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 2r93_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 0.000 176.233 176.300 -0.111 0.000 1.140 1 M CA 0.000 55.254 55.300 -0.077 0.000 0.988 1 M CB 0.000 32.718 32.600 0.197 0.000 1.302 2 F N 2.213 122.059 119.950 -0.174 0.000 2.589 2 F HA 0.369 4.896 4.527 -0.000 0.000 0.352 2 F C 0.181 175.829 175.800 -0.252 0.000 1.168 2 F CA 0.708 58.701 58.000 -0.012 0.000 1.353 2 F CB -0.058 38.938 39.000 -0.006 0.000 1.116 2 F HN 0.003 nan 8.300 nan 0.000 0.608 3 F N 1.740 121.848 119.950 0.263 0.000 2.611 3 F HA 0.573 5.100 4.527 -0.000 0.000 0.324 3 F C -0.185 175.684 175.800 0.115 0.000 1.061 3 F CA -0.876 57.226 58.000 0.170 0.000 0.954 3 F CB 1.499 40.587 39.000 0.147 0.000 1.301 3 F HN 0.033 nan 8.300 nan 0.000 0.482 4 I N 2.417 123.168 120.570 0.301 0.000 2.595 4 I HA 0.242 4.412 4.170 -0.000 0.000 0.275 4 I C -0.789 175.403 176.117 0.126 0.000 1.092 4 I CA -0.613 60.781 61.300 0.158 0.000 1.145 4 I CB 1.155 39.219 38.000 0.107 0.000 1.276 4 I HN 0.352 nan 8.210 nan 0.000 0.497 5 K N 3.752 124.207 120.400 0.092 0.000 2.110 5 K HA 0.297 4.617 4.320 -0.000 0.000 0.263 5 K C -0.485 176.084 176.600 -0.051 0.000 0.975 5 K CA -0.360 55.958 56.287 0.052 0.000 0.895 5 K CB 0.934 33.490 32.500 0.092 0.000 1.060 5 K HN 0.226 nan 8.250 nan 0.000 0.448 6 D N 4.628 125.007 120.400 -0.036 0.000 2.365 6 D HA 0.181 4.821 4.640 -0.000 0.000 0.237 6 D C -0.124 176.116 176.300 -0.100 0.000 1.190 6 D CA 0.044 53.992 54.000 -0.086 0.000 0.867 6 D CB 0.412 41.200 40.800 -0.020 0.000 1.050 6 D HN 0.353 nan 8.370 nan 0.000 0.491 7 L N 0.808 121.875 121.223 -0.261 0.000 2.299 7 L HA 0.604 4.944 4.340 -0.000 0.000 0.268 7 L C 0.366 177.354 176.870 0.197 0.000 1.012 7 L CA -0.880 53.882 54.840 -0.129 0.000 0.816 7 L CB 1.518 43.416 42.059 -0.269 0.000 1.355 7 L HN 0.290 nan 8.230 nan 0.000 0.457 8 S N 0.788 116.651 115.700 0.271 0.000 2.584 8 S HA 0.610 5.080 4.470 -0.000 0.000 0.280 8 S C -1.381 173.237 174.600 0.031 0.000 1.162 8 S CA -0.710 57.601 58.200 0.185 0.000 0.951 8 S CB 1.754 65.010 63.200 0.095 0.000 1.108 8 S HN 0.475 nan 8.310 nan 0.000 0.464 9 L N 2.014 123.175 121.223 -0.104 0.000 2.342 9 L HA 0.774 5.114 4.340 -0.000 0.000 0.271 9 L C -1.307 175.513 176.870 -0.083 0.000 1.008 9 L CA -0.479 54.284 54.840 -0.129 0.000 0.818 9 L CB 1.844 43.760 42.059 -0.239 0.000 1.296 9 L HN 0.791 nan 8.230 nan 0.000 0.427 10 N N 4.596 123.270 118.700 -0.044 0.000 2.457 10 N HA 0.531 5.271 4.740 -0.000 0.000 0.250 10 N C -1.151 174.364 175.510 0.009 0.000 0.982 10 N CA -0.082 52.966 53.050 -0.004 0.000 0.941 10 N CB 0.834 39.324 38.487 0.004 0.000 1.120 10 N HN 0.538 nan 8.380 nan 0.000 0.505 11 I N 0.131 120.730 120.570 0.048 0.000 2.441 11 I HA 0.378 4.548 4.170 -0.000 0.000 0.295 11 I C 0.151 176.351 176.117 0.138 0.000 0.994 11 I CA -0.780 60.565 61.300 0.074 0.000 1.144 11 I CB 1.900 39.935 38.000 0.059 0.000 1.314 11 I HN 0.087 nan 8.210 nan 0.000 0.445 12 T N 6.786 121.412 114.554 0.120 0.000 2.753 12 T HA 0.406 4.756 4.350 -0.000 0.000 0.297 12 T C -0.324 174.485 174.700 0.181 0.000 0.981 12 T CA -0.321 61.855 62.100 0.127 0.000 0.956 12 T CB 0.658 69.576 68.868 0.083 0.000 0.936 12 T HN 0.351 nan 8.240 nan 0.000 0.463 13 L N 4.200 125.561 121.223 0.230 0.000 2.289 13 L HA 0.453 4.793 4.340 -0.000 0.000 0.285 13 L C 0.090 177.106 176.870 0.244 0.000 1.049 13 L CA -0.896 54.096 54.840 0.253 0.000 0.804 13 L CB 0.902 43.113 42.059 0.253 0.000 1.195 13 L HN 0.710 nan 8.230 nan 0.000 0.428 14 H N 6.487 125.571 119.070 0.023 0.000 2.683 14 H HA 0.205 4.761 4.556 -0.000 0.000 0.339 14 H C -1.966 173.421 175.328 0.098 0.000 1.081 14 H CA -1.265 54.755 56.048 -0.046 0.000 1.432 14 H CB 1.281 30.873 29.762 -0.283 0.000 1.462 14 H HN 0.380 nan 8.280 nan 0.000 0.557 15 P HA -0.309 nan 4.420 nan 0.000 0.218 15 P C 1.684 178.856 177.300 -0.212 0.000 1.152 15 P CA 2.038 64.845 63.100 -0.488 0.000 0.857 15 P CB 0.084 31.322 31.700 -0.771 0.000 0.787 16 S N -0.807 114.544 115.700 -0.582 0.000 2.414 16 S HA -0.227 4.243 4.470 -0.000 0.000 0.238 16 S C 1.233 175.861 174.600 0.047 0.000 1.055 16 S CA 1.552 59.615 58.200 -0.228 0.000 1.174 16 S CB -1.257 61.785 63.200 -0.262 0.000 1.087 16 S HN 0.164 nan 8.310 nan 0.000 0.428 17 F N 0.368 120.347 119.950 0.049 0.000 2.712 17 F HA 0.210 4.737 4.527 -0.000 0.000 0.297 17 F C 0.425 176.242 175.800 0.028 0.000 1.278 17 F CA -0.567 57.410 58.000 -0.039 0.000 1.441 17 F CB -0.477 38.374 39.000 -0.248 0.000 1.063 17 F HN 0.130 nan 8.300 nan 0.000 0.511 18 F N 1.046 121.038 119.950 0.071 0.000 2.676 18 F HA 0.215 4.742 4.527 -0.000 0.000 0.300 18 F C 1.830 177.665 175.800 0.060 0.000 1.160 18 F CA -0.697 57.342 58.000 0.064 0.000 1.401 18 F CB -0.891 38.114 39.000 0.009 0.000 1.037 18 F HN 0.004 nan 8.300 nan 0.000 0.522 19 G N 1.482 110.389 108.800 0.180 0.000 2.394 19 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.256 19 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.256 19 G C -0.888 174.059 174.900 0.078 0.000 1.504 19 G CA 0.041 45.210 45.100 0.115 0.000 1.051 19 G HN 0.178 nan 8.290 nan 0.000 0.550 20 P HA 0.149 nan 4.420 nan 0.000 0.218 20 P C 0.726 178.038 177.300 0.020 0.000 1.147 20 P CA 0.218 63.339 63.100 0.035 0.000 0.863 20 P CB 0.650 32.369 31.700 0.032 0.000 0.812 21 R N 0.656 121.168 120.500 0.020 0.000 3.171 21 R HA 0.325 4.665 4.340 -0.000 0.000 0.241 21 R C 0.859 177.168 176.300 0.013 0.000 1.421 21 R CA -0.188 55.919 56.100 0.012 0.000 1.444 21 R CB -0.330 29.978 30.300 0.013 0.000 1.247 21 R HN 0.303 nan 8.270 nan 0.000 0.636 22 M N 0.881 120.474 119.600 -0.010 0.000 2.940 22 M HA 0.004 4.484 4.480 -0.000 0.000 0.248 22 M C 1.782 178.030 176.300 -0.087 0.000 1.379 22 M CA 0.927 56.204 55.300 -0.038 0.000 1.262 22 M CB 0.068 32.611 32.600 -0.094 0.000 1.201 22 M HN 0.238 nan 8.290 nan 0.000 0.553 23 K N 0.458 120.786 120.400 -0.118 0.000 2.163 