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 2b63_1_G DATA FIRST_RESID 1 DATA SEQUENCE MFFIKDLSLN ITLHPSFFGP RMKQYLKTKL LEEVEGSCTG KFGYILCVLD DATA SEQUENCE YDNIDIQRGR ILPTDGSAEF NVKYRAVVFK PFKGEVVDGT VVSCSQHGFE DATA SEQUENCE VQVGPMKVFV TKHLMPQDLT FNAGSNPPSY QSSEDVITIK SRIRVKIEGC DATA SEQUENCE ISQVSSIHAI GSIKEDYLGA I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.035 176.300 -0.441 0.000 1.140 1 M CA 0.000 55.210 55.300 -0.150 0.000 0.988 1 M CB 0.000 32.693 32.600 0.154 0.000 1.302 2 F N 2.292 122.130 119.950 -0.187 0.000 2.516 2 F HA 0.024 4.551 4.527 0.000 0.000 0.350 2 F C 0.094 175.676 175.800 -0.362 0.000 1.016 2 F CA 1.636 59.616 58.000 -0.032 0.000 1.253 2 F CB -0.021 39.015 39.000 0.060 0.000 0.930 2 F HN 0.147 nan 8.300 nan 0.000 0.608 3 F N 2.152 122.251 119.950 0.249 0.000 2.640 3 F HA 0.633 5.160 4.527 0.000 0.000 0.324 3 F C -0.308 175.575 175.800 0.138 0.000 1.077 3 F CA -0.930 57.169 58.000 0.165 0.000 0.965 3 F CB 1.509 40.574 39.000 0.108 0.000 1.351 3 F HN 0.004 nan 8.300 nan 0.000 0.487 4 I N 2.302 123.080 120.570 0.348 0.000 2.493 4 I HA 0.283 4.453 4.170 -0.000 0.000 0.279 4 I C -0.982 175.229 176.117 0.156 0.000 1.045 4 I CA -0.596 60.820 61.300 0.193 0.000 1.106 4 I CB 1.582 39.663 38.000 0.135 0.000 1.216 4 I HN 0.362 nan 8.210 nan 0.000 0.459 5 K N 4.607 125.065 120.400 0.096 0.000 2.208 5 K HA 0.432 4.752 4.320 -0.000 0.000 0.247 5 K C -0.976 175.596 176.600 -0.046 0.000 0.953 5 K CA -0.532 55.783 56.287 0.047 0.000 0.837 5 K CB 1.395 33.943 32.500 0.080 0.000 1.131 5 K HN 0.272 nan 8.250 nan 0.000 0.431 6 D N 3.884 124.260 120.400 -0.040 0.000 2.329 6 D HA 0.279 4.919 4.640 -0.000 0.000 0.232 6 D C -0.202 176.031 176.300 -0.112 0.000 1.088 6 D CA -0.121 53.825 54.000 -0.091 0.000 0.835 6 D CB 0.826 41.610 40.800 -0.027 0.000 1.078 6 D HN 0.336 nan 8.370 nan 0.000 0.495 7 L N 0.692 121.747 121.223 -0.280 0.000 2.293 7 L HA 0.609 4.949 4.340 -0.000 0.000 0.264 7 L C 0.238 177.179 176.870 0.119 0.000 1.029 7 L CA -0.895 53.831 54.840 -0.189 0.000 0.897 7 L CB 1.696 43.507 42.059 -0.413 0.000 1.497 7 L HN 0.331 nan 8.230 nan 0.000 0.495 8 S N 0.457 116.342 115.700 0.308 0.000 2.562 8 S HA 0.617 5.087 4.470 -0.000 0.000 0.274 8 S C -1.519 173.139 174.600 0.097 0.000 1.160 8 S CA -0.643 57.713 58.200 0.261 0.000 0.933 8 S CB 1.800 65.071 63.200 0.118 0.000 1.100 8 S HN 0.471 nan 8.310 nan 0.000 0.468 9 L N 2.420 123.600 121.223 -0.072 0.000 2.303 9 L HA 0.764 5.104 4.340 -0.000 0.000 0.266 9 L C -1.090 175.741 176.870 -0.066 0.000 1.011 9 L CA -0.461 54.304 54.840 -0.125 0.000 0.818 9 L CB 1.913 43.800 42.059 -0.286 0.000 1.326 9 L HN 0.880 nan 8.230 nan 0.000 0.435 10 N N 3.185 121.863 118.700 -0.037 0.000 2.491 10 N HA 0.505 5.245 4.740 -0.000 0.000 0.274 10 N C -1.401 174.126 175.510 0.027 0.000 1.023 10 N CA -0.156 52.900 53.050 0.010 0.000 0.902 10 N CB 1.659 40.155 38.487 0.015 0.000 1.267 10 N HN 0.482 nan 8.380 nan 0.000 0.503 11 I N 0.540 121.156 120.570 0.076 0.000 2.493 11 I HA 0.390 4.560 4.170 -0.000 0.000 0.298 11 I C 0.129 176.355 176.117 0.182 0.000 0.998 11 I CA -0.749 60.617 61.300 0.109 0.000 1.137 11 I CB 1.920 39.979 38.000 0.098 0.000 1.310 11 I HN 0.139 nan 8.210 nan 0.000 0.445 12 T N 6.292 120.941 114.554 0.158 0.000 2.770 12 T HA 0.442 4.792 4.350 -0.000 0.000 0.297 12 T C -0.281 174.555 174.700 0.226 0.000 0.997 12 T CA -0.404 61.790 62.100 0.157 0.000 0.949 12 T CB 0.871 69.795 68.868 0.093 0.000 0.941 12 T HN 0.348 nan 8.240 nan 0.000 0.457 13 L N 3.916 125.320 121.223 0.301 0.000 2.289 13 L HA 0.415 4.755 4.340 -0.000 0.000 0.285 13 L C 0.072 177.138 176.870 0.326 0.000 1.049 13 L CA -0.887 54.180 54.840 0.379 0.000 0.804 13 L CB 0.841 43.222 42.059 0.538 0.000 1.195 13 L HN 0.742 nan 8.230 nan 0.000 0.428 14 H N 6.363 125.444 119.070 0.019 0.000 2.580 14 H HA 0.266 4.822 4.556 0.000 0.000 0.322 14 H C -2.058 173.120 175.328 -0.250 0.000 1.082 14 H CA -1.680 54.270 56.048 -0.164 0.000 1.383 14 H CB 1.351 30.907 29.762 -0.344 0.000 1.450 14 H HN 0.352 nan 8.280 nan 0.000 0.505 15 P HA -0.398 nan 4.420 nan 0.000 0.229 15 P C 1.727 178.399 177.300 -1.046 0.000 1.147 15 P CA 2.664 64.776 63.100 -1.646 0.000 0.949 15 P CB -0.008 31.006 31.700 -1.143 0.000 0.786 16 S N -1.333 113.670 115.700 -1.162 0.000 2.412 16 S HA -0.258 4.212 4.470 -0.000 0.000 0.246 16 S C 1.454 176.035 174.600 -0.031 0.000 1.073 16 S CA 1.859 59.764 58.200 -0.491 0.000 1.186 16 S CB -1.374 61.582 63.200 -0.406 0.000 1.084 16 S HN 0.179 nan 8.310 nan 0.000 0.434 17 F N 0.363 120.269 119.950 -0.075 0.000 2.772 17 F HA 0.099 4.626 4.527 0.000 0.000 0.301 17 F C 0.107 176.029 175.800 0.203 0.000 1.250 17 F CA -0.637 57.356 58.000 -0.011 0.000 1.441 17 F CB -0.388 38.512 39.000 -0.166 0.000 1.112 17 F HN 0.123 nan 8.300 nan 0.000 0.563 18 F N 1.560 121.543 119.950 0.054 0.000 2.666 18 F HA 0.274 4.801 4.527 0.000 0.000 0.362 18 F C 1.085 176.909 175.800 0.040 0.000 1.190 18 F CA -1.067 56.963 58.000 0.050 0.000 1.328 18 F CB -0.876 38.126 39.000 0.004 0.000 1.682 18 F HN -0.121 nan 8.300 nan 0.000 0.623 19 G N 1.425 110.338 108.800 0.189 0.000 2.695 19 G HA2 0.315 4.275 3.960 -0.000 0.000 0.213 19 G HA3 0.315 4.275 3.960 -0.000 0.000 0.213 19 G C -1.130 173.809 174.900 0.065 0.000 1.406 19 G CA -0.408 44.757 45.100 0.108 0.000 1.049 19 G HN 0.212 nan 8.290 nan 0.000 0.573 20 P HA 0.158 nan 4.420 nan 0.000 0.220 20 P C 0.368 177.678 177.300 0.017 0.000 1.154 20 P CA 0.393 63.509 63.100 0.027 0.000 0.830 20 P CB 0.635 32.349 31.700 0.024 0.000 0.803 21 R N 0.366 120.878 120.500 0.020 0.000 2.505 21 R HA 0.351 4.691 4.340 -0.000 0.000 0.284 21 R C 0.710 177.026 176.300 0.027 0.000 1.324 21 R CA -0.229 55.881 56.100 0.016 0.000 1.432 21 R CB 0.285 30.597 30.300 0.019 0.000 1.107 21 R HN 0.251 nan 8.270 nan 0.000 0.587 22 M N 1.173 120.776 119.600 0.006 0.000 2.738 22 M HA 0.009 4.489 4.480 -0.000 0.000 0.256 22 M C 1.801 178.071 176.300 -0.050 0.000 1.253 22 M CA 1.136 56.439 55.300 0.005 0.000 1.223 22 M CB 0.126 32.694 32.600 -0.053 0.000 1.263 22 M HN 0.304 nan 8.290 nan 0.000 0.521 23 K N 0.501 120.840 120.400 -0.103 0.000 2.107 23 K HA -0.331 3.989 4.320 -0.000 0.000 0.211 23 K C 1.928 178.470 176.600 -0.096 0.000 1.049 23 K CA 2.575 58.776 56.287 -0.143 0.000 0.927 23 K CB -0.267 32.170 32.500 -0.105 0.000 0.714 23 K HN 0.473 nan 8.250 nan 0.000 0.452 24 Q N -0.715 119.069 119.800 -0.026 0.000 2.084 24 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 24 Q C 1.981 177.984 176.000 0.005 0.000 0.978 24 Q CA 1.794 57.604 55.803 0.012 0.000 0.844 24 Q CB -0.350 28.412 28.738 0.039 0.000 0.898 24 Q HN 0.524 nan 8.270 nan 0.000 0.426 25 Y N 0.258 120.510 120.300 -0.081 0.000 2.242 25 Y HA -0.153 4.397 4.550 -0.000 0.000 0.291 25 Y C 1.598 177.447 175.900 -0.085 0.000 1.137 25 Y CA 1.359 59.403 58.100 -0.094 0.000 1.181 25 Y CB -0.016 38.367 38.460 -0.128 0.000 0.989 25 Y HN 0.130 nan 8.280 nan 0.000 0.527 26 L N 0.061 121.223 121.223 -0.102 0.000 1.955 26 L HA -0.309 4.031 4.340 -0.000 0.000 0.213 26 L C 2.473 179.191 176.870 -0.252 0.000 1.072 26 L CA 2.014 56.736 54.840 -0.196 0.000 0.755 26 L CB -0.664 41.219 42.059 -0.293 0.000 0.888 26 L HN 0.148 nan 8.230 nan 0.000 0.432 27 K N -0.497 119.770 120.400 -0.221 0.000 2.015 27 K HA -0.246 4.074 4.320 -0.000 0.000 0.220 27 K C 1.959 178.467 176.600 -0.154 0.000 1.055 27 K CA 2.418 58.583 56.287 -0.204 0.000 0.951 27 K CB -0.684 31.695 32.500 -0.201 0.000 0.725 27 K HN 0.323 nan 8.250 nan 0.000 0.449 28 T N 1.206 115.670 114.554 -0.150 0.000 2.685 28 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 28 T C 1.817 176.365 174.700 -0.254 0.000 1.034 28 T CA 1.934 63.931 62.100 -0.171 0.000 1.149 28 T CB -0.204 68.523 68.868 -0.234 0.000 0.860 28 T HN 0.179 nan 8.240 nan 0.000 0.449 29 K N 1.124 121.281 120.400 -0.405 0.000 2.009 29 K HA -0.045 4.275 4.320 -0.000 0.000 0.210 29 K C 2.097 178.582 176.600 -0.192 0.000 1.049 29 K CA 1.110 57.204 56.287 -0.322 0.000 0.929 29 K CB -0.947 31.363 32.500 -0.317 0.000 0.714 29 K HN 0.255 nan 8.250 nan 0.000 0.440 30 L N 0.689 121.790 121.223 -0.203 0.000 2.021 30 L HA -0.198 4.142 4.340 -0.000 0.000 0.215 30 L C 1.919 178.687 176.870 -0.171 0.000 1.074 30 L CA 1.804 56.511 54.840 -0.221 0.000 0.760 30 L CB -0.415 41.478 42.059 -0.277 0.000 0.889 30 L HN 0.293 nan 8.230 nan 0.000 0.433 31 L N -0.864 120.292 121.223 -0.112 0.000 2.056 31 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 31 L C 2.493 179.338 176.870 -0.041 0.000 1.078 31 L CA 1.654 56.468 54.840 -0.044 0.000 0.749 31 L CB -0.790 41.273 42.059 0.007 0.000 0.901 31 L HN 0.368 nan 8.230 nan 0.000 0.433 32 E N -0.005 120.158 120.200 -0.062 0.000 2.268 32 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 32 E C 1.468 178.046 176.600 -0.037 0.000 0.995 32 E CA 0.700 57.074 56.400 -0.043 0.000 0.836 32 E CB 0.054 29.724 29.700 -0.050 0.000 0.763 32 E HN 0.480 nan 8.360 nan 0.000 0.491 33 E N -0.181 119.986 120.200 -0.055 0.000 2.476 33 E HA 0.037 4.387 4.350 -0.000 0.000 0.196 33 E C 0.864 177.433 176.600 -0.052 0.000 1.029 33 E CA -0.137 56.233 56.400 -0.050 0.000 0.896 33 E CB 0.820 30.486 29.700 -0.057 0.000 1.012 33 E HN 0.004 nan 8.360 nan 0.000 0.475 34 V N 0.002 119.891 119.914 -0.041 0.000 3.103 34 V HA 0.015 4.135 4.120 -0.000 0.000 0.229 34 V C 0.151 176.264 176.094 0.032 0.000 1.304 34 V CA -0.061 62.237 62.300 -0.004 0.000 1.298 34 V CB 0.611 32.437 31.823 0.006 0.000 1.093 34 V HN 0.073 nan 8.190 nan 0.000 0.489 35 E N 1.495 121.717 120.200 0.037 0.000 2.341 35 E HA 0.330 4.680 4.350 -0.000 0.000 0.256 35 E C 1.047 177.665 176.600 0.029 0.000 1.125 35 E CA 0.968 57.398 56.400 0.050 0.000 0.939 35 E CB 0.157 29.887 29.700 0.050 0.000 0.991 35 E HN 0.626 nan 8.360 nan 0.000 0.458 36 G N 2.968 111.787 108.800 0.032 0.000 2.201 36 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.212 36 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.212 36 G C 0.482 175.352 174.900 -0.050 0.000 0.994 36 G CA 0.161 45.265 45.100 0.007 0.000 0.644 36 G HN 0.631 nan 8.290 nan 0.000 0.508 37 S N -1.074 114.599 115.700 -0.045 0.000 2.608 37 S HA 0.648 5.118 4.470 -0.000 0.000 0.261 37 S C 0.236 174.746 174.600 -0.151 0.000 1.314 37 S CA 0.316 58.469 58.200 -0.079 0.000 0.992 37 S CB 1.972 65.146 63.200 -0.043 0.000 0.935 37 S HN 1.406 nan 8.310 nan 0.000 0.564 38 C N 1.244 120.448 119.300 -0.160 0.000 2.880 38 C HA 0.875 5.335 4.460 -0.000 0.000 0.320 38 C C -0.675 174.264 174.990 -0.085 0.000 1.176 38 C CA 0.008 58.898 59.018 -0.214 0.000 1.390 38 C CB 1.006 28.487 27.740 -0.432 0.000 1.846 38 C HN 1.192 nan 8.230 nan 0.000 0.478 39 T N 1.452 115.991 114.554 -0.025 0.000 2.769 39 T HA 0.457 4.807 4.350 -0.000 0.000 0.306 39 T C 0.646 175.349 174.700 0.003 0.000 1.400 39 T CA 0.097 62.216 62.100 0.031 0.000 1.007 39 T CB 1.286 70.251 68.868 0.161 0.000 1.392 39 T HN 0.853 nan 8.240 nan 0.000 0.500 40 G N -0.322 108.462 108.800 -0.027 0.000 2.683 40 G HA2 0.028 3.988 3.960 -0.000 0.000 0.213 40 G HA3 0.028 3.988 3.960 -0.000 0.000 0.213 40 G C 1.135 175.942 174.900 -0.156 0.000 1.142 40 G CA -0.014 45.034 45.100 -0.088 0.000 0.793 40 G HN 0.558 nan 8.290 nan 0.000 0.534 41 K N -0.513 119.798 120.400 -0.148 0.000 2.167 41 K HA 0.117 4.438 4.320 -0.000 0.000 0.203 41 K C 1.237 177.355 176.600 -0.803 0.000 1.052 41 K CA 0.727 56.763 56.287 -0.418 0.000 0.956 41 K CB -0.019 32.276 32.500 -0.341 0.000 0.735 41 K HN 0.443 nan 8.250 nan 0.000 0.451 42 F N -0.956 118.945 119.950 -0.081 0.000 2.778 42 F HA 0.207 4.734 4.527 -0.000 0.000 0.314 42 F C 1.248 177.009 175.800 -0.065 0.000 1.073 42 F CA 0.313 58.266 58.000 -0.078 0.000 1.218 42 F CB 0.858 39.833 39.000 -0.042 0.000 1.037 42 F HN 0.127 nan 8.300 nan 0.000 0.594 43 G N 0.149 109.009 108.800 0.099 0.000 2.466 43 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 43 