382 4.722 4.340 -0.000 0.000 0.263 151 L C -2.097 174.386 176.870 -0.644 0.000 1.122 151 L CA -1.726 53.017 54.840 -0.161 0.000 0.804 151 L CB 0.744 42.898 42.059 0.157 0.000 1.150 151 L HN 0.330 nan 8.230 nan 0.000 0.457 152 P HA 0.142 nan 4.420 nan 0.000 0.274 152 P C -0.615 176.468 177.300 -0.362 0.000 1.504 152 P CA -0.132 62.580 63.100 -0.646 0.000 1.011 152 P CB -0.154 31.009 31.700 -0.895 0.000 1.366 153 F N -0.052 119.843 119.950 -0.091 0.000 2.855 153 F HA 0.427 4.954 4.527 -0.000 0.000 0.317 153 F C 0.907 176.546 175.800 -0.268 0.000 1.169 153 F CA -0.545 57.356 58.000 -0.166 0.000 1.299 153 F CB -0.757 38.123 39.000 -0.200 0.000 0.962 153 F HN 0.239 nan 8.300 nan 0.000 0.506 154 H N -0.316 118.757 119.070 0.004 0.000 2.336 154 H HA 0.122 4.677 4.556 -0.000 0.000 0.307 154 H C 0.013 175.369 175.328 0.046 0.000 1.056 154 H CA 0.478 56.547 56.048 0.035 0.000 1.471 154 H CB 0.010 29.767 29.762 -0.008 0.000 1.502 154 H HN 0.089 nan 8.280 nan 0.000 0.630 155 D N 2.450 122.959 120.400 0.182 0.000 2.736 155 D HA 0.042 4.682 4.640 -0.000 0.000 0.228 155 D C 0.666 177.026 176.300 0.099 0.000 1.077 155 D CA 0.289 54.372 54.000 0.138 0.000 1.096 155 D CB -0.176 40.710 40.800 0.144 0.000 1.138 155 D HN 0.437 nan 8.370 nan 0.000 0.461 156 R N -0.782 119.764 120.500 0.077 0.000 2.962 156 R HA 0.558 4.898 4.340 -0.000 0.000 0.256 156 R C 0.191 176.512 176.300 0.035 0.000 1.199 156 R CA -1.108 55.020 56.100 0.048 0.000 1.012 156 R CB 0.267 30.586 30.300 0.032 0.000 1.289 156 R HN 0.025 nan 8.270 nan 0.000 0.462 157 M N -2.649 116.962 119.600 0.019 0.000 2.302 157 M HA -0.244 4.236 4.480 -0.000 0.000 0.200 157 M C 0.428 176.747 176.300 0.032 0.000 0.366 157 M CA 1.745 57.055 55.300 0.017 0.000 0.440 157 M CB -2.112 30.488 32.600 -0.000 0.000 1.475 157 M HN 0.948 nan 8.290 nan 0.000 0.905 158 E N 0.384 120.603 120.200 0.031 0.000 2.153 158 E HA 0.386 4.736 4.350 -0.000 0.000 0.194 158 E C 1.251 177.862 176.600 0.017 0.000 0.988 158 E CA 1.752 58.170 56.400 0.030 0.000 0.811 158 E CB -0.113 29.607 29.700 0.034 0.000 0.746 158 E HN 1.124 nan 8.360 nan 0.000 0.466 159 A N -1.976 120.852 122.820 0.014 0.000 2.275 159 A HA 0.643 4.963 4.320 -0.000 0.000 0.282 159 A C 2.009 179.595 177.584 0.004 0.000 1.275 159 A CA 0.732 52.772 52.037 0.006 0.000 0.842 159 A CB 0.221 19.224 19.000 0.004 0.000 1.280 159 A HN 1.492 nan 8.150 nan 0.000 0.508 160 G N -1.850 106.948 108.800 -0.004 0.000 4.365 160 G HA2 0.129 4.089 3.960 -0.000 0.000 0.214 160 G HA3 0.129 4.089 3.960 -0.000 0.000 0.214 160 G C 1.720 176.608 174.900 -0.019 0.000 1.450 160 G CA 1.395 46.491 45.100 -0.007 0.000 0.937 160 G HN 2.758 nan 8.290 nan 0.000 0.625 161 G N 0.590 109.377 108.800 -0.023 0.000 4.766 161 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.314 161 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.314 161 G C 1.099 175.971 174.900 -0.047 0.000 1.427 161 G CA 1.564 46.641 45.100 -0.039 0.000 1.024 161 G HN 1.554 nan 8.290 nan 0.000 0.754 162 R N 1.914 122.389 120.500 -0.043 0.000 2.524 162 R HA -0.099 4.241 4.340 -0.000 0.000 0.256 162 R C 1.124 177.434 176.300 0.017 0.000 1.231 162 R CA 1.038 57.122 56.100 -0.027 0.000 1.118 162 R CB -1.269 28.968 30.300 -0.104 0.000 0.825 162 R HN 0.598 nan 8.270 nan 0.000 0.514 163 T N 1.001 115.541 114.554 -0.024 0.000 2.882 163 T HA -0.097 4.253 4.350 -0.000 0.000 0.330 163 T C 0.571 175.258 174.700 -0.023 0.000 1.075 163 T CA 0.602 62.680 62.100 -0.037 0.000 1.129 163 T CB 0.515 69.313 68.868 -0.115 0.000 1.071 163 T HN 0.095 nan 8.240 nan 0.000 0.531 164 T N 4.883 119.439 114.554 0.004 0.000 2.729 164 T HA 0.415 4.765 4.350 -0.000 0.000 0.296 164 T C 0.465 175.228 174.700 0.105 0.000 0.928 164 T CA -0.461 61.643 62.100 0.008 0.000 1.045 164 T CB -0.043 68.790 68.868 -0.059 0.000 0.902 164 T HN 0.613 nan 8.240 nan 0.000 0.500 165 R N 2.415 122.927 120.500 0.021 0.000 2.771 165 R HA 0.821 5.161 4.340 -0.000 0.000 0.274 165 R C -1.994 174.351 176.300 0.075 0.000 0.987 165 R CA -1.170 54.968 56.100 0.064 0.000 0.908 165 R CB 1.288 31.424 30.300 -0.274 0.000 1.213 165 R HN 0.416 nan 8.270 nan 0.000 0.468 166 L N 2.110 123.489 121.223 0.259 0.000 2.408 166 L HA 0.566 4.906 4.340 -0.000 0.000 0.268 166 L C -1.976 175.067 176.870 0.289 0.000 0.986 166 L CA -0.938 53.985 54.840 0.138 0.000 0.820 166 L CB 2.204 44.333 42.059 0.115 0.000 1.303 166 L HN 0.741 nan 8.230 nan 0.000 0.411 167 L N 5.445 126.776 121.223 0.180 0.000 2.372 167 L HA 0.659 4.999 4.340 -0.000 0.000 0.273 167 L C -1.625 175.279 176.870 0.056 0.000 0.989 167 L CA -0.206 54.687 54.840 0.087 0.000 0.841 167 L CB 1.374 43.493 42.059 0.100 0.000 1.225 167 L HN 0.552 nan 8.230 nan 0.000 0.414 168 L N 4.403 125.650 121.223 0.041 0.000 2.343 168 L HA 0.644 4.984 4.340 -0.000 0.000 0.275 168 L C 0.631 177.518 176.870 0.028 0.000 1.056 168 L CA -0.428 54.447 54.840 0.058 0.000 0.804 168 L CB 1.007 43.112 42.059 0.078 0.000 1.203 168 L HN 0.735 nan 8.230 nan 0.000 0.440 169 C N -0.085 119.236 119.300 0.035 0.000 2.633 169 C HA 0.548 5.008 4.460 -0.000 0.000 0.345 169 C C 1.958 176.961 174.990 0.022 0.000 1.384 169 C CA -0.061 58.970 59.018 0.021 0.000 2.418 169 C CB -0.168 27.585 27.740 0.022 0.000 2.425 169 C HN 1.015 nan 8.230 nan 0.000 0.705 170 G N 0.550 109.361 