23 K HA -0.340 3.980 4.320 -0.000 0.000 0.210 23 K C 1.900 178.438 176.600 -0.104 0.000 1.048 23 K CA 2.579 58.777 56.287 -0.147 0.000 0.928 23 K CB -0.199 32.248 32.500 -0.088 0.000 0.716 23 K HN 0.463 nan 8.250 nan 0.000 0.459 24 Q N -0.328 119.450 119.800 -0.038 0.000 1.967 24 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 24 Q C 1.969 177.953 176.000 -0.026 0.000 0.985 24 Q CA 2.094 57.897 55.803 -0.001 0.000 0.839 24 Q CB -0.661 28.091 28.738 0.023 0.000 0.906 24 Q HN 0.482 nan 8.270 nan 0.000 0.423 25 Y N 0.187 120.417 120.300 -0.116 0.000 2.315 25 Y HA -0.173 4.377 4.550 -0.000 0.000 0.288 25 Y C 1.675 177.494 175.900 -0.135 0.000 1.154 25 Y CA 1.234 59.247 58.100 -0.144 0.000 1.229 25 Y CB 0.063 38.398 38.460 -0.207 0.000 0.980 25 Y HN 0.194 nan 8.280 nan 0.000 0.540 26 L N -0.149 121.021 121.223 -0.087 0.000 1.961 26 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 26 L C 2.407 179.118 176.870 -0.265 0.000 1.072 26 L CA 1.946 56.670 54.840 -0.193 0.000 0.749 26 L CB -0.698 41.159 42.059 -0.336 0.000 0.889 26 L HN 0.193 nan 8.230 nan 0.000 0.432 27 K N -0.461 119.785 120.400 -0.257 0.000 1.988 27 K HA -0.226 4.094 4.320 -0.000 0.000 0.221 27 K C 1.881 178.308 176.600 -0.289 0.000 1.053 27 K CA 2.366 58.471 56.287 -0.304 0.000 0.959 27 K CB -0.626 31.683 32.500 -0.318 0.000 0.728 27 K HN 0.290 nan 8.250 nan 0.000 0.447 28 T N 1.155 115.564 114.554 -0.242 0.000 2.684 28 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 28 T C 1.822 176.312 174.700 -0.351 0.000 1.032 28 T CA 1.946 63.890 62.100 -0.261 0.000 1.155 28 T CB -0.166 68.511 68.868 -0.319 0.000 0.857 28 T HN 0.284 nan 8.240 nan 0.000 0.457 29 K N -0.001 120.111 120.400 -0.481 0.000 2.228 29 K HA 0.095 4.415 4.320 -0.000 0.000 0.202 29 K C 2.168 178.623 176.600 -0.241 0.000 1.051 29 K CA 0.313 56.371 56.287 -0.381 0.000 0.960 29 K CB -0.196 32.073 32.500 -0.384 0.000 0.743 29 K HN 0.180 nan 8.250 nan 0.000 0.458 30 L N 1.503 122.571 121.223 -0.260 0.000 1.990 30 L HA -0.205 4.135 4.340 -0.000 0.000 0.213 30 L C 1.739 178.476 176.870 -0.222 0.000 1.072 30 L CA 1.766 56.444 54.840 -0.271 0.000 0.755 30 L CB -0.391 41.458 42.059 -0.350 0.000 0.889 30 L HN 0.174 nan 8.230 nan 0.000 0.432 31 L N -0.836 120.271 121.223 -0.193 0.000 2.187 31 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 31 L C 2.321 179.139 176.870 -0.087 0.000 1.100 31 L CA 1.346 56.118 54.840 -0.113 0.000 0.765 31 L CB -0.817 41.198 42.059 -0.074 0.000 0.904 31 L HN 0.437 nan 8.230 nan 0.000 0.437 32 E N -0.010 120.122 120.200 -0.113 0.000 2.299 32 E HA -0.133 4.216 4.350 -0.000 0.000 0.193 32 E C 1.456 178.014 176.600 -0.070 0.000 0.998 32 E CA 0.477 56.827 56.400 -0.084 0.000 0.851 32 E CB 0.199 29.841 29.700 -0.098 0.000 0.795 32 E HN 0.448 nan 8.360 nan 0.000 0.492 33 E N -0.266 119.880 120.200 -0.090 0.000 2.481 33 E HA 0.023 4.373 4.350 -0.000 0.000 0.198 33 E C 0.966 177.519 176.600 -0.078 0.000 1.027 33 E CA -0.082 56.271 56.400 -0.077 0.000 0.900 33 E CB 0.892 30.542 29.700 -0.082 0.000 0.993 33 E HN -0.019 nan 8.360 nan 0.000 0.482 34 V N -0.071 119.799 119.914 -0.074 0.000 3.097 34 V HA 0.033 4.153 4.120 -0.000 0.000 0.223 34 V C 0.200 176.292 176.094 -0.003 0.000 1.199 34 V CA -0.137 62.142 62.300 -0.036 0.000 1.260 34 V CB 0.043 31.854 31.823 -0.019 0.000 1.155 34 V HN 0.057 nan 8.190 nan 0.000 0.509 35 E N 1.770 121.976 120.200 0.010 0.000 2.562 35 E HA 0.289 4.639 4.350 -0.000 0.000 0.241 35 E C 0.909 177.512 176.600 0.006 0.000 1.136 35 E CA 0.927 57.342 56.400 0.025 0.000 0.952 35 E CB -0.358 29.360 29.700 0.031 0.000 0.975 35 E HN 0.741 nan 8.360 nan 0.000 0.494 36 G N 2.630 111.430 108.800 0.001 0.000 2.227 36 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.168 36 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.168 36 G C 0.431 175.283 174.900 -0.080 0.000 1.006 36 G CA 0.027 45.113 45.100 -0.024 0.000 0.684 36 G HN 0.604 nan 8.290 nan 0.000 0.489 37 S N -1.292 114.363 115.700 -0.075 0.000 2.626 37 S HA 0.638 5.108 4.470 -0.000 0.000 0.257 37 S C 0.201 174.685 174.600 -0.192 0.000 1.288 37 S CA 0.072 58.209 58.200 -0.105 0.000 0.980 37 S CB 2.036 65.197 63.200 -0.066 0.000 0.975 37 S HN 1.587 nan 8.310 nan 0.000 0.577 38 C N 1.624 120.814 119.300 -0.184 0.000 3.029 38 C HA 0.581 5.041 4.460 -0.000 0.000 0.396 38 C C -0.426 174.494 174.990 -0.117 0.000 1.072 38 C CA -0.232 58.630 59.018 -0.260 0.000 1.269 38 C CB -0.017 27.415 27.740 -0.513 0.000 1.684 38 C HN 1.065 nan 8.230 nan 0.000 0.510 39 T N 2.791 117.332 114.554 -0.022 0.000 2.942 39 T HA 0.527 4.877 4.350 -0.000 0.000 0.289 39 T C 1.177 175.873 174.700 -0.007 0.000 1.044 39 T CA 0.138 62.261 62.100 0.039 0.000 1.023 39 T CB 1.806 70.802 68.868 0.214 0.000 1.123 39 T HN 0.801 nan 8.240 nan 0.000 0.512 40 G N -0.153 108.627 108.800 -0.035 0.000 2.623 40 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.214 40 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.214 40 G C 1.129 175.924 174.900 -0.175 0.000 1.138 40 G CA 0.158 45.201 45.100 -0.096 0.000 0.794 40 G HN 0.587 nan 8.290 nan 0.000 0.535 41 K N -0.925 119.366 120.400 -0.182 0.000 2.367 41 K HA 0.307 4.627 4.320 -0.000 0.000 0.194 41 K C 0.461 176.504 176.600 -0.929 0.000 1.027 41 K CA 0.106 56.099 56.287 -0.491 0.000 1.075 41 K CB 0.149 32.362 32.500 -0.478 0.000 0.845 41 K HN 0.370 nan 8.250 nan 0.000 0.529 42 F N -1.686 118.194 119.950 -0.116 0.000 2.964 42 F HA 0.232 4.759 4.527 -0.000 0.000 0.371 42 F C 1.068 176.799 175.800 -0.115 0.000 1.026 42 F CA 0.034 57.967 58.000 -0.112 0.000 1.106 42 F CB 1.019 39.976 39.000 -0.071 0.000 1.135 42 F HN 0.076 nan 8.300 nan 0.000 0.557 43 G N 0.698 109.504 108.800 0.010 0.000 2.527 43 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.268 43 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.268 43 G C -0.919 174.057 174.900 0.127 0.000 1.175 43 G CA -0.297 44.806 45.100 0.004 0.000 0.962 