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 2vum_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 0.000 176.293 176.300 -0.012 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.795 32.600 0.326 0.000 1.302 2 F N 1.552 121.465 119.950 -0.062 0.000 2.429 2 F HA 0.564 5.091 4.527 -0.000 0.000 0.348 2 F C 0.173 175.875 175.800 -0.163 0.000 1.109 2 F CA 0.413 58.479 58.000 0.110 0.000 1.232 2 F CB 0.296 39.350 39.000 0.089 0.000 1.157 2 F HN -0.095 nan 8.300 nan 0.000 0.564 3 F N 1.728 121.832 119.950 0.256 0.000 2.664 3 F HA 0.621 5.148 4.527 -0.000 0.000 0.329 3 F C -0.257 175.623 175.800 0.134 0.000 1.090 3 F CA -1.045 57.056 58.000 0.168 0.000 0.978 3 F CB 1.394 40.471 39.000 0.128 0.000 1.378 3 F HN 0.047 nan 8.300 nan 0.000 0.495 4 I N 2.075 122.835 120.570 0.317 0.000 2.698 4 I HA 0.218 4.388 4.170 -0.000 0.000 0.276 4 I C -0.913 175.281 176.117 0.129 0.000 1.166 4 I CA -0.578 60.823 61.300 0.169 0.000 1.101 4 I CB 1.152 39.221 38.000 0.115 0.000 1.305 4 I HN 0.324 nan 8.210 nan 0.000 0.526 5 K N 3.709 124.170 120.400 0.103 0.000 2.172 5 K HA 0.246 4.566 4.320 -0.000 0.000 0.276 5 K C -0.313 176.288 176.600 0.002 0.000 1.013 5 K CA -0.289 56.040 56.287 0.071 0.000 0.913 5 K CB 0.794 33.354 32.500 0.100 0.000 1.055 5 K HN 0.232 nan 8.250 nan 0.000 0.461 6 D N 5.764 126.179 120.400 0.026 0.000 2.483 6 D HA 0.106 4.746 4.640 -0.000 0.000 0.220 6 D C 0.137 176.461 176.300 0.040 0.000 1.173 6 D CA 0.088 54.096 54.000 0.012 0.000 0.964 6 D CB 0.093 40.919 40.800 0.043 0.000 1.046 6 D HN 0.354 nan 8.370 nan 0.000 0.517 7 L N 0.551 121.777 121.223 0.004 0.000 2.770 7 L HA 0.522 4.862 4.340 -0.000 0.000 0.229 7 L C 0.965 178.012 176.870 0.294 0.000 1.173 7 L CA -0.632 54.263 54.840 0.092 0.000 0.871 7 L CB 0.529 42.614 42.059 0.042 0.000 1.682 7 L HN 0.251 nan 8.230 nan 0.000 0.523 8 S N -0.386 115.436 115.700 0.204 0.000 2.587 8 S HA 0.747 5.217 4.470 -0.000 0.000 0.269 8 S C -1.396 173.137 174.600 -0.113 0.000 1.154 8 S CA -0.794 57.422 58.200 0.027 0.000 0.824 8 S CB 1.997 65.204 63.200 0.011 0.000 1.118 8 S HN 0.520 nan 8.310 nan 0.000 0.462 9 L N 0.901 122.000 121.223 -0.206 0.000 2.465 9 L HA 0.788 5.128 4.340 -0.000 0.000 0.257 9 L C -1.965 174.837 176.870 -0.112 0.000 0.988 9 L CA -0.338 54.395 54.840 -0.178 0.000 0.827 9 L CB 2.255 44.159 42.059 -0.258 0.000 1.397 9 L HN 0.879 nan 8.230 nan 0.000 0.410 10 N N 2.952 121.612 118.700 -0.066 0.000 2.372 10 N HA 0.776 5.516 4.740 -0.000 0.000 0.291 10 N C -1.450 174.061 175.510 0.002 0.000 1.024 10 N CA -0.150 52.891 53.050 -0.015 0.000 0.873 10 N CB 1.737 40.218 38.487 -0.009 0.000 1.206 10 N HN 0.505 nan 8.380 nan 0.000 0.486 11 I N 0.772 121.375 120.570 0.056 0.000 2.533 11 I HA 0.335 4.505 4.170 -0.000 0.000 0.290 11 I C -0.282 175.923 176.117 0.147 0.000 1.056 11 I CA -0.741 60.606 61.300 0.079 0.000 1.057 11 I CB 2.238 40.276 38.000 0.064 0.000 1.240 11 I HN 0.268 nan 8.210 nan 0.000 0.423 12 T N 6.306 120.932 114.554 0.120 0.000 2.909 12 T HA 0.544 4.894 4.350 -0.000 0.000 0.286 12 T C -0.469 174.346 174.700 0.192 0.000 1.002 12 T CA -0.415 61.765 62.100 0.132 0.000 1.074 12 T CB 1.451 70.364 68.868 0.076 0.000 0.984 12 T HN 0.330 nan 8.240 nan 0.000 0.495 13 L N 2.819 124.191 121.223 0.247 0.000 2.406 13 L HA 0.403 4.743 4.340 -0.000 0.000 0.272 13 L C -0.493 176.524 176.870 0.245 0.000 0.980 13 L CA -1.005 54.014 54.840 0.297 0.000 0.831 13 L CB 1.568 43.894 42.059 0.445 0.000 1.253 13 L HN 0.782 nan 8.230 nan 0.000 0.406 14 H N 6.392 125.430 119.070 -0.053 0.000 2.871 14 H HA 0.153 4.709 4.556 -0.000 0.000 0.355 14 H C -2.052 173.184 175.328 -0.153 0.000 1.092 14 H CA -0.899 55.034 56.048 -0.192 0.000 1.420 14 H CB 1.156 30.677 29.762 -0.403 0.000 1.400 14 H HN 0.354 nan 8.280 nan 0.000 0.604 15 P HA -0.199 nan 4.420 nan 0.000 0.219 15 P C 1.667 178.549 177.300 -0.697 0.000 1.146 15 P CA 1.758 64.170 63.100 -1.147 0.000 0.808 15 P CB 0.070 31.184 31.700 -0.976 0.000 0.779 16 S N -0.173 114.955 115.700 -0.954 0.000 2.380 16 S HA -0.222 4.248 4.470 -0.000 0.000 0.229 16 S C 1.389 176.093 174.600 0.173 0.000 1.050 16 S CA 1.399 59.426 58.200 -0.289 0.000 1.100 16 S CB -1.419 61.718 63.200 -0.105 0.000 0.984 16 S HN 0.163 nan 8.310 nan 0.000 0.434 17 F N 0.575 120.526 119.950 0.001 0.000 2.697 17 F HA 0.154 4.681 4.527 -0.000 0.000 0.298 17 F C 0.058 175.961 175.800 0.172 0.000 1.308 17 F CA -0.582 57.422 58.000 0.006 0.000 1.447 17 F CB -0.423 38.477 39.000 -0.167 0.000 1.082 17 F HN 0.165 nan 8.300 nan 0.000 0.517 18 F N 1.029 121.024 119.950 0.075 0.000 2.949 18 F HA 0.281 4.808 4.527 -0.000 0.000 0.291 18 F C 1.360 177.182 175.800 0.037 0.000 1.214 18 F CA -1.010 57.020 58.000 0.050 0.000 1.381 18 F CB -0.780 38.226 39.000 0.010 0.000 1.066 18 F HN -0.099 nan 8.300 nan 0.000 0.520 19 G N 1.206 110.083 108.800 0.129 0.000 2.489 19 G HA2 0.177 4.137 3.960 -0.000 0.000 0.271 19 G HA3 0.177 4.137 3.960 -0.000 0.000 0.271 19 G C -0.987 173.928 174.900 0.025 0.000 1.427 19 G CA -0.439 44.700 45.100 0.065 0.000 1.057 19 G HN 0.161 nan 8.290 nan 0.000 0.532 20 P HA 0.087 nan 4.420 nan 0.000 0.222 20 P C 0.641 177.937 177.300 -0.007 0.000 1.157 20 P CA 0.416 63.519 63.100 0.004 0.000 0.816 20 P CB 0.559 32.264 31.700 0.008 0.000 0.813 21 R N 0.733 121.229 120.500 -0.006 0.000 2.575 21 R HA 0.311 4.651 4.340 -0.000 0.000 0.281 21 R C 0.915 177.213 176.300 -0.004 0.000 1.272 21 R CA -0.335 55.761 56.100 -0.006 0.000 1.417 21 R CB -0.314 29.986 30.300 0.000 0.000 1.121 21 R HN 0.257 nan 8.270 nan 0.000 0.583 22 M N 1.417 121.000 119.600 -0.028 0.000 2.556 22 M HA 0.023 4.503 4.480 -0.000 0.000 0.259 22 M C 1.637 177.899 176.300 -0.063 0.000 1.175 22 M CA 1.163 56.439 55.300 -0.041 0.000 1.202 22 M CB 0.024 32.549 32.600 -0.124 0.000 1.298 22 M HN 0.238 nan 8.290 nan 0.000 0.492 23 K N 0.585 120.923 120.400 -0.104 0.000 2.127 23 K HA -0.346 3.974 4.320 -0.000 