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 2ja5_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 0.000 176.587 176.300 0.479 0.000 1.140 1 M CA 0.000 55.422 55.300 0.203 0.000 0.988 1 M CB 0.000 32.825 32.600 0.374 0.000 1.302 2 F N 1.443 121.472 119.950 0.131 0.000 2.410 2 F HA 0.589 5.116 4.527 -0.000 0.000 0.334 2 F C 0.116 176.007 175.800 0.150 0.000 1.134 2 F CA 0.309 58.506 58.000 0.328 0.000 1.227 2 F CB 0.448 39.540 39.000 0.154 0.000 1.194 2 F HN -0.055 nan 8.300 nan 0.000 0.571 3 F N 1.326 121.451 119.950 0.291 0.000 2.664 3 F HA 0.605 5.132 4.527 -0.000 0.000 0.329 3 F C -0.446 175.442 175.800 0.146 0.000 1.090 3 F CA -1.122 56.991 58.000 0.189 0.000 0.978 3 F CB 1.346 40.434 39.000 0.147 0.000 1.378 3 F HN 0.031 nan 8.300 nan 0.000 0.495 4 I N 2.165 122.924 120.570 0.314 0.000 2.563 4 I HA 0.236 4.406 4.170 -0.000 0.000 0.276 4 I C -0.922 175.285 176.117 0.149 0.000 1.074 4 I CA -0.574 60.831 61.300 0.175 0.000 1.124 4 I CB 1.220 39.288 38.000 0.114 0.000 1.225 4 I HN 0.320 nan 8.210 nan 0.000 0.482 5 K N 3.822 124.296 120.400 0.123 0.000 2.123 5 K HA 0.347 4.667 4.320 -0.000 0.000 0.259 5 K C -0.621 175.980 176.600 0.000 0.000 0.960 5 K CA -0.391 55.952 56.287 0.093 0.000 0.872 5 K CB 1.014 33.592 32.500 0.129 0.000 1.079 5 K HN 0.211 nan 8.250 nan 0.000 0.440 6 D N 4.421 124.832 120.400 0.018 0.000 2.411 6 D HA 0.214 4.854 4.640 -0.000 0.000 0.225 6 D C -0.242 176.056 176.300 -0.003 0.000 1.156 6 D CA -0.031 53.958 54.000 -0.019 0.000 0.874 6 D CB 0.371 41.187 40.800 0.025 0.000 1.034 6 D HN 0.350 nan 8.370 nan 0.000 0.502 7 L N 0.732 121.894 121.223 -0.100 0.000 2.299 7 L HA 0.615 4.955 4.340 -0.000 0.000 0.268 7 L C 0.591 177.652 176.870 0.319 0.000 1.012 7 L CA -0.833 54.031 54.840 0.039 0.000 0.816 7 L CB 1.462 43.491 42.059 -0.050 0.000 1.355 7 L HN 0.240 nan 8.230 nan 0.000 0.457 8 S N 0.349 116.215 115.700 0.277 0.000 2.579 8 S HA 0.850 5.320 4.470 -0.000 0.000 0.272 8 S C -1.313 173.276 174.600 -0.018 0.000 1.141 8 S CA -0.752 57.534 58.200 0.144 0.000 0.843 8 S CB 2.336 65.583 63.200 0.078 0.000 1.122 8 S HN 0.547 nan 8.310 nan 0.000 0.468 9 L N 0.873 122.017 121.223 -0.132 0.000 2.506 9 L HA 0.703 5.043 4.340 -0.000 0.000 0.257 9 L C -2.067 174.750 176.870 -0.089 0.000 0.964 9 L CA -0.446 54.307 54.840 -0.146 0.000 0.836 9 L CB 2.213 44.113 42.059 -0.265 0.000 1.384 9 L HN 0.795 nan 8.230 nan 0.000 0.410 10 N N 4.306 122.978 118.700 -0.047 0.000 2.444 10 N HA 0.596 5.336 4.740 -0.000 0.000 0.262 10 N C -1.093 174.426 175.510 0.014 0.000 0.974 10 N CA -0.085 52.963 53.050 -0.003 0.000 0.933 10 N CB 1.410 39.898 38.487 0.001 0.000 1.137 10 N HN 0.577 nan 8.380 nan 0.000 0.498 11 I N 0.514 121.122 120.570 0.063 0.000 2.460 11 I HA 0.315 4.485 4.170 -0.000 0.000 0.298 11 I C 0.351 176.554 176.117 0.142 0.000 0.989 11 I CA -0.608 60.747 61.300 0.091 0.000 1.173 11 I CB 1.763 39.822 38.000 0.099 0.000 1.338 11 I HN 0.128 nan 8.210 nan 0.000 0.456 12 T N 6.618 121.238 114.554 0.110 0.000 2.801 12 T HA 0.402 4.752 4.350 -0.000 0.000 0.306 12 T C -0.317 174.460 174.700 0.128 0.000 1.020 12 T CA -0.327 61.833 62.100 0.099 0.000 0.948 12 T CB 0.422 69.319 68.868 0.048 0.000 0.962 12 T HN 0.314 nan 8.240 nan 0.000 0.465 13 L N 4.109 125.447 121.223 0.191 0.000 2.292 13 L HA 0.427 4.767 4.340 -0.000 0.000 0.284 13 L C 0.286 177.268 176.870 0.187 0.000 1.065 13 L CA -0.821 54.132 54.840 0.187 0.000 0.806 13 L CB 0.756 42.992 42.059 0.295 0.000 1.175 13 L HN 0.680 nan 8.230 nan 0.000 0.431 14 H N 6.341 125.327 119.070 -0.141 0.000 2.629 14 H HA 0.206 4.762 4.556 -0.000 0.000 0.357 14 H C -2.043 173.268 175.328 -0.029 0.000 1.121 14 H CA -1.633 54.297 56.048 -0.196 0.000 1.406 14 H CB 1.277 30.758 29.762 -0.468 0.000 1.456 14 H HN 0.341 nan 8.280 nan 0.000 0.579 15 P HA -0.208 nan 4.420 nan 0.000 0.218 15 P C 1.652 178.653 177.300 -0.499 0.000 1.146 15 P CA 1.617 64.167 63.100 -0.918 0.000 0.813 15 P CB 0.148 31.263 31.700 -0.975 0.000 0.778 16 S N -0.547 114.631 115.700 -0.869 0.000 2.404 16 S HA -0.210 4.260 4.470 -0.000 0.000 0.230 16 S C 1.266 175.968 174.600 0.170 0.000 1.046 16 S CA 1.410 59.446 58.200 -0.275 0.000 1.135 16 S CB -1.187 61.928 63.200 -0.142 0.000 1.056 16 S HN 0.164 nan 8.310 nan 0.000 0.426 17 F N 0.463 120.416 119.950 0.006 0.000 2.708 17 F HA 0.116 4.643 4.527 -0.000 0.000 0.299 17 F C 0.266 176.119 175.800 0.089 0.000 1.289 17 F CA -0.604 57.383 58.000 -0.023 0.000 1.444 17 F CB -0.494 38.342 39.000 -0.273 0.000 1.086 17 F HN 0.138 nan 8.300 nan 0.000 0.528 18 F N 1.255 121.243 119.950 0.064 0.000 2.740 18 F HA 0.217 4.744 4.527 -0.000 0.000 0.294 18 F C 1.655 177.486 175.800 0.051 0.000 1.225 18 F CA -0.899 57.132 58.000 0.052 0.000 1.426 18 F CB -1.024 37.978 39.000 0.003 0.000 1.021 18 F HN -0.062 nan 8.300 nan 0.000 0.508 19 G N 1.474 110.378 108.800 0.172 0.000 2.441 19 G HA2 0.027 3.987 3.960 -0.000 0.000 0.258 19 G HA3 0.027 3.987 3.960 -0.000 0.000 0.258 19 G C -0.817 174.122 174.900 0.064 0.000 1.487 19 G CA -0.077 45.087 45.100 0.106 0.000 1.058 19 G HN 0.200 nan 8.290 nan 0.000 0.552 20 P HA 0.144 nan 4.420 nan 0.000 0.218 20 P C 0.508 177.817 177.300 0.014 0.000 1.151 20 P CA 0.384 63.501 63.100 0.028 0.000 0.850 20 P CB 0.655 32.371 31.700 0.026 0.000 0.801 21 R N 0.435 120.944 120.500 0.016 0.000 2.423 21 R HA 0.343 4.683 4.340 -0.000 0.000 0.293 21 R C 0.789 177.100 176.300 0.018 0.000 1.196 21 R CA -0.214 55.892 56.100 0.010 0.000 1.262 21 R CB 0.437 30.744 30.300 0.013 0.000 1.116 21 R HN 0.271 nan 8.270 nan 0.000 0.566 22 M N 1.421 121.013 119.600 -0.013 0.000 2.556 22 M HA -0.005 4.475 4.480 -0.000 0.000 0.259 22 M C 1.834 178.092 176.300 -0.070 0.000 1.175 22 M CA 1.236 56.515 55.300 -0.035 0.000 1.202 22 M CB 0.107 32.635 32.600 -0.121 0.000 1.298 22 M HN 0.305 nan 8.290 nan 0.000 0.492 23 K N 0.374 120.703 120.400 -0.118 0.000 2.077 23 K HA -0.338 3.982 4.320 -0.000 0.000 0.213 23 K C 2.000 178.549 176.600 -0.083 0.000 1.051 23 K CA 2.572 58.774 56.287 -0.142 0.000 0.929 23 K CB -0.255 32.189 32.500 -0.094 0.000 0.715 23 K HN 0.365 nan 8.250 nan 0.000 0.451 24 Q N -0.217 119.569 119.800 -0.024 0.000 2.045 24 Q HA -0.242 4.098 4.340 -0.000 0.000 0.206 24 Q C 1.926 177.914 176.000 -0.021 0.000 0.991 24 Q CA 2.217 58.023 55.803 0.005 0.000 0.851 24 Q CB -0.624 28.124 28.738 0.017 0.000 0.911 24 Q HN 0.539 nan 8.270 nan 0.000 0.418 25 Y N -0.034 120.215 120.300 -0.084 0.000 2.145 25 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 25 Y C 1.807 177.657 175.900 -0.082 0.000 1.145 25 Y CA 1.747 59.795 58.100 -0.087 0.000 1.148 25 Y CB -0.130 38.270 38.460 -0.099 0.000 0.981 25 Y HN 0.149 nan 8.280 nan 0.000 0.507 26 L N 0.224 121.514 121.223 0.112 0.000 1.941 26 L HA -0.374 3.966 4.340 -0.000 0.000 0.224 26 L C 2.467 179.264 176.870 -0.123 0.000 1.081 26 L CA 2.203 57.033 54.840 -0.017 0.000 0.784 26 L CB -0.849 41.068 42.059 -0.237 0.000 0.894 26 L HN 0.222 nan 8.230 nan 0.000 0.436 27 K N -0.640 119.649 120.400 -0.186 0.000 2.044 27 K HA -0.283 4.037 4.320 -0.000 0.000 0.224 27 K C 1.896 178.367 176.600 -0.215 0.000 1.056 27 K CA 2.587 58.716 56.287 -0.263 0.000 0.962 27 K CB -0.775 31.515 32.500 -0.350 0.000 0.730 27 K HN 0.372 nan 8.250 nan 0.000 0.453 28 T N 0.947 115.391 114.554 -0.182 0.000 2.624 28 T HA -0.271 4.079 4.350 -0.000 0.000 0.266 28 T C 1.872 176.440 174.700 -0.220 0.000 1.050 28 T CA 2.172 64.149 62.100 -0.205 0.000 1.163 28 T CB -0.227 68.405 68.868 -0.392 0.000 0.861 28 T HN 0.311 nan 8.240 nan 0.000 0.443 29 K N 0.155 120.407 120.400 -0.247 0.000 2.103 29 K HA 0.010 4.330 4.320 -0.000 0.000 0.204 29 K C 2.208 178.754 176.600 -0.090 0.000 1.052 29 K CA 0.614 56.829 56.287 -0.119 0.000 0.945 29 K CB -0.321 32.210 32.500 0.051 0.000 0.722 29 K HN 0.170 nan 8.250 nan 0.000 0.443 30 L N 1.598 122.743 121.223 -0.131 0.000 1.997 30 L HA -0.247 4.093 4.340 -0.000 0.000 0.216 30 L C 1.765 178.552 176.870 -0.137 0.000 1.074 30 L CA 1.855 56.586 54.840 -0.183 0.000 0.763 30 L CB -0.554 41.344 42.059 -0.267 0.000 0.890 30 L HN 0.219 nan 8.230 nan 0.000 0.434 31 L N -0.864 120.296 121.223 -0.105 0.000 2.079 31 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 31 L C 2.512 179.366 176.870 -0.027 0.000 1.081 31 L CA 1.672 56.489 54.840 -0.039 0.000 0.752 31 L CB -0.950 41.103 42.059 -0.009 0.000 0.896 31 L HN 0.422 nan 8.230 nan 0.000 0.433 32 E N 0.415 120.589 120.200 -0.044 0.000 2.110 32 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 32 E C 1.150 177.738 176.600 -0.019 0.000 0.988 32 E CA 1.039 57.423 56.400 -0.026 0.000 0.804 32 E CB 0.011 29.695 29.700 -0.027 0.000 0.745 32 E HN 0.518 nan 8.360 nan 0.000 0.458 33 E N -0.080 120.102 120.200 -0.031 0.000 2.423 33 E HA 0.075 4.424 4.350 -0.000 0.000 0.198 33 E C 0.192 176.769 176.600 -0.038 0.000 1.038 33 E CA -0.289 56.092 56.400 -0.032 0.000 1.011 33 E CB 0.837 30.517 29.700 -0.034 0.000 1.118 33 E HN -0.011 nan 8.360 nan 0.000 0.451 34 V N -0.661 119.243 119.914 -0.016 0.000 4.397 34 V HA -0.030 4.090 4.120 -0.000 0.000 0.158 34 V C 0.017 176.136 176.094 0.042 0.000 1.309 34 V CA -0.301 62.011 62.300 0.020 0.000 1.184 34 V CB 0.337 32.202 31.823 0.069 0.000 1.330 34 V HN 0.114 nan 8.190 nan 0.000 0.607 35 E N 1.823 122.057 120.200 0.056 0.000 2.603 35 E HA 0.309 4.659 4.350 -0.000 0.000 0.242 35 E C 0.998 177.619 176.600 0.036 0.000 1.083 35 E CA 1.057 57.493 56.400 0.060 0.000 0.950 35 E CB -0.089 29.650 29.700 0.065 0.000 0.952 35 E HN 0.793 nan 8.360 nan 0.000 0.498 36 G N 2.823 111.644 108.800 0.034 0.000 2.184 36 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.206 36 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.206 36 G C 0.465 175.335 174.900 -0.049 0.000 0.995 36 G CA 0.144 45.250 45.100 0.009 0.000 0.651 36 G HN 0.632 nan 8.290 nan 0.000 0.511 37 S N -1.290 114.382 115.700 -0.047 0.000 2.641 37 S HA 0.711 5.181 4.470 -0.000 0.000 0.261 37 S C 0.251 174.747 174.600 -0.172 0.000 1.257 37 S CA 0.055 58.203 58.200 -0.087 0.000 0.983 37 S CB 2.086 65.256 63.200 -0.050 0.000 0.990 37 S HN 1.549 nan 8.310 nan 0.000 0.572 38 C N 0.298 119.489 119.300 -0.180 0.000 3.006 38 C HA 0.782 5.242 4.460 -0.000 0.000 0.359 38 C C -0.578 174.345 174.990 -0.112 0.000 1.103 38 C CA -0.053 58.811 59.018 -0.256 0.000 1.286 38 C CB 0.836 28.282 27.740 -0.490 0.000 1.694 38 C HN 1.123 nan 8.230 nan 0.000 0.511 39 T N 2.351 116.878 114.554 -0.044 0.000 2.841 39 T HA 0.505 4.855 4.350 -0.000 0.000 0.296 39 T C 0.850 175.539 174.700 -0.018 0.000 1.166 39 T CA 0.155 62.273 62.100 0.031 0.000 1.007 39 T CB 1.587 70.589 68.868 0.223 0.000 1.253 39 T HN 0.884 nan 8.240 nan 0.000 0.511 40 G N -0.109 108.671 108.800 -0.035 0.000 2.539 40 G HA2 0.029 3.989 3.960 -0.000 0.000 0.215 40 G HA3 0.029 3.989 3.960 -0.000 0.000 0.215 40 G C 0.912 175.696 174.900 -0.194 0.000 1.141 40 G CA 0.073 45.108 45.100 -0.108 0.000 0.806 40 G HN 0.573 nan 8.290 nan 0.000 0.533 41 K N -0.649 119.630 120.400 -0.203 0.000 2.387 41 K HA 0.327 4.647 4.320 -0.000 0.000 0.198 41 K C 0.227 176.183 176.600 -1.072 0.000 1.022 41 K CA 0.015 55.976 56.287 -0.544 0.000 1.128 41 K CB 0.227 32.407 32.500 -0.533 0.000 0.853 41 K HN 0.399 nan 8.250 nan 0.000 0.523 42 F N -1.250 118.619 119.950 -0.136 0.000 2.897 42 F HA 0.163 4.690 4.527 -0.000 0.000 0.377 42 F C 1.206 176.918 175.800 -0.147 0.000 0.917 42 F CA 0.026 57.946 58.000 -0.132 0.000 1.079 42 F CB 0.742 39.697 39.000 -0.074 0.000 1.068 42 F HN 0.095 nan 8.300 nan 0.000 0.581 43 G N 0.693 109.492 108.800 -0.000 0.000 2.527 43 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.268 43 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.268 43 G C -0.908 174.052 174.900 0.100 0.000 1.175 43 G CA -0.322 44.770 45.100 -0.012 0.000 0.962 43 G HN 0.064 nan 8.290 nan 0.000 0.560 44 Y N 0.819 121.066 