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 3nkv_1_A DATA FIRST_RESID 4 DATA SEQUENCE EYDYLFKLLL IGDSGVGKSC LLLRFADDTY TESYISTIGV DFKIRTIELD DATA SEQUENCE GKTIKLQIWD TAGQERFRTI TSSYYRGAHG IIVVYDVTDQ ESYANVKQWL DATA SEQUENCE QEIDRYASEN VNKLLVGNKS DLTTKKVVDN TTAKEFADSL GIPFLETSAK DATA SEQUENCE NATNVEQAFM TMAAEIKKRM 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 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.368 176.600 -0.387 0.000 1.382 4 E CA 0.000 56.205 56.400 -0.325 0.000 0.976 4 E CB 0.000 29.622 29.700 -0.131 0.000 0.812 5 Y N 2.879 123.135 120.300 -0.072 0.000 2.335 5 Y HA 0.256 4.807 4.550 0.001 0.000 0.331 5 Y C 1.390 177.200 175.900 -0.151 0.000 1.094 5 Y CA 0.067 58.109 58.100 -0.096 0.000 1.253 5 Y CB 0.946 39.358 38.460 -0.080 0.000 1.203 5 Y HN 0.469 nan 8.280 nan 0.000 0.508 6 D N 1.855 122.209 120.400 -0.077 0.000 2.277 6 D HA -0.041 4.600 4.640 0.002 0.000 0.209 6 D C -0.561 175.366 176.300 -0.622 0.000 0.970 6 D CA 1.236 55.035 54.000 -0.336 0.000 0.874 6 D CB 0.379 40.976 40.800 -0.339 0.000 0.982 6 D HN 0.387 nan 8.370 nan 0.000 0.504 7 Y N -0.299 119.938 120.300 -0.104 0.000 2.562 7 Y HA 0.439 4.989 4.550 0.001 0.000 0.345 7 Y C -0.843 174.855 175.900 -0.336 0.000 1.045 7 Y CA -1.149 56.788 58.100 -0.271 0.000 1.028 7 Y CB 1.983 40.057 38.460 -0.643 0.000 1.297 7 Y HN -0.275 nan 8.280 nan 0.000 0.463 8 L N 3.694 124.857 121.223 -0.100 0.000 2.372 8 L HA 0.623 4.964 4.340 0.002 0.000 0.273 8 L C -2.042 174.898 176.870 0.118 0.000 0.989 8 L CA -0.617 54.195 54.840 -0.047 0.000 0.841 8 L CB 0.190 42.276 42.059 0.044 0.000 1.225 8 L HN 0.524 nan 8.230 nan 0.000 0.414 9 F N 3.351 123.334 119.950 0.056 0.000 2.508 9 F HA 0.533 5.060 4.527 -0.001 0.000 0.325 9 F C 0.258 176.236 175.800 0.297 0.000 1.090 9 F CA -1.214 56.814 58.000 0.047 0.000 0.945 9 F CB 2.033 41.023 39.000 -0.017 0.000 1.156 9 F HN 0.238 nan 8.300 nan 0.000 0.463 10 K N 4.268 125.139 120.400 0.785 0.000 2.240 10 K HA 0.599 4.921 4.320 0.002 0.000 0.271 10 K C -1.085 175.821 176.600 0.509 0.000 1.018 10 K CA -0.422 56.266 56.287 0.668 0.000 0.874 10 K CB 1.734 34.641 32.500 0.679 0.000 1.098 10 K HN 0.477 nan 8.250 nan 0.000 0.458 11 L N 3.780 125.270 121.223 0.444 0.000 2.346 11 L HA 0.558 4.899 4.340 0.002 0.000 0.274 11 L C -1.028 176.041 176.870 0.331 0.000 1.007 11 L CA -1.313 53.710 54.840 0.305 0.000 0.818 11 L CB 1.369 43.579 42.059 0.251 0.000 1.284 11 L HN 0.369 nan 8.230 nan 0.000 0.424 12 L N 2.893 124.217 121.223 0.168 0.000 2.365 12 L HA 0.593 4.934 4.340 0.002 0.000 0.273 12 L C -1.072 175.787 176.870 -0.018 0.000 1.000 12 L CA -0.170 54.726 54.840 0.094 0.000 0.819 12 L CB 1.952 43.977 42.059 -0.057 0.000 1.284 12 L HN 0.399 nan 8.230 nan 0.000 0.418 13 L N 6.149 127.357 121.223 -0.026 0.000 2.287 13 L HA 0.627 4.968 4.340 0.002 0.000 0.287 13 L C -0.231 176.533 176.870 -0.176 0.000 1.022 13 L CA -0.301 54.480 54.840 -0.098 0.000 0.814 13 L CB 1.272 43.299 42.059 -0.053 0.000 1.217 13 L HN 0.584 nan 8.230 nan 0.000 0.420 14 I N -0.125 120.282 120.570 -0.272 0.000 3.002 14 I HA 1.088 5.259 4.170 0.002 0.000 0.310 14 I C 0.010 175.684 176.117 -0.738 0.000 1.087 14 I CA -0.567 60.441 61.300 -0.487 0.000 1.017 14 I CB 2.470 40.215 38.000 -0.426 0.000 1.226 14 I HN 0.614 nan 8.210 nan 0.000 0.443 15 G N 2.192 110.146 108.800 -1.411 0.000 2.368 15 G HA2 0.089 4.050 3.960 0.002 0.000 0.302 15 G HA3 0.089 4.050 3.960 0.002 0.000 0.302 15 G C -1.954 172.585 174.900 -0.601 0.000 1.329 15 G CA -0.905 43.393 45.100 -1.338 0.000 0.935 15 G HN 0.735 nan 8.290 nan 0.000 0.590 16 D N 0.293 120.724 120.400 0.052 0.000 2.423 16 D HA 0.406 5.047 4.640 0.002 0.000 0.238 16 D C 1.060 177.469 176.300 0.182 0.000 1.142 16 D CA 0.631 54.840 54.000 0.347 0.000 0.884 16 D CB 1.391 42.411 40.800 0.367 0.000 1.199 16 D HN 0.506 nan 8.370 nan 0.000 0.438 17 S N 0.621 116.460 115.700 0.232 0.000 2.563 17 S HA 0.298 4.770 4.470 0.002 0.000 0.294 17 S C 1.282 175.986 174.600 0.173 0.000 1.279 17 S CA 0.705 59.013 58.200 0.179 0.000 1.069 17 S CB -0.084 63.262 63.200 0.243 0.000 0.828 17 S HN 0.703 nan 8.310 nan 0.000 0.497 18 G N 2.218 111.041 108.800 0.039 0.000 2.157 18 G HA2 -0.274 3.687 3.960 0.002 0.000 0.248 18 G HA3 -0.274 3.687 3.960 0.002 0.000 0.248 18 G C 0.670 175.589 174.900 0.031 0.000 0.979 18 G CA 0.516 45.614 45.100 -0.003 0.000 0.650 18 G HN 1.733 nan 8.290 nan 0.000 0.529 19 V N -2.291 117.635 119.914 0.021 0.000 3.129 19 V HA 0.540 4.661 4.120 0.002 0.000 0.259 19 V C 1.891 177.972 176.094 -0.022 0.000 1.116 19 V CA 1.641 63.956 62.300 0.024 0.000 1.127 19 V CB -0.099 31.744 31.823 0.033 0.000 0.742 19 V HN 2.271 nan 8.190 nan 0.000 0.474 20 G N 0.376 109.141 108.800 -0.057 0.000 2.145 20 G HA2 -0.207 3.754 3.960 0.002 0.000 0.176 20 G HA3 -0.207 3.754 3.960 0.002 0.000 0.176 20 G C 0.491 175.363 174.900 -0.047 0.000 1.013 20 G CA 0.306 45.377 45.100 -0.049 0.000 0.689 20 G HN 0.491 nan 8.290 nan 0.000 0.506 21 K N 0.367 120.725 120.400 -0.071 0.000 2.026 21 K HA -0.044 4.277 4.320 0.002 0.000 0.208 21 K C 2.602 179.184 176.600 -0.031 0.000 1.048 21 K CA 1.728 57.980 56.287 -0.060 0.000 0.929 21 K CB -0.228 32.218 32.500 -0.091 0.000 0.713 21 K HN 0.307 nan 8.250 nan 0.000 0.439 22 S N 0.728 116.393 115.700 -0.059 0.000 2.368 22 S HA -0.134 4.337 4.470 0.002 0.000 0.224 22 S C 2.217 176.801 174.600 -0.027 0.000 1.029 22 S CA 1.008 59.175 58.200 -0.055 0.000 0.988 22 S CB -0.297 62.847 63.200 -0.093 0.000 0.838 22 S HN 0.364 nan 8.310 nan 0.000 0.462 23 C N 1.329 120.618 119.300 -0.018 0.000 2.440 23 C HA 0.064 4.525 4.460 0.002 0.000 0.278 23 C C 2.478 177.531 174.990 0.105 0.000 1.295 23 C CA 0.339 59.387 59.018 0.050 0.000 1.738 23 C CB -1.485 26.317 27.740 0.104 0.000 1.987 23 C HN 0.520 nan 8.230 nan 0.000 0.492 24 L N -0.033 121.242 121.223 0.086 0.000 2.017 24 L HA -0.161 4.180 4.340 0.002 0.000 0.208 24 L C 2.546 179.528 176.870 0.186 0.000 1.073 24 L CA 1.128 56.050 54.840 