108.800 0.017 0.000 2.514 170 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.217 170 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.217 170 G C 1.740 176.666 174.900 0.045 0.000 1.198 170 G CA 2.344 47.459 45.100 0.025 0.000 0.780 170 G HN 1.306 nan 8.290 nan 0.000 0.565 171 K N -0.074 120.351 120.400 0.042 0.000 2.001 171 K HA -0.149 4.171 4.320 -0.000 0.000 0.214 171 K C 2.571 179.221 176.600 0.083 0.000 1.050 171 K CA 2.469 58.790 56.287 0.058 0.000 0.934 171 K CB -1.718 30.794 32.500 0.020 0.000 0.718 171 K HN 0.350 nan 8.250 nan 0.000 0.443 172 T N -0.191 114.391 114.554 0.047 0.000 2.708 172 T HA -0.033 4.317 4.350 -0.000 0.000 0.266 172 T C 2.232 176.992 174.700 0.101 0.000 1.037 172 T CA 1.369 63.504 62.100 0.058 0.000 1.146 172 T CB -0.737 68.155 68.868 0.039 0.000 0.865 172 T HN 0.705 nan 8.240 nan 0.000 0.435 173 G N 1.072 109.915 108.800 0.070 0.000 2.440 173 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.218 173 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.218 173 G C 1.782 176.718 174.900 0.060 0.000 1.154 173 G CA 0.981 46.111 45.100 0.051 0.000 0.767 173 G HN 0.596 nan 8.290 nan 0.000 0.552 174 A N -0.121 122.752 122.820 0.089 0.000 1.929 174 A HA 0.223 4.543 4.320 -0.000 0.000 0.216 174 A C 2.150 179.798 177.584 0.108 0.000 1.176 174 A CA 1.159 53.246 52.037 0.084 0.000 0.628 174 A CB -0.430 18.620 19.000 0.085 0.000 0.816 174 A HN 0.326 nan 8.150 nan 0.000 0.444 175 F N -0.146 119.809 119.950 0.009 0.000 2.186 175 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 175 F C 1.897 177.714 175.800 0.029 0.000 1.090 175 F CA 1.491 59.505 58.000 0.024 0.000 1.307 175 F CB -0.045 38.961 39.000 0.010 0.000 1.019 175 F HN 0.245 nan 8.300 nan 0.000 0.489 176 L N -0.108 121.210 121.223 0.158 0.000 2.083 176 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 176 L C 2.044 178.914 176.870 0.001 0.000 1.083 176 L CA 1.625 56.462 54.840 -0.005 0.000 0.752 176 L CB -0.858 41.105 42.059 -0.159 0.000 0.899 176 L HN 0.281 nan 8.230 nan 0.000 0.433 177 L N -0.535 120.688 121.223 -0.000 0.000 2.044 177 L HA -0.176 4.164 4.340 -0.000 0.000 0.205 177 L C 2.864 179.731 176.870 -0.006 0.000 1.075 177 L CA 1.709 56.545 54.840 -0.006 0.000 0.747 177 L CB -0.565 41.491 42.059 -0.004 0.000 0.903 177 L HN 0.333 nan 8.230 nan 0.000 0.435 178 K N -0.448 119.932 120.400 -0.034 0.000 2.074 178 K HA -0.325 3.995 4.320 -0.000 0.000 0.209 178 K C 1.608 178.169 176.600 -0.066 0.000 1.048 178 K CA 2.045 58.279 56.287 -0.088 0.000 0.926 178 K CB -1.913 30.470 32.500 -0.194 0.000 0.713 178 K HN 0.670 nan 8.250 nan 0.000 0.444 179 W N 0.747 121.919 121.300 -0.213 0.000 2.355 179 W HA -0.061 4.599 4.660 -0.000 0.000 0.309 179 W C 1.844 178.302 176.519 -0.102 0.000 1.206 179 W CA 1.694 58.946 57.345 -0.155 0.000 1.284 179 W CB -0.125 29.265 29.460 -0.116 0.000 1.145 179 W HN 0.223 nan 8.180 nan 0.000 0.502 180 L N 0.822 122.126 121.223 0.134 0.000 1.970 180 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 180 L C 2.785 179.564 176.870 -0.151 0.000 1.071 180 L CA 2.392 57.224 54.840 -0.014 0.000 0.751 180 L CB -1.168 40.924 42.059 0.056 0.000 0.889 180 L HN 0.084 nan 8.230 nan 0.000 0.432 181 R N 0.838 121.276 120.500 -0.103 0.000 2.193 181 R HA -0.202 4.138 4.340 -0.000 0.000 0.229 181 R C 1.888 178.097 176.300 -0.152 0.000 1.110 181 R CA 1.401 57.437 56.100 -0.108 0.000 0.988 181 R CB -0.608 29.648 30.300 -0.073 0.000 0.871 181 R HN 0.600 nan 8.270 nan 0.000 0.458 182 Q N 0.083 119.755 119.800 -0.213 0.000 2.444 182 Q HA 0.021 4.361 4.340 -0.000 0.000 0.206 182 Q C 0.873 176.701 176.000 -0.288 0.000 0.948 182 Q CA 0.276 55.944 55.803 -0.226 0.000 0.946 182 Q CB 0.364 28.973 28.738 -0.215 0.000 1.027 182 Q HN 0.354 nan 8.270 nan 0.000 0.513 183 Q N 0.921 120.510 119.800 -0.350 0.000 2.378 183 Q HA 0.157 4.497 4.340 -0.000 0.000 0.216 183 Q C 0.055 175.936 176.000 -0.197 0.000 0.892 183 Q CA 0.298 55.892 55.803 -0.347 0.000 0.931 183 Q CB 0.474 28.908 28.738 -0.507 0.000 1.086 183 Q HN 0.318 nan 8.270 nan 0.000 0.528 184 K N 2.025 122.331 120.400 -0.157 0.000 2.436 184 K HA 0.063 4.383 4.320 -0.000 0.000 0.275 184 K C 0.239 176.789 176.600 -0.082 0.000 0.999 184 K CA 0.467 56.695 56.287 -0.098 0.000 0.980 184 K CB 0.565 33.017 32.500 -0.080 0.000 0.919 184 K HN 0.132 nan 8.250 nan 0.000 0.484 185 T N 0.636 115.154 114.554 -0.060 0.000 2.598 185 T HA 0.332 4.682 4.350 -0.000 0.000 0.254 185 T C 0.614 175.292 174.700 -0.037 0.000 0.889 185 T CA -0.705 61.366 62.100 -0.048 0.000 1.091 185 T CB 0.460 69.303 68.868 -0.042 0.000 1.437 185 T HN 0.422 nan 8.240 nan 0.000 0.542 186 K N 0.381 120.763 120.400 -0.030 0.000 2.076 186 K HA 0.322 4.642 4.320 -0.000 0.000 0.204 186 K C 0.861 177.449 176.600 -0.020 0.000 1.051 186 K CA 0.726 56.998 56.287 -0.024 0.000 0.949 186 K CB -0.292 32.196 32.500 -0.020 0.000 0.726 186 K HN 0.579 nan 8.250 nan 0.000 0.443 187 E N 1.031 121.220 120.200 -0.018 0.000 2.283 187 E HA 0.111 4.461 4.350 -0.000 0.000 0.271 187 E C -0.933 175.659 176.600 -0.013 0.000 1.031 187 E CA -0.545 55.847 56.400 -0.013 0.000 0.868 187 E CB 0.957 30.651 29.700 -0.010 0.000 1.094 187 E HN 0.008 nan 8.360 nan 0.000 0.401 188 D N 1.289 121.684 120.400 -0.008 0.000 2.329 188 D HA 0.197 4.837 4.640 -0.000 0.000 