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 2grk_1_B DATA FIRST_RESID 8 DATA SEQUENCE SFASScTEEE NNHHMGIDVI IKVTKQDQTP TNDKIcQSVT EVTESEDDGV DATA SEQUENCE SEEVVKGDPT TYYTVVGGGL RMNFGFTKcP QIKSISESAD GNTVNARLSS DATA SEQUENCE VSPMYGIESP AITHEEALAM INDcAVSINI KcSEEEKDSN IKTHPVLGSN DATA SEQUENCE ISHKKVRYED IIGSTIVDIK cVKDLEFSVR IGDMcKEASE LEVKDGFKYI DATA SEQUENCE DGSVSEGATD DTSLIDSTKL KAcVGSLV 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 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.435 174.600 -0.275 0.000 1.055 8 S CA 0.000 58.123 58.200 -0.129 0.000 1.107 8 S CB 0.000 63.106 63.200 -0.156 0.000 0.593 9 F N 2.194 122.161 119.950 0.028 0.000 2.660 9 F HA 0.641 5.167 4.527 -0.002 0.000 0.352 9 F C 0.604 176.465 175.800 0.101 0.000 1.257 9 F CA -0.476 57.568 58.000 0.073 0.000 1.200 9 F CB 1.441 40.472 39.000 0.052 0.000 1.473 9 F HN 0.964 nan 8.300 nan 0.000 0.561 10 A N 1.098 124.095 122.820 0.294 0.000 2.444 10 A HA 0.332 4.651 4.320 -0.001 0.000 0.287 10 A C 1.267 178.961 177.584 0.182 0.000 1.195 10 A CA 0.263 52.445 52.037 0.242 0.000 0.858 10 A CB -0.167 19.005 19.000 0.285 0.000 1.117 10 A HN 0.714 nan 8.150 nan 0.000 0.521 11 S N 1.789 117.553 115.700 0.106 0.000 2.723 11 S HA 0.136 4.605 4.470 -0.001 0.000 0.231 11 S C 0.648 175.227 174.600 -0.035 0.000 0.967 11 S CA 0.390 58.610 58.200 0.033 0.000 0.958 11 S CB -0.930 62.288 63.200 0.029 0.000 0.778 11 S HN 1.472 nan 8.310 nan 0.000 0.537 12 S N -1.252 114.420 115.700 -0.047 0.000 2.671 12 S HA 0.551 5.020 4.470 -0.001 0.000 0.277 12 S C -0.877 173.668 174.600 -0.091 0.000 1.165 12 S CA -0.966 57.186 58.200 -0.081 0.000 0.822 12 S CB 0.896 64.075 63.200 -0.034 0.000 1.150 12 S HN 0.212 nan 8.310 nan 0.000 0.479 13 c N 3.006 121.551 118.600 -0.092 0.000 2.135 13 c HA 0.715 5.284 4.570 -0.001 0.000 0.345 13 c C 0.898 174.984 174.090 -0.006 0.000 1.067 13 c CA -0.247 56.053 56.329 -0.048 0.000 1.517 13 c CB -1.517 40.940 42.510 -0.088 0.000 1.923 13 c HN 0.865 nan 8.230 nan 0.000 0.466 14 T N -0.443 114.128 114.554 0.029 0.000 2.859 14 T HA 0.470 4.819 4.350 -0.001 0.000 0.281 14 T C -0.527 174.176 174.700 0.004 0.000 1.005 14 T CA -0.452 61.656 62.100 0.012 0.000 1.025 14 T CB 1.531 70.407 68.868 0.013 0.000 0.977 14 T HN 0.517 nan 8.240 nan 0.000 0.458 15 E N 1.599 121.794 120.200 -0.008 0.000 2.324 15 E HA 0.325 4.675 4.350 -0.001 0.000 0.271 15 E C -0.342 176.238 176.600 -0.033 0.000 1.028 15 E CA 0.108 56.498 56.400 -0.017 0.000 0.890 15 E CB 0.330 30.023 29.700 -0.011 0.000 1.004 15 E HN 0.807 nan 8.360 nan 0.000 0.431 16 E N 3.215 123.378 120.200 -0.061 0.000 2.380 16 E HA 0.115 4.464 4.350 -0.001 0.000 0.281 16 E C -1.183 175.345 176.600 -0.121 0.000 0.999 16 E CA -0.784 55.568 56.400 -0.081 0.000 0.800 16 E CB 0.753 30.399 29.700 -0.090 0.000 1.228 16 E HN 0.674 nan 8.360 nan 0.000 0.436 17 E N 2.487 122.633 120.200 -0.090 0.000 2.398 17 E HA 0.048 4.397 4.350 -0.001 0.000 0.263 17 E C -0.031 176.490 176.600 -0.131 0.000 1.046 17 E CA 0.223 56.574 56.400 -0.081 0.000 0.908 17 E CB 0.257 29.933 29.700 -0.039 0.000 0.963 17 E HN 0.678 nan 8.360 nan 0.000 0.431 18 N N 1.427 120.068 118.700 -0.099 0.000 2.666 18 N HA -0.323 4.416 4.740 -0.001 0.000 0.249 18 N C -1.262 174.113 175.510 -0.226 0.000 1.063 18 N CA 1.302 54.316 53.050 -0.059 0.000 0.750 18 N CB -1.314 37.206 38.487 0.055 0.000 0.992 18 N HN 0.618 nan 8.380 nan 0.000 0.542 19 N N 0.535 118.933 118.700 -0.504 0.000 2.483 19 N HA 0.197 4.936 4.740 -0.001 0.000 0.267 19 N C -1.678 173.453 175.510 -0.632 0.000 0.998 19 N CA -0.350 52.454 53.050 -0.410 0.000 0.918 19 N CB 0.710 39.034 38.487 -0.271 0.000 1.215 19 N HN 0.350 nan 8.380 nan 0.000 0.500 20 H N 1.783 120.754 119.070 -0.165 0.000 2.717 20 H HA 0.241 4.796 4.556 -0.001 0.000 0.366 20 H C -0.556 174.640 175.328 -0.221 0.000 1.132 20 H CA -0.428 55.532 56.048 -0.147 0.000 1.180 20 H CB 1.607 31.306 29.762 -0.105 0.000 1.678 20 H HN 0.477 nan 8.280 nan 0.000 0.537 21 H N 3.262 122.371 119.070 0.066 0.000 2.821 21 H HA 0.128 4.684 4.556 -0.001 0.000 0.262 21 H C 0.179 175.515 175.328 0.014 0.000 1.402 21 H CA -0.460 55.598 56.048 0.017 0.000 1.293 21 H CB 0.325 30.089 29.762 0.004 0.000 1.533 21 H HN 0.315 nan 8.280 nan 0.000 0.528 22 M N 1.836 121.480 119.600 0.075 0.000 2.217 22 M HA 0.268 4.747 4.480 -0.001 0.000 0.354 22 M C 1.049 177.369 176.300 0.033 0.000 1.225 22 M CA -0.218 55.098 55.300 0.027 0.000 1.137 22 M CB 0.957 33.549 32.600 -0.013 0.000 1.576 22 M HN 0.566 nan 8.290 nan 0.000 0.461 23 G N 2.541 111.347 108.800 0.010 0.000 2.694 23 G HA2 0.824 4.783 3.960 -0.001 0.000 0.290 23 G HA3 0.824 4.783 3.960 -0.001 0.000 0.290 23 G C -1.790 173.100 174.900 -0.017 0.000 1.386 23 G CA -0.608 44.493 45.100 0.002 0.000 0.872 23 G HN 0.707 nan 8.290 nan 0.000 0.475 24 I N -0.154 120.405 120.570 -0.019 0.000 2.730 24 I HA 0.563 4.732 4.170 -0.001 0.000 0.298 24 I C -1.811 174.296 176.117 -0.016 0.000 1.089 24 I CA -0.944 60.353 61.300 -0.004 0.000 1.041 24 I CB 2.460 40.498 38.000 0.063 0.000 1.235 24 I HN 0.417 nan 8.210 nan 0.000 0.423 25 D N 6.338 126.726 120.400 -0.020 0.000 2.696 25 D HA 0.379 5.018 4.640 -0.001 0.000 0.251 25 D C -1.717 174.617 176.300 0.057 0.000 1.188 25 D CA -0.194 53.807 54.000 0.002 0.000 0.876 25 D CB 2.613 43.391 40.800 -0.036 0.000 1.334 25 D HN 0.246 nan 8.370 nan 0.000 0.540 26 V N 5.593 125.512 119.914 0.009 0.000 2.409 26 V HA 0.480 4.600 4.120 -0.001 0.000 0.291 26 V C 0.173 176.123 176.094 -0.241 0.000 1.020 26 V CA -0.579 61.630 62.300 -0.152 0.000 0.848 26 V CB 1.712 33.479 31.823 -0.093 0.000 0.990 26 V HN 0.493 nan 8.190 nan 0.000 0.430 27 I N 6.112 126.432 120.570 -0.417 0.000 2.418 27 I HA 0.546 4.715 4.170 -0.001 0.000 0.287 27 I C -0.774 175.183 176.117 -0.267 0.000 1.008 27 I CA -0.411 60.680 61.300 -0.348 0.000 1.104 27 I CB 1.855 39.543 38.000 -0.519 0.000 1.264 27 I HN 0.510 nan 8.210 nan 0.000 0.438 28 I N 7.138 127.713 120.570 0.008 0.000 2.545 28 I HA 0.397 4.566 4.170 -0.001 0.000 0.292 28 I C -1.075 175.124 176.117 0.137 0.000 1.040 28 I CA -0.578 60.868 61.300 0.243 0.000 1.068 28 I CB 1.717 40.098 38.000 0.634 0.000 1.251 28 I HN 0.515 nan 8.210 nan 0.000 0.424 29 K N 7.462 127.921 120.400 0.097 0.000 2.483 29 K HA 0.560 4.880 4.320 -0.001 0.000 0.256 29 K C -2.004 174.629 176.600 0.056 0.000 0.961 29 K CA -0.542 55.775 56.287 0.049 0.000 0.873 29 K CB 1.639 34.139 32.500 0.000 0.000 1.107 29 K HN 0.469 nan 8.250 nan 0.000 0.432 30 V N 3.473 123.426 119.914 0.065 0.000 2.384 30 V HA 0.285 4.404 4.120 -0.001 0.000 0.287 30 V C -0.257 175.858 176.094 0.036 0.000 1.020 30 V CA -0.725 61.610 62.300 0.058 0.000 0.850 30 V CB 1.657 33.525 31.823 0.075 0.000 0.987 30 V HN 0.767 nan 8.190 nan 0.000 0.436 31 T N 5.674 120.243 114.554 0.024 0.000 2.733 31 T HA 0.368 4.717 4.350 -0.001 0.000 0.294 31 T C 0.112 174.823 174.700 0.018 0.000 0.956 31 T CA -0.538 61.568 62.100 0.010 0.000 0.987 31 T CB 0.577 69.438 68.868 -0.012 0.000 0.920 31 T HN 0.560 nan 8.240 nan 0.000 0.470 32 K N 2.280 122.691 120.400 0.019 0.000 2.120 32 K HA 0.277 4.596 4.320 -0.001 0.000 0.245 32 K C 0.729 177.338 176.600 0.014 0.000 1.024 32 K CA -0.945 55.354 56.287 0.021 0.000 0.906 32 K CB 0.476 32.988 32.500 0.019 0.000 1.051 32 K HN 0.452 nan 8.250 nan 0.000 0.491 33 Q N 1.345 121.155 119.800 0.017 0.000 2.417 33 Q HA -0.015 4.324 4.340 -0.001 0.000 0.241 33 Q C 0.475 176.479 176.000 0.008 0.000 1.008 33 Q CA 0.206 56.017 55.803 0.012 0.000 0.901 33 Q CB 0.583 29.330 28.738 0.016 0.000 1.259 33 Q HN 0.587 nan 8.270 nan 0.000 0.489 34 D N 1.019 121.422 120.400 0.005 0.000 2.097 34 D HA -0.155 4.484 4.640 -0.001 0.000 0.197 34 D C 1.652 177.955 176.300 0.004 0.000 0.984 34 D CA 1.341 55.342 54.000 0.003 0.000 0.826 34 D CB 0.153 40.953 40.800 0.001 0.000 0.973 34 D HN 0.505 nan 8.370 nan 0.000 0.460 35 Q N 0.817 120.620 119.800 0.005 0.000 2.135 35 Q HA -0.085 4.254 4.340 -0.001 0.000 0.204 35 Q C 0.816 176.819 176.000 0.006 0.000 0.981 35 Q CA 