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 2ja6_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 0.000 176.531 176.300 0.385 0.000 1.140 1 M CA 0.000 55.388 55.300 0.146 0.000 0.988 1 M CB 0.000 32.806 32.600 0.344 0.000 1.302 2 F N 1.792 121.744 119.950 0.004 0.000 2.412 2 F HA 0.599 5.126 4.527 -0.000 0.000 0.348 2 F C 0.050 175.849 175.800 -0.002 0.000 1.102 2 F CA 0.057 58.174 58.000 0.196 0.000 1.196 2 F CB 0.448 39.485 39.000 0.062 0.000 1.144 2 F HN -0.072 nan 8.300 nan 0.000 0.541 3 F N 2.521 122.630 119.950 0.264 0.000 2.661 3 F HA 0.624 5.151 4.527 -0.000 0.000 0.347 3 F C -0.152 175.728 175.800 0.133 0.000 1.086 3 F CA -1.069 57.038 58.000 0.177 0.000 1.016 3 F CB 1.216 40.303 39.000 0.146 0.000 1.368 3 F HN 0.052 nan 8.300 nan 0.000 0.505 4 I N 1.908 122.663 120.570 0.309 0.000 2.714 4 I HA 0.201 4.371 4.170 -0.000 0.000 0.276 4 I C -0.818 175.379 176.117 0.133 0.000 1.196 4 I CA -0.542 60.858 61.300 0.166 0.000 1.068 4 I CB 0.961 39.027 38.000 0.111 0.000 1.291 4 I HN 0.318 nan 8.210 nan 0.000 0.530 5 K N 3.049 123.517 120.400 0.113 0.000 2.118 5 K HA 0.294 4.614 4.320 -0.000 0.000 0.264 5 K C -0.464 176.121 176.600 -0.025 0.000 1.000 5 K CA -0.218 56.115 56.287 0.076 0.000 0.929 5 K CB 0.811 33.382 32.500 0.119 0.000 1.021 5 K HN 0.194 nan 8.250 nan 0.000 0.463 6 D N 4.351 124.746 120.400 -0.008 0.000 2.396 6 D HA 0.218 4.858 4.640 -0.000 0.000 0.225 6 D C -0.253 176.016 176.300 -0.051 0.000 1.121 6 D CA -0.080 53.888 54.000 -0.053 0.000 0.853 6 D CB 0.488 41.290 40.800 0.003 0.000 1.043 6 D HN 0.338 nan 8.370 nan 0.000 0.500 7 L N 0.753 121.873 121.223 -0.172 0.000 2.271 7 L HA 0.627 4.967 4.340 -0.000 0.000 0.265 7 L C 0.455 177.482 176.870 0.262 0.000 1.013 7 L CA -0.891 53.929 54.840 -0.033 0.000 0.820 7 L CB 1.640 43.616 42.059 -0.138 0.000 1.352 7 L HN 0.268 nan 8.230 nan 0.000 0.443 8 S N 0.534 116.382 115.700 0.246 0.000 2.556 8 S HA 0.829 5.299 4.470 -0.000 0.000 0.271 8 S C -1.330 173.278 174.600 0.012 0.000 1.135 8 S CA -0.736 57.556 58.200 0.153 0.000 0.858 8 S CB 2.349 65.598 63.200 0.081 0.000 1.114 8 S HN 0.561 nan 8.310 nan 0.000 0.468 9 L N 1.102 122.271 121.223 -0.090 0.000 2.466 9 L HA 0.731 5.071 4.340 -0.000 0.000 0.258 9 L C -1.964 174.865 176.870 -0.068 0.000 0.973 9 L CA -0.451 54.320 54.840 -0.115 0.000 0.826 9 L CB 2.226 44.150 42.059 -0.226 0.000 1.372 9 L HN 0.810 nan 8.230 nan 0.000 0.409 10 N N 4.128 122.808 118.700 -0.034 0.000 2.424 10 N HA 0.622 5.362 4.740 -0.000 0.000 0.271 10 N C -1.197 174.325 175.510 0.020 0.000 0.985 10 N CA -0.101 52.953 53.050 0.006 0.000 0.921 10 N CB 1.537 40.028 38.487 0.007 0.000 1.149 10 N HN 0.585 nan 8.380 nan 0.000 0.492 11 I N 0.238 120.849 120.570 0.068 0.000 2.493 11 I HA 0.345 4.515 4.170 -0.000 0.000 0.298 11 I C 0.241 176.443 176.117 0.142 0.000 0.998 11 I CA -0.733 60.620 61.300 0.088 0.000 1.137 11 I CB 1.910 39.964 38.000 0.090 0.000 1.310 11 I HN 0.107 nan 8.210 nan 0.000 0.445 12 T N 6.666 121.284 114.554 0.107 0.000 2.753 12 T HA 0.398 4.748 4.350 -0.000 0.000 0.297 12 T C -0.308 174.470 174.700 0.130 0.000 0.981 12 T CA -0.292 61.869 62.100 0.102 0.000 0.956 12 T CB 0.454 69.355 68.868 0.055 0.000 0.936 12 T HN 0.332 nan 8.240 nan 0.000 0.463 13 L N 4.196 125.533 121.223 0.189 0.000 2.289 13 L HA 0.444 4.784 4.340 -0.000 0.000 0.285 13 L C 0.108 177.077 176.870 0.166 0.000 1.049 13 L CA -0.884 54.053 54.840 0.162 0.000 0.804 13 L CB 0.838 43.030 42.059 0.221 0.000 1.195 13 L HN 0.684 nan 8.230 nan 0.000 0.428 14 H N 6.423 125.406 119.070 -0.145 0.000 2.683 14 H HA 0.232 4.788 4.556 -0.000 0.000 0.339 14 H C -2.014 173.312 175.328 -0.003 0.000 1.081 14 H CA -1.577 54.371 56.048 -0.166 0.000 1.432 14 H CB 1.342 30.861 29.762 -0.404 0.000 1.462 14 H HN 0.364 nan 8.280 nan 0.000 0.557 15 P HA -0.296 nan 4.420 nan 0.000 0.218 15 P C 1.700 178.782 177.300 -0.363 0.000 1.150 15 P CA 1.974 64.680 63.100 -0.657 0.000 0.841 15 P CB 0.122 31.311 31.700 -0.853 0.000 0.784 16 S N -0.905 114.299 115.700 -0.826 0.000 2.422 16 S HA -0.230 4.240 4.470 -0.000 0.000 0.248 16 S C 1.171 175.852 174.600 0.135 0.000 1.069 16 S CA 1.550 59.585 58.200 -0.275 0.000 1.214 16 S CB -1.205 61.882 63.200 -0.189 0.000 1.122 16 S HN 0.182 nan 8.310 nan 0.000 0.432 17 F N 0.283 120.231 119.950 -0.004 0.000 2.726 17 F HA 0.194 4.721 4.527 -0.000 0.000 0.296 17 F C 0.326 176.160 175.800 0.057 0.000 1.250 17 F CA -0.641 57.337 58.000 -0.036 0.000 1.434 17 F CB -0.444 38.398 39.000 -0.265 0.000 1.043 17 F HN 0.118 nan 8.300 nan 0.000 0.508 18 F N 1.310 121.291 119.950 0.052 0.000 2.697 18 F HA 0.214 4.741 4.527 -0.000 0.000 0.297 18 F C 1.803 177.633 175.800 0.049 0.000 1.203 18 F CA -0.839 57.188 58.000 0.045 0.000 1.421 18 F CB -0.991 38.010 39.000 0.001 0.000 1.033 18 F HN 0.003 nan 8.300 nan 0.000 0.512 19 G N 1.624 110.531 108.800 0.178 0.000 2.313 19 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.283 19 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.283 19 G C -0.845 174.099 174.900 0.072 0.000 1.476 19 G CA 0.095 45.262 45.100 0.112 0.000 1.054 19 G HN 0.209 nan 8.290 nan 0.000 0.550 20 P HA 0.164 nan 4.420 nan 0.000 0.218 20 P C 0.603 177.914 177.300 0.017 0.000 1.147 20 P CA 0.291 63.410 63.100 0.032 0.000 0.863 20 P CB 0.700 32.418 31.700 0.029 0.000 0.812 21 R N 0.543 121.054 120.500 0.019 0.000 2.471 21 R HA 0.349 4.689 4.340 -0.000 0.000 0.292 21 R C 0.765 177.076 176.300 0.019 0.000 1.192 21 R CA -0.230 55.877 56.100 0.012 0.000 1.257 21 R CB 0.138 30.447 30.300 0.014 0.000 1.130 21 R HN 0.279 nan 8.270 nan 0.000 0.558 22 M N 1.299 120.892 119.600 -0.011 0.000 2.718 22 M HA 0.013 4.492 4.480 -0.000 0.000 0.259 22 M C 1.750 178.004 176.300 -0.076 0.000 1.240 22 M CA 1.054 56.334 55.300 -0.034 0.000 1.210 22 M CB 0.147 32.677 32.600 -0.116 0.000 1.281 22 M HN 0.305 nan 8.290 nan 0.000 0.515 23 K N 0.507 120.842 120.400 -0.109 0.000 