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 3hou_1_S 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 0.000 175.645 176.300 -1.092 0.000 1.140 1 M CA 0.000 55.081 55.300 -0.365 0.000 0.988 1 M CB 0.000 32.557 32.600 -0.071 0.000 1.302 2 F N 3.167 122.789 119.950 -0.545 0.000 2.413 2 F HA -0.058 4.469 4.527 0.000 0.000 0.416 2 F C -0.068 175.366 175.800 -0.611 0.000 0.949 2 F CA 1.240 59.020 58.000 -0.368 0.000 1.162 2 F CB -0.040 38.909 39.000 -0.085 0.000 0.897 2 F HN 0.109 nan 8.300 nan 0.000 0.540 3 F N 3.364 123.507 119.950 0.321 0.000 2.631 3 F HA 0.692 5.219 4.527 -0.000 0.000 0.350 3 F C -0.013 175.885 175.800 0.163 0.000 1.080 3 F CA -1.196 56.926 58.000 0.205 0.000 1.026 3 F CB 0.976 40.077 39.000 0.168 0.000 1.347 3 F HN -0.009 nan 8.300 nan 0.000 0.501 4 I N 1.705 122.461 120.570 0.310 0.000 2.517 4 I HA 0.269 4.439 4.170 -0.000 0.000 0.280 4 I C -0.960 175.235 176.117 0.130 0.000 1.061 4 I CA -0.611 60.786 61.300 0.162 0.000 1.091 4 I CB 1.723 39.780 38.000 0.095 0.000 1.205 4 I HN 0.413 nan 8.210 nan 0.000 0.459 5 K N 4.247 124.698 120.400 0.086 0.000 2.156 5 K HA 0.367 4.687 4.320 -0.000 0.000 0.254 5 K C -0.769 175.800 176.600 -0.053 0.000 0.950 5 K CA -0.454 55.858 56.287 0.043 0.000 0.849 5 K CB 1.174 33.720 32.500 0.078 0.000 1.100 5 K HN 0.263 nan 8.250 nan 0.000 0.434 6 D N 4.422 124.805 120.400 -0.027 0.000 2.411 6 D HA 0.211 4.851 4.640 -0.000 0.000 0.225 6 D C -0.253 176.014 176.300 -0.055 0.000 1.156 6 D CA 0.027 53.996 54.000 -0.050 0.000 0.874 6 D CB 0.350 41.150 40.800 -0.001 0.000 1.034 6 D HN 0.364 nan 8.370 nan 0.000 0.502 7 L N 0.802 121.936 121.223 -0.148 0.000 2.299 7 L HA 0.632 4.972 4.340 -0.000 0.000 0.268 7 L C 0.672 177.682 176.870 0.234 0.000 1.012 7 L CA -0.819 53.981 54.840 -0.066 0.000 0.816 7 L CB 1.422 43.326 42.059 -0.257 0.000 1.355 7 L HN 0.278 nan 8.230 nan 0.000 0.457 8 S N 0.271 116.117 115.700 0.244 0.000 2.596 8 S HA 0.826 5.295 4.470 -0.000 0.000 0.270 8 S C -1.456 173.135 174.600 -0.016 0.000 1.155 8 S CA -0.735 57.540 58.200 0.126 0.000 0.827 8 S CB 2.251 65.488 63.200 0.062 0.000 1.130 8 S HN 0.581 nan 8.310 nan 0.000 0.467 9 L N 1.045 122.179 121.223 -0.149 0.000 2.506 9 L HA 0.678 5.018 4.340 -0.000 0.000 0.257 9 L C -1.898 174.905 176.870 -0.111 0.000 0.964 9 L CA -0.403 54.342 54.840 -0.158 0.000 0.836 9 L CB 2.211 44.089 42.059 -0.300 0.000 1.384 9 L HN 0.858 nan 8.230 nan 0.000 0.410 10 N N 3.970 122.632 118.700 -0.063 0.000 2.421 10 N HA 0.615 5.355 4.740 -0.000 0.000 0.285 10 N C -1.258 174.238 175.510 -0.023 0.000 1.027 10 N CA -0.124 52.910 53.050 -0.026 0.000 0.918 10 N CB 1.914 40.396 38.487 -0.008 0.000 1.152 10 N HN 0.580 nan 8.380 nan 0.000 0.485 11 I N 0.932 121.514 120.570 0.020 0.000 2.498 11 I HA 0.174 4.344 4.170 -0.000 0.000 0.290 11 I C -0.057 176.127 176.117 0.110 0.000 1.032 11 I CA -0.509 60.811 61.300 0.032 0.000 1.073 11 I CB 2.292 40.284 38.000 -0.014 0.000 1.251 11 I HN 0.161 nan 8.210 nan 0.000 0.426 12 T N 6.975 121.578 114.554 0.082 0.000 2.781 12 T HA 0.393 4.743 4.350 -0.000 0.000 0.305 12 T C -0.283 174.525 174.700 0.181 0.000 1.001 12 T CA -0.245 61.923 62.100 0.113 0.000 0.950 12 T CB 0.284 69.199 68.868 0.078 0.000 0.955 12 T HN 0.282 nan 8.240 nan 0.000 0.471 13 L N 4.586 125.982 121.223 0.290 0.000 2.265 13 L HA 0.387 4.727 4.340 -0.000 0.000 0.288 13 L C 0.625 177.818 176.870 0.537 0.000 1.058 13 L CA -0.774 54.314 54.840 0.413 0.000 