0.137 0.000 0.745 24 L CB -0.663 41.461 42.059 0.108 0.000 0.894 24 L HN 0.283 nan 8.230 nan 0.000 0.432 25 L N -0.379 120.923 121.223 0.132 0.000 2.046 25 L HA -0.209 4.132 4.340 0.002 0.000 0.208 25 L C 2.308 179.184 176.870 0.011 0.000 1.077 25 L CA 1.635 56.516 54.840 0.069 0.000 0.747 25 L CB -0.453 41.618 42.059 0.020 0.000 0.896 25 L HN 0.117 nan 8.230 nan 0.000 0.432 26 L N -0.907 120.321 121.223 0.007 0.000 2.042 26 L HA -0.260 4.081 4.340 0.002 0.000 0.210 26 L C 2.785 179.660 176.870 0.009 0.000 1.076 26 L CA 1.551 56.384 54.840 -0.012 0.000 0.749 26 L CB -0.407 41.647 42.059 -0.008 0.000 0.893 26 L HN 0.321 nan 8.230 nan 0.000 0.432 27 R N -0.033 120.508 120.500 0.068 0.000 2.073 27 R HA -0.231 4.111 4.340 0.002 0.000 0.234 27 R C 2.162 178.493 176.300 0.052 0.000 1.134 27 R CA 1.807 57.953 56.100 0.077 0.000 0.952 27 R CB -0.867 29.500 30.300 0.111 0.000 0.850 27 R HN 0.237 nan 8.270 nan 0.000 0.433 28 F N 0.265 120.145 119.950 -0.117 0.000 2.163 28 F HA 0.135 4.657 4.527 -0.008 0.000 0.297 28 F C 1.913 177.558 175.800 -0.259 0.000 1.094 28 F CA 1.520 59.375 58.000 -0.242 0.000 1.290 28 F CB -0.542 38.122 39.000 -0.560 0.000 1.017 28 F HN 0.140 nan 8.300 nan 0.000 0.483 29 A N -1.098 121.529 122.820 -0.322 0.000 1.984 29 A HA 0.055 4.376 4.320 0.002 0.000 0.214 29 A C 1.369 178.790 177.584 -0.271 0.000 1.173 29 A CA 1.407 53.206 52.037 -0.395 0.000 0.673 29 A CB -0.291 18.535 19.000 -0.291 0.000 0.830 29 A HN 0.380 nan 8.150 nan 0.000 0.453 30 D N -1.456 118.840 120.400 -0.174 0.000 2.500 30 D HA 0.110 4.752 4.640 0.002 0.000 0.217 30 D C -0.389 175.858 176.300 -0.088 0.000 1.159 30 D CA 0.351 54.278 54.000 -0.122 0.000 0.828 30 D CB 0.256 41.004 40.800 -0.087 0.000 1.039 30 D HN 0.254 nan 8.370 nan 0.000 0.512 31 D N 1.320 121.671 120.400 -0.082 0.000 2.686 31 D HA -0.162 4.480 4.640 0.002 0.000 0.235 31 D C -0.554 175.743 176.300 -0.005 0.000 1.160 31 D CA 1.200 55.176 54.000 -0.040 0.000 0.645 31 D CB -0.927 39.841 40.800 -0.053 0.000 1.039 31 D HN 0.320 nan 8.370 nan 0.000 0.423 32 T N -2.446 112.117 114.554 0.015 0.000 2.916 32 T HA 0.666 5.017 4.350 0.002 0.000 0.292 32 T C -0.832 173.941 174.700 0.122 0.000 1.064 32 T CA -0.980 61.147 62.100 0.046 0.000 1.011 32 T CB 2.304 71.175 68.868 0.005 0.000 1.152 32 T HN 0.189 nan 8.240 nan 0.000 0.510 33 Y N -0.075 120.212 120.300 -0.022 0.000 2.519 33 Y HA 0.617 5.171 4.550 0.006 0.000 0.336 33 Y C -0.963 174.929 175.900 -0.014 0.000 1.089 33 Y CA -0.527 57.563 58.100 -0.017 0.000 1.025 33 Y CB 2.338 40.791 38.460 -0.012 0.000 1.318 33 Y HN 1.088 nan 8.280 nan 0.000 0.452 34 T N 3.995 118.087 114.554 -0.771 0.000 2.893 34 T HA 0.331 4.683 4.350 0.002 0.000 0.293 34 T C 0.004 174.212 174.700 -0.820 0.000 1.027 34 T CA -0.492 61.251 62.100 -0.594 0.000 0.988 34 T CB 1.378 70.073 68.868 -0.289 0.000 1.043 34 T HN 0.810 nan 8.240 nan 0.000 0.461 35 E N 1.945 121.899 120.200 -0.409 0.000 2.442 35 E HA 0.129 4.480 4.350 0.002 0.000 0.195 35 E C 0.519 177.062 176.600 -0.094 0.000 1.030 35 E CA 0.074 56.354 56.400 -0.201 0.000 0.869 35 E CB 0.364 30.065 29.700 0.001 0.000 0.857 35 E HN 0.486 nan 8.360 nan 0.000 0.505 36 S N 0.670 116.309 115.700 -0.101 0.000 2.585 36 S HA 0.094 4.565 4.470 0.002 0.000 0.273 36 S C -0.407 174.210 174.600 0.027 0.000 1.339 36 S CA -0.245 57.947 58.200 -0.012 0.000 1.028 36 S CB 0.434 63.623 63.200 -0.018 0.000 0.906 36 S HN 0.168 nan 8.310 nan 0.000 0.528 37 Y N 2.827 123.104 120.300 -0.039 0.000 2.417 37 Y HA 0.538 5.090 4.550 0.003 0.000 0.336 37 Y C -0.751 175.142 175.900 -0.012 0.000 0.961 37 Y CA -0.797 57.291 58.100 -0.021 0.000 1.215 37 Y CB 0.161 38.621 38.460 0.001 0.000 1.120 37 Y HN 0.460 nan 8.280 nan 0.000 0.499 38 I N 5.198 125.799 120.570 0.051 0.000 2.476 38 I HA 0.204 4.375 4.170 0.002 0.000 0.281 38 I C -0.123 175.984 176.117 -0.016 0.000 1.040 38 I CA -0.631 60.712 61.300 0.071 0.000 1.094 38 I CB 1.517 39.530 38.000 0.021 0.000 1.219 38 I HN 0.443 nan 8.210 nan 0.000 0.450 39 S N 3.530 119.273 115.700 0.071 0.000 2.560 39 S HA 0.111 4.582 4.470 0.002 0.000 0.284 39 S C 0.456 175.048 174.600 -0.013 0.000 1.327 39 S CA -0.063 58.152 58.200 0.025 0.000 1.055 39 S CB 0.567 63.873 63.200 0.177 0.000 0.868 39 S HN 0.532 nan 8.310 nan 0.000 0.506 40 T N 4.401 118.912 114.554 -0.072 0.000 2.870 40 T HA 0.200 4.551 4.350 0.002 0.000 0.300 40 T C 0.151 174.688 174.700 -0.272 0.000 0.989 40 T CA -0.204 61.816 62.100 -0.135 0.000 1.139 40 T CB 0.014 68.801 68.868 -0.136 0.000 0.920 40 T HN 0.272 nan 8.240 nan 0.000 0.537 41 I N 3.927 124.306 120.570 -0.319 0.000 2.307 41 I HA 0.390 4.561 4.170 0.002 0.000 0.289 41 I C 1.332 177.056 176.117 -0.656 0.000 1.021 41 I CA 0.263 61.206 61.300 -0.594 0.000 1.224 41 I CB -0.253 37.633 38.000 -0.190 0.000 1.376 41 I HN 0.962 nan 8.210 nan 0.000 0.470 42 G N 6.409 114.502 108.800 -1.179 0.000 2.543 42 G HA2 -0.170 3.791 3.960 0.002 0.000 0.286 42 G HA3 -0.170 3.791 3.960 0.002 0.000 0.286 42 G C -0.142 174.612 174.900 -0.244 0.000 1.153 42 G CA 0.224 45.062 45.100 -0.437 0.000 0.968 42 G HN 1.072 nan 8.290 nan 0.000 0.544 43 V N -2.066 117.765 119.914 -0.138 0.000 2.686 43 V HA 0.796 4.918 4.120 0.002 0.000 0.306 43 V C -1.174 174.896 176.094 -0.040 0.000 1.065 43 V CA -0.705 61.519 62.300 -0.127 0.000 0.894 43 V CB 1.932 33.549 31.823 -0.342 0.000 1.004 43 V HN 0.707 nan 8.190 nan 0.000 0.424 44 D N 2.908 123.301 120.400 -0.011 0.000 2.268 44 D HA 0.699 5.340 4.640 0.002 0.000 0.249 44 D C -1.115 175.226 176.300 0.068 0.000 1.008 44 D CA -0.011 54.003 54.000 0.024 0.000 0.939 44 D CB 2.273 43.057 40.800 -0.027 0.000 1.170 44 D HN 0.685 nan 8.370 nan 0.000 0.468 45 F N 0.406 120.253 119.950 -0.172 0.000 2.556 45 F HA 0.466 4.996 4.527 0.005 0.000 0.314 45 F C -0.900 174.735 175.800 -0.275 0.000 1.106 45 F CA -0.515 57.275 58.000 -0.350 0.000 0.911 45 F CB 1.328 40.105 39.000 -0.371 0.000 1.190 45 F HN -0.001 nan 8.300 nan 0.000 0.448 46 K N 6.413 