0.246 188 D C -0.773 175.528 176.300 0.001 0.000 1.111 188 D CA 0.183 54.180 54.000 -0.004 0.000 0.941 188 D CB 0.584 41.384 40.800 0.001 0.000 1.169 188 D HN 0.347 nan 8.370 nan 0.000 0.441 189 Q N -0.356 119.448 119.800 0.008 0.000 2.528 189 Q HA 0.472 4.812 4.340 -0.000 0.000 0.289 189 Q C -0.866 175.153 176.000 0.032 0.000 1.091 189 Q CA -1.108 54.705 55.803 0.017 0.000 0.797 189 Q CB 1.788 30.533 28.738 0.012 0.000 1.466 189 Q HN 0.534 nan 8.270 nan 0.000 0.436 190 T N -1.883 112.696 114.554 0.041 0.000 2.829 190 T HA 0.606 4.956 4.350 -0.000 0.000 0.282 190 T C -0.358 174.390 174.700 0.080 0.000 0.990 190 T CA -0.543 61.589 62.100 0.054 0.000 1.028 190 T CB 0.732 69.628 68.868 0.047 0.000 0.951 190 T HN 0.283 nan 8.240 nan 0.000 0.460 191 V N 4.142 124.120 119.914 0.107 0.000 2.435 191 V HA 0.613 4.733 4.120 -0.000 0.000 0.290 191 V C 0.876 177.058 176.094 0.148 0.000 1.030 191 V CA -0.904 61.491 62.300 0.159 0.000 0.881 191 V CB 1.465 33.425 31.823 0.228 0.000 0.983 191 V HN 1.167 nan 8.190 nan 0.000 0.445 192 T N 1.925 116.564 114.554 0.141 0.000 2.799 192 T HA 0.720 5.070 4.350 -0.000 0.000 0.286 192 T C -0.642 174.108 174.700 0.083 0.000 0.973 192 T CA -0.578 61.584 62.100 0.104 0.000 1.035 192 T CB 1.404 70.319 68.868 0.079 0.000 0.932 192 T HN 0.370 nan 8.240 nan 0.000 0.469 193 V N 4.027 123.978 119.914 0.061 0.000 2.448 193 V HA 0.722 4.842 4.120 -0.000 0.000 0.295 193 V C 0.212 176.326 176.094 0.033 0.000 1.025 193 V CA -0.760 61.500 62.300 -0.067 0.000 0.859 193 V CB 1.263 33.101 31.823 0.025 0.000 0.988 193 V HN 1.242 nan 8.190 nan 0.000 0.431 194 S N 3.726 119.357 115.700 -0.114 0.000 2.632 194 S HA 0.919 5.389 4.470 -0.000 0.000 0.289 194 S C -1.091 173.338 174.600 -0.285 0.000 1.115 194 S CA -0.814 57.291 58.200 -0.157 0.000 0.889 194 S CB 2.299 65.435 63.200 -0.107 0.000 1.116 194 S HN 0.445 nan 8.310 nan 0.000 0.486 195 V N 1.346 121.024 119.914 -0.393 0.000 2.686 195 V HA 0.693 4.813 4.120 -0.000 0.000 0.306 195 V C -0.303 175.657 176.094 -0.224 0.000 1.065 195 V CA -0.641 61.441 62.300 -0.364 0.000 0.894 195 V CB 1.759 33.157 31.823 -0.709 0.000 1.004 195 V HN 1.015 nan 8.190 nan 0.000 0.424 196 S N 2.338 117.967 115.700 -0.118 0.000 2.442 196 S HA 0.334 4.804 4.470 -0.000 0.000 0.297 196 S C 0.752 175.298 174.600 -0.091 0.000 1.131 196 S CA -0.362 57.775 58.200 -0.105 0.000 1.092 196 S CB 1.521 64.662 63.200 -0.099 0.000 0.998 196 S HN 0.924 nan 8.310 nan 0.000 0.478 197 E N 3.260 123.404 120.200 -0.094 0.000 2.122 197 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 197 E C 1.228 177.765 176.600 -0.106 0.000 0.977 197 E CA 1.139 57.485 56.400 -0.090 0.000 0.820 197 E CB -0.160 29.485 29.700 -0.091 0.000 0.770 197 E HN 0.802 nan 8.360 nan 0.000 0.462 198 T N 1.751 116.248 114.554 -0.095 0.000 2.622 198 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 198 T C 0.953 175.582 174.700 -0.119 0.000 1.047 198 T CA 1.077 63.122 62.100 -0.091 0.000 1.159 198 T CB -0.148 68.677 68.868 -0.073 0.000 0.863 198 T HN 0.078 nan 8.240 nan 0.000 0.422 199 L N 1.216 122.358 121.223 -0.135 0.000 2.334 199 L HA 0.352 4.692 4.340 -0.000 0.000 0.277 199 L C 0.183 176.889 176.870 -0.273 0.000 1.075 199 L CA -0.559 54.178 54.840 -0.172 0.000 0.804 199 L CB 1.250 43.226 42.059 -0.138 0.000 1.174 199 L HN -0.033 nan 8.230 nan 0.000 0.438 200 S N 4.301 119.748 115.700 -0.422 0.000 3.869 200 S HA 0.488 4.958 4.470 -0.000 0.000 0.241 200 S C -0.130 173.868 174.600 -1.003 0.000 1.363 200 S CA -0.193 57.465 58.200 -0.904 0.000 0.894 200 S CB -0.765 61.793 63.200 -1.070 0.000 1.519 200 S HN 0.312 nan 8.310 nan 0.000 0.470 201 I N 1.496 121.812 120.570 -0.423 0.000 2.619 201 I HA 0.439 4.609 4.170 -0.000 0.000 0.292 201 I C -0.781 175.391 176.117 0.092 0.000 1.100 201 I CA -0.967 60.270 61.300 -0.105 0.000 1.043 201 I CB 2.281 40.219 38.000 -0.103 0.000 1.239 201 I HN 0.035 nan 8.210 nan 0.000 0.420 202 V N 3.444 123.461 119.914 0.172 0.000 2.448 202 V HA 0.549 4.669 4.120 -0.000 0.000 0.295 202 V C 0.006 176.091 176.094 -0.014 0.000 1.025 202 V CA -0.448 61.884 62.300 0.054 0.000 0.859 202 V CB 1.946 33.847 31.823 0.131 0.000 0.988 202 V HN 0.859 nan 8.190 nan 0.000 0.431 203 T N 2.392 116.865 114.554 -0.135 0.000 2.841 203 T HA 0.732 5.082 4.350 -0.000 0.000 0.283 203 T C -1.011 173.570 174.700 -0.198 0.000 1.000 203 T CA -0.423 61.630 62.100 -0.078 0.000 0.977 203 T CB 1.126 69.978 68.868 -0.027 0.000 0.979 203 T HN 0.189 nan 8.240 nan 0.000 0.446 204 F N 2.395 122.346 119.950 0.002 0.000 2.404 204 F HA 0.598 5.125 4.527 -0.000 0.000 0.354 204 F C 0.881 176.769 175.800 0.147 0.000 1.122 204 F CA -0.613 57.440 58.000 0.088 0.000 1.080 204 F CB 1.905 40.957 39.000 0.088 0.000 1.131 204 F HN 0.649 nan 8.300 nan 0.000 0.471 205 S N 5.951 121.835 115.700 0.307 0.000 2.519 205 S HA 0.798 5.268 4.470 -0.000 0.000 0.309 205 S C -1.275 173.484 174.600 0.266 0.000 1.100 205 S CA -0.533 57.830 58.200 0.273 0.000 1.059 205 S CB 0.789 64.080 63.200 0.151 0.000 1.008 205 S HN 0.701 nan 8.310 nan 0.000 0.478 206 L N 4.668 126.053 121.223 0.271 0.000 2.505 206 L HA 0.643 4.983 4.340 -0.000 0.000 0.259 206 L C 0.769 177.704 176.870 0.109 0.000 0.952 206 L CA 0.277 55.219 54.840 0.171 0.000 0.840 206 L CB 1.319 43.476 42.059 0.163 0.000 