0.000 0.212 23 K C 2.041 178.598 176.600 -0.072 0.000 1.050 23 K CA 2.706 58.918 56.287 -0.125 0.000 0.929 23 K CB -0.332 32.126 32.500 -0.070 0.000 0.715 23 K HN 0.595 nan 8.250 nan 0.000 0.457 24 Q N -0.687 119.109 119.800 -0.007 0.000 2.030 24 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 24 Q C 2.028 178.044 176.000 0.026 0.000 0.986 24 Q CA 2.146 57.972 55.803 0.039 0.000 0.843 24 Q CB -0.459 28.308 28.738 0.048 0.000 0.904 24 Q HN 0.518 nan 8.270 nan 0.000 0.420 25 Y N 0.422 120.676 120.300 -0.077 0.000 2.224 25 Y HA -0.195 4.355 4.550 -0.000 0.000 0.289 25 Y C 1.734 177.591 175.900 -0.072 0.000 1.146 25 Y CA 1.587 59.640 58.100 -0.078 0.000 1.182 25 Y CB -0.063 38.341 38.460 -0.094 0.000 0.983 25 Y HN 0.153 nan 8.280 nan 0.000 0.524 26 L N -0.080 121.101 121.223 -0.071 0.000 1.970 26 L HA -0.303 4.037 4.340 -0.000 0.000 0.212 26 L C 2.454 179.169 176.870 -0.260 0.000 1.071 26 L CA 1.981 56.709 54.840 -0.186 0.000 0.751 26 L CB -0.791 41.081 42.059 -0.312 0.000 0.889 26 L HN 0.158 nan 8.230 nan 0.000 0.432 27 K N -0.315 119.940 120.400 -0.242 0.000 2.015 27 K HA -0.229 4.091 4.320 -0.000 0.000 0.220 27 K C 1.979 178.410 176.600 -0.283 0.000 1.055 27 K CA 2.344 58.452 56.287 -0.298 0.000 0.951 27 K CB -0.605 31.729 32.500 -0.277 0.000 0.725 27 K HN 0.301 nan 8.250 nan 0.000 0.449 28 T N 1.012 115.433 114.554 -0.221 0.000 2.849 28 T HA -0.155 4.195 4.350 -0.000 0.000 0.270 28 T C 1.779 176.307 174.700 -0.286 0.000 1.066 28 T CA 1.372 63.349 62.100 -0.204 0.000 1.130 28 T CB -0.044 68.717 68.868 -0.178 0.000 0.864 28 T HN 0.263 nan 8.240 nan 0.000 0.481 29 K N 0.207 120.359 120.400 -0.414 0.000 2.167 29 K HA 0.049 4.369 4.320 -0.000 0.000 0.203 29 K C 2.110 178.587 176.600 -0.205 0.000 1.052 29 K CA 0.325 56.407 56.287 -0.341 0.000 0.956 29 K CB -0.185 32.087 32.500 -0.380 0.000 0.735 29 K HN 0.132 nan 8.250 nan 0.000 0.451 30 L N 1.839 122.928 121.223 -0.224 0.000 1.956 30 L HA -0.227 4.113 4.340 -0.000 0.000 0.216 30 L C 1.793 178.573 176.870 -0.149 0.000 1.073 30 L CA 1.813 56.526 54.840 -0.212 0.000 0.762 30 L CB -0.766 41.122 42.059 -0.285 0.000 0.889 30 L HN 0.207 nan 8.230 nan 0.000 0.433 31 L N -0.452 120.688 121.223 -0.138 0.000 2.051 31 L HA -0.283 4.057 4.340 -0.000 0.000 0.214 31 L C 2.485 179.328 176.870 -0.046 0.000 1.076 31 L CA 1.918 56.718 54.840 -0.067 0.000 0.758 31 L CB -0.968 41.057 42.059 -0.057 0.000 0.890 31 L HN 0.451 nan 8.230 nan 0.000 0.433 32 E N -0.163 119.995 120.200 -0.070 0.000 2.338 32 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 32 E C 1.640 178.218 176.600 -0.036 0.000 1.007 32 E CA 0.820 57.192 56.400 -0.047 0.000 0.849 32 E CB 0.022 29.687 29.700 -0.059 0.000 0.774 32 E HN 0.620 nan 8.360 nan 0.000 0.506 33 E N -0.093 120.078 120.200 -0.049 0.000 2.447 33 E HA 0.020 4.370 4.350 -0.000 0.000 0.204 33 E C 1.554 178.137 176.600 -0.029 0.000 0.977 33 E CA 0.040 56.416 56.400 -0.040 0.000 0.950 33 E CB 0.939 30.608 29.700 -0.052 0.000 0.975 33 E HN 0.017 nan 8.360 nan 0.000 0.496 34 V N 0.835 120.741 119.914 -0.013 0.000 2.784 34 V HA -0.024 4.096 4.120 -0.000 0.000 0.231 34 V C 0.526 176.645 176.094 0.042 0.000 1.128 34 V CA 0.161 62.481 62.300 0.035 0.000 1.178 34 V CB -0.102 31.798 31.823 0.127 0.000 0.943 34 V HN 0.074 nan 8.190 nan 0.000 0.500 35 E N 1.605 121.838 120.200 0.054 0.000 2.734 35 E HA 0.240 4.590 4.350 -0.000 0.000 0.235 35 E C 0.931 177.553 176.600 0.037 0.000 1.107 35 E CA 0.923 57.355 56.400 0.053 0.000 0.951 35 E CB -0.421 29.311 29.700 0.054 0.000 0.955 35 E HN 0.739 nan 8.360 nan 0.000 0.515 36 G N 2.592 111.412 108.800 0.034 0.000 2.205 36 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.180 36 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.180 36 G C 0.424 175.297 174.900 -0.044 0.000 1.004 36 G CA 0.060 45.170 45.100 0.017 0.000 0.670 36 G HN 0.604 nan 8.290 nan 0.000 0.496 37 S N -1.276 114.391 115.700 -0.054 0.000 2.652 37 S HA 0.716 5.186 4.470 -0.000 0.000 0.267 37 S C 0.208 174.680 174.600 -0.212 0.000 1.201 37 S CA -0.089 58.051 58.200 -0.101 0.000 0.996 37 S CB 2.100 65.265 63.200 -0.058 0.000 1.054 37 S HN 1.794 nan 8.310 nan 0.000 0.561 38 C N 1.353 120.515 119.300 -0.230 0.000 3.018 38 C HA 0.626 5.086 4.460 -0.000 0.000 0.413 38 C C -1.037 173.843 174.990 -0.182 0.000 1.015 38 C CA -0.141 58.666 59.018 -0.352 0.000 1.233 38 C CB 0.071 27.357 27.740 -0.757 0.000 1.630 38 C HN 1.031 nan 8.230 nan 0.000 0.532 39 T N 3.819 118.325 114.554 -0.081 0.000 2.886 39 T HA 0.469 4.819 4.350 -0.000 0.000 0.292 39 T C 1.143 175.823 174.700 -0.033 0.000 1.012 39 T CA 0.146 62.237 62.100 -0.014 0.000 0.982 39 T CB 1.826 70.756 68.868 0.104 0.000 1.018 39 T HN 0.993 nan 8.240 nan 0.000 0.451 40 G N 1.183 109.946 108.800 -0.062 0.000 2.470 40 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.220 40 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.220 40 G C 1.332 176.133 174.900 -0.165 0.000 1.121 40 G CA 0.641 45.674 45.100 -0.113 0.000 0.766 40 G HN 0.655 nan 8.290 nan 0.000 0.553 41 K N -0.701 119.623 120.400 -0.126 0.000 2.007 41 K HA 0.056 4.376 4.320 -0.000 0.000 0.206 41 K C 1.492 177.774 176.600 -0.530 0.000 1.047 41 K CA 1.020 57.133 56.287 -0.290 0.000 0.937 41 K CB -0.120 32.300 32.500 -0.132 0.000 0.718 41 K HN 0.355 nan 8.250 nan 0.000 0.438 42 F N -0.418 119.473 119.950 -0.097 0.000 2.704 42 F HA 0.282 4.809 4.527 -0.000 0.000 0.304 42 F C 1.081 176.821 175.800 -0.100 0.000 1.094 42 F CA 0.324 58.267 58.000 -0.096 0.000 1.275 42 F CB 1.110 40.076 39.000 -0.057 0.000 1.073 42 F HN 0.316 nan 8.300 nan 0.000 0.586 43 G N 0.048 108.860 108.800 0.019 0.000 2.484 43 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.225 43 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.225 43 G C -1.189 173.775 174.900 0.107 0.000 1.250 43 G CA -0.832 44.281 45.100 0.022 0.000 0.926 43 G HN -0.008 nan 8.290 nan 0.000 0.581 44 