2.052 23 K HA -0.337 3.983 4.320 -0.000 0.000 0.215 23 K C 1.952 178.498 176.600 -0.090 0.000 1.053 23 K CA 2.608 58.816 56.287 -0.133 0.000 0.934 23 K CB -0.236 32.213 32.500 -0.085 0.000 0.717 23 K HN 0.369 nan 8.250 nan 0.000 0.450 24 Q N -0.124 119.658 119.800 -0.030 0.000 1.956 24 Q HA -0.265 4.075 4.340 -0.000 0.000 0.208 24 Q C 1.950 177.931 176.000 -0.031 0.000 0.998 24 Q CA 2.410 58.211 55.803 -0.003 0.000 0.855 24 Q CB -0.845 27.902 28.738 0.015 0.000 0.928 24 Q HN 0.483 nan 8.270 nan 0.000 0.418 25 Y N 0.270 120.523 120.300 -0.078 0.000 2.096 25 Y HA -0.338 4.212 4.550 -0.000 0.000 0.278 25 Y C 1.882 177.737 175.900 -0.075 0.000 1.192 25 Y CA 2.132 60.184 58.100 -0.080 0.000 1.143 25 Y CB -0.306 38.105 38.460 -0.081 0.000 0.963 25 Y HN 0.217 nan 8.280 nan 0.000 0.505 26 L N -0.004 121.252 121.223 0.054 0.000 1.941 26 L HA -0.372 3.968 4.340 -0.000 0.000 0.224 26 L C 2.494 179.265 176.870 -0.165 0.000 1.081 26 L CA 2.279 57.081 54.840 -0.063 0.000 0.784 26 L CB -0.832 41.075 42.059 -0.252 0.000 0.894 26 L HN 0.248 nan 8.230 nan 0.000 0.436 27 K N -0.664 119.615 120.400 -0.202 0.000 2.030 27 K HA -0.273 4.047 4.320 -0.000 0.000 0.222 27 K C 1.891 178.367 176.600 -0.208 0.000 1.056 27 K CA 2.553 58.686 56.287 -0.256 0.000 0.957 27 K CB -0.763 31.545 32.500 -0.320 0.000 0.727 27 K HN 0.352 nan 8.250 nan 0.000 0.452 28 T N 1.007 115.450 114.554 -0.185 0.000 2.594 28 T HA -0.279 4.071 4.350 -0.000 0.000 0.266 28 T C 1.873 176.420 174.700 -0.256 0.000 1.070 28 T CA 2.223 64.191 62.100 -0.220 0.000 1.166 28 T CB -0.262 68.365 68.868 -0.401 0.000 0.862 28 T HN 0.308 nan 8.240 nan 0.000 0.436 29 K N 0.268 120.463 120.400 -0.342 0.000 2.097 29 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 29 K C 2.205 178.733 176.600 -0.120 0.000 1.050 29 K CA 0.789 56.964 56.287 -0.187 0.000 0.938 29 K CB -0.371 32.115 32.500 -0.023 0.000 0.718 29 K HN 0.193 nan 8.250 nan 0.000 0.442 30 L N 1.478 122.609 121.223 -0.154 0.000 1.978 30 L HA -0.259 4.081 4.340 -0.000 0.000 0.218 30 L C 1.805 178.583 176.870 -0.153 0.000 1.075 30 L CA 1.870 56.593 54.840 -0.195 0.000 0.767 30 L CB -0.561 41.337 42.059 -0.270 0.000 0.890 30 L HN 0.230 nan 8.230 nan 0.000 0.434 31 L N -0.797 120.357 121.223 -0.115 0.000 2.043 31 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 31 L C 2.555 179.402 176.870 -0.038 0.000 1.075 31 L CA 1.905 56.717 54.840 -0.048 0.000 0.752 31 L CB -1.048 41.008 42.059 -0.005 0.000 0.891 31 L HN 0.418 nan 8.230 nan 0.000 0.432 32 E N 0.389 120.556 120.200 -0.055 0.000 2.085 32 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 32 E C 1.398 177.982 176.600 -0.027 0.000 0.994 32 E CA 1.354 57.733 56.400 -0.036 0.000 0.801 32 E CB -0.080 29.598 29.700 -0.037 0.000 0.743 32 E HN 0.527 nan 8.360 nan 0.000 0.453 33 E N -0.183 119.993 120.200 -0.040 0.000 2.394 33 E HA 0.052 4.402 4.350 -0.000 0.000 0.191 33 E C 0.330 176.902 176.600 -0.046 0.000 1.044 33 E CA -0.309 56.069 56.400 -0.038 0.000 0.939 33 E CB 0.760 30.438 29.700 -0.037 0.000 1.089 33 E HN 0.005 nan 8.360 nan 0.000 0.456 34 V N -0.537 119.359 119.914 -0.031 0.000 4.454 34 V HA -0.038 4.082 4.120 -0.000 0.000 0.159 34 V C -0.046 176.065 176.094 0.028 0.000 1.262 34 V CA -0.388 61.913 62.300 0.002 0.000 1.223 34 V CB 0.190 32.028 31.823 0.026 0.000 1.452 34 V HN 0.100 nan 8.190 nan 0.000 0.595 35 E N 1.974 122.203 120.200 0.048 0.000 2.877 35 E HA 0.229 4.579 4.350 -0.000 0.000 0.230 35 E C 0.964 177.581 176.600 0.029 0.000 1.126 35 E CA 1.030 57.463 56.400 0.055 0.000 0.946 35 E CB -0.492 29.244 29.700 0.060 0.000 0.965 35 E HN 0.822 nan 8.360 nan 0.000 0.529 36 G N 2.595 111.407 108.800 0.019 0.000 2.296 36 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.188 36 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.188 36 G C 0.492 175.344 174.900 -0.079 0.000 1.000 36 G CA 0.017 45.107 45.100 -0.016 0.000 0.672 36 G HN 0.638 nan 8.290 nan 0.000 0.483 37 S N -1.061 114.602 115.700 -0.061 0.000 2.612 37 S HA 0.555 5.025 4.470 -0.000 0.000 0.253 37 S C 0.261 174.758 174.600 -0.172 0.000 1.346 37 S CA 0.420 58.567 58.200 -0.088 0.000 0.976 37 S CB 1.745 64.919 63.200 -0.043 0.000 0.949 37 S HN 1.653 nan 8.310 nan 0.000 0.584 38 C N 0.851 120.058 119.300 -0.155 0.000 3.046 38 C HA 0.722 5.182 4.460 -0.000 0.000 0.388 38 C C -0.511 174.435 174.990 -0.072 0.000 1.041 38 C CA -0.086 58.807 59.018 -0.207 0.000 1.241 38 C CB 0.668 28.156 27.740 -0.420 0.000 1.638 38 C HN 1.145 nan 8.230 nan 0.000 0.539 39 T N 2.630 117.183 114.554 -0.001 0.000 2.812 39 T HA 0.518 4.868 4.350 -0.000 0.000 0.294 39 T C 0.894 175.590 174.700 -0.006 0.000 1.159 39 T CA 0.139 62.268 62.100 0.049 0.000 1.008 39 T CB 1.585 70.583 68.868 0.217 0.000 1.289 39 T HN 0.861 nan 8.240 nan 0.000 0.514 40 G N -0.117 108.658 108.800 -0.042 0.000 2.539 40 G HA2 0.012 3.972 3.960 -0.000 0.000 0.215 40 G HA3 0.012 3.972 3.960 -0.000 0.000 0.215 40 G C 1.015 175.785 174.900 -0.217 0.000 1.141 40 G CA 0.105 45.134 45.100 -0.119 0.000 0.806 40 G HN 0.577 nan 8.290 nan 0.000 0.533 41 K N -0.718 119.535 120.400 -0.245 0.000 2.444 41 K HA 0.254 4.574 4.320 -0.000 0.000 0.193 41 K C 0.498 176.438 176.600 -1.100 0.000 1.024 41 K CA 0.265 56.196 56.287 -0.594 0.000 1.077 41 K CB 0.105 32.256 32.500 -0.581 0.000 0.833 41 K HN 0.428 nan 8.250 nan 0.000 0.517 42 F N -1.321 118.564 119.950 -0.109 0.000 2.897 42 F HA 0.175 4.702 4.527 -0.000 0.000 0.364 42 F C 1.209 176.948 175.800 -0.102 0.000 0.940 42 F CA 0.037 57.977 58.000 -0.100 0.000 1.106 42 F CB 0.807 39.776 39.000 -0.053 0.000 1.034 42 F HN 0.078 nan 8.300 nan 0.000 0.583 43 G N 0.700 109.513 108.800 0.021 0.000 2.528 43 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.262 43 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.262 43 G C -0.891 174.106 174.900 0.162 0.000 1.200 43 G CA -0.336 44.781 45.100 0.030 0.000 0.951 43 G HN 0.055 nan 8.290 nan 0.000 