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 43 G C -1.360 173.709 174.900 0.282 0.000 1.237 43 G CA -0.867 44.318 45.100 0.141 0.000 0.954 43 G HN -0.057 nan 8.290 nan 0.000 0.580 44 Y N 0.918 121.254 120.300 0.059 0.000 2.350 44 Y HA 0.610 5.160 4.550 0.000 0.000 0.340 44 Y C 1.118 177.062 175.900 0.074 0.000 1.006 44 Y CA -0.968 57.177 58.100 0.074 0.000 1.166 44 Y CB 0.865 39.385 38.460 0.098 0.000 1.168 44 Y HN 0.454 nan 8.280 nan 0.000 0.502 45 I N 5.816 126.480 120.570 0.157 0.000 2.291 45 I HA 0.090 4.260 4.170 -0.000 0.000 0.292 45 I C 0.633 176.828 176.117 0.129 0.000 1.064 45 I CA 0.141 61.517 61.300 0.127 0.000 1.269 45 I CB 0.671 38.724 38.000 0.088 0.000 1.418 45 I HN 0.690 nan 8.210 nan 0.000 0.485 46 L N 5.341 126.650 121.223 0.142 0.000 2.200 46 L HA 0.154 4.494 4.340 -0.000 0.000 0.200 46 L C 0.834 177.773 176.870 0.115 0.000 1.072 46 L CA 0.741 55.660 54.840 0.132 0.000 0.787 46 L CB 0.193 42.333 42.059 0.135 0.000 0.957 46 L HN 0.651 nan 8.230 nan 0.000 0.459 47 C N -0.125 119.246 119.300 0.119 0.000 2.782 47 C HA 0.542 5.002 4.460 -0.000 0.000 0.328 47 C C -0.426 174.633 174.990 0.116 0.000 1.145 47 C CA -0.915 58.170 59.018 0.112 0.000 1.358 47 C CB 1.252 29.054 27.740 0.105 0.000 1.841 47 C HN 0.009 nan 8.230 nan 0.000 0.477 48 V N 7.290 127.286 119.914 0.135 0.000 2.387 48 V HA 0.233 4.353 4.120 -0.000 0.000 0.260 48 V C 0.749 176.922 176.094 0.131 0.000 1.054 48 V CA -0.048 62.346 62.300 0.157 0.000 0.967 48 V CB -0.021 31.931 31.823 0.214 0.000 1.036 48 V HN 0.778 nan 8.190 nan 0.000 0.481 49 L N 2.776 124.054 121.223 0.092 0.000 2.461 49 L HA 0.184 4.524 4.340 -0.000 0.000 0.259 49 L C 1.075 178.000 176.870 0.092 0.000 1.248 49 L CA -0.113 54.777 54.840 0.083 0.000 0.823 49 L CB -0.011 42.083 42.059 0.057 0.000 1.111 49 L HN 0.716 nan 8.230 nan 0.000 0.516 50 D N 0.221 120.672 120.400 0.086 0.000 3.323 50 D HA -0.301 4.339 4.640 -0.000 0.000 0.198 50 D C 0.345 176.710 176.300 0.109 0.000 1.187 50 D CA 0.776 54.828 54.000 0.086 0.000 0.932 50 D CB -0.160 40.671 40.800 0.051 0.000 0.814 50 D HN 0.595 nan 8.370 nan 0.000 0.397 51 Y N 2.568 122.883 120.300 0.023 0.000 2.395 51 Y HA -0.076 4.474 4.550 -0.000 0.000 0.293 51 Y C 1.917 177.821 175.900 0.007 0.000 1.123 51 Y CA 1.524 59.635 58.100 0.017 0.000 1.227 51 Y CB 0.248 38.713 38.460 0.008 0.000 1.012 51 Y HN 0.302 nan 8.280 nan 0.000 0.552 52 D N 0.435 120.935 120.400 0.168 0.000 2.077 52 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 52 D C 0.101 176.377 176.300 -0.039 0.000 0.986 52 D CA 1.224 55.277 54.000 0.089 0.000 0.829 52 D CB -0.327 40.536 40.800 0.105 0.000 0.983 52 D HN 0.484 nan 8.370 nan 0.000 0.453 53 N N 0.859 119.544 118.700 -0.024 0.000 3.303 53 N HA 0.161 4.901 4.740 -0.000 0.000 0.304 53 N C -0.440 175.034 175.510 -0.060 0.000 1.302 53 N CA -0.247 52.781 53.050 -0.037 0.000 1.213 53 N CB 0.571 39.053 38.487 -0.008 0.000 1.481 53 N HN 0.183 nan 8.380 nan 0.000 0.546 54 I N 0.204 120.699 120.570 -0.124 0.000 2.371 54 I HA 0.090 4.260 4.170 -0.000 0.000 0.290 54 I C 0.405 176.464 176.117 -0.097 0.000 1.028 54 I CA -0.432 60.795 61.300 -0.123 0.000 1.345 54 I CB 0.810 38.668 38.000 -0.236 0.000 1.407 54 I HN 0.120 nan 8.210 nan 0.000 0.501 55 D N 5.912 126.283 120.400 -0.049 0.000 2.312 55 D HA 0.218 4.858 4.640 -0.000 0.000 0.252 55 D C 0.536 176.808 176.300 -0.046 0.000 1.150 55 D CA 0.024 54.004 54.000 -0.034 0.000 0.870 55 D CB 1.786 42.585 40.800 -0.001 0.000 1.153 55 D HN 0.321 nan 8.370 nan 0.000 0.457 56 I N 1.396 121.935 120.570 -0.051 0.000 4.139 56 I HA 0.033 4.203 4.170 -0.000 0.000 0.320 56 I C 0.934 177.082 176.117 0.052 0.000 1.290 56 I CA -0.096 61.171 61.300 -0.055 0.000 1.253 56 I CB -0.452 37.445 38.000 -0.172 0.000 1.122 56 I HN 0.376 nan 8.210 nan 0.000 0.421 57 Q N 0.846 120.669 119.800 0.038 0.000 0.461 57 Q HA -0.211 4.129 4.340 -0.000 0.000 0.354 57 Q C -0.003 176.069 176.000 0.119 0.000 1.083 57 Q CA 0.691 56.532 55.803 0.063 0.000 0.268 57 Q CB -0.501 28.274 28.738 0.062 0.000 5.584 57 Q HN 0.358 nan 8.270 nan 0.000 0.327 58 R N -0.262 120.294 120.500 0.093 0.000 2.490 58 R HA 0.431 4.771 4.340 -0.000 0.000 0.280 58 R C 0.193 176.546 176.300 0.089 0.000 1.077 58 R CA 0.604 56.762 56.100 0.097 0.000 1.065 58 R CB 0.737 31.058 30.300 0.035 0.000 1.003 58 R HN 0.519 nan 8.270 nan 0.000 0.470 59 G N 1.550 110.365 108.800 0.026 0.000 2.371 59 G HA2 0.397 4.357 3.960 -0.000 0.000 0.326 59 G HA3 0.397 4.357 3.960 -0.000 0.000 0.326 59 G C -0.933 173.723 174.900 -0.407 0.000 1.127 59 G CA -0.753 44.028 45.100 -0.532 0.000 0.885 59 G HN 0.608 nan 8.290 nan 0.000 0.477 60 R N 1.561 121.835 120.500 -0.376 0.000 2.532 60 R HA 0.599 4.939 4.340 -0.000 0.000 0.295 60 R C -0.552 175.624 176.300 -0.207 0.000 0.968 60 R CA -0.798 55.176 56.100 -0.211 0.000 0.916 60 R CB 1.220 31.445 30.300 -0.125 0.000 1.124 60 R HN 0.365 nan 8.270 nan 0.000 0.463 61 I N 4.886 125.393 120.570 -0.106 0.000 2.416 61 I HA 0.106 4.276 4.170 -0.000 0.000 0.288 61 I C 0.902 177.001 176.117 -0.031 0.000 1.051 61 I CA -0.648 60.630 61.300 -0.037 0.000 1.375 61 I CB 0.631 38.642 38.000 0.019 0.000 1.407 61 I HN 0.505 nan 8.210 nan 0.000 0.516 62 L N 7.361 128.573 121.223 -0.019 0.000 2.264 62 L HA 0.085 4.425 4.340 -0.000 0.000 0.187 62 L C -1.221 175.641 176.870 -0.012 0.000 1.080 62 L CA -0.279 54.551 54.840 -0.016 0.000 0.886 62 L CB -0.304 41.751 42.059 -0.007 0.000 1.271 62 L HN 0.575 nan 8.230 nan 0.000 0.552 63 P HA 0.165 nan 4.420 nan 0.000 0.326 63 P C 0.383 177.676 177.300 -0.012 0.000 1.387 63 P CA 0.102 63.196 63.100 -0.011 0.000 1.274 63 P CB 1.309 33.002 31.700 -0.012 0.000 1.635 64 T N -0.885 113.661 114.554 -0.012 0.000 2.987 64 T HA 0.107 4.457 4.350 -0.000 0.000 0.248 64 T C 0.525 175.214 174.700 -0.018 0.000 0.997 64 T CA 0.420 62.511 62.100 -0.015 0.000 1.013 64 T CB 0.326 69.185 68.868 -0.015 0.000 1.077 64 T HN 0.270 nan 8.240 nan 0.000 0.483 65 D N -0.159 120.232 