120.300 -0.088 0.000 2.436 44 Y HA 0.506 5.056 4.550 -0.000 0.000 0.343 44 Y C 1.150 177.074 175.900 0.041 0.000 1.008 44 Y CA -0.772 57.336 58.100 0.014 0.000 1.241 44 Y CB 0.723 39.252 38.460 0.116 0.000 1.153 44 Y HN 0.331 nan 8.280 nan 0.000 0.521 45 I N 5.972 126.615 120.570 0.123 0.000 2.352 45 I HA 0.046 4.216 4.170 -0.000 0.000 0.290 45 I C 0.613 176.799 176.117 0.115 0.000 1.036 45 I CA 0.356 61.715 61.300 0.098 0.000 1.336 45 I CB 1.031 39.065 38.000 0.058 0.000 1.407 45 I HN 0.784 nan 8.210 nan 0.000 0.497 46 L N 5.816 127.114 121.223 0.124 0.000 2.445 46 L HA 0.242 4.582 4.340 -0.000 0.000 0.207 46 L C 0.488 177.422 176.870 0.107 0.000 1.053 46 L CA 0.554 55.469 54.840 0.126 0.000 0.841 46 L CB 0.526 42.668 42.059 0.138 0.000 1.074 46 L HN 0.573 nan 8.230 nan 0.000 0.479 47 C N 0.232 119.593 119.300 0.102 0.000 3.006 47 C HA 0.521 4.981 4.460 -0.000 0.000 0.359 47 C C -0.596 174.443 174.990 0.083 0.000 1.103 47 C CA -0.885 58.191 59.018 0.097 0.000 1.286 47 C CB 1.204 29.003 27.740 0.098 0.000 1.694 47 C HN -0.001 nan 8.230 nan 0.000 0.511 48 V N 7.251 127.227 119.914 0.104 0.000 2.427 48 V HA 0.274 4.394 4.120 -0.000 0.000 0.268 48 V C 0.576 176.727 176.094 0.095 0.000 1.046 48 V CA -0.013 62.351 62.300 0.107 0.000 0.970 48 V CB 0.333 32.258 31.823 0.169 0.000 1.001 48 V HN 0.724 nan 8.190 nan 0.000 0.476 49 L N 2.879 124.135 121.223 0.056 0.000 2.468 49 L HA 0.427 4.767 4.340 -0.000 0.000 0.254 49 L C 1.096 178.014 176.870 0.079 0.000 1.171 49 L CA -0.538 54.342 54.840 0.066 0.000 0.809 49 L CB 0.087 42.172 42.059 0.042 0.000 1.155 49 L HN 0.654 nan 8.230 nan 0.000 0.473 50 D N 0.075 120.527 120.400 0.087 0.000 2.704 50 D HA -0.300 4.340 4.640 -0.000 0.000 0.232 50 D C 0.876 177.257 176.300 0.135 0.000 1.183 50 D CA 0.736 54.793 54.000 0.094 0.000 0.647 50 D CB -0.481 40.356 40.800 0.063 0.000 1.013 50 D HN 0.680 nan 8.370 nan 0.000 0.415 51 Y N 0.100 120.417 120.300 0.029 0.000 2.173 51 Y HA -0.316 4.234 4.550 -0.000 0.000 0.282 51 Y C 1.986 177.894 175.900 0.014 0.000 1.192 51 Y CA 2.367 60.482 58.100 0.024 0.000 1.176 51 Y CB 0.101 38.568 38.460 0.012 0.000 0.969 51 Y HN 0.216 nan 8.280 nan 0.000 0.519 52 D N 0.084 120.683 120.400 0.333 0.000 2.103 52 D HA -0.166 4.474 4.640 -0.000 0.000 0.199 52 D C 0.645 177.004 176.300 0.098 0.000 0.978 52 D CA 1.191 55.332 54.000 0.234 0.000 0.829 52 D CB -0.352 40.538 40.800 0.150 0.000 0.981 52 D HN 0.549 nan 8.370 nan 0.000 0.464 53 N N 0.360 119.099 118.700 0.066 0.000 2.416 53 N HA 0.096 4.836 4.740 -0.000 0.000 0.215 53 N C -0.133 175.386 175.510 0.015 0.000 1.208 53 N CA -0.344 52.727 53.050 0.035 0.000 0.834 53 N CB 0.481 38.990 38.487 0.036 0.000 1.072 53 N HN 0.226 nan 8.380 nan 0.000 0.472 54 I N 0.973 121.533 120.570 -0.016 0.000 2.581 54 I HA -0.072 4.098 4.170 -0.000 0.000 0.285 54 I C 0.650 176.745 176.117 -0.038 0.000 1.129 54 I CA 0.198 61.473 61.300 -0.041 0.000 1.397 54 I CB 0.123 38.041 38.000 -0.136 0.000 1.399 54 I HN 0.059 nan 8.210 nan 0.000 0.537 55 D N 7.145 127.541 120.400 -0.008 0.000 2.383 55 D HA 0.163 4.803 4.640 -0.000 0.000 0.252 55 D C 0.732 177.019 176.300 -0.022 0.000 1.166 55 D CA 0.274 54.272 54.000 -0.004 0.000 0.879 55 D CB 1.197 42.010 40.800 0.021 0.000 1.164 55 D HN 0.417 nan 8.370 nan 0.000 0.462 56 I N 1.859 122.413 120.570 -0.027 0.000 4.032 56 I HA -0.010 4.159 4.170 -0.000 0.000 0.313 56 I C 0.802 176.955 176.117 0.060 0.000 1.272 56 I CA -0.124 61.155 61.300 -0.035 0.000 1.307 56 I CB 0.044 37.964 38.000 -0.132 0.000 1.155 56 I HN 0.428 nan 8.210 nan 0.000 0.431 57 Q N 0.997 120.830 119.800 0.054 0.000 0.611 57 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 57 Q C -0.187 175.898 176.000 0.142 0.000 1.113 57 Q CA 0.571 56.422 55.803 0.079 0.000 0.197 57 Q CB -0.368 28.415 28.738 0.075 0.000 5.589 57 Q HN 0.363 nan 8.270 nan 0.000 0.297 58 R N 0.061 120.629 120.500 0.112 0.000 2.389 58 R HA 0.399 4.739 4.340 -0.000 0.000 0.295 58 R C 0.343 176.705 176.300 0.103 0.000 1.075 58 R CA 0.550 56.726 56.100 0.126 0.000 1.005 58 R CB 0.718 31.051 30.300 0.055 0.000 0.987 58 R HN 0.518 nan 8.270 nan 0.000 0.452 59 G N 1.881 110.710 108.800 0.050 0.000 2.400 59 G HA2 0.348 4.308 3.960 -0.000 0.000 0.301 59 G HA3 0.348 4.308 3.960 -0.000 0.000 0.301 59 G C -0.741 173.869 174.900 -0.482 0.000 1.154 59 G CA -0.778 43.932 45.100 -0.650 0.000 0.852 59 G HN 0.629 nan 8.290 nan 0.000 0.511 60 R N 1.238 121.509 120.500 -0.382 0.000 2.532 60 R HA 0.565 4.905 4.340 -0.000 0.000 0.295 60 R C -0.460 175.725 176.300 -0.192 0.000 0.968 60 R CA -0.860 55.114 56.100 -0.208 0.000 0.916 60 R CB 1.325 31.553 30.300 -0.120 0.000 1.124 60 R HN 0.345 nan 8.270 nan 0.000 0.463 61 I N 4.607 125.119 120.570 -0.096 0.000 2.533 61 I HA 0.028 4.198 4.170 -0.000 0.000 0.284 61 I C 0.909 176.997 176.117 -0.049 0.000 1.109 61 I CA -0.297 60.978 61.300 -0.041 0.000 1.412 61 I CB 0.470 38.466 38.000 -0.007 0.000 1.396 61 I HN 0.497 nan 8.210 nan 0.000 0.543 62 L N 8.004 129.202 121.223 -0.042 0.000 2.420 62 L HA 0.180 4.520 4.340 -0.000 0.000 0.198 62 L C -1.722 175.127 176.870 -0.035 0.000 1.165 62 L CA -0.756 54.062 54.840 -0.037 0.000 0.863 62 L CB -0.054 41.988 42.059 -0.028 0.000 1.371 62 L HN 0.530 nan 8.230 nan 0.000 0.536 63 P HA 0.269 nan 4.420 nan 0.000 0.333 63 P C -0.381 176.901 177.300 -0.030 0.000 1.674 63 P CA -0.106 62.976 63.100 -0.031 0.000 1.389 63 P CB 1.321 33.005 31.700 -0.027 0.000 2.003 64 T N -1.718 112.817 114.554 -0.031 0.000 3.172 64 T HA 0.113 4.463 4.350 -0.000 0.000 0.261 64 T C -0.426 174.255 174.700 -0.032 0.000 0.854 64 T CA 0.092 62.175 62.100 -0.029 0.000 0.848 64 T CB 0.628 69.481 68.868 -0.025 0.000 1.267 64 T HN 0.271 nan 8.240 nan 0.000 0.581 65 D N 0.040 120.420 120.400 -0.033 0.000 2.857 65 D HA 0.354 4.994 4.640 -0.000 0.000 0.227 65 D C 0.809 177.078 176.300 -0.051 0.000 1.192 65 D CA -0.623 53.358 54.000 -0.032 0.000 0.857 