0.566 44 Y N 0.634 120.882 120.300 -0.087 0.000 2.436 44 Y HA 0.501 5.051 4.550 -0.000 0.000 0.343 44 Y C 1.141 177.065 175.900 0.039 0.000 1.008 44 Y CA -0.948 57.153 58.100 0.002 0.000 1.241 44 Y CB 0.717 39.218 38.460 0.068 0.000 1.153 44 Y HN 0.340 nan 8.280 nan 0.000 0.521 45 I N 5.833 126.478 120.570 0.125 0.000 2.352 45 I HA 0.040 4.210 4.170 -0.000 0.000 0.290 45 I C 0.636 176.822 176.117 0.114 0.000 1.036 45 I CA 0.405 61.767 61.300 0.103 0.000 1.336 45 I CB 0.951 38.992 38.000 0.068 0.000 1.407 45 I HN 0.782 nan 8.210 nan 0.000 0.497 46 L N 5.879 127.176 121.223 0.123 0.000 2.445 46 L HA 0.232 4.572 4.340 -0.000 0.000 0.207 46 L C 0.434 177.369 176.870 0.109 0.000 1.053 46 L CA 0.524 55.439 54.840 0.124 0.000 0.841 46 L CB 0.617 42.756 42.059 0.132 0.000 1.074 46 L HN 0.589 nan 8.230 nan 0.000 0.479 47 C N 0.132 119.495 119.300 0.106 0.000 3.006 47 C HA 0.507 4.967 4.460 -0.000 0.000 0.359 47 C C -0.615 174.435 174.990 0.100 0.000 1.103 47 C CA -0.877 58.203 59.018 0.104 0.000 1.286 47 C CB 1.114 28.914 27.740 0.101 0.000 1.694 47 C HN -0.019 nan 8.230 nan 0.000 0.511 48 V N 7.089 127.078 119.914 0.125 0.000 2.455 48 V HA 0.283 4.403 4.120 -0.000 0.000 0.273 48 V C 0.582 176.744 176.094 0.115 0.000 1.045 48 V CA -0.004 62.380 62.300 0.140 0.000 0.976 48 V CB 0.519 32.457 31.823 0.193 0.000 0.993 48 V HN 0.738 nan 8.190 nan 0.000 0.475 49 L N 2.873 124.141 121.223 0.075 0.000 2.468 49 L HA 0.434 4.774 4.340 -0.000 0.000 0.254 49 L C 1.071 177.990 176.870 0.083 0.000 1.171 49 L CA -0.572 54.312 54.840 0.074 0.000 0.809 49 L CB 0.121 42.208 42.059 0.046 0.000 1.155 49 L HN 0.651 nan 8.230 nan 0.000 0.473 50 D N 0.128 120.580 120.400 0.085 0.000 2.704 50 D HA -0.300 4.340 4.640 -0.000 0.000 0.232 50 D C 0.882 177.252 176.300 0.116 0.000 1.183 50 D CA 0.718 54.771 54.000 0.089 0.000 0.647 50 D CB -0.424 40.409 40.800 0.056 0.000 1.013 50 D HN 0.663 nan 8.370 nan 0.000 0.415 51 Y N 0.279 120.596 120.300 0.028 0.000 2.173 51 Y HA -0.319 4.231 4.550 -0.000 0.000 0.282 51 Y C 1.971 177.877 175.900 0.010 0.000 1.192 51 Y CA 2.484 60.597 58.100 0.021 0.000 1.176 51 Y CB 0.060 38.525 38.460 0.008 0.000 0.969 51 Y HN 0.228 nan 8.280 nan 0.000 0.519 52 D N 0.130 120.703 120.400 0.288 0.000 2.084 52 D HA -0.178 4.462 4.640 -0.000 0.000 0.196 52 D C 0.520 176.853 176.300 0.056 0.000 0.985 52 D CA 1.315 55.434 54.000 0.199 0.000 0.826 52 D CB -0.406 40.486 40.800 0.154 0.000 0.978 52 D HN 0.551 nan 8.370 nan 0.000 0.456 53 N N 0.499 119.222 118.700 0.038 0.000 2.509 53 N HA 0.096 4.836 4.740 -0.000 0.000 0.239 53 N C -0.225 175.280 175.510 -0.010 0.000 1.215 53 N CA -0.343 52.715 53.050 0.014 0.000 0.882 53 N CB 0.391 38.892 38.487 0.024 0.000 1.189 53 N HN 0.233 nan 8.380 nan 0.000 0.490 54 I N 0.758 121.294 120.570 -0.056 0.000 2.505 54 I HA -0.038 4.132 4.170 -0.000 0.000 0.287 54 I C 0.611 176.693 176.117 -0.058 0.000 1.104 54 I CA -0.010 61.245 61.300 -0.075 0.000 1.387 54 I CB 0.251 38.139 38.000 -0.187 0.000 1.404 54 I HN 0.094 nan 8.210 nan 0.000 0.528 55 D N 6.919 127.307 120.400 -0.020 0.000 2.351 55 D HA 0.190 4.830 4.640 -0.000 0.000 0.251 55 D C 0.683 176.970 176.300 -0.023 0.000 1.137 55 D CA 0.240 54.234 54.000 -0.010 0.000 0.879 55 D CB 1.296 42.106 40.800 0.016 0.000 1.181 55 D HN 0.409 nan 8.370 nan 0.000 0.448 56 I N 1.723 122.280 120.570 -0.021 0.000 3.883 56 I HA -0.008 4.162 4.170 -0.000 0.000 0.305 56 I C 0.798 176.964 176.117 0.081 0.000 1.247 56 I CA -0.123 61.168 61.300 -0.015 0.000 1.350 56 I CB 0.035 37.975 38.000 -0.099 0.000 1.194 56 I HN 0.441 nan 8.210 nan 0.000 0.441 57 Q N 0.820 120.659 119.800 0.066 0.000 0.317 57 Q HA -0.169 4.171 4.340 -0.000 0.000 0.301 57 Q C -0.198 175.891 176.000 0.148 0.000 1.090 57 Q CA 0.532 56.385 55.803 0.084 0.000 0.217 57 Q CB -0.473 28.310 28.738 0.075 0.000 5.644 57 Q HN 0.345 nan 8.270 nan 0.000 0.298 58 R N 0.076 120.641 120.500 0.108 0.000 2.340 58 R HA 0.447 4.787 4.340 -0.000 0.000 0.300 58 R C 0.287 176.617 176.300 0.050 0.000 1.069 58 R CA 0.507 56.673 56.100 0.110 0.000 0.984 58 R CB 0.847 31.173 30.300 0.044 0.000 1.003 58 R HN 0.514 nan 8.270 nan 0.000 0.459 59 G N 1.892 110.645 108.800 -0.078 0.000 2.425 59 G HA2 0.376 4.336 3.960 -0.000 0.000 0.302 59 G HA3 0.376 4.336 3.960 -0.000 0.000 0.302 59 G C -0.747 173.830 174.900 -0.538 0.000 1.159 59 G CA -0.771 43.829 45.100 -0.833 0.000 0.865 59 G HN 0.629 nan 8.290 nan 0.000 0.515 60 R N 0.469 120.715 120.500 -0.423 0.000 2.604 60 R HA 0.615 4.955 4.340 -0.000 0.000 0.287 60 R C -0.573 175.613 176.300 -0.189 0.000 0.970 60 R CA -0.894 55.074 56.100 -0.219 0.000 0.946 60 R CB 1.455 31.677 30.300 -0.130 0.000 1.127 60 R HN 0.343 nan 8.270 nan 0.000 0.473 61 I N 4.146 124.665 120.570 -0.085 0.000 2.416 61 I HA 0.081 4.251 4.170 -0.000 0.000 0.288 61 I C 0.930 177.023 176.117 -0.041 0.000 1.051 61 I CA -0.535 60.747 61.300 -0.030 0.000 1.375 61 I CB 0.647 38.644 38.000 -0.005 0.000 1.407 61 I HN 0.495 nan 8.210 nan 0.000 0.516 62 L N 7.704 128.909 121.223 -0.031 0.000 2.341 62 L HA 0.131 4.471 4.340 -0.000 0.000 0.185 62 L C -1.803 175.050 176.870 -0.028 0.000 1.091 62 L CA -0.564 54.259 54.840 -0.028 0.000 0.899 62 L CB -0.134 41.915 42.059 -0.017 0.000 1.357 62 L HN 0.537 nan 8.230 nan 0.000 0.535 63 P HA 0.288 nan 4.420 nan 0.000 0.321 63 P C -0.575 176.711 177.300 -0.024 0.000 1.496 63 P CA -0.136 62.948 63.100 -0.026 0.000 1.274 63 P CB 1.555 33.240 31.700 -0.024 0.000 2.236 64 T N -1.791 112.748 114.554 -0.025 0.000 3.310 64 T HA 0.090 4.440 4.350 -0.000 0.000 0.266 64 T C -0.668 174.018 174.700 -0.024 0.000 0.842 64 T CA 0.049 62.135 62.100 -0.023 0.000 0.815 64 T CB 0.431 69.288 68.868 -0.019 0.000 1.247 64 T HN 0.335 nan 8.240 nan 0.000 0.697 65 D N -0.020 120.366 120.400 -0.023 0.000 2.753 65 D HA 0.389 5.029 4.640 -0.000 0.000 0.224 65 D C 1.058 177.338 176.300 -0.033 0.000 1.213 65 D CA -0.430 53.560 