120.400 -0.016 0.000 2.621 65 D HA 0.392 5.032 4.640 -0.000 0.000 0.255 65 D C 0.884 177.173 176.300 -0.018 0.000 1.122 65 D CA -0.579 53.411 54.000 -0.018 0.000 1.096 65 D CB 1.321 42.113 40.800 -0.014 0.000 1.282 65 D HN 0.092 nan 8.370 nan 0.000 0.619 66 G N -0.578 108.202 108.800 -0.033 0.000 2.939 66 G HA2 0.034 3.994 3.960 -0.000 0.000 0.210 66 G HA3 0.034 3.994 3.960 -0.000 0.000 0.210 66 G C 0.550 175.434 174.900 -0.025 0.000 1.160 66 G CA -0.130 44.927 45.100 -0.072 0.000 0.770 66 G HN 0.408 nan 8.290 nan 0.000 0.543 67 S N -0.088 115.632 115.700 0.033 0.000 2.540 67 S HA 0.379 4.849 4.470 -0.000 0.000 0.272 67 S C 0.433 175.130 174.600 0.162 0.000 1.357 67 S CA 0.588 58.863 58.200 0.125 0.000 1.011 67 S CB 0.781 64.040 63.200 0.099 0.000 0.852 67 S HN 0.753 nan 8.310 nan 0.000 0.535 68 A N 0.888 123.814 122.820 0.176 0.000 2.435 68 A HA 0.683 5.003 4.320 -0.000 0.000 0.304 68 A C -0.708 176.755 177.584 -0.202 0.000 1.064 68 A CA -0.644 51.340 52.037 -0.088 0.000 0.727 68 A CB 1.368 20.206 19.000 -0.269 0.000 1.284 68 A HN 0.748 nan 8.150 nan 0.000 0.415 69 E N 1.407 121.405 120.200 -0.336 0.000 2.191 69 E HA 0.595 4.945 4.350 -0.000 0.000 0.263 69 E C -1.817 174.599 176.600 -0.307 0.000 0.881 69 E CA -0.319 55.967 56.400 -0.189 0.000 0.757 69 E CB 0.831 30.483 29.700 -0.079 0.000 1.147 69 E HN 0.463 nan 8.360 nan 0.000 0.414 70 F N 2.553 122.496 119.950 -0.010 0.000 2.450 70 F HA 0.324 4.851 4.527 -0.000 0.000 0.332 70 F C 0.734 176.516 175.800 -0.031 0.000 1.093 70 F CA -1.061 56.922 58.000 -0.027 0.000 1.003 70 F CB 1.168 40.144 39.000 -0.041 0.000 1.151 70 F HN 0.334 nan 8.300 nan 0.000 0.474 71 N N 2.445 121.236 118.700 0.151 0.000 2.801 71 N HA 0.162 4.902 4.740 -0.000 0.000 0.235 71 N C -1.144 174.400 175.510 0.056 0.000 1.069 71 N CA -0.117 52.977 53.050 0.074 0.000 0.946 71 N CB 0.571 39.086 38.487 0.048 0.000 1.212 71 N HN 0.351 nan 8.380 nan 0.000 0.509 72 V N 3.410 123.333 119.914 0.015 0.000 2.409 72 V HA -0.018 4.101 4.120 -0.000 0.000 0.270 72 V C 0.782 176.867 176.094 -0.015 0.000 1.019 72 V CA -0.238 62.035 62.300 -0.045 0.000 1.066 72 V CB -0.140 31.592 31.823 -0.151 0.000 1.021 72 V HN 0.404 nan 8.190 nan 0.000 0.476 73 K N 7.802 128.226 120.400 0.041 0.000 2.250 73 K HA 0.299 4.619 4.320 -0.000 0.000 0.280 73 K C -0.494 176.219 176.600 0.187 0.000 1.098 73 K CA -0.277 56.082 56.287 0.119 0.000 0.916 73 K CB -0.107 32.437 32.500 0.073 0.000 1.209 73 K HN 0.660 nan 8.250 nan 0.000 0.461 74 Y N 0.675 120.946 120.300 -0.048 0.000 2.732 74 Y HA 0.699 5.249 4.550 -0.000 0.000 0.327 74 Y C -0.362 175.522 175.900 -0.026 0.000 1.162 74 Y CA -1.713 56.358 58.100 -0.049 0.000 1.238 74 Y CB 1.191 39.614 38.460 -0.061 0.000 1.443 74 Y HN 0.370 nan 8.280 nan 0.000 0.584 75 R N 1.026 121.444 120.500 -0.137 0.000 2.651 75 R HA 0.772 5.112 4.340 -0.000 0.000 0.278 75 R C -1.987 174.179 176.300 -0.223 0.000 1.010 75 R CA -0.496 55.455 56.100 -0.249 0.000 0.896 75 R CB 2.264 32.522 30.300 -0.070 0.000 1.211 75 R HN 1.085 nan 8.270 nan 0.000 0.456 76 A N 2.354 125.041 122.820 -0.222 0.000 2.568 76 A HA 0.599 4.919 4.320 -0.000 0.000 0.291 76 A C -1.704 175.889 177.584 0.014 0.000 1.159 76 A CA -0.572 51.417 52.037 -0.080 0.000 0.679 76 A CB 1.815 20.756 19.000 -0.097 0.000 1.285 76 A HN 0.366 nan 8.150 nan 0.000 0.428 77 V N 1.038 120.999 119.914 0.079 0.000 2.370 77 V HA 0.566 4.686 4.120 -0.000 0.000 0.283 77 V C -0.403 175.785 176.094 0.157 0.000 1.023 77 V CA -0.157 62.231 62.300 0.147 0.000 0.857 77 V CB 1.165 33.095 31.823 0.178 0.000 0.985 77 V HN 0.807 nan 8.190 nan 0.000 0.443 78 V N 4.345 124.375 119.914 0.194 0.000 3.113 78 V HA 0.649 4.769 4.120 -0.000 0.000 0.316 78 V C -0.925 175.270 176.094 0.169 0.000 1.125 78 V CA -1.016 61.397 62.300 0.189 0.000 1.026 78 V CB 2.208 34.152 31.823 0.201 0.000 1.080 78 V HN 0.677 nan 8.190 nan 0.000 0.444 79 F N 2.654 122.558 119.950 -0.076 0.000 2.831 79 F HA 0.592 5.119 4.527 -0.000 0.000 0.346 79 F C -0.666 175.067 175.800 -0.112 0.000 1.224 79 F CA -0.578 57.255 58.000 -0.278 0.000 1.048 79 F CB 1.147 39.659 39.000 -0.812 0.000 1.339 79 F HN 0.578 nan 8.300 nan 0.000 0.514 80 K N 8.576 128.650 120.400 -0.542 0.000 2.545 80 K HA 0.547 4.867 4.320 -0.000 0.000 0.252 80 K C -3.356 172.752 176.600 -0.820 0.000 0.948 80 K CA -1.689 54.227 56.287 -0.619 0.000 0.827 80 K CB 2.517 34.778 32.500 -0.398 0.000 1.128 80 K HN 0.292 nan 8.250 nan 0.000 0.429 81 P HA 0.195 nan 4.420 nan 0.000 0.272 81 P C -0.927 176.022 177.300 -0.584 0.000 1.254 81 P CA -0.112 62.690 63.100 -0.497 0.000 0.795 81 P CB 0.314 31.838 31.700 -0.293 0.000 1.022 82 F N -2.305 117.595 119.950 -0.084 0.000 2.654 82 F HA 0.333 4.860 4.527 0.000 0.000 0.308 82 F C 0.466 176.254 175.800 -0.020 0.000 1.108 82 F CA -1.015 56.958 58.000 -0.045 0.000 0.957 82 F CB 1.552 40.535 39.000 -0.029 0.000 1.309 82 F HN 0.023 nan 8.300 nan 0.000 0.446 83 K N 0.521 121.041 120.400 0.199 0.000 2.382 83 K HA 0.452 4.772 4.320 -0.000 0.000 0.275 83 K C 0.873 177.536 176.600 0.106 0.000 1.009 83 K CA 0.634 56.986 56.287 0.110 0.000 0.970 83 K CB 0.403 32.949 32.500 0.077 0.000 0.934 83 K HN 0.950 nan 8.250 nan 0.000 0.479 84 G N 1.231 110.072 108.800 0.068 0.000 2.184 84 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.264 84 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.264 84 G C 0.041 174.968 174.900 0.044 0.000 0.975 84 G CA 0.327 45.454 45.100 0.045 0.000 0.642 84 G HN 0.670 nan 8.290 nan 0.000 0.536 85 E N -0.162 120.086 120.200 0.079 0.000 2.319 85 E HA 0.536 4.886 4.350 -0.000 0.000 0.268 85 E C -0.302 176.341 176.600 0.072 0.000 1.050 85 E CA -0.615 55.833 56.400 0.079 0.000 0.878 85 E CB 1.277 31.066 29.700 0.149 0.000 1.066 85 E HN 0.168 nan 8.360 nan 0.000 0.406 86 V N 5.022 124.973 119.914 0.061 0.000 2.326 86 V HA 0.324 4.444 4.120 -0.000 0.000 0.281 86 V C -0.254 175.886 176.094 0.076 0.000 1.015 86 V CA -0.630 61.707 62.300 0.060 