1.358 206 L HN 0.972 nan 8.230 nan 0.000 0.409 207 G N 3.230 112.071 108.800 0.067 0.000 2.665 207 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.326 207 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.326 207 G C 0.617 175.554 174.900 0.062 0.000 1.231 207 G CA 0.418 45.544 45.100 0.044 0.000 0.992 207 G HN 1.334 nan 8.290 nan 0.000 0.549 208 G N -0.330 108.507 108.800 0.062 0.000 3.993 208 G HA2 0.650 4.610 3.960 -0.000 0.000 0.294 208 G HA3 0.650 4.610 3.960 -0.000 0.000 0.294 208 G C 0.019 174.984 174.900 0.107 0.000 1.043 208 G CA 1.269 46.413 45.100 0.074 0.000 0.839 208 G HN 1.860 nan 8.290 nan 0.000 0.516 209 V N -2.818 117.191 119.914 0.158 0.000 2.914 209 V HA 0.929 5.049 4.120 -0.000 0.000 0.314 209 V C -0.512 175.829 176.094 0.411 0.000 1.084 209 V CA -0.970 61.485 62.300 0.258 0.000 0.963 209 V CB 1.709 33.687 31.823 0.259 0.000 1.025 209 V HN 0.013 nan 8.190 nan 0.000 0.432 210 S N 1.828 117.764 115.700 0.392 0.000 2.599 210 S HA 0.705 5.175 4.470 -0.000 0.000 0.287 210 S C -0.965 173.605 174.600 -0.050 0.000 1.105 210 S CA -0.899 57.457 58.200 0.260 0.000 0.899 210 S CB 2.021 65.297 63.200 0.127 0.000 1.100 210 S HN 0.926 nan 8.310 nan 0.000 0.482 211 K N 1.903 122.067 120.400 -0.394 0.000 2.426 211 K HA 0.517 4.837 4.320 -0.000 0.000 0.254 211 K C -1.412 175.087 176.600 -0.169 0.000 0.936 211 K CA -0.592 55.321 56.287 -0.623 0.000 0.801 211 K CB 0.659 32.311 32.500 -1.413 0.000 1.139 211 K HN 0.456 nan 8.250 nan 0.000 0.424 212 I N 5.998 126.503 120.570 -0.108 0.000 2.359 212 I HA 0.406 4.576 4.170 -0.000 0.000 0.294 212 I C -0.070 176.052 176.117 0.009 0.000 0.987 212 I CA -0.703 60.585 61.300 -0.020 0.000 1.225 212 I CB 1.113 39.097 38.000 -0.028 0.000 1.366 212 I HN 0.575 nan 8.210 nan 0.000 0.466 213 I N 5.389 126.005 120.570 0.078 0.000 2.499 213 I HA 0.239 4.409 4.170 -0.000 0.000 0.288 213 I C -0.760 175.429 176.117 0.120 0.000 1.048 213 I CA -0.764 60.600 61.300 0.106 0.000 1.062 213 I CB 2.345 40.465 38.000 0.200 0.000 1.238 213 I HN 0.515 nan 8.210 nan 0.000 0.426 214 D N 5.886 126.319 120.400 0.056 0.000 2.268 214 D HA 0.623 5.263 4.640 -0.000 0.000 0.249 214 D C -0.795 175.555 176.300 0.084 0.000 1.008 214 D CA -0.320 53.664 54.000 -0.028 0.000 0.939 214 D CB 1.773 42.504 40.800 -0.115 0.000 1.170 214 D HN 0.291 nan 8.370 nan 0.000 0.468 215 F N -3.610 116.341 119.950 0.001 0.000 2.626 215 F HA 0.744 5.271 4.527 -0.000 0.000 0.311 215 F C -0.412 175.389 175.800 0.001 0.000 1.088 215 F CA -1.535 56.473 58.000 0.013 0.000 0.949 215 F CB 0.708 39.730 39.000 0.037 0.000 1.322 215 F HN 0.417 nan 8.300 nan 0.000 0.461 216 K N 1.662 122.199 120.400 0.230 0.000 2.262 216 K HA 0.670 4.990 4.320 -0.000 0.000 0.282 216 K C -3.162 173.589 176.600 0.251 0.000 1.066 216 K CA -1.902 54.460 56.287 0.126 0.000 0.901 216 K CB -0.111 32.440 32.500 0.084 0.000 1.089 216 K HN 0.593 nan 8.250 nan 0.000 0.476 217 P HA 0.231 nan 4.420 nan 0.000 0.286 217 P C -0.877 176.486 177.300 0.105 0.000 1.269 217 P CA -0.394 62.834 63.100 0.212 0.000 0.787 217 P CB 1.078 32.855 31.700 0.128 0.000 0.920 218 E N 2.182 122.440 120.200 0.097 0.000 2.290 218 E HA 0.084 4.434 4.350 -0.000 0.000 0.277 218 E C 0.964 177.595 176.600 0.052 0.000 1.035 218 E CA 0.172 56.612 56.400 0.068 0.000 0.873 218 E CB 0.711 30.452 29.700 0.069 0.000 1.029 218 E HN 0.391 nan 8.360 nan 0.000 0.419 219 T N 2.471 117.050 114.554 0.043 0.000 2.588 219 T HA -0.139 4.211 4.350 -0.000 0.000 0.261 219 T C 0.991 175.722 174.700 0.052 0.000 1.069 219 T CA 1.844 63.968 62.100 0.041 0.000 1.172 219 T CB -0.197 68.689 68.868 0.030 0.000 0.863 219 T HN 0.645 nan 8.240 nan 0.000 0.408 220 K N 3.130 123.556 120.400 0.043 0.000 2.511 220 K HA 0.094 4.414 4.320 -0.000 0.000 0.277 220 K C -2.575 174.053 176.600 0.048 0.000 1.025 220 K CA -0.616 55.695 56.287 0.041 0.000 1.112 220 K CB -1.511 31.010 32.500 0.035 0.000 0.859 220 K HN 0.294 nan 8.250 nan 0.000 0.485 221 P HA 0.202 nan 4.420 nan 0.000 0.270 221 P C -0.208 177.108 177.300 0.027 0.000 1.242 221 P CA -0.420 62.705 63.100 0.041 0.000 0.768 221 P CB 0.661 32.373 31.700 0.021 0.000 0.820 222 V N 0.951 120.880 119.914 0.025 0.000 3.096 222 V HA 0.911 5.031 4.120 -0.000 0.000 0.319 222 V C -0.300 175.784 176.094 -0.017 0.000 1.103 222 V CA -1.049 61.257 62.300 0.011 0.000 1.016 222 V CB 2.120 33.956 31.823 0.021 0.000 1.090 222 V HN 0.517 nan 8.190 nan 0.000 0.449 223 S N 0.221 115.907 115.700 -0.024 0.000 2.571 223 S HA 0.875 5.345 4.470 -0.000 0.000 0.284 223 S C 0.320 174.873 174.600 -0.078 0.000 1.128 223 S CA 0.167 58.336 58.200 -0.052 0.000 0.970 223 S CB 0.888 64.074 63.200 -0.024 0.000 1.039 223 S HN 2.808 nan 8.310 nan 0.000 0.485 224 G N 2.460 111.155 108.800 -0.175 0.000 2.547 224 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.271 224 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.271 224 G C 0.093 174.773 174.900 -0.365 0.000 1.209 224 G CA 0.526 45.461 45.100 -0.276 0.000 0.959 224 G HN 0.915 nan 8.290 nan 0.000 0.563 225 W N 0.759 122.090 121.300 0.051 0.000 2.872 225 W HA 0.316 4.976 4.660 -0.000 0.000 0.266 225 W C 0.711 177.255 176.519 0.042 0.000 1.276 225 W CA 0.201 57.574 57.345 0.047 0.000 1.471 225 W CB 0.248 29.743 29.460 0.058 0.000 1.071 225 W HN 0.321 nan 8.180 nan 