1.099 56.905 55.803 0.005 0.000 0.856 35 Q CB -0.576 28.166 28.738 0.006 0.000 0.902 35 Q HN 0.348 nan 8.270 nan 0.000 0.425 36 T N 0.759 115.318 114.554 0.008 0.000 2.849 36 T HA 0.096 4.445 4.350 -0.001 0.000 0.289 36 T C -2.301 172.403 174.700 0.008 0.000 1.010 36 T CA -1.398 60.707 62.100 0.008 0.000 1.161 36 T CB 0.191 69.065 68.868 0.011 0.000 0.989 36 T HN -0.093 nan 8.240 nan 0.000 0.523 37 P HA 0.044 nan 4.420 nan 0.000 0.269 37 P C 0.107 177.412 177.300 0.008 0.000 1.200 37 P CA -0.047 63.057 63.100 0.007 0.000 0.779 37 P CB 0.139 31.843 31.700 0.007 0.000 0.841 38 T N 3.146 117.704 114.554 0.007 0.000 2.799 38 T HA 0.206 4.555 4.350 -0.001 0.000 0.296 38 T C 0.220 174.925 174.700 0.009 0.000 0.947 38 T CA 0.298 62.402 62.100 0.008 0.000 1.141 38 T CB -0.533 68.339 68.868 0.006 0.000 0.891 38 T HN 0.358 nan 8.240 nan 0.000 0.533 39 N N 2.610 121.317 118.700 0.011 0.000 2.655 39 N HA 0.103 4.842 4.740 -0.001 0.000 0.277 39 N C -1.345 174.174 175.510 0.016 0.000 1.177 39 N CA -0.385 52.673 53.050 0.013 0.000 0.882 39 N CB 1.561 40.057 38.487 0.015 0.000 1.481 39 N HN 0.447 nan 8.380 nan 0.000 0.547 40 D N 1.862 122.271 120.400 0.015 0.000 2.538 40 D HA 0.117 4.756 4.640 -0.001 0.000 0.231 40 D C -0.369 175.941 176.300 0.018 0.000 1.229 40 D CA -0.011 53.998 54.000 0.016 0.000 0.828 40 D CB 0.859 41.666 40.800 0.012 0.000 1.035 40 D HN 0.348 nan 8.370 nan 0.000 0.495 41 K N 2.080 122.492 120.400 0.019 0.000 2.127 41 K HA 0.220 4.539 4.320 -0.001 0.000 0.261 41 K C 0.883 177.499 176.600 0.027 0.000 1.129 41 K CA -0.147 56.152 56.287 0.020 0.000 0.993 41 K CB 0.493 33.004 32.500 0.019 0.000 1.410 41 K HN 0.267 nan 8.250 nan 0.000 0.380 42 I N -2.478 118.109 120.570 0.028 0.000 2.882 42 I HA 0.033 4.202 4.170 -0.001 0.000 0.286 42 I C 0.393 176.533 176.117 0.038 0.000 1.139 42 I CA -0.822 60.500 61.300 0.036 0.000 1.379 42 I CB 0.622 38.642 38.000 0.032 0.000 1.410 42 I HN 0.585 nan 8.210 nan 0.000 0.594 43 c N 2.923 121.553 118.600 0.050 0.000 4.235 43 c HA -0.151 4.419 4.570 -0.001 0.000 0.301 43 c C 1.802 175.920 174.090 0.047 0.000 1.409 43 c CA 0.925 57.285 56.329 0.052 0.000 2.024 43 c CB -3.129 39.406 42.510 0.041 0.000 1.286 43 c HN 0.981 nan 8.230 nan 0.000 0.746 44 Q N 0.657 120.485 119.800 0.047 0.000 2.079 44 Q HA -0.077 4.262 4.340 -0.001 0.000 0.200 44 Q C 1.159 177.186 176.000 0.045 0.000 0.974 44 Q CA 1.727 57.554 55.803 0.040 0.000 0.840 44 Q CB 0.096 28.855 28.738 0.036 0.000 0.898 44 Q HN 1.004 nan 8.270 nan 0.000 0.430 45 S N -1.667 114.067 115.700 0.057 0.000 2.552 45 S HA 0.559 5.028 4.470 -0.001 0.000 0.272 45 S C -1.132 173.522 174.600 0.089 0.000 1.150 45 S CA -1.058 57.180 58.200 0.063 0.000 0.849 45 S CB 2.085 65.317 63.200 0.052 0.000 1.113 45 S HN -0.087 nan 8.310 nan 0.000 0.458 46 V N 2.382 122.356 119.914 0.099 0.000 2.524 46 V HA 0.701 4.820 4.120 -0.001 0.000 0.297 46 V C 0.062 176.242 176.094 0.144 0.000 1.035 46 V CA -0.017 62.369 62.300 0.144 0.000 0.867 46 V CB 1.575 33.489 31.823 0.152 0.000 1.004 46 V HN 1.234 nan 8.190 nan 0.000 0.426 47 T N 1.164 115.810 114.554 0.153 0.000 2.940 47 T HA 0.795 5.144 4.350 -0.001 0.000 0.288 47 T C -0.708 174.052 174.700 0.099 0.000 1.033 47 T CA -0.715 61.449 62.100 0.108 0.000 1.033 47 T CB 2.624 71.531 68.868 0.065 0.000 1.079 47 T HN 0.669 nan 8.240 nan 0.000 0.496 48 E N 1.092 121.300 120.200 0.013 0.000 2.260 48 E HA 0.563 4.912 4.350 -0.001 0.000 0.266 48 E C -1.864 174.677 176.600 -0.098 0.000 0.887 48 E CA -0.852 55.458 56.400 -0.150 0.000 0.777 48 E CB 1.949 31.578 29.700 -0.118 0.000 1.205 48 E HN 0.602 nan 8.360 nan 0.000 0.414 49 V N 2.858 122.712 119.914 -0.099 0.000 2.709 49 V HA 0.474 4.593 4.120 -0.001 0.000 0.308 49 V C -0.567 175.556 176.094 0.049 0.000 1.062 49 V CA -0.738 61.555 62.300 -0.012 0.000 0.901 49 V CB 2.243 34.065 31.823 -0.003 0.000 1.003 49 V HN 0.727 nan 8.190 nan 0.000 0.425 50 T N 4.150 118.734 114.554 0.051 0.000 2.833 50 T HA 0.626 4.975 4.350 -0.001 0.000 0.297 50 T C -0.791 173.967 174.700 0.096 0.000 1.015 50 T CA -0.519 61.631 62.100 0.083 0.000 0.963 50 T CB 0.728 69.618 68.868 0.036 0.000 0.955 50 T HN 0.785 nan 8.240 nan 0.000 0.449 51 E N 1.301 121.595 120.200 0.157 0.000 2.321 51 E HA 0.282 4.631 4.350 -0.001 0.000 0.281 51 E C -0.413 176.274 176.600 0.145 0.000 0.910 51 E CA -0.737 55.733 56.400 0.117 0.000 0.770 51 E CB 1.732 31.475 29.700 0.072 0.000 1.225 51 E HN 0.535 nan 8.360 nan 0.000 0.417 52 S N 1.879 117.634 115.700 0.090 0.000 2.582 52 S HA 0.131 4.600 4.470 -0.001 0.000 0.249 52 S C 0.194 174.832 174.600 0.064 0.000 1.072 52 S CA -0.432 57.816 58.200 0.080 0.000 1.115 52 S CB -0.565 62.668 63.200 0.054 0.000 0.790 52 S HN 0.701 nan 8.310 nan 0.000 0.459 53 E N 0.803 121.042 120.200 0.065 0.000 2.971 53 E HA -0.249 4.100 4.350 -0.001 0.000 0.278 53 E C 0.456 177.070 176.600 0.023 0.000 1.009 53 E CA 0.891 57.312 56.400 0.035 0.000 0.862 53 E CB -1.640 28.080 29.700 0.035 0.000 1.436 53 E HN 0.881 nan 8.360 nan 0.000 0.434 54 D N 0.492 120.909 120.400 0.028 0.000 2.269 54 D HA -0.108 4.531 4.640 -0.001 0.000 0.208 54 D C 0.509 176.816 176.300 0.012 0.000 0.963 54 D CA 0.839 54.851 54.000 0.021 0.000 0.864 54 D CB 0.113 40.929 40.800 0.026 0.000 0.936 54 D HN 0.173 nan 8.370 nan 0.000 0.505 55 D N 0.608 121.013 120.400 0.008 0.000 2.432 55 D HA 0.350 4.990 4.640 -0.001 0.000 0.258 55 D C 0.828 177.126 176.300 -0.003 0.000 1.146 55 D CA -0.248 53.753 54.000 0.002 0.000 1.015 55 D CB 0.620 41.419 40.800 -0.002 0.000 1.107 55 D HN 0.143 nan 8.370 nan 0.000 0.529 56 G N -0.492 108.306 108.800 -0.004 0.000 2.886 56 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.276 56 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.276 56 G C 0.995 175.890 174.900 -0.007 0.000 0.382 56 G CA 0.384 45.481 45.100 -0.006 0.000 1.168 56 G HN 0.627 nan 8.290 nan 0.000 0.205 57 V N 0.407 120.317 119.914 -0.006 0.000 1.882 57 V HA -0.285 3.834 4.120 -0.001 0.000 0.087 57 V C 1.392 177.483 176.094 -0.006 0.000 0.905 57 V CA 2.720 65.016 62.300 -0.007 0.000 1.683 57 V CB -2.131 29.687 31.823 -0.010 0.000 1.625 57 V HN 2.111 nan 8.190 nan 0.000 0.903 58 S N -0.575 115.122 115.700 -0.004 0.000 2.080 58 S HA 0.654 5.123 4.470 -0.001 0.000 0.162 58 S C -0.694 173.907 174.600 0.002 0.000 1.618 58 S CA -0.285 57.914 58.200 -0.001 0.000 1.200 58 S CB 1.415 64.614 63.200 -0.001 0.000 1.135 58 S HN 0.519 nan 8.310 nan 0.000 0.455 59 E N 1.916 122.117 120.200 0.002 0.000 2.197 59 E HA 0.504 4.853 4.350 -0.001 0.000 0.281 59 E C -0.466 176.137 176.600 0.004 0.000 0.995 59 E CA -0.046 56.356 56.400 0.004 0.000 0.808 59 E CB 0.669 30.371 29.700 0.003 0.000 1.093 59 E HN 0.531 nan 8.360 nan 0.000 0.394 60 E N 2.898 123.102 120.200 0.006 0.000 2.383 60 E HA 0.169 4.518 4.350 -0.001 0.000 0.275 60 E C 0.309 176.913 176.600 0.007 0.000 0.918 60 E CA -0.659 55.745 56.400 0.006 0.000 0.764 60 E CB 1.810 31.515 29.700 0.008 0.000 1.252 60 E HN 0.297 nan 8.360 nan 0.000 0.449 61 V N 0.570 120.487 119.914 0.006 0.000 2.407 61 V HA -0.104 4.016 4.120 -0.001 0.000 0.248 61 V C 0.835 176.933 176.094 0.007 0.000 1.055 61 V CA 1.231 63.535 62.300 0.006 0.000 1.049 61 V CB 0.048 31.874 31.823 0.005 0.000 0.662 61 V HN 0.362 nan 8.190 nan 0.000 0.455 62 V N 0.838 120.756 119.914 0.008 0.000 2.305 62 V HA 0.309 4.428 4.120 -0.001 0.000 0.275 62 V C -0.015 176.087 176.094 0.012 0.000 1.020 62 V CA -1.047 61.259 62.300 0.010 0.000 0.811 62 V CB 1.140 32.969 31.823 0.009 0.000 1.031 62 V HN 0.254 nan 8.190 nan 0.000 0.439 63 K N 2.458 122.866 120.400 0.014 0.000 2.469 63 K HA 0.403 4.722 4.320 -0.001 0.000 0.274 63 K C 0.789 177.401 176.600 0.020 0.000 0.983 63 K CA 0.541 56.839 56.287 0.018 0.000 0.974 63 K CB 0.686 33.197 32.500 0.019 0.000 0.913 63 K HN 0.868 nan 8.250 nan 0.000 0.493 64 G N 1.826 110.640 108.800 0.024 0.000 2.511 64 G HA2 0.114 4.073 3.960 -0.001 0.000 0.316 64 G HA3 0.114 4.073 3.960 -0.001 0.000 0.316 64 G C -0.900 174.018 174.900 0.030 0.000 1.210 64 G CA -0.661 44.454 45.100 0.025 0.000 0.969 64 G HN 0.658 nan 8.290 nan 0.000 0.492 65 D N 1.618 122.035 120.400 0.028 0.000 2.487 65 D HA 0.098 4.737 4.640 -0.001 0.000 0.243 65 D C -1.690 174.633 176.300 0.038 0.000 1.154 65 D CA 0.026 54.043 54.000 0.030 0.000 0.876 65 D CB 1.191 42.006 40.800 0.024 0.000 1.161 65 D HN 0.083 nan 8.370 nan 0.000 0.478 66 P HA 0.014 nan 4.420 nan 0.000 0.267 66 P C -0.553 176.771 177.300 0.041 0.000 1.205 66 P CA -0.124 63.007 63.100 0.053 0.000 0.765 66 P CB 0.651 32.380 31.700 0.049 0.000 0.828 67 T N 2.681 117.261 114.554 0.044 0.000 2.779 67 T HA 0.288 4.637 4.350 -0.001 0.000 0.280 67 T C 0.080 174.706 174.700 -0.124 0.000 0.987 67 T CA -0.197 61.847 62.100 -0.093 0.000 0.966 67 T CB 0.553 69.264 68.868 -0.263 0.000 0.933 67 T HN 0.231 nan 8.240 nan 0.000 0.442 68 T N 4.254 118.754 114.554 -0.089 0.000 2.749 68 T HA 0.372 4.721 4.350 -0.001 0.000 0.295 68 T C -0.685 173.954 174.700 -0.102 0.000 0.936 68 T CA -0.204 61.873 62.100 -0.037 0.000 1.060 68 T CB -0.095 68.794 68.868 0.035 0.000 0.904 68 T HN 0.359 nan 8.240 nan 0.000 0.500 69 Y N 1.942 122.210 120.300 -0.052 0.000 2.342 69 Y HA 0.482 5.032 4.550 -0.001 0.000 0.334 69 Y C -0.374 175.428 175.900 -0.163 0.000 1.067 69 Y CA -1.188 56.923 58.100 0.018 0.000 1.128 69 Y CB 1.013 39.478 38.460 0.010 0.000 1.200 69 Y HN 0.555 nan 8.280 nan 0.000 0.464 70 Y N 0.982 121.546 120.300 0.440 0.000 2.326 70 Y HA 0.379 4.928 4.550 -0.001 0.000 0.331 70 Y C -0.121 175.992 175.900 0.354 0.000 0.962 70 Y CA -0.984 57.347 58.100 0.384 0.000 1.167 70 Y CB 1.843 40.568 38.460 0.442 0.000 1.148 70 Y HN 0.470 nan 8.280 nan 0.000 0.463 71 T N 4.400 119.150 114.554 0.328 0.000 2.801 71 T HA 0.424 4.773 4.350 -0.001 0.000 0.306 71 T C -0.506 174.323 174.700 0.215 0.000 1.020 71 T CA -0.510 61.709 62.100 0.198 0.000 0.948 71 T CB 0.152 69.080 68.868 0.099 0.000 0.962 71 T HN 0.244 nan 8.240 nan 0.000 0.465 72 V N 4.814 124.866 119.914 0.230 0.000 2.370 72 V HA 0.382 4.501 4.120 -0.001 0.000 0.279 72 V C 0.119 176.291 176.094 0.130 0.000 1.029 72 V CA -0.762 61.668 62.300 0.216 0.000 0.870 72 V CB 1.520 33.529 31.823 0.311 0.000 0.984 72 V HN 0.597 nan 8.190 nan 0.000 0.451 73 V N 4.609 124.583 119.914 0.100 0.000 2.347 73 V HA 0.939 5.059 4.120 -0.001 0.000 0.280 73 V C 0.582 176.715 176.094 0.064 0.000 1.021 73 V CA 0.272 62.612 62.300 0.066 0.000 0.847 73 V CB 1.107 32.960 31.823 0.050 0.000 0.990 73 V HN 1.112 nan 8.190 nan 0.000 0.444 74 G N 2.460 111.295 108.800 0.058 0.000 2.411 74 G HA2 0.548 4.507 3.960 -0.001 0.000 0.295 74 G HA3 0.548 4.507 3.960 -0.001 0.000 0.295 74 G C 0.293 175.221 174.900 0.046 0.000 1.542 74 G CA 0.261 45.392 45.100 0.052 0.000 0.814 74 G HN 1.388 nan 8.290 nan 0.000 0.557 75 G N -0.981 107.841 108.800 0.037 0.000 2.296 75 G HA2 0.268 4.228 3.960 -0.001 0.000 0.282 75 G HA3 0.268 4.228 3.960 -0.001 0.000 0.282 75 G C 1.824 176.741 174.900 0.028 0.000 1.014 75 G CA 1.585 46.704 45.100 0.032 0.000 0.812 75 G HN 2.834 nan 8.290 nan 0.000 0.508 76 G N -2.323 106.492 108.800 0.025 0.000 2.148 76 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.254 76 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.254 76 G C 0.202 175.114 174.900 0.020 0.000 0.981 76 G CA 0.712 45.825 45.100 0.020 0.000 0.670 76 G HN 1.431 nan 8.290 nan 0.000 0.528 77 L N -1.105 120.133 121.223 0.026 0.000 2.354 77 L HA 0.707 5.047 4.340 -0.001 0.000 0.264 77 L C 0.432 177.313 176.870 0.018 0.000 1.008 77 L CA -1.173 53.679 54.840 0.020 0.000 0.819 77 L CB 2.085 44.161 42.059 0.029 0.000 1.339 77 L HN 0.034 nan 8.230 nan 0.000 0.420 78 R N 2.759 123.257 120.500 -0.003 0.000 2.396 78 R HA 0.477 4.816 4.340 -0.001 0.000 0.292 78 R C -1.038 175.226 176.300 -0.060 0.000 1.240 78 R CA -0.287 55.806 56.100 -0.012 0.000 1.270 78 R CB 0.928 31.218 30.300 -0.017 0.000 1.108 78 R HN 0.517 nan 8.270 nan 0.000 0.573 79 M N 2.065 121.625 119.600 -0.068 0.000 2.108 79 M HA 0.175 4.654 4.480 -0.001 0.000 0.347 79 M C -0.068 175.984 176.300 -0.414 0.000 1.326 79 M CA -0.125 55.017 55.300 -0.264 0.000 1.126 79 M CB 0.772 33.277 32.600 -0.159 0.000 1.606 79 M HN 0.310 nan 8.290 nan 0.000 0.462 80 N N 3.699 122.108 118.700 -0.485 0.000 2.400 80 N HA 0.504 5.243 4.740 -0.001 0.000 0.288 80 N C -1.999 173.220 175.510 -0.484 0.000 1.024 80 N CA -0.163 52.720 53.050 -0.279 0.000 0.894 80 N CB 1.140 39.581 38.487 -0.076 0.000 1.173 80 N HN 0.359 nan 8.380 nan 0.000 0.487 81 F N 0.360 120.444 119.950 0.222 0.000 2.518 81 F HA 0.445 4.972 4.527 -0.000 0.000 0.323 81 F C 0.926 176.772 175.800 0.076 0.000 1.129 81 F CA -0.906 57.165 58.000 0.119 0.000 0.920 81 F CB 2.144 41.291 39.000 0.245 0.000 1.160 81 F HN 0.385 nan 8.300 nan 0.000 0.440 82 G N 3.094 111.868 108.800 -0.044 0.000 2.468 82 G HA2 0.578 4.537 3.960 -0.001 0.000 0.315 82 G HA3 0.578 4.537 3.960 -0.001 0.000 0.315 82 G C -1.474 173.216 174.900 -0.350 0.000 1.203 82 G CA -0.331 44.576 45.100 -0.322 0.000 0.962 82 G HN 0.343 nan 8.290 nan 0.000 0.476 83 F N 1.337 121.233 119.950 -0.091 0.000 2.415 83 F HA 0.463 4.990 4.527 -0.001 0.000 0.348 83 F C 0.697 176.456 175.800 -0.069 0.000 1.119 83 F CA -0.627 57.366 58.000 -0.011 0.000 1.069 83 F CB 2.430 41.478 39.000 0.081 0.000 1.124 83 F HN 0.193 nan 8.300 nan 0.000 0.472 84 T N 3.978 118.588 114.554 0.093 0.000 2.912 84 T HA 0.287 4.636 4.350 -0.001 0.000 0.326 84 T C -0.411 174.332 174.700 0.071 0.000 1.080 84 T CA -1.061 61.068 62.100 0.048 0.000 1.000 84 T CB 0.409 69.278 68.868 0.001 0.000 1.008 84 T HN 0.575 nan 8.240 nan 0.000 0.473 85 K N 0.780 121.227 120.400 0.078 0.000 3.239 85 K HA -0.142 4.177 4.320 -0.001 0.000 0.270 85 K C -0.379 176.267 176.600 0.076 0.000 1.049 85 K CA 0.061 56.387 56.287 0.065 0.000 0.769 85 K CB -2.238 30.286 32.500 0.041 0.000 1.305 85 K HN 0.653 nan 8.250 nan 0.000 0.469 86 c N -0.764 117.903 118.600 0.112 0.000 2.822 86 c HA 0.559 5.129 4.570 -0.001 0.000 0.341 86 c C -1.970 172.160 174.090 0.066 0.000 1.301 86 c CA -1.645 54.754 56.329 0.116 0.000 1.706 86 c CB 1.240 43.897 42.510 0.245 0.000 2.178 86 c HN 0.236 nan 8.230 nan 0.000 0.481 87 P HA 0.138 nan 4.420 nan 0.000 0.268 87 P C -0.736 176.538 177.300 -0.044 0.000 1.205 87 P CA 0.160 63.265 63.100 0.008 0.000 0.771 87 P CB 0.324 32.026 31.700 0.003 0.000 0.858 88 Q N 2.097 121.882 119.800 -0.025 0.000 2.361 88 Q HA 0.106 4.445 4.340 -0.001 0.000 0.276 88 Q C -0.435 175.472 176.000 -0.154 0.000 1.022 88 Q CA -0.139 55.628 55.803 -0.060 0.000 0.898 88 Q CB 0.328 29.073 28.738 0.012 0.000 1.246 88 Q HN 0.286 nan 8.270 nan 0.000 0.410 89 I N 3.980 124.383 120.570 -0.278 0.000 2.396 89 I HA 0.129 4.298 4.170 -0.001 0.000 0.292 89 I C 0.406 176.359 176.117 -0.273 0.000 0.999 89 I CA 0.385 61.436 61.300 -0.415 0.000 1.310 89 I CB 1.225 38.705 38.000 -0.867 0.000 1.404 89 I HN 0.826 nan 8.210 nan 0.000 0.496 90 K N 2.494 122.771 120.400 -0.205 0.000 2.582 90 K HA 0.136 4.455 4.320 -0.001 0.000 0.204 90 K C -0.027 176.512 176.600 -0.103 0.000 1.221 90 K CA 0.033 56.249 56.287 -0.118 0.000 1.048 90 K CB 1.001 33.470 32.500 -0.051 0.000 1.011 90 K HN 0.480 nan 8.250 nan 0.000 0.597 91 S N 1.448 117.061 115.700 -0.144 0.000 2.733 91 S HA 0.548 5.017 4.470 -0.001 0.000 0.294 91 S C -1.187 173.333 174.600 -0.133 0.000 1.149 91 S CA -0.582 57.553 58.200 -0.108 0.000 1.034 91 S CB 0.553 63.700 63.200 -0.089 0.000 1.015 91 S HN 0.168 nan 8.310 nan 0.000 0.486 92 I N 4.623 125.136 120.570 -0.096 0.000 2.439 92 I HA 0.402 4.571 4.170 -0.001 0.000 0.283 92 I C -0.038 176.059 176.117 -0.034 0.000 1.023 92 I CA -0.378 60.876 61.300 -0.076 0.000 1.100 92 I CB 1.883 39.852 38.000 -0.051 0.000 1.238 92 I HN 0.658 nan 8.210 nan 0.000 0.445 93 S N 4.418 120.097 115.700 -0.035 0.000 2.634 93 S HA 0.816 5.285 4.470 -0.001 0.000 0.296 93 S C -0.840 173.760 174.600 0.000 0.000 1.104 93 S CA -0.679 57.508 58.200 -0.021 0.000 0.920 93 S CB 3.041 66.215 63.200 -0.043 0.000 1.111 93 S HN 0.669 nan 8.310 nan 0.000 0.493 94 E N -0.469 119.736 120.200 0.009 