43 G HN 0.051 nan 8.290 nan 0.000 0.560 44 Y N 0.741 120.944 120.300 -0.162 0.000 2.383 44 Y HA 0.567 5.117 4.550 -0.000 0.000 0.344 44 Y C 1.031 176.926 175.900 -0.010 0.000 0.986 44 Y CA -1.133 56.928 58.100 -0.065 0.000 1.175 44 Y CB 0.986 39.432 38.460 -0.022 0.000 1.152 44 Y HN 0.360 nan 8.280 nan 0.000 0.511 45 I N 5.756 126.382 120.570 0.093 0.000 2.396 45 I HA 0.037 4.207 4.170 -0.000 0.000 0.289 45 I C 0.643 176.811 176.117 0.086 0.000 1.056 45 I CA 0.487 61.829 61.300 0.070 0.000 1.365 45 I CB 0.990 39.010 38.000 0.033 0.000 1.407 45 I HN 0.788 nan 8.210 nan 0.000 0.509 46 L N 5.889 127.165 121.223 0.089 0.000 2.547 46 L HA 0.237 4.577 4.340 -0.000 0.000 0.218 46 L C 0.398 177.314 176.870 0.078 0.000 1.048 46 L CA 0.483 55.378 54.840 0.091 0.000 0.859 46 L CB 0.679 42.787 42.059 0.082 0.000 1.128 46 L HN 0.611 nan 8.230 nan 0.000 0.483 47 C N -0.144 119.199 119.300 0.073 0.000 3.279 47 C HA 0.433 4.893 4.460 -0.000 0.000 0.386 47 C C -0.943 174.091 174.990 0.073 0.000 1.081 47 C CA -0.921 58.143 59.018 0.076 0.000 1.192 47 C CB 0.935 28.722 27.740 0.078 0.000 1.552 47 C HN -0.048 nan 8.230 nan 0.000 0.559 48 V N 6.725 126.695 119.914 0.093 0.000 2.432 48 V HA 0.350 4.470 4.120 -0.000 0.000 0.271 48 V C 0.582 176.728 176.094 0.086 0.000 1.046 48 V CA -0.133 62.228 62.300 0.102 0.000 0.945 48 V CB 0.639 32.555 31.823 0.156 0.000 0.992 48 V HN 0.746 nan 8.190 nan 0.000 0.471 49 L N 2.530 123.787 121.223 0.057 0.000 2.479 49 L HA 0.487 4.827 4.340 -0.000 0.000 0.249 49 L C 1.005 177.920 176.870 0.075 0.000 1.178 49 L CA -0.670 54.209 54.840 0.065 0.000 0.811 49 L CB 0.065 42.151 42.059 0.044 0.000 1.187 49 L HN 0.632 nan 8.230 nan 0.000 0.480 50 D N -0.222 120.227 120.400 0.083 0.000 2.740 50 D HA -0.287 4.353 4.640 -0.000 0.000 0.231 50 D C 0.731 177.108 176.300 0.128 0.000 1.194 50 D CA 0.725 54.779 54.000 0.090 0.000 0.673 50 D CB -0.331 40.505 40.800 0.059 0.000 0.995 50 D HN 0.706 nan 8.370 nan 0.000 0.411 51 Y N 0.790 121.103 120.300 0.021 0.000 2.069 51 Y HA -0.286 4.264 4.550 -0.000 0.000 0.278 51 Y C 2.155 178.057 175.900 0.003 0.000 1.175 51 Y CA 2.131 60.239 58.100 0.013 0.000 1.134 51 Y CB 0.003 38.464 38.460 0.002 0.000 0.965 51 Y HN 0.179 nan 8.280 nan 0.000 0.498 52 D N 0.247 120.881 120.400 0.390 0.000 2.172 52 D HA -0.230 4.410 4.640 -0.000 0.000 0.196 52 D C 0.340 176.715 176.300 0.125 0.000 0.999 52 D CA 1.568 55.719 54.000 0.251 0.000 0.856 52 D CB -0.404 40.473 40.800 0.128 0.000 0.934 52 D HN 0.587 nan 8.370 nan 0.000 0.453 53 N N 0.167 118.914 118.700 0.079 0.000 2.546 53 N HA 0.185 4.925 4.740 -0.000 0.000 0.286 53 N C -0.322 175.195 175.510 0.011 0.000 1.259 53 N CA -0.332 52.742 53.050 0.039 0.000 0.939 53 N CB 0.847 39.356 38.487 0.037 0.000 1.243 53 N HN 0.108 nan 8.380 nan 0.000 0.511 54 I N 0.069 120.622 120.570 -0.028 0.000 2.575 54 I HA 0.031 4.201 4.170 -0.000 0.000 0.285 54 I C 0.482 176.573 176.117 -0.044 0.000 1.085 54 I CA -0.047 61.221 61.300 -0.054 0.000 1.403 54 I CB 0.549 38.454 38.000 -0.157 0.000 1.409 54 I HN 0.056 nan 8.210 nan 0.000 0.557 55 D N 5.990 126.378 120.400 -0.020 0.000 2.280 55 D HA 0.315 4.955 4.640 -0.000 0.000 0.243 55 D C 0.627 176.911 176.300 -0.027 0.000 1.129 55 D CA -0.094 53.900 54.000 -0.010 0.000 0.848 55 D CB 1.369 42.179 40.800 0.017 0.000 1.107 55 D HN 0.385 nan 8.370 nan 0.000 0.471 56 I N 1.792 122.343 120.570 -0.032 0.000 3.526 56 I HA 0.004 4.174 4.170 -0.000 0.000 0.294 56 I C 0.932 177.102 176.117 0.087 0.000 1.229 56 I CA -0.158 61.120 61.300 -0.036 0.000 1.408 56 I CB -0.067 37.836 38.000 -0.162 0.000 1.127 56 I HN 0.396 nan 8.210 nan 0.000 0.439 57 Q N 0.948 120.793 119.800 0.075 0.000 0.431 57 Q HA -0.180 4.160 4.340 -0.000 0.000 0.333 57 Q C -0.171 175.935 176.000 0.177 0.000 1.085 57 Q CA 0.731 56.594 55.803 0.100 0.000 0.268 57 Q CB -0.437 28.354 28.738 0.088 0.000 5.583 57 Q HN 0.378 nan 8.270 nan 0.000 0.319 58 R N -0.014 120.567 120.500 0.135 0.000 2.357 58 R HA 0.479 4.819 4.340 -0.000 0.000 0.296 58 R C 0.237 176.574 176.300 0.062 0.000 1.052 58 R CA 0.376 56.560 56.100 0.140 0.000 0.988 58 R CB 0.975 31.314 30.300 0.064 0.000 1.025 58 R HN 0.522 nan 8.270 nan 0.000 0.469 59 G N 1.743 110.460 108.800 -0.138 0.000 2.425 59 G HA2 0.378 4.338 3.960 -0.000 0.000 0.302 59 G HA3 0.378 4.338 3.960 -0.000 0.000 0.302 59 G C -0.676 173.938 174.900 -0.476 0.000 1.159 59 G CA -0.764 43.818 45.100 -0.863 0.000 0.865 59 G HN 0.621 nan 8.290 nan 0.000 0.515 60 R N 0.239 120.526 120.500 -0.355 0.000 2.732 60 R HA 0.634 4.974 4.340 -0.000 0.000 0.278 60 R C -0.572 175.633 176.300 -0.157 0.000 0.976 60 R CA -0.913 55.079 56.100 -0.181 0.000 0.963 60 R CB 1.514 31.749 30.300 -0.108 0.000 1.150 60 R HN 0.334 nan 8.270 nan 0.000 0.478 61 I N 3.780 124.302 120.570 -0.079 0.000 2.352 61 I HA 0.123 4.293 4.170 -0.000 0.000 0.290 61 I C 0.549 176.641 176.117 -0.041 0.000 1.036 61 I CA -0.654 60.621 61.300 -0.041 0.000 1.336 61 I CB 0.719 38.700 38.000 -0.032 0.000 1.407 61 I HN 0.449 nan 8.210 nan 0.000 0.497 62 L N 8.203 129.408 121.223 -0.030 0.000 2.483 62 L HA 0.089 4.429 4.340 -0.000 0.000 0.277 62 L C -1.902 174.952 176.870 -0.025 0.000 1.248 62 L CA -0.931 53.895 54.840 -0.023 0.000 0.825 62 L CB 0.107 42.161 42.059 -0.008 0.000 1.096 62 L HN 0.468 nan 8.230 nan 0.000 0.512 63 P HA 0.296 nan 4.420 nan 0.000 0.202 63 P C -0.336 176.951 177.300 -0.022 0.000 1.871 63 P CA -0.161 62.924 63.100 -0.025 0.000 1.068 63 P CB 1.277 32.963 31.700 -0.023 0.000 1.818 64 T N -1.802 112.739 114.554 -0.022 0.000 3.312 64 T HA 0.072 4.422 4.350 -0.000 0.000 0.266 64 T C -0.421 174.267 174.700 -0.020 0.000 0.849 64 T CA 0.090 62.179 62.100 -0.019 0.000 0.897 64 T CB 0.317 69.177 68.868 -0.012 0.000 1.251 64 T HN 0.296 nan 8.240 nan 0.000 0.564 65 D N -0.387 120.003 120.400 -0.017 0.000 2.523 65 D HA 0.452 5.092 4.640 -0.000 0.000 0.236 65 D C 1.177 177.453 176.300 -0.040 0.000 