54.000 -0.017 0.000 0.833 65 D CB 1.395 42.198 40.800 0.006 0.000 1.607 65 D HN 0.068 nan 8.370 nan 0.000 0.463 66 G N 0.799 109.553 108.800 -0.077 0.000 2.501 66 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.220 66 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.220 66 G C 0.619 175.471 174.900 -0.079 0.000 1.114 66 G CA 0.298 45.301 45.100 -0.161 0.000 0.757 66 G HN 0.517 nan 8.290 nan 0.000 0.559 67 S N 0.294 116.011 115.700 0.028 0.000 2.711 67 S HA 0.308 4.778 4.470 -0.000 0.000 0.320 67 S C 0.589 175.273 174.600 0.141 0.000 1.240 67 S CA 0.312 58.591 58.200 0.131 0.000 1.034 67 S CB 0.603 63.863 63.200 0.099 0.000 0.741 67 S HN 0.712 nan 8.310 nan 0.000 0.496 68 A N 2.520 125.476 122.820 0.227 0.000 2.330 68 A HA 0.709 5.029 4.320 -0.000 0.000 0.329 68 A C -0.166 177.334 177.584 -0.140 0.000 1.135 68 A CA -0.694 51.347 52.037 0.006 0.000 0.817 68 A CB 1.014 19.981 19.000 -0.055 0.000 1.269 68 A HN 0.786 nan 8.150 nan 0.000 0.469 69 E N 0.904 120.890 120.200 -0.357 0.000 2.255 69 E HA 0.536 4.886 4.350 -0.000 0.000 0.256 69 E C -1.893 174.494 176.600 -0.356 0.000 0.887 69 E CA -0.279 55.995 56.400 -0.210 0.000 0.782 69 E CB 0.707 30.349 29.700 -0.097 0.000 1.214 69 E HN 0.454 nan 8.360 nan 0.000 0.417 70 F N 2.318 122.252 119.950 -0.027 0.000 2.450 70 F HA 0.337 4.864 4.527 -0.000 0.000 0.332 70 F C 0.827 176.604 175.800 -0.039 0.000 1.093 70 F CA -1.129 56.849 58.000 -0.037 0.000 1.003 70 F CB 1.016 39.984 39.000 -0.053 0.000 1.151 70 F HN 0.322 nan 8.300 nan 0.000 0.474 71 N N 2.519 121.301 118.700 0.136 0.000 2.719 71 N HA 0.128 4.868 4.740 -0.000 0.000 0.243 71 N C -1.071 174.470 175.510 0.052 0.000 1.104 71 N CA -0.025 53.064 53.050 0.064 0.000 0.981 71 N CB 0.528 39.038 38.487 0.038 0.000 1.290 71 N HN 0.370 nan 8.380 nan 0.000 0.513 72 V N 3.514 123.435 119.914 0.012 0.000 2.390 72 V HA -0.028 4.092 4.120 -0.000 0.000 0.260 72 V C 0.731 176.797 176.094 -0.047 0.000 1.043 72 V CA -0.200 62.069 62.300 -0.051 0.000 1.047 72 V CB -0.122 31.613 31.823 -0.146 0.000 1.066 72 V HN 0.419 nan 8.190 nan 0.000 0.481 73 K N 7.450 127.862 120.400 0.021 0.000 2.276 73 K HA 0.410 4.730 4.320 -0.000 0.000 0.285 73 K C -0.549 176.156 176.600 0.175 0.000 1.062 73 K CA -0.246 56.100 56.287 0.099 0.000 0.918 73 K CB 0.304 32.848 32.500 0.073 0.000 1.055 73 K HN 0.658 nan 8.250 nan 0.000 0.477 74 Y N 0.755 121.030 120.300 -0.042 0.000 2.857 74 Y HA 0.689 5.239 4.550 -0.000 0.000 0.318 74 Y C -0.827 175.061 175.900 -0.021 0.000 1.313 74 Y CA -1.748 56.326 58.100 -0.044 0.000 1.117 74 Y CB 1.357 39.778 38.460 -0.065 0.000 1.344 74 Y HN 0.435 nan 8.280 nan 0.000 0.525 75 R N 1.413 121.796 120.500 -0.196 0.000 2.584 75 R HA 0.794 5.134 4.340 -0.000 0.000 0.276 75 R C -2.071 174.050 176.300 -0.298 0.000 1.046 75 R CA -0.429 55.497 56.100 -0.290 0.000 0.906 75 R CB 2.285 32.535 30.300 -0.084 0.000 1.215 75 R HN 1.127 nan 8.270 nan 0.000 0.449 76 A N 2.493 125.139 122.820 -0.290 0.000 2.568 76 A HA 0.551 4.871 4.320 -0.000 0.000 0.291 76 A C -1.633 175.939 177.584 -0.020 0.000 1.159 76 A CA -0.581 51.374 52.037 -0.137 0.000 0.679 76 A CB 1.801 20.697 19.000 -0.173 0.000 1.285 76 A HN 0.362 nan 8.150 nan 0.000 0.428 77 V N 1.457 121.402 119.914 0.051 0.000 2.364 77 V HA 0.498 4.618 4.120 -0.000 0.000 0.272 77 V C -0.145 176.029 176.094 0.132 0.000 1.036 77 V CA -0.057 62.317 62.300 0.124 0.000 0.880 77 V CB 0.845 32.762 31.823 0.157 0.000 0.991 77 V HN 0.820 nan 8.190 nan 0.000 0.460 78 V N 3.909 123.928 119.914 0.174 0.000 3.103 78 V HA 0.720 4.840 4.120 -0.000 0.000 0.318 78 V C -0.729 175.478 176.094 0.188 0.000 1.114 78 V CA -1.056 61.346 62.300 0.170 0.000 1.020 78 V CB 2.041 33.964 31.823 0.167 0.000 1.085 78 V HN 0.673 nan 8.190 nan 0.000 0.446 79 F N 2.410 122.310 119.950 -0.084 0.000 2.839 79 F HA 0.646 5.173 4.527 -0.000 0.000 0.344 79 F C -1.119 174.610 175.800 -0.118 0.000 1.242 79 F CA -1.002 56.860 58.000 -0.230 0.000 1.091 79 F CB 1.608 40.090 39.000 -0.863 0.000 1.374 79 F HN 0.600 nan 8.300 nan 0.000 0.553 80 K N 7.596 127.690 120.400 -0.510 0.000 2.664 80 K HA 0.452 4.772 4.320 -0.000 0.000 0.234 80 K C -3.352 172.844 176.600 -0.674 0.000 0.980 80 K CA -1.725 54.136 56.287 -0.709 0.000 0.996 80 K CB 1.731 33.910 32.500 -0.535 0.000 1.190 80 K HN 0.365 nan 8.250 nan 0.000 0.479 81 P HA 0.018 nan 4.420 nan 0.000 0.272 81 P C -0.825 176.334 177.300 -0.235 0.000 1.225 81 P CA 0.147 63.123 63.100 -0.206 0.000 0.800 81 P CB 0.321 31.897 31.700 -0.206 0.000 0.894 82 F N -1.739 118.191 119.950 -0.033 0.000 2.664 82 F HA 0.402 4.929 4.527 -0.000 0.000 0.317 82 F C 0.656 176.458 175.800 0.002 0.000 1.108 82 F CA -1.013 56.976 58.000 -0.019 0.000 0.957 82 F CB 1.336 40.341 39.000 0.009 0.000 1.365 82 F HN 0.022 nan 8.300 nan 0.000 0.475 83 K N 0.450 120.975 120.400 0.209 0.000 2.276 83 K HA 0.496 4.816 4.320 -0.000 0.000 0.283 83 K C 0.652 177.324 176.600 0.120 0.000 1.044 83 K CA 0.405 56.764 56.287 0.120 0.000 0.944 83 K CB 0.682 33.229 32.500 0.078 0.000 1.012 83 K HN 0.910 nan 8.250 nan 0.000 0.472 84 G N 1.675 110.528 108.800 0.088 0.000 2.175 84 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 84 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 84 G C -0.023 174.917 174.900 0.066 0.000 0.982 84 G CA 0.003 45.142 45.100 0.064 0.000 0.641 84 G HN 0.650 nan 8.290 nan 0.000 0.527 85 E N 0.457 120.719 120.200 0.104 0.000 2.283 85 E HA 0.494 4.844 4.350 -0.000 0.000 0.278 85 E C -0.184 176.476 176.600 0.099 0.000 1.027 85 E CA -0.570 55.893 56.400 0.105 0.000 0.843 85 E CB 1.178 30.991 29.700 0.189 0.000 1.062 85 E HN 0.122 nan 8.360 nan 0.000 0.401 86 V N 5.790 125.750 119.914 0.077 0.000 2.350 86 V HA 0.302 4.422 4.120 -0.000 0.000 0.276 86 V C -0.026 176.117 176.094 0.082 0.000 1.028 86 V CA -0.487 61.856 62.300 0.072 0.000 0.860 86 V CB 0.795 32.645 31.823 0.045 0.000 0.990 86 V HN 0.520 nan 8.190 nan 0.000 0.453 87 