Y N 0.736 121.039 120.300 0.006 0.000 2.404 44 Y HA 0.556 5.106 4.550 -0.000 0.000 0.344 44 Y C 0.977 176.917 175.900 0.067 0.000 0.970 44 Y CA -0.819 57.313 58.100 0.053 0.000 1.180 44 Y CB 0.996 39.525 38.460 0.115 0.000 1.138 44 Y HN 0.389 nan 8.280 nan 0.000 0.510 45 I N 6.416 127.052 120.570 0.111 0.000 2.379 45 I HA 0.020 4.190 4.170 -0.000 0.000 0.290 45 I C 0.540 176.728 176.117 0.117 0.000 1.063 45 I CA 0.666 62.021 61.300 0.092 0.000 1.351 45 I CB 0.773 38.799 38.000 0.043 0.000 1.410 45 I HN 0.800 nan 8.210 nan 0.000 0.505 46 L N 5.734 127.037 121.223 0.133 0.000 2.600 46 L HA 0.267 4.607 4.340 -0.000 0.000 0.213 46 L C 0.471 177.402 176.870 0.101 0.000 1.045 46 L CA 0.476 55.397 54.840 0.135 0.000 0.863 46 L CB 0.544 42.702 42.059 0.165 0.000 1.189 46 L HN 0.502 nan 8.230 nan 0.000 0.484 47 C N 0.377 119.729 119.300 0.087 0.000 2.782 47 C HA 0.591 5.051 4.460 -0.000 0.000 0.328 47 C C -0.560 174.453 174.990 0.038 0.000 1.145 47 C CA -0.724 58.336 59.018 0.070 0.000 1.358 47 C CB 1.671 29.459 27.740 0.079 0.000 1.841 47 C HN -0.002 nan 8.230 nan 0.000 0.477 48 V N 7.174 127.116 119.914 0.047 0.000 2.364 48 V HA 0.346 4.466 4.120 -0.000 0.000 0.272 48 V C 0.565 176.689 176.094 0.050 0.000 1.036 48 V CA -0.261 62.056 62.300 0.027 0.000 0.880 48 V CB 0.708 32.593 31.823 0.103 0.000 0.991 48 V HN 0.723 nan 8.190 nan 0.000 0.460 49 L N 2.156 123.391 121.223 0.022 0.000 2.505 49 L HA 0.318 4.658 4.340 -0.000 0.000 0.226 49 L C 1.134 178.053 176.870 0.081 0.000 1.211 49 L CA -0.503 54.366 54.840 0.049 0.000 0.828 49 L CB -0.028 42.049 42.059 0.030 0.000 1.331 49 L HN 0.661 nan 8.230 nan 0.000 0.513 50 D N -0.058 120.392 120.400 0.084 0.000 3.137 50 D HA -0.288 4.352 4.640 -0.000 0.000 0.196 50 D C 0.721 177.121 176.300 0.167 0.000 1.270 50 D CA 0.751 54.813 54.000 0.103 0.000 0.716 50 D CB -0.226 40.619 40.800 0.075 0.000 0.891 50 D HN 0.606 nan 8.370 nan 0.000 0.396 51 Y N 2.126 122.444 120.300 0.030 0.000 2.044 51 Y HA -0.302 4.248 4.550 -0.000 0.000 0.264 51 Y C 2.249 178.160 175.900 0.018 0.000 1.111 51 Y CA 1.744 59.861 58.100 0.030 0.000 1.088 51 Y CB -0.233 38.238 38.460 0.018 0.000 0.981 51 Y HN 0.312 nan 8.280 nan 0.000 0.478 52 D N 0.478 121.150 120.400 0.453 0.000 4.269 52 D HA -0.370 4.270 4.640 -0.000 0.000 0.343 52 D C 0.379 176.802 176.300 0.206 0.000 1.351 52 D CA 2.424 56.560 54.000 0.227 0.000 1.052 52 D CB -0.875 39.962 40.800 0.061 0.000 0.912 52 D HN 0.603 nan 8.370 nan 0.000 0.642 53 N N 0.287 119.070 118.700 0.138 0.000 2.623 53 N HA 0.155 4.895 4.740 -0.000 0.000 0.263 53 N C -0.142 175.413 175.510 0.075 0.000 1.218 53 N CA -0.574 52.530 53.050 0.089 0.000 0.949 53 N CB 0.213 38.738 38.487 0.063 0.000 1.270 53 N HN 0.303 nan 8.380 nan 0.000 0.507 54 I N -0.017 120.596 120.570 0.073 0.000 2.892 54 I HA -0.049 4.121 4.170 -0.000 0.000 0.287 54 I C 0.697 176.814 176.117 -0.001 0.000 1.205 54 I CA 0.359 61.664 61.300 0.009 0.000 1.409 54 I CB 0.395 38.332 38.000 -0.105 0.000 1.367 54 I HN 0.137 nan 8.210 nan 0.000 0.597 55 D N 5.237 125.635 120.400 -0.003 0.000 2.233 55 D HA 0.347 4.987 4.640 -0.000 0.000 0.240 55 D C 0.496 176.779 176.300 -0.028 0.000 1.074 55 D CA -0.219 53.781 54.000 -0.001 0.000 0.838 55 D CB 1.514 42.328 40.800 0.023 0.000 1.124 55 D HN 0.378 nan 8.370 nan 0.000 0.475 56 I N 1.642 122.199 120.570 -0.022 0.000 3.300 56 I HA 0.004 4.174 4.170 -0.000 0.000 0.279 56 I C 0.620 176.793 176.117 0.093 0.000 1.172 56 I CA 0.016 61.304 61.300 -0.021 0.000 1.431 56 I CB 0.044 37.977 38.000 -0.112 0.000 1.240 56 I HN 0.424 nan 8.210 nan 0.000 0.453 57 Q N 1.260 121.107 119.800 0.078 0.000 2.873 57 Q HA -0.120 4.220 4.340 -0.000 0.000 0.029 57 Q C -0.420 175.677 176.000 0.163 0.000 1.603 57 Q CA 0.376 56.235 55.803 0.093 0.000 0.223 57 Q CB -0.254 28.530 28.738 0.076 0.000 2.716 57 Q HN 0.371 nan 8.270 nan 0.000 0.315 58 R N 0.216 120.778 120.500 0.104 0.000 2.543 58 R HA 0.379 4.719 4.340 -0.000 0.000 0.277 58 R C 0.437 176.738 176.300 0.002 0.000 1.074 58 R CA 0.677 56.834 56.100 0.093 0.000 1.076 58 R CB 0.520 30.838 30.300 0.030 0.000 0.993 58 R HN 0.580 nan 8.270 nan 0.000 0.459 59 G N 1.347 110.010 108.800 -0.228 0.000 2.417 59 G HA2 0.458 4.418 3.960 -0.000 0.000 0.334 59 G HA3 0.458 4.418 3.960 -0.000 0.000 0.334 59 G C -0.625 173.992 174.900 -0.472 0.000 1.150 59 G CA -0.839 43.789 45.100 -0.787 0.000 0.923 59 G HN 0.600 nan 8.290 nan 0.000 0.485 60 R N 0.374 120.663 120.500 -0.352 0.000 2.598 60 R HA 0.617 4.957 4.340 -0.000 0.000 0.279 60 R C -0.681 175.523 176.300 -0.160 0.000 0.984 60 R CA -0.826 55.160 56.100 -0.188 0.000 0.999 60 R CB 1.363 31.593 30.300 -0.116 0.000 1.114 60 R HN 0.318 nan 8.270 nan 0.000 0.493 61 I N 4.112 124.634 120.570 -0.081 0.000 2.301 61 I HA 0.125 4.295 4.170 -0.000 0.000 0.292 61 I C 0.204 176.298 176.117 -0.039 0.000 1.046 61 I CA -0.702 60.575 61.300 -0.040 0.000 1.282 61 I CB 0.941 38.936 38.000 -0.009 0.000 1.409 61 I HN 0.494 nan 8.210 nan 0.000 0.484 62 L N 8.897 130.099 121.223 -0.035 0.000 2.578 62 L HA -0.037 4.303 4.340 -0.000 0.000 0.279 62 L C -1.213 175.641 176.870 -0.027 0.000 1.227 62 L CA -0.776 54.046 54.840 -0.029 0.000 0.900 62 L CB 0.223 42.270 42.059 -0.020 0.000 1.144 62 L HN 0.408 nan 8.230 nan 0.000 0.496 63 P HA -0.126 nan 4.420 nan 0.000 0.214 63 P C 1.520 178.806 177.300 -0.024 0.000 1.163 63 P CA 1.117 64.202 63.100 -0.024 0.000 0.883 63 P CB 0.176 31.864 31.700 -0.020 0.000 0.788 64 T N 0.333 114.874 114.554 -0.021 0.000 2.544 64 T HA -0.158 4.192 4.350 -0.000 0.000 0.264 64 T C 1.094 175.779 174.700 -0.025 0.000 1.096 64 T CA 1.954 64.042 62.100 -0.021 0.000 1.181 64 T CB -1.098 67.759 68.868 -0.018 0.000 0.864 64 T HN 0.359 nan 8.240 nan 0.000 0.415 65 D N -0.540 119.845 120.400 -0.025 0.000 2.231 65 D HA 0.281 4.921 4.640 -0.000 0.000 0.287 65 D C 1.620 177.894 176.300 -0.044 0.000 1.160 65 D CA 0.518 54.502 54.000 -0.028 0.000 1.089 65 D CB -0.091 40.698 40.800 -0.018 0.000 1.158 65 D HN 0.417 nan 8.370 nan 0.000 0.494 66 G N -1.043 107.724 108.800 -0.056 0.000 2.797 66 G HA2 0.105 4.064 3.960 -0.000 0.000 0.209 66 G HA3 0.105 4.064 3.960 -0.000 0.000 0.209 66 G C 0.324 175.155 174.900 -0.114 0.000 1.080 66 G CA -0.033 45.001 45.100 -0.109 0.000 0.897 66 G HN 0.416 nan 8.290 nan 0.000 0.641 67 S N 0.584 116.254 115.700 -0.049 0.000 2.537 67 S HA 0.399 4.869 4.470 -0.000 0.000 0.280 67 S C 0.467 175.113 174.600 0.077 0.000 1.335 67 S CA 0.533 58.752 58.200 0.032 0.000 1.025 67 S CB 0.925 64.163 63.200 0.063 0.000 0.836 67 S HN 0.794 nan 8.310 nan 0.000 0.523 68 A N 1.250 124.183 122.820 0.189 0.000 2.337 68 A HA 0.595 4.915 4.320 -0.000 0.000 0.329 68 A C -0.285 177.226 177.584 -0.121 0.000 1.146 68 A CA -0.662 51.386 52.037 0.018 0.000 0.800 68 A CB 0.820 19.855 19.000 0.057 0.000 1.220 68 A HN 0.786 nan 8.150 nan 0.000 0.472 69 E N 1.581 121.613 120.200 -0.279 0.000 2.113 69 E HA 0.552 4.902 4.350 -0.000 0.000 0.273 69 E C -1.753 174.633 176.600 -0.356 0.000 0.924 69 E CA -0.216 56.071 56.400 -0.188 0.000 0.764 69 E CB 0.595 30.233 29.700 -0.104 0.000 1.104 69 E HN 0.479 nan 8.360 nan 0.000 0.406 70 F N 3.141 123.089 119.950 -0.004 0.000 2.458 70 F HA 0.302 4.829 4.527 -0.000 0.000 0.336 70 F C 0.626 176.398 175.800 -0.045 0.000 1.114 70 F CA -0.978 57.006 58.000 -0.026 0.000 0.987 70 F CB 1.420 40.398 39.000 -0.037 0.000 1.130 70 F HN 0.360 nan 8.300 nan 0.000 0.458 71 N N 3.394 122.174 118.700 0.133 0.000 2.817 71 N HA 0.196 4.936 4.740 -0.000 0.000 0.234 71 N C -1.204 174.321 175.510 0.025 0.000 1.066 71 N CA -0.099 52.979 53.050 0.046 0.000 0.926 71 N CB 0.765 39.265 38.487 0.021 0.000 1.176 71 N HN 0.310 nan 8.380 nan 0.000 0.506 72 V N 2.797 122.691 119.914 -0.034 0.000 2.479 72 V HA 0.068 4.188 4.120 -0.000 0.000 0.281 72 V C 0.672 176.682 176.094 -0.139 0.000 1.031 72 V CA -0.294 61.938 62.300 -0.114 0.000 1.038 72 V CB 0.420 32.102 31.823 -0.235 0.000 0.981 72 V HN 0.419 nan 8.190 nan 0.000 0.478 73 K N 6.843 127.213 120.400 -0.050 0.000 2.334 73 K HA 0.441 4.761 4.320 -0.000 0.000 0.265 73 K C -0.531 176.150 176.600 0.136 0.000 1.039 73 K CA -0.532 55.778 56.287 0.039 0.000 0.920 73 K CB 0.422 32.952 32.500 0.050 0.000 1.160 73 K HN 0.700 nan 8.250 nan 0.000 0.451 74 Y N 0.735 121.013 120.300 -0.035 0.000 3.114 74 Y HA 0.670 5.220 4.550 -0.000 0.000 0.325 74 Y C -0.540 175.353 175.900 -0.011 0.000 1.397 74 Y CA -1.766 56.315 58.100 -0.032 0.000 1.008 74 Y CB 1.094 39.520 38.460 -0.057 0.000 1.338 74 Y HN 0.338 nan 8.280 nan 0.000 0.730 75 R N 1.011 121.419 120.500 -0.153 0.000 2.561 75 R HA 0.698 5.038 4.340 -0.000 0.000 0.266 75 R C -2.223 173.844 176.300 -0.388 0.000 1.091 75 R CA -0.356 55.584 56.100 -0.267 0.000 0.927 75 R CB 2.274 32.536 30.300 -0.062 0.000 1.240 75 R HN 1.061 nan 8.270 nan 0.000 0.449 76 A N 2.534 125.143 122.820 -0.351 0.000 2.583 76 A HA 0.595 4.915 4.320 -0.000 0.000 0.289 76 A C -1.567 175.988 177.584 -0.049 0.000 1.151 76 A CA -0.580 51.322 52.037 -0.225 0.000 0.695 76 A CB 2.063 20.855 19.000 -0.347 0.000 1.290 76 A HN 0.346 nan 8.150 nan 0.000 0.419 77 V N 1.646 121.576 119.914 0.026 0.000 2.364 77 V HA 0.508 4.628 4.120 -0.000 0.000 0.272 77 V C -0.044 176.147 176.094 0.162 0.000 1.036 77 V CA 0.094 62.470 62.300 0.126 0.000 0.880 77 V CB 0.753 32.666 31.823 0.149 0.000 0.991 77 V HN 1.073 nan 8.190 nan 0.000 0.460 78 V N 3.387 123.429 119.914 0.212 0.000 3.113 78 V HA 0.777 4.897 4.120 -0.000 0.000 0.316 78 V C -0.970 175.286 176.094 0.271 0.000 1.125 78 V CA -1.104 61.329 62.300 0.221 0.000 1.026 78 V CB 2.192 34.120 31.823 0.174 0.000 1.080 78 V HN 0.651 nan 8.190 nan 0.000 0.444 79 F N 2.249 122.186 119.950 -0.022 0.000 2.787 79 F HA 0.686 5.213 4.527 -0.000 0.000 0.340 79 F C -0.884 174.857 175.800 -0.098 0.000 1.232 79 F CA -0.586 57.286 58.000 -0.212 0.000 1.051 79 F CB 1.510 40.008 39.000 -0.835 0.000 1.330 79 F HN 0.787 nan 8.300 nan 0.000 0.522 80 K N 8.015 128.074 120.400 -0.568 0.000 2.604 80 K HA 0.459 4.779 4.320 -0.000 0.000 0.247 80 K C -3.403 172.753 176.600 -0.741 0.000 0.956 80 K CA -1.680 54.217 56.287 -0.649 0.000 0.896 80 K CB 2.146 34.387 32.500 -0.431 0.000 1.131 80 K HN 0.354 nan 8.250 nan 0.000 0.440 81 P HA -0.010 nan 4.420 nan 0.000 0.264 81 P C -0.993 176.093 177.300 -0.357 0.000 1.179 81 P CA 0.203 63.053 63.100 -0.417 0.000 0.763 81 P CB 0.232 31.755 31.700 -0.295 0.000 0.806 82 F N 1.068 120.955 119.950 -0.104 0.000 2.575 82 F HA 0.412 4.939 4.527 -0.000 0.000 0.330 82 F C 1.283 177.063 175.800 -0.034 0.000 1.056 82 F CA -0.927 57.038 58.000 -0.059 0.000 0.964 82 F CB 1.374 40.358 39.000 -0.027 0.000 1.258 82 F HN 0.080 nan 8.300 nan 0.000 0.484 83 K N 0.156 120.662 120.400 0.177 0.000 2.258 83 K HA 0.416 4.736 4.320 -0.000 0.000 0.264 83 K C 0.951 177.610 176.600 0.098 0.000 1.007 83 K CA 0.497 56.842 56.287 0.097 0.000 0.941 83 K CB 0.262 32.801 32.500 0.066 0.000 0.966 83 K HN 0.872 nan 8.250 nan 0.000 0.480 84 G N 0.653 109.491 108.800 0.064 0.000 2.270 84 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.268 84 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.268 84 G C 0.180 175.113 174.900 0.055 0.000 0.982 84 G CA 0.607 45.736 45.100 0.050 0.000 0.628 84 G HN 0.703 nan 8.290 nan 0.000 0.544 85 E N 0.221 120.471 120.200 0.084 0.000 2.392 85 E HA 0.407 4.757 4.350 -0.000 0.000 0.264 85 E C -0.293 176.355 176.600 0.080 0.000 1.024 85 E CA -0.222 56.231 56.400 0.088 0.000 0.903 85 E CB 0.776 30.563 29.700 0.144 0.000 0.963 85 E HN 0.156 nan 8.360 nan 0.000 0.432 86 V N 5.653 125.611 119.914 0.072 0.000 2.409 86 V HA 0.395 4.515 4.120 -0.000 0.000 0.291 86 V C 0.010 176.157 176.094 0.088 0.000 1.020 86 V CA -0.446 61.897 62.300 0.071 0.000 0.848 86 V CB 1.157 33.009 31.823 0.049 0.000 0.990 86 V HN 0.582 nan 8.190 nan 0.000 0.430 87 V N 1.505 