0.809 13 L CB 0.577 42.961 42.059 0.542 0.000 1.179 13 L HN 0.717 nan 8.230 nan 0.000 0.429 14 H N 6.611 125.938 119.070 0.429 0.000 2.895 14 H HA 0.053 4.609 4.556 -0.000 0.000 0.371 14 H C -1.925 173.603 175.328 0.333 0.000 1.219 14 H CA -0.544 55.712 56.048 0.347 0.000 1.431 14 H CB 0.914 30.905 29.762 0.382 0.000 1.414 14 H HN 0.373 nan 8.280 nan 0.000 0.617 15 P HA -0.120 nan 4.420 nan 0.000 0.225 15 P C 1.381 178.411 177.300 -0.449 0.000 1.156 15 P CA 1.669 64.088 63.100 -1.135 0.000 0.787 15 P CB 0.042 31.090 31.700 -1.085 0.000 0.802 16 S N -0.339 115.274 115.700 -0.145 0.000 2.365 16 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 16 S C 1.545 176.087 174.600 -0.096 0.000 1.039 16 S CA 1.315 59.467 58.200 -0.081 0.000 1.033 16 S CB -2.027 61.129 63.200 -0.073 0.000 0.887 16 S HN 0.052 nan 8.310 nan 0.000 0.447 17 F N 0.973 121.072 119.950 0.249 0.000 2.788 17 F HA 0.293 4.820 4.527 0.000 0.000 0.300 17 F C 0.460 176.466 175.800 0.344 0.000 1.229 17 F CA -0.277 57.852 58.000 0.215 0.000 1.446 17 F CB -0.715 38.402 39.000 0.195 0.000 1.118 17 F HN 0.108 nan 8.300 nan 0.000 0.579 18 F N 0.873 120.912 119.950 0.148 0.000 2.798 18 F HA 0.239 4.766 4.527 -0.000 0.000 0.324 18 F C 1.373 177.217 175.800 0.073 0.000 1.210 18 F CA -1.019 57.055 58.000 0.124 0.000 1.379 18 F CB -1.269 37.778 39.000 0.078 0.000 1.368 18 F HN -0.088 nan 8.300 nan 0.000 0.565 19 G N 1.075 110.001 108.800 0.210 0.000 2.630 19 G HA2 0.262 4.222 3.960 -0.000 0.000 0.223 19 G HA3 0.262 4.222 3.960 -0.000 0.000 0.223 19 G C -1.115 173.834 174.900 0.083 0.000 1.434 19 G CA -0.318 44.850 45.100 0.114 0.000 1.057 19 G HN 0.159 nan 8.290 nan 0.000 0.570 20 P HA 0.156 nan 4.420 nan 0.000 0.221 20 P C 0.693 178.018 177.300 0.041 0.000 1.152 20 P CA 0.179 63.305 63.100 0.042 0.000 0.851 20 P CB 0.633 32.353 31.700 0.033 0.000 0.833 21 R N 0.735 121.267 120.500 0.054 0.000 3.570 21 R HA 0.305 4.645 4.340 -0.000 0.000 0.233 21 R C 1.004 177.361 176.300 0.094 0.000 1.492 21 R CA -0.270 55.868 56.100 0.064 0.000 1.504 21 R CB -0.813 29.527 30.300 0.068 0.000 1.314 21 R HN 0.305 nan 8.270 nan 0.000 0.687 22 M N 0.580 120.217 119.600 0.063 0.000 2.553 22 M HA -0.023 4.457 4.480 -0.000 0.000 0.255 22 M C 1.773 178.062 176.300 -0.017 0.000 1.181 22 M CA 1.178 56.514 55.300 0.060 0.000 1.210 22 M CB 0.020 32.617 32.600 -0.005 0.000 1.280 22 M HN 0.192 nan 8.290 nan 0.000 0.495 23 K N 0.459 120.811 120.400 -0.080 0.000 2.107 23 K HA -0.325 3.995 4.320 -0.000 0.000 0.211 23 K C 1.992 178.551 176.600 -0.068 0.000 1.049 23 K CA 2.542 58.752 56.287 -0.130 0.000 0.927 23 K CB -0.296 32.153 32.500 -0.085 0.000 0.714 23 K HN 0.553 nan 8.250 nan 0.000 0.452 24 Q N -0.889 118.925 119.800 0.024 0.000 2.084 24 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 24 Q C 1.932 177.993 176.000 0.101 0.000 0.978 24 Q CA 1.704 57.557 55.803 0.084 0.000 0.844 24 Q CB -0.285 28.524 28.738 0.119 0.000 0.898 24 Q HN 0.499 nan 8.270 nan 0.000 0.426 25 Y N 0.429 120.712 120.300 -0.028 0.000 2.352 25 Y HA -0.122 4.428 4.550 0.000 0.000 0.292 25 Y C 1.537 177.357 175.900 -0.133 0.000 1.136 25 Y CA 1.093 59.161 58.100 -0.053 0.000 1.227 25 Y CB 0.027 38.477 38.460 -0.018 0.000 0.991 25 Y HN 0.130 nan 8.280 nan 0.000 0.545 26 L N -0.266 120.836 121.223 -0.202 0.000 1.973 26 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 26 L C 2.424 179.100 176.870 -0.323 0.000 1.073 26 L CA 1.600 56.239 54.840 -0.336 