126.216 120.400 -0.994 0.000 2.509 46 K HA 0.604 4.925 4.320 0.002 0.000 0.266 46 K C -1.371 174.610 176.600 -1.033 0.000 0.987 46 K CA -1.002 54.804 56.287 -0.801 0.000 0.868 46 K CB 3.154 35.404 32.500 -0.418 0.000 1.421 46 K HN 0.744 nan 8.250 nan 0.000 0.444 47 I N -1.421 118.765 120.570 -0.640 0.000 2.648 47 I HA 0.716 4.887 4.170 0.002 0.000 0.304 47 I C -0.786 175.139 176.117 -0.320 0.000 1.009 47 I CA -0.819 60.206 61.300 -0.458 0.000 1.114 47 I CB 2.087 39.907 38.000 -0.300 0.000 1.293 47 I HN 0.579 nan 8.210 nan 0.000 0.449 48 R N 2.601 122.951 120.500 -0.251 0.000 2.535 48 R HA 0.502 4.843 4.340 0.002 0.000 0.274 48 R C -1.667 174.556 176.300 -0.128 0.000 1.090 48 R CA -0.255 55.685 56.100 -0.266 0.000 0.930 48 R CB 2.235 32.224 30.300 -0.517 0.000 1.223 48 R HN 0.856 nan 8.270 nan 0.000 0.441 49 T N 5.730 120.232 114.554 -0.086 0.000 2.795 49 T HA 0.540 4.892 4.350 0.002 0.000 0.282 49 T C -0.021 174.678 174.700 -0.002 0.000 0.980 49 T CA -0.520 61.599 62.100 0.030 0.000 1.012 49 T CB 0.493 69.456 68.868 0.158 0.000 0.936 49 T HN 0.524 nan 8.240 nan 0.000 0.457 50 I N -0.350 120.247 120.570 0.046 0.000 3.002 50 I HA 0.900 5.071 4.170 0.002 0.000 0.310 50 I C -0.800 175.341 176.117 0.039 0.000 1.087 50 I CA -1.356 59.974 61.300 0.050 0.000 1.017 50 I CB 2.335 40.413 38.000 0.130 0.000 1.226 50 I HN 0.323 nan 8.210 nan 0.000 0.443 51 E N 2.981 123.199 120.200 0.030 0.000 2.158 51 E HA 0.661 5.012 4.350 0.002 0.000 0.271 51 E C -1.837 174.786 176.600 0.040 0.000 0.911 51 E CA -0.531 55.882 56.400 0.021 0.000 0.767 51 E CB 1.832 31.532 29.700 -0.000 0.000 1.120 51 E HN 0.649 nan 8.360 nan 0.000 0.405 52 L N 4.137 125.389 121.223 0.048 0.000 2.438 52 L HA 0.447 4.788 4.340 0.002 0.000 0.270 52 L C -1.153 175.750 176.870 0.055 0.000 0.972 52 L CA -0.167 54.706 54.840 0.055 0.000 0.831 52 L CB 1.690 43.791 42.059 0.070 0.000 1.273 52 L HN 0.622 nan 8.230 nan 0.000 0.405 53 D N 4.313 124.739 120.400 0.043 0.000 2.708 53 D HA -0.189 4.452 4.640 0.002 0.000 0.236 53 D C 1.064 177.390 176.300 0.043 0.000 1.146 53 D CA 1.629 55.654 54.000 0.042 0.000 0.662 53 D CB -1.177 39.653 40.800 0.049 0.000 1.059 53 D HN 1.320 nan 8.370 nan 0.000 0.428 54 G N -1.049 107.769 108.800 0.031 0.000 2.168 54 G HA2 -0.354 3.607 3.960 0.002 0.000 0.257 54 G HA3 -0.354 3.607 3.960 0.002 0.000 0.257 54 G C 0.197 175.112 174.900 0.025 0.000 0.997 54 G CA 0.761 45.873 45.100 0.020 0.000 0.708 54 G HN 0.375 nan 8.290 nan 0.000 0.520 55 K N 0.333 120.762 120.400 0.048 0.000 2.259 55 K HA 0.640 4.961 4.320 0.002 0.000 0.249 55 K C -0.225 176.401 176.600 0.043 0.000 0.942 55 K CA -0.462 55.866 56.287 0.068 0.000 0.816 55 K CB 1.694 34.310 32.500 0.193 0.000 1.155 55 K HN 0.083 nan 8.250 nan 0.000 0.428 56 T N 2.652 117.207 114.554 0.002 0.000 2.749 56 T HA 0.549 4.900 4.350 0.002 0.000 0.287 56 T C 0.367 175.105 174.700 0.063 0.000 0.970 56 T CA -0.491 61.595 62.100 -0.022 0.000 0.980 56 T CB 0.363 69.126 68.868 -0.175 0.000 0.924 56 T HN 0.308 nan 8.240 nan 0.000 0.456 57 I N 2.923 123.535 120.570 0.071 0.000 2.418 57 I HA 0.400 4.571 4.170 0.002 0.000 0.287 57 I C 0.076 176.220 176.117 0.046 0.000 1.008 57 I CA -0.972 60.321 61.300 -0.012 0.000 1.104 57 I CB 2.042 39.947 38.000 -0.159 0.000 1.264 57 I HN 0.375 nan 8.210 nan 0.000 0.438 58 K N 7.268 127.671 120.400 0.005 0.000 2.227 58 K HA 0.558 4.879 4.320 0.002 0.000 0.280 58 K C -1.242 175.316 176.600 -0.070 0.000 1.041 58 K CA -0.413 55.824 56.287 -0.083 0.000 0.905 58 K CB 0.778 33.038 32.500 -0.400 0.000 1.068 58 K HN 0.556 nan 8.250 nan 0.000 0.470 59 L N 4.797 126.007 121.223 -0.022 0.000 2.287 59 L HA 0.317 4.658 4.340 0.002 0.000 0.287 59 L C -0.182 176.642 176.870 -0.077 0.000 1.022 59 L CA -0.666 54.198 54.840 0.041 0.000 0.814 59 L CB 1.607 43.740 42.059 0.124 0.000 1.217 59 L HN 0.562 nan 8.230 nan 0.000 0.420 60 Q N 4.633 124.407 119.800 -0.044 0.000 2.331 60 Q HA 0.572 4.913 4.340 0.002 0.000 0.257 60 Q C -0.959 174.805 176.000 -0.393 0.000 0.957 60 Q CA -0.170 55.455 55.803 -0.296 0.000 0.923 60 Q CB 1.993 30.743 28.738 0.020 0.000 1.212 60 Q HN 0.541 nan 8.270 nan 0.000 0.443 61 I N 1.889 122.037 120.570 -0.703 0.000 2.418 61 I HA 0.366 4.538 4.170 0.002 0.000 0.287 61 I C -0.672 175.171 176.117 -0.457 0.000 1.008 61 I CA -0.756 60.350 61.300 -0.323 0.000 1.104 61 I CB 1.429 39.332 38.000 -0.163 0.000 1.264 61 I HN 0.414 nan 8.210 nan 0.000 0.438 62 W N 4.528 125.837 121.300 0.016 0.000 2.391 62 W HA 0.247 4.909 4.660 0.003 0.000 0.311 62 W C -0.347 176.130 176.519 -0.069 0.000 1.087 62 W CA -0.314 57.026 57.345 -0.008 0.000 1.209 62 W CB 1.762 31.194 29.460 -0.047 0.000 1.273 62 W HN 0.427 nan 8.180 nan 0.000 0.482 63 D N 2.796 123.245 120.400 0.081 0.000 2.392 63 D HA 0.197 4.838 4.640 0.002 0.000 0.228 63 D C 0.019 176.308 176.300 -0.019 0.000 1.074 63 D CA -0.025 53.981 54.000 0.009 0.000 0.838 63 D CB 1.105 41.888 40.800 -0.028 0.000 1.067 63 D HN 0.172 nan 8.370 nan 0.000 0.511 64 T N 0.733 115.266 114.554 -0.036 0.000 2.922 64 T HA 0.694 5.045 4.350 0.002 0.000 0.285 64 T C 0.494 175.166 174.700 -0.045 0.000 1.005 64 T CA -0.975 61.106 62.100 -0.033 0.000 1.061 64 T CB 1.473 70.349 68.868 0.014 0.000 1.007 64 T HN 0.446 nan 8.240 nan 0.000 0.502 65 A N 1.286 124.079 122.820 -0.046 0.000 2.488 65 A HA 0.529 4.850 4.320 0.002 0.000 0.249 65 A C 1.517 179.191 177.584 0.151 0.000 1.083 65 A CA -0.140 51.890 52.037 -0.012 0.000 0.768 65 A CB -0.395 18.478 19.000 -0.212 0.000 1.017 65 A HN 1.186 nan 8.150 nan 0.000 0.496 66 G N 1.362 110.258 108.800 0.160 0.000 2.623 66 G HA2 0.078 4.040 3.960 0.002 0.000 0.214 66 G HA3 0.078 4.040 3.960 0.002 0.000 0.214 66 G C 0.663 175.804 174.900 0.402 0.000 1.138 66 G CA 0.024 45.290 45.100 0.277 0.000 0.794 66 G HN 0.800 nan 8.290 nan 0.000 0.535 67 Q N 0.006 120.036 119.800 0.383 0.000 2.364 67 Q HA 0.155 4.496 4.340 0.002 0.000 0.267 67 Q C 1.176 177.351 176.000 0.292 0.000 0.999 67 Q CA -0.260 55.748 