0.000 0.619 226 D N 0.710 121.242 120.400 0.219 0.000 2.533 226 D HA 0.250 4.890 4.640 -0.000 0.000 0.236 226 D C 1.221 177.588 176.300 0.112 0.000 1.137 226 D CA 1.857 55.943 54.000 0.144 0.000 0.867 226 D CB 0.553 41.413 40.800 0.101 0.000 1.170 226 D HN 0.284 nan 8.370 nan 0.000 0.474 227 G N 1.921 110.782 108.800 0.101 0.000 2.203 227 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.231 227 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.231 227 G C 0.371 175.330 174.900 0.099 0.000 1.058 227 G CA -0.164 44.985 45.100 0.082 0.000 0.781 227 G HN 0.502 nan 8.290 nan 0.000 0.496 228 L N -1.279 120.021 121.223 0.128 0.000 3.584 228 L HA 0.297 4.637 4.340 -0.000 0.000 0.354 228 L C 0.100 177.048 176.870 0.129 0.000 1.345 228 L CA -0.212 54.717 54.840 0.147 0.000 0.970 228 L CB 0.649 42.844 42.059 0.226 0.000 1.374 228 L HN 0.160 nan 8.230 nan 0.000 0.612 229 K N 0.572 121.028 120.400 0.093 0.000 2.814 229 K HA 0.617 4.937 4.320 -0.000 0.000 0.205 229 K C 0.471 177.095 176.600 0.040 0.000 1.093 229 K CA 0.149 56.473 56.287 0.061 0.000 1.035 229 K CB 1.866 34.400 32.500 0.056 0.000 1.220 229 K HN 0.190 nan 8.250 nan 0.000 0.576 230 G N 2.403 111.224 108.800 0.035 0.000 4.731 230 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.266 230 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.266 230 G C 0.090 175.009 174.900 0.033 0.000 1.635 230 G CA -0.200 44.926 45.100 0.043 0.000 1.229 230 G HN 0.444 nan 8.290 nan 0.000 0.663 231 K N 3.221 123.637 120.400 0.026 0.000 3.296 231 K HA 0.009 4.329 4.320 -0.000 0.000 0.275 231 K C 1.427 178.032 176.600 0.008 0.000 0.901 231 K CA 1.450 57.746 56.287 0.015 0.000 1.049 231 K CB -0.244 32.255 32.500 -0.002 0.000 1.134 231 K HN 0.898 nan 8.250 nan 0.000 0.318 232 K N -0.439 119.968 120.400 0.012 0.000 2.108 232 K HA 0.062 4.382 4.320 -0.000 0.000 0.204 232 K C 0.633 177.238 176.600 0.008 0.000 1.036 232 K CA 0.355 56.646 56.287 0.006 0.000 0.965 232 K CB 0.079 32.583 32.500 0.006 0.000 0.804 232 K HN 0.160 nan 8.250 nan 0.000 0.454 233 S N 0.260 115.967 115.700 0.012 0.000 2.904 233 S HA 0.194 4.664 4.470 -0.000 0.000 0.260 233 S C -0.821 173.787 174.600 0.014 0.000 1.000 233 S CA -0.557 57.648 58.200 0.009 0.000 1.274 233 S CB 1.485 64.687 63.200 0.004 0.000 1.196 233 S HN 0.214 nan 8.310 nan 0.000 0.678 234 V N 2.185 122.115 119.914 0.025 0.000 2.823 234 V HA 0.540 4.660 4.120 -0.000 0.000 0.312 234 V C -1.897 174.233 176.094 0.061 0.000 1.072 234 V CA -0.800 61.523 62.300 0.039 0.000 0.937 234 V CB 2.005 33.851 31.823 0.039 0.000 1.013 234 V HN 0.120 nan 8.190 nan 0.000 0.430 235 D N 4.710 125.162 120.400 0.087 0.000 2.280 235 D HA 0.478 5.118 4.640 -0.000 0.000 0.243 235 D C -0.355 176.052 176.300 0.179 0.000 1.129 235 D CA 0.139 54.214 54.000 0.125 0.000 0.848 235 D CB 1.922 42.811 40.800 0.149 0.000 1.107 235 D HN 0.372 nan 8.370 nan 0.000 0.471 236 V N 0.840 120.842 119.914 0.146 0.000 2.881 236 V HA 0.914 5.034 4.120 -0.000 0.000 0.316 236 V C 0.727 176.854 176.094 0.056 0.000 1.070 236 V CA -0.646 61.750 62.300 0.161 0.000 0.976 236 V CB 2.105 34.007 31.823 0.132 0.000 1.038 236 V HN 0.719 nan 8.190 nan 0.000 0.446 237 G N 0.816 109.643 108.800 0.046 0.000 2.646 237 G HA2 0.618 4.578 3.960 -0.000 0.000 0.291 237 G HA3 0.618 4.578 3.960 -0.000 0.000 0.291 237 G C -2.084 172.793 174.900 -0.038 0.000 1.445 237 G CA -0.447 44.489 45.100 -0.273 0.000 0.814 237 G HN 0.587 nan 8.290 nan 0.000 0.495 238 V N -0.030 119.827 119.914 -0.095 0.000 2.638 238 V HA 0.762 4.882 4.120 -0.000 0.000 0.306 238 V C -0.589 175.464 176.094 -0.068 0.000 1.052 238 V CA -0.696 61.586 62.300 -0.029 0.000 0.885 238 V CB 1.724 33.537 31.823 -0.017 0.000 0.999 238 V HN 0.765 nan 8.190 nan 0.000 0.424 239 V N 3.759 123.609 119.914 -0.107 0.000 2.655 239 V HA 0.381 4.501 4.120 -0.000 0.000 0.301 239 V C -0.335 175.595 176.094 -0.273 0.000 1.082 239 V CA -0.399 61.823 62.300 -0.131 0.000 0.899 239 V CB 1.661 33.454 31.823 -0.049 0.000 1.014 239 V HN 0.972 nan 8.190 nan 0.000 0.429 240 H N 1.232 120.278 119.070 -0.041 0.000 2.705 240 H HA 0.398 4.954 4.556 -0.000 0.000 0.269 240 H C 0.233 175.534 175.328 -0.044 0.000 0.998 240 H CA 0.661 56.689 56.048 -0.035 0.000 1.193 240 H CB 1.078 30.823 29.762 -0.027 0.000 1.485 240 H HN 0.674 nan 8.280 nan 0.000 0.521 241 T N -0.111 114.444 114.554 0.002 0.000 2.932 241 T HA 0.115 4.465 4.350 -0.000 0.000 0.318 241 T C -1.182 173.461 174.700 -0.095 0.000 1.265 241 T CA -1.035 61.047 62.100 -0.030 0.000 1.036 241 T CB 2.340 71.198 68.868 -0.016 0.000 1.209 241 T HN -0.065 nan 8.240 nan 0.000 0.484 242 D N 1.597 121.938 120.400 -0.098 0.000 2.449 242 D HA 0.486 5.126 4.640 -0.000 0.000 0.236 242 D C -0.083 176.107 176.300 -0.184 0.000 1.149 242 D CA 0.405 54.319 54.000 -0.143 0.000 0.878 242 D CB 0.589 41.325 40.800 -0.106 0.000 1.198 242 D HN 0.775 nan 8.370 nan 0.000 0.446 243 A N 1.601 124.237 122.820 -0.307 0.000 2.374 243 A HA 0.709 5.029 4.320 -0.000 0.000 0.317 243 A C -1.479 175.941 177.584 -0.273 0.000 1.094 243 A CA -0.625 51.187 52.037 -0.375 0.000 0.765 243 A CB 1.314 19.783 19.000 -0.885 0.000 1.268 243 A HN 0.390 nan 8.150 nan 0.000 0.438 244 L N 1.040 122.213 121.223 -0.083 0.000 2.505 244 L HA 0.755 5.095 4.340 -0.000 0.000 0.266 244 L C -0.938 