0.000 0.746 26 L CB -0.597 41.221 42.059 -0.401 0.000 0.891 26 L HN -0.012 nan 8.230 nan 0.000 0.433 27 K N -0.533 119.704 120.400 -0.271 0.000 2.189 27 K HA -0.217 4.103 4.320 -0.000 0.000 0.207 27 K C 1.955 178.407 176.600 -0.247 0.000 1.046 27 K CA 2.015 58.113 56.287 -0.315 0.000 0.928 27 K CB -0.376 31.909 32.500 -0.359 0.000 0.720 27 K HN 0.420 nan 8.250 nan 0.000 0.458 28 T N 0.861 115.304 114.554 -0.186 0.000 2.668 28 T HA -0.115 4.235 4.350 -0.000 0.000 0.258 28 T C 1.768 176.319 174.700 -0.248 0.000 1.051 28 T CA 1.173 63.183 62.100 -0.151 0.000 1.155 28 T CB -0.162 68.619 68.868 -0.145 0.000 0.864 28 T HN 0.067 nan 8.240 nan 0.000 0.413 29 K N 1.081 121.225 120.400 -0.426 0.000 2.059 29 K HA -0.115 4.205 4.320 -0.000 0.000 0.212 29 K C 2.046 178.487 176.600 -0.267 0.000 1.050 29 K CA 1.039 57.085 56.287 -0.402 0.000 0.927 29 K CB -1.021 31.174 32.500 -0.508 0.000 0.714 29 K HN 0.190 nan 8.250 nan 0.000 0.447 30 L N 0.724 121.779 121.223 -0.279 0.000 1.963 30 L HA -0.229 4.111 4.340 -0.000 0.000 0.220 30 L C 1.920 178.678 176.870 -0.187 0.000 1.076 30 L CA 1.921 56.594 54.840 -0.279 0.000 0.772 30 L CB -0.708 41.147 42.059 -0.340 0.000 0.892 30 L HN 0.281 nan 8.230 nan 0.000 0.435 31 L N -0.775 120.367 121.223 -0.136 0.000 2.081 31 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 31 L C 2.515 179.363 176.870 -0.036 0.000 1.080 31 L CA 1.826 56.639 54.840 -0.045 0.000 0.754 31 L CB -0.893 41.164 42.059 -0.003 0.000 0.893 31 L HN 0.442 nan 8.230 nan 0.000 0.433 32 E N 0.034 120.190 120.200 -0.074 0.000 2.072 32 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 32 E C 2.006 178.576 176.600 -0.051 0.000 0.985 32 E CA 1.021 57.387 56.400 -0.057 0.000 0.801 32 E CB -0.008 29.641 29.700 -0.085 0.000 0.750 32 E HN 0.519 nan 8.360 nan 0.000 0.452 33 E N -0.023 120.130 120.200 -0.078 0.000 2.371 33 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 33 E C 1.598 178.176 176.600 -0.036 0.000 1.012 33 E CA 0.198 56.560 56.400 -0.063 0.000 0.860 33 E CB 0.652 30.297 29.700 -0.091 0.000 0.811 33 E HN 0.051 nan 8.360 nan 0.000 0.502 34 V N 0.763 120.665 119.914 -0.020 0.000 2.735 34 V HA -0.036 4.084 4.120 -0.000 0.000 0.234 34 V C 0.489 176.626 176.094 0.072 0.000 1.121 34 V CA 0.254 62.581 62.300 0.046 0.000 1.160 34 V CB 0.078 31.975 31.823 0.123 0.000 0.908 34 V HN 0.095 nan 8.190 nan 0.000 0.495 35 E N 1.047 121.293 120.200 0.076 0.000 2.585 35 E HA 0.249 4.599 4.350 -0.000 0.000 0.252 35 E C 1.107 177.749 176.600 0.070 0.000 0.981 35 E CA 0.980 57.429 56.400 0.081 0.000 0.943 35 E CB 0.118 29.861 29.700 0.072 0.000 0.923 35 E HN 0.631 nan 8.360 nan 0.000 0.486 36 G N 2.880 111.736 108.800 0.093 0.000 2.213 36 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.236 36 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.236 36 G C 0.463 175.396 174.900 0.055 0.000 0.991 36 G CA 0.205 45.360 45.100 0.092 0.000 0.629 36 G HN 0.675 nan 8.290 nan 0.000 0.517 37 S N -1.031 114.692 115.700 0.037 0.000 2.608 37 S HA 0.643 5.113 4.470 -0.000 0.000 0.261 37 S C 0.215 174.775 174.600 -0.066 0.000 1.314 37 S CA 0.098 58.294 58.200 -0.007 0.000 0.992 37 S CB 2.106 65.315 63.200 0.016 0.000 0.935 37 S HN 1.365 nan 8.310 nan 0.000 0.564 38 C N 1.323 120.552 119.300 -0.118 0.000 2.985 38 C HA 0.899 5.359 4.460 -0.000 0.000 0.314 38 C C -0.568 174.371 174.990 -0.085 0.000 1.215 38 C CA 0.276 59.168 59.018 -0.210 0.000 1.414 38 C CB 1.090 28.515 27.740 -0.524 0.000 1.842 38 C HN 1.296 nan 8.230 nan 0.000 0.477 39 T N 0.363 114.895 114.554 -0.036 0.000 2.889 39 T HA 0.506 4.856 4.350 -0.000 0.000 0.315 39 T C 0.674 175.339 174.700 -0.058 0.000 1.291 39 T CA 0.193 62.290 62.100 -0.005 0.000 1.028 39 T CB 1.218 70.159 68.868 0.123 0.000 1.235 39 T HN 1.014 nan 8.240 nan 0.000 0.491 40 G N 0.407 109.151 108.800 -0.094 0.000 2.448 40 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.218 40 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.218 40 G C 1.170 175.957 174.900 -0.188 0.000 1.135 40 G CA 0.742 45.767 45.100 -0.126 0.000 0.784 40 G HN 0.871 nan 8.290 nan 0.000 0.543 41 K N -0.249 119.994 120.400 -0.261 0.000 1.978 41 K HA -0.073 4.247 4.320 -0.000 0.000 0.214 41 K C 1.618 177.829 176.600 -0.648 0.000 1.049 41 K CA 1.558 57.523 56.287 -0.538 0.000 0.939 41 K CB -0.234 31.784 32.500 -0.803 0.000 0.721 41 K HN 0.377 nan 8.250 nan 0.000 0.441 42 F N -0.278 119.648 119.950 -0.041 0.000 2.678 42 F HA 0.318 4.845 4.527 0.000 0.000 0.305 42 F C 1.109 176.901 175.800 -0.014 0.000 1.090 42 F CA 0.093 58.075 58.000 -0.030 0.000 1.272 42 F CB 0.680 39.681 39.000 0.002 0.000 1.060 42 F HN 0.363 nan 8.300 nan 0.000 0.576 43 G N 0.163 109.022 108.800 0.097 0.000 2.593 43 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.237 43 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.237 43 G C -0.914 174.100 174.900 0.189 0.000 1.312 43 G CA -0.906 44.245 45.100 0.085 0.000 0.896 43 G HN 0.073 nan 8.290 nan 0.000 0.574 44 Y N 0.138 120.510 120.300 0.121 0.000 2.465 44 Y HA 0.483 5.033 4.550 -0.000 0.000 0.331 44 Y C 1.395 177.402 175.900 0.178 0.000 1.102 44 Y CA 0.082 58.284 58.100 0.170 0.000 1.358 44 Y CB 0.678 39.292 38.460 0.256 0.000 1.213 44 Y HN 0.423 nan 8.280 nan 0.000 0.525 45 I N 6.206 126.932 120.570 0.258 0.000 2.291 45 I HA 0.037 4.207 4.170 -0.000 0.000 0.292 45 I C 0.524 176.756 176.117 0.192 0.000 1.064 45 I CA 0.210 61.618 61.300 0.180 0.000 1.269 45 I CB 0.689 38.750 38.000 0.100 0.000 1.418 45 I HN 0.756 nan 8.210 nan 0.000 0.485 46 L N 5.564 126.906 121.223 0.198 0.000 2.189 46 L HA 0.147 4.487 4.340 -0.000 0.000 0.199 46 L C 0.627 177.565 176.870 0.112 0.000 1.074 46 L CA 0.819 55.758 54.840 0.166 0.000 0.783 46 L CB 0.203 42.371 42.059 0.180 0.000 0.955 46 L HN 0.509 nan 8.230 nan 0.000 0.460 47 C N 0.120 119.477 119.300 0.094 0.000 2.551 47 C HA 0.502 4.962 4.460 -0.000 0.000 0.332 47 C C -0.128 174.890 174.990 0.046 0.000 1.139 47 C CA -0.975 58.085 59.018 0.069 0.000 1.328 47 C CB 1.248 29.020 27.740 0.054 0.000 1.903 47 C HN 0.014 nan 8.230 nan 0.000 0.459 48 V N 7.383 127.337 119.914 0.067 0.000 2.508 48 V HA 0.247 4.367 4.120 -0.000 0.000 0.281 48 V C 0.536 176.665 176.094 0.058 0.000 1.041 48 V CA 0.209 62.549 62.300 0.066 0.000 1.016 48 V CB 0.526 32.438 31.823 0.149 0.000 0.984 48 V HN 0.695 nan 8.190 nan 0.000 0.478 49 L N 2.666 123.903 121.223 0.023 0.000 2.440 49 L HA 0.486 4.826 4.340 -0.000 0.000 0.262 49 L C 0.979 177.885 176.870 0.059 0.000 1.072 49 L CA -0.709 54.154 54.840 0.038 0.000 0.798 49 L CB 0.212 42.278 42.059 0.012 0.000 1.307 49 L HN 0.641 nan 8.230 nan 0.000 0.475 50 D N -0.353 120.086 120.400 0.065 0.000 2.706 50 D HA -0.309 4.331 4.640 -0.000 0.000 0.230 50 D C 0.893 177.265 176.300 0.120 0.000 1.184 50 D CA 0.805 54.852 54.000 0.077 0.000 0.628 50 D CB -0.729 40.099 40.800 0.046 0.000 1.019 50 D HN 0.579 nan 8.370 nan 0.000 0.415 51 Y N 