V N 1.568 121.539 119.914 0.097 0.000 3.078 87 V HA 0.861 4.981 4.120 -0.000 0.000 0.311 87 V C -1.426 174.715 176.094 0.077 0.000 1.138 87 V CA -1.047 61.311 62.300 0.097 0.000 1.007 87 V CB 2.566 34.480 31.823 0.150 0.000 1.045 87 V HN 0.769 nan 8.190 nan 0.000 0.432 88 D N 0.717 121.149 120.400 0.053 0.000 2.498 88 D HA 0.826 5.466 4.640 -0.000 0.000 0.247 88 D C 0.112 176.429 176.300 0.027 0.000 1.070 88 D CA -0.188 53.833 54.000 0.035 0.000 0.842 88 D CB 1.781 42.590 40.800 0.015 0.000 1.361 88 D HN 1.073 nan 8.370 nan 0.000 0.484 89 G N -0.289 108.527 108.800 0.026 0.000 2.975 89 G HA2 0.614 4.574 3.960 -0.000 0.000 0.291 89 G HA3 0.614 4.574 3.960 -0.000 0.000 0.291 89 G C -1.181 173.720 174.900 0.000 0.000 1.334 89 G CA -0.852 44.261 45.100 0.021 0.000 0.843 89 G HN 0.397 nan 8.290 nan 0.000 0.548 90 T N 0.664 115.222 114.554 0.006 0.000 2.797 90 T HA 0.507 4.857 4.350 -0.000 0.000 0.279 90 T C 0.344 175.044 174.700 -0.000 0.000 0.991 90 T CA -0.246 61.847 62.100 -0.012 0.000 0.979 90 T CB 1.583 70.448 68.868 -0.005 0.000 0.943 90 T HN 0.431 nan 8.240 nan 0.000 0.444 91 V N 3.960 123.847 119.914 -0.046 0.000 2.872 91 V HA 0.105 4.225 4.120 -0.000 0.000 0.307 91 V C 0.974 177.089 176.094 0.034 0.000 1.072 91 V CA 0.188 62.473 62.300 -0.025 0.000 1.148 91 V CB 0.768 32.505 31.823 -0.142 0.000 0.954 91 V HN 0.816 nan 8.190 nan 0.000 0.490 92 V N 1.785 121.751 119.914 0.086 0.000 3.671 92 V HA 0.164 4.284 4.120 -0.000 0.000 0.202 92 V C 0.730 176.884 176.094 0.100 0.000 1.188 92 V CA 0.800 63.150 62.300 0.083 0.000 1.325 92 V CB 0.613 32.489 31.823 0.089 0.000 1.470 92 V HN 0.891 nan 8.190 nan 0.000 0.520 93 S N -0.232 115.542 115.700 0.124 0.000 2.608 93 S HA 0.629 5.099 4.470 -0.000 0.000 0.291 93 S C -0.722 174.000 174.600 0.204 0.000 1.146 93 S CA -0.547 57.729 58.200 0.126 0.000 1.043 93 S CB 1.695 64.939 63.200 0.072 0.000 1.037 93 S HN 0.572 nan 8.310 nan 0.000 0.520 94 C N 2.824 122.255 119.300 0.218 0.000 2.551 94 C HA 0.839 5.299 4.460 -0.000 0.000 0.332 94 C C 0.056 175.217 174.990 0.285 0.000 1.139 94 C CA 0.134 59.347 59.018 0.326 0.000 1.328 94 C CB 0.504 28.483 27.740 0.397 0.000 1.903 94 C HN 1.242 nan 8.230 nan 0.000 0.459 95 S N 3.954 119.795 115.700 0.236 0.000 2.874 95 S HA 0.470 4.940 4.470 -0.000 0.000 0.318 95 S C 0.408 174.790 174.600 -0.362 0.000 1.109 95 S CA -0.492 57.744 58.200 0.060 0.000 0.878 95 S CB 1.147 64.352 63.200 0.008 0.000 1.307 95 S HN 0.842 nan 8.310 nan 0.000 0.592 96 Q N -0.461 119.042 119.800 -0.494 0.000 2.482 96 Q HA 0.158 4.498 4.340 -0.000 0.000 0.209 96 Q C 0.536 176.352 176.000 -0.307 0.000 0.961 96 Q CA 0.833 56.052 55.803 -0.973 0.000 0.945 96 Q CB -0.584 28.033 28.738 -0.202 0.000 1.012 96 Q HN 0.791 nan 8.270 nan 0.000 0.515 97 H N -0.507 118.430 119.070 -0.222 0.000 3.058 97 H HA 0.403 4.959 4.556 -0.000 0.000 0.266 97 H C 0.502 175.848 175.328 0.029 0.000 1.135 97 H CA -0.044 55.980 56.048 -0.039 0.000 1.174 97 H CB 1.462 31.269 29.762 0.074 0.000 1.581 97 H HN 0.354 nan 8.280 nan 0.000 0.553 98 G N 1.329 110.214 108.800 0.142 0.000 2.353 98 G HA2 0.034 3.994 3.960 -0.000 0.000 0.424 98 G HA3 0.034 3.994 3.960 -0.000 0.000 0.424 98 G C -1.432 173.532 174.900 0.105 0.000 1.320 98 G CA -0.721 44.267 45.100 -0.185 0.000 0.995 98 G HN 0.142 nan 8.290 nan 0.000 0.580 99 F N -0.882 119.069 119.950 0.001 0.000 2.541 99 F HA 0.925 5.452 4.527 -0.000 0.000 0.331 99 F C -0.114 175.863 175.800 0.294 0.000 1.057 99 F CA -1.934 56.151 58.000 0.143 0.000 0.975 99 F CB 1.960 40.951 39.000 -0.015 0.000 1.246 99 F HN 0.663 nan 8.300 nan 0.000 0.484 100 E N 1.489 122.077 120.200 0.646 0.000 2.155 100 E HA 0.565 4.915 4.350 -0.000 0.000 0.264 100 E C -1.701 175.120 176.600 0.369 0.000 0.886 100 E CA -0.785 55.934 56.400 0.531 0.000 0.752 100 E CB 1.826 31.727 29.700 0.335 0.000 1.133 100 E HN 0.653 nan 8.360 nan 0.000 0.414 101 V N 4.102 124.222 119.914 0.343 0.000 2.644 101 V HA 0.175 4.295 4.120 -0.000 0.000 0.295 101 V C 0.042 176.233 176.094 0.162 0.000 1.053 101 V CA -0.405 62.011 62.300 0.194 0.000 0.987 101 V CB 1.568 33.496 31.823 0.176 0.000 1.006 101 V HN 0.735 nan 8.190 nan 0.000 0.472 102 Q N 2.800 122.665 119.800 0.109 0.000 2.560 102 Q HA 0.368 4.708 4.340 -0.000 0.000 0.238 102 Q C -1.255 174.790 176.000 0.076 0.000 1.079 102 Q CA -0.378 55.485 55.803 0.099 0.000 0.866 102 Q CB 1.324 30.112 28.738 0.084 0.000 1.153 102 Q HN 0.642 nan 8.270 nan 0.000 0.530 103 V N 4.481 124.453 119.914 0.097 0.000 2.341 103 V HA 0.321 4.441 4.120 -0.000 0.000 0.248 103 V C 1.056 177.173 176.094 0.038 0.000 1.107 103 V CA 0.944 63.295 62.300 0.086 0.000 1.069 103 V CB -0.533 31.383 31.823 0.156 0.000 1.177 103 V HN 0.995 nan 8.190 nan 0.000 0.492 104 G N 7.358 116.143 108.800 -0.024 0.000 2.539 104 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.256 104 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.256 104 G C -0.903 173.977 174.900 -0.034 0.000 1.233 104 G CA 0.086 45.128 45.100 -0.097 0.000 0.936 104 G HN 0.554 nan 8.290 nan 0.000 0.571 105 P HA 0.015 nan 4.420 nan 0.000 0.231 105 P C 0.919 178.237 177.300 0.029 0.000 1.158 105 P CA 1.631 64.770 63.100 0.064 0.000 0.763 105 P CB 0.053 31.842 31.700 0.149 0.000 0.805 106 M N -0.234 119.357 119.600 -0.016 0.000 2.654 106 M HA 0.409 4.889 4.480 -0.000 0.000 0.310 106 M C -0.927 175.409 176.300 0.060 0.000 1.211 106 M CA -0.637 54.630 55.300 -0.056 0.000 0.947 106 M CB 2.211 34.750 32.600 -0.101 0.000 1.647 106 M HN -0.404 nan 8.290 nan 0.000 0.481 107 K N 2.663 123.107 120.400 0.073 0.000 2.507 107 K HA 0.484 4.804 4.320 -0.000 0.000 0.253 107 K C -1.681 175.059 176.600 0.233 0.000 0.969 107 K CA -0.600 55.794 56.287 0.179 0.000 0.908 107 K CB 1.992 34.643 32.500 0.251 0.000 1.127 107 K HN 0.542 nan 8.250 nan 0.000 0.437 108 V N 4.354 124.395 119.914 0.212 0.000 2.439 108 V HA 0.368 4.488 4.120 -0.000 0.000 0.282 108 V C -0.364 