65 D CB 1.506 42.300 40.800 -0.011 0.000 1.645 65 D HN 0.068 nan 8.370 nan 0.000 0.482 66 G N 0.750 109.490 108.800 -0.100 0.000 2.653 66 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.212 66 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.212 66 G C 0.496 175.323 174.900 -0.122 0.000 1.138 66 G CA 0.008 45.001 45.100 -0.178 0.000 0.782 66 G HN 0.457 nan 8.290 nan 0.000 0.535 67 S N 0.326 116.018 115.700 -0.015 0.000 2.573 67 S HA 0.379 4.849 4.470 -0.000 0.000 0.297 67 S C 0.641 175.301 174.600 0.100 0.000 1.280 67 S CA 0.184 58.437 58.200 0.088 0.000 1.061 67 S CB 0.960 64.203 63.200 0.071 0.000 0.812 67 S HN 0.620 nan 8.310 nan 0.000 0.500 68 A N 2.464 125.399 122.820 0.191 0.000 2.294 68 A HA 0.663 4.983 4.320 -0.000 0.000 0.330 68 A C -0.050 177.405 177.584 -0.215 0.000 1.133 68 A CA -0.703 51.297 52.037 -0.063 0.000 0.836 68 A CB 0.815 19.697 19.000 -0.197 0.000 1.190 68 A HN 0.801 nan 8.150 nan 0.000 0.492 69 E N 1.180 121.149 120.200 -0.385 0.000 2.279 69 E HA 0.528 4.877 4.350 -0.000 0.000 0.252 69 E C -1.831 174.582 176.600 -0.312 0.000 0.894 69 E CA -0.308 55.958 56.400 -0.223 0.000 0.785 69 E CB 0.613 30.254 29.700 -0.099 0.000 1.237 69 E HN 0.456 nan 8.360 nan 0.000 0.418 70 F N 2.276 122.210 119.950 -0.027 0.000 2.422 70 F HA 0.336 4.863 4.527 -0.000 0.000 0.333 70 F C 0.907 176.682 175.800 -0.042 0.000 1.095 70 F CA -1.161 56.817 58.000 -0.038 0.000 1.038 70 F CB 0.892 39.860 39.000 -0.053 0.000 1.156 70 F HN 0.336 nan 8.300 nan 0.000 0.483 71 N N 2.255 121.041 118.700 0.142 0.000 2.918 71 N HA 0.125 4.865 4.740 -0.000 0.000 0.247 71 N C -1.087 174.447 175.510 0.039 0.000 1.117 71 N CA -0.073 53.014 53.050 0.061 0.000 1.005 71 N CB 0.360 38.871 38.487 0.039 0.000 1.297 71 N HN 0.377 nan 8.380 nan 0.000 0.513 72 V N 3.169 123.081 119.914 -0.004 0.000 2.420 72 V HA -0.058 4.062 4.120 -0.000 0.000 0.274 72 V C 0.800 176.850 176.094 -0.075 0.000 1.003 72 V CA -0.029 62.227 62.300 -0.073 0.000 1.092 72 V CB -0.305 31.415 31.823 -0.171 0.000 1.002 72 V HN 0.415 nan 8.190 nan 0.000 0.473 73 K N 7.290 127.694 120.400 0.007 0.000 2.234 73 K HA 0.495 4.815 4.320 -0.000 0.000 0.282 73 K C -0.595 176.115 176.600 0.184 0.000 1.039 73 K CA -0.259 56.086 56.287 0.096 0.000 0.928 73 K CB 0.545 33.092 32.500 0.078 0.000 1.039 73 K HN 0.662 nan 8.250 nan 0.000 0.470 74 Y N 0.227 120.507 120.300 -0.032 0.000 2.896 74 Y HA 0.651 5.201 4.550 -0.000 0.000 0.317 74 Y C -1.103 174.791 175.900 -0.011 0.000 1.444 74 Y CA -1.708 56.371 58.100 -0.035 0.000 1.084 74 Y CB 1.390 39.814 38.460 -0.059 0.000 1.382 74 Y HN 0.477 nan 8.280 nan 0.000 0.471 75 R N 1.605 121.999 120.500 -0.176 0.000 2.584 75 R HA 0.823 5.163 4.340 -0.000 0.000 0.276 75 R C -1.985 174.141 176.300 -0.290 0.000 1.046 75 R CA -0.377 55.560 56.100 -0.272 0.000 0.906 75 R CB 2.342 32.596 30.300 -0.076 0.000 1.215 75 R HN 1.143 nan 8.270 nan 0.000 0.449 76 A N 2.496 125.143 122.820 -0.289 0.000 2.515 76 A HA 0.559 4.879 4.320 -0.000 0.000 0.299 76 A C -1.640 175.928 177.584 -0.026 0.000 1.179 76 A CA -0.568 51.382 52.037 -0.145 0.000 0.656 76 A CB 1.722 20.604 19.000 -0.196 0.000 1.306 76 A HN 0.356 nan 8.150 nan 0.000 0.459 77 V N 1.365 121.308 119.914 0.048 0.000 2.364 77 V HA 0.504 4.624 4.120 -0.000 0.000 0.272 77 V C -0.162 176.018 176.094 0.143 0.000 1.036 77 V CA -0.117 62.263 62.300 0.133 0.000 0.880 77 V CB 0.879 32.808 31.823 0.176 0.000 0.991 77 V HN 0.779 nan 8.190 nan 0.000 0.460 78 V N 4.062 124.085 119.914 0.182 0.000 3.177 78 V HA 0.707 4.827 4.120 -0.000 0.000 0.319 78 V C -0.687 175.524 176.094 0.195 0.000 1.125 78 V CA -1.027 61.373 62.300 0.167 0.000 1.029 78 V CB 2.003 33.908 31.823 0.138 0.000 1.119 78 V HN 0.701 nan 8.190 nan 0.000 0.452 79 F N 2.306 122.205 119.950 -0.086 0.000 2.881 79 F HA 0.607 5.134 4.527 -0.000 0.000 0.348 79 F C -1.163 174.549 175.800 -0.146 0.000 1.240 79 F CA -0.950 56.911 58.000 -0.232 0.000 1.130 79 F CB 1.435 39.924 39.000 -0.852 0.000 1.417 79 F HN 0.553 nan 8.300 nan 0.000 0.585 80 K N 7.335 127.306 120.400 -0.715 0.000 2.616 80 K HA 0.488 4.808 4.320 -0.000 0.000 0.241 80 K C -3.361 172.740 176.600 -0.832 0.000 0.961 80 K CA -1.850 53.922 56.287 -0.859 0.000 0.942 80 K CB 1.848 33.953 32.500 -0.658 0.000 1.153 80 K HN 0.359 nan 8.250 nan 0.000 0.452 81 P HA 0.054 nan 4.420 nan 0.000 0.270 81 P C -0.841 176.268 177.300 -0.318 0.000 1.216 81 P CA 0.090 63.017 63.100 -0.288 0.000 0.788 81 P CB 0.349 31.924 31.700 -0.209 0.000 0.883 82 F N -1.276 118.646 119.950 -0.046 0.000 2.675 82 F HA 0.418 4.945 4.527 -0.000 0.000 0.324 82 F C 0.775 176.574 175.800 -0.001 0.000 1.106 82 F CA -1.007 56.977 58.000 -0.027 0.000 0.970 82 F CB 1.216 40.216 39.000 0.001 0.000 1.385 82 F HN 0.024 nan 8.300 nan 0.000 0.489 83 K N 0.349 120.884 120.400 0.226 0.000 2.249 83 K HA 0.495 4.815 4.320 -0.000 0.000 0.280 83 K C 0.651 177.324 176.600 0.123 0.000 1.033 83 K CA 0.321 56.685 56.287 0.127 0.000 0.946 83 K CB 0.781 33.333 32.500 0.087 0.000 1.005 83 K HN 0.891 nan 8.250 nan 0.000 0.469 84 G N 1.523 110.376 108.800 0.089 0.000 2.199 84 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.254 84 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.254 84 G C 0.061 175.001 174.900 0.066 0.000 0.982 84 G CA 0.188 45.327 45.100 0.065 0.000 0.632 84 G HN 0.673 nan 8.290 nan 0.000 0.529 85 E N 0.468 120.731 120.200 0.105 0.000 2.313 85 E HA 0.479 4.829 4.350 -0.000 0.000 0.276 85 E C -0.161 176.501 176.600 0.104 0.000 1.031 85 E CA -0.491 55.973 56.400 0.107 0.000 0.857 85 E CB 1.056 30.872 29.700 0.193 0.000 1.040 85 E HN 0.125 nan 8.360 nan 0.000 0.408 86 V N 5.366 125.330 119.914 0.083 0.000 2.435 86 V HA 0.402 4.522 4.120 -0.000 0.000 0.290 86 V C -0.075 176.074 176.094 0.093 0.000 1.030 86 V CA -0.456 61.892 62.300 0.080 0.000 0.881 86 V CB 1.170 33.026 31.823 0.055 0.000 0.983 86 V HN 0.570 nan 8.190 nan 0.000 0.445 87 V N 1.312 