0.362 120.672 120.300 0.017 0.000 2.096 51 Y HA -0.377 4.173 4.550 0.000 0.000 0.276 51 Y C 1.924 177.828 175.900 0.007 0.000 1.209 51 Y CA 2.416 60.525 58.100 0.015 0.000 1.137 51 Y CB 0.027 38.492 38.460 0.008 0.000 0.956 51 Y HN 0.174 nan 8.280 nan 0.000 0.506 52 D N -0.025 120.590 120.400 0.358 0.000 2.123 52 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 52 D C 0.530 176.891 176.300 0.102 0.000 0.992 52 D CA 1.714 55.860 54.000 0.244 0.000 0.833 52 D CB -0.508 40.378 40.800 0.143 0.000 0.954 52 D HN 0.611 nan 8.370 nan 0.000 0.455 53 N N 0.560 119.296 118.700 0.059 0.000 2.575 53 N HA 0.166 4.906 4.740 -0.000 0.000 0.275 53 N C -0.238 175.269 175.510 -0.004 0.000 1.202 53 N CA -0.213 52.852 53.050 0.023 0.000 0.945 53 N CB 0.696 39.199 38.487 0.026 0.000 1.247 53 N HN 0.131 nan 8.380 nan 0.000 0.510 54 I N 0.705 121.247 120.570 -0.046 0.000 2.505 54 I HA -0.014 4.156 4.170 -0.000 0.000 0.287 54 I C 0.580 176.656 176.117 -0.068 0.000 1.104 54 I CA -0.127 61.129 61.300 -0.073 0.000 1.387 54 I CB 0.236 38.129 38.000 -0.178 0.000 1.404 54 I HN 0.074 nan 8.210 nan 0.000 0.528 55 D N 6.946 127.324 120.400 -0.036 0.000 2.382 55 D HA 0.036 4.676 4.640 -0.000 0.000 0.259 55 D C 0.608 176.876 176.300 -0.054 0.000 1.224 55 D CA 0.375 54.358 54.000 -0.030 0.000 0.894 55 D CB 1.127 41.925 40.800 -0.002 0.000 1.127 55 D HN 0.561 nan 8.370 nan 0.000 0.487 56 I N 2.563 123.094 120.570 -0.065 0.000 3.081 56 I HA -0.043 4.127 4.170 -0.000 0.000 0.274 56 I C 0.452 176.578 176.117 0.015 0.000 1.178 56 I CA 0.249 61.494 61.300 -0.090 0.000 1.460 56 I CB 0.055 37.943 38.000 -0.187 0.000 1.137 56 I HN 0.535 nan 8.210 nan 0.000 0.443 57 Q N 0.944 120.761 119.800 0.028 0.000 0.317 57 Q HA -0.208 4.132 4.340 -0.000 0.000 0.301 57 Q C -0.374 175.707 176.000 0.135 0.000 1.090 57 Q CA 0.821 56.663 55.803 0.065 0.000 0.217 57 Q CB -0.578 28.197 28.738 0.062 0.000 5.644 57 Q HN 0.436 nan 8.270 nan 0.000 0.298 58 R N 0.250 120.813 120.500 0.104 0.000 2.265 58 R HA 0.433 4.773 4.340 -0.000 0.000 0.314 58 R C 0.233 176.566 176.300 0.055 0.000 1.053 58 R CA 0.336 56.500 56.100 0.107 0.000 0.931 58 R CB 0.980 31.303 30.300 0.039 0.000 1.024 58 R HN 0.526 nan 8.270 nan 0.000 0.457 59 G N 2.368 111.141 108.800 -0.046 0.000 2.444 59 G HA2 0.247 4.207 3.960 -0.000 0.000 0.268 59 G HA3 0.247 4.207 3.960 -0.000 0.000 0.268 59 G C -0.355 174.289 174.900 -0.427 0.000 1.203 59 G CA -0.673 44.032 45.100 -0.658 0.000 0.835 59 G HN 0.619 nan 8.290 nan 0.000 0.543 60 R N 1.152 121.460 120.500 -0.320 0.000 2.536 60 R HA 0.587 4.927 4.340 -0.000 0.000 0.279 60 R C -0.576 175.621 176.300 -0.171 0.000 1.001 60 R CA -0.876 55.118 56.100 -0.177 0.000 1.027 60 R CB 1.297 31.535 30.300 -0.103 0.000 1.096 60 R HN 0.318 nan 8.270 nan 0.000 0.502 61 I N 3.962 124.483 120.570 -0.082 0.000 2.312 61 I HA 0.103 4.273 4.170 -0.000 0.000 0.291 61 I C 0.353 176.458 176.117 -0.021 0.000 1.031 61 I CA -0.862 60.423 61.300 -0.024 0.000 1.293 61 I CB 1.187 39.204 38.000 0.028 0.000 1.403 61 I HN 0.483 nan 8.210 nan 0.000 0.484 62 L N 9.402 130.616 121.223 -0.015 0.000 2.554 62 L HA 0.005 4.345 4.340 -0.000 0.000 0.293 62 L C -1.394 175.470 176.870 -0.010 0.000 1.252 62 L CA -0.055 54.778 54.840 -0.011 0.000 0.862 62 L CB -0.064 41.995 42.059 -0.000 0.000 1.113 62 L HN 0.477 nan 8.230 nan 0.000 0.510 63 P HA 0.165 nan 4.420 nan 0.000 0.266 63 P C 0.426 177.720 177.300 -0.010 0.000 1.561 63 P CA 0.038 63.132 