176.020 176.870 0.146 0.000 0.954 244 L CA 0.145 54.998 54.840 0.022 0.000 0.852 244 L CB 1.901 43.959 42.059 -0.001 0.000 1.282 244 L HN 0.583 nan 8.230 nan 0.000 0.403 245 S N 3.747 119.576 115.700 0.215 0.000 2.549 245 S HA 0.802 5.272 4.470 -0.000 0.000 0.280 245 S C -1.189 173.488 174.600 0.128 0.000 1.109 245 S CA -0.842 57.476 58.200 0.197 0.000 0.905 245 S CB 2.066 65.418 63.200 0.253 0.000 1.081 245 S HN 0.660 nan 8.310 nan 0.000 0.477 246 R N 0.422 120.977 120.500 0.091 0.000 2.407 246 R HA 0.662 5.002 4.340 -0.000 0.000 0.298 246 R C -0.540 175.798 176.300 0.064 0.000 1.166 246 R CA -0.736 55.411 56.100 0.078 0.000 1.006 246 R CB 0.299 30.637 30.300 0.064 0.000 1.145 246 R HN 0.409 nan 8.270 nan 0.000 0.538 247 V N -0.656 119.300 119.914 0.071 0.000 3.193 247 V HA 0.585 4.705 4.120 -0.000 0.000 0.320 247 V C 0.308 176.437 176.094 0.059 0.000 1.112 247 V CA -0.999 61.334 62.300 0.054 0.000 1.026 247 V CB 1.834 33.685 31.823 0.047 0.000 1.128 247 V HN 0.655 nan 8.190 nan 0.000 0.452 248 S N 0.566 116.292 115.700 0.043 0.000 2.510 248 S HA 0.204 4.674 4.470 -0.000 0.000 0.279 248 S C 0.701 175.329 174.600 0.047 0.000 1.284 248 S CA -0.266 57.957 58.200 0.038 0.000 1.059 248 S CB 0.348 63.562 63.200 0.023 0.000 0.901 248 S HN 0.954 nan 8.310 nan 0.000 0.491 249 L N 5.747 126.999 121.223 0.048 0.000 2.012 249 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 249 L C 2.223 179.109 176.870 0.027 0.000 1.073 249 L CA 2.027 56.897 54.840 0.049 0.000 0.748 249 L CB -0.922 41.157 42.059 0.033 0.000 0.891 249 L HN 0.882 nan 8.230 nan 0.000 0.431 250 E N -0.931 119.277 120.200 0.013 0.000 2.058 250 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 250 E C 2.133 178.736 176.600 0.005 0.000 0.997 250 E CA 1.575 57.976 56.400 0.002 0.000 0.801 250 E CB -0.224 29.474 29.700 -0.003 0.000 0.746 250 E HN 0.502 nan 8.360 nan 0.000 0.450 251 S N 0.982 116.690 115.700 0.012 0.000 2.383 251 S HA -0.155 4.315 4.470 -0.000 0.000 0.229 251 S C 1.895 176.507 174.600 0.019 0.000 1.030 251 S CA 0.748 58.955 58.200 0.012 0.000 1.002 251 S CB -0.205 63.004 63.200 0.015 0.000 0.829 251 S HN 0.133 nan 8.310 nan 0.000 0.467 252 L N 2.156 123.400 121.223 0.035 0.000 2.027 252 L HA -0.039 4.301 4.340 -0.000 0.000 0.206 252 L C 1.882 178.771 176.870 0.033 0.000 1.074 252 L CA 1.578 56.449 54.840 0.050 0.000 0.745 252 L CB -0.737 41.381 42.059 0.098 0.000 0.898 252 L HN 0.183 nan 8.230 nan 0.000 0.433 253 I N 0.254 120.837 120.570 0.021 0.000 2.069 253 I HA -0.330 3.840 4.170 -0.000 0.000 0.237 253 I C 2.717 178.834 176.117 -0.000 0.000 1.053 253 I CA 1.744 63.046 61.300 0.005 0.000 1.311 253 I CB -1.967 36.029 38.000 -0.008 0.000 1.030 253 I HN 0.363 nan 8.210 nan 0.000 0.398 254 A N 0.925 123.741 122.820 -0.007 0.000 1.917 254 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 254 A C 2.594 180.173 177.584 -0.009 0.000 1.182 254 A CA 2.546 54.573 52.037 -0.017 0.000 0.633 254 A CB -0.954 18.031 19.000 -0.024 0.000 0.819 254 A HN 0.492 nan 8.150 nan 0.000 0.448 255 A N -0.168 122.652 122.820 0.001 0.000 1.851 255 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 255 A C 2.155 179.745 177.584 0.011 0.000 1.195 255 A CA 1.679 53.718 52.037 0.004 0.000 0.622 255 A CB -0.784 18.221 19.000 0.010 0.000 0.831 255 A HN 0.500 nan 8.150 nan 0.000 0.444 256 L N -1.442 119.790 121.223 0.016 0.000 2.191 256 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 256 L C 2.748 179.640 176.870 0.036 0.000 1.103 256 L CA 1.639 56.491 54.840 0.020 0.000 0.769 256 L CB -0.365 41.701 42.059 0.012 0.000 0.908 256 L HN 0.473 nan 8.230 nan 0.000 0.438 257 R N 0.258 120.780 120.500 0.038 0.000 2.100 257 R HA -0.017 4.323 4.340 -0.000 0.000 0.220 257 R C 2.239 178.630 176.300 0.153 0.000 1.091 257 R CA 0.670 56.811 56.100 0.068 0.000 0.986 257 R CB 0.012 30.325 30.300 0.022 0.000 0.888 257 R HN 0.228 nan 8.270 nan 0.000 0.444 258 L N -0.401 120.871 121.223 0.080 0.000 2.156 258 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 258 L C 1.778 178.746 176.870 0.163 0.000 1.095 258 L CA 0.678 55.576 54.840 0.097 0.000 0.770 258 L CB -0.032 42.019 42.059 -0.014 0.000 0.914 258 L HN 0.325 nan 8.230 nan 0.000 0.439 259 C N -0.672 118.673 119.300 0.074 0.000 2.626 259 C HA 0.061 4.521 4.460 -0.000 0.000 0.266 259 C C 1.229 176.260 174.990 0.069 0.000 1.317 259 C CA -0.419 58.611 59.018 0.020 0.000 1.716 259 C CB -1.178 26.541 27.740 -0.034 0.000 1.819 259 C HN 0.127 nan 8.230 nan 0.000 0.578 260 K N 1.806 122.257 120.400 0.086 0.000 2.290 260 K HA 0.398 4.718 4.320 -0.000 0.000 0.250 260 K C -0.999 175.535 176.600 -0.111 0.000 1.092 260 K CA 0.084 56.395 56.287 0.040 0.000 1.006 260 K CB 0.021 32.552 32.500 0.052 0.000 1.549 260 K HN 0.083 nan 8.250 nan 0.000 0.436 261 V N 6.600 126.468 119.914 -0.077 0.000 2.293 261 V HA 0.342 4.462 4.120 -0.000 0.000 0.275 261 V C -2.201 173.875 176.094 -0.030 0.000 1.021 261 V CA -2.331 59.824 62.300 -0.242 0.000 0.815 261 V CB 1.063 32.875 31.823 -0.017 0.000 1.025 261 V HN 0.644 nan 8.190 nan 0.000 0.448 262 P HA 0.134 nan 4.420 nan 0.000 0.256 262 P C 1.046 178.420 177.300 0.123 0.000 1.173 262 P CA 1.469 64.581 63.100 0.020 0.000 0.768 262 P CB 0.347 32.048 31.700 0.003 0.000 0.758 263 G N 1.131 109.959 108.800 0.047 0.000 2.157 