121.286 119.914 0.100 0.000 3.178 87 V HA 0.838 4.958 4.120 -0.000 0.000 0.302 87 V C -1.803 174.340 176.094 0.081 0.000 1.262 87 V CA -1.056 61.306 62.300 0.102 0.000 1.030 87 V CB 2.564 34.479 31.823 0.154 0.000 1.074 87 V HN 0.792 nan 8.190 nan 0.000 0.438 88 D N 0.622 121.057 120.400 0.059 0.000 2.481 88 D HA 0.860 5.500 4.640 -0.000 0.000 0.244 88 D C 0.114 176.430 176.300 0.027 0.000 1.057 88 D CA -0.117 53.906 54.000 0.038 0.000 0.848 88 D CB 1.859 42.671 40.800 0.020 0.000 1.388 88 D HN 1.174 nan 8.370 nan 0.000 0.475 89 G N -0.479 108.333 108.800 0.019 0.000 2.749 89 G HA2 0.585 4.545 3.960 -0.000 0.000 0.300 89 G HA3 0.585 4.545 3.960 -0.000 0.000 0.300 89 G C -1.216 173.676 174.900 -0.013 0.000 1.352 89 G CA -0.862 44.244 45.100 0.010 0.000 0.789 89 G HN 0.403 nan 8.290 nan 0.000 0.509 90 T N 0.717 115.265 114.554 -0.010 0.000 2.795 90 T HA 0.506 4.856 4.350 -0.000 0.000 0.282 90 T C 0.503 175.189 174.700 -0.023 0.000 0.980 90 T CA -0.262 61.822 62.100 -0.027 0.000 1.012 90 T CB 1.598 70.457 68.868 -0.016 0.000 0.936 90 T HN 0.430 nan 8.240 nan 0.000 0.457 91 V N 3.805 123.676 119.914 -0.072 0.000 2.999 91 V HA 0.089 4.209 4.120 -0.000 0.000 0.307 91 V C 1.018 177.119 176.094 0.012 0.000 1.084 91 V CA 0.217 62.481 62.300 -0.061 0.000 1.155 91 V CB 0.888 32.604 31.823 -0.179 0.000 0.975 91 V HN 0.832 nan 8.190 nan 0.000 0.490 92 V N 1.378 121.331 119.914 0.065 0.000 3.134 92 V HA 0.152 4.272 4.120 -0.000 0.000 0.222 92 V C 0.646 176.793 176.094 0.087 0.000 1.247 92 V CA 0.862 63.204 62.300 0.070 0.000 1.281 92 V CB 0.820 32.689 31.823 0.077 0.000 1.169 92 V HN 0.887 nan 8.190 nan 0.000 0.512 93 S N -0.400 115.371 115.700 0.119 0.000 2.549 93 S HA 0.663 5.133 4.470 -0.000 0.000 0.297 93 S C -0.812 173.909 174.600 0.202 0.000 1.115 93 S CA -0.579 57.694 58.200 0.123 0.000 1.059 93 S CB 1.844 65.087 63.200 0.072 0.000 1.046 93 S HN 0.510 nan 8.310 nan 0.000 0.506 94 C N 3.092 122.518 119.300 0.209 0.000 2.705 94 C HA 0.778 5.238 4.460 -0.000 0.000 0.369 94 C C 0.179 175.329 174.990 0.267 0.000 1.069 94 C CA 0.131 59.334 59.018 0.309 0.000 1.260 94 C CB 0.192 28.155 27.740 0.372 0.000 1.764 94 C HN 1.222 nan 8.230 nan 0.000 0.469 95 S N 4.120 119.943 115.700 0.205 0.000 2.786 95 S HA 0.488 4.958 4.470 -0.000 0.000 0.302 95 S C 0.511 174.902 174.600 -0.347 0.000 1.080 95 S CA -0.439 57.789 58.200 0.046 0.000 0.925 95 S CB 0.903 64.109 63.200 0.009 0.000 1.325 95 S HN 0.828 nan 8.310 nan 0.000 0.576 96 Q N -0.548 118.984 119.800 -0.447 0.000 2.365 96 Q HA 0.266 4.606 4.340 -0.000 0.000 0.203 96 Q C 0.477 176.326 176.000 -0.253 0.000 0.929 96 Q CA 0.478 55.740 55.803 -0.901 0.000 0.948 96 Q CB -0.419 28.204 28.738 -0.190 0.000 1.043 96 Q HN 0.755 nan 8.270 nan 0.000 0.505 97 H N -0.398 118.556 119.070 -0.193 0.000 3.058 97 H HA 0.388 4.944 4.556 -0.000 0.000 0.266 97 H C 0.444 175.791 175.328 0.032 0.000 1.135 97 H CA 0.019 56.052 56.048 -0.026 0.000 1.174 97 H CB 1.478 31.287 29.762 0.078 0.000 1.581 97 H HN 0.353 nan 8.280 nan 0.000 0.553 98 G N 1.345 110.218 108.800 0.123 0.000 2.347 98 G HA2 0.017 3.977 3.960 -0.000 0.000 0.341 98 G HA3 0.017 3.977 3.960 -0.000 0.000 0.341 98 G C -1.473 173.460 174.900 0.054 0.000 1.287 98 G CA -0.684 44.289 45.100 -0.213 0.000 0.984 98 G HN 0.140 nan 8.290 nan 0.000 0.526 99 F N -0.878 119.047 119.950 -0.042 0.000 2.575 99 F HA 0.923 5.450 4.527 -0.000 0.000 0.330 99 F C -0.216 175.741 175.800 0.262 0.000 1.056 99 F CA -2.094 55.978 58.000 0.119 0.000 0.964 99 F CB 2.031 41.009 39.000 -0.038 0.000 1.258 99 F HN 0.672 nan 8.300 nan 0.000 0.484 100 E N 1.660 122.250 120.200 0.650 0.000 2.155 100 E HA 0.569 4.919 4.350 -0.000 0.000 0.264 100 E C -1.722 175.088 176.600 0.351 0.000 0.886 100 E CA -0.772 55.950 56.400 0.536 0.000 0.752 100 E CB 1.814 31.723 29.700 0.348 0.000 1.133 100 E HN 0.662 nan 8.360 nan 0.000 0.414 101 V N 4.267 124.374 119.914 0.321 0.000 2.567 101 V HA 0.172 4.292 4.120 -0.000 0.000 0.289 101 V C -0.013 176.165 176.094 0.140 0.000 1.049 101 V CA -0.413 61.986 62.300 0.165 0.000 0.969 101 V CB 1.591 33.502 31.823 0.148 0.000 0.995 101 V HN 0.728 nan 8.190 nan 0.000 0.471 102 Q N 3.125 122.977 119.800 0.086 0.000 2.506 102 Q HA 0.381 4.721 4.340 -0.000 0.000 0.242 102 Q C -1.257 174.773 176.000 0.049 0.000 1.060 102 Q CA -0.408 55.441 55.803 0.076 0.000 0.826 102 Q CB 1.378 30.153 28.738 0.062 0.000 1.169 102 Q HN 0.643 nan 8.270 nan 0.000 0.521 103 V N 4.854 124.806 119.914 0.065 0.000 2.326 103 V HA 0.331 4.451 4.120 -0.000 0.000 0.249 103 V C 1.082 177.155 176.094 -0.036 0.000 1.114 103 V CA 0.774 63.103 62.300 0.049 0.000 1.028 103 V CB -0.462 31.435 31.823 0.124 0.000 1.170 103 V HN 1.032 nan 8.190 nan 0.000 0.494 104 G N 7.342 116.095 108.800 -0.080 0.000 2.550 104 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.277 104 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.277 104 G C -0.810 174.005 174.900 -0.142 0.000 1.190 104 G CA 0.194 45.191 45.100 -0.172 0.000 0.971 104 G HN 0.567 nan 8.290 nan 0.000 0.559 105 P HA 0.070 nan 4.420 nan 0.000 0.237 105 P C 0.905 178.135 177.300 -0.116 0.000 1.178 105 P CA 1.491 64.536 63.100 -0.090 0.000 0.766 105 P CB 0.100 31.772 31.700 -0.046 0.000 0.876 106 M N -0.152 119.353 119.600 -0.158 0.000 2.654 106 M HA 0.417 4.897 4.480 -0.000 0.000 0.310 106 M C -1.050 175.277 176.300 0.045 0.000 1.211 106 M CA -0.657 54.590 55.300 -0.089 0.000 0.947 106 M CB 2.326 34.874 32.600 -0.088 0.000 1.647 106 M HN -0.398 nan 8.290 nan 0.000 0.481 107 K N 2.732 123.187 120.400 0.092 0.000 2.483 107 K HA 0.495 4.815 4.320 -0.000 0.000 0.256 107 K C -1.621 175.116 176.600 0.228 0.000 0.961 107 K CA -0.625 55.767 56.287 0.175 0.000 0.873 107 K CB 2.061 34.698 32.500 0.228 0.000 1.107 107 K HN 0.534 nan 8.250 nan 0.000 0.432 108 V N 4.277 124.317 119.914 0.209 0.000 2.439 108 V HA 0.329 4.449 4.120 -0.000 0.000 0.282 108 V C -0.452 175.815 