121.481 119.914 0.103 0.000 3.181 87 V HA 0.916 5.036 4.120 -0.000 0.000 0.307 87 V C -2.026 174.129 176.094 0.101 0.000 1.310 87 V CA -1.023 61.346 62.300 0.116 0.000 1.067 87 V CB 2.725 34.654 31.823 0.176 0.000 1.081 87 V HN 0.775 nan 8.190 nan 0.000 0.453 88 D N -0.382 120.074 120.400 0.092 0.000 2.934 88 D HA 0.796 5.436 4.640 -0.000 0.000 0.230 88 D C -0.110 176.231 176.300 0.067 0.000 1.204 88 D CA 0.104 54.150 54.000 0.077 0.000 0.873 88 D CB 1.596 42.430 40.800 0.055 0.000 1.645 88 D HN 1.192 nan 8.370 nan 0.000 0.502 89 G N -0.495 108.346 108.800 0.069 0.000 2.798 89 G HA2 0.587 4.547 3.960 -0.000 0.000 0.286 89 G HA3 0.587 4.547 3.960 -0.000 0.000 0.286 89 G C -0.902 174.023 174.900 0.041 0.000 1.389 89 G CA -0.905 44.227 45.100 0.054 0.000 0.894 89 G HN 0.380 nan 8.290 nan 0.000 0.488 90 T N 0.846 115.419 114.554 0.032 0.000 2.832 90 T HA 0.350 4.700 4.350 -0.000 0.000 0.296 90 T C 0.637 175.356 174.700 0.032 0.000 0.968 90 T CA -0.213 61.898 62.100 0.017 0.000 1.107 90 T CB 1.382 70.258 68.868 0.013 0.000 0.916 90 T HN 0.367 nan 8.240 nan 0.000 0.517 91 V N 4.872 124.782 119.914 -0.006 0.000 2.557 91 V HA -0.011 4.109 4.120 -0.000 0.000 0.301 91 V C 1.323 177.447 176.094 0.051 0.000 1.026 91 V CA 0.315 62.618 62.300 0.004 0.000 1.137 91 V CB 0.588 32.323 31.823 -0.146 0.000 0.917 91 V HN 0.847 nan 8.190 nan 0.000 0.484 92 V N 3.367 123.346 119.914 0.109 0.000 2.690 92 V HA 0.092 4.212 4.120 -0.000 0.000 0.240 92 V C 0.924 177.082 176.094 0.107 0.000 1.078 92 V CA 1.342 63.701 62.300 0.099 0.000 1.102 92 V CB 0.518 32.405 31.823 0.107 0.000 0.800 92 V HN 0.947 nan 8.190 nan 0.000 0.479 93 S N -1.712 114.079 115.700 0.151 0.000 2.740 93 S HA 0.697 5.167 4.470 -0.000 0.000 0.300 93 S C -1.003 173.738 174.600 0.234 0.000 1.147 93 S CA -0.521 57.772 58.200 0.154 0.000 0.871 93 S CB 2.205 65.476 63.200 0.119 0.000 1.173 93 S HN 0.369 nan 8.310 nan 0.000 0.510 94 C N 2.102 121.549 119.300 0.245 0.000 3.073 94 C HA 0.704 5.164 4.460 -0.000 0.000 0.412 94 C C -0.205 174.992 174.990 0.345 0.000 1.040 94 C CA 0.339 59.570 59.018 0.355 0.000 1.254 94 C CB 0.053 28.017 27.740 0.372 0.000 1.642 94 C HN 1.341 nan 8.230 nan 0.000 0.530 95 S N 4.186 120.044 115.700 0.263 0.000 2.801 95 S HA 0.503 4.973 4.470 -0.000 0.000 0.312 95 S C 0.915 175.153 174.600 -0.604 0.000 1.112 95 S CA -0.064 58.139 58.200 0.004 0.000 0.943 95 S CB 1.161 64.344 63.200 -0.028 0.000 1.269 95 S HN 0.891 nan 8.310 nan 0.000 0.558 96 Q N -0.300 118.749 119.800 -1.252 0.000 2.291 96 Q HA -0.065 4.275 4.340 -0.000 0.000 0.205 96 Q C 0.968 176.446 176.000 -0.871 0.000 0.970 96 Q CA 1.284 55.933 55.803 -1.925 0.000 0.876 96 Q CB -0.590 27.453 28.738 -1.159 0.000 0.935 96 Q HN 0.747 nan 8.270 nan 0.000 0.455 97 H N 0.043 118.956 119.070 -0.262 0.000 2.539 97 H HA 0.372 4.928 4.556 -0.000 0.000 0.269 97 H C 0.933 176.336 175.328 0.124 0.000 0.980 97 H CA 0.956 56.975 56.048 -0.049 0.000 1.152 97 H CB 1.120 30.896 29.762 0.024 0.000 1.407 97 H HN 0.441 nan 8.280 nan 0.000 0.564 98 G N 0.670 109.611 108.800 0.235 0.000 2.302 98 G HA2 0.151 4.111 3.960 -0.000 0.000 0.264 98 G HA3 0.151 4.111 3.960 -0.000 0.000 0.264 98 G C -1.753 173.289 174.900 0.236 0.000 1.335 98 G CA -0.462 44.638 45.100 -0.000 0.000 0.982 98 G HN 0.183 nan 8.290 nan 0.000 0.473 99 F N -0.656 119.294 119.950 0.000 0.000 2.601 99 F HA 0.907 5.434 4.527 -0.000 0.000 0.309 99 F C -0.783 175.156 175.800 0.231 0.000 1.089 99 F CA -1.421 56.663 58.000 0.142 0.000 0.940 99 F CB 2.027 40.991 39.000 -0.060 0.000 1.273 99 F HN 0.690 nan 8.300 nan 0.000 0.450 100 E N 1.794 122.338 120.200 0.572 0.000 2.204 100 E HA 0.708 5.058 4.350 -0.000 0.000 0.276 100 E C -1.568 175.268 176.600 0.395 0.000 0.974 100 E CA -0.899 55.769 56.400 0.447 0.000 0.815 100 E CB 2.041 31.922 29.700 0.301 0.000 1.119 100 E HN 0.658 nan 8.360 nan 0.000 0.393 101 V N 3.061 123.163 119.914 0.313 0.000 2.919 101 V HA 0.314 4.434 4.120 -0.000 0.000 0.316 101 V C -0.720 175.476 176.094 0.171 0.000 1.077 101 V CA -0.743 61.700 62.300 0.240 0.000 0.977 101 V CB 1.920 33.895 31.823 0.253 0.000 1.039 101 V HN 0.707 nan 8.190 nan 0.000 0.441 102 Q N 1.670 121.544 119.800 0.124 0.000 2.401 102 Q HA 0.540 4.880 4.340 -0.000 0.000 0.260 102 Q C -1.770 174.268 176.000 0.064 0.000 1.034 102 Q CA -0.332 55.528 55.803 0.095 0.000 0.737 102 Q CB 1.710 30.494 28.738 0.076 0.000 1.227 102 Q HN 0.603 nan 8.270 nan 0.000 0.488 103 V N 4.810 124.766 119.914 0.070 0.000 2.304 103 V HA 0.555 4.675 4.120 -0.000 0.000 0.269 103 V C 1.090 177.137 176.094 -0.079 0.000 1.036 103 V CA 0.433 62.762 62.300 0.047 0.000 0.840 103 V CB 0.008 31.915 31.823 0.141 0.000 1.036 103 V HN 1.052 nan 8.190 nan 0.000 0.466 104 G N 7.455 116.184 108.800 -0.118 0.000 2.611 104 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.301 104 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.301 104 G C -0.949 173.831 174.900 -0.199 0.000 1.233 104 G CA 0.307 45.276 45.100 -0.219 0.000 0.993 104 G HN 0.630 nan 8.290 nan 0.000 0.553 105 P HA 0.204 nan 4.420 nan 0.000 0.253 105 P C 0.455 177.572 177.300 -0.305 0.000 1.281 105 P CA 0.768 63.718 63.100 -0.251 0.000 0.792 105 P CB 0.053 31.560 31.700 -0.321 0.000 1.193 106 M N 0.134 119.626 119.600 -0.180 0.000 2.777 106 M HA 0.448 4.928 4.480 -0.000 0.000 0.307 106 M C -0.921 175.424 176.300 0.076 0.000 1.228 106 M CA -0.571 54.691 55.300 -0.063 0.000 0.871 106 M CB 2.456 35.099 32.600 0.070 0.000 1.721 106 M HN -0.396 nan 8.290 nan 0.000 0.487 107 K N 2.308 122.814 120.400 0.178 0.000 2.690 107 K HA 0.463 4.783 4.320 -0.000 0.000 0.243 107 K C -1.856 174.919 176.600 0.292 0.000 0.982 107 K CA -0.549 55.898 56.287 0.266 0.000 0.955 107 K CB 2.001 34.706 32.500 0.341 0.000 1.185 107 K HN 0.451 nan 8.250 nan 0.000 0.467 108 V N 3.692 123.732 119.914 0.209 0.000 2.472 108 V HA 0.424 4.544 4.120 -0.000 0.000 0.290 108 V C -0.509 