55.803 0.341 0.000 0.886 67 Q CB 1.239 30.193 28.738 0.360 0.000 1.243 67 Q HN 0.223 nan 8.270 nan 0.000 0.415 68 E N 2.623 122.920 120.200 0.161 0.000 2.118 68 E HA -0.239 4.112 4.350 0.002 0.000 0.195 68 E C 1.566 178.175 176.600 0.016 0.000 0.992 68 E CA 1.713 58.165 56.400 0.086 0.000 0.804 68 E CB 0.084 29.802 29.700 0.030 0.000 0.741 68 E HN 0.600 nan 8.360 nan 0.000 0.458 69 R N -0.748 119.686 120.500 -0.110 0.000 2.316 69 R HA -0.043 4.299 4.340 0.002 0.000 0.202 69 R C 0.684 176.765 176.300 -0.365 0.000 1.029 69 R CA 0.936 56.867 56.100 -0.282 0.000 1.018 69 R CB -0.337 29.709 30.300 -0.422 0.000 0.888 69 R HN 0.160 nan 8.270 nan 0.000 0.471 70 F N 0.309 120.312 119.950 0.087 0.000 2.653 70 F HA 0.413 4.942 4.527 0.003 0.000 0.304 70 F C 1.919 177.782 175.800 0.104 0.000 1.092 70 F CA -0.565 57.492 58.000 0.094 0.000 1.279 70 F CB 0.298 39.363 39.000 0.108 0.000 1.044 70 F HN -0.147 nan 8.300 nan 0.000 0.564 71 R N -0.103 120.528 120.500 0.217 0.000 2.119 71 R HA -0.069 4.272 4.340 0.002 0.000 0.222 71 R C 2.314 178.666 176.300 0.087 0.000 1.088 71 R CA 1.799 58.019 56.100 0.200 0.000 0.984 71 R CB -0.545 29.847 30.300 0.155 0.000 0.884 71 R HN 0.339 nan 8.270 nan 0.000 0.447 72 T N -0.848 113.725 114.554 0.032 0.000 2.857 72 T HA -0.033 4.319 4.350 0.002 0.000 0.266 72 T C 1.958 176.632 174.700 -0.044 0.000 1.048 72 T CA 0.811 62.876 62.100 -0.059 0.000 1.139 72 T CB -0.217 68.623 68.868 -0.047 0.000 0.874 72 T HN 0.077 nan 8.240 nan 0.000 0.455 73 I N 2.590 123.201 120.570 0.068 0.000 2.202 73 I HA -0.153 4.018 4.170 0.002 0.000 0.242 73 I C 3.170 179.405 176.117 0.196 0.000 1.091 73 I CA 1.735 63.107 61.300 0.120 0.000 1.368 73 I CB -0.772 37.353 38.000 0.208 0.000 1.058 73 I HN 0.470 nan 8.210 nan 0.000 0.410 74 T N -1.376 113.329 114.554 0.251 0.000 2.803 74 T HA -0.189 4.162 4.350 0.002 0.000 0.269 74 T C 1.976 176.900 174.700 0.373 0.000 1.052 74 T CA 1.420 63.732 62.100 0.353 0.000 1.136 74 T CB -0.819 68.261 68.868 0.355 0.000 0.864 74 T HN 0.476 nan 8.240 nan 0.000 0.467 75 S N 2.511 118.224 115.700 0.022 0.000 2.419 75 S HA -0.181 4.290 4.470 0.002 0.000 0.235 75 S C 2.287 176.766 174.600 -0.202 0.000 1.019 75 S CA 1.383 59.319 58.200 -0.440 0.000 0.982 75 S CB -1.154 61.376 63.200 -1.116 0.000 0.789 75 S HN 0.842 nan 8.310 nan 0.000 0.490 76 S N 0.525 116.149 115.700 -0.127 0.000 2.419 76 S HA -0.093 4.378 4.470 0.002 0.000 0.233 76 S C 1.445 175.842 174.600 -0.338 0.000 1.016 76 S CA 0.736 58.780 58.200 -0.259 0.000 0.974 76 S CB -0.938 62.036 63.200 -0.377 0.000 0.786 76 S HN 0.685 nan 8.310 nan 0.000 0.492 77 Y N -0.449 119.823 120.300 -0.046 0.000 2.500 77 Y HA 0.302 4.854 4.550 0.003 0.000 0.270 77 Y C 1.807 177.657 175.900 -0.083 0.000 1.134 77 Y CA -0.233 57.743 58.100 -0.208 0.000 1.293 77 Y CB -0.358 37.881 38.460 -0.368 0.000 1.063 77 Y HN 0.170 nan 8.280 nan 0.000 0.534 78 Y N -0.015 120.291 120.300 0.010 0.000 2.181 78 Y HA -0.197 4.355 4.550 0.004 0.000 0.288 78 Y C 2.597 178.501 175.900 0.007 0.000 1.146 78 Y CA 1.111 59.244 58.100 0.056 0.000 1.164 78 Y CB -0.428 38.122 38.460 0.150 0.000 0.982 78 Y HN -0.009 nan 8.280 nan 0.000 0.515 79 R N -0.133 120.453 120.500 0.143 0.000 2.120 79 R HA -0.130 4.212 4.340 0.002 0.000 0.234 79 R C 2.288 178.571 176.300 -0.029 0.000 1.123 79 R CA 1.266 57.398 56.100 0.053 0.000 0.975 79 R CB -0.708 29.606 30.300 0.022 0.000 0.866 79 R HN 0.457 nan 8.270 nan 0.000 0.446 80 G N -0.046 108.706 108.800 -0.080 0.000 2.572 80 G HA2 0.004 3.965 3.960 0.002 0.000 0.216 80 G HA3 0.004 3.965 3.960 0.002 0.000 0.216 80 G C 0.300 175.113 174.900 -0.145 0.000 1.133 80 G CA 0.387 45.414 45.100 -0.121 0.000 0.791 80 G HN 0.425 nan 8.290 nan 0.000 0.538 81 A N -0.044 122.723 122.820 -0.088 0.000 2.477 81 A HA 0.422 4.743 4.320 0.002 0.000 0.246 81 A C 0.790 178.289 177.584 -0.140 0.000 1.078 81 A CA -0.078 51.939 52.037 -0.034 0.000 0.770 81 A CB 0.200 19.201 19.000 0.002 0.000 1.011 81 A HN 0.476 nan 8.150 nan 0.000 0.494 82 H N 1.489 120.598 119.070 0.065 0.000 2.448 82 H HA 0.285 4.843 4.556 0.003 0.000 0.292 82 H C 1.207 176.495 175.328 -0.067 0.000 1.035 82 H CA 1.344 57.371 56.048 -0.035 0.000 1.349 82 H CB 0.456 30.136 29.762 -0.137 0.000 1.425 82 H HN 0.752 nan 8.280 nan 0.000 0.539 83 G N -0.194 108.659 108.800 0.089 0.000 2.682 83 G HA2 0.555 4.516 3.960 0.002 0.000 0.300 83 G HA3 0.555 4.516 3.960 0.002 0.000 0.300 83 G C -1.304 173.605 174.900 0.014 0.000 1.391 83 G CA -0.608 44.506 45.100 0.023 0.000 0.990 83 G HN 0.083 nan 8.290 nan 0.000 0.501 84 I N 2.054 122.608 120.570 -0.026 0.000 2.466 84 I HA 0.384 4.555 4.170 0.002 0.000 0.289 84 I C -0.512 175.562 176.117 -0.072 0.000 1.026 84 I CA -0.721 60.542 61.300 -0.062 0.000 1.078 84 I CB 2.246 40.196 38.000 -0.083 0.000 1.249 84 I HN 0.219 nan 8.210 nan 0.000 0.429 85 I N 6.691 127.195 120.570 -0.111 0.000 2.312 85 I HA 0.287 4.458 4.170 0.002 0.000 0.290 85 I C -0.331 175.714 176.117 -0.120 0.000 1.008 85 I CA -0.773 60.440 61.300 -0.144 0.000 1.226 85 I CB 1.530 39.377 38.000 -0.255 0.000 1.371 85 I HN 0.197 nan 8.210 nan 0.000 0.468 86 V N 7.693 127.575 119.914 -0.053 0.000 2.383 86 V HA 0.311 4.432 4.120 0.002 0.000 0.275 86 V C 0.148 176.250 176.094 0.014 0.000 1.036 86 V CA -0.557 61.727 62.300 -0.026 0.000 0.889 86 V CB 1.541 33.428 31.823 0.107 0.000 0.985 86 V HN 0.395 nan 8.190 nan 0.000 0.459 87 V N 6.397 126.272 119.914 -0.065 0.000 2.513 87 V HA 0.587 4.708 4.120 0.002 0.000 0.299 87 V C -0.544 175.601 176.094 0.086 0.000 1.035 87 V CA -0.703 61.573 62.300 -0.039 0.000 0.889 87 V CB 1.396 33.145 31.823 -0.123 0.000 0.988 87 V HN 0.867 nan 8.190 nan 0.000 0.440 88 Y N 0.898 121.240 120.300 0.070 0.000 2.633 88 Y HA 0.839 5.391 4.550 0.004 0.000 0.339 88 Y C -0.765 175.197 175.900 0.103 0.000 1.045 88 Y CA -1.546 56.628 58.100 0.123 0.000 1.098 88 Y CB 1.497 40.096 38.460 0.232 0.000 1.296 88 Y HN 0.528 nan 8.280 nan 0.000 0.494 89 D N 1.187 121.710 120.400 