175.905 176.094 0.291 0.000 1.039 108 V CA -0.798 61.635 62.300 0.222 0.000 0.913 108 V CB 0.666 32.590 31.823 0.168 0.000 0.983 108 V HN 0.527 nan 8.190 nan 0.000 0.460 109 F N 5.381 125.387 119.950 0.093 0.000 2.458 109 F HA 0.785 5.312 4.527 -0.000 0.000 0.330 109 F C -0.431 175.343 175.800 -0.043 0.000 1.082 109 F CA -0.971 57.052 58.000 0.040 0.000 0.995 109 F CB 1.825 40.833 39.000 0.012 0.000 1.170 109 F HN 0.238 nan 8.300 nan 0.000 0.478 110 V N 4.189 123.461 119.914 -1.069 0.000 2.483 110 V HA 0.305 4.425 4.120 -0.000 0.000 0.297 110 V C -0.223 174.947 176.094 -1.539 0.000 1.027 110 V CA -0.794 60.832 62.300 -1.123 0.000 0.855 110 V CB 1.588 32.839 31.823 -0.953 0.000 0.995 110 V HN 0.875 nan 8.190 nan 0.000 0.424 111 T N 3.973 117.904 114.554 -1.039 0.000 2.919 111 T HA 0.085 4.435 4.350 -0.000 0.000 0.302 111 T C 1.243 175.644 174.700 -0.498 0.000 1.031 111 T CA -0.096 61.610 62.100 -0.658 0.000 1.127 111 T CB 1.078 69.772 68.868 -0.290 0.000 0.952 111 T HN 0.854 nan 8.240 nan 0.000 0.540 112 K N 2.032 122.207 120.400 -0.375 0.000 2.089 112 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 112 K C 1.472 177.872 176.600 -0.334 0.000 1.048 112 K CA 1.878 57.963 56.287 -0.336 0.000 0.926 112 K CB -0.212 32.078 32.500 -0.351 0.000 0.714 112 K HN 0.628 nan 8.250 nan 0.000 0.448 113 H N -0.787 118.218 119.070 -0.107 0.000 2.533 113 H HA 0.118 4.674 4.556 -0.000 0.000 0.271 113 H C 0.448 175.719 175.328 -0.096 0.000 1.000 113 H CA 0.391 56.394 56.048 -0.076 0.000 1.149 113 H CB 0.401 30.128 29.762 -0.058 0.000 1.375 113 H HN 0.132 nan 8.280 nan 0.000 0.582 114 L N 0.370 121.542 121.223 -0.086 0.000 2.769 114 L HA 0.237 4.577 4.340 -0.000 0.000 0.240 114 L C 0.335 177.130 176.870 -0.125 0.000 1.163 114 L CA 0.158 54.935 54.840 -0.106 0.000 0.962 114 L CB -0.055 41.901 42.059 -0.171 0.000 1.258 114 L HN 0.002 nan 8.230 nan 0.000 0.513 115 M N -0.746 118.784 119.600 -0.118 0.000 2.653 115 M HA 0.591 5.071 4.480 -0.000 0.000 0.262 115 M C -2.224 174.070 176.300 -0.011 0.000 1.002 115 M CA -1.772 53.478 55.300 -0.084 0.000 1.084 115 M CB 0.110 32.632 32.600 -0.129 0.000 1.511 115 M HN -0.283 nan 8.290 nan 0.000 0.612 116 P HA 0.269 nan 4.420 nan 0.000 0.297 116 P C -0.830 176.505 177.300 0.058 0.000 1.307 116 P CA -0.096 63.026 63.100 0.036 0.000 0.773 116 P CB 0.918 32.641 31.700 0.037 0.000 1.265 117 Q N -0.345 119.490 119.800 0.058 0.000 2.226 117 Q HA -0.051 4.289 4.340 -0.000 0.000 0.199 117 Q C 1.538 177.579 176.000 0.068 0.000 0.945 117 Q CA 1.238 57.084 55.803 0.070 0.000 0.861 117 Q CB -0.430 28.342 28.738 0.058 0.000 0.953 117 Q HN 0.538 nan 8.270 nan 0.000 0.490 118 D N 0.343 120.776 120.400 0.055 0.000 2.403 118 D HA -0.127 4.513 4.640 -0.000 0.000 0.227 118 D C -0.113 176.230 176.300 0.071 0.000 0.995 118 D CA 0.366 54.397 54.000 0.052 0.000 0.928 118 D CB 0.083 40.905 40.800 0.037 0.000 0.887 118 D HN 0.116 nan 8.370 nan 0.000 0.529 119 L N 1.869 123.151 121.223 0.098 0.000 2.295 119 L HA 0.276 4.615 4.340 -0.000 0.000 0.281 119 L C 0.246 177.231 176.870 0.191 0.000 1.018 119 L CA -0.390 54.541 54.840 0.152 0.000 0.841 119 L CB 1.298 43.461 42.059 0.173 0.000 1.218 119 L HN -0.020 nan 8.230 nan 0.000 0.424 120 T N 1.250 115.894 114.554 0.151 0.000 2.902 120 T HA 0.547 4.897 4.350 -0.000 0.000 0.287 120 T C -0.394 174.332 174.700 0.044 0.000 1.048 120 T CA -0.451 61.711 62.100 0.103 0.000 0.941 120 T CB 0.928 69.814 68.868 0.030 0.000 1.432 120 T HN 0.339 nan 8.240 nan 0.000 0.586 121 F N 1.762 121.528 119.950 -0.308 0.000 2.496 121 F HA 0.543 5.070 4.527 -0.000 0.000 0.341 121 F C -0.779 174.806 175.800 -0.359 0.000 1.134 121 F CA -1.501 56.082 58.000 -0.694 0.000 0.968 121 F CB 0.945 39.449 39.000 -0.826 0.000 1.205 121 F HN 0.603 nan 8.300 nan 0.000 0.436 122 N N 4.633 122.831 118.700 -0.837 0.000 2.408 122 N HA 0.450 5.190 4.740 -0.000 0.000 0.257 122 N C 0.446 175.356 175.510 -1.000 0.000 1.064 122 N CA 0.549 53.177 53.050 -0.704 0.000 0.952 122 N CB 1.667 39.958 38.487 -0.325 0.000 1.093 122 N HN 0.773 nan 8.380 nan 0.000 0.490 123 A N 3.289 125.593 122.820 -0.861 0.000 1.835 123 A HA 0.144 4.464 4.320 -0.000 0.000 0.213 123 A C 1.498 178.932 177.584 -0.250 0.000 1.210 123 A CA 1.074 52.767 52.037 -0.575 0.000 0.605 123 A CB -1.111 17.703 19.000 -0.310 0.000 0.860 123 A HN 0.640 nan 8.150 nan 0.000 0.447 124 G N 1.080 109.770 108.800 -0.182 0.000 3.324 124 G HA2 0.319 4.279 3.960 -0.000 0.000 0.232 124 G HA3 0.319 4.279 3.960 -0.000 0.000 0.232 124 G C 0.427 175.273 174.900 -0.089 0.000 1.213 124 G CA 0.625 45.665 45.100 -0.101 0.000 1.637 124 G HN 0.691 nan 8.290 nan 0.000 0.572 125 S N -0.962 114.680 115.700 -0.098 0.000 2.681 125 S HA 0.585 5.055 4.470 -0.000 0.000 0.299 125 S C -0.460 174.129 174.600 -0.020 0.000 1.113 125 S CA -1.089 57.074 58.200 -0.062 0.000 1.013 125 S CB 2.365 65.519 63.200 -0.076 0.000 1.076 125 S HN 0.242 nan 8.310 nan 0.000 0.534 126 N N 1.514 120.212 118.700 -0.005 0.000 2.629 126 N HA 0.339 5.079 4.740 -0.000 0.000 0.277 126 N C -2.759 172.761 175.510 0.017 0.000 1.188 126 N CA -0.904 52.152 53.050 0.011 0.000 0.835 126 N CB 1.104 39.595 38.487 0.006 0.000 1.420 126 N HN 0.671 nan 8.380 nan 0.000 0.542 127 P HA 0.394 nan 4.420 nan 0.000 0.276 127 P C -2.903 174.434 177.300 0.062 0.000 1.252 127 P CA -1.089 62.039 63.100 0.048 0.000 0.802 127 P CB 0.183 31.916 31.700 0.054 0.000 1.035 128 P HA 0.043 nan 4.420 nan 0.000 0.264 128 P C -0.061 177.356 177.300 0.195 0.000 1.183 128 P CA 0.573 63.754 63.100 0.135 0.000 0.763 128 P CB 0.335 32.165 31.700 0.218 0.000 0.807 129 S N 1.913 117.713 115.700 0.168 0.000 2.819 129 S HA 0.642 5.112 4.470 -0.000 0.000 0.299 129 S C -1.750 173.015 174.600 0.275 0.000 1.192 129 S CA -0.629 57.729 58.200 0.263 0.000 0.847 129 S CB 0.930 64.216 63.200 0.142 0.000 1.224 129 S HN 0.208 nan 8.310 nan 0.000 0.537 130 Y N 0.891 121.306 120.300 0.191 0.000 