175.695 176.094 0.183 0.000 1.037 108 V CA -0.818 61.588 62.300 0.176 0.000 0.908 108 V CB 0.993 32.890 31.823 0.123 0.000 0.985 108 V HN 0.534 nan 8.190 nan 0.000 0.454 109 F N 5.112 125.049 119.950 -0.022 0.000 2.443 109 F HA 0.736 5.263 4.527 -0.000 0.000 0.335 109 F C -0.386 175.285 175.800 -0.215 0.000 1.104 109 F CA -0.752 57.181 58.000 -0.110 0.000 1.013 109 F CB 1.665 40.607 39.000 -0.097 0.000 1.136 109 F HN 0.245 nan 8.300 nan 0.000 0.470 110 V N 4.818 123.906 119.914 -1.378 0.000 2.417 110 V HA 0.348 4.468 4.120 -0.000 0.000 0.291 110 V C -0.148 174.984 176.094 -1.604 0.000 1.024 110 V CA -0.725 60.783 62.300 -1.319 0.000 0.861 110 V CB 1.471 32.491 31.823 -1.339 0.000 0.985 110 V HN 0.877 nan 8.190 nan 0.000 0.436 111 T N 3.642 117.617 114.554 -0.964 0.000 2.897 111 T HA 0.144 4.494 4.350 -0.000 0.000 0.294 111 T C 1.116 175.595 174.700 -0.369 0.000 1.004 111 T CA -0.485 61.271 62.100 -0.574 0.000 1.106 111 T CB 1.157 69.895 68.868 -0.217 0.000 0.949 111 T HN 0.785 nan 8.240 nan 0.000 0.520 112 K N 0.992 121.229 120.400 -0.271 0.000 2.442 112 K HA -0.164 4.156 4.320 -0.000 0.000 0.199 112 K C 1.172 177.729 176.600 -0.072 0.000 1.044 112 K CA 1.567 57.782 56.287 -0.119 0.000 0.941 112 K CB -0.165 32.277 32.500 -0.097 0.000 0.759 112 K HN 0.589 nan 8.250 nan 0.000 0.472 113 H N -0.858 118.202 119.070 -0.017 0.000 2.551 113 H HA 0.215 4.771 4.556 -0.000 0.000 0.271 113 H C -0.137 175.167 175.328 -0.041 0.000 0.984 113 H CA 0.216 56.258 56.048 -0.009 0.000 1.164 113 H CB 0.527 30.290 29.762 0.002 0.000 1.437 113 H HN 0.062 nan 8.280 nan 0.000 0.550 114 L N 0.408 121.629 121.223 -0.003 0.000 3.218 114 L HA 0.311 4.651 4.340 -0.000 0.000 0.279 114 L C -0.150 176.676 176.870 -0.073 0.000 1.287 114 L CA 0.309 55.117 54.840 -0.053 0.000 1.024 114 L CB 0.117 42.103 42.059 -0.122 0.000 1.409 114 L HN 0.003 nan 8.230 nan 0.000 0.580 115 M N -0.175 119.412 119.600 -0.022 0.000 2.719 115 M HA 0.593 5.073 4.480 -0.000 0.000 0.291 115 M C -2.505 173.824 176.300 0.047 0.000 1.264 115 M CA -1.634 53.669 55.300 0.005 0.000 0.811 115 M CB 2.149 34.760 32.600 0.018 0.000 1.756 115 M HN -0.238 nan 8.290 nan 0.000 0.464 116 P HA 0.156 nan 4.420 nan 0.000 0.287 116 P C -0.775 176.573 177.300 0.079 0.000 1.294 116 P CA -0.030 63.105 63.100 0.058 0.000 0.776 116 P CB 0.921 32.650 31.700 0.048 0.000 0.889 117 Q N 2.559 122.404 119.800 0.074 0.000 2.084 117 Q HA -0.262 4.078 4.340 -0.000 0.000 0.215 117 Q C 1.264 177.315 176.000 0.085 0.000 1.020 117 Q CA 2.301 58.153 55.803 0.082 0.000 0.887 117 Q CB -0.842 27.933 28.738 0.061 0.000 0.975 117 Q HN 0.619 nan 8.270 nan 0.000 0.413 118 D N 0.472 120.912 120.400 0.066 0.000 2.408 118 D HA -0.112 4.528 4.640 -0.000 0.000 0.248 118 D C -0.019 176.327 176.300 0.078 0.000 1.122 118 D CA 0.391 54.427 54.000 0.059 0.000 0.964 118 D CB -0.123 40.702 40.800 0.041 0.000 0.884 118 D HN 0.115 nan 8.370 nan 0.000 0.524 119 L N 1.488 122.781 121.223 0.116 0.000 2.401 119 L HA 0.276 4.616 4.340 -0.000 0.000 0.263 119 L C -0.417 176.591 176.870 0.230 0.000 1.004 119 L CA -0.431 54.513 54.840 0.173 0.000 0.881 119 L CB 1.366 43.547 42.059 0.204 0.000 1.219 119 L HN -0.045 nan 8.230 nan 0.000 0.441 120 T N 0.577 115.207 114.554 0.127 0.000 2.928 120 T HA 0.436 4.786 4.350 -0.000 0.000 0.284 120 T C 0.008 174.598 174.700 -0.182 0.000 1.008 120 T CA -0.573 61.557 62.100 0.049 0.000 1.057 120 T CB 0.959 69.834 68.868 0.012 0.000 1.018 120 T HN 0.339 nan 8.240 nan 0.000 0.493 121 F N 3.300 122.918 119.950 -0.552 0.000 2.541 121 F HA 0.252 4.779 4.527 -0.000 0.000 0.378 121 F C 0.591 176.102 175.800 -0.482 0.000 1.068 121 F CA -1.142 56.255 58.000 -1.006 0.000 1.199 121 F CB 0.038 38.635 39.000 -0.672 0.000 1.091 121 F HN 0.657 nan 8.300 nan 0.000 0.555 122 N N 4.980 123.102 118.700 -0.963 0.000 2.497 122 N HA 0.197 4.937 4.740 -0.000 0.000 0.268 122 N C 0.245 175.147 175.510 -1.013 0.000 1.171 122 N CA 0.491 53.104 53.050 -0.728 0.000 0.948 122 N CB 1.425 39.664 38.487 -0.413 0.000 1.069 122 N HN 0.865 nan 8.380 nan 0.000 0.460 123 A N 3.697 126.167 122.820 -0.583 0.000 3.289 123 A HA 0.216 4.536 4.320 -0.000 0.000 0.157 123 A C 0.976 178.378 177.584 -0.304 0.000 1.293 123 A CA 0.839 52.622 52.037 -0.423 0.000 0.896 123 A CB -1.298 17.573 19.000 -0.215 0.000 0.998 123 A HN 0.652 nan 8.150 nan 0.000 0.519 124 G N 0.554 109.252 108.800 -0.171 0.000 2.821 124 G HA2 0.439 4.399 3.960 -0.000 0.000 0.289 124 G HA3 0.439 4.399 3.960 -0.000 0.000 0.289 124 G C 0.062 174.900 174.900 -0.104 0.000 0.771 124 G CA 0.692 45.726 45.100 -0.110 0.000 1.908 124 G HN 1.113 nan 8.290 nan 0.000 0.539 125 S N 1.178 116.810 115.700 -0.113 0.000 2.548 125 S HA 0.538 5.008 4.470 -0.000 0.000 0.286 125 S C -0.771 173.801 174.600 -0.046 0.000 1.098 125 S CA -1.125 57.025 58.200 -0.083 0.000 0.930 125 S CB 2.169 65.304 63.200 -0.108 0.000 1.070 125 S HN 0.407 nan 8.310 nan 0.000 0.480 126 N N 2.501 121.185 118.700 -0.026 0.000 2.448 126 N HA 0.481 5.221 4.740 -0.000 0.000 0.279 126 N C -2.682 172.828 175.510 -0.001 0.000 1.025 126 N CA -1.179 51.867 53.050 -0.006 0.000 0.898 126 N CB 1.539 40.024 38.487 -0.004 0.000 1.303 126 N HN 0.618 nan 8.380 nan 0.000 0.495 127 P HA 0.342 nan 4.420 nan 0.000 0.285 127 P C -2.818 174.503 177.300 0.035 0.000 1.259 127 P CA -1.310 61.806 63.100 0.027 0.000 0.794 127 P CB 0.420 32.141 31.700 0.036 0.000 0.940 128 P HA -0.112 nan 4.420 nan 0.000 0.258 128 P C 0.145 177.512 177.300 0.110 0.000 1.136 128 P CA 1.153 64.285 63.100 0.053 0.000 0.761 128 P CB 0.055 31.845 31.700 0.150 0.000 0.724 129 S N 2.817 118.539 115.700 0.037 0.000 2.851 129 S HA 0.691 5.161 4.470 -0.000 0.000 0.317 129 S C -1.457 173.231 174.600 0.146 0.000 1.144 129 S CA -0.633 57.650 58.200 0.138 0.000 0.862 129 S CB 1.112 64.347 63.200 0.058 0.000 1.259 129 S HN 0.205 nan 8.310 nan 0.000 0.564 130 Y N 0.576 120.899 120.300 0.039 0.000 