263 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.248 263 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.248 263 G C 0.193 174.922 174.900 -0.285 0.000 0.979 263 G CA -0.082 44.981 45.100 -0.061 0.000 0.650 263 G HN 0.492 nan 8.290 nan 0.000 0.529 264 W N -1.337 119.820 121.300 -0.239 0.000 5.014 264 W HA 0.628 5.287 4.660 -0.000 0.000 0.183 264 W C 0.542 176.662 176.519 -0.665 0.000 1.511 264 W CA -0.138 56.922 57.345 -0.475 0.000 2.181 264 W CB 0.281 29.465 29.460 -0.460 0.000 0.906 264 W HN 0.042 nan 8.180 nan 0.000 0.985 265 F N 0.339 120.388 119.950 0.165 0.000 2.593 265 F HA 0.663 5.190 4.527 -0.000 0.000 0.320 265 F C 0.148 175.931 175.800 -0.030 0.000 1.060 265 F CA -1.042 56.980 58.000 0.037 0.000 0.940 265 F CB 1.778 40.797 39.000 0.032 0.000 1.268 265 F HN -0.497 nan 8.300 nan 0.000 0.475 266 T N 2.397 117.034 114.554 0.138 0.000 2.916 266 T HA 0.527 4.877 4.350 -0.000 0.000 0.298 266 T C -3.028 171.638 174.700 -0.057 0.000 1.031 266 T CA -2.285 59.824 62.100 0.015 0.000 0.993 266 T CB 1.686 70.533 68.868 -0.035 0.000 1.045 266 T HN 0.127 nan 8.240 nan 0.000 0.454 267 P HA 0.415 nan 4.420 nan 0.000 0.268 267 P C -0.562 176.634 177.300 -0.173 0.000 1.204 267 P CA 0.047 63.096 63.100 -0.084 0.000 0.768 267 P CB 0.570 32.254 31.700 -0.026 0.000 0.842 268 G N 2.527 111.202 108.800 -0.208 0.000 2.662 268 G HA2 0.621 4.581 3.960 -0.000 0.000 0.302 268 G HA3 0.621 4.581 3.960 -0.000 0.000 0.302 268 G C -1.557 173.405 174.900 0.103 0.000 1.389 268 G CA -0.637 44.303 45.100 -0.266 0.000 0.998 268 G HN 0.340 nan 8.290 nan 0.000 0.502 269 L N 1.912 123.263 121.223 0.213 0.000 2.317 269 L HA 0.636 4.976 4.340 -0.000 0.000 0.281 269 L C -0.407 176.505 176.870 0.069 0.000 1.024 269 L CA -0.796 54.059 54.840 0.026 0.000 0.810 269 L CB 1.738 43.701 42.059 -0.160 0.000 1.240 269 L HN 0.313 nan 8.230 nan 0.000 0.427 270 I N 0.960 121.441 120.570 -0.148 0.000 2.533 270 I HA 0.304 4.474 4.170 -0.000 0.000 0.290 270 I C -0.995 174.921 176.117 -0.336 0.000 1.056 270 I CA -0.480 60.722 61.300 -0.162 0.000 1.057 270 I CB 2.367 40.225 38.000 -0.237 0.000 1.240 270 I HN 0.515 nan 8.210 nan 0.000 0.423 271 W N 5.337 126.503 121.300 -0.222 0.000 2.288 271 W HA 0.358 5.018 4.660 -0.000 0.000 0.325 271 W C 0.099 176.493 176.519 -0.209 0.000 1.019 271 W CA -0.422 56.834 57.345 -0.148 0.000 1.403 271 W CB 0.725 30.134 29.460 -0.086 0.000 1.226 271 W HN 0.429 nan 8.180 nan 0.000 0.391 272 H N 0.936 120.070 119.070 0.107 0.000 2.629 272 H HA -0.043 4.513 4.556 -0.000 0.000 0.357 272 H C 1.423 176.791 175.328 0.066 0.000 1.121 272 H CA 0.317 56.399 56.048 0.057 0.000 1.406 272 H CB 1.722 31.483 29.762 -0.002 0.000 1.456 272 H HN 0.299 nan 8.280 nan 0.000 0.579 273 S N 2.003 117.800 115.700 0.162 0.000 2.402 273 S HA -0.187 4.283 4.470 -0.000 0.000 0.233 273 S C 0.928 175.575 174.600 0.077 0.000 1.030 273 S CA 1.401 59.658 58.200 0.095 0.000 1.003 273 S CB -0.479 62.758 63.200 0.063 0.000 0.813 273 S HN 0.802 nan 8.310 nan 0.000 0.477 274 N N 0.155 118.901 118.700 0.077 0.000 3.259 274 N HA 0.100 4.840 4.740 -0.000 0.000 0.308 274 N C -0.474 175.052 175.510 0.027 0.000 1.334 274 N CA 0.130 53.195 53.050 0.025 0.000 1.202 274 N CB 0.185 38.656 38.487 -0.027 0.000 1.485 274 N HN 0.180 nan 8.380 nan 0.000 0.549 275 E N -0.527 119.706 120.200 0.055 0.000 3.449 275 E HA -0.240 4.110 4.350 -0.000 0.000 0.289 275 E C -0.185 176.446 176.600 0.052 0.000 0.870 275 E CA 0.923 57.355 56.400 0.054 0.000 0.946 275 E CB -1.048 28.664 29.700 0.020 0.000 1.476 275 E HN 0.713 nan 8.360 nan 0.000 0.466 276 I N 1.403 122.010 120.570 0.062 0.000 2.354 276 I HA 0.196 4.366 4.170 -0.000 0.000 0.292 276 I C 0.275 176.431 176.117 0.065 0.000 0.989 276 I CA -0.978 60.346 61.300 0.040 0.000 1.188 276 I CB 1.091 39.075 38.000 -0.028 0.000 1.342 276 I HN -0.099 nan 8.210 nan 0.000 0.457 277 L N 7.631 128.819 121.223 -0.059 0.000 2.260 277 L HA 0.355 4.695 4.340 -0.000 0.000 0.289 277 L C -0.091 176.706 176.870 -0.122 0.000 1.057 277 L CA 0.201 54.886 54.840 -0.259 0.000 0.811 277 L CB 0.831 42.646 42.059 -0.408 0.000 1.184 277 L HN 0.574 nan 8.230 nan 0.000 0.429 278 E N 3.945 124.105 120.200 -0.067 0.000 2.166 278 E HA 0.436 4.786 4.350 -0.000 0.000 0.275 278 E C -1.497 175.106 176.600 0.005 0.000 0.941 278 E CA -0.789 55.639 56.400 0.047 0.000 0.784 278 E CB 1.564 31.412 29.700 0.247 0.000 1.115 278 E HN 0.517 nan 8.360 nan 0.000 0.399 279 V N 4.933 124.859 119.914 0.019 0.000 2.364 279 V HA 0.234 4.354 4.120 -0.000 0.000 0.272 279 V C -0.116 176.006 176.094 0.046 0.000 1.036 279 V CA -0.298 62.013 62.300 0.018 0.000 0.880 279 V CB 1.092 32.916 31.823 0.002 0.000 0.991 279 V HN 0.702 nan 8.190 nan 0.000 0.460 280 E N 3.605 123.850 120.200 0.074 0.000 2.199 280 E HA 0.599 4.949 4.350 -0.000 0.000 0.269 280 E C 0.222 176.778 176.600 -0.074 0.000 0.899 280 E CA -0.762 55.674 56.400 0.061 0.000 0.772 280 E CB 1.843 31.707 29.700 0.272 0.000 1.155 280 E HN 0.751 nan 8.360 nan 0.000 0.408 281 G N 2.647 111.355 108.800 -0.153 0.000 2.356 281 G HA2 0.283 4.243 3.960 -0.000 0.000 0.273 281 G HA3 0.283 4.243 3.960 -0.000 0.000 0.273 281 G C -0.332 174.586 174.900 0.030 0.000 1.213 281 G CA -0.345 44.663 45.100 -0.154 0.000 0.955 281 G HN 0.325 nan 8.290 nan 0.000 0.454 