1.094 65 D CA -0.294 53.698 54.000 -0.013 0.000 0.942 65 D CB 1.359 42.173 40.800 0.024 0.000 1.447 65 D HN 0.109 nan 8.370 nan 0.000 0.479 66 G N 0.018 108.766 108.800 -0.087 0.000 2.443 66 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.219 66 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.219 66 G C 0.559 175.397 174.900 -0.103 0.000 1.131 66 G CA 0.229 45.221 45.100 -0.180 0.000 0.775 66 G HN 0.506 nan 8.290 nan 0.000 0.547 67 S N 0.636 116.343 115.700 0.011 0.000 3.129 67 S HA 0.268 4.738 4.470 -0.000 0.000 0.371 67 S C 0.507 175.190 174.600 0.139 0.000 1.196 67 S CA 0.321 58.603 58.200 0.137 0.000 0.989 67 S CB 0.343 63.614 63.200 0.118 0.000 0.695 67 S HN 0.707 nan 8.310 nan 0.000 0.499 68 A N 3.214 126.182 122.820 0.247 0.000 2.324 68 A HA 0.623 4.943 4.320 -0.000 0.000 0.330 68 A C -0.034 177.447 177.584 -0.171 0.000 1.165 68 A CA -0.713 51.331 52.037 0.012 0.000 0.813 68 A CB 0.857 19.875 19.000 0.030 0.000 1.197 68 A HN 0.791 nan 8.150 nan 0.000 0.484 69 E N 1.782 121.802 120.200 -0.300 0.000 2.155 69 E HA 0.552 4.902 4.350 -0.000 0.000 0.264 69 E C -1.749 174.663 176.600 -0.312 0.000 0.886 69 E CA -0.331 55.956 56.400 -0.189 0.000 0.752 69 E CB 0.661 30.316 29.700 -0.075 0.000 1.133 69 E HN 0.473 nan 8.360 nan 0.000 0.414 70 F N 2.744 122.684 119.950 -0.017 0.000 2.450 70 F HA 0.302 4.829 4.527 -0.000 0.000 0.332 70 F C 0.771 176.549 175.800 -0.037 0.000 1.093 70 F CA -1.106 56.876 58.000 -0.029 0.000 1.003 70 F CB 1.044 40.015 39.000 -0.048 0.000 1.151 70 F HN 0.357 nan 8.300 nan 0.000 0.474 71 N N 2.427 121.212 118.700 0.142 0.000 3.083 71 N HA 0.139 4.879 4.740 -0.000 0.000 0.260 71 N C -1.095 174.445 175.510 0.051 0.000 1.163 71 N CA -0.119 52.970 53.050 0.066 0.000 1.060 71 N CB 0.313 38.826 38.487 0.042 0.000 1.345 71 N HN 0.358 nan 8.380 nan 0.000 0.515 72 V N 3.111 123.031 119.914 0.011 0.000 2.409 72 V HA -0.043 4.077 4.120 -0.000 0.000 0.270 72 V C 0.759 176.829 176.094 -0.040 0.000 1.019 72 V CA -0.087 62.181 62.300 -0.053 0.000 1.066 72 V CB -0.294 31.434 31.823 -0.159 0.000 1.021 72 V HN 0.414 nan 8.190 nan 0.000 0.476 73 K N 7.295 127.712 120.400 0.028 0.000 2.234 73 K HA 0.472 4.792 4.320 -0.000 0.000 0.282 73 K C -0.572 176.142 176.600 0.189 0.000 1.039 73 K CA -0.197 56.157 56.287 0.111 0.000 0.928 73 K CB 0.499 33.045 32.500 0.075 0.000 1.039 73 K HN 0.653 nan 8.250 nan 0.000 0.470 74 Y N 0.376 120.645 120.300 -0.052 0.000 2.889 74 Y HA 0.650 5.200 4.550 -0.000 0.000 0.317 74 Y C -1.092 174.787 175.900 -0.035 0.000 1.414 74 Y CA -1.703 56.364 58.100 -0.057 0.000 1.091 74 Y CB 1.312 39.721 38.460 -0.086 0.000 1.358 74 Y HN 0.490 nan 8.280 nan 0.000 0.487 75 R N 1.698 122.056 120.500 -0.238 0.000 2.626 75 R HA 0.844 5.184 4.340 -0.000 0.000 0.274 75 R C -2.129 173.986 176.300 -0.308 0.000 1.031 75 R CA -0.412 55.501 56.100 -0.313 0.000 0.898 75 R CB 2.321 32.560 30.300 -0.102 0.000 1.222 75 R HN 1.228 nan 8.270 nan 0.000 0.455 76 A N 2.370 125.018 122.820 -0.286 0.000 2.586 76 A HA 0.488 4.808 4.320 -0.000 0.000 0.290 76 A C -1.638 175.921 177.584 -0.042 0.000 1.086 76 A CA -0.616 51.336 52.037 -0.142 0.000 0.665 76 A CB 1.781 20.681 19.000 -0.167 0.000 1.279 76 A HN 0.360 nan 8.150 nan 0.000 0.423 77 V N 1.640 121.568 119.914 0.023 0.000 2.385 77 V HA 0.495 4.615 4.120 -0.000 0.000 0.269 77 V C 0.160 176.295 176.094 0.069 0.000 1.043 77 V CA 0.058 62.403 62.300 0.075 0.000 0.906 77 V CB 0.625 32.510 31.823 0.103 0.000 0.995 77 V HN 1.064 nan 8.190 nan 0.000 0.467 78 V N 3.161 123.139 119.914 0.106 0.000 3.158 78 V HA 0.811 4.931 4.120 -0.000 0.000 0.315 78 V C -0.831 175.334 176.094 0.119 0.000 1.148 78 V CA -1.088 61.276 62.300 0.107 0.000 1.042 78 V CB 2.111 34.013 31.823 0.132 0.000 1.101 78 V HN 0.717 nan 8.190 nan 0.000 0.448 79 F N 1.973 121.859 119.950 -0.105 0.000 2.722 79 F HA 0.716 5.243 4.527 -0.000 0.000 0.336 79 F C -1.183 174.593 175.800 -0.041 0.000 1.216 79 F CA -0.915 56.983 58.000 -0.171 0.000 1.065 79 F CB 1.621 40.081 39.000 -0.899 0.000 1.325 79 F HN 0.728 nan 8.300 nan 0.000 0.524 80 K N 7.421 127.603 120.400 -0.364 0.000 2.545 80 K HA 0.541 4.861 4.320 -0.000 0.000 0.252 80 K C -3.379 172.968 176.600 -0.422 0.000 0.948 80 K CA -1.773 54.145 56.287 -0.615 0.000 0.827 80 K CB 2.208 34.441 32.500 -0.445 0.000 1.128 80 K HN 0.389 nan 8.250 nan 0.000 0.429 81 P HA 0.158 nan 4.420 nan 0.000 0.272 81 P C -0.864 176.411 177.300 -0.042 0.000 1.248 81 P CA -0.046 63.069 63.100 0.025 0.000 0.799 81 P CB 0.324 32.018 31.700 -0.010 0.000 0.997 82 F N -2.197 117.783 119.950 0.050 0.000 2.662 82 F HA 0.388 4.915 4.527 0.000 0.000 0.312 82 F C 0.574 176.398 175.800 0.041 0.000 1.113 82 F CA -0.953 57.069 58.000 0.037 0.000 0.951 82 F CB 1.422 40.458 39.000 0.060 0.000 1.344 82 F HN 0.026 nan 8.300 nan 0.000 0.462 83 K N 0.250 120.795 120.400 0.241 0.000 2.270 83 K HA 0.501 4.821 4.320 -0.000 0.000 0.276 83 K C 0.617 177.299 176.600 0.137 0.000 1.023 83 K CA 0.302 56.674 56.287 0.142 0.000 0.955 83 K CB 0.642 33.199 32.500 0.095 0.000 0.975 83 K HN 0.920 nan 8.250 nan 0.000 0.471 84 G N 1.435 110.293 108.800 0.097 0.000 2.176 84 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.252 84 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.252 84 G C -0.154 174.788 174.900 0.070 0.000 1.024 84 G CA 0.291 45.434 45.100 0.071 0.000 0.755 84 G HN 0.660 nan 8.290 nan 0.000 0.507 85 E N -0.680 119.581 120.200 0.102 0.000 2.235 85 E HA 0.661 5.011 4.350 -0.000 0.000 0.265 85 E C -0.576 176.076 176.600 0.087 0.000 0.940 85 E CA -0.896 55.562 56.400 0.096 0.000 0.819 85 E CB 2.025 31.828 29.700 0.171 0.000 1.206 85 E HN 0.204 nan 8.360 nan 0.000 0.409 86 V N 3.846 123.799 119.914 0.064 0.000 2.407 86 V HA 0.402 4.521 4.120 -0.000 0.000 0.291 86 V C -0.308 175.817 176.094 0.052 0.000 1.018 86 V CA -0.649 61.685 62.300 0.056 0.000 0.842 86 V CB 1.045 32.888 31.823 0.034 0.000 0.996 86 V HN 0.534 nan 