0.000 2.423 94 E HA 0.617 4.967 4.350 -0.001 0.000 0.280 94 E C -1.783 174.827 176.600 0.017 0.000 1.030 94 E CA -0.635 55.781 56.400 0.027 0.000 0.812 94 E CB 2.058 31.791 29.700 0.054 0.000 1.313 94 E HN 0.985 nan 8.360 nan 0.000 0.456 95 S N 0.596 116.310 115.700 0.022 0.000 2.550 95 S HA 0.908 5.377 4.470 -0.001 0.000 0.270 95 S C -1.562 173.050 174.600 0.020 0.000 1.145 95 S CA -0.373 57.835 58.200 0.013 0.000 0.852 95 S CB 1.711 64.912 63.200 0.001 0.000 1.119 95 S HN 0.759 nan 8.310 nan 0.000 0.465 96 A N 1.630 124.459 122.820 0.015 0.000 2.520 96 A HA 0.890 5.210 4.320 -0.001 0.000 0.298 96 A C -1.424 176.166 177.584 0.009 0.000 1.051 96 A CA -0.377 51.669 52.037 0.016 0.000 0.690 96 A CB 1.385 20.397 19.000 0.021 0.000 1.281 96 A HN 1.252 nan 8.150 nan 0.000 0.402 97 D N 0.584 120.989 120.400 0.008 0.000 2.710 97 D HA 0.502 5.141 4.640 -0.001 0.000 0.276 97 D C 0.520 176.823 176.300 0.004 0.000 1.267 97 D CA 0.132 54.134 54.000 0.004 0.000 0.772 97 D CB 0.712 41.513 40.800 0.001 0.000 1.299 97 D HN 1.888 nan 8.370 nan 0.000 0.421 98 G N 0.910 109.711 108.800 0.002 0.000 2.568 98 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.334 98 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.334 98 G C 0.381 175.283 174.900 0.004 0.000 1.348 98 G CA 0.569 45.669 45.100 0.001 0.000 0.949 98 G HN 0.668 nan 8.290 nan 0.000 0.532 99 N N 1.426 120.128 118.700 0.003 0.000 2.295 99 N HA 0.168 4.907 4.740 -0.001 0.000 0.221 99 N C 0.694 176.209 175.510 0.009 0.000 1.129 99 N CA 1.024 54.078 53.050 0.006 0.000 0.836 99 N CB 0.192 38.681 38.487 0.004 0.000 1.040 99 N HN 0.901 nan 8.380 nan 0.000 0.494 100 T N -2.190 112.369 114.554 0.009 0.000 2.859 100 T HA 0.583 4.933 4.350 -0.001 0.000 0.281 100 T C -0.107 174.606 174.700 0.021 0.000 1.005 100 T CA -0.632 61.476 62.100 0.013 0.000 1.025 100 T CB 2.277 71.148 68.868 0.005 0.000 0.977 100 T HN -0.253 nan 8.240 nan 0.000 0.458 101 V N 3.379 123.313 119.914 0.033 0.000 2.443 101 V HA 0.448 4.567 4.120 -0.001 0.000 0.293 101 V C -0.773 175.357 176.094 0.059 0.000 1.021 101 V CA -1.030 61.297 62.300 0.046 0.000 0.848 101 V CB 1.234 33.090 31.823 0.055 0.000 0.998 101 V HN 0.957 nan 8.190 nan 0.000 0.424 102 N N 2.971 121.700 118.700 0.048 0.000 2.443 102 N HA 0.852 5.591 4.740 -0.001 0.000 0.295 102 N C -0.463 175.084 175.510 0.062 0.000 1.076 102 N CA -0.326 52.752 53.050 0.047 0.000 0.919 102 N CB 2.095 40.589 38.487 0.012 0.000 1.176 102 N HN 0.925 nan 8.380 nan 0.000 0.487 103 A N 1.273 124.139 122.820 0.077 0.000 2.488 103 A HA 0.715 5.034 4.320 -0.001 0.000 0.298 103 A C -1.004 176.577 177.584 -0.005 0.000 1.044 103 A CA -0.699 51.382 52.037 0.073 0.000 0.693 103 A CB 1.308 20.420 19.000 0.187 0.000 1.272 103 A HN 0.658 nan 8.150 nan 0.000 0.402 104 R N 2.304 122.776 120.500 -0.047 0.000 2.513 104 R HA 0.706 5.046 4.340 -0.001 0.000 0.301 104 R C -1.839 174.386 176.300 -0.125 0.000 0.968 104 R CA -0.516 55.527 56.100 -0.095 0.000 0.872 104 R CB 1.056 31.312 30.300 -0.074 0.000 1.177 104 R HN 0.703 nan 8.270 nan 0.000 0.444 105 L N 3.711 124.831 121.223 -0.172 0.000 2.356 105 L HA 0.572 4.911 4.340 -0.001 0.000 0.277 105 L C -0.676 176.102 176.870 -0.154 0.000 0.996 105 L CA -0.561 54.157 54.840 -0.202 0.000 0.822 105 L CB 1.998 43.891 42.059 -0.277 0.000 1.256 105 L HN 0.910 nan 8.230 nan 0.000 0.413 106 S N 0.648 116.239 115.700 -0.181 0.000 2.615 106 S HA 0.533 5.002 4.470 -0.001 0.000 0.268 106 S C -0.717 173.792 174.600 -0.152 0.000 1.146 106 S CA -0.836 57.279 58.200 -0.142 0.000 0.818 106 S CB 1.591 64.751 63.200 -0.067 0.000 1.111 106 S HN 0.529 nan 8.310 nan 0.000 0.465 107 S N 0.189 115.824 115.700 -0.109 0.000 2.617 107 S HA 0.738 5.207 4.470 -0.001 0.000 0.269 107 S C -0.200 174.387 174.600 -0.022 0.000 1.292 107 S CA -0.701 57.455 58.200 -0.072 0.000 1.010 107 S CB 0.883 64.056 63.200 -0.045 0.000 0.944 107 S HN 0.979 nan 8.310 nan 0.000 0.536 108 V N 1.601 121.519 119.914 0.008 0.000 2.483 108 V HA 0.457 4.577 4.120 -0.001 0.000 0.295 108 V C 0.655 176.801 176.094 0.086 0.000 1.035 108 V CA -0.823 61.516 62.300 0.064 0.000 0.896 108 V CB 1.562 33.424 31.823 0.065 0.000 0.986 108 V HN 1.040 nan 8.190 nan 0.000 0.447 109 S N 5.247 121.039 115.700 0.153 0.000 2.552 109 S HA 0.096 4.565 4.470 -0.001 0.000 0.289 109 S C -1.332 173.233 174.600 -0.059 0.000 1.304 109 S CA -0.542 57.665 58.200 0.012 0.000 1.063 109 S CB 0.889 64.030 63.200 -0.098 0.000 0.848 109 S HN 0.641 nan 8.310 nan 0.000 0.499 110 P HA -0.117 nan 4.420 nan 0.000 0.218 110 P C 1.475 178.670 177.300 -0.175 0.000 1.149 110 P CA 0.992 63.963 63.100 -0.215 0.000 0.817 110 P CB -0.060 31.343 31.700 -0.495 0.000 0.785 111 M N -2.205 117.228 119.600 -0.277 0.000 2.706 111 M HA -0.150 4.329 4.480 -0.001 0.000 0.253 111 M C 0.131 176.247 176.300 -0.308 0.000 1.063 111 M CA 1.740 56.843 55.300 -0.328 0.000 1.067 111 M CB -0.264 32.055 32.600 -0.467 0.000 1.423 111 M HN -0.062 nan 8.290 nan 0.000 0.530 112 Y N -1.051 119.227 120.300 -0.036 0.000 2.557 112 Y HA 0.420 4.969 4.550 -0.001 0.000 0.247 112 Y C 1.492 177.393 175.900 0.002 0.000 1.164 112 Y CA -0.027 58.066 58.100 -0.012 0.000 1.218 112 Y CB 0.610 39.063 38.460 -0.012 0.000 1.210 112 Y HN 0.403 nan 8.280 nan 0.000 0.529 113 G N -0.069 108.797 108.800 0.109 0.000 2.612 113 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.200 113 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.200 113 G C -0.148 174.773 174.900 0.035 0.000 1.053 113 G CA -0.417 44.723 45.100 0.066 0.000 0.707 113 G HN 0.016 nan 8.290 nan 0.000 0.497 114 I N 2.300 122.898 120.570 0.046 0.000 2.428 114 I HA 0.486 4.656 4.170 -0.001 0.000 0.289 114 I C 0.507 176.635 176.117 0.018 0.000 1.019 114 I CA -0.740 60.575 61.300 0.025 0.000 1.351 114 I CB 1.628 39.647 38.000 0.031 0.000 1.412 114 I HN 0.348 nan 8.210 nan 0.000 0.513 115 E N 4.247 124.462 120.200 0.025 0.000 2.283 115 E HA 0.543 4.893 4.350 -0.001 0.000 0.278 115 E C -0.871 175.842 176.600 0.189 0.000 1.027 115 E CA -0.364 56.087 56.400 0.085 0.000 0.843 115 E CB 0.797 30.529 29.700 0.053 0.000 1.062 115 E HN 0.696 nan 8.360 nan 0.000 0.401 116 S N 3.135 119.028 115.700 0.322 0.000 2.570 116 S HA 0.550 5.020 4.470 -0.001 0.000 0.286 116 S C -2.827 172.030 174.600 0.428 0.000 1.099 116 S CA -1.863 56.568 58.200 0.385 0.000 0.913 116 S CB 1.768 65.116 63.200 0.248 0.000 1.085 116 S HN 0.293 nan 8.310 nan 0.000 0.480 117 P HA 0.286 nan 4.420 nan 0.000 0.266 117 P C -0.884 176.233 177.300 -0.305 0.000 1.215 117 P CA 0.129 62.980 63.100 -0.415 0.000 0.763 117 P CB 0.264 31.797 31.700 -0.277 0.000 0.806 118 A N 5.511 128.037 122.820 -0.490 0.000 2.310 118 A HA 0.522 4.841 4.320 -0.001 0.000 0.300 118 A C 0.427 177.792 177.584 -0.366 0.000 1.269 118 A CA -0.466 51.200 52.037 -0.617 0.000 0.909 118 A CB -0.656 17.893 19.000 -0.753 0.000 1.144 118 A HN 0.601 nan 8.150 nan 0.000 0.540 119 I N 0.106 120.529 120.570 -0.245 0.000 3.100 119 I HA 0.762 4.931 4.170 -0.001 0.000 0.312 119 I C 0.596 176.665 176.117 -0.080 0.000 1.063 119 I CA -0.823 60.389 61.300 -0.147 0.000 1.031 119 I CB 1.736 39.676 38.000 -0.099 0.000 1.243 119 I HN 0.509 nan 8.210 nan 0.000 0.483 120 T N -2.147 112.386 114.554 -0.034 0.000 2.816 120 T HA 0.109 4.458 4.350 -0.001 0.000 0.282 120 T C 1.087 175.867 174.700 0.134 0.000 0.993 120 T CA -0.021 62.098 62.100 0.031 0.000 0.994 120 T CB 0.634 69.515 68.868 0.022 0.000 1.025 120 T HN 0.768 nan 8.240 nan 0.000 0.529 121 H N 0.513 119.644 119.070 0.102 0.000 2.387 121 H HA -0.087 4.468 4.556 -0.001 0.000 0.299 121 H C 1.746 177.092 175.328 0.030 0.000 1.099 121 H CA 2.416 58.533 56.048 0.114 0.000 1.315 121 H CB 0.071 29.892 29.762 0.098 0.000 1.380 121 H HN 0.838 nan 8.280 nan 0.000 0.513 122 E N 0.292 120.630 120.200 0.229 0.000 2.033 122 E HA -0.111 4.238 4.350 -0.001 0.000 0.189 122 E C 2.208 178.844 176.600 0.060 0.000 0.979 122 E CA 0.651 57.136 56.400 0.141 0.000 0.802 122 E CB 0.015 29.762 29.700 0.078 0.000 0.763 122 E HN 0.617 nan 8.360 