176.094 0.290 0.000 1.039 108 V CA -0.743 61.689 62.300 0.220 0.000 0.913 108 V CB 0.667 32.590 31.823 0.166 0.000 0.983 108 V HN 0.527 nan 8.190 nan 0.000 0.460 109 F N 5.580 125.586 119.950 0.094 0.000 2.436 109 F HA 0.697 5.224 4.527 -0.000 0.000 0.340 109 F C -0.307 175.475 175.800 -0.030 0.000 1.113 109 F CA -0.912 57.116 58.000 0.046 0.000 1.022 109 F CB 1.606 40.619 39.000 0.021 0.000 1.128 109 F HN 0.239 nan 8.300 nan 0.000 0.466 110 V N 5.268 124.657 119.914 -0.875 0.000 2.384 110 V HA 0.301 4.421 4.120 -0.000 0.000 0.287 110 V C 0.019 175.268 176.094 -1.408 0.000 1.020 110 V CA -0.712 60.996 62.300 -0.988 0.000 0.850 110 V CB 1.407 32.715 31.823 -0.857 0.000 0.987 110 V HN 0.845 nan 8.190 nan 0.000 0.436 111 T N 4.441 118.408 114.554 -0.978 0.000 2.901 111 T HA 0.089 4.439 4.350 -0.000 0.000 0.301 111 T C 1.244 175.646 174.700 -0.498 0.000 1.012 111 T CA -0.203 61.501 62.100 -0.659 0.000 1.135 111 T CB 1.085 69.766 68.868 -0.312 0.000 0.936 111 T HN 0.827 nan 8.240 nan 0.000 0.539 112 K N 2.110 122.270 120.400 -0.399 0.000 2.089 112 K HA -0.220 4.100 4.320 -0.000 0.000 0.210 112 K C 1.299 177.668 176.600 -0.386 0.000 1.048 112 K CA 1.861 57.929 56.287 -0.365 0.000 0.926 112 K CB -0.188 32.085 32.500 -0.378 0.000 0.714 112 K HN 0.628 nan 8.250 nan 0.000 0.448 113 H N -0.773 118.227 119.070 -0.117 0.000 2.567 113 H HA 0.165 4.721 4.556 -0.000 0.000 0.294 113 H C 0.310 175.577 175.328 -0.102 0.000 1.050 113 H CA 0.244 56.241 56.048 -0.083 0.000 1.168 113 H CB 0.427 30.151 29.762 -0.063 0.000 1.422 113 H HN 0.125 nan 8.280 nan 0.000 0.562 114 L N 0.020 121.184 121.223 -0.099 0.000 2.858 114 L HA 0.248 4.588 4.340 -0.000 0.000 0.251 114 L C 0.424 177.215 176.870 -0.132 0.000 1.149 114 L CA 0.202 54.974 54.840 -0.113 0.000 0.955 114 L CB 0.223 42.176 42.059 -0.176 0.000 1.289 114 L HN -0.000 nan 8.230 nan 0.000 0.542 115 M N -0.381 119.134 119.600 -0.142 0.000 2.544 115 M HA 0.538 5.018 4.480 -0.000 0.000 0.239 115 M C -2.079 174.204 176.300 -0.029 0.000 1.030 115 M CA -1.718 53.517 55.300 -0.109 0.000 1.193 115 M CB -0.231 32.272 32.600 -0.162 0.000 1.346 115 M HN -0.258 nan 8.290 nan 0.000 0.651 116 P HA 0.252 nan 4.420 nan 0.000 0.306 116 P C -0.756 176.571 177.300 0.045 0.000 1.309 116 P CA -0.034 63.080 63.100 0.024 0.000 0.759 116 P CB 0.842 32.557 31.700 0.026 0.000 1.314 117 Q N -0.518 119.311 119.800 0.049 0.000 2.287 117 Q HA -0.036 4.304 4.340 -0.000 0.000 0.201 117 Q C 1.622 177.660 176.000 0.063 0.000 0.946 117 Q CA 1.130 56.970 55.803 0.062 0.000 0.868 117 Q CB -0.438 28.331 28.738 0.052 0.000 0.967 117 Q HN 0.521 nan 8.270 nan 0.000 0.516 118 D N 0.529 120.960 120.400 0.051 0.000 2.411 118 D HA -0.148 4.492 4.640 -0.000 0.000 0.226 118 D C -0.035 176.307 176.300 0.069 0.000 0.988 118 D CA 0.446 54.475 54.000 0.049 0.000 0.938 118 D CB 0.065 40.886 40.800 0.035 0.000 0.883 118 D HN 0.119 nan 8.370 nan 0.000 0.525 119 L N 2.054 123.334 121.223 0.094 0.000 2.283 119 L HA 0.234 4.574 4.340 -0.000 0.000 0.281 119 L C 0.431 177.418 176.870 0.194 0.000 1.033 119 L CA -0.367 54.563 54.840 0.151 0.000 0.848 119 L CB 1.007 43.167 42.059 0.168 0.000 1.226 119 L HN -0.023 nan 8.230 nan 0.000 0.429 120 T N 1.258 115.901 114.554 0.147 0.000 2.891 120 T HA 0.498 4.848 4.350 -0.000 0.000 0.294 120 T C -0.321 174.402 174.700 0.039 0.000 1.065 120 T CA -0.401 61.759 62.100 0.100 0.000 0.936 120 T CB 0.786 69.672 68.868 0.031 0.000 1.415 120 T HN 0.303 nan 8.240 nan 0.000 0.572 121 F N 1.726 121.493 119.950 -0.305 0.000 2.539 121 F HA 0.561 5.088 4.527 -0.000 0.000 0.328 121 F C -0.890 174.711 175.800 -0.332 0.000 1.148 121 F CA -1.542 56.068 58.000 -0.651 0.000 0.940 121 F CB 1.189 39.710 39.000 -0.798 0.000 1.194 121 F HN 0.641 nan 8.300 nan 0.000 0.438 122 N N 4.605 122.798 118.700 -0.844 0.000 2.414 122 N HA 0.492 5.232 4.740 -0.000 0.000 0.256 122 N C 0.332 175.220 175.510 -1.036 0.000 1.029 122 N CA 0.439 53.059 53.050 -0.717 0.000 0.948 122 N CB 1.751 40.043 38.487 -0.325 0.000 1.102 122 N HN 0.766 nan 8.380 nan 0.000 0.496 123 A N 3.146 125.437 122.820 -0.882 0.000 1.843 123 A HA 0.152 4.472 4.320 -0.000 0.000 0.213 123 A C 1.483 178.916 177.584 -0.251 0.000 1.202 123 A CA 1.071 52.757 52.037 -0.584 0.000 0.607 123 A CB -1.029 17.780 19.000 -0.318 0.000 0.847 123 A HN 0.645 nan 8.150 nan 0.000 0.445 124 G N 1.056 109.742 108.800 -0.190 0.000 3.324 124 G HA2 0.334 4.294 3.960 -0.000 0.000 0.232 124 G HA3 0.334 4.294 3.960 -0.000 0.000 0.232 124 G C 0.377 175.224 174.900 -0.087 0.000 1.213 124 G CA 0.602 45.640 45.100 -0.104 0.000 1.637 124 G HN 0.669 nan 8.290 nan 0.000 0.572 125 S N -0.952 114.692 115.700 -0.093 0.000 2.621 125 S HA 0.563 5.033 4.470 -0.000 0.000 0.302 125 S C -0.556 174.036 174.600 -0.014 0.000 1.093 125 S CA -1.083 57.085 58.200 -0.054 0.000 1.017 125 S CB 2.416 65.579 63.200 -0.063 0.000 1.077 125 S HN 0.230 nan 8.310 nan 0.000 0.517 126 N N 1.830 120.530 118.700 -0.000 0.000 2.581 126 N HA 0.372 5.112 4.740 -0.000 0.000 0.279 126 N C -2.655 172.867 175.510 0.020 0.000 1.124 126 N CA -1.026 52.033 53.050 0.014 0.000 0.833 126 N CB 1.100 39.592 38.487 0.009 0.000 1.338 126 N HN 0.661 nan 8.380 nan 0.000 0.533 127 P HA 0.381 nan 4.420 nan 0.000 0.276 127 P C -2.894 174.446 177.300 0.067 0.000 1.252 127 P CA -1.134 61.997 63.100 0.050 0.000 0.802 127 P CB 0.127 31.860 31.700 0.055 0.000 1.035 128 P HA 0.027 nan 4.420 nan 0.000 0.262 128 P C -0.048 177.379 177.300 0.210 0.000 1.182 128 P CA 0.635 63.826 63.100 0.153 0.000 0.761 128 P CB 0.260 32.099 31.700 0.232 0.000 0.795 129 S N 2.365 118.177 115.700 0.186 0.000 2.794 129 S HA 0.649 5.119 4.470 -0.000 0.000 0.299 129 S C -1.690 173.083 174.600 0.288 0.000 1.179 129 S CA -0.642 57.713 58.200 0.259 0.000 0.838 129 S CB 1.031 64.313 63.200 0.137 0.000 1.206 129 S HN 0.207 nan 8.310 nan 0.000 0.523 130 Y N 0.862 121.286 120.300 0.206 0.000 2.327 130 Y HA 