2.391 130 Y HA 0.506 5.056 4.550 -0.000 0.000 0.341 130 Y C -0.038 175.874 175.900 0.021 0.000 0.965 130 Y CA -0.543 57.598 58.100 0.068 0.000 1.067 130 Y CB 2.134 40.676 38.460 0.137 0.000 1.199 130 Y HN 0.609 nan 8.280 nan 0.000 0.450 131 Q N 1.879 121.734 119.800 0.091 0.000 2.282 131 Q HA 0.541 4.881 4.340 -0.000 0.000 0.260 131 Q C -0.692 175.353 176.000 0.075 0.000 0.964 131 Q CA -0.643 55.194 55.803 0.055 0.000 0.880 131 Q CB 2.716 31.451 28.738 -0.005 0.000 1.286 131 Q HN 0.679 nan 8.270 nan 0.000 0.445 132 S N 0.262 115.998 115.700 0.061 0.000 2.726 132 S HA 0.272 4.742 4.470 -0.000 0.000 0.308 132 S C 0.800 175.418 174.600 0.030 0.000 1.115 132 S CA -0.491 57.742 58.200 0.055 0.000 0.965 132 S CB 1.448 64.680 63.200 0.053 0.000 1.145 132 S HN 0.593 nan 8.310 nan 0.000 0.532 133 S N 1.063 116.777 115.700 0.025 0.000 2.493 133 S HA -0.080 4.390 4.470 -0.000 0.000 0.243 133 S C 1.148 175.753 174.600 0.009 0.000 0.991 133 S CA 1.601 59.810 58.200 0.014 0.000 0.957 133 S CB -0.429 62.778 63.200 0.012 0.000 0.756 133 S HN 0.795 nan 8.310 nan 0.000 0.521 134 E N -1.112 119.095 120.200 0.011 0.000 2.652 134 E HA 0.156 4.506 4.350 -0.000 0.000 0.197 134 E C -0.706 175.898 176.600 0.008 0.000 0.936 134 E CA -0.300 56.103 56.400 0.006 0.000 1.638 134 E CB 0.063 29.765 29.700 0.002 0.000 1.884 134 E HN 0.155 nan 8.360 nan 0.000 1.005 135 D N 1.425 121.834 120.400 0.015 0.000 2.312 135 D HA 0.434 5.074 4.640 -0.000 0.000 0.248 135 D C -0.629 175.685 176.300 0.025 0.000 1.086 135 D CA -0.193 53.816 54.000 0.015 0.000 0.948 135 D CB 2.622 43.433 40.800 0.018 0.000 1.162 135 D HN -0.097 nan 8.370 nan 0.000 0.446 136 V N 2.351 122.275 119.914 0.016 0.000 2.610 136 V HA 0.339 4.459 4.120 -0.000 0.000 0.298 136 V C -0.215 175.883 176.094 0.007 0.000 1.067 136 V CA -0.661 61.654 62.300 0.024 0.000 0.894 136 V CB 1.710 33.538 31.823 0.009 0.000 1.015 136 V HN 0.353 nan 8.190 nan 0.000 0.432 137 I N 3.615 124.199 120.570 0.024 0.000 2.441 137 I HA 0.788 4.958 4.170 -0.000 0.000 0.295 137 I C 0.234 176.341 176.117 -0.016 0.000 0.994 137 I CA -0.068 61.199 61.300 -0.056 0.000 1.144 137 I CB 2.343 40.227 38.000 -0.193 0.000 1.314 137 I HN 0.597 nan 8.210 nan 0.000 0.445 138 T N 3.987 118.506 114.554 -0.059 0.000 2.647 138 T HA 0.471 4.821 4.350 -0.000 0.000 0.295 138 T C 1.215 175.890 174.700 -0.041 0.000 1.126 138 T CA -0.602 61.492 62.100 -0.010 0.000 1.040 138 T CB 1.379 70.251 68.868 0.008 0.000 1.472 138 T HN 0.363 nan 8.240 nan 0.000 0.500 139 I N 1.192 121.764 120.570 0.004 0.000 2.110 139 I HA -0.310 3.860 4.170 -0.000 0.000 0.226 139 I C 2.576 178.682 176.117 -0.019 0.000 1.001 139 I CA 1.420 62.724 61.300 0.008 0.000 1.309 139 I CB -0.472 37.544 38.000 0.026 0.000 1.022 139 I HN 0.560 nan 8.210 nan 0.000 0.384 140 K N 1.173 121.566 120.400 -0.011 0.000 2.066 140 K HA -0.201 4.119 4.320 -0.000 0.000 0.221 140 K C 1.151 177.730 176.600 -0.034 0.000 1.056 140 K CA 1.694 57.971 56.287 -0.016 0.000 0.950 140 K CB -1.424 31.070 32.500 -0.011 0.000 0.726 140 K HN 0.676 nan 8.250 nan 0.000 0.456 141 S N 2.087 117.756 115.700 -0.052 0.000 2.599 141 S HA -0.064 4.406 4.470 -0.000 0.000 0.303 141 S C 0.145 174.698 174.600 -0.078 0.000 1.267 141 S CA -0.063 58.096 58.200 -0.068 0.000 1.055 141 S CB 0.160 63.306 63.200 -0.090 0.000 0.790 141 S HN 0.146 nan 8.310 nan 0.000 0.500 142 R N 1.973 122.441 120.500 -0.054 0.000 2.308 142 R HA 0.570 4.910 4.340 -0.000 0.000 0.305 142 R C -0.366 175.908 176.300 -0.042 0.000 1.053 142 R CA -0.243 55.834 56.100 -0.038 0.000 0.957 142 R CB 0.535 30.824 30.300 -0.018 0.000 1.022 142 R HN 0.637 nan 8.270 nan 0.000 0.461 143 I N 2.193 122.746 120.570 -0.028 0.000 2.608 143 I HA 0.342 4.512 4.170 -0.000 0.000 0.295 143 I C -0.081 176.064 176.117 0.048 0.000 1.049 143 I CA -0.989 60.309 61.300 -0.002 0.000 1.063 143 I CB 2.358 40.346 38.000 -0.020 0.000 1.248 143 I HN 0.454 nan 8.210 nan 0.000 0.424 144 R N 6.003 126.538 120.500 0.058 0.000 2.239 144 R HA 0.672 5.012 4.340 -0.000 0.000 0.332 144 R C -1.805 174.546 176.300 0.084 0.000 0.988 144 R CA -0.298 55.844 56.100 0.070 0.000 0.859 144 R CB 0.994 31.332 30.300 0.063 0.000 1.148 144 R HN 0.464 nan 8.270 nan 0.000 0.482 145 V N 3.324 123.293 119.914 0.092 0.000 3.096 145 V HA 0.440 4.560 4.120 -0.000 0.000 0.319 145 V C -0.408 175.728 176.094 0.069 0.000 1.103 145 V CA -0.979 61.370 62.300 0.082 0.000 1.016 145 V CB 2.052 33.927 31.823 0.086 0.000 1.090 145 V HN 0.670 nan 8.190 nan 0.000 0.449 146 K N 1.762 122.193 120.400 0.051 0.000 2.307 146 K HA 0.557 4.877 4.320 -0.000 0.000 0.263 146 K C -0.992 175.630 176.600 0.036 0.000 0.973 146 K CA -0.575 55.740 56.287 0.047 0.000 0.846 146 K CB 1.060 33.584 32.500 0.040 0.000 1.100 146 K HN 0.615 nan 8.250 nan 0.000 0.438 147 I N 5.577 126.177 120.570 0.049 0.000 2.311 147 I HA -0.020 4.150 4.170 -0.000 0.000 0.297 147 I C 1.288 177.425 176.117 0.034 0.000 1.131 147 I CA -0.361 60.964 61.300 0.042 0.000 1.289 147 I CB 0.541 38.573 38.000 0.054 0.000 1.446 147 I HN 0.683 nan 8.210 nan 0.000 0.524 148 E N 4.570 124.781 120.200 0.018 0.000 2.007 148 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 148 E C 1.062 177.674 176.600 0.019 0.000 0.999 148 E CA 0.872 57.281 56.400 0.015 0.000 0.811 148 E CB 0.020 29.721 29.700 0.002 0.000 0.762 148 E HN 0.734 nan 8.360 nan 0.000 0.450 149 G N -0.991 107.819 108.800 0.017 0.000 2.533 149 G HA2 0.465 4.425 3.960 -0.000 0.000 0.304 149 G HA3 0.465 4.425 3.960 -0.000 0.000 0.304 149 G C -1.238 173.671 174.900 0.015 0.000 1.263 149 G CA -0.421 44.688 45.100 0.015 0.000 0.964 149 G HN 0.201 nan 8.290 nan 0.000 0.479 150 C N 0.473 119.773 119.300 0.000 0.000 2.396 150 C HA 0.601 5.061 4.460 -0.000 0.000 0.321 150 C C -0.542 174.443 174.990 -0.008 0.000 1.233 150 C CA -0.509 58.503 59.018 -0.010 0.000 1.440 150 C CB 0.221 27.926 27.740 -0.059 0.000 2.110 150 C HN 0.562 nan 