8.190 nan 0.000 0.426 87 V N 1.137 121.089 119.914 0.065 0.000 3.078 87 V HA 0.900 5.020 4.120 -0.000 0.000 0.311 87 V C -1.568 174.549 176.094 0.038 0.000 1.138 87 V CA -0.945 61.383 62.300 0.046 0.000 1.007 87 V CB 2.617 34.486 31.823 0.078 0.000 1.045 87 V HN 0.780 nan 8.190 nan 0.000 0.432 88 D N 0.671 121.075 120.400 0.007 0.000 2.498 88 D HA 0.833 5.473 4.640 -0.000 0.000 0.247 88 D C 0.106 176.399 176.300 -0.012 0.000 1.070 88 D CA -0.154 53.847 54.000 0.001 0.000 0.842 88 D CB 1.777 42.570 40.800 -0.012 0.000 1.361 88 D HN 1.102 nan 8.370 nan 0.000 0.484 89 G N -0.308 108.490 108.800 -0.004 0.000 2.870 89 G HA2 0.599 4.559 3.960 -0.000 0.000 0.299 89 G HA3 0.599 4.559 3.960 -0.000 0.000 0.299 89 G C -1.160 173.728 174.900 -0.019 0.000 1.324 89 G CA -0.848 44.246 45.100 -0.009 0.000 0.808 89 G HN 0.387 nan 8.290 nan 0.000 0.535 90 T N 0.724 115.270 114.554 -0.013 0.000 2.795 90 T HA 0.503 4.853 4.350 -0.000 0.000 0.282 90 T C 0.428 175.118 174.700 -0.016 0.000 0.980 90 T CA -0.250 61.834 62.100 -0.026 0.000 1.012 90 T CB 1.568 70.425 68.868 -0.017 0.000 0.936 90 T HN 0.430 nan 8.240 nan 0.000 0.457 91 V N 3.959 123.836 119.914 -0.062 0.000 2.843 91 V HA 0.108 4.228 4.120 -0.000 0.000 0.305 91 V C 0.982 177.083 176.094 0.011 0.000 1.065 91 V CA 0.144 62.414 62.300 -0.049 0.000 1.116 91 V CB 0.767 32.484 31.823 -0.177 0.000 0.968 91 V HN 0.816 nan 8.190 nan 0.000 0.487 92 V N 1.831 121.781 119.914 0.060 0.000 3.430 92 V HA 0.158 4.278 4.120 -0.000 0.000 0.211 92 V C 0.872 177.009 176.094 0.072 0.000 1.173 92 V CA 0.859 63.194 62.300 0.059 0.000 1.310 92 V CB 0.539 32.402 31.823 0.067 0.000 1.361 92 V HN 0.910 nan 8.190 nan 0.000 0.512 93 S N -0.154 115.598 115.700 0.087 0.000 2.693 93 S HA 0.602 5.072 4.470 -0.000 0.000 0.276 93 S C -0.594 174.092 174.600 0.144 0.000 1.192 93 S CA -0.299 57.951 58.200 0.085 0.000 0.994 93 S CB 1.698 64.918 63.200 0.033 0.000 1.012 93 S HN 0.809 nan 8.310 nan 0.000 0.550 94 C N 2.073 121.467 119.300 0.156 0.000 3.094 94 C HA 0.734 5.194 4.460 -0.000 0.000 0.414 94 C C -0.283 174.863 174.990 0.259 0.000 0.993 94 C CA 0.318 59.486 59.018 0.250 0.000 1.217 94 C CB 0.324 28.261 27.740 0.328 0.000 1.603 94 C HN 1.391 nan 8.230 nan 0.000 0.564 95 S N 3.954 119.773 115.700 0.198 0.000 2.900 95 S HA 0.480 4.950 4.470 -0.000 0.000 0.320 95 S C 0.628 175.015 174.600 -0.355 0.000 1.130 95 S CA -0.093 58.150 58.200 0.072 0.000 0.863 95 S CB 1.170 64.343 63.200 -0.044 0.000 1.295 95 S HN 0.956 nan 8.310 nan 0.000 0.596 96 Q N -0.358 119.008 119.800 -0.723 0.000 2.500 96 Q HA 0.012 4.352 4.340 -0.000 0.000 0.213 96 Q C 0.754 176.561 176.000 -0.322 0.000 0.974 96 Q CA 1.375 56.419 55.803 -1.265 0.000 0.918 96 Q CB -0.727 27.770 28.738 -0.402 0.000 0.980 96 Q HN 0.824 nan 8.270 nan 0.000 0.505 97 H N -0.550 118.371 119.070 -0.248 0.000 2.755 97 H HA 0.413 4.969 4.556 -0.000 0.000 0.273 97 H C 0.529 175.910 175.328 0.087 0.000 1.055 97 H CA -0.173 55.852 56.048 -0.038 0.000 1.191 97 H CB 1.306 31.105 29.762 0.061 0.000 1.536 97 H HN 0.387 nan 8.280 nan 0.000 0.529 98 G N 1.223 110.145 108.800 0.203 0.000 2.359 98 G HA2 0.038 3.998 3.960 -0.000 0.000 0.303 98 G HA3 0.038 3.998 3.960 -0.000 0.000 0.303 98 G C -1.523 173.447 174.900 0.116 0.000 1.293 98 G CA -0.703 44.396 45.100 -0.002 0.000 0.964 98 G HN 0.145 nan 8.290 nan 0.000 0.531 99 F N -0.844 119.155 119.950 0.082 0.000 2.575 99 F HA 0.926 5.452 4.527 -0.000 0.000 0.330 99 F C -0.183 175.783 175.800 0.277 0.000 1.056 99 F CA -1.912 56.146 58.000 0.096 0.000 0.964 99 F CB 2.068 41.029 39.000 -0.064 0.000 1.258 99 F HN 0.647 nan 8.300 nan 0.000 0.484 100 E N 1.663 122.183 120.200 0.533 0.000 2.185 100 E HA 0.564 4.914 4.350 -0.000 0.000 0.261 100 E C -1.627 175.171 176.600 0.330 0.000 0.879 100 E CA -0.763 55.898 56.400 0.434 0.000 0.756 100 E CB 1.887 31.711 29.700 0.206 0.000 1.152 100 E HN 0.656 nan 8.360 nan 0.000 0.416 101 V N 3.735 123.848 119.914 0.332 0.000 2.863 101 V HA 0.197 4.317 4.120 -0.000 0.000 0.307 101 V C 0.023 176.205 176.094 0.148 0.000 1.061 101 V CA -0.418 61.988 62.300 0.176 0.000 1.024 101 V CB 1.595 33.511 31.823 0.155 0.000 1.049 101 V HN 0.725 nan 8.190 nan 0.000 0.471 102 Q N 2.120 121.976 119.800 0.093 0.000 2.607 102 Q HA 0.397 4.737 4.340 -0.000 0.000 0.247 102 Q C -1.435 174.599 176.000 0.056 0.000 1.033 102 Q CA -0.342 55.513 55.803 0.086 0.000 0.769 102 Q CB 1.450 30.233 28.738 0.075 0.000 1.169 102 Q HN 0.614 nan 8.270 nan 0.000 0.508 103 V N 4.647 124.603 119.914 0.069 0.000 2.370 103 V HA 0.374 4.494 4.120 -0.000 0.000 0.257 103 V C 1.093 177.169 176.094 -0.030 0.000 1.064 103 V CA 1.050 63.367 62.300 0.027 0.000 0.975 103 V CB -0.269 31.600 31.823 0.077 0.000 1.067 103 V HN 1.016 nan 8.190 nan 0.000 0.485 104 G N 7.663 116.422 108.800 -0.069 0.000 2.550 104 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.277 104 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.277 104 G C -0.799 174.098 174.900 -0.005 0.000 1.190 104 G CA 0.204 45.244 45.100 -0.100 0.000 0.971 104 G HN 0.570 nan 8.290 nan 0.000 0.559 105 P HA 0.035 nan 4.420 nan 0.000 0.226 105 P C 1.213 178.579 177.300 0.110 0.000 1.153 105 P CA 1.503 64.685 63.100 0.137 0.000 0.777 105 P CB 0.105 31.968 31.700 0.272 0.000 0.794 106 M N 0.154 119.762 119.600 0.014 0.000 2.245 106 M HA 0.298 4.777 4.480 -0.000 0.000 0.292 106 M C -0.576 175.774 176.300 0.084 0.000 1.176 106 M CA -0.011 55.280 55.300 -0.014 0.000 1.035 106 M CB 1.142 33.736 32.600 -0.010 0.000 1.440 106 M HN -0.363 nan 8.290 nan 0.000 0.494 107 K N 2.254 122.715 120.400 0.102 0.000 2.640 107 K HA 0.442 4.762 4.320 -0.000 0.000 0.245 107 K C -1.816 174.941 176.600 0.261 0.000 0.962 107 K CA -0.595 55.812 56.287 0.200 0.000 0.896 107 K CB 2.091 34.755 32.500 0.273 0.000 1.147 107 K HN 0.508 nan 8.250 nan 0.000 0.445 108 V N 4.179 124.229 119.914 0.228 0.000 2.427 108 V HA 0.399 4.519 4.120 -0.000 0.000 