0.000 0.823 86 V CB 0.819 32.666 31.823 0.039 0.000 1.009 86 V HN 0.507 nan 8.190 nan 0.000 0.436 87 V N 1.246 121.217 119.914 0.095 0.000 3.040 87 V HA 0.912 5.032 4.120 -0.000 0.000 0.312 87 V C -1.326 174.825 176.094 0.094 0.000 1.115 87 V CA -0.870 61.495 62.300 0.109 0.000 0.998 87 V CB 2.567 34.492 31.823 0.170 0.000 1.042 87 V HN 0.762 nan 8.190 nan 0.000 0.433 88 D N 0.800 121.248 120.400 0.081 0.000 2.481 88 D HA 0.853 5.493 4.640 -0.000 0.000 0.244 88 D C 0.114 176.451 176.300 0.061 0.000 1.057 88 D CA -0.167 53.874 54.000 0.067 0.000 0.848 88 D CB 1.859 42.688 40.800 0.049 0.000 1.388 88 D HN 1.066 nan 8.370 nan 0.000 0.475 89 G N -0.402 108.435 108.800 0.062 0.000 2.947 89 G HA2 0.598 4.558 3.960 -0.000 0.000 0.293 89 G HA3 0.598 4.558 3.960 -0.000 0.000 0.293 89 G C -1.206 173.719 174.900 0.041 0.000 1.243 89 G CA -0.790 44.340 45.100 0.051 0.000 0.802 89 G HN 0.472 nan 8.290 nan 0.000 0.560 90 T N 0.513 115.091 114.554 0.040 0.000 2.823 90 T HA 0.559 4.909 4.350 -0.000 0.000 0.279 90 T C 0.336 175.064 174.700 0.045 0.000 0.998 90 T CA -0.295 61.821 62.100 0.026 0.000 0.994 90 T CB 1.833 70.712 68.868 0.018 0.000 0.960 90 T HN 0.399 nan 8.240 nan 0.000 0.448 91 V N 2.989 122.912 119.914 0.015 0.000 3.237 91 V HA 0.178 4.298 4.120 -0.000 0.000 0.305 91 V C 0.912 177.042 176.094 0.060 0.000 1.096 91 V CA 0.120 62.443 62.300 0.039 0.000 1.130 91 V CB 1.188 32.958 31.823 -0.089 0.000 1.048 91 V HN 0.855 nan 8.190 nan 0.000 0.484 92 V N -0.105 119.870 119.914 0.102 0.000 3.155 92 V HA 0.165 4.285 4.120 -0.000 0.000 0.225 92 V C 0.375 176.526 176.094 0.095 0.000 1.462 92 V CA 0.829 63.179 62.300 0.084 0.000 1.270 92 V CB 0.914 32.788 31.823 0.084 0.000 1.112 92 V HN 0.915 nan 8.190 nan 0.000 0.479 93 S N -1.206 114.577 115.700 0.138 0.000 2.704 93 S HA 0.808 5.278 4.470 -0.000 0.000 0.296 93 S C -1.070 173.663 174.600 0.221 0.000 1.138 93 S CA -0.541 57.745 58.200 0.143 0.000 0.875 93 S CB 2.525 65.788 63.200 0.105 0.000 1.151 93 S HN 0.374 nan 8.310 nan 0.000 0.500 94 C N 1.117 120.549 119.300 0.220 0.000 3.283 94 C HA 0.878 5.338 4.460 -0.000 0.000 0.359 94 C C -0.810 174.323 174.990 0.239 0.000 1.160 94 C CA 0.617 59.819 59.018 0.305 0.000 1.232 94 C CB 0.722 28.680 27.740 0.364 0.000 1.571 94 C HN 1.734 nan 8.230 nan 0.000 0.522 95 S N 2.909 118.693 115.700 0.141 0.000 2.683 95 S HA 0.334 4.804 4.470 -0.000 0.000 0.269 95 S C -0.209 173.887 174.600 -0.840 0.000 1.165 95 S CA -0.193 57.919 58.200 -0.147 0.000 0.840 95 S CB 0.903 64.096 63.200 -0.012 0.000 1.169 95 S HN 1.030 nan 8.310 nan 0.000 0.490 96 Q N 0.059 119.307 119.800 -0.921 0.000 2.541 96 Q HA 0.035 4.375 4.340 -0.000 0.000 0.216 96 Q C 0.152 175.680 176.000 -0.787 0.000 0.968 96 Q CA 1.054 56.233 55.803 -1.040 0.000 0.989 96 Q CB -0.720 27.740 28.738 -0.464 0.000 0.991 96 Q HN 0.720 nan 8.270 nan 0.000 0.549 97 H N -1.249 117.687 119.070 -0.222 0.000 3.794 97 H HA 0.365 4.921 4.556 -0.000 0.000 0.258 97 H C 0.758 176.119 175.328 0.056 0.000 1.120 97 H CA 0.755 56.788 56.048 -0.024 0.000 1.166 97 H CB 1.834 31.641 29.762 0.076 0.000 1.517 97 H HN 0.389 nan 8.280 nan 0.000 0.615 98 G N 0.986 109.885 108.800 0.166 0.000 2.340 98 G HA2 0.193 4.153 3.960 -0.000 0.000 0.282 98 G HA3 0.193 4.153 3.960 -0.000 0.000 0.282 98 G C -1.839 173.130 174.900 0.115 0.000 1.312 98 G CA -0.503 44.526 45.100 -0.119 0.000 0.942 98 G HN 0.137 nan 8.290 nan 0.000 0.495 99 F N -0.702 119.193 119.950 -0.091 0.000 2.565 99 F HA 0.886 5.413 4.527 0.000 0.000 0.313 99 F C -0.529 175.383 175.800 0.187 0.000 1.091 99 F CA -1.496 56.552 58.000 0.081 0.000 0.915 99 F CB 2.186 41.142 39.000 -0.073 0.000 1.208 99 F HN 0.622 nan 8.300 nan 0.000 0.453 100 E N 2.486 123.001 120.200 0.525 0.000 2.174 100 E HA 0.582 4.932 4.350 -0.000 0.000 0.282 100 E C -1.334 175.474 176.600 0.347 0.000 0.992 100 E CA -0.702 55.956 56.400 0.430 0.000 0.803 100 E CB 1.664 31.530 29.700 0.277 0.000 1.090 100 E HN 0.671 nan 8.360 nan 0.000 0.396 101 V N 3.732 123.822 119.914 0.293 0.000 2.850 101 V HA 0.268 4.388 4.120 -0.000 0.000 0.315 101 V C -0.390 175.799 176.094 0.158 0.000 1.064 101 V CA -0.614 61.823 62.300 0.229 0.000 0.979 101 V CB 1.849 33.815 31.823 0.237 0.000 1.039 101 V HN 0.709 nan 8.190 nan 0.000 0.452 102 Q N 1.601 121.470 119.800 0.115 0.000 2.339 102 Q HA 0.509 4.849 4.340 -0.000 0.000 0.268 102 Q C -1.739 174.297 176.000 0.059 0.000 1.027 102 Q CA -0.403 55.452 55.803 0.086 0.000 0.759 102 Q CB 1.809 30.586 28.738 0.066 0.000 1.244 102 Q HN 0.582 nan 8.270 nan 0.000 0.464 103 V N 5.132 125.082 119.914 0.060 0.000 2.270 103 V HA 0.503 4.623 4.120 -0.000 0.000 0.263 103 V C 0.953 176.993 176.094 -0.091 0.000 1.066 103 V CA 0.532 62.858 62.300 0.043 0.000 0.857 103 V CB -0.210 31.694 31.823 0.135 0.000 1.099 103 V HN 1.061 nan 8.190 nan 0.000 0.476 104 G N 7.281 116.013 108.800 -0.114 0.000 2.547 104 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.271 104 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.271 104 G C -0.798 173.968 174.900 -0.224 0.000 1.209 104 G CA 0.208 45.173 45.100 -0.226 0.000 0.959 104 G HN 0.542 nan 8.290 nan 0.000 0.563 105 P HA -0.010 nan 4.420 nan 0.000 0.222 105 P C 1.219 178.437 177.300 -0.138 0.000 1.147 105 P CA 1.694 64.680 63.100 -0.190 0.000 0.790 105 P CB 0.090 31.655 31.700 -0.226 0.000 0.780 106 M N 0.007 119.454 119.600 -0.255 0.000 2.245 106 M HA 0.319 4.799 4.480 -0.000 0.000 0.292 106 M C -0.620 175.728 176.300 0.080 0.000 1.176 106 M CA -0.087 55.182 55.300 -0.051 0.000 1.035 106 M CB 1.203 33.808 32.600 0.008 0.000 1.440 106 M HN -0.351 nan 8.290 nan 0.000 0.494 107 K N 1.818 122.331 120.400 0.188 0.000 2.507 107 K HA 0.540 4.860 4.320 -0.000 0.000 0.251 107 K C -1.818 174.915 176.600 0.221 0.000 0.943 107 K CA -0.815 55.591 56.287 0.197 0.000 0.794 107 K CB 2.437 35.056 32.500 0.199 0.000 1.188 107 K HN 0.500 nan 8.250 nan 0.000 0.428 108 V N 3.435 123.457 119.914 0.180 0.000 