8.230 nan 0.000 0.473 151 I N 2.924 123.505 120.570 0.018 0.000 2.362 151 I HA 0.312 4.482 4.170 -0.000 0.000 0.289 151 I C 0.396 176.525 176.117 0.020 0.000 0.994 151 I CA 0.391 61.704 61.300 0.021 0.000 1.158 151 I CB 1.364 39.391 38.000 0.045 0.000 1.315 151 I HN 0.524 nan 8.210 nan 0.000 0.451 152 S N 5.806 121.501 115.700 -0.008 0.000 2.523 152 S HA 0.480 4.950 4.470 -0.000 0.000 0.275 152 S C -0.188 174.413 174.600 0.001 0.000 1.281 152 S CA -0.536 57.653 58.200 -0.018 0.000 1.050 152 S CB 1.172 64.345 63.200 -0.045 0.000 0.937 152 S HN 0.668 nan 8.310 nan 0.000 0.492 153 Q N 1.939 121.743 119.800 0.006 0.000 3.156 153 Q HA 0.529 4.869 4.340 -0.000 0.000 0.301 153 Q C 0.926 176.921 176.000 -0.008 0.000 1.026 153 Q CA -0.828 54.986 55.803 0.019 0.000 0.827 153 Q CB 0.536 29.319 28.738 0.076 0.000 1.490 153 Q HN 0.370 nan 8.270 nan 0.000 0.492 154 V N 0.552 120.468 119.914 0.004 0.000 2.315 154 V HA -0.317 3.803 4.120 -0.000 0.000 0.225 154 V C 1.139 177.205 176.094 -0.046 0.000 0.952 154 V CA 2.429 64.722 62.300 -0.012 0.000 1.020 154 V CB -1.113 30.713 31.823 0.005 0.000 0.677 154 V HN 0.911 nan 8.190 nan 0.000 0.511 155 S N -0.433 115.231 115.700 -0.059 0.000 2.624 155 S HA 0.517 4.987 4.470 -0.000 0.000 0.246 155 S C -0.052 174.433 174.600 -0.193 0.000 1.072 155 S CA 0.175 58.300 58.200 -0.125 0.000 1.045 155 S CB 0.094 63.239 63.200 -0.090 0.000 0.851 155 S HN 1.114 nan 8.310 nan 0.000 0.480 156 S N 0.517 116.133 115.700 -0.142 0.000 2.562 156 S HA 0.634 5.104 4.470 -0.000 0.000 0.274 156 S C -1.047 173.509 174.600 -0.073 0.000 1.160 156 S CA -0.891 57.246 58.200 -0.104 0.000 0.933 156 S CB 0.643 63.816 63.200 -0.046 0.000 1.100 156 S HN 0.339 nan 8.310 nan 0.000 0.468 157 I N 4.622 125.235 120.570 0.071 0.000 2.330 157 I HA 0.386 4.556 4.170 -0.000 0.000 0.286 157 I C 0.064 176.122 176.117 -0.099 0.000 1.025 157 I CA -0.484 60.833 61.300 0.028 0.000 1.197 157 I CB 0.646 38.712 38.000 0.110 0.000 1.358 157 I HN 0.661 nan 8.210 nan 0.000 0.467 158 H N 4.378 123.500 119.070 0.087 0.000 2.570 158 H HA 0.863 5.419 4.556 -0.000 0.000 0.342 158 H C -0.227 175.127 175.328 0.042 0.000 1.245 158 H CA -0.601 55.489 56.048 0.070 0.000 1.318 158 H CB 2.195 31.994 29.762 0.063 0.000 1.694 158 H HN 0.664 nan 8.280 nan 0.000 0.592 159 A N 0.358 123.297 122.820 0.198 0.000 2.524 159 A HA 0.665 4.985 4.320 -0.000 0.000 0.303 159 A C -1.302 176.350 177.584 0.113 0.000 1.195 159 A CA -0.490 51.613 52.037 0.110 0.000 0.651 159 A CB 1.208 20.244 19.000 0.059 0.000 1.323 159 A HN 0.505 nan 8.150 nan 0.000 0.479 160 I N -1.247 119.364 120.570 0.069 0.000 3.174 160 I HA 0.791 4.961 4.170 -0.000 0.000 0.313 160 I C 0.385 176.500 176.117 -0.003 0.000 1.155 160 I CA -0.612 60.713 61.300 0.041 0.000 0.977 160 I CB 2.675 40.700 38.000 0.043 0.000 1.248 160 I HN 1.174 nan 8.210 nan 0.000 0.453 161 G N 0.870 109.630 108.800 -0.068 0.000 2.451 161 G HA2 0.565 4.525 3.960 -0.000 0.000 0.292 161 G HA3 0.565 4.525 3.960 -0.000 0.000 0.292 161 G C -1.721 173.105 174.900 -0.123 0.000 1.427 161 G CA -0.238 44.823 45.100 -0.064 0.000 0.792 161 G HN 0.791 nan 8.290 nan 0.000 0.498 162 S N -1.539 114.117 115.700 -0.074 0.000 2.627 162 S HA 0.750 5.220 4.470 -0.000 0.000 0.283 162 S C 0.035 174.619 174.600 -0.027 0.000 1.127 162 S CA -0.530 57.621 58.200 -0.082 0.000 0.863 162 S CB 1.716 64.883 63.200 -0.055 0.000 1.121 162 S HN 1.446 nan 8.310 nan 0.000 0.479 163 I N -1.623 118.937 120.570 -0.016 0.000 3.326 163 I HA 0.477 4.647 4.170 -0.000 0.000 0.336 163 I C 0.729 176.862 176.117 0.027 0.000 1.543 163 I CA -0.527 60.791 61.300 0.029 0.000 1.013 163 I CB 0.139 38.178 38.000 0.065 0.000 1.468 163 I HN 0.598 nan 8.210 nan 0.000 0.515 164 K N 1.103 121.513 120.400 0.016 0.000 2.323 164 K HA 0.110 4.430 4.320 -0.000 0.000 0.197 164 K C 1.040 177.657 176.600 0.027 0.000 1.043 164 K CA 0.286 56.585 56.287 0.020 0.000 0.997 164 K CB 0.545 33.053 32.500 0.014 0.000 0.807 164 K HN 0.395 nan 8.250 nan 0.000 0.497 165 E N 1.106 121.328 120.200 0.037 0.000 4.471 165 E HA 0.002 4.352 4.350 -0.000 0.000 0.438 165 E C 0.005 176.640 176.600 0.059 0.000 1.497 165 E CA 0.328 56.761 56.400 0.054 0.000 2.657 165 E CB 0.138 29.880 29.700 0.071 0.000 1.488 165 E HN 0.137 nan 8.360 nan 0.000 0.743 166 D N -1.156 119.310 120.400 0.108 0.000 2.569 166 D HA 0.169 4.809 4.640 -0.000 0.000 0.266 166 D C -0.032 176.386 176.300 0.196 0.000 1.164 166 D CA -0.614 53.425 54.000 0.067 0.000 1.071 166 D CB 0.378 41.204 40.800 0.043 0.000 1.183 166 D HN 0.358 nan 8.370 nan 0.000 0.613 167 Y N -1.292 119.017 120.300 0.014 0.000 4.317 167 Y HA -0.265 4.285 4.550 -0.000 0.000 0.212 167 Y C 0.175 176.085 175.900 0.017 0.000 1.080 167 Y CA 0.337 58.445 58.100 0.014 0.000 1.735 167 Y CB -1.866 36.601 38.460 0.012 0.000 1.567 167 Y HN 0.148 nan 8.280 nan 0.000 0.619 168 L N -1.058 120.239 121.223 0.123 0.000 2.319 168 L HA 0.877 5.217 4.340 -0.000 0.000 0.267 168 L C 0.970 177.877 176.870 0.062 0.000 1.011 168 L CA -0.262 54.633 54.840 0.093 0.000 0.818 168 L CB 1.996 44.106 42.059 0.085 0.000 1.316 168 L HN 0.262 nan 8.230 nan 0.000 0.432 169 G N 0.439 109.277 108.800 0.063 0.000 2.341 169 G HA2 0.106 4.066 3.960 -0.000 0.000 0.196 169 G HA3 0.106 4.066 3.960 -0.000 0.000 0.196 169 G C -0.629 174.282 174.900 0.019 0.000 1.231 169 G CA -0.257 44.870 45.100 0.045 0.000 1.155 169 G HN 0.934 nan 8.290 nan 0.000 0.529 170 A N -0.413 122.405 122.820 -0.003 0.000 2.346 170 A HA 0.756 5.076 4.320 -0.000 0.000 0.255 170 A C 0.714 178.298 177.584 0.000 0.000 1.113 170 A CA 1.041 53.068 52.037 -0.017 0.000 0.798 170 A CB -0.267 18.718 19.000 -0.025 0.000 1.073 170 A HN 1.717 nan 8.150 nan 0.000 0.502 171 I N 0.000 120.568 120.570 -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 61.303 61.300 0.006 0.000 1.566 171 I CB 0.000 38.008 38.000 0.012 0.000 1.214 171 I HN 0.000 nan 8.210 nan 0.000 0.494