0.286 108 V C -0.403 175.869 176.094 0.297 0.000 1.034 108 V CA -0.792 61.649 62.300 0.234 0.000 0.893 108 V CB 0.722 32.652 31.823 0.178 0.000 0.982 108 V HN 0.538 nan 8.190 nan 0.000 0.452 109 F N 5.773 125.778 119.950 0.092 0.000 2.492 109 F HA 0.793 5.320 4.527 -0.000 0.000 0.327 109 F C -0.520 175.243 175.800 -0.061 0.000 1.079 109 F CA -1.191 56.827 58.000 0.029 0.000 0.967 109 F CB 1.823 40.825 39.000 0.004 0.000 1.169 109 F HN 0.232 nan 8.300 nan 0.000 0.472 110 V N 4.444 123.895 119.914 -0.772 0.000 2.407 110 V HA 0.299 4.419 4.120 -0.000 0.000 0.291 110 V C -0.115 175.208 176.094 -1.285 0.000 1.018 110 V CA -0.806 60.902 62.300 -0.986 0.000 0.842 110 V CB 1.404 32.725 31.823 -0.837 0.000 0.996 110 V HN 0.910 nan 8.190 nan 0.000 0.426 111 T N 3.778 117.724 114.554 -1.012 0.000 2.932 111 T HA 0.025 4.375 4.350 -0.000 0.000 0.312 111 T C 1.272 175.708 174.700 -0.440 0.000 1.071 111 T CA -0.016 61.704 62.100 -0.633 0.000 1.128 111 T CB 0.700 69.369 68.868 -0.331 0.000 0.984 111 T HN 0.838 nan 8.240 nan 0.000 0.549 112 K N 1.305 121.505 120.400 -0.334 0.000 2.281 112 K HA -0.153 4.167 4.320 -0.000 0.000 0.203 112 K C 1.184 177.517 176.600 -0.446 0.000 1.046 112 K CA 1.645 57.732 56.287 -0.333 0.000 0.938 112 K CB -0.054 32.211 32.500 -0.392 0.000 0.737 112 K HN 0.636 nan 8.250 nan 0.000 0.458 113 H N -0.746 118.266 119.070 -0.096 0.000 2.505 113 H HA 0.204 4.760 4.556 -0.000 0.000 0.286 113 H C 0.112 175.388 175.328 -0.088 0.000 1.072 113 H CA 0.037 56.042 56.048 -0.072 0.000 1.141 113 H CB 0.597 30.320 29.762 -0.065 0.000 1.550 113 H HN 0.088 nan 8.280 nan 0.000 0.547 114 L N 0.467 121.643 121.223 -0.079 0.000 2.906 114 L HA 0.250 4.590 4.340 -0.000 0.000 0.255 114 L C 0.419 177.239 176.870 -0.084 0.000 1.166 114 L CA 0.237 55.023 54.840 -0.089 0.000 0.977 114 L CB 0.190 42.150 42.059 -0.165 0.000 1.313 114 L HN 0.032 nan 8.230 nan 0.000 0.549 115 M N -0.861 118.696 119.600 -0.073 0.000 2.768 115 M HA 0.604 5.084 4.480 -0.000 0.000 0.274 115 M C -2.328 173.985 176.300 0.022 0.000 1.076 115 M CA -1.759 53.526 55.300 -0.025 0.000 0.928 115 M CB 0.107 32.690 32.600 -0.029 0.000 1.596 115 M HN -0.283 nan 8.290 nan 0.000 0.546 116 P HA 0.281 nan 4.420 nan 0.000 0.287 116 P C -0.929 176.410 177.300 0.066 0.000 1.270 116 P CA -0.279 62.851 63.100 0.050 0.000 0.844 116 P CB 1.443 33.171 31.700 0.046 0.000 1.068 117 Q N 0.706 120.542 119.800 0.060 0.000 2.050 117 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 117 Q C 1.326 177.364 176.000 0.063 0.000 0.980 117 Q CA 1.955 57.797 55.803 0.066 0.000 0.840 117 Q CB -0.526 28.245 28.738 0.055 0.000 0.898 117 Q HN 0.598 nan 8.270 nan 0.000 0.424 118 D N 0.214 120.645 120.400 0.052 0.000 2.387 118 D HA -0.095 4.545 4.640 -0.000 0.000 0.257 118 D C -0.406 175.933 176.300 0.065 0.000 1.198 118 D CA 0.286 54.315 54.000 0.047 0.000 0.945 118 D CB -0.076 40.744 40.800 0.034 0.000 0.907 118 D HN 0.071 nan 8.370 nan 0.000 0.518 119 L N 1.199 122.476 121.223 0.091 0.000 2.406 119 L HA 0.312 4.652 4.340 -0.000 0.000 0.270 119 L C -0.103 176.860 176.870 0.154 0.000 0.982 119 L CA -0.304 54.621 54.840 0.141 0.000 0.843 119 L CB 1.768 43.935 42.059 0.181 0.000 1.225 119 L HN 0.045 nan 8.230 nan 0.000 0.412 120 T N 0.953 115.568 114.554 0.101 0.000 2.876 120 T HA 0.613 4.963 4.350 -0.000 0.000 0.277 120 T C -0.490 174.104 174.700 -0.177 0.000 0.997 120 T CA -0.535 61.573 62.100 0.014 0.000 0.966 120 T CB 1.160 70.020 68.868 -0.013 0.000 1.312 120 T HN 0.307 nan 8.240 nan 0.000 0.598 121 F N 1.721 121.378 119.950 -0.487 0.000 2.467 121 F HA 0.625 5.152 4.527 -0.000 0.000 0.336 121 F C -0.617 174.962 175.800 -0.368 0.000 1.123 121 F CA -1.606 55.896 58.000 -0.830 0.000 0.964 121 F CB 1.191 39.743 39.000 -0.747 0.000 1.136 121 F HN 0.626 nan 8.300 nan 0.000 0.447 122 N N 4.638 122.833 118.700 -0.842 0.000 2.527 122 N HA 0.473 5.213 4.740 -0.000 0.000 0.236 122 N C 0.388 175.351 175.510 -0.911 0.000 0.999 122 N CA 0.283 52.936 53.050 -0.661 0.000 0.935 122 N CB 1.526 39.831 38.487 -0.303 0.000 1.132 122 N HN 0.747 nan 8.380 nan 0.000 0.511 123 A N 2.841 125.134 122.820 -0.877 0.000 1.854 123 A HA 0.082 4.402 4.320 -0.000 0.000 0.214 123 A C 1.567 178.994 177.584 -0.261 0.000 1.192 123 A CA 1.285 52.971 52.037 -0.585 0.000 0.611 123 A CB -0.974 17.851 19.000 -0.292 0.000 0.832 123 A HN 0.609 nan 8.150 nan 0.000 0.442 124 G N 0.754 109.437 108.800 -0.194 0.000 3.356 124 G HA2 0.340 4.300 3.960 -0.000 0.000 0.239 124 G HA3 0.340 4.300 3.960 -0.000 0.000 0.239 124 G C 0.402 175.244 174.900 -0.096 0.000 1.252 124 G CA 0.616 45.650 45.100 -0.109 0.000 1.611 124 G HN 0.721 nan 8.290 nan 0.000 0.580 125 S N -0.982 114.653 115.700 -0.107 0.000 2.621 125 S HA 0.581 5.051 4.470 -0.000 0.000 0.302 125 S C -0.622 173.962 174.600 -0.026 0.000 1.093 125 S CA -1.088 57.073 58.200 -0.066 0.000 1.017 125 S CB 2.435 65.589 63.200 -0.077 0.000 1.077 125 S HN 0.224 nan 8.310 nan 0.000 0.517 126 N N 1.687 120.382 118.700 -0.009 0.000 2.571 126 N HA 0.376 5.116 4.740 -0.000 0.000 0.286 126 N C -2.747 172.771 175.510 0.013 0.000 1.138 126 N CA -1.051 52.003 53.050 0.007 0.000 0.859 126 N CB 1.131 39.619 38.487 0.003 0.000 1.414 126 N HN 0.674 nan 8.380 nan 0.000 0.529 127 P HA 0.399 nan 4.420 nan 0.000 0.276 127 P C -2.881 174.453 177.300 0.056 0.000 1.252 127 P CA -1.137 61.988 63.100 0.041 0.000 0.802 127 P CB 0.178 31.906 31.700 0.047 0.000 1.035 128 P HA 0.004 nan 4.420 nan 0.000 0.263 128 P C -0.113 177.299 177.300 0.186 0.000 1.175 128 P CA 0.798 63.973 63.100 0.125 0.000 0.761 128 P CB 0.237 32.063 31.700 0.211 0.000 0.794 129 S N 1.662 117.467 115.700 0.175 0.000 2.727 129 S HA 0.626 5.096 4.470 -0.000 0.000 0.278 129 S C -1.818 173.001 174.600 0.364 0.000 1.186 129 S CA -0.692 57.679 58.200 0.286 0.000 0.836 129 S CB 0.904 64.192 63.200 0.146 0.000 1.186 129 S HN 0.186 nan 8.310 nan 0.000 0.499 130 Y N 0.950 121.350 