nan 0.000 0.449 123 E N 0.847 121.068 120.200 0.035 0.000 2.219 123 E HA -0.221 4.128 4.350 -0.001 0.000 0.198 123 E C 1.923 178.516 176.600 -0.011 0.000 0.998 123 E CA 0.853 57.255 56.400 0.004 0.000 0.818 123 E CB -0.113 29.579 29.700 -0.012 0.000 0.741 123 E HN 0.205 nan 8.360 nan 0.000 0.477 124 A N 1.179 123.987 122.820 -0.021 0.000 1.841 124 A HA -0.113 4.206 4.320 -0.001 0.000 0.214 124 A C 2.147 179.681 177.584 -0.084 0.000 1.195 124 A CA 0.905 52.897 52.037 -0.075 0.000 0.611 124 A CB -0.615 18.292 19.000 -0.155 0.000 0.835 124 A HN 0.147 nan 8.150 nan 0.000 0.443 125 L N -0.572 120.606 121.223 -0.077 0.000 2.362 125 L HA -0.144 4.195 4.340 -0.001 0.000 0.219 125 L C 2.914 179.769 176.870 -0.024 0.000 1.134 125 L CA 0.618 55.426 54.840 -0.053 0.000 0.807 125 L CB -0.387 41.671 42.059 -0.003 0.000 0.927 125 L HN 0.487 nan 8.230 nan 0.000 0.447 126 A N -0.091 122.723 122.820 -0.011 0.000 1.872 126 A HA -0.217 4.103 4.320 -0.001 0.000 0.214 126 A C 2.314 179.892 177.584 -0.010 0.000 1.187 126 A CA 1.485 53.520 52.037 -0.004 0.000 0.614 126 A CB -0.439 18.563 19.000 0.002 0.000 0.826 126 A HN 0.341 nan 8.150 nan 0.000 0.442 127 M N 0.158 119.749 119.600 -0.015 0.000 2.132 127 M HA -0.050 4.430 4.480 -0.001 0.000 0.263 127 M C 1.794 178.084 176.300 -0.016 0.000 1.065 127 M CA 1.746 57.040 55.300 -0.010 0.000 1.122 127 M CB -0.737 31.857 32.600 -0.010 0.000 1.365 127 M HN 0.416 nan 8.290 nan 0.000 0.411 128 I N 0.925 121.474 120.570 -0.035 0.000 2.657 128 I HA -0.287 3.882 4.170 -0.001 0.000 0.261 128 I C 1.855 177.946 176.117 -0.044 0.000 1.212 128 I CA 1.181 62.453 61.300 -0.048 0.000 1.453 128 I CB -0.730 37.227 38.000 -0.073 0.000 1.092 128 I HN 0.477 nan 8.210 nan 0.000 0.452 129 N N 0.576 119.258 118.700 -0.030 0.000 2.278 129 N HA -0.125 4.614 4.740 -0.001 0.000 0.181 129 N C 1.445 176.947 175.510 -0.014 0.000 1.023 129 N CA 1.023 54.059 53.050 -0.024 0.000 0.862 129 N CB 0.213 38.691 38.487 -0.015 0.000 1.003 129 N HN 0.083 nan 8.380 nan 0.000 0.431 130 D N -0.085 120.312 120.400 -0.004 0.000 2.194 130 D HA -0.048 4.591 4.640 -0.001 0.000 0.204 130 D C 0.316 176.623 176.300 0.012 0.000 0.964 130 D CA 0.248 54.251 54.000 0.005 0.000 0.846 130 D CB -0.720 40.086 40.800 0.010 0.000 0.962 130 D HN 0.264 nan 8.370 nan 0.000 0.490 131 c N 1.627 120.236 118.600 0.016 0.000 2.596 131 c HA 0.447 5.017 4.570 -0.001 0.000 0.414 131 c C 0.382 174.487 174.090 0.025 0.000 1.396 131 c CA -0.306 56.045 56.329 0.037 0.000 1.698 131 c CB -1.471 41.068 42.510 0.048 0.000 2.572 131 c HN 0.298 nan 8.230 nan 0.000 0.604 132 A N 5.223 128.061 122.820 0.029 0.000 2.515 132 A HA 0.786 5.105 4.320 -0.001 0.000 0.298 132 A C -1.237 176.324 177.584 -0.039 0.000 1.059 132 A CA -0.437 51.600 52.037 -0.001 0.000 0.698 132 A CB 1.653 20.646 19.000 -0.012 0.000 1.289 132 A HN 1.036 nan 8.150 nan 0.000 0.404 133 V N 1.860 121.736 119.914 -0.063 0.000 2.577 133 V HA 0.657 4.776 4.120 -0.001 0.000 0.303 133 V C 0.070 176.093 176.094 -0.119 0.000 1.042 133 V CA -0.358 61.840 62.300 -0.169 0.000 0.872 133 V CB 1.744 33.485 31.823 -0.136 0.000 0.998 133 V HN 1.163 nan 8.190 nan 0.000 0.423 134 S N 5.226 120.828 115.700 -0.163 0.000 2.537 134 S HA 0.864 5.333 4.470 -0.001 0.000 0.301 134 S C -0.783 173.739 174.600 -0.129 0.000 1.092 134 S CA -0.717 57.409 58.200 -0.123 0.000 1.048 134 S CB 1.822 64.975 63.200 -0.078 0.000 1.053 134 S HN 0.512 nan 8.310 nan 0.000 0.501 135 I N 2.405 122.867 120.570 -0.179 0.000 2.530 135 I HA 0.492 4.661 4.170 -0.001 0.000 0.297 135 I C -0.448 175.553 176.117 -0.194 0.000 1.011 135 I CA -0.636 60.521 61.300 -0.239 0.000 1.107 135 I CB 1.877 39.667 38.000 -0.350 0.000 1.285 135 I HN 0.681 nan 8.210 nan 0.000 0.436 136 N N 7.409 125.967 118.700 -0.237 0.000 2.571 136 N HA 0.429 5.168 4.740 -0.001 0.000 0.286 136 N C -1.622 173.767 175.510 -0.201 0.000 1.138 136 N CA -0.293 52.657 53.050 -0.168 0.000 0.859 136 N CB 1.507 39.928 38.487 -0.109 0.000 1.414 136 N HN 0.497 nan 8.380 nan 0.000 0.529 137 I N 3.246 123.729 120.570 -0.145 0.000 2.354 137 I HA 0.347 4.516 4.170 -0.001 0.000 0.286 137 I C 0.225 176.303 176.117 -0.065 0.000 1.007 137 I CA -0.516 60.716 61.300 -0.114 0.000 1.167 137 I CB 1.278 39.233 38.000 -0.075 0.000 1.320 137 I HN 0.140 nan 8.210 nan 0.000 0.458 138 K N 4.242 124.608 120.400 -0.057 0.000 2.313 138 K HA 0.670 4.989 4.320 -0.001 0.000 0.235 138 K C -0.979 175.610 176.600 -0.019 0.000 1.035 138 K CA -0.759 55.507 56.287 -0.035 0.000 0.868 138 K CB 1.899 34.376 32.500 -0.039 0.000 1.232 138 K HN 0.479 nan 8.250 nan 0.000 0.459 139 c N 0.637 119.231 118.600 -0.011 0.000 2.466 139 c HA 0.461 5.030 4.570 -0.001 0.000 0.379 139 c C 0.625 174.714 174.090 -0.002 0.000 1.251 139 c CA -0.482 55.846 56.329 -0.002 0.000 2.263 139 c CB 0.651 43.161 42.510 0.000 0.000 2.511 139 c HN 0.651 nan 8.230 nan 0.000 0.573 140 S N 0.406 116.108 115.700 0.004 0.000 2.526 140 S HA 0.426 4.895 4.470 -0.001 0.000 0.293 140 S C 0.209 174.813 174.600 0.008 0.000 1.092 140 S CA -0.357 57.846 58.200 0.006 0.000 0.980 140 S CB 0.961 64.168 63.200 0.012 0.000 1.048 140 S HN 0.761 nan 8.310 nan 0.000 0.483 141 E N 1.456 121.660 120.200 0.007 0.000 2.526 141 E HA 0.151 4.501 4.350 -0.001 0.000 0.208 141 E C -0.187 176.418 176.600 0.009 0.000 0.997 141 E CA -0.090 56.314 56.400 0.007 0.000 0.961 141 E CB 0.138 29.841 29.700 0.004 0.000 1.030 141 E HN 0.697 nan 8.360 nan 0.000 0.483 142 E N 2.209 122.415 120.200 0.011 0.000 2.694 142 E HA -0.129 4.220 4.350 -0.001 0.000 0.250 142 E C -0.600 176.008 176.600 0.013 0.000 0.963 142 E CA 0.660 57.067 56.400 0.013 0.000 0.949 142 E CB 0.086 29.796 29.700 0.017 0.000 0.911 142 E HN -0.029 nan 8.360 nan 0.000 0.500 143 E N 5.026 125.233 120.200 0.012 0.000 2.489 143 E HA 0.251 4.601 4.350 -0.001 0.000 0.232 143 E C -0.827 175.780 176.600 0.012 0.000 0.990 143 E CA -0.532 55.875 56.400 0.011 0.000 0.768 143 E CB 0.533 30.239 29.700 0.009 0.000 1.270 143 E HN 0.456 nan 8.360 nan 0.000 0.423 144 K N 0.463 120.872 120.400 0.014 0.000 2.568 144 K HA 0.375 4.695 4.320 -0.001 0.000 0.273 144 K C -1.286 175.323 176.600 0.016 0.000 0.951 144 K CA -1.068 55.228 56.287 0.014 0.000 0.854 144 K CB 1.258 33.768 32.500 0.016 0.000 1.424 144 K HN -0.144 nan 8.250 nan 0.000 0.427 145 D N 1.502 121.911 120.400 0.015 0.000 2.472 145 D HA 0.041 4.681 4.640 -0.001 0.000 0.237 145 D C -0.306 176.005 176.300 0.018 0.000 1.141 145 D CA 0.371 54.380 54.000 0.015 0.000 0.875 145 D CB 0.740 41.548 40.800 0.013 0.000 1.192 145 D HN 0.466 nan 8.370 nan 0.000 0.450 146 S N 1.459 117.170 115.700 0.018 0.000 2.549 146 S HA -0.014 4.455 4.470 -0.001 0.000 0.286 146 S C 0.578 175.191 174.600 0.022 0.000 1.314 146 S CA -0.345 57.868 58.200 0.022 0.000 1.062 146 S CB 0.161 63.373 63.200 0.020 0.000 0.865 146 S HN 0.403 nan 8.310 nan 0.000 0.498 147 N N 2.922 121.637 118.700 0.026 0.000 2.816 147 N HA 0.345 5.084 4.740 -0.001 0.000 0.236 147 N C -0.983 174.542 175.510 0.026 0.000 1.076 147 N CA -0.238 52.828 53.050 0.026 0.000 0.902 147 N CB 0.172 38.676 38.487 0.029 0.000 1.149 147 N HN 0.487 nan 8.380 nan 0.000 0.506 148 I N 1.544 122.127 120.570 0.022 0.000 2.577 148 I HA 0.283 4.452 4.170 -0.001 0.000 0.305 148 I C 0.349 176.479 176.117 0.021 0.000 0.986 148 I CA -0.831 60.481 61.300 0.020 0.000 1.189 148 I CB 1.668 39.675 38.000 0.013 0.000 1.355 148 I HN 0.173 nan 8.210 nan 0.000 0.476 149 K N 1.655 122.069 120.400 0.024 0.000 2.098 149 K HA 0.240 4.559 4.320 -0.001 0.000 0.261 149 K C 1.000 177.622 176.600 0.037 0.000 0.987 149 K CA -0.269 56.039 56.287 0.035 0.000 0.916 149 K CB 1.469 33.999 32.500 0.049 0.000 1.039 149 K HN 0.743 nan 8.250 nan 0.000 0.455 150 T N -2.126 112.457 114.554 0.049 0.000 2.904 150 T HA -0.130 4.220 4.350 -0.001 0.000 0.267 150 T C 0.921 175.667 174.700 0.078 0.000 1.059 150 T CA 0.772 62.901 62.100 0.049 0.000 1.137 150 T CB -0.280 68.614 68.868 0.044 0.000 0.879 150 T HN 0.558 nan 8.240 nan 0.000 0.467 151 H N 3.699 122.758 119.070 -0.017 