2.329 130 Y HA 0.518 5.068 4.550 -0.000 0.000 0.328 130 Y C 0.150 176.114 175.900 0.106 0.000 0.992 130 Y CA -0.453 57.767 58.100 0.200 0.000 1.151 130 Y CB 1.957 40.579 38.460 0.270 0.000 1.150 130 Y HN 0.666 nan 8.280 nan 0.000 0.450 131 Q N 1.335 121.217 119.800 0.137 0.000 2.205 131 Q HA 0.700 5.040 4.340 -0.000 0.000 0.249 131 Q C -0.497 175.560 176.000 0.096 0.000 0.948 131 Q CA -0.623 55.234 55.803 0.089 0.000 0.895 131 Q CB 2.326 31.078 28.738 0.023 0.000 1.249 131 Q HN 0.671 nan 8.270 nan 0.000 0.458 132 S N -0.852 114.890 115.700 0.070 0.000 2.851 132 S HA 0.320 4.790 4.470 -0.000 0.000 0.313 132 S C 0.486 175.107 174.600 0.035 0.000 1.163 132 S CA -0.376 57.859 58.200 0.059 0.000 0.850 132 S CB 1.318 64.556 63.200 0.063 0.000 1.245 132 S HN 0.581 nan 8.310 nan 0.000 0.558 133 S N 1.052 116.769 115.700 0.028 0.000 2.355 133 S HA -0.060 4.410 4.470 -0.000 0.000 0.222 133 S C 1.344 175.952 174.600 0.014 0.000 1.031 133 S CA 1.691 59.901 58.200 0.017 0.000 0.993 133 S CB -0.413 62.795 63.200 0.013 0.000 0.859 133 S HN 0.787 nan 8.310 nan 0.000 0.453 134 E N -0.386 119.823 120.200 0.015 0.000 2.536 134 E HA 0.210 4.560 4.350 -0.000 0.000 0.220 134 E C -0.644 175.965 176.600 0.015 0.000 0.876 134 E CA -0.210 56.197 56.400 0.011 0.000 1.190 134 E CB 0.278 29.981 29.700 0.006 0.000 1.191 134 E HN 0.201 nan 8.360 nan 0.000 0.557 135 D N 1.158 121.572 120.400 0.024 0.000 2.217 135 D HA 0.397 5.037 4.640 -0.000 0.000 0.248 135 D C -0.766 175.560 176.300 0.043 0.000 1.008 135 D CA -0.525 53.492 54.000 0.029 0.000 0.914 135 D CB 2.875 43.694 40.800 0.032 0.000 1.182 135 D HN -0.126 nan 8.370 nan 0.000 0.451 136 V N 2.559 122.496 119.914 0.040 0.000 2.577 136 V HA 0.293 4.413 4.120 -0.000 0.000 0.294 136 V C -0.296 175.826 176.094 0.047 0.000 1.052 136 V CA -0.584 61.749 62.300 0.055 0.000 0.891 136 V CB 1.630 33.475 31.823 0.037 0.000 1.017 136 V HN 0.386 nan 8.190 nan 0.000 0.436 137 I N 4.704 125.324 120.570 0.084 0.000 2.339 137 I HA 0.697 4.867 4.170 -0.000 0.000 0.290 137 I C 0.426 176.595 176.117 0.086 0.000 0.994 137 I CA 0.247 61.564 61.300 0.028 0.000 1.191 137 I CB 1.944 39.925 38.000 -0.032 0.000 1.343 137 I HN 0.648 nan 8.210 nan 0.000 0.458 138 T N 4.164 118.732 114.554 0.023 0.000 2.564 138 T HA 0.467 4.817 4.350 -0.000 0.000 0.265 138 T C 1.277 175.987 174.700 0.017 0.000 0.908 138 T CA -0.665 61.476 62.100 0.069 0.000 1.166 138 T CB 0.631 69.541 68.868 0.071 0.000 1.497 138 T HN 0.258 nan 8.240 nan 0.000 0.484 139 I N 1.254 121.850 120.570 0.043 0.000 2.704 139 I HA -0.247 3.923 4.170 -0.000 0.000 0.162 139 I C 2.347 178.461 176.117 -0.005 0.000 0.923 139 I CA 1.254 62.572 61.300 0.029 0.000 1.277 139 I CB -0.391 37.632 38.000 0.037 0.000 1.025 139 I HN 0.489 nan 8.210 nan 0.000 0.395 140 K N 1.411 121.810 120.400 -0.002 0.000 2.442 140 K HA -0.094 4.226 4.320 -0.000 0.000 0.200 140 K C 0.825 177.405 176.600 -0.034 0.000 1.045 140 K CA 0.741 57.020 56.287 -0.013 0.000 0.937 140 K CB -1.044 31.453 32.500 -0.005 0.000 0.757 140 K HN 0.632 nan 8.250 nan 0.000 0.474 141 S N 1.819 117.490 115.700 -0.049 0.000 2.575 141 S HA 0.045 4.515 4.470 -0.000 0.000 0.295 141 S C 0.140 174.679 174.600 -0.101 0.000 1.267 141 S CA -0.370 57.787 58.200 -0.072 0.000 1.074 141 S CB 0.387 63.535 63.200 -0.086 0.000 0.829 141 S HN 0.107 nan 8.310 nan 0.000 0.497 142 R N 2.427 122.882 120.500 -0.076 0.000 2.340 142 R HA 0.532 4.872 4.340 -0.000 0.000 0.300 142 R C -0.183 176.063 176.300 -0.089 0.000 1.069 142 R CA -0.157 55.900 56.100 -0.072 0.000 0.984 142 R CB 0.440 30.714 30.300 -0.043 0.000 1.003 142 R HN 0.651 nan 8.270 nan 0.000 0.459 143 I N 1.607 122.117 120.570 -0.099 0.000 2.957 143 I HA 0.456 4.626 4.170 -0.000 0.000 0.310 143 I C -0.085 176.021 176.117 -0.020 0.000 1.063 143 I CA -1.176 60.072 61.300 -0.088 0.000 1.033 143 I CB 2.292 40.184 38.000 -0.181 0.000 1.230 143 I HN 0.420 nan 8.210 nan 0.000 0.447 144 R N 3.248 123.755 120.500 0.012 0.000 2.451 144 R HA 0.691 5.031 4.340 -0.000 0.000 0.307 144 R C -2.004 174.334 176.300 0.064 0.000 0.965 144 R CA -0.367 55.756 56.100 0.038 0.000 0.865 144 R CB 1.559 31.882 30.300 0.038 0.000 1.174 144 R HN 0.469 nan 8.270 nan 0.000 0.455 145 V N 3.609 123.570 119.914 0.079 0.000 2.881 145 V HA 0.407 4.527 4.120 -0.000 0.000 0.316 145 V C -0.327 175.815 176.094 0.080 0.000 1.070 145 V CA -0.885 61.469 62.300 0.090 0.000 0.976 145 V CB 1.948 33.838 31.823 0.113 0.000 1.038 145 V HN 0.677 nan 8.190 nan 0.000 0.446 146 K N 3.122 123.563 120.400 0.068 0.000 2.404 146 K HA 0.485 4.805 4.320 -0.000 0.000 0.257 146 K C -0.690 175.945 176.600 0.059 0.000 1.026 146 K CA -0.521 55.804 56.287 0.063 0.000 0.951 146 K CB 0.604 33.135 32.500 0.052 0.000 1.203 146 K HN 0.644 nan 8.250 nan 0.000 0.446 147 I N 5.424 126.040 120.570 0.076 0.000 2.705 147 I HA -0.092 4.078 4.170 -0.000 0.000 0.291 147 I C 1.318 177.472 176.117 0.060 0.000 1.146 147 I CA -0.005 61.339 61.300 0.074 0.000 1.383 147 I CB 0.390 38.448 38.000 0.096 0.000 1.454 147 I HN 0.691 nan 8.210 nan 0.000 0.581 148 E N 4.564 124.788 120.200 0.040 0.000 2.106 148 E HA -0.003 4.347 4.350 -0.000 0.000 0.192 148 E C 0.990 177.612 176.600 0.036 0.000 0.984 148 E CA 0.544 56.963 56.400 0.032 0.000 0.806 148 E CB 0.239 29.947 29.700 0.014 0.000 0.750 148 E HN 0.777 nan 8.360 nan 0.000 0.458 149 G N -0.749 108.074 108.800 0.038 0.000 2.718 149 G HA2 0.408 4.368 3.960 -0.000 0.000 0.295 149 G HA3 0.408 4.368 3.960 -0.000 0.000 0.295 149 G C -1.398 173.521 174.900 0.032 0.000 1.421 149 G CA -0.504 44.616 45.100 0.034 0.000 0.902 149 G HN 0.078 nan 8.290 nan 0.000 0.501 150 C N 0.789 120.096 119.300 0.011 0.000 2.417 150 C HA 0.762 5.222 4.460 -0.000 0.000 0.324 150 C C -0.172 174.815 174.990 -0.005 0.000 1.240 150 C CA -0.381 58.631 59.018 -0.010 0.000 1.632 150 C CB 0.125 27.822 27.740 -0.072 0.000 2.241 150 C HN 0.539 nan 8.230 nan 0.000 0.499 151 