0.484 5.034 4.550 -0.000 0.000 0.325 130 Y C 0.195 176.165 175.900 0.117 0.000 0.999 130 Y CA -0.420 57.809 58.100 0.216 0.000 1.195 130 Y CB 1.844 40.466 38.460 0.270 0.000 1.132 130 Y HN 0.681 nan 8.280 nan 0.000 0.455 131 Q N 1.397 121.284 119.800 0.146 0.000 2.205 131 Q HA 0.646 4.986 4.340 -0.000 0.000 0.249 131 Q C -0.384 175.675 176.000 0.099 0.000 0.948 131 Q CA -0.508 55.352 55.803 0.096 0.000 0.895 131 Q CB 2.207 30.962 28.738 0.029 0.000 1.249 131 Q HN 0.668 nan 8.270 nan 0.000 0.458 132 S N -0.664 115.080 115.700 0.074 0.000 2.971 132 S HA 0.340 4.810 4.470 -0.000 0.000 0.320 132 S C 0.508 175.130 174.600 0.037 0.000 1.111 132 S CA -0.330 57.907 58.200 0.062 0.000 0.870 132 S CB 1.225 64.464 63.200 0.065 0.000 1.331 132 S HN 0.573 nan 8.310 nan 0.000 0.635 133 S N 0.997 116.715 115.700 0.030 0.000 2.357 133 S HA -0.001 4.469 4.470 -0.000 0.000 0.221 133 S C 1.262 175.871 174.600 0.016 0.000 1.031 133 S CA 1.427 59.639 58.200 0.019 0.000 0.982 133 S CB -0.379 62.830 63.200 0.015 0.000 0.853 133 S HN 0.786 nan 8.310 nan 0.000 0.458 134 E N -0.352 119.858 120.200 0.017 0.000 2.606 134 E HA 0.233 4.583 4.350 -0.000 0.000 0.224 134 E C -0.758 175.853 176.600 0.018 0.000 0.930 134 E CA -0.229 56.179 56.400 0.014 0.000 1.125 134 E CB 0.356 30.061 29.700 0.008 0.000 1.123 134 E HN 0.189 nan 8.360 nan 0.000 0.522 135 D N 1.100 121.516 120.400 0.027 0.000 2.228 135 D HA 0.434 5.074 4.640 -0.000 0.000 0.247 135 D C -0.824 175.506 176.300 0.049 0.000 0.995 135 D CA -0.589 53.431 54.000 0.034 0.000 0.903 135 D CB 2.947 43.769 40.800 0.038 0.000 1.205 135 D HN -0.129 nan 8.370 nan 0.000 0.459 136 V N 2.393 122.336 119.914 0.047 0.000 2.612 136 V HA 0.364 4.484 4.120 -0.000 0.000 0.301 136 V C -0.375 175.755 176.094 0.059 0.000 1.059 136 V CA -0.622 61.717 62.300 0.064 0.000 0.886 136 V CB 1.978 33.827 31.823 0.044 0.000 1.007 136 V HN 0.396 nan 8.190 nan 0.000 0.426 137 I N 4.453 125.086 120.570 0.105 0.000 2.389 137 I HA 0.695 4.865 4.170 -0.000 0.000 0.288 137 I C 0.237 176.421 176.117 0.112 0.000 0.999 137 I CA 0.153 61.486 61.300 0.056 0.000 1.129 137 I CB 2.113 40.129 38.000 0.026 0.000 1.288 137 I HN 0.680 nan 8.210 nan 0.000 0.444 138 T N 4.091 118.667 114.554 0.037 0.000 2.572 138 T HA 0.484 4.834 4.350 -0.000 0.000 0.274 138 T C 1.279 175.988 174.700 0.017 0.000 0.949 138 T CA -0.649 61.497 62.100 0.077 0.000 1.126 138 T CB 0.733 69.646 68.868 0.075 0.000 1.478 138 T HN 0.253 nan 8.240 nan 0.000 0.492 139 I N 1.250 121.844 120.570 0.040 0.000 2.704 139 I HA -0.245 3.925 4.170 -0.000 0.000 0.162 139 I C 2.385 178.495 176.117 -0.012 0.000 0.923 139 I CA 1.242 62.556 61.300 0.023 0.000 1.277 139 I CB -0.382 37.638 38.000 0.033 0.000 1.025 139 I HN 0.492 nan 8.210 nan 0.000 0.395 140 K N 1.356 121.752 120.400 -0.006 0.000 2.366 140 K HA -0.108 4.212 4.320 -0.000 0.000 0.202 140 K C 0.875 177.453 176.600 -0.037 0.000 1.045 140 K CA 0.862 57.139 56.287 -0.016 0.000 0.934 140 K CB -1.095 31.401 32.500 -0.007 0.000 0.746 140 K HN 0.640 nan 8.250 nan 0.000 0.470 141 S N 1.869 117.539 115.700 -0.052 0.000 2.575 141 S HA 0.046 4.516 4.470 -0.000 0.000 0.295 141 S C 0.133 174.670 174.600 -0.104 0.000 1.267 141 S CA -0.381 57.775 58.200 -0.073 0.000 1.074 141 S CB 0.359 63.507 63.200 -0.086 0.000 0.829 141 S HN 0.108 nan 8.310 nan 0.000 0.497 142 R N 2.374 122.828 120.500 -0.077 0.000 2.390 142 R HA 0.570 4.910 4.340 -0.000 0.000 0.291 142 R C -0.164 176.081 176.300 -0.091 0.000 1.070 142 R CA -0.181 55.874 56.100 -0.074 0.000 1.014 142 R CB 0.481 30.756 30.300 -0.043 0.000 1.007 142 R HN 0.652 nan 8.270 nan 0.000 0.466 143 I N 1.300 121.811 120.570 -0.098 0.000 3.002 143 I HA 0.439 4.609 4.170 -0.000 0.000 0.310 143 I C -0.232 175.875 176.117 -0.016 0.000 1.087 143 I CA -1.156 60.093 61.300 -0.084 0.000 1.017 143 I CB 2.435 40.331 38.000 -0.174 0.000 1.226 143 I HN 0.430 nan 8.210 nan 0.000 0.443 144 R N 3.270 123.780 120.500 0.017 0.000 2.435 144 R HA 0.678 5.018 4.340 -0.000 0.000 0.308 144 R C -1.936 174.405 176.300 0.068 0.000 0.975 144 R CA -0.356 55.770 56.100 0.043 0.000 0.867 144 R CB 1.458 31.785 30.300 0.044 0.000 1.171 144 R HN 0.459 nan 8.270 nan 0.000 0.470 145 V N 3.415 123.378 119.914 0.082 0.000 2.975 145 V HA 0.428 4.548 4.120 -0.000 0.000 0.318 145 V C -0.315 175.828 176.094 0.082 0.000 1.077 145 V CA -0.847 61.508 62.300 0.092 0.000 1.000 145 V CB 1.935 33.827 31.823 0.115 0.000 1.066 145 V HN 0.667 nan 8.190 nan 0.000 0.452 146 K N 2.495 122.937 120.400 0.069 0.000 2.449 146 K HA 0.494 4.814 4.320 -0.000 0.000 0.257 146 K C -0.846 175.790 176.600 0.061 0.000 0.989 146 K CA -0.543 55.782 56.287 0.065 0.000 0.916 146 K CB 0.837 33.369 32.500 0.054 0.000 1.136 146 K HN 0.635 nan 8.250 nan 0.000 0.439 147 I N 5.393 126.010 120.570 0.078 0.000 2.574 147 I HA -0.085 4.085 4.170 -0.000 0.000 0.291 147 I C 1.345 177.499 176.117 0.062 0.000 1.131 147 I CA -0.026 61.319 61.300 0.076 0.000 1.352 147 I CB 0.466 38.526 38.000 0.099 0.000 1.431 147 I HN 0.712 nan 8.210 nan 0.000 0.543 148 E N 4.616 124.841 120.200 0.042 0.000 2.072 148 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 148 E C 0.966 177.590 176.600 0.039 0.000 0.985 148 E CA 0.600 57.020 56.400 0.034 0.000 0.801 148 E CB 0.239 29.948 29.700 0.015 0.000 0.750 148 E HN 0.799 nan 8.360 nan 0.000 0.452 149 G N -1.014 107.812 108.800 0.042 0.000 2.704 149 G HA2 0.423 4.383 3.960 -0.000 0.000 0.293 149 G HA3 0.423 4.383 3.960 -0.000 0.000 0.293 149 G C -1.363 173.560 174.900 0.038 0.000 1.421 149 G CA -0.533 44.590 45.100 0.039 0.000 0.870 149 G HN 0.098 nan 8.290 nan 0.000 0.492 150 C N 0.106 119.417 119.300 0.019 0.000 2.493 150 C HA 0.788 5.248 4.460 -0.000 0.000 0.326 150 C C -0.228 174.766 174.990 0.007 0.000 1.200 150 C CA -0.365 58.653 59.018 -0.000 0.000 1.739 150 C CB 0.425 28.127 27.740 -0.064 0.000 2.300 150 C HN 0.541 nan 8.230 nan 0.000 0.500 151 I N 