0.000 2.815 151 H HA 0.389 4.944 4.556 -0.001 0.000 0.350 151 H C -2.481 172.826 175.328 -0.035 0.000 1.080 151 H CA -2.165 53.868 56.048 -0.024 0.000 1.433 151 H CB 0.119 29.866 29.762 -0.024 0.000 1.432 151 H HN 0.126 nan 8.280 nan 0.000 0.592 152 P HA 0.008 nan 4.420 nan 0.000 0.269 152 P C -0.708 176.323 177.300 -0.448 0.000 1.215 152 P CA -0.369 62.487 63.100 -0.407 0.000 0.780 152 P CB 0.566 32.040 31.700 -0.377 0.000 0.898 153 V N 3.239 122.997 119.914 -0.260 0.000 2.529 153 V HA -0.002 4.117 4.120 -0.001 0.000 0.292 153 V C 0.563 176.503 176.094 -0.257 0.000 1.028 153 V CA 0.142 62.319 62.300 -0.204 0.000 1.074 153 V CB -0.349 31.391 31.823 -0.138 0.000 0.958 153 V HN 0.313 nan 8.190 nan 0.000 0.481 154 L N 5.318 126.414 121.223 -0.213 0.000 2.265 154 L HA 0.535 4.874 4.340 -0.001 0.000 0.288 154 L C 1.043 177.787 176.870 -0.209 0.000 1.058 154 L CA 0.081 54.768 54.840 -0.255 0.000 0.809 154 L CB 0.764 42.759 42.059 -0.107 0.000 1.179 154 L HN 0.795 nan 8.230 nan 0.000 0.429 155 G N 0.779 109.393 108.800 -0.309 0.000 2.557 155 G HA2 0.287 4.246 3.960 -0.001 0.000 0.292 155 G HA3 0.287 4.246 3.960 -0.001 0.000 0.292 155 G C 0.752 175.684 174.900 0.053 0.000 1.237 155 G CA 0.022 45.050 45.100 -0.119 0.000 0.978 155 G HN 0.664 nan 8.290 nan 0.000 0.498 156 S N -1.499 114.239 115.700 0.063 0.000 2.535 156 S HA 0.013 4.482 4.470 -0.001 0.000 0.214 156 S C 1.090 175.751 174.600 0.101 0.000 0.980 156 S CA 0.657 58.900 58.200 0.073 0.000 0.907 156 S CB -0.227 62.978 63.200 0.009 0.000 0.790 156 S HN 0.872 nan 8.310 nan 0.000 0.510 157 N N 0.662 119.460 118.700 0.163 0.000 2.727 157 N HA -0.160 4.579 4.740 -0.001 0.000 0.249 157 N C -1.122 174.409 175.510 0.035 0.000 1.048 157 N CA 0.767 53.900 53.050 0.138 0.000 0.714 157 N CB -1.825 36.725 38.487 0.106 0.000 0.959 157 N HN 0.743 nan 8.380 nan 0.000 0.544 158 I N 0.628 121.200 120.570 0.003 0.000 2.476 158 I HA 0.201 4.370 4.170 -0.001 0.000 0.281 158 I C 0.258 176.320 176.117 -0.092 0.000 1.040 158 I CA -0.830 60.433 61.300 -0.062 0.000 1.094 158 I CB 1.561 39.497 38.000 -0.106 0.000 1.219 158 I HN 0.280 nan 8.210 nan 0.000 0.450 159 S N 4.327 119.986 115.700 -0.068 0.000 2.580 159 S HA 0.263 4.732 4.470 -0.001 0.000 0.274 159 S C 0.315 174.845 174.600 -0.117 0.000 1.329 159 S CA -0.478 57.699 58.200 -0.037 0.000 1.036 159 S CB 0.756 63.955 63.200 -0.003 0.000 0.919 159 S HN 0.521 nan 8.310 nan 0.000 0.515 160 H N 2.090 121.145 119.070 -0.026 0.000 2.768 160 H HA 0.238 4.793 4.556 -0.001 0.000 0.228 160 H C 0.119 175.436 175.328 -0.018 0.000 1.812 160 H CA -0.033 55.997 56.048 -0.030 0.000 1.273 160 H CB -0.276 29.459 29.762 -0.045 0.000 1.631 160 H HN 0.532 nan 8.280 nan 0.000 0.526 161 K N 0.956 121.366 120.400 0.016 0.000 2.126 161 K HA 0.070 4.389 4.320 -0.001 0.000 0.257 161 K C 0.961 177.575 176.600 0.023 0.000 1.007 161 K CA -0.565 55.734 56.287 0.021 0.000 0.928 161 K CB 1.510 34.011 32.500 0.002 0.000 1.013 161 K HN 0.187 nan 8.250 nan 0.000 0.473 162 K N 2.621 123.040 120.400 0.031 0.000 2.989 162 K HA 0.003 4.323 4.320 -0.001 0.000 0.264 162 K C 0.047 176.666 176.600 0.033 0.000 1.228 162 K CA -0.259 56.051 56.287 0.039 0.000 1.186 162 K CB -0.810 31.711 32.500 0.036 0.000 1.409 162 K HN 0.461 nan 8.250 nan 0.000 0.271 163 V N -1.377 118.549 119.914 0.021 0.000 3.403 163 V HA 0.329 4.448 4.120 -0.001 0.000 0.305 163 V C 0.419 176.532 176.094 0.031 0.000 1.060 163 V CA -1.069 61.239 62.300 0.012 0.000 1.053 163 V CB 0.388 32.200 31.823 -0.017 0.000 1.198 163 V HN 0.459 nan 8.190 nan 0.000 0.447 164 R N 0.067 120.579 120.500 0.020 0.000 2.465 164 R HA -0.091 4.248 4.340 -0.001 0.000 0.273 164 R C -0.521 175.814 176.300 0.060 0.000 0.952 164 R CA 0.603 56.725 56.100 0.036 0.000 1.103 164 R CB -0.218 30.080 30.300 -0.004 0.000 0.861 164 R HN 0.825 nan 8.270 nan 0.000 0.425 165 Y N 1.671 121.977 120.300 0.009 0.000 2.304 165 Y HA 0.239 4.788 4.550 -0.002 0.000 0.327 165 Y C -0.422 175.487 175.900 0.014 0.000 1.209 165 Y CA -0.648 57.462 58.100 0.018 0.000 1.299 165 Y CB 1.151 39.624 38.460 0.022 0.000 1.249 165 Y HN 0.552 nan 8.280 nan 0.000 0.519 166 E N 3.706 123.170 120.200 -1.226 0.000 2.311 166 E HA 0.165 4.514 4.350 -0.001 0.000 0.281 166 E C -2.173 173.840 176.600 -0.977 0.000 0.905 166 E CA -0.685 55.157 56.400 -0.930 0.000 0.778 166 E CB 0.881 30.358 29.700 -0.373 0.000 1.240 166 E HN 0.615 nan 8.360 nan 0.000 0.410 167 D N 4.642 124.625 120.400 -0.695 0.000 2.342 167 D HA 0.161 4.800 4.640 -0.001 0.000 0.260 167 D C 0.330 176.572 176.300 -0.097 0.000 1.278 167 D CA 0.524 54.416 54.000 -0.181 0.000 0.910 167 D CB 0.236 41.052 40.800 0.027 0.000 1.079 167 D HN 0.607 nan 8.370 nan 0.000 0.496 168 I N 3.103 123.652 120.570 -0.034 0.000 3.739 168 I HA 0.118 4.287 4.170 -0.001 0.000 0.272 168 I C 0.798 176.936 176.117 0.036 0.000 1.167 168 I CA -0.333 60.967 61.300 0.001 0.000 1.386 168 I CB 0.051 38.060 38.000 0.016 0.000 1.490 168 I HN 0.243 nan 8.210 nan 0.000 0.452 169 I N 2.395 123.015 120.570 0.084 0.000 2.662 169 I HA 0.011 4.181 4.170 -0.001 0.000 0.285 169 I C 1.155 177.256 176.117 -0.025 0.000 1.161 169 I CA 0.180 61.521 61.300 0.068 0.000 1.415 169 I CB 0.301 38.381 38.000 0.134 0.000 1.385 169 I HN 0.192 nan 8.210 nan 0.000 0.552 170 G N 4.383 113.148 108.800 -0.058 0.000 3.411 170 G HA2 0.180 4.139 3.960 -0.001 0.000 0.186 170 G HA3 0.180 4.139 3.960 -0.001 0.000 0.186 170 G C 0.004 174.827 174.900 -0.128 0.000 1.766 170 G CA -0.144 44.909 45.100 -0.078 0.000 0.971 170 G HN 0.647 nan 8.290 nan 0.000 0.590 171 S N 0.021 115.654 115.700 -0.111 0.000 2.549 171 S HA 0.403 4.873 4.470 -0.001 0.000 0.279 171 S C 0.052 174.549 174.600 -0.172 0.000 1.321 171 S CA 0.310 58.432 58.200 -0.131 0.000 1.054 171 S CB 1.019 64.168 63.200 -0.085 0.000 0.899 171 S HN 0.939 nan 8.310 nan 0.000 0.497 172 T N 1.127 115.552 114.554 -0.215 0.000 3.331 172 T HA 0.413 4.762 4.350 -0.001 0.000 0.381 172 T C -0.036 174.575 174.700 -0.149 0.000 1.656 172 T CA -0.868 61.105 62.100 -0.212 0.000 1.453 172 T CB -0.549 68.106 68.868 -0.356 0.000 1.066 172 T HN 0.577 nan 8.240 nan 0.000 0.655 173 I N 3.475 123.970 120.570 -0.124 0.000 2.416 173 I HA 0.469 4.638 4.170 -0.001 0.000 0.288 173 I C 0.589 176.652 176.117 -0.090 0.000 1.051 173 I CA -1.032 60.206 61.300 -0.103 0.000 1.375 173 I CB 0.431 38.380 38.000 -0.085 0.000 1.407 173 I HN 0.513 nan 8.210 nan 0.000 0.516 174 V N 2.546 122.411 119.914 -0.082 0.000 2.914 174 V HA 0.571 4.690 4.120 -0.001 0.000 0.314 174 V C -0.518 175.553 176.094 -0.038 0.000 1.084 174 V CA -0.836 61.432 62.300 -0.054 0.000 0.963 174 V CB 2.618 34.418 31.823 -0.037 0.000 1.025 174 V HN 0.678 nan 8.190 nan 0.000 0.432 175 D N 3.086 123.473 120.400 -0.021 0.000 2.380 175 D HA 0.286 4.925 4.640 -0.001 0.000 0.230 175 D C 1.333 177.639 176.300 0.010 0.000 1.154 175 D CA -0.319 53.674 54.000 -0.011 0.000 0.859 175 D CB 1.348 42.142 40.800 -0.011 0.000 1.045 175 D HN 0.780 nan 8.370 nan 0.000 0.495 176 I N 1.484 122.063 120.570 0.014 0.000 3.010 176 I HA -0.113 4.056 4.170 -0.001 0.000 0.271 176 I C 1.908 178.046 176.117 0.035 0.000 1.293 176 I CA 0.503 61.826 61.300 0.038 0.000 1.452 176 I CB -0.002 38.020 38.000 0.036 0.000 1.082 176 I HN 0.167 nan 8.210 nan 0.000 0.484 177 K N 1.902 122.314 120.400 0.021 0.000 2.001 177 K HA -0.169 4.151 4.320 -0.001 0.000 0.208 177 K C 2.052 178.664 176.600 0.020 0.000 1.048 177 K CA 2.296 58.593 56.287 0.017 0.000 0.932 177 K CB -0.077 32.429 32.500 0.009 0.000 0.715 177 K HN 0.725 nan 8.250 nan 0.000 0.437 178 c N -0.972 117.640 118.600 0.021 0.000 2.935 178 c HA 0.404 4.973 4.570 -0.001 0.000 0.308 178 c C 0.807 174.917 174.090 0.032 0.000 1.263 178 c CA -0.823 55.519 56.329 0.022 0.000 1.738 178 c CB -0.199 42.320 42.510 0.016 0.000 2.237 178 c HN -0.033 nan 8.230 nan 0.000 0.600 179 V N 3.001 122.941 119.914 0.044 0.000 2.353 179 V HA 0.181 4.300 4.120 -0.001 0.000 0.264 179 V C 1.169 177.323 176.094 0.099 0.000 1.049 179 V CA 0.390 62.731 62.300 0.068 0.000 