63.100 -0.010 0.000 1.089 63 P CB 0.727 32.421 31.700 -0.009 0.000 1.534 64 T N -1.681 112.868 114.554 -0.009 0.000 3.115 64 T HA 0.066 4.416 4.350 -0.000 0.000 0.256 64 T C 0.577 175.269 174.700 -0.013 0.000 0.970 64 T CA 0.229 62.323 62.100 -0.009 0.000 1.010 64 T CB 0.148 69.014 68.868 -0.003 0.000 1.151 64 T HN 0.283 nan 8.240 nan 0.000 0.479 65 D N 0.496 120.890 120.400 -0.011 0.000 2.385 65 D HA 0.383 5.023 4.640 -0.000 0.000 0.254 65 D C 0.523 176.797 176.300 -0.044 0.000 1.053 65 D CA -0.598 53.391 54.000 -0.019 0.000 0.992 65 D CB 1.874 42.679 40.800 0.009 0.000 1.145 65 D HN 0.215 nan 8.370 nan 0.000 0.523 66 G N -0.246 108.495 108.800 -0.098 0.000 3.284 66 G HA2 0.074 4.034 3.960 -0.000 0.000 0.236 66 G HA3 0.074 4.034 3.960 -0.000 0.000 0.236 66 G C 0.400 175.229 174.900 -0.119 0.000 1.158 66 G CA -0.344 44.678 45.100 -0.130 0.000 0.774 66 G HN 0.375 nan 8.290 nan 0.000 0.545 67 S N 0.030 115.703 115.700 -0.045 0.000 2.576 67 S HA 0.512 4.982 4.470 -0.000 0.000 0.272 67 S C 0.572 175.273 174.600 0.168 0.000 1.352 67 S CA 0.182 58.439 58.200 0.095 0.000 1.021 67 S CB 1.236 64.507 63.200 0.119 0.000 0.887 67 S HN 0.596 nan 8.310 nan 0.000 0.542 68 A N 1.210 124.183 122.820 0.255 0.000 2.337 68 A HA 0.679 4.999 4.320 -0.000 0.000 0.331 68 A C -0.423 177.020 177.584 -0.235 0.000 1.137 68 A CA -0.666 51.328 52.037 -0.072 0.000 0.807 68 A CB 0.977 19.786 19.000 -0.318 0.000 1.250 68 A HN 0.780 nan 8.150 nan 0.000 0.468 69 E N 1.106 121.075 120.200 -0.385 0.000 2.216 69 E HA 0.570 4.920 4.350 -0.000 0.000 0.260 69 E C -1.833 174.546 176.600 -0.369 0.000 0.880 69 E CA -0.313 55.940 56.400 -0.245 0.000 0.765 69 E CB 0.767 30.405 29.700 -0.103 0.000 1.174 69 E HN 0.462 nan 8.360 nan 0.000 0.417 70 F N 2.622 122.547 119.950 -0.042 0.000 2.458 70 F HA 0.336 4.863 4.527 -0.000 0.000 0.330 70 F C 0.487 176.246 175.800 -0.068 0.000 1.082 70 F CA -1.109 56.855 58.000 -0.060 0.000 0.995 70 F CB 1.205 40.155 39.000 -0.083 0.000 1.170 70 F HN 0.381 nan 8.300 nan 0.000 0.478 71 N N 1.697 120.473 118.700 0.126 0.000 2.589 71 N HA 0.295 5.035 4.740 -0.000 0.000 0.232 71 N C -1.438 174.079 175.510 0.012 0.000 1.015 71 N CA -0.267 52.808 53.050 0.041 0.000 0.931 71 N CB 0.678 39.179 38.487 0.022 0.000 1.150 71 N HN 0.355 nan 8.380 nan 0.000 0.512 72 V N 4.033 123.916 119.914 -0.052 0.000 2.403 72 V HA 0.082 4.202 4.120 -0.000 0.000 0.265 72 V C 0.692 176.714 176.094 -0.120 0.000 1.034 72 V CA -0.145 62.078 62.300 -0.128 0.000 1.036 72 V CB -0.180 31.493 31.823 -0.251 0.000 1.032 72 V HN 0.501 nan 8.190 nan 0.000 0.478 73 K N 6.380 126.760 120.400 -0.034 0.000 2.284 73 K HA 0.412 4.732 4.320 -0.000 0.000 0.287 73 K C -0.332 176.345 176.600 0.128 0.000 1.081 73 K CA -0.184 56.135 56.287 0.053 0.000 0.910 73 K CB 0.581 33.106 32.500 0.042 0.000 1.088 73 K HN 0.816 nan 8.250 nan 0.000 0.478 74 Y N 0.495 120.753 120.300 -0.069 0.000 2.833 74 Y HA 0.653 5.203 4.550 -0.000 0.000 0.319 74 Y C -0.602 175.267 175.900 -0.052 0.000 1.254 74 Y CA -1.774 56.283 58.100 -0.072 0.000 1.138 74 Y CB 1.331 39.733 38.460 -0.096 0.000 1.352 74 Y HN 0.337 nan 8.280 nan 0.000 0.546 75 R N 1.554 121.970 120.500 -0.140 0.000 2.651 75 R HA 0.855 5.195 4.340 -0.000 0.000 0.278 75 R C -2.157 173.943 176.300 -0.332 0.000 1.010 75 R CA -0.473 55.477 56.100 -0.250 0.000 0.896 75 R CB 2.266 32.519 30.300 -0.079 0.000 1.211 75 R HN 1.120 nan 8.270 nan 0.000 0.456 76 A N 2.253 124.887 122.820 -0.311 0.000 2.588 76 A HA 0.546 4.866 4.320 -0.000 0.000 0.290 76 A C -1.614 175.939 177.584 -0.051 0.000 1.136 76 A CA -0.647 51.268 52.037 -0.203 0.000 0.681 76 A CB 1.902 20.706 19.000 -0.327 0.000 1.282 76 A HN 0.380 nan 8.150 nan 0.000 0.421 77 V N 1.606 121.534 119.914 0.022 0.000 2.364 77 V HA 0.504 4.624 4.120 -0.000 0.000 0.272 77 V C -0.063 176.155 176.094 0.207 0.000 1.036 77 V CA -0.008 62.365 62.300 0.122 0.000 0.880 77 V CB 0.786 32.672 31.823 0.104 0.000 0.991 77 V HN 1.018 nan 8.190 nan 0.000 0.460 78 V N 3.122 123.215 119.914 0.299 0.000 3.103 78 V HA 0.691 4.811 4.120 -0.000 0.000 0.318 78 V C -0.846 175.534 176.094 0.477 0.000 1.114 78 V CA -1.006 61.513 62.300 0.366 0.000 1.020 78 V CB 2.135 34.150 31.823 0.320 0.000 1.085 78 V HN 0.601 nan 8.190 nan 0.000 0.446 79 F N 1.673 121.726 119.950 0.171 0.000 2.810 79 F HA 0.591 5.118 4.527 0.000 0.000 0.373 79 F C -0.362 175.453 175.800 0.024 0.000 1.174 79 F CA -0.686 57.257 58.000 -0.095 0.000 1.141 79 F CB 0.875 39.633 39.000 -0.403 0.000 1.420 79 F HN 0.657 nan 8.300 nan 0.000 0.518 80 K N 8.071 128.385 120.400 -0.144 0.000 2.339 80 K HA 0.502 4.822 4.320 -0.000 0.000 0.264 80 K C -2.768 173.381 176.600 -0.751 0.000 0.986 80 K CA -2.193 53.853 56.287 -0.401 0.000 0.866 80 K CB 1.589 33.911 32.500 -0.297 0.000 1.103 80 K HN 0.245 nan 8.250 nan 0.000 0.441 81 P HA 0.223 nan 4.420 nan 0.000 0.275 81 P C -0.869 175.924 177.300 -0.846 0.000 1.266 81 P CA -0.179 62.528 63.100 -0.656 0.000 0.793 81 P CB 0.598 32.012 31.700 -0.477 0.000 1.074 82 F N -2.248 117.657 119.950 -0.075 0.000 2.662 82 F HA 0.405 4.932 4.527 -0.000 0.000 0.312 82 F C 0.589 176.375 175.800 -0.023 0.000 1.113 82 F CA -1.059 56.920 58.000 -0.035 0.000 0.951 82 F CB 1.683 40.680 39.000 -0.005 0.000 1.344 82 F HN 0.086 nan 8.300 nan 0.000 0.462 83 K N 0.494 121.010 120.400 0.194 0.000 2.322 83 K HA 0.475 4.795 4.320 -0.000 0.000 0.283 83 K C 0.797 177.455 176.600 0.098 0.000 1.042 83 K CA 0.882 57.231 56.287 0.103 0.000 0.958 83 K CB 0.612 33.156 32.500 0.073 0.000 0.984 83 K HN 0.921 nan 8.250 nan 0.000 0.473 84 G N 2.675 111.515 108.800 0.068 0.000 2.176 84 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.253 84 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.253 84 G C -0.128 174.807 174.900 0.059 0.000 0.979 84 G CA 0.427 45.557 45.100 0.051 0.000 0.641 84 G HN 0.710 nan 8.290 nan 0.000 0.530 85 E N 0.934 121.186 120.200 0.086 0.000 2.223 85 E HA 0.448 4.798 4.350 -0.000 0.000 0.282 85 E C 0.192 176.833 176.600 0.067 0.000 1.046 85 E CA -0.601 55.853 56.400 0.090 0.000 0.857 85 E CB 0.903 30.694 29.700 0.152 0.000 1.055 85 E HN 0.143 nan 8.360 nan 0.000 0.409 86 V N 5.836 125.786 119.914 0.059 0.000 2.488 86 V HA 0.261 4.381 4.120 -0.000 0.000 0.277 86 V C 0.205 176.335 176.094 0.060 0.000 1.046 86 V CA -0.250 62.084 62.300 0.055 0.000 0.986 86 V CB 0.755 32.611 31.823 0.055 0.000 0.989 86 V HN 0.557 nan 8.190 nan 0.000 0.475 87 V N 3.596 123.545 119.914 0.059 0.000 3.012 87 V HA 0.847 4.967 4.120 -0.000 0.000 0.307 87 V C -1.744 174.388 176.094 0.064 0.000 1.166 87 V CA -0.689 61.651 62.300 0.067 0.000 0.974 87 V CB 2.536 34.402 31.823 0.072 0.000 1.040 87 V HN 0.922 nan 8.190 nan 0.000 0.428 88 D N 3.142 123.581 120.400 0.065 0.000 2.498 88 D HA 0.875 5.515 4.640 -0.000 0.000 0.247 88 D C -0.012 176.322 176.300 0.056 0.000 1.070 88 D CA 0.169 54.205 54.000 0.059 0.000 0.842 88 D CB 1.807 42.636 40.800 