120.300 0.167 0.000 2.338 130 Y HA 0.536 5.086 4.550 -0.000 0.000 0.333 130 Y C 0.279 176.238 175.900 0.099 0.000 0.968 130 Y CA -0.506 57.702 58.100 0.181 0.000 1.123 130 Y CB 1.908 40.528 38.460 0.266 0.000 1.165 130 Y HN 0.639 nan 8.280 nan 0.000 0.452 131 Q N 1.344 121.224 119.800 0.134 0.000 2.215 131 Q HA 0.662 5.002 4.340 -0.000 0.000 0.256 131 Q C -0.533 175.521 176.000 0.090 0.000 0.972 131 Q CA -0.554 55.300 55.803 0.086 0.000 0.889 131 Q CB 2.593 31.344 28.738 0.022 0.000 1.281 131 Q HN 0.709 nan 8.270 nan 0.000 0.456 132 S N -0.769 114.972 115.700 0.068 0.000 2.911 132 S HA 0.325 4.795 4.470 -0.000 0.000 0.319 132 S C 0.585 175.206 174.600 0.035 0.000 1.154 132 S CA -0.321 57.914 58.200 0.058 0.000 0.857 132 S CB 1.289 64.528 63.200 0.065 0.000 1.279 132 S HN 0.570 nan 8.310 nan 0.000 0.593 133 S N 1.044 116.760 115.700 0.028 0.000 2.357 133 S HA -0.028 4.442 4.470 -0.000 0.000 0.221 133 S C 1.266 175.874 174.600 0.015 0.000 1.031 133 S CA 1.557 59.767 58.200 0.018 0.000 0.982 133 S CB -0.372 62.836 63.200 0.014 0.000 0.853 133 S HN 0.770 nan 8.310 nan 0.000 0.458 134 E N -0.326 119.884 120.200 0.017 0.000 2.571 134 E HA 0.218 4.568 4.350 -0.000 0.000 0.222 134 E C -0.715 175.895 176.600 0.016 0.000 0.904 134 E CA -0.191 56.216 56.400 0.013 0.000 1.157 134 E CB 0.307 30.012 29.700 0.008 0.000 1.158 134 E HN 0.230 nan 8.360 nan 0.000 0.540 135 D N 1.280 121.695 120.400 0.025 0.000 2.228 135 D HA 0.414 5.054 4.640 -0.000 0.000 0.247 135 D C -0.766 175.560 176.300 0.044 0.000 0.995 135 D CA -0.581 53.437 54.000 0.030 0.000 0.903 135 D CB 3.031 43.852 40.800 0.036 0.000 1.205 135 D HN -0.144 nan 8.370 nan 0.000 0.459 136 V N 2.604 122.542 119.914 0.040 0.000 2.577 136 V HA 0.302 4.422 4.120 -0.000 0.000 0.294 136 V C -0.313 175.808 176.094 0.045 0.000 1.052 136 V CA -0.622 61.710 62.300 0.053 0.000 0.891 136 V CB 1.615 33.460 31.823 0.036 0.000 1.017 136 V HN 0.379 nan 8.190 nan 0.000 0.436 137 I N 4.444 125.061 120.570 0.077 0.000 2.354 137 I HA 0.736 4.906 4.170 -0.000 0.000 0.292 137 I C 0.477 176.632 176.117 0.064 0.000 0.989 137 I CA 0.128 61.440 61.300 0.020 0.000 1.188 137 I CB 1.960 39.935 38.000 -0.042 0.000 1.342 137 I HN 0.617 nan 8.210 nan 0.000 0.457 138 T N 3.869 118.429 114.554 0.010 0.000 2.570 138 T HA 0.464 4.814 4.350 -0.000 0.000 0.239 138 T C 1.281 175.985 174.700 0.007 0.000 0.829 138 T CA -0.602 61.529 62.100 0.051 0.000 1.264 138 T CB 0.468 69.369 68.868 0.056 0.000 1.546 138 T HN 0.291 nan 8.240 nan 0.000 0.465 139 I N 1.413 121.999 120.570 0.027 0.000 2.071 139 I HA -0.191 3.979 4.170 -0.000 0.000 0.214 139 I C 2.454 178.562 176.117 -0.015 0.000 1.020 139 I CA 1.235 62.545 61.300 0.016 0.000 1.334 139 I CB -0.413 37.602 38.000 0.026 0.000 1.073 139 I HN 0.467 nan 8.210 nan 0.000 0.388 140 K N 1.380 121.773 120.400 -0.011 0.000 2.286 140 K HA -0.106 4.214 4.320 -0.000 0.000 0.203 140 K C 0.909 177.484 176.600 -0.041 0.000 1.045 140 K CA 0.910 57.185 56.287 -0.020 0.000 0.935 140 K CB -1.010 31.483 32.500 -0.011 0.000 0.737 140 K HN 0.596 nan 8.250 nan 0.000 0.460 141 S N 2.131 117.797 115.700 -0.055 0.000 2.673 141 S HA -0.024 4.446 4.470 -0.000 0.000 0.308 141 S C 0.112 174.649 174.600 -0.105 0.000 1.246 141 S CA -0.211 57.942 58.200 -0.078 0.000 1.077 141 S CB 0.126 63.269 63.200 -0.095 0.000 0.814 141 S HN 0.127 nan 8.310 nan 0.000 0.503 142 R N 2.725 123.178 120.500 -0.079 0.000 2.267 142 R HA 0.461 4.801 4.340 -0.000 0.000 0.319 142 R C 0.035 176.282 176.300 -0.088 0.000 1.067 142 R CA -0.113 55.942 56.100 -0.075 0.000 0.936 142 R CB 0.313 30.584 30.300 -0.048 0.000 1.006 142 R HN 0.654 nan 8.270 nan 0.000 0.452 143 I N 1.770 122.279 120.570 -0.103 0.000 3.217 143 I HA 0.487 4.657 4.170 -0.000 0.000 0.308 143 I C 0.182 176.282 176.117 -0.028 0.000 1.091 143 I CA -1.243 60.004 61.300 -0.090 0.000 1.013 143 I CB 1.737 39.638 38.000 -0.164 0.000 1.250 143 I HN 0.430 nan 8.210 nan 0.000 0.496 144 R N 1.977 122.481 120.500 0.006 0.000 2.539 144 R HA 0.604 4.944 4.340 -0.000 0.000 0.295 144 R C -2.192 174.142 176.300 0.057 0.000 1.138 144 R CA -0.320 55.797 56.100 0.028 0.000 0.936 144 R CB 1.383 31.699 30.300 0.028 0.000 1.182 144 R HN 0.448 nan 8.270 nan 0.000 0.459 145 V N 3.123 123.080 119.914 0.072 0.000 2.975 145 V HA 0.462 4.582 4.120 -0.000 0.000 0.318 145 V C -0.324 175.817 176.094 0.078 0.000 1.077 145 V CA -0.905 61.449 62.300 0.090 0.000 1.000 145 V CB 1.976 33.872 31.823 0.121 0.000 1.066 145 V HN 0.656 nan 8.190 nan 0.000 0.452 146 K N 2.424 122.866 120.400 0.071 0.000 2.367 146 K HA 0.515 4.835 4.320 -0.000 0.000 0.263 146 K C -0.855 175.784 176.600 0.065 0.000 1.000 146 K CA -0.520 55.806 56.287 0.065 0.000 0.891 146 K CB 0.798 33.331 32.500 0.055 0.000 1.117 146 K HN 0.633 nan 8.250 nan 0.000 0.443 147 I N 5.480 126.100 120.570 0.083 0.000 2.483 147 I HA -0.055 4.115 4.170 -0.000 0.000 0.291 147 I C 1.232 177.392 176.117 0.072 0.000 1.112 147 I CA -0.165 61.187 61.300 0.087 0.000 1.350 147 I CB 0.647 38.719 38.000 0.121 0.000 1.419 147 I HN 0.723 nan 8.210 nan 0.000 0.523 148 E N 4.694 124.921 120.200 0.046 0.000 2.046 148 E HA 0.044 4.394 4.350 -0.000 0.000 0.190 148 E C 0.960 177.585 176.600 0.041 0.000 0.982 148 E CA 0.508 56.930 56.400 0.035 0.000 0.800 148 E CB 0.229 29.935 29.700 0.011 0.000 0.756 148 E HN 0.778 nan 8.360 nan 0.000 0.449 149 G N -0.755 108.070 108.800 0.041 0.000 2.718 149 G HA2 0.450 4.410 3.960 -0.000 0.000 0.295 149 G HA3 0.450 4.410 3.960 -0.000 0.000 0.295 149 G C -1.155 173.770 174.900 0.043 0.000 1.421 149 G CA -0.549 44.574 45.100 0.039 0.000 0.902 149 G HN 0.103 nan 8.290 nan 0.000 0.501 150 C N 0.232 119.547 119.300 0.025 0.000 2.493 150 C HA 0.774 5.234 4.460 -0.000 0.000 0.326 150 C C -0.171 174.828 174.990 0.015 0.000 1.200 150 C CA -0.521 58.505 59.018 0.013 0.000 1.739 150 C CB 0.557 28.272 27.740 -0.041 0.000 2.300 150 C HN 0.591 nan 8.230 nan 0.000 0.500 