0.896 179 V CB 0.720 32.589 31.823 0.075 0.000 1.025 179 V HN 0.533 nan 8.190 nan 0.000 0.475 180 K N 3.488 123.930 120.400 0.071 0.000 2.057 180 K HA 0.092 4.411 4.320 -0.001 0.000 0.209 180 K C 0.273 176.885 176.600 0.021 0.000 1.028 180 K CA 0.585 56.900 56.287 0.046 0.000 0.950 180 K CB 0.316 32.818 32.500 0.003 0.000 0.784 180 K HN 0.668 nan 8.250 nan 0.000 0.448 181 D N -0.222 120.164 120.400 -0.022 0.000 2.449 181 D HA 0.413 5.052 4.640 -0.001 0.000 0.250 181 D C -1.052 175.268 176.300 0.034 0.000 1.050 181 D CA -0.441 53.502 54.000 -0.095 0.000 1.024 181 D CB 2.069 42.782 40.800 -0.145 0.000 1.218 181 D HN 0.228 nan 8.370 nan 0.000 0.566 182 L N -0.169 121.070 121.223 0.027 0.000 2.592 182 L HA 0.333 4.672 4.340 -0.001 0.000 0.258 182 L C -1.732 175.075 176.870 -0.105 0.000 0.926 182 L CA -0.389 54.468 54.840 0.028 0.000 0.885 182 L CB 1.998 44.130 42.059 0.122 0.000 1.380 182 L HN 0.285 nan 8.230 nan 0.000 0.415 183 E N 3.750 123.895 120.200 -0.091 0.000 2.246 183 E HA 0.500 4.849 4.350 -0.001 0.000 0.266 183 E C -1.941 174.655 176.600 -0.007 0.000 0.880 183 E CA -0.474 55.845 56.400 -0.135 0.000 0.762 183 E CB 2.920 32.571 29.700 -0.081 0.000 1.180 183 E HN 0.369 nan 8.360 nan 0.000 0.416 184 F N 1.454 121.237 119.950 -0.278 0.000 2.588 184 F HA 0.592 5.119 4.527 -0.000 0.000 0.310 184 F C -0.975 174.828 175.800 0.006 0.000 1.082 184 F CA -0.549 57.402 58.000 -0.081 0.000 0.929 184 F CB 2.202 41.227 39.000 0.043 0.000 1.254 184 F HN 0.321 nan 8.300 nan 0.000 0.455 185 S N 3.606 118.986 115.700 -0.533 0.000 2.566 185 S HA 0.774 5.244 4.470 -0.001 0.000 0.273 185 S C -2.150 172.250 174.600 -0.334 0.000 1.157 185 S CA -0.489 57.550 58.200 -0.269 0.000 0.938 185 S CB 1.224 64.325 63.200 -0.166 0.000 1.087 185 S HN 0.495 nan 8.310 nan 0.000 0.474 186 V N 5.632 125.492 119.914 -0.090 0.000 2.540 186 V HA 0.730 4.849 4.120 -0.001 0.000 0.302 186 V C -0.307 175.783 176.094 -0.006 0.000 1.035 186 V CA -0.811 61.468 62.300 -0.035 0.000 0.873 186 V CB 1.885 33.722 31.823 0.024 0.000 0.992 186 V HN 0.787 nan 8.190 nan 0.000 0.428 187 R N 3.922 124.375 120.500 -0.079 0.000 2.750 187 R HA 0.714 5.053 4.340 -0.001 0.000 0.281 187 R C -1.447 174.786 176.300 -0.111 0.000 0.972 187 R CA -0.666 55.330 56.100 -0.174 0.000 0.912 187 R CB 2.604 32.631 30.300 -0.455 0.000 1.187 187 R HN 0.647 nan 8.270 nan 0.000 0.464 188 I N 1.289 121.800 120.570 -0.099 0.000 2.500 188 I HA 0.519 4.688 4.170 -0.001 0.000 0.286 188 I C 0.216 176.277 176.117 -0.093 0.000 1.063 188 I CA -0.533 60.723 61.300 -0.074 0.000 1.062 188 I CB 2.254 40.221 38.000 -0.053 0.000 1.223 188 I HN 0.723 nan 8.210 nan 0.000 0.435 189 G N 4.005 112.754 108.800 -0.086 0.000 2.706 189 G HA2 0.220 4.180 3.960 -0.001 0.000 0.307 189 G HA3 0.220 4.180 3.960 -0.001 0.000 0.307 189 G C -1.978 172.881 174.900 -0.067 0.000 1.307 189 G CA -0.390 44.654 45.100 -0.094 0.000 0.790 189 G HN 0.417 nan 8.290 nan 0.000 0.503 190 D N 0.585 120.948 120.400 -0.062 0.000 2.316 190 D HA 0.213 4.852 4.640 -0.001 0.000 0.245 190 D C 1.401 177.708 176.300 0.011 0.000 1.171 190 D CA -0.285 53.714 54.000 -0.001 0.000 0.856 190 D CB 1.129 41.942 40.800 0.023 0.000 1.090 190 D HN 0.282 nan 8.370 nan 0.000 0.476 191 M N 2.374 121.993 119.600 0.031 0.000 2.700 191 M HA -0.068 4.411 4.480 -0.001 0.000 0.249 191 M C 1.517 177.798 176.300 -0.032 0.000 1.082 191 M CA 0.329 55.631 55.300 0.003 0.000 1.077 191 M CB 0.148 32.752 32.600 0.008 0.000 1.477 191 M HN 0.437 nan 8.290 nan 0.000 0.529 192 c N -0.581 118.020 118.600 0.002 0.000 2.464 192 c HA 0.230 4.800 4.570 -0.001 0.000 0.348 192 c C 0.976 175.059 174.090 -0.011 0.000 1.367 192 c CA -0.016 56.300 56.329 -0.021 0.000 2.012 192 c CB 0.422 42.950 42.510 0.030 0.000 2.434 192 c HN 0.429 nan 8.230 nan 0.000 0.536 193 K N 1.236 121.646 120.400 0.017 0.000 2.579 193 K HA 0.138 4.457 4.320 -0.001 0.000 0.257 193 K C -1.395 175.213 176.600 0.013 0.000 0.950 193 K CA -0.187 56.108 56.287 0.013 0.000 0.862 193 K CB 0.931 33.444 32.500 0.022 0.000 1.317 193 K HN 0.282 nan 8.250 nan 0.000 0.436 194 E N 1.367 121.562 120.200 -0.008 0.000 2.568 194 E HA 0.021 4.370 4.350 -0.001 0.000 0.262 194 E C -0.609 175.973 176.600 -0.029 0.000 0.961 194 E CA 0.481 56.864 56.400 -0.029 0.000 0.945 194 E CB 0.644 30.327 29.700 -0.029 0.000 0.924 194 E HN 0.479 nan 8.360 nan 0.000 0.467 195 A N 2.315 125.088 122.820 -0.078 0.000 2.291 195 A HA 0.220 4.539 4.320 -0.001 0.000 0.311 195 A C 1.036 178.563 177.584 -0.094 0.000 1.224 195 A CA -0.408 51.567 52.037 -0.103 0.000 0.821 195 A CB 0.971 19.791 19.000 -0.300 0.000 1.172 195 A HN 0.677 nan 8.150 nan 0.000 0.494 196 S N 1.778 117.455 115.700 -0.039 0.000 2.444 196 S HA -0.235 4.235 4.470 -0.001 0.000 0.244 196 S C 0.799 175.380 174.600 -0.031 0.000 1.025 196 S CA 2.178 60.365 58.200 -0.022 0.000 0.995 196 S CB -0.243 62.961 63.200 0.006 0.000 0.781 196 S HN 0.789 nan 8.310 nan 0.000 0.496 197 E N -0.159 120.006 120.200 -0.057 0.000 2.562 197 E HA 0.320 4.669 4.350 -0.001 0.000 0.214 197 E C 0.233 176.739 176.600 -0.157 0.000 0.979 197 E CA -0.008 56.356 56.400 -0.059 0.000 1.002 197 E CB 0.486 30.215 29.700 0.049 0.000 1.048 197 E HN 0.515 nan 8.360 nan 0.000 0.488 198 L N 1.483 122.569 121.223 -0.228 0.000 3.154 198 L HA 0.295 4.635 4.340 -0.001 0.000 0.266 198 L C -0.315 176.446 176.870 -0.182 0.000 1.300 198 L CA -0.039 54.644 54.840 -0.263 0.000 1.028 198 L CB 0.448 42.246 42.059 -0.434 0.000 1.412 198 L HN -0.124 nan 8.230 nan 0.000 0.564 199 E N 2.283 122.405 120.200 -0.130 0.000 2.331 199 E HA 0.375 4.724 4.350 -0.001 0.000 0.243 199 E C -0.667 175.883 176.600 -0.083 0.000 0.925 199 E CA -0.154 56.185 56.400 -0.102 0.000 0.760 199 E CB 2.650 32.300 29.700 -0.084 0.000 1.254 199 E HN 0.064 nan 8.360 nan 0.000 0.419 200 V N -0.232 119.627 119.914 -0.090 0.000 2.815 200 V HA 0.723 4.842 4.120 -0.001 0.000 0.314 200 V C -0.056 175.993 176.094 -0.076 0.000 1.064 200 V CA -0.889 61.359 62.300 -0.086 0.000 0.952 200 V CB 2.513 34.266 31.823 -0.117 0.000 1.020 200 V HN 0.424 nan 8.190 nan 0.000 0.439 201 K N 1.075 121.446 120.400 -0.049 0.000 2.433 201 K HA 0.721 5.040 4.320 -0.001 0.000 0.252 201 K C -1.830 174.795 176.600 0.042 0.000 1.015 201 K CA -0.515 55.770 56.287 -0.004 0.000 0.860 201 K CB 2.363 34.881 32.500 0.031 0.000 1.359 201 K HN 1.017 nan 8.250 nan 0.000 0.452 202 D N -1.001 119.464 120.400 0.108 0.000 2.742 202 D HA 0.593 5.232 4.640 -0.001 0.000 0.262 202 D C -1.584 174.851 176.300 0.225 0.000 1.240 202 D CA 0.402 54.526 54.000 0.208 0.000 0.752 202 D CB 1.878 42.770 40.800 0.153 0.000 1.290 202 D HN 0.761 nan 8.370 nan 0.000 0.420 203 G N -0.308 108.681 108.800 0.315 0.000 2.328 203 G HA2 0.564 4.523 3.960 -0.001 0.000 0.299 203 G HA3 0.564 4.523 3.960 -0.001 0.000 0.299 203 G C -1.937 173.239 174.900 0.459 0.000 1.435 203 G CA -0.316 45.005 45.100 0.367 0.000 0.865 203 G HN 0.909 nan 8.290 nan 0.000 0.601 204 F N -1.105 118.967 119.950 0.203 0.000 2.650 204 F HA 0.884 5.410 4.527 -0.002 0.000 0.310 204 F C -1.275 174.622 175.800 0.162 0.000 1.112 204 F CA -1.786 56.309 58.000 0.158 0.000 0.986 204 F CB 1.734 40.819 39.000 0.143 0.000 1.285 204 F HN 0.391 nan 8.300 nan 0.000 0.440 205 K N 2.998 123.385 120.400 -0.022 0.000 2.240 205 K HA 0.386 4.706 4.320 -0.001 0.000 0.271 205 K C -1.856 174.773 176.600 0.048 0.000 1.018 205 K CA -0.561 55.668 56.287 -0.096 0.000 0.874 205 K CB 0.850 33.338 32.500 -0.021 0.000 1.098 205 K HN 0.674 nan 8.250 nan 0.000 0.458 206 Y N 5.246 125.462 120.300 -0.142 0.000 2.464 206 Y HA 0.525 5.074 4.550 -0.002 0.000 0.326 206 Y C -1.198 174.695 175.900 -0.013 0.000 0.969 206 Y CA -1.268 56.837 58.100 0.008 0.000 1.270 206 Y CB 0.302 38.810 38.460 0.081 0.000 1.103 206 Y HN 0.488 nan 8.280 nan 0.000 0.491 207 I N 5.229 125.543 120.570 -0.426 0.000 2.569 207 I HA 0.215 4.384 4.170 -0.001 0.000 0.290 207 I C -0.666 175.243 176.117 -0.347 0.000 1.088 207 I CA -1.005 60.053 61.300 -0.402 0.000 1.047 207 I CB 2.095 39.983 