0.049 0.000 1.361 88 D HN 1.177 nan 8.370 nan 0.000 0.484 89 G N 0.093 108.925 108.800 0.053 0.000 2.782 89 G HA2 0.543 4.503 3.960 -0.000 0.000 0.304 89 G HA3 0.543 4.503 3.960 -0.000 0.000 0.304 89 G C -1.089 173.832 174.900 0.035 0.000 1.315 89 G CA -0.726 44.399 45.100 0.042 0.000 0.791 89 G HN 0.476 nan 8.290 nan 0.000 0.519 90 T N 0.218 114.786 114.554 0.025 0.000 2.902 90 T HA 0.531 4.881 4.350 -0.000 0.000 0.283 90 T C 0.424 175.137 174.700 0.022 0.000 1.009 90 T CA -0.222 61.885 62.100 0.011 0.000 1.051 90 T CB 1.744 70.612 68.868 0.000 0.000 0.999 90 T HN 0.360 nan 8.240 nan 0.000 0.474 91 V N 3.155 123.060 119.914 -0.015 0.000 3.051 91 V HA 0.173 4.293 4.120 -0.000 0.000 0.306 91 V C 0.818 176.920 176.094 0.015 0.000 1.083 91 V CA 0.351 62.637 62.300 -0.023 0.000 1.104 91 V CB 1.389 33.093 31.823 -0.198 0.000 1.027 91 V HN 0.854 nan 8.190 nan 0.000 0.483 92 V N 0.646 120.597 119.914 0.062 0.000 3.359 92 V HA 0.190 4.310 4.120 -0.000 0.000 0.204 92 V C 0.305 176.453 176.094 0.090 0.000 1.410 92 V CA 0.667 63.008 62.300 0.067 0.000 1.303 92 V CB 0.760 32.630 31.823 0.078 0.000 1.198 92 V HN 0.840 nan 8.190 nan 0.000 0.531 93 S N 0.604 116.394 115.700 0.150 0.000 2.599 93 S HA 0.763 5.233 4.470 -0.000 0.000 0.294 93 S C -0.715 174.029 174.600 0.240 0.000 1.094 93 S CA -0.257 58.046 58.200 0.172 0.000 0.931 93 S CB 2.213 65.517 63.200 0.173 0.000 1.093 93 S HN 1.192 nan 8.310 nan 0.000 0.488 94 C N 0.157 119.595 119.300 0.229 0.000 2.871 94 C HA 0.882 5.342 4.460 -0.000 0.000 0.378 94 C C -0.070 175.062 174.990 0.236 0.000 1.052 94 C CA 0.040 59.215 59.018 0.262 0.000 1.250 94 C CB 0.556 28.440 27.740 0.240 0.000 1.689 94 C HN 1.279 nan 8.230 nan 0.000 0.506 95 S N 2.651 118.444 115.700 0.154 0.000 3.137 95 S HA 0.507 4.977 4.470 -0.000 0.000 0.292 95 S C 0.912 175.175 174.600 -0.562 0.000 1.041 95 S CA 0.271 58.447 58.200 -0.040 0.000 0.956 95 S CB 0.939 64.185 63.200 0.077 0.000 1.360 95 S HN 0.981 nan 8.310 nan 0.000 0.690 96 Q N -0.251 119.078 119.800 -0.785 0.000 2.331 96 Q HA 0.075 4.415 4.340 -0.000 0.000 0.203 96 Q C 1.364 177.027 176.000 -0.562 0.000 0.944 96 Q CA 0.789 55.967 55.803 -1.043 0.000 0.892 96 Q CB -0.489 27.864 28.738 -0.643 0.000 0.983 96 Q HN 0.782 nan 8.270 nan 0.000 0.482 97 H N 0.487 119.500 119.070 -0.094 0.000 2.497 97 H HA 0.362 4.918 4.556 -0.000 0.000 0.282 97 H C 1.055 176.265 175.328 -0.196 0.000 1.003 97 H CA 1.107 57.150 56.048 -0.008 0.000 1.307 97 H CB 0.800 30.628 29.762 0.110 0.000 1.437 97 H HN 0.406 nan 8.280 nan 0.000 0.544 98 G N 0.556 109.254 108.800 -0.171 0.000 2.343 98 G HA2 0.270 4.230 3.960 -0.000 0.000 0.289 98 G HA3 0.270 4.230 3.960 -0.000 0.000 0.289 98 G C -1.782 172.785 174.900 -0.556 0.000 1.295 98 G CA -0.536 44.205 45.100 -0.598 0.000 0.869 98 G HN 0.202 nan 8.290 nan 0.000 0.522 99 F N -0.966 118.567 119.950 -0.696 0.000 2.603 99 F HA 0.900 5.427 4.527 -0.000 0.000 0.317 99 F C -0.465 175.233 175.800 -0.170 0.000 1.066 99 F CA -1.607 56.202 58.000 -0.319 0.000 0.941 99 F CB 2.195 40.990 39.000 -0.343 0.000 1.291 99 F HN 0.609 nan 8.300 nan 0.000 0.472 100 E N 2.100 122.605 120.200 0.508 0.000 2.113 100 E HA 0.554 4.904 4.350 -0.000 0.000 0.273 100 E C -1.604 175.210 176.600 0.357 0.000 0.924 100 E CA -0.702 56.014 56.400 0.527 0.000 0.764 100 E CB 1.616 31.624 29.700 0.513 0.000 1.104 100 E HN 0.662 nan 8.360 nan 0.000 0.406 101 V N 4.123 124.208 119.914 0.285 0.000 2.716 101 V