0.204 0.000 2.303 89 D HA 0.182 4.824 4.640 0.002 0.000 0.236 89 D C 0.824 177.249 176.300 0.208 0.000 1.068 89 D CA -0.603 53.451 54.000 0.091 0.000 0.830 89 D CB 2.061 42.938 40.800 0.129 0.000 1.109 89 D HN 0.714 nan 8.370 nan 0.000 0.496 90 V N 2.109 122.067 119.914 0.073 0.000 3.078 90 V HA -0.072 4.049 4.120 0.002 0.000 0.265 90 V C 1.512 177.688 176.094 0.136 0.000 1.122 90 V CA 1.964 64.369 62.300 0.175 0.000 1.141 90 V CB -1.280 30.587 31.823 0.074 0.000 0.735 90 V HN 0.696 nan 8.190 nan 0.000 0.498 91 T N -3.732 110.887 114.554 0.108 0.000 3.107 91 T HA 0.125 4.476 4.350 0.002 0.000 0.249 91 T C 0.560 175.323 174.700 0.105 0.000 1.096 91 T CA 0.470 62.623 62.100 0.089 0.000 1.012 91 T CB -0.239 68.671 68.868 0.071 0.000 0.977 91 T HN 0.590 nan 8.240 nan 0.000 0.527 92 D N 0.815 121.304 120.400 0.147 0.000 2.375 92 D HA 0.206 4.847 4.640 0.002 0.000 0.259 92 D C 0.700 177.103 176.300 0.172 0.000 1.235 92 D CA -0.259 53.831 54.000 0.150 0.000 0.924 92 D CB 1.810 42.710 40.800 0.166 0.000 1.143 92 D HN 0.028 nan 8.370 nan 0.000 0.529 93 Q N 1.994 121.868 119.800 0.124 0.000 2.112 93 Q HA -0.231 4.110 4.340 0.002 0.000 0.206 93 Q C 1.539 177.617 176.000 0.129 0.000 0.987 93 Q CA 1.866 57.740 55.803 0.118 0.000 0.858 93 Q CB 0.132 28.914 28.738 0.072 0.000 0.905 93 Q HN 0.471 nan 8.270 nan 0.000 0.420 94 E N -0.633 119.632 120.200 0.107 0.000 2.110 94 E HA -0.152 4.199 4.350 0.002 0.000 0.193 94 E C 1.813 178.484 176.600 0.120 0.000 0.988 94 E CA 1.498 57.951 56.400 0.088 0.000 0.804 94 E CB -0.383 29.364 29.700 0.079 0.000 0.745 94 E HN 0.467 nan 8.360 nan 0.000 0.458 95 S N -0.877 114.934 115.700 0.185 0.000 2.382 95 S HA -0.229 4.242 4.470 0.002 0.000 0.228 95 S C 2.146 176.894 174.600 0.246 0.000 1.027 95 S CA 1.145 59.497 58.200 0.254 0.000 0.991 95 S CB -0.770 62.608 63.200 0.297 0.000 0.823 95 S HN 0.497 nan 8.310 nan 0.000 0.469 96 Y N 2.486 122.801 120.300 0.025 0.000 2.220 96 Y HA 0.235 4.786 4.550 0.002 0.000 0.291 96 Y C 2.613 178.371 175.900 -0.237 0.000 1.129 96 Y CA 0.620 58.550 58.100 -0.284 0.000 1.161 96 Y CB -0.948 37.218 38.460 -0.490 0.000 0.997 96 Y HN 0.328 nan 8.280 nan 0.000 0.522 97 A N 0.491 123.191 122.820 -0.201 0.000 1.933 97 A HA -0.209 4.112 4.320 0.002 0.000 0.218 97 A C 1.883 179.341 177.584 -0.210 0.000 1.175 97 A CA 1.844 53.725 52.037 -0.260 0.000 0.628 97 A CB -0.696 18.249 19.000 -0.092 0.000 0.814 97 A HN 0.564 nan 8.150 nan 0.000 0.444 98 N N 0.105 118.766 118.700 -0.066 0.000 2.550 98 N HA -0.032 4.710 4.740 0.002 0.000 0.186 98 N C 1.462 177.022 175.510 0.084 0.000 1.110 98 N CA 0.821 53.868 53.050 -0.005 0.000 0.912 98 N CB -0.196 38.350 38.487 0.098 0.000 0.968 98 N HN 0.276 nan 8.380 nan 0.000 0.448 99 V N 1.459 121.389 119.914 0.027 0.000 2.324 99 V HA -0.273 3.849 4.120 0.002 0.000 0.250 99 V C 2.216 178.389 176.094 0.132 0.000 1.060 99 V CA 1.558 63.932 62.300 0.124 0.000 1.042 99 V CB -0.312 31.458 31.823 -0.088 0.000 0.650 99 V HN 0.337 nan 8.190 nan 0.000 0.450 100 K N -0.466 119.923 120.400 -0.019 0.000 2.063 100 K HA -0.220 4.101 4.320 0.002 0.000 0.208 100 K C 2.306 178.915 176.600 0.015 0.000 1.048 100 K CA 1.516 57.827 56.287 0.040 0.000 0.928 100 K CB -0.273 32.210 32.500 -0.028 0.000 0.713 100 K HN 0.519 nan 8.250 nan 0.000 0.442 101 Q N -0.179 119.574 119.800 -0.078 0.000 2.061 101 Q HA -0.197 4.145 4.340 0.002 0.000 0.204 101 Q C 2.078 177.989 176.000 -0.149 0.000 0.984 101 Q CA 1.684 57.374 55.803 -0.187 0.000 0.846 101 Q CB -0.468 28.040 28.738 -0.383 0.000 0.902 101 Q HN 0.500 nan 8.270 nan 0.000 0.421 102 W N 1.209 122.560 121.300 0.086 0.000 2.358 102 W HA -0.109 4.554 4.660 0.005 0.000 0.303 102 W C 2.260 178.870 176.519 0.150 0.000 1.208 102 W CA 0.328 57.757 57.345 0.140 0.000 1.274 102 W CB -0.413 29.132 29.460 0.141 0.000 1.138 102 W HN 0.065 nan 8.180 nan 0.000 0.515 103 L N 0.071 121.483 121.223 0.314 0.000 2.079 103 L HA -0.285 4.057 4.340 0.002 0.000 0.210 103 L C 2.634 179.587 176.870 0.140 0.000 1.081 103 L CA 1.543 56.511 54.840 0.214 0.000 0.752 103 L CB -0.985 41.175 42.059 0.170 0.000 0.896 103 L HN 0.145 nan 8.230 nan 0.000 0.433 104 Q N 0.027 119.877 119.800 0.084 0.000 2.096 104 Q HA -0.233 4.108 4.340 0.002 0.000 0.204 104 Q C 2.095 178.091 176.000 -0.007 0.000 0.982 104 Q CA 1.533 57.342 55.803 0.010 0.000 0.850 104 Q CB 0.118 28.833 28.738 -0.038 0.000 0.901 104 Q HN 0.421 nan 8.270 nan 0.000 0.422 105 E N 0.522 120.767 120.200 0.075 0.000 2.085 105 E HA -0.205 4.146 4.350 0.002 0.000 0.194 105 E C 2.088 178.793 176.600 0.176 0.000 0.994 105 E CA 1.213 57.682 56.400 0.114 0.000 0.801 105 E CB -0.323 29.565 29.700 0.313 0.000 0.743 105 E HN 0.526 nan 8.360 nan 0.000 0.453 106 I N 1.704 122.492 120.570 0.363 0.000 2.163 106 I HA -0.285 3.886 4.170 0.002 0.000 0.243 106 I C 1.977 178.183 176.117 0.148 0.000 1.085 106 I CA 1.339 62.856 61.300 0.362 0.000 1.347 106 I CB -0.341 37.826 38.000 0.279 0.000 1.044 106 I HN -0.029 nan 8.210 nan 0.000 0.408 107 D N 0.663 121.092 120.400 0.049 0.000 2.149 107 D HA -0.155 4.486 4.640 0.002 0.000 0.198 107 D C 2.347 178.570 176.300 -0.130 0.000 0.990 107 D CA 1.209 55.193 54.000 -0.028 0.000 0.839 107 D CB -0.234 40.543 40.800 -0.038 0.000 0.948 107 D HN 0.331 nan 8.370 nan 0.000 0.460 108 R N -0.787 119.539 120.500 -0.291 0.000 2.066 108 R HA -0.089 4.252 4.340 0.002 0.000 0.232 108 R C 1.910 177.814 176.300 -0.660 0.000 1.131 108 R CA 1.128 56.856 56.100 -0.620 0.000 0.955 108 R CB -0.147 29.482 30.300 -1.119 0.000 0.851 108 R HN 0.364 nan 8.270 nan 0.000 0.432 109 Y N -0.745 119.523 120.300 -0.053 0.000 2.535 109 Y HA 0.367 4.918 4.550 0.002 0.000 0.264 109 Y C 1.000 176.944 175.900 0.073 0.000 1.087 109 Y CA -0.503 57.563 58.100 -0.057 0.000 1.285 109 Y CB 0.449 38.745 38.460 -0.274 0.000 1.200 109 Y HN 0.011 nan 8.280 nan 0.000 0.514 110 A N 0.476 123.452 122.820 0.261 0.000 2.296 110 A HA 0.412 4.733 4.320 0.002 0.000 0.264 110 A C 0.473 178.118 177.584 0.101 