38.000 -0.186 0.000 1.237 207 I HN 0.487 nan 8.210 nan 0.000 0.421 208 D N 4.566 124.770 120.400 -0.327 0.000 2.811 208 D HA -0.186 4.454 4.640 -0.001 0.000 0.231 208 D C 1.051 177.266 176.300 -0.141 0.000 1.157 208 D CA 1.905 55.794 54.000 -0.185 0.000 0.716 208 D CB -0.931 39.807 40.800 -0.105 0.000 1.077 208 D HN 1.150 nan 8.370 nan 0.000 0.428 209 G N -1.864 106.801 108.800 -0.226 0.000 2.284 209 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.247 209 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.247 209 G C 0.529 175.550 174.900 0.203 0.000 1.012 209 G CA 0.295 45.445 45.100 0.083 0.000 0.618 209 G HN 0.610 nan 8.290 nan 0.000 0.521 210 S N 0.560 116.299 115.700 0.065 0.000 2.452 210 S HA 0.565 5.034 4.470 -0.001 0.000 0.284 210 S C 0.366 175.095 174.600 0.214 0.000 1.171 210 S CA -0.332 57.942 58.200 0.123 0.000 1.064 210 S CB 1.738 64.969 63.200 0.052 0.000 0.967 210 S HN 0.616 nan 8.310 nan 0.000 0.484 211 V N 4.687 124.766 119.914 0.276 0.000 2.432 211 V HA 0.518 4.637 4.120 -0.001 0.000 0.275 211 V C 0.146 176.368 176.094 0.214 0.000 1.043 211 V CA -0.489 62.006 62.300 0.325 0.000 0.925 211 V CB 1.292 33.279 31.823 0.274 0.000 0.985 211 V HN 0.928 nan 8.190 nan 0.000 0.466 212 S N 3.511 119.348 115.700 0.229 0.000 2.594 212 S HA 0.728 5.197 4.470 -0.001 0.000 0.296 212 S C -0.795 173.931 174.600 0.209 0.000 1.124 212 S CA -0.931 57.364 58.200 0.158 0.000 1.011 212 S CB 1.975 65.235 63.200 0.100 0.000 1.016 212 S HN 0.699 nan 8.310 nan 0.000 0.485 213 E N 1.143 121.436 120.200 0.156 0.000 2.450 213 E HA 0.863 5.212 4.350 -0.001 0.000 0.248 213 E C 0.510 177.159 176.600 0.082 0.000 0.930 213 E CA -0.988 55.516 56.400 0.172 0.000 0.854 213 E CB 1.421 31.196 29.700 0.125 0.000 1.355 213 E HN 1.101 nan 8.360 nan 0.000 0.402 214 G N -0.253 108.584 108.800 0.063 0.000 2.416 214 G HA2 0.190 4.149 3.960 -0.001 0.000 0.203 214 G HA3 0.190 4.149 3.960 -0.001 0.000 0.203 214 G C -1.325 173.639 174.900 0.106 0.000 1.227 214 G CA -0.465 44.611 45.100 -0.041 0.000 1.041 214 G HN 0.739 nan 8.290 nan 0.000 0.546 215 A N -1.019 121.851 122.820 0.083 0.000 2.350 215 A HA 1.029 5.348 4.320 -0.001 0.000 0.324 215 A C 0.150 177.783 177.584 0.082 0.000 1.118 215 A CA 0.774 52.891 52.037 0.133 0.000 0.783 215 A CB 1.996 21.096 19.000 0.166 0.000 1.236 215 A HN 2.314 nan 8.150 nan 0.000 0.457 216 T N -0.134 114.470 114.554 0.082 0.000 2.718 216 T HA 0.420 4.769 4.350 -0.001 0.000 0.306 216 T C -1.911 172.823 174.700 0.056 0.000 1.485 216 T CA -0.437 61.697 62.100 0.057 0.000 0.997 216 T CB 1.384 70.279 68.868 0.046 0.000 1.504 216 T HN 0.738 nan 8.240 nan 0.000 0.497 217 D N 0.607 121.032 120.400 0.041 0.000 2.264 217 D HA 0.440 5.079 4.640 -0.001 0.000 0.250 217 D C -0.383 175.936 176.300 0.031 0.000 1.113 217 D CA -0.160 53.865 54.000 0.041 0.000 0.871 217 D CB 0.716 41.533 40.800 0.030 0.000 1.167 217 D HN 0.380 nan 8.370 nan 0.000 0.447 218 D N 2.451 122.876 120.400 0.043 0.000 2.819 218 D HA 0.025 4.664 4.640 -0.001 0.000 0.326 218 D C 0.906 177.193 176.300 -0.022 0.000 1.408 218 D CA 0.157 54.151 54.000 -0.011 0.000 0.811 218 D CB 0.788 41.551 40.800 -0.061 0.000 1.148 218 D HN 0.514 nan 8.370 nan 0.000 0.457 219 T N -3.147 111.420 114.554 0.023 0.000 3.085 219 T HA 0.008 4.357 4.350 -0.001 0.000 0.263 219 T C 1.448 176.141 174.700 -0.012 0.000 1.127 219 T CA 0.426 62.542 62.100 0.026 0.000 1.103 219 T CB 0.190 69.082 68.868 0.040 0.000 0.921 219 T HN -0.163 nan 8.240 nan 0.000 0.510 220 S N 0.275 115.962 115.700 -0.023 0.000 2.650 220 S HA 0.358 4.827 4.470 -0.001 0.000 0.240 220 S C 1.157 175.732 174.600 -0.042 0.000 1.007 220 S CA -0.489 57.695 58.200 -0.027 0.000 0.984 220 S CB 0.281 63.471 63.200 -0.017 0.000 0.910 220 S HN 0.238 nan 8.310 nan 0.000 0.509 221 L N 2.558 123.742 121.223 -0.065 0.000 2.017 221 L HA 0.233 4.572 4.340 -0.001 0.000 0.208 221 L C 0.539 177.369 176.870 -0.066 0.000 1.073 221 L CA 1.664 56.459 54.840 -0.075 0.000 0.745 221 L CB -0.116 41.872 42.059 -0.119 0.000 0.894 221 L HN 0.496 nan 8.230 nan 0.000 0.432 222 I N -4.763 115.762 120.570 -0.076 0.000 3.042 222 I HA 0.396 4.565 4.170 -0.001 0.000 0.310 222 I C -0.968 175.121 176.117 -0.047 0.000 1.117 222 I CA -0.989 60.277 61.300 -0.057 0.000 1.003 222 I CB 1.649 39.611 38.000 -0.062 0.000 1.228 222 I HN -0.247 nan 8.210 nan 0.000 0.443 223 D N 2.724 123.103 120.400 -0.035 0.000 2.441 223 D HA 0.284 4.923 4.640 -0.001 0.000 0.221 223 D C 0.672 176.952 176.300 -0.032 0.000 1.156 223 D CA 0.001 53.983 54.000 -0.029 0.000 0.896 223 D CB 1.322 42.108 40.800 -0.023 0.000 1.028 223 D HN 0.612 nan 8.370 nan 0.000 0.509 224 S N 1.485 117.163 115.700 -0.036 0.000 2.400 224 S HA -0.183 4.286 4.470 -0.001 0.000 0.232 224 S C 2.074 176.650 174.600 -0.041 0.000 1.025 224 S CA 1.649 59.825 58.200 -0.040 0.000 0.993 224 S CB -0.189 62.988 63.200 -0.039 0.000 0.808 224 S HN 0.779 nan 8.310 nan 0.000 0.478 225 T N 0.805 115.338 114.554 -0.036 0.000 2.849 225 T HA -0.072 4.277 4.350 -0.001 0.000 0.270 225 T C 1.482 176.162 174.700 -0.034 0.000 1.066 225 T CA 1.054 63.132 62.100 -0.037 0.000 1.130 225 T CB -0.338 68.513 68.868 -0.029 0.000 0.864 225 T HN 0.388 nan 8.240 nan 0.000 0.481 226 K N 0.497 120.880 120.400 -0.029 0.000 2.228 226 K HA 0.242 4.561 4.320 -0.001 0.000 0.202 226 K C 0.799 177.385 176.600 -0.024 0.000 1.051 226 K CA -0.016 56.257 56.287 -0.023 0.000 0.960 226 K CB -0.347 32.142 32.500 -0.018 0.000 0.743 226 K HN 0.382 nan 8.250 nan 0.000 0.458 227 L N 2.248 123.453 121.223 -0.030 0.000 2.554 227 L HA -0.101 4.238 4.340 -0.001 0.000 0.293 227 L C 0.301 177.151 176.870 -0.033 0.000 1.252 227 L CA 0.690 55.512 54.840 -0.030 0.000 0.862 227 L CB 0.167 42.202 42.059 -0.040 0.000 1.113 227 L HN 0.009 nan 8.230 nan 0.000 0.510 228 K N 2.936 123.322 120.400 -0.023 0.000 2.463 228 K HA 0.460 4.779 4.320 -0.001 0.000 0.255 228 K C -0.665 175.924 176.600 -0.018 0.000 0.942 228 K CA -0.618 55.656 56.287 -0.022 0.000 0.814 228 K CB 1.998 34.492 32.500 -0.008 0.000 1.122 228 K HN 0.611 nan 8.250 nan 0.000 0.425 229 A N 2.728 125.531 122.820 -0.028 0.000 2.548 229 A HA 0.103 4.422 4.320 -0.001 0.000 0.247 229 A C 0.620 178.206 177.584 0.003 0.000 1.067 229 A CA -0.052 51.972 52.037 -0.020 0.000 0.757 229 A CB -0.366 18.618 19.000 -0.026 0.000 0.996 229 A HN 0.821 nan 8.150 nan 0.000 0.504 230 c N 1.455 120.061 118.600 0.011 0.000 2.694 230 c HA 0.213 4.782 4.570 -0.001 0.000 0.324 230 c C 2.302 176.412 174.090 0.033 0.000 1.813 230 c CA -0.043 56.303 56.329 0.029 0.000 2.009 230 c CB 0.403 42.940 42.510 0.045 0.000 1.939 230 c HN 0.729 nan 8.230 nan 0.000 0.551 231 V N 1.066 121.007 119.914 0.045 0.000 2.594 231 V HA 0.029 4.148 4.120 -0.001 0.000 0.253 231 V C 1.311 177.434 176.094 0.048 0.000 1.069 231 V CA 1.836 64.164 62.300 0.046 0.000 1.082 231 V CB -1.416 30.439 31.823 0.053 0.000 0.680 231 V HN 0.952 nan 8.190 nan 0.000 0.469 232 G N 0.004 108.835 108.800 0.052 0.000 2.322 232 G HA2 0.561 4.521 3.960 -0.001 0.000 0.309 232 G HA3 0.561 4.521 3.960 -0.001 0.000 0.309 232 G C -0.362 174.552 174.900 0.024 0.000 1.121 232 G CA 0.683 45.814 45.100 0.051 0.000 0.886 232 G HN 0.612 nan 8.290 nan 0.000 0.447 233 S N 0.771 116.486 115.700 0.024 0.000 2.655 233 S HA 0.649 5.118 4.470 -0.001 0.000 0.263 233 S C -1.655 172.954 174.600 0.015 0.000 1.091 233 S CA -0.825 57.385 58.200 0.016 0.000 0.865 233 S CB 0.857 64.075 63.200 0.030 0.000 1.146 233 S HN 0.607 nan 8.310 nan 0.000 0.482 234 L N 0.001 121.231 121.223 0.013 0.000 2.301 234 L HA 0.904 5.243 4.340 -0.001 0.000 0.249 234 L C -0.403 176.459 176.870 -0.012 0.000 1.069 234 L CA -0.681 54.158 54.840 -0.001 0.000 0.865 234 L CB 1.704 43.761 42.059 -0.003 0.000 1.467 234 L HN 0.820 nan 8.230 nan 0.000 0.419 235 V N 0.000 119.893 119.914 -0.035 0.000 2.409 235 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 235 V CA 0.000 62.258 62.300 -0.070 0.000 1.235 235 V CB 0.000 31.762 31.823 -0.102 0.000 1.184 235 V HN 0.000 nan 8.190 nan 0.000 0.556