I N 3.768 124.348 120.570 0.018 0.000 2.476 151 I HA 0.255 4.425 4.170 -0.000 0.000 0.281 151 I C 0.278 176.414 176.117 0.033 0.000 1.040 151 I CA 0.102 61.420 61.300 0.030 0.000 1.094 151 I CB 1.436 39.475 38.000 0.065 0.000 1.219 151 I HN 0.656 nan 8.210 nan 0.000 0.450 152 S N 5.357 121.056 115.700 -0.002 0.000 2.592 152 S HA 0.531 5.001 4.470 -0.000 0.000 0.271 152 S C -0.404 174.211 174.600 0.026 0.000 1.326 152 S CA -0.538 57.660 58.200 -0.005 0.000 1.024 152 S CB 1.725 64.903 63.200 -0.038 0.000 0.921 152 S HN 0.739 nan 8.310 nan 0.000 0.527 153 Q N 1.449 121.268 119.800 0.031 0.000 2.507 153 Q HA 0.348 4.688 4.340 -0.000 0.000 0.248 153 Q C -0.209 175.807 176.000 0.027 0.000 0.941 153 Q CA -0.499 55.330 55.803 0.044 0.000 1.003 153 Q CB 0.981 29.779 28.738 0.099 0.000 1.517 153 Q HN 0.697 nan 8.270 nan 0.000 0.443 154 V N 2.196 122.117 119.914 0.011 0.000 0.685 154 V HA -0.454 3.666 4.120 -0.000 0.000 0.092 154 V C 0.531 176.606 176.094 -0.033 0.000 0.876 154 V CA 2.544 64.842 62.300 -0.003 0.000 3.117 154 V CB -1.834 29.995 31.823 0.010 0.000 0.247 154 V HN 1.151 nan 8.190 nan 0.000 0.190 155 S N 0.269 115.940 115.700 -0.048 0.000 2.617 155 S HA 0.705 5.175 4.470 -0.000 0.000 0.237 155 S C -0.466 174.025 174.600 -0.182 0.000 1.142 155 S CA 0.417 58.547 58.200 -0.116 0.000 1.167 155 S CB 0.945 64.091 63.200 -0.091 0.000 1.068 155 S HN 2.003 nan 8.310 nan 0.000 0.470 156 S N 0.335 115.953 115.700 -0.137 0.000 2.655 156 S HA 0.765 5.235 4.470 -0.000 0.000 0.266 156 S C -1.554 173.055 174.600 0.016 0.000 1.149 156 S CA -1.041 57.113 58.200 -0.077 0.000 0.818 156 S CB 0.633 63.829 63.200 -0.006 0.000 1.130 156 S HN 0.357 nan 8.310 nan 0.000 0.476 157 I N 1.499 122.080 120.570 0.019 0.000 2.644 157 I HA 0.459 4.629 4.170 -0.000 0.000 0.291 157 I C -1.051 174.855 176.117 -0.352 0.000 1.180 157 I CA -0.495 60.754 61.300 -0.086 0.000 1.040 157 I CB 2.168 40.170 38.000 0.004 0.000 1.255 157 I HN 0.693 nan 8.210 nan 0.000 0.422 158 H N 3.722 122.824 119.070 0.053 0.000 2.797 158 H HA 0.904 5.460 4.556 -0.000 0.000 0.362 158 H C -0.723 174.630 175.328 0.041 0.000 1.183 158 H CA -0.993 55.089 56.048 0.056 0.000 1.197 158 H CB 2.468 32.267 29.762 0.062 0.000 1.835 158 H HN 0.697 nan 8.280 nan 0.000 0.567 159 A N 1.193 124.135 122.820 0.202 0.000 2.594 159 A HA 0.444 4.764 4.320 -0.000 0.000 0.296 159 A C -1.286 176.384 177.584 0.144 0.000 1.056 159 A CA -0.646 51.468 52.037 0.129 0.000 0.693 159 A CB 0.990 20.032 19.000 0.070 0.000 1.278 159 A HN 0.499 nan 8.150 nan 0.000 0.408 160 I N 1.402 122.032 120.570 0.100 0.000 2.385 160 I HA 0.637 4.807 4.170 -0.000 0.000 0.294 160 I C 0.812 176.940 176.117 0.017 0.000 0.988 160 I CA -0.405 60.929 61.300 0.057 0.000 1.265 160 I CB 1.936 39.957 38.000 0.036 0.000 1.388 160 I HN 0.797 nan 8.210 nan 0.000 0.480 161 G N 2.940 111.724 108.800 -0.026 0.000 2.574 161 G HA2 0.632 4.592 3.960 -0.000 0.000 0.299 161 G HA3 0.632 4.592 3.960 -0.000 0.000 0.299 161 G C -1.032 173.830 174.900 -0.064 0.000 1.298 161 G CA -0.473 44.620 45.100 -0.011 0.000 0.952 161 G HN 0.651 nan 8.290 nan 0.000 0.477 162 S N -1.091 114.592 115.700 -0.029 0.000 2.664 162 S HA 0.696 5.166 4.470 -0.000 0.000 0.304 162 S C 0.404 175.004 174.600 0.001 0.000 1.099 162 S CA -0.660 57.514 58.200 -0.043 0.000 1.003 162 S CB 1.611 64.794 63.200 -0.028 0.000 1.092 162 S HN 1.242 nan 8.310 nan 0.000 0.525 163 I N -2.618 117.951 120.570 -0.002 0.000 3.597 163 I HA 0.477 4.647 4.170 -0.000 0.000 0.323 163 I C 0.840 176.971 176.117 0.024 0.000 1.535 163 I CA -0.522 60.800 61.300 0.037 0.000 1.028 163 I CB 0.179 38.229 38.000 0.083 0.000 1.354 163 I HN 0.636 nan 8.210 nan 0.000 0.544 164 K N 1.261 121.668 120.400 0.011 0.000 2.314 164 K HA 0.131 4.451 4.320 -0.000 0.000 0.198 164 K C 0.913 177.525 176.600 0.020 0.000 1.045 164 K CA 0.342 56.636 56.287 0.011 0.000 0.988 164 K CB 0.479 32.980 32.500 0.003 0.000 0.783 164 K HN 0.349 nan 8.250 nan 0.000 0.484 165 E N 1.180 121.400 120.200 0.032 0.000 3.136 165 E HA 0.008 4.358 4.350 -0.000 0.000 0.271 165 E C -0.323 176.308 176.600 0.051 0.000 1.454 165 E CA 0.217 56.647 56.400 0.049 0.000 1.194 165 E CB 0.092 29.832 29.700 0.067 0.000 1.175 165 E HN 0.144 nan 8.360 nan 0.000 0.726 166 D N -1.732 118.724 120.400 0.093 0.000 2.432 166 D HA 0.186 4.826 4.640 -0.000 0.000 0.258 166 D C -0.700 175.701 176.300 0.170 0.000 1.146 166 D CA -0.311 53.717 54.000 0.046 0.000 1.015 166 D CB 0.139 40.966 40.800 0.046 0.000 1.107 166 D HN 0.308 nan 8.370 nan 0.000 0.529 167 Y N -0.939 119.367 120.300 0.010 0.000 3.152 167 Y HA -0.208 4.342 4.550 -0.000 0.000 0.212 167 Y C -0.615 175.292 175.900 0.012 0.000 1.198 167 Y CA 0.152 58.258 58.100 0.009 0.000 1.220 167 Y CB -1.622 36.842 38.460 0.006 0.000 1.326 167 Y HN 0.152 nan 8.280 nan 0.000 0.562 168 L N -0.911 120.367 121.223 0.091 0.000 2.455 168 L HA 0.825 5.165 4.340 -0.000 0.000 0.264 168 L C 0.590 177.487 176.870 0.045 0.000 0.968 168 L CA -0.074 54.811 54.840 0.075 0.000 0.827 168 L CB 2.361 44.466 42.059 0.076 0.000 1.317 168 L HN 0.342 nan 8.230 nan 0.000 0.407 169 G N 1.466 110.292 108.800 0.044 0.000 2.384 169 G HA2 0.346 4.306 3.960 -0.000 0.000 0.113 169 G HA3 0.346 4.306 3.960 -0.000 0.000 0.113 169 G C -1.219 173.684 174.900 0.004 0.000 1.224 169 G CA 0.122 45.241 45.100 0.032 0.000 1.126 169 G HN 0.831 nan 8.290 nan 0.000 0.461 170 A N -0.421 122.395 122.820 -0.007 0.000 2.301 170 A HA 0.959 5.279 4.320 -0.000 0.000 0.287 170 A C 0.303 177.880 177.584 -0.011 0.000 1.274 170 A CA 0.370 52.392 52.037 -0.024 0.000 0.865 170 A CB 0.046 19.032 19.000 -0.024 0.000 1.324 170 A HN 1.752 nan 8.150 nan 0.000 0.508 171 I N 0.000 120.561 120.570 -0.015 0.000 2.984 171 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 171 I CA 0.000 61.296 61.300 -0.007 0.000 1.566 171 I CB 0.000 37.998 38.000 -0.004 0.000 1.214 171 I HN 0.000 nan 8.210 nan 0.000 0.494