0.000 1.097 110 A CA -0.410 51.760 52.037 0.222 0.000 0.811 110 A CB 0.074 19.209 19.000 0.225 0.000 1.072 110 A HN 0.156 nan 8.150 nan 0.000 0.495 111 S N -0.392 115.345 115.700 0.061 0.000 2.579 111 S HA 0.055 4.526 4.470 0.002 0.000 0.275 111 S C 1.120 175.733 174.600 0.021 0.000 1.345 111 S CA -0.119 58.095 58.200 0.023 0.000 1.031 111 S CB 0.675 63.871 63.200 -0.007 0.000 0.892 111 S HN 0.752 nan 8.310 nan 0.000 0.529 112 E N 1.399 121.605 120.200 0.012 0.000 2.204 112 E HA -0.157 4.194 4.350 0.002 0.000 0.194 112 E C 0.961 177.564 176.600 0.006 0.000 0.989 112 E CA 0.802 57.206 56.400 0.008 0.000 0.824 112 E CB -0.039 29.662 29.700 0.002 0.000 0.756 112 E HN 0.630 nan 8.360 nan 0.000 0.477 113 N N 0.328 119.031 118.700 0.004 0.000 2.295 113 N HA -0.026 4.715 4.740 0.002 0.000 0.221 113 N C -0.166 175.342 175.510 -0.003 0.000 1.129 113 N CA -0.093 52.958 53.050 0.001 0.000 0.836 113 N CB 0.246 38.735 38.487 0.004 0.000 1.040 113 N HN -0.119 nan 8.380 nan 0.000 0.494 114 V N 0.946 120.861 119.914 0.001 0.000 2.715 114 V HA 0.133 4.255 4.120 0.002 0.000 0.299 114 V C -0.026 176.063 176.094 -0.007 0.000 1.054 114 V CA -0.515 61.784 62.300 -0.001 0.000 1.077 114 V CB 0.504 32.336 31.823 0.015 0.000 0.972 114 V HN 0.356 nan 8.190 nan 0.000 0.484 115 N N 5.138 123.825 118.700 -0.021 0.000 2.524 115 N HA 0.401 5.142 4.740 0.002 0.000 0.283 115 N C -0.810 174.688 175.510 -0.021 0.000 1.142 115 N CA -0.289 52.742 53.050 -0.031 0.000 0.984 115 N CB 1.424 39.876 38.487 -0.060 0.000 1.155 115 N HN 0.640 nan 8.380 nan 0.000 0.467 116 K N 0.779 121.169 120.400 -0.017 0.000 2.443 116 K HA 0.610 4.932 4.320 0.002 0.000 0.251 116 K C -1.299 175.293 176.600 -0.013 0.000 0.972 116 K CA -0.740 55.544 56.287 -0.006 0.000 0.833 116 K CB 2.248 34.759 32.500 0.018 0.000 1.317 116 K HN 0.253 nan 8.250 nan 0.000 0.441 117 L N 1.930 123.144 121.223 -0.014 0.000 2.482 117 L HA 0.494 4.835 4.340 0.002 0.000 0.263 117 L C -2.097 174.796 176.870 0.038 0.000 0.957 117 L CA -0.825 54.008 54.840 -0.012 0.000 0.836 117 L CB 1.866 43.869 42.059 -0.094 0.000 1.324 117 L HN 0.566 nan 8.230 nan 0.000 0.406 118 L N 5.397 126.700 121.223 0.134 0.000 2.282 118 L HA 0.773 5.115 4.340 0.002 0.000 0.288 118 L C -1.241 175.749 176.870 0.199 0.000 1.033 118 L CA -0.169 54.834 54.840 0.271 0.000 0.807 118 L CB 1.621 43.975 42.059 0.492 0.000 1.209 118 L HN 0.449 nan 8.230 nan 0.000 0.423 119 V N 4.395 124.364 119.914 0.092 0.000 2.487 119 V HA 0.652 4.773 4.120 0.002 0.000 0.298 119 V C 0.446 176.363 176.094 -0.295 0.000 1.028 119 V CA -0.477 61.734 62.300 -0.147 0.000 0.860 119 V CB 1.660 33.352 31.823 -0.219 0.000 0.991 119 V HN 0.893 nan 8.190 nan 0.000 0.427 120 G N 2.983 111.483 108.800 -0.500 0.000 2.428 120 G HA2 0.402 4.363 3.960 0.002 0.000 0.320 120 G HA3 0.402 4.363 3.960 0.002 0.000 0.320 120 G C -0.394 174.198 174.900 -0.514 0.000 1.098 120 G CA -0.306 44.197 45.100 -0.995 0.000 0.984 120 G HN 0.631 nan 8.290 nan 0.000 0.444 121 N N 1.243 119.682 118.700 -0.435 0.000 2.458 121 N HA 0.319 5.061 4.740 0.002 0.000 0.271 121 N C 0.599 176.022 175.510 -0.144 0.000 1.210 121 N CA -0.546 52.367 53.050 -0.229 0.000 0.978 121 N CB 0.528 38.917 38.487 -0.164 0.000 1.206 121 N HN 0.497 nan 8.380 nan 0.000 0.536 122 K N -1.061 119.288 120.400 -0.085 0.000 3.167 122 K HA -0.167 4.154 4.320 0.002 0.000 0.272 122 K C 0.474 177.047 176.600 -0.044 0.000 1.137 122 K CA 0.743 57.005 56.287 -0.041 0.000 0.800 122 K CB -2.477 30.023 32.500 0.000 0.000 1.253 122 K HN 0.635 nan 8.250 nan 0.000 0.497 123 S N 0.489 116.148 115.700 -0.069 0.000 2.469 123 S HA -0.179 4.292 4.470 0.002 0.000 0.238 123 S C 1.496 176.073 174.600 -0.038 0.000 0.998 123 S CA 1.326 59.494 58.200 -0.053 0.000 0.957 123 S CB -0.195 62.963 63.200 -0.070 0.000 0.764 123 S HN 0.527 nan 8.310 nan 0.000 0.514 124 D N 1.527 121.899 120.400 -0.046 0.000 2.310 124 D HA -0.099 4.542 4.640 0.002 0.000 0.212 124 D C 0.872 177.161 176.300 -0.018 0.000 0.965 124 D CA 0.447 54.424 54.000 -0.039 0.000 0.879 124 D CB -0.338 40.426 40.800 -0.060 0.000 0.921 124 D HN 0.452 nan 8.370 nan 0.000 0.510 125 L N 2.496 123.715 121.223 -0.007 0.000 2.583 125 L HA 0.106 4.447 4.340 0.002 0.000 0.239 125 L C 1.828 178.704 176.870 0.010 0.000 1.347 125 L CA -0.258 54.587 54.840 0.008 0.000 1.246 125 L CB 0.060 42.132 42.059 0.022 0.000 1.496 125 L HN 0.042 nan 8.230 nan 0.000 0.413 126 T N -4.695 109.862 114.554 0.004 0.000 2.867 126 T HA -0.179 4.172 4.350 0.002 0.000 0.268 126 T C 1.829 176.535 174.700 0.011 0.000 1.057 126 T CA 1.582 63.685 62.100 0.006 0.000 1.136 126 T CB -0.327 68.543 68.868 0.002 0.000 0.874 126 T HN 0.550 nan 8.240 nan 0.000 0.466 127 T N -1.269 113.292 114.554 0.012 0.000 3.088 127 T HA 0.239 4.591 4.350 0.002 0.000 0.259 127 T C 1.476 176.186 174.700 0.017 0.000 1.122 127 T CA 0.233 62.340 62.100 0.013 0.000 1.095 127 T CB -0.211 68.664 68.868 0.012 0.000 0.930 127 T HN 0.379 nan 8.240 nan 0.000 0.508 128 K N 0.288 120.701 120.400 0.021 0.000 2.387 128 K HA 0.328 4.649 4.320 0.002 0.000 0.203 128 K C 0.297 176.916 176.600 0.032 0.000 1.030 128 K CA -0.235 56.069 56.287 0.027 0.000 1.099 128 K CB 0.623 33.143 32.500 0.033 0.000 0.863 128 K HN 0.242 nan 8.250 nan 0.000 0.529 129 K N 1.356 121.773 120.400 0.028 0.000 2.416 129 K HA 0.009 4.330 4.320 0.002 0.000 0.283 129 K C 0.783 177.399 176.600 0.028 0.000 1.037 129 K CA 0.040 56.347 56.287 0.033 0.000 0.995 129 K CB 0.683 33.200 32.500 0.028 0.000 0.938 129 K HN 0.005 nan 8.250 nan 0.000 0.475 130 V N 1.307 121.241 119.914 0.032 0.000 3.562 130 V HA 0.189 4.310 4.120 0.002 0.000 0.270 130 V C -0.007 176.076 176.094 -0.017 0.000 1.418 130 V CA -0.354 61.955 62.300 0.014 0.000 1.033 130 V CB 0.894 32.733 31.823 0.026 0.000 0.820 130 V HN 0.313 nan 8.190 nan 0.000 0.441 131 V N 3.266 123.170 119.914 -0.016 0.000 2.320 131 V HA 0.383 4.504 4.120 0.002 0.000 0.265 131 V C -0.094 175.938 176.094 -0.104 0.000 1.048 131 V CA -0.261 61.957 62.300 -0.137 0.000 0.865 131 V CB 0.587 32.294 31.823 -0.193 0.000 1.043 131 V HN 0.410 nan 8.190 nan 0.000 0.474 132 D N 4.430 124.752 120.400 -0.130 0.000 2.458 132 D HA -0.035 4.606 4.640 0.002 0.000 0.243 132 D C 1.398 177.650 176.300 -0.080 0.000 1.146 132 D CA 0.048 54.004 54.000 -0.074 0.000 0.877 132 D CB 0.956 41.713 40.800 -0.071 0.000 1.176 132 D HN 0.637 nan 8.370 nan 0.000 0.461 133 N N 2.156 120.862 118.700 0.010 0.000 2.331 133 N HA -0.193 4.548 4.740 0.002 0.000 0.180 133 N C 1.387 176.876 175.510 -0.035 0.000 1.019 133 N CA 1.610 54.698 53.050 0.064 0.000 0.881 133 N CB -0.759 37.860 38.487 0.220 0.000 0.972 133 N HN 0.491 nan 8.380 nan 0.000 0.435 134 T N -2.289 112.248 114.554 -0.027 0.000 2.821 134 T HA -0.092 4.259 4.350 0.002 0.000 0.267 134 T C 1.888 176.539 174.700 -0.080 0.000 1.046 134 T CA 1.850 63.926 62.100 -0.040 0.000 1.139 134 T CB -1.104 67.754 68.868 -0.015 0.000 0.871 134 T HN 0.143 nan 8.240 nan 0.000 0.454 135 T N 2.314 116.807 114.554 -0.102 0.000 2.652 135 T HA 0.038 4.389 4.350 0.002 0.000 0.267 135 T C 2.479 177.112 174.700 -0.113 0.000 1.039 135 T CA 1.532 63.571 62.100 -0.101 0.000 1.153 135 T CB -0.921 67.853 68.868 -0.156 0.000 0.863 135 T HN 0.617 nan 8.240 nan 0.000 0.428 136 A N 1.442 124.090 122.820 -0.286 0.000 1.930 136 A HA -0.083 4.238 4.320 0.002 0.000 0.217 136 A C 2.175 179.466 177.584 -0.489 0.000 1.175 136 A CA 2.092 53.933 52.037 -0.326 0.000 0.627 136 A CB -0.508 18.205 19.000 -0.479 0.000 0.815 136 A HN 0.478 nan 8.150 nan 0.000 0.443 137 K N 0.352 120.368 120.400 -0.640 0.000 2.057 137 K HA -0.135 4.187 4.320 0.002 0.000 0.206 137 K C 1.764 178.285 176.600 -0.132 0.000 1.050 137 K CA 1.851 57.876 56.287 -0.437 0.000 0.935 137 K CB -0.279 32.111 32.500 -0.183 0.000 0.715 137 K HN 0.582 nan 8.250 nan 0.000 0.439 138 E N -0.519 119.643 120.200 -0.062 0.000 2.077 138 E HA -0.194 4.157 4.350 0.002 0.000 0.193 138 E C 1.818 178.444 176.600 0.043 0.000 0.989 138 E CA 1.295 57.695 56.400 0.001 0.000 0.800 138 E CB -0.273 29.440 29.700 0.021 0.000 0.746 138 E HN 0.349 nan 8.360 nan 0.000 0.452 139 F N 1.565 121.478 119.950 -0.062 0.000 2.069 139 F HA -0.215 4.312 4.527 0.001 0.000 0.298 139 F C 2.230 178.012 175.800 -0.030 0.000 1.113 139 F CA 1.659 59.641 58.000 -0.030 0.000 1.214 139 F CB -0.425 38.586 39.000 0.017 0.000 0.978 139 F HN -0.057 nan 8.300 nan 0.000 0.474 140 A N -0.016 122.745 122.820 -0.097 0.000 1.902 140 A HA -0.177 4.145 4.320 0.002 0.000 0.217 140 A C 1.979 179.479 177.584 -0.140 0.000 1.181 140 A CA 1.879 53.829 52.037 -0.144 0.000 0.623 140 A CB -1.090 17.954 19.000 0.073 0.000 0.818 140 A HN 0.456 nan 8.150 nan 0.000 0.443 141 D N 0.236 120.588 120.400 -0.080 0.000 2.116 141 D HA -0.164 4.477 4.640 0.002 0.000 0.193 141 D C 2.410 178.654 176.300 -0.092 0.000 0.998 141 D CA 1.979 55.944 54.000 -0.058 0.000 0.836 141 D CB -0.475 40.308 40.800 -0.029 0.000 0.951 141 D HN 0.575 nan 8.370 nan 0.000 0.449 142 S N -0.348 115.275 115.700 -0.127 0.000 2.465 142 S HA -0.097 4.375 4.470 0.002 0.000 0.241 142 S C 1.776 176.271 174.600 -0.175 0.000 1.000 142 S CA 0.652 58.773 58.200 -0.131 0.000 0.964 142 S CB -0.286 62.847 63.200 -0.112 0.000 0.763 142 S HN 0.295 nan 8.310 nan 0.000 0.512 143 L N 0.277 121.359 121.223 -0.236 0.000 2.766 143 L HA 0.386 4.728 4.340 0.002 0.000 0.242 143 L C 1.486 178.281 176.870 -0.125 0.000 1.136 143 L CA 0.147 54.859 54.840 -0.212 0.000 0.933 143 L CB -0.289 41.574 42.059 -0.328 0.000 1.241 143 L HN 0.503 nan 8.230 nan 0.000 0.522 144 G N 2.000 110.743 108.800 -0.096 0.000 2.273 144 G HA2 -0.286 3.676 3.960 0.002 0.000 0.280 144 G HA3 -0.286 3.676 3.960 0.002 0.000 0.280 144 G C -0.082 174.793 174.900 -0.041 0.000 1.047 144 G CA 0.192 45.260 45.100 -0.054 0.000 0.869 144 G HN 0.329 nan 8.290 nan 0.000 0.502 145 I N 1.233 121.778 120.570 -0.043 0.000 2.441 145 I HA 0.376 4.547 4.170 0.002 0.000 0.295 145 I C -1.707 174.437 176.117 0.044 0.000 0.994 145 I CA -2.732 58.565 61.300 -0.005 0.000 1.144 145 I CB 2.108 40.103 38.000 -0.009 0.000 1.314 145 I HN -0.085 nan 8.210 nan 0.000 0.445 146 P HA 0.116 nan 4.420 nan 0.000 0.272 146 P C -1.121 176.283 177.300 0.173 0.000 1.223 146 P CA 0.037 63.187 63.100 0.083 0.000 0.784 146 P CB 0.659 32.375 31.700 0.026 0.000 0.923 147 F N 2.456 122.419 119.950 0.022 0.000 2.561 147 F HA 0.624 5.155 4.527 0.008 0.000 0.313 147 F C -1.807 174.008 175.800 0.024 0.000 1.126 147 F CA -0.877 57.155 58.000 0.054 0.000 0.918 147 F CB 1.239 40.297 39.000 0.098 0.000 1.199 147 F HN 0.121 nan 8.300 nan 0.000 0.444 148 L N 4.830 125.552 121.223 -0.834 0.000 2.434 148 L HA 0.467 4.808 4.340 0.002 0.000 0.260 148 L C -1.014 175.308 176.870 -0.913 0.000 0.983 148 L CA -0.785 53.595 54.840 -0.766 0.000 0.820 148 L CB 2.626 44.457 42.059 -0.379 0.000 1.361 148 L HN 0.576 nan 8.230 nan 0.000 0.410 149 E N 1.068 120.886 120.200 -0.637 0.000 2.191 149 E HA 0.510 4.861 4.350 0.002 0.000 0.278 149 E C -0.882 175.563 176.600 -0.259 0.000 0.972 149 E CA -0.424 55.735 56.400 -0.402 0.000 0.804 149 E CB 2.138 31.709 29.700 -0.215 0.000 1.110 149 E HN 0.599 nan 8.360 nan 0.000 0.394 150 T N -1.036 113.383 114.554 -0.224 0.000 2.916 150 T HA 0.530 4.882 4.350 0.002 0.000 0.292 150 T C -0.457 174.168 174.700 -0.125 0.000 1.064 150 T CA -0.921 61.082 62.100 -0.161 0.000 1.011 150 T CB 1.798 70.571 68.868 -0.159 0.000 1.152 150 T HN 0.212 nan 8.240 nan 0.000 0.510 151 S N -0.146 115.494 115.700 -0.100 0.000 2.774 151 S HA 0.585 5.056 4.470 0.002 0.000 0.297 151 S C 1.163 175.702 174.600 -0.102 0.000 1.143 151 S CA -0.196 57.943 58.200 -0.101 0.000 1.090 151 S CB 0.486 63.621 63.200 -0.109 0.000 1.019 151 S HN 1.100 nan 8.310 nan 0.000 0.482 152 A N 5.037 127.812 122.820 -0.075 0.000 1.972 152 A HA -0.051 4.270 4.320 0.002 0.000 0.219 152 A C 2.013 179.424 177.584 -0.288 0.000 1.169 152 A CA 1.694 53.703 52.037 -0.046 0.000 0.635 152 A CB -0.450 18.619 19.000 0.114 0.000 