151 I N 2.657 123.249 120.570 0.038 0.000 2.517 151 I HA 0.248 4.418 4.170 -0.000 0.000 0.280 151 I C 0.354 176.499 176.117 0.046 0.000 1.061 151 I CA 0.153 61.479 61.300 0.044 0.000 1.091 151 I CB 1.220 39.265 38.000 0.074 0.000 1.205 151 I HN 0.735 nan 8.210 nan 0.000 0.459 152 S N 5.320 121.024 115.700 0.007 0.000 2.585 152 S HA 0.605 5.075 4.470 -0.000 0.000 0.273 152 S C -0.424 174.188 174.600 0.021 0.000 1.339 152 S CA -0.390 57.810 58.200 -0.000 0.000 1.028 152 S CB 1.803 64.981 63.200 -0.036 0.000 0.906 152 S HN 0.753 nan 8.310 nan 0.000 0.528 153 Q N 1.218 121.030 119.800 0.020 0.000 2.646 153 Q HA 0.359 4.699 4.340 -0.000 0.000 0.260 153 Q C -0.288 175.719 176.000 0.011 0.000 0.975 153 Q CA -0.573 55.248 55.803 0.029 0.000 0.936 153 Q CB 0.825 29.607 28.738 0.073 0.000 1.591 153 Q HN 0.781 nan 8.270 nan 0.000 0.412 154 V N 1.684 121.599 119.914 0.002 0.000 0.688 154 V HA -0.432 3.688 4.120 -0.000 0.000 0.092 154 V C 0.590 176.656 176.094 -0.047 0.000 0.817 154 V CA 2.553 64.846 62.300 -0.012 0.000 3.106 154 V CB -1.966 29.860 31.823 0.005 0.000 0.213 154 V HN 1.308 nan 8.190 nan 0.000 0.135 155 S N 0.245 115.904 115.700 -0.069 0.000 2.740 155 S HA 0.681 5.151 4.470 -0.000 0.000 0.244 155 S C -0.456 174.008 174.600 -0.227 0.000 1.101 155 S CA 0.423 58.536 58.200 -0.145 0.000 1.123 155 S CB 0.796 63.925 63.200 -0.119 0.000 1.012 155 S HN 2.107 nan 8.310 nan 0.000 0.491 156 S N 0.429 116.025 115.700 -0.174 0.000 2.567 156 S HA 0.763 5.233 4.470 -0.000 0.000 0.270 156 S C -1.324 173.255 174.600 -0.036 0.000 1.152 156 S CA -1.003 57.120 58.200 -0.128 0.000 0.835 156 S CB 0.777 63.948 63.200 -0.048 0.000 1.115 156 S HN 0.374 nan 8.310 nan 0.000 0.459 157 I N 2.411 123.014 120.570 0.055 0.000 2.478 157 I HA 0.445 4.615 4.170 -0.000 0.000 0.287 157 I C -0.595 175.404 176.117 -0.198 0.000 1.042 157 I CA -0.550 60.741 61.300 -0.015 0.000 1.067 157 I CB 1.696 39.736 38.000 0.067 0.000 1.233 157 I HN 0.654 nan 8.210 nan 0.000 0.431 158 H N 4.137 123.257 119.070 0.082 0.000 2.595 158 H HA 0.886 5.442 4.556 -0.000 0.000 0.346 158 H C -0.529 174.839 175.328 0.067 0.000 1.181 158 H CA -0.831 55.267 56.048 0.085 0.000 1.242 158 H CB 2.393 32.208 29.762 0.088 0.000 1.652 158 H HN 0.706 nan 8.280 nan 0.000 0.548 159 A N 1.384 124.337 122.820 0.222 0.000 2.605 159 A HA 0.512 4.831 4.320 -0.000 0.000 0.294 159 A C -1.238 176.431 177.584 0.142 0.000 1.062 159 A CA -0.628 51.494 52.037 0.142 0.000 0.682 159 A CB 1.173 20.231 19.000 0.095 0.000 1.278 159 A HN 0.520 nan 8.150 nan 0.000 0.410 160 I N 1.035 121.654 120.570 0.082 0.000 2.412 160 I HA 0.677 4.847 4.170 -0.000 0.000 0.296 160 I C 0.689 176.802 176.117 -0.006 0.000 0.987 160 I CA -0.546 60.761 61.300 0.012 0.000 1.180 160 I CB 2.181 40.161 38.000 -0.033 0.000 1.340 160 I HN 0.804 nan 8.210 nan 0.000 0.455 161 G N 2.688 111.461 108.800 -0.044 0.000 2.619 161 G HA2 0.645 4.605 3.960 -0.000 0.000 0.296 161 G HA3 0.645 4.605 3.960 -0.000 0.000 0.296 161 G C -1.101 173.763 174.900 -0.060 0.000 1.334 161 G CA -0.495 44.596 45.100 -0.015 0.000 0.934 161 G HN 0.648 nan 8.290 nan 0.000 0.476 162 S N -1.053 114.632 115.700 -0.024 0.000 2.664 162 S HA 0.716 5.186 4.470 -0.000 0.000 0.304 162 S C 0.345 174.955 174.600 0.016 0.000 1.099 162 S CA -0.721 57.460 58.200 -0.032 0.000 1.003 162 S CB 1.588 64.772 63.200 -0.025 0.000 1.092 162 S HN 1.207 nan 8.310 nan 0.000 0.525 163 I N -2.514 118.067 120.570 0.018 0.000 3.376 163 I HA 0.477 4.647 4.170 -0.000 0.000 0.326 163 I C 0.607 176.745 176.117 0.036 0.000 1.538 163 I CA -0.494 60.838 61.300 0.052 0.000 0.989 163 I CB 0.159 38.219 38.000 0.101 0.000 1.413 163 I HN 0.632 nan 8.210 nan 0.000 0.547 164 K N 1.203 121.615 120.400 0.021 0.000 2.361 164 K HA 0.178 4.498 4.320 -0.000 0.000 0.194 164 K C 0.814 177.425 176.600 0.017 0.000 1.032 164 K CA 0.127 56.425 56.287 0.017 0.000 1.048 164 K CB 0.568 33.075 32.500 0.010 0.000 0.842 164 K HN 0.379 nan 8.250 nan 0.000 0.526 165 E N 1.015 121.232 120.200 0.028 0.000 3.196 165 E HA 0.023 4.373 4.350 -0.000 0.000 0.268 165 E C -0.126 176.485 176.600 0.019 0.000 1.430 165 E CA 0.024 56.445 56.400 0.036 0.000 1.176 165 E CB 0.234 29.973 29.700 0.064 0.000 1.228 165 E HN 0.146 nan 8.360 nan 0.000 0.730 166 D N -0.969 119.449 120.400 0.029 0.000 2.506 166 D HA 0.096 4.736 4.640 -0.000 0.000 0.272 166 D C -0.044 176.264 176.300 0.013 0.000 1.214 166 D CA -0.353 53.584 54.000 -0.105 0.000 1.067 166 D CB 0.297 40.944 40.800 -0.255 0.000 1.117 166 D HN 0.373 nan 8.370 nan 0.000 0.578 167 Y N -1.277 119.029 120.300 0.010 0.000 3.944 167 Y HA -0.247 4.303 4.550 -0.000 0.000 0.212 167 Y C 0.050 175.955 175.900 0.010 0.000 1.107 167 Y CA 0.190 58.294 58.100 0.007 0.000 1.562 167 Y CB -1.667 36.794 38.460 0.003 0.000 1.480 167 Y HN 0.140 nan 8.280 nan 0.000 0.619 168 L N -0.470 120.810 121.223 0.095 0.000 2.356 168 L HA 0.784 5.124 4.340 -0.000 0.000 0.277 168 L C 0.749 177.650 176.870 0.052 0.000 0.996 168 L CA 0.173 55.060 54.840 0.079 0.000 0.822 168 L CB 1.973 44.078 42.059 0.077 0.000 1.256 168 L HN 0.326 nan 8.230 nan 0.000 0.413 169 G N 1.827 110.656 108.800 0.048 0.000 2.579 169 G HA2 0.395 4.355 3.960 -0.000 0.000 0.080 169 G HA3 0.395 4.355 3.960 -0.000 0.000 0.080 169 G C -1.376 173.528 174.900 0.007 0.000 1.040 169 G CA 0.179 45.300 45.100 0.036 0.000 1.118 169 G HN 0.745 nan 8.290 nan 0.000 0.485 170 A N -0.417 122.402 122.820 -0.002 0.000 2.239 170 A HA 0.936 5.256 4.320 -0.000 0.000 0.303 170 A C 0.240 177.820 177.584 -0.007 0.000 1.114 170 A CA 0.201 52.226 52.037 -0.019 0.000 0.871 170 A CB 0.108 19.096 19.000 -0.019 0.000 1.201 170 A HN 1.618 nan 8.150 nan 0.000 0.506 171 I N 0.000 120.562 120.570 -0.013 0.000 2.984 171 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 171 I CA 0.000 61.297 61.300 -0.005 0.000 1.566 171 I CB 0.000 37.996 38.000 -0.006 0.000 1.214 171 I HN 0.000 nan 8.210 nan 0.000 0.494