2.417 108 V HA 0.427 4.547 4.120 -0.000 0.000 0.291 108 V C -0.627 175.572 176.094 0.175 0.000 1.024 108 V CA -0.934 61.464 62.300 0.163 0.000 0.861 108 V CB 0.869 32.761 31.823 0.116 0.000 0.985 108 V HN 0.620 nan 8.190 nan 0.000 0.436 109 F N 5.422 125.365 119.950 -0.012 0.000 2.425 109 F HA 0.794 5.321 4.527 0.000 0.000 0.331 109 F C -0.346 175.348 175.800 -0.177 0.000 1.085 109 F CA -0.905 57.042 58.000 -0.088 0.000 1.028 109 F CB 1.797 40.750 39.000 -0.079 0.000 1.177 109 F HN 0.273 nan 8.300 nan 0.000 0.487 110 V N 3.848 122.915 119.914 -1.411 0.000 2.407 110 V HA 0.318 4.438 4.120 -0.000 0.000 0.291 110 V C -0.226 174.941 176.094 -1.545 0.000 1.018 110 V CA -0.869 60.657 62.300 -1.291 0.000 0.842 110 V CB 1.167 32.240 31.823 -1.251 0.000 0.996 110 V HN 0.853 nan 8.190 nan 0.000 0.426 111 T N 3.847 117.835 114.554 -0.942 0.000 2.901 111 T HA 0.098 4.448 4.350 -0.000 0.000 0.301 111 T C 1.257 175.725 174.700 -0.387 0.000 1.012 111 T CA -0.206 61.569 62.100 -0.542 0.000 1.135 111 T CB 1.146 69.888 68.868 -0.210 0.000 0.936 111 T HN 0.873 nan 8.240 nan 0.000 0.539 112 K N 2.169 122.395 120.400 -0.290 0.000 2.127 112 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 112 K C 1.490 177.968 176.600 -0.203 0.000 1.047 112 K CA 1.894 58.050 56.287 -0.218 0.000 0.927 112 K CB -0.211 32.144 32.500 -0.242 0.000 0.716 112 K HN 0.657 nan 8.250 nan 0.000 0.450 113 H N -1.058 118.005 119.070 -0.011 0.000 2.548 113 H HA 0.113 4.669 4.556 -0.000 0.000 0.265 113 H C 0.189 175.495 175.328 -0.037 0.000 0.969 113 H CA 0.290 56.336 56.048 -0.003 0.000 1.155 113 H CB 0.354 30.123 29.762 0.011 0.000 1.394 113 H HN 0.088 nan 8.280 nan 0.000 0.570 114 L N 1.876 123.091 121.223 -0.013 0.000 3.036 114 L HA 0.250 4.590 4.340 -0.000 0.000 0.237 114 L C 0.156 176.968 176.870 -0.096 0.000 1.319 114 L CA 0.016 54.820 54.840 -0.059 0.000 1.112 114 L CB -0.935 41.054 42.059 -0.117 0.000 1.480 114 L HN 0.153 nan 8.230 nan 0.000 0.506 115 M N -2.295 117.277 119.600 -0.047 0.000 3.079 115 M HA 0.708 5.188 4.480 -0.000 0.000 0.277 115 M C -2.733 173.584 176.300 0.028 0.000 1.317 115 M CA -1.667 53.613 55.300 -0.032 0.000 0.793 115 M CB 1.178 33.735 32.600 -0.070 0.000 1.690 115 M HN -0.305 nan 8.290 nan 0.000 0.451 116 P HA 0.124 nan 4.420 nan 0.000 0.270 116 P C -0.730 176.619 177.300 0.080 0.000 1.223 116 P CA 0.180 63.315 63.100 0.058 0.000 0.785 116 P CB 0.814 32.547 31.700 0.055 0.000 0.923 117 Q N 1.154 120.996 119.800 0.069 0.000 1.941 117 Q HA -0.163 4.177 4.340 -0.000 0.000 0.201 117 Q C 1.617 177.664 176.000 0.078 0.000 0.982 117 Q CA 1.943 57.791 55.803 0.075 0.000 0.839 117 Q CB -0.584 28.186 28.738 0.054 0.000 0.904 117 Q HN 0.595 nan 8.270 nan 0.000 0.427 118 D N 0.510 120.947 120.400 0.061 0.000 2.417 118 D HA -0.149 4.491 4.640 -0.000 0.000 0.225 118 D C 0.075 176.420 176.300 0.074 0.000 0.983 118 D CA 0.410 54.444 54.000 0.057 0.000 0.949 118 D CB -0.113 40.711 40.800 0.040 0.000 0.879 118 D HN 0.093 nan 8.370 nan 0.000 0.520 119 L N 1.893 123.179 121.223 0.106 0.000 2.262 119 L HA 0.276 4.616 4.340 -0.000 0.000 0.288 119 L C -0.070 176.917 176.870 0.195 0.000 1.035 119 L CA -0.372 54.560 54.840 0.153 0.000 0.820 119 L CB 1.368 43.538 42.059 0.184 0.000 1.204 119 L HN -0.036 nan 8.230 nan 0.000 0.424 120 T N 1.510 116.147 114.554 0.139 0.000 2.943 120 T HA 0.516 4.866 4.350 -0.000 0.000 0.284 120 T C -0.276 174.406 174.700 -0.031 0.000 1.015 120 T CA -0.594 61.554 62.100 0.080 0.000 1.042 120 T CB 1.111 69.987 68.868 0.013 0.000 1.055 120 T HN 0.348 nan 8.240 nan 0.000 0.500 121 F N 2.526 122.235 119.950 -0.403 0.000 2.404 121 F HA 0.577 5.104 4.527 -0.000 0.000 0.345 121 F C -0.212 175.333 175.800 -0.425 0.000 1.110 121 F CA -1.442 56.023 58.000 -0.891 0.000 1.130 121 F CB 0.914 39.305 39.000 -1.014 0.000 1.129 121 F HN 0.699 nan 8.300 nan 0.000 0.500 122 N N 4.699 122.759 118.700 -1.067 0.000 2.437 122 N HA 0.462 5.202 4.740 -0.000 0.000 0.259 122 N C 0.244 175.035 175.510 -1.199 0.000 0.983 122 N CA 0.134 52.666 53.050 -0.863 0.000 0.937 122 N CB 1.650 39.890 38.487 -0.412 0.000 1.122 122 N HN 0.787 nan 8.380 nan 0.000 0.499 123 A N 3.535 125.816 122.820 -0.899 0.000 1.824 123 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 123 A C 1.756 179.169 177.584 -0.285 0.000 1.209 123 A CA 1.652 53.348 52.037 -0.568 0.000 0.614 123 A CB -1.444 17.392 19.000 -0.272 0.000 0.852 123 A HN 0.699 nan 8.150 nan 0.000 0.447 124 G N 0.288 108.970 108.800 -0.198 0.000 2.653 124 G HA2 0.091 4.051 3.960 -0.000 0.000 0.212 124 G HA3 0.091 4.051 3.960 -0.000 0.000 0.212 124 G C 0.945 175.784 174.900 -0.103 0.000 1.138 124 G CA 0.908 45.939 45.100 -0.115 0.000 0.782 124 G HN 0.891 nan 8.290 nan 0.000 0.535 125 S N -0.799 114.813 115.700 -0.148 0.000 2.566 125 S HA 0.188 4.658 4.470 -0.000 0.000 0.280 125 S C -0.146 174.427 174.600 -0.045 0.000 1.343 125 S CA -0.412 57.729 58.200 -0.099 0.000 1.036 125 S CB 1.203 64.329 63.200 -0.124 0.000 0.866 125 S HN 0.342 nan 8.310 nan 0.000 0.526 126 N N 1.666 120.353 118.700 -0.021 0.000 2.616 126 N HA 0.309 5.049 4.740 -0.000 0.000 0.281 126 N C -2.800 172.714 175.510 0.007 0.000 1.145 126 N CA -1.043 52.007 53.050 0.001 0.000 0.919 126 N CB 1.196 39.681 38.487 -0.002 0.000 1.509 126 N HN 0.684 nan 8.380 nan 0.000 0.537 127 P HA 0.319 nan 4.420 nan 0.000 0.272 127 P C -2.808 174.525 177.300 0.056 0.000 1.230 127 P CA -0.794 62.330 63.100 0.040 0.000 0.788 127 P CB -0.057 31.669 31.700 0.044 0.000 0.949 128 P HA -0.028 nan 4.420 nan 0.000 0.268 128 P C -0.079 177.338 177.300 0.195 0.000 1.189 128 P CA 0.810 64.003 63.100 0.155 0.000 0.771 128 P CB 0.233 32.097 31.700 0.274 0.000 0.822 129 S N 0.070 115.900 115.700 0.217 0.000 2.655 129 S HA 0.600 5.070 4.470 -0.000 0.000 0.266 129 S C -1.959 172.837 174.600 0.327 0.000 1.149 129 S CA -0.769 57.602 58.200 0.285 0.000 0.818 129 S CB 0.688 63.957 63.200 0.115 0.000 1.130 129 S HN 0.213 nan 8.310 nan 