0.810 152 A HN 0.820 nan 8.150 nan 0.000 0.446 153 K N -0.515 119.554 120.400 -0.551 0.000 2.026 153 K HA -0.152 4.170 4.320 0.002 0.000 0.208 153 K C 0.952 177.227 176.600 -0.543 0.000 1.048 153 K CA 1.704 57.338 56.287 -1.088 0.000 0.929 153 K CB -0.120 31.933 32.500 -0.744 0.000 0.713 153 K HN 0.403 nan 8.250 nan 0.000 0.439 154 N N -0.550 117.973 118.700 -0.294 0.000 2.280 154 N HA 0.116 4.857 4.740 0.002 0.000 0.192 154 N C 0.101 175.542 175.510 -0.115 0.000 1.109 154 N CA 0.819 53.766 53.050 -0.171 0.000 0.855 154 N CB 1.144 39.557 38.487 -0.123 0.000 0.974 154 N HN 0.347 nan 8.380 nan 0.000 0.482 155 A N -0.988 121.765 122.820 -0.112 0.000 3.383 155 A HA -0.206 4.116 4.320 0.002 0.000 0.264 155 A C 0.565 178.128 177.584 -0.034 0.000 1.154 155 A CA 1.216 53.223 52.037 -0.049 0.000 1.179 155 A CB -2.651 16.332 19.000 -0.028 0.000 1.133 155 A HN 0.226 nan 8.150 nan 0.000 0.933 156 T N 1.431 115.951 114.554 -0.057 0.000 2.867 156 T HA 0.377 4.729 4.350 0.002 0.000 0.297 156 T C 1.073 175.741 174.700 -0.053 0.000 0.989 156 T CA 0.658 62.728 62.100 -0.051 0.000 1.159 156 T CB 0.263 69.094 68.868 -0.061 0.000 0.928 156 T HN 0.744 nan 8.240 nan 0.000 0.538 157 N N 1.099 119.774 118.700 -0.043 0.000 2.815 157 N HA -0.182 4.559 4.740 0.002 0.000 0.247 157 N C 1.133 176.618 175.510 -0.041 0.000 1.030 157 N CA 0.839 53.856 53.050 -0.055 0.000 0.881 157 N CB -1.568 36.857 38.487 -0.103 0.000 1.134 157 N HN 0.467 nan 8.380 nan 0.000 0.582 158 V N 0.735 120.655 119.914 0.011 0.000 2.270 158 V HA -0.173 3.948 4.120 0.002 0.000 0.245 158 V C 2.236 178.430 176.094 0.167 0.000 1.043 158 V CA 1.826 64.177 62.300 0.085 0.000 1.014 158 V CB -0.160 31.746 31.823 0.138 0.000 0.645 158 V HN 0.273 nan 8.190 nan 0.000 0.447 159 E N -0.027 120.284 120.200 0.185 0.000 2.058 159 E HA -0.286 4.065 4.350 0.002 0.000 0.194 159 E C 2.225 178.895 176.600 0.117 0.000 0.997 159 E CA 1.490 58.034 56.400 0.240 0.000 0.801 159 E CB -0.328 29.488 29.700 0.193 0.000 0.746 159 E HN 0.638 nan 8.360 nan 0.000 0.450 160 Q N 0.117 119.943 119.800 0.043 0.000 2.135 160 Q HA -0.152 4.189 4.340 0.002 0.000 0.204 160 Q C 2.084 178.042 176.000 -0.070 0.000 0.981 160 Q CA 1.398 57.197 55.803 -0.007 0.000 0.856 160 Q CB -0.052 28.669 28.738 -0.029 0.000 0.902 160 Q HN 0.219 nan 8.270 nan 0.000 0.425 161 A N 0.084 122.820 122.820 -0.141 0.000 1.883 161 A HA -0.190 4.131 4.320 0.002 0.000 0.217 161 A C 1.743 179.098 177.584 -0.382 0.000 1.186 161 A CA 1.420 53.281 52.037 -0.294 0.000 0.624 161 A CB -0.972 17.766 19.000 -0.436 0.000 0.822 161 A HN 0.434 nan 8.150 nan 0.000 0.444 162 F N -0.613 119.131 119.950 -0.343 0.000 2.146 162 F HA -0.140 4.384 4.527 -0.005 0.000 0.298 162 F C 2.675 178.366 175.800 -0.183 0.000 1.096 162 F CA 1.283 59.034 58.000 -0.415 0.000 1.275 162 F CB -0.305 38.034 39.000 -1.102 0.000 1.008 162 F HN 0.092 nan 8.300 nan 0.000 0.480 163 M N -0.005 119.632 119.600 0.061 0.000 2.117 163 M HA -0.157 4.324 4.480 0.002 0.000 0.262 163 M C 2.475 178.796 176.300 0.035 0.000 1.065 163 M CA 2.250 57.597 55.300 0.078 0.000 1.114 163 M CB -1.544 31.107 32.600 0.084 0.000 1.361 163 M HN 0.305 nan 8.290 nan 0.000 0.408 164 T N -1.472 113.072 114.554 -0.016 0.000 2.857 164 T HA -0.141 4.210 4.350 0.002 0.000 0.266 164 T C 1.718 176.400 174.700 -0.030 0.000 1.048 164 T CA 1.312 63.397 62.100 -0.025 0.000 1.139 164 T CB -0.408 68.433 68.868 -0.044 0.000 0.874 164 T HN 0.240 nan 8.240 nan 0.000 0.455 165 M N 2.757 122.323 119.600 -0.057 0.000 2.065 165 M HA 0.170 4.652 4.480 0.002 0.000 0.259 165 M C 2.503 178.804 176.300 0.002 0.000 1.069 165 M CA 1.933 57.201 55.300 -0.053 0.000 1.110 165 M CB -1.071 31.472 32.600 -0.095 0.000 1.328 165 M HN 0.314 nan 8.290 nan 0.000 0.405 166 A N -0.064 122.809 122.820 0.088 0.000 1.940 166 A HA 0.018 4.340 4.320 0.002 0.000 0.219 166 A C 2.413 180.078 177.584 0.136 0.000 1.176 166 A CA 2.209 54.374 52.037 0.213 0.000 0.631 166 A CB -1.524 17.652 19.000 0.292 0.000 0.814 166 A HN 0.727 nan 8.150 nan 0.000 0.446 167 A N -0.465 122.394 122.820 0.065 0.000 1.902 167 A HA -0.155 4.166 4.320 0.002 0.000 0.217 167 A C 1.961 179.535 177.584 -0.016 0.000 1.181 167 A CA 1.723 53.779 52.037 0.030 0.000 0.623 167 A CB -0.401 18.610 19.000 0.019 0.000 0.818 167 A HN 0.458 nan 8.150 nan 0.000 0.443 168 E N -0.059 120.119 120.200 -0.038 0.000 2.106 168 E HA -0.108 4.243 4.350 0.002 0.000 0.192 168 E C 1.982 178.511 176.600 -0.119 0.000 0.984 168 E CA 0.924 57.286 56.400 -0.062 0.000 0.806 168 E CB -0.412 29.255 29.700 -0.055 0.000 0.750 168 E HN 0.741 nan 8.360 nan 0.000 0.458 169 I N 1.173 121.624 120.570 -0.199 0.000 2.179 169 I HA -0.290 3.881 4.170 0.002 0.000 0.242 169 I C 2.623 178.509 176.117 -0.385 0.000 1.088 169 I CA 1.312 62.367 61.300 -0.408 0.000 1.357 169 I CB -0.244 37.216 38.000 -0.901 0.000 1.051 169 I HN 0.034 nan 8.210 nan 0.000 0.409 170 K N 1.484 121.739 120.400 -0.243 0.000 2.097 170 K HA -0.197 4.124 4.320 0.002 0.000 0.206 170 K C 2.093 178.616 176.600 -0.128 0.000 1.049 170 K CA 1.417 57.595 56.287 -0.182 0.000 0.933 170 K CB 0.027 32.453 32.500 -0.123 0.000 0.717 170 K HN 0.144 nan 8.250 nan 0.000 0.442 171 K N 0.398 120.748 120.400 -0.083 0.000 2.152 171 K HA -0.150 4.171 4.320 0.002 0.000 0.206 171 K C 1.427 178.004 176.600 -0.038 0.000 1.048 171 K CA 1.669 57.929 56.287 -0.045 0.000 0.933 171 K CB 0.007 32.488 32.500 -0.033 0.000 0.721 171 K HN 0.294 nan 8.250 nan 0.000 0.447 172 R N 0.829 121.292 120.500 -0.061 0.000 2.568 172 R HA 0.212 4.554 4.340 0.002 0.000 0.288 172 R C 0.471 176.756 176.300 -0.026 0.000 1.077 172 R CA -0.117 55.960 56.100 -0.039 0.000 1.102 172 R CB -0.227 30.047 30.300 -0.043 0.000 1.278 172 R HN 0.110 nan 8.270 nan 0.000 0.560 173 M N 0.000 119.589 119.600 -0.018 0.000 2.572 173 M HA 0.000 4.481 4.480 0.002 0.000 0.227 173 M CA 0.000 55.325 55.300 0.041 0.000 0.988 173 M CB 0.000 32.632 32.600 0.054 0.000 1.302 173 M HN 0.000 nan 8.290 nan 0.000 0.411