3.192 123.779 120.570 0.027 0.000 2.503 151 I HA 0.236 4.406 4.170 -0.000 0.000 0.282 151 I C 0.250 176.391 176.117 0.041 0.000 1.059 151 I CA 0.104 61.428 61.300 0.040 0.000 1.081 151 I CB 1.325 39.372 38.000 0.077 0.000 1.210 151 I HN 0.678 nan 8.210 nan 0.000 0.450 152 S N 5.088 120.789 115.700 0.002 0.000 2.593 152 S HA 0.548 5.018 4.470 -0.000 0.000 0.269 152 S C -0.388 174.224 174.600 0.021 0.000 1.334 152 S CA -0.473 57.722 58.200 -0.008 0.000 1.015 152 S CB 1.840 65.016 63.200 -0.041 0.000 0.912 152 S HN 0.744 nan 8.310 nan 0.000 0.541 153 Q N 1.143 120.952 119.800 0.015 0.000 2.593 153 Q HA 0.356 4.696 4.340 -0.000 0.000 0.242 153 Q C -0.298 175.707 176.000 0.009 0.000 0.944 153 Q CA -0.483 55.341 55.803 0.033 0.000 1.041 153 Q CB 0.870 29.669 28.738 0.101 0.000 1.588 153 Q HN 0.754 nan 8.270 nan 0.000 0.464 154 V N 1.931 121.845 119.914 -0.001 0.000 0.688 154 V HA -0.432 3.688 4.120 -0.000 0.000 0.092 154 V C 0.564 176.627 176.094 -0.052 0.000 0.817 154 V CA 2.307 64.598 62.300 -0.016 0.000 3.106 154 V CB -1.900 29.925 31.823 0.002 0.000 0.213 154 V HN 1.196 nan 8.190 nan 0.000 0.135 155 S N 0.765 116.423 115.700 -0.069 0.000 2.499 155 S HA 0.709 5.179 4.470 -0.000 0.000 0.238 155 S C -0.384 174.084 174.600 -0.221 0.000 1.205 155 S CA 0.451 58.567 58.200 -0.139 0.000 1.203 155 S CB 0.641 63.779 63.200 -0.104 0.000 0.954 155 S HN 2.089 nan 8.310 nan 0.000 0.484 156 S N 0.289 115.864 115.700 -0.208 0.000 2.655 156 S HA 0.748 5.218 4.470 -0.000 0.000 0.266 156 S C -1.500 173.055 174.600 -0.075 0.000 1.149 156 S CA -1.051 57.036 58.200 -0.188 0.000 0.818 156 S CB 0.591 63.738 63.200 -0.089 0.000 1.130 156 S HN 0.370 nan 8.310 nan 0.000 0.476 157 I N 1.597 122.171 120.570 0.008 0.000 2.610 157 I HA 0.421 4.591 4.170 -0.000 0.000 0.289 157 I C -1.139 174.822 176.117 -0.260 0.000 1.163 157 I CA -0.466 60.804 61.300 -0.049 0.000 1.044 157 I CB 2.085 40.141 38.000 0.093 0.000 1.251 157 I HN 0.684 nan 8.210 nan 0.000 0.424 158 H N 3.924 123.045 119.070 0.083 0.000 2.676 158 H HA 0.895 5.451 4.556 -0.000 0.000 0.352 158 H C -0.588 174.778 175.328 0.063 0.000 1.193 158 H CA -0.869 55.227 56.048 0.080 0.000 1.243 158 H CB 2.432 32.237 29.762 0.072 0.000 1.751 158 H HN 0.705 nan 8.280 nan 0.000 0.567 159 A N 1.315 124.265 122.820 0.217 0.000 2.605 159 A HA 0.479 4.799 4.320 -0.000 0.000 0.294 159 A C -1.272 176.403 177.584 0.153 0.000 1.062 159 A CA -0.632 51.490 52.037 0.141 0.000 0.682 159 A CB 1.122 20.173 19.000 0.086 0.000 1.278 159 A HN 0.512 nan 8.150 nan 0.000 0.410 160 I N 1.263 121.896 120.570 0.105 0.000 2.392 160 I HA 0.637 4.807 4.170 -0.000 0.000 0.295 160 I C 0.763 176.894 176.117 0.022 0.000 0.985 160 I CA -0.417 60.921 61.300 0.063 0.000 1.221 160 I CB 2.053 40.077 38.000 0.041 0.000 1.366 160 I HN 0.810 nan 8.210 nan 0.000 0.467 161 G N 2.966 111.753 108.800 -0.022 0.000 2.605 161 G HA2 0.667 4.627 3.960 -0.000 0.000 0.296 161 G HA3 0.667 4.627 3.960 -0.000 0.000 0.296 161 G C -1.091 173.767 174.900 -0.071 0.000 1.304 161 G CA -0.457 44.636 45.100 -0.011 0.000 0.941 161 G HN 0.636 nan 8.290 nan 0.000 0.475 162 S N -1.268 114.411 115.700 -0.035 0.000 2.677 162 S HA 0.712 5.182 4.470 -0.000 0.000 0.304 162 S C 0.262 174.858 174.600 -0.006 0.000 1.108 162 S CA -0.679 57.488 58.200 -0.054 0.000 0.944 162 S CB 1.670 64.847 63.200 -0.038 0.000 1.127 162 S HN 1.245 nan 8.310 nan 0.000 0.511 163 I N -2.645 117.918 120.570 -0.011 0.000 3.597 163 I HA 0.482 4.652 4.170 -0.000 0.000 0.323 163 I C 0.617 176.743 176.117 0.014 0.000 1.535 163 I CA -0.474 60.844 61.300 0.029 0.000 1.028 163 I CB 0.177 38.221 38.000 0.074 0.000 1.354 163 I HN 0.634 nan 8.210 nan 0.000 0.544 164 K N 1.200 121.601 120.400 0.001 0.000 2.404 164 K HA 0.189 4.509 4.320 -0.000 0.000 0.194 164 K C 0.669 177.275 176.600 0.011 0.000 1.023 164 K CA 0.123 56.410 56.287 0.001 0.000 1.094 164 K CB 0.576 33.072 32.500 -0.006 0.000 0.841 164 K HN 0.361 nan 8.250 nan 0.000 0.523 165 E N 0.681 120.896 120.200 0.024 0.000 4.034 165 E HA 0.103 4.453 4.350 -0.000 0.000 0.297 165 E C -0.287 176.332 176.600 0.030 0.000 1.372 165 E CA -0.178 56.245 56.400 0.038 0.000 1.555 165 E CB 0.272 30.010 29.700 0.063 0.000 1.488 165 E HN 0.134 nan 8.360 nan 0.000 0.782 166 D N -0.748 119.692 120.400 0.065 0.000 2.387 166 D HA 0.168 4.808 4.640 -0.000 0.000 0.255 166 D C -0.371 175.997 176.300 0.112 0.000 1.081 166 D CA -0.403 53.580 54.000 -0.028 0.000 0.994 166 D CB 0.665 41.411 40.800 -0.091 0.000 1.127 166 D HN 0.360 nan 8.370 nan 0.000 0.513 167 Y N -1.014 119.293 120.300 0.011 0.000 3.491 167 Y HA -0.236 4.314 4.550 -0.000 0.000 0.215 167 Y C -0.280 175.628 175.900 0.013 0.000 1.219 167 Y CA 0.173 58.279 58.100 0.010 0.000 1.485 167 Y CB -1.709 36.755 38.460 0.007 0.000 1.450 167 Y HN 0.199 nan 8.280 nan 0.000 0.603 168 L N -0.775 120.499 121.223 0.085 0.000 2.436 168 L HA 0.831 5.170 4.340 -0.000 0.000 0.268 168 L C 0.622 177.518 176.870 0.044 0.000 0.974 168 L CA -0.027 54.856 54.840 0.072 0.000 0.826 168 L CB 2.279 44.381 42.059 0.072 0.000 1.291 168 L HN 0.333 nan 8.230 nan 0.000 0.406 169 G N 1.616 110.444 108.800 0.047 0.000 2.384 169 G HA2 0.317 4.277 3.960 -0.000 0.000 0.113 169 G HA3 0.317 4.277 3.960 -0.000 0.000 0.113 169 G C -1.219 173.689 174.900 0.013 0.000 1.224 169 G CA 0.056 45.179 45.100 0.039 0.000 1.126 169 G HN 0.823 nan 8.290 nan 0.000 0.461 170 A N -0.385 122.436 122.820 0.002 0.000 2.240 170 A HA 0.917 5.237 4.320 -0.000 0.000 0.292 170 A C 0.315 177.896 177.584 -0.005 0.000 1.121 170 A CA 0.368 52.396 52.037 -0.016 0.000 0.851 170 A CB 0.029 19.020 19.000 -0.015 0.000 1.167 170 A HN 1.561 nan 8.150 nan 0.000 0.503 171 I N 0.000 120.564 120.570 -0.010 0.000 2.984 171 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 171 I CA 0.000 61.299 61.300 -0.002 0.000 1.566 171 I CB 0.000 38.000 38.000 -0.001 0.000 1.214 171 I HN 0.000 nan 8.210 nan 0.000 0.494