0.000 0.476 130 Y N 0.644 121.028 120.300 0.140 0.000 2.425 130 Y HA 0.654 5.204 4.550 -0.000 0.000 0.344 130 Y C 0.110 176.047 175.900 0.062 0.000 0.969 130 Y CA -0.540 57.653 58.100 0.156 0.000 1.052 130 Y CB 2.196 40.789 38.460 0.223 0.000 1.215 130 Y HN 0.715 nan 8.280 nan 0.000 0.451 131 Q N 1.054 120.935 119.800 0.135 0.000 2.345 131 Q HA 0.721 5.061 4.340 -0.000 0.000 0.268 131 Q C -1.001 175.048 176.000 0.082 0.000 1.054 131 Q CA -0.927 54.922 55.803 0.077 0.000 0.835 131 Q CB 2.861 31.608 28.738 0.014 0.000 1.339 131 Q HN 0.654 nan 8.270 nan 0.000 0.447 132 S N -0.625 115.111 115.700 0.061 0.000 2.667 132 S HA 0.311 4.781 4.470 -0.000 0.000 0.292 132 S C 0.584 175.202 174.600 0.029 0.000 1.126 132 S CA -0.474 57.757 58.200 0.052 0.000 0.881 132 S CB 1.676 64.909 63.200 0.056 0.000 1.132 132 S HN 0.641 nan 8.310 nan 0.000 0.492 133 S N 1.398 117.112 115.700 0.023 0.000 2.387 133 S HA -0.161 4.309 4.470 -0.000 0.000 0.230 133 S C 1.313 175.918 174.600 0.009 0.000 1.035 133 S CA 2.025 60.233 58.200 0.013 0.000 1.014 133 S CB -0.354 62.852 63.200 0.011 0.000 0.836 133 S HN 0.812 nan 8.310 nan 0.000 0.466 134 E N -0.483 119.723 120.200 0.011 0.000 2.474 134 E HA 0.204 4.554 4.350 -0.000 0.000 0.215 134 E C -0.504 176.101 176.600 0.009 0.000 0.867 134 E CA -0.193 56.211 56.400 0.007 0.000 1.135 134 E CB 0.218 29.920 29.700 0.003 0.000 1.147 134 E HN 0.230 nan 8.360 nan 0.000 0.534 135 D N 1.219 121.629 120.400 0.017 0.000 2.229 135 D HA 0.341 4.981 4.640 -0.000 0.000 0.249 135 D C -0.701 175.614 176.300 0.025 0.000 1.027 135 D CA -0.525 53.486 54.000 0.018 0.000 0.923 135 D CB 2.908 43.724 40.800 0.026 0.000 1.174 135 D HN -0.145 nan 8.370 nan 0.000 0.443 136 V N 3.052 122.974 119.914 0.013 0.000 2.538 136 V HA 0.138 4.258 4.120 -0.000 0.000 0.265 136 V C -0.222 175.868 176.094 -0.007 0.000 0.977 136 V CA -0.643 61.666 62.300 0.015 0.000 0.852 136 V CB 1.036 32.862 31.823 0.005 0.000 1.058 136 V HN 0.392 nan 8.190 nan 0.000 0.462 137 I N 3.718 124.285 120.570 -0.004 0.000 2.441 137 I HA 0.641 4.811 4.170 -0.000 0.000 0.287 137 I C 0.634 176.706 176.117 -0.075 0.000 1.049 137 I CA 0.866 62.098 61.300 -0.113 0.000 1.381 137 I CB 1.244 39.102 38.000 -0.237 0.000 1.409 137 I HN 0.569 nan 8.210 nan 0.000 0.523 138 T N 4.914 119.391 114.554 -0.129 0.000 2.653 138 T HA 0.345 4.695 4.350 -0.000 0.000 0.306 138 T C 1.354 176.008 174.700 -0.077 0.000 1.426 138 T CA -0.686 61.383 62.100 -0.052 0.000 1.008 138 T CB 1.013 69.881 68.868 0.000 0.000 1.692 138 T HN 0.146 nan 8.240 nan 0.000 0.483 139 I N 1.169 121.729 120.570 -0.016 0.000 2.720 139 I HA -0.292 3.878 4.170 -0.000 0.000 0.208 139 I C 2.508 178.609 176.117 -0.027 0.000 0.908 139 I CA 1.951 63.247 61.300 -0.007 0.000 1.222 139 I CB -1.052 36.956 38.000 0.014 0.000 0.933 139 I HN 0.635 nan 8.210 nan 0.000 0.360 140 K N 1.249 121.636 120.400 -0.021 0.000 2.002 140 K HA -0.075 4.245 4.320 -0.000 0.000 0.209 140 K C 0.966 177.542 176.600 -0.040 0.000 1.048 140 K CA 0.929 57.203 56.287 -0.022 0.000 0.930 140 K CB -1.064 31.427 32.500 -0.014 0.000 0.714 140 K HN 0.687 nan 8.250 nan 0.000 0.438 141 S N 2.377 118.044 115.700 -0.055 0.000 3.805 141 S HA -0.173 4.297 4.470 -0.000 0.000 0.456 141 S C 0.042 174.598 174.600 -0.073 0.000 1.125 141 S CA 0.223 58.382 58.200 -0.069 0.000 0.905 141 S CB -0.291 62.849 63.200 -0.100 0.000 0.653 141 S HN 0.147 nan 8.310 nan 0.000 0.483 142 R N 2.093 122.566 120.500 -0.044 0.000 2.265 142 R HA 0.533 4.873 4.340 -0.000 0.000 0.314 142 R C -0.246 176.039 176.300 -0.024 0.000 1.053 142 R CA -0.536 55.548 56.100 -0.026 0.000 0.931 142 R CB 0.430 30.724 30.300 -0.010 0.000 1.024 142 R HN 0.545 nan 8.270 nan 0.000 0.457 143 I N 1.400 121.965 120.570 -0.008 0.000 3.573 143 I HA 0.475 4.645 4.170 -0.000 0.000 0.285 143 I C 0.029 176.176 176.117 0.050 0.000 1.203 143 I CA -0.884 60.427 61.300 0.020 0.000 1.033 143 I CB 0.951 38.982 38.000 0.052 0.000 1.348 143 I HN 0.420 nan 8.210 nan 0.000 0.525 144 R N 0.900 121.442 120.500 0.069 0.000 2.518 144 R HA 0.679 5.019 4.340 -0.000 0.000 0.287 144 R C -2.141 174.206 176.300 0.078 0.000 1.135 144 R CA -0.317 55.825 56.100 0.069 0.000 0.967 144 R CB 1.306 31.642 30.300 0.059 0.000 1.212 144 R HN 0.435 nan 8.270 nan 0.000 0.422 145 V N 2.364 122.326 119.914 0.079 0.000 3.177 145 V HA 0.567 4.687 4.120 -0.000 0.000 0.319 145 V C -0.402 175.727 176.094 0.058 0.000 1.125 145 V CA -1.008 61.331 62.300 0.065 0.000 1.029 145 V CB 1.922 33.779 31.823 0.057 0.000 1.119 145 V HN 0.685 nan 8.190 nan 0.000 0.452 146 K N 1.252 121.677 120.400 0.041 0.000 2.450 146 K HA 0.540 4.860 4.320 -0.000 0.000 0.257 146 K C -1.110 175.511 176.600 0.035 0.000 0.953 146 K CA -0.593 55.719 56.287 0.041 0.000 0.844 146 K CB 1.193 33.713 32.500 0.033 0.000 1.103 146 K HN 0.664 nan 8.250 nan 0.000 0.429 147 I N 5.207 125.808 120.570 0.052 0.000 2.471 147 I HA -0.034 4.136 4.170 -0.000 0.000 0.294 147 I C 1.162 177.305 176.117 0.042 0.000 1.123 147 I CA -0.021 61.310 61.300 0.052 0.000 1.336 147 I CB 0.664 38.708 38.000 0.074 0.000 1.430 147 I HN 0.674 nan 8.210 nan 0.000 0.533 148 E N 4.675 124.889 120.200 0.024 0.000 2.358 148 E HA 0.090 4.440 4.350 -0.000 0.000 0.195 148 E C 0.863 177.479 176.600 0.027 0.000 1.010 148 E CA 0.146 56.559 56.400 0.021 0.000 0.856 148 E CB 0.468 30.171 29.700 0.004 0.000 0.795 148 E HN 0.824 nan 8.360 nan 0.000 0.504 149 G N -0.405 108.415 108.800 0.032 0.000 2.691 149 G HA2 0.306 4.266 3.960 -0.000 0.000 0.298 149 G HA3 0.306 4.266 3.960 -0.000 0.000 0.298 149 G C -1.378 173.542 174.900 0.033 0.000 1.471 149 G CA -0.643 44.476 45.100 0.032 0.000 0.912 149 G HN 0.028 nan 8.290 nan 0.000 0.553 150 C N 2.023 121.332 119.300 0.016 0.000 2.382 150 C HA 0.777 5.237 4.460 -0.000 0.000 0.327 150 C C -0.267 174.723 174.990 -0.001 0.000 1.250 150 C CA -0.639 58.378 59.018 -0.002 0.000 1.707 150 C CB 0.520 28.223 27.740 -0.062 0.000 2.272 150 C HN 0.552 