282 V N 6.520 126.412 119.914 -0.036 0.000 2.383 282 V HA 0.242 4.362 4.120 -0.000 0.000 0.275 282 V C -1.660 174.497 176.094 0.105 0.000 1.036 282 V CA -1.692 60.501 62.300 -0.178 0.000 0.889 282 V CB 1.672 33.081 31.823 -0.690 0.000 0.985 282 V HN 0.635 nan 8.190 nan 0.000 0.459 283 P HA 0.034 nan 4.420 nan 0.000 0.261 283 P C 0.719 177.959 177.300 -0.099 0.000 1.183 283 P CA 0.364 63.448 63.100 -0.026 0.000 0.761 283 P CB 0.625 32.334 31.700 0.015 0.000 0.785 284 T N -0.006 114.440 114.554 -0.180 0.000 2.990 284 T HA 0.267 4.617 4.350 -0.000 0.000 0.250 284 T C 1.006 175.589 174.700 -0.195 0.000 1.041 284 T CA 0.401 62.412 62.100 -0.149 0.000 1.010 284 T CB -0.024 68.769 68.868 -0.125 0.000 1.003 284 T HN 0.402 nan 8.240 nan 0.000 0.499 285 G N -0.461 108.159 108.800 -0.300 0.000 2.990 285 G HA2 0.442 4.402 3.960 -0.000 0.000 0.208 285 G HA3 0.442 4.402 3.960 -0.000 0.000 0.208 285 G C 0.092 174.823 174.900 -0.283 0.000 1.334 285 G CA -0.072 44.820 45.100 -0.346 0.000 1.024 285 G HN 0.304 nan 8.290 nan 0.000 0.574 286 C N -0.524 118.592 119.300 -0.307 0.000 3.386 286 C HA 0.425 4.885 4.460 -0.000 0.000 0.279 286 C C 0.986 175.850 174.990 -0.209 0.000 1.508 286 C CA 0.012 58.906 59.018 -0.206 0.000 1.801 286 C CB -1.266 26.385 27.740 -0.148 0.000 2.798 286 C HN 0.682 nan 8.230 nan 0.000 0.605 287 Q N -0.292 119.302 119.800 -0.342 0.000 2.110 287 Q HA 0.235 4.575 4.340 -0.000 0.000 0.232 287 Q C 0.427 176.372 176.000 -0.092 0.000 0.810 287 Q CA 0.354 56.018 55.803 -0.231 0.000 1.083 287 Q CB -0.030 28.578 28.738 -0.217 0.000 1.193 287 Q HN 0.517 nan 8.270 nan 0.000 0.471 288 S N -1.263 114.394 115.700 -0.071 0.000 2.562 288 S HA 0.314 4.784 4.470 -0.000 0.000 0.246 288 S C 1.328 176.045 174.600 0.196 0.000 1.056 288 S CA 0.019 58.337 58.200 0.198 0.000 1.042 288 S CB 0.676 63.971 63.200 0.158 0.000 0.822 288 S HN 0.427 nan 8.310 nan 0.000 0.465 289 G N 2.129 111.005 108.800 0.127 0.000 2.422 289 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 289 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 289 G C 0.822 175.808 174.900 0.144 0.000 1.146 289 G CA 0.741 45.913 45.100 0.121 0.000 0.769 289 G HN 0.548 nan 8.290 nan 0.000 0.547 290 D N -0.117 120.375 120.400 0.154 0.000 2.319 290 D HA 0.197 4.837 4.640 -0.000 0.000 0.230 290 D C 0.162 176.566 176.300 0.173 0.000 1.094 290 D CA 0.194 54.280 54.000 0.142 0.000 0.856 290 D CB 0.831 41.706 40.800 0.124 0.000 0.915 290 D HN 0.111 nan 8.370 nan 0.000 0.517 291 V N 0.361 120.415 119.914 0.234 0.000 2.709 291 V HA 0.362 4.482 4.120 -0.000 0.000 0.308 291 V C -0.094 176.166 176.094 0.277 0.000 1.062 291 V CA -0.922 61.538 62.300 0.266 0.000 0.901 291 V CB 3.021 35.070 31.823 0.377 0.000 1.003 291 V HN -0.227 nan 8.190 nan 0.000 0.425 292 K N 3.573 124.058 120.400 0.141 0.000 2.397 292 K HA 0.744 5.064 4.320 -0.000 0.000 0.253 292 K C -1.773 174.753 176.600 -0.124 0.000 0.932 292 K CA -0.829 55.486 56.287 0.046 0.000 0.795 292 K CB 2.674 35.228 32.500 0.090 0.000 1.159 292 K HN 0.440 nan 8.250 nan 0.000 0.424 293 L N 2.097 123.121 121.223 -0.332 0.000 2.406 293 L HA 0.512 4.852 4.340 -0.000 0.000 0.272 293 L C -1.118 175.597 176.870 -0.258 0.000 0.980 293 L CA 0.137 54.742 54.840 -0.392 0.000 0.831 293 L CB 1.731 43.360 42.059 -0.715 0.000 1.253 293 L HN 0.811 nan 8.230 nan 0.000 0.406 294 S N 3.228 118.854 115.700 -0.123 0.000 2.643 294 S HA 0.900 5.370 4.470 -0.000 0.000 0.270 294 S C -1.588 173.027 174.600 0.024 0.000 1.166 294 S CA -0.741 57.450 58.200 -0.015 0.000 0.815 294 S CB 1.807 65.067 63.200 0.099 0.000 1.139 294 S HN 0.439 nan 8.310 nan 0.000 0.472 295 V N 1.587 121.534 119.914 0.055 0.000 2.569 295 V HA 0.439 4.559 4.120 -0.000 0.000 0.301 295 V C -0.840 175.299 176.094 0.075 0.000 1.044 295 V CA -0.647 61.691 62.300 0.064 0.000 0.874 295 V CB 1.466 33.302 31.823 0.022 0.000 1.002 295 V HN 0.861 nan 8.190 nan 0.000 0.424 296 L N 5.619 126.899 121.223 0.096 0.000 2.281 296 L HA 0.483 4.823 4.340 -0.000 0.000 0.285 296 L C -0.439 176.440 176.870 0.015 0.000 1.074 296 L CA -0.252 54.613 54.840 0.041 0.000 0.817 296 L CB 0.826 42.891 42.059 0.010 0.000 1.168 296 L HN 0.428 nan 8.230 nan 0.000 0.434 297 L N 5.323 126.542 121.223 -0.006 0.000 2.257 297 L HA 0.405 4.745 4.340 -0.000 0.000 0.290 297 L C -0.068 176.792 176.870 -0.017 0.000 1.044 297 L CA -0.445 54.389 54.840 -0.010 0.000 0.810 297 L CB 1.118 43.165 42.059 -0.020 0.000 1.193 297 L HN 0.474 nan 8.230 nan 0.000 0.425 298 L N 3.217 124.433 121.223 -0.012 0.000 2.371 298 L HA 0.222 4.562 4.340 -0.000 0.000 0.272 298 L C 0.832 177.700 176.870 -0.003 0.000 1.124 298 L CA -0.369 54.461 54.840 -0.018 0.000 0.816 298 L CB 0.648 42.693 42.059 -0.023 0.000 1.129 298 L HN 0.542 nan 8.230 nan 0.000 0.448 299 E N 2.011 122.210 120.200 -0.002 0.000 2.414 299 E HA 0.153 4.503 4.350 -0.000 0.000 0.263 299 E C -0.717 175.889 176.600 0.011 0.000 1.000 299 E CA 0.002 56.410 56.400 0.013 0.000 0.914 299 E CB 1.185 30.894 29.700 0.014 0.000 0.948 299 E HN 0.245 nan 8.360 nan 0.000 0.444 300 V N 0.000 119.926 119.914 0.020 0.000 2.409 300 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 300 V CA 0.000 62.310 62.300 0.017 0.000 1.235 300 V CB 0.000 31.836 31.823 0.022 0.000 1.184 300 V HN 0.000 nan 8.190 nan 0.000 0.556