nan 8.230 nan 0.000 0.506 151 I N 3.767 124.348 120.570 0.018 0.000 2.439 151 I HA 0.284 4.454 4.170 -0.000 0.000 0.285 151 I C 0.552 176.671 176.117 0.004 0.000 1.021 151 I CA 0.102 61.416 61.300 0.024 0.000 1.091 151 I CB 1.613 39.653 38.000 0.067 0.000 1.242 151 I HN 0.777 nan 8.210 nan 0.000 0.439 152 S N 6.054 121.743 115.700 -0.019 0.000 2.592 152 S HA 0.590 5.060 4.470 -0.000 0.000 0.271 152 S C -0.329 174.267 174.600 -0.006 0.000 1.326 152 S CA -0.472 57.707 58.200 -0.035 0.000 1.024 152 S CB 2.215 65.390 63.200 -0.043 0.000 0.921 152 S HN 0.698 nan 8.310 nan 0.000 0.527 153 Q N 1.525 121.315 119.800 -0.016 0.000 2.548 153 Q HA 0.332 4.672 4.340 -0.000 0.000 0.232 153 Q C -0.130 175.874 176.000 0.008 0.000 0.838 153 Q CA -0.352 55.464 55.803 0.021 0.000 1.032 153 Q CB 0.824 29.619 28.738 0.095 0.000 1.548 153 Q HN 0.769 nan 8.270 nan 0.000 0.479 154 V N 1.738 121.653 119.914 0.001 0.000 0.677 154 V HA -0.456 3.664 4.120 -0.000 0.000 0.092 154 V C 0.396 176.469 176.094 -0.035 0.000 0.988 154 V CA 2.464 64.759 62.300 -0.008 0.000 3.141 154 V CB -1.638 30.190 31.823 0.008 0.000 0.307 154 V HN 1.034 nan 8.190 nan 0.000 0.273 155 S N 0.635 116.310 115.700 -0.042 0.000 2.139 155 S HA 0.738 5.208 4.470 -0.000 0.000 0.183 155 S C -0.482 174.031 174.600 -0.145 0.000 1.473 155 S CA 0.460 58.602 58.200 -0.096 0.000 1.263 155 S CB 1.041 64.200 63.200 -0.067 0.000 1.170 155 S HN 2.114 nan 8.310 nan 0.000 0.430 156 S N 0.338 115.933 115.700 -0.176 0.000 2.631 156 S HA 0.606 5.077 4.470 -0.000 0.000 0.267 156 S C -1.702 172.794 174.600 -0.173 0.000 1.096 156 S CA -1.149 56.941 58.200 -0.183 0.000 0.911 156 S CB 0.090 63.274 63.200 -0.027 0.000 1.175 156 S HN 0.456 nan 8.310 nan 0.000 0.478 157 I N 1.327 121.750 120.570 -0.244 0.000 2.752 157 I HA 0.547 4.717 4.170 -0.000 0.000 0.295 157 I C -1.227 174.523 176.117 -0.612 0.000 1.219 157 I CA -0.545 60.581 61.300 -0.291 0.000 1.030 157 I CB 2.335 40.337 38.000 0.003 0.000 1.259 157 I HN 0.707 nan 8.210 nan 0.000 0.423 158 H N 3.081 122.203 119.070 0.086 0.000 2.908 158 H HA 0.911 5.467 4.556 -0.000 0.000 0.350 158 H C -0.888 174.476 175.328 0.060 0.000 1.217 158 H CA -1.045 55.050 56.048 0.079 0.000 1.168 158 H CB 2.295 32.098 29.762 0.069 0.000 1.891 158 H HN 0.723 nan 8.280 nan 0.000 0.566 159 A N 0.813 123.764 122.820 0.218 0.000 2.605 159 A HA 0.516 4.836 4.320 -0.000 0.000 0.294 159 A C -1.563 176.096 177.584 0.124 0.000 1.062 159 A CA -0.593 51.523 52.037 0.131 0.000 0.682 159 A CB 0.946 19.998 19.000 0.086 0.000 1.278 159 A HN 0.376 nan 8.150 nan 0.000 0.410 160 I N 0.965 121.583 120.570 0.079 0.000 2.385 160 I HA 0.614 4.784 4.170 -0.000 0.000 0.294 160 I C 0.829 176.940 176.117 -0.011 0.000 0.988 160 I CA 0.068 61.388 61.300 0.032 0.000 1.265 160 I CB 1.845 39.859 38.000 0.024 0.000 1.388 160 I HN 0.797 nan 8.210 nan 0.000 0.480 161 G N 3.135 111.890 108.800 -0.076 0.000 2.687 161 G HA2 0.612 4.572 3.960 -0.000 0.000 0.301 161 G HA3 0.612 4.572 3.960 -0.000 0.000 0.301 161 G C -0.824 174.002 174.900 -0.123 0.000 1.416 161 G CA -0.565 44.496 45.100 -0.064 0.000 1.005 161 G HN 0.670 nan 8.290 nan 0.000 0.509 162 S N 0.366 116.022 115.700 -0.074 0.000 2.687 162 S HA 0.692 5.162 4.470 -0.000 0.000 0.283 162 S C 0.706 175.281 174.600 -0.043 0.000 1.170 162 S CA -0.557 57.595 58.200 -0.079 0.000 1.008 162 S CB 1.442 64.617 63.200 -0.042 0.000 1.026 162 S HN 1.235 nan 8.310 nan 0.000 0.541 163 I N -3.149 117.399 120.570 -0.036 0.000 3.820 163 I HA 0.439 4.609 4.170 -0.000 0.000 0.323 163 I C 0.978 177.104 176.117 0.015 0.000 1.482 163 I CA -0.538 60.767 61.300 0.008 0.000 1.048 163 I CB 0.128 38.148 38.000 0.034 0.000 1.436 163 I HN 0.619 nan 8.210 nan 0.000 0.575 164 K N 1.555 121.958 120.400 0.006 0.000 2.228 164 K HA 0.090 4.410 4.320 -0.000 0.000 0.202 164 K C 0.919 177.533 176.600 0.024 0.000 1.051 164 K CA 0.564 56.860 56.287 0.015 0.000 0.960 164 K CB 0.357 32.863 32.500 0.011 0.000 0.743 164 K HN 0.383 nan 8.250 nan 0.000 0.458 165 E N 1.434 121.652 120.200 0.030 0.000 2.683 165 E HA -0.062 4.288 4.350 -0.000 0.000 0.266 165 E C -0.067 176.568 176.600 0.058 0.000 1.434 165 E CA 0.367 56.795 56.400 0.047 0.000 1.137 165 E CB 0.192 29.925 29.700 0.056 0.000 0.992 165 E HN 0.188 nan 8.360 nan 0.000 0.607 166 D N -1.286 119.171 120.400 0.096 0.000 2.451 166 D HA 0.068 4.708 4.640 -0.000 0.000 0.259 166 D C 0.169 176.589 176.300 0.200 0.000 1.201 166 D CA -0.283 53.773 54.000 0.094 0.000 1.028 166 D CB 0.289 41.172 40.800 0.138 0.000 1.095 166 D HN 0.375 nan 8.370 nan 0.000 0.539 167 Y N -1.863 118.444 120.300 0.012 0.000 4.755 167 Y HA -0.295 4.255 4.550 -0.000 0.000 0.219 167 Y C 0.660 176.569 175.900 0.015 0.000 1.022 167 Y CA 0.357 58.464 58.100 0.011 0.000 1.913 167 Y CB -1.551 36.915 38.460 0.009 0.000 1.614 167 Y HN 0.197 nan 8.280 nan 0.000 0.585 168 L N -1.305 119.988 121.223 0.116 0.000 2.492 168 L HA 0.816 5.156 4.340 -0.000 0.000 0.263 168 L C 1.223 178.125 176.870 0.054 0.000 1.062 168 L CA -0.104 54.787 54.840 0.085 0.000 0.817 168 L CB 1.256 43.359 42.059 0.074 0.000 1.441 168 L HN 0.273 nan 8.230 nan 0.000 0.493 169 G N -0.311 108.524 108.800 0.058 0.000 2.341 169 G HA2 0.155 4.115 3.960 -0.000 0.000 0.196 169 G HA3 0.155 4.115 3.960 -0.000 0.000 0.196 169 G C -1.262 173.663 174.900 0.042 0.000 1.231 169 G CA -0.184 44.946 45.100 0.050 0.000 1.155 169 G HN 0.941 nan 8.290 nan 0.000 0.529 170 A N -0.723 122.108 122.820 0.019 0.000 2.288 170 A HA 1.006 5.326 4.320 -0.000 0.000 0.328 170 A C -0.064 177.524 177.584 0.006 0.000 1.123 170 A CA 0.311 52.349 52.037 0.002 0.000 0.861 170 A CB 1.002 19.987 19.000 -0.026 0.000 1.272 170 A HN 2.163 nan 8.150 nan 0.000 0.490 171 I N 0.000 120.572 120.570 0.003 0.000 2.984 171 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 171 I CA 0.000 61.304 61.300 0.006 0.000 1.566 171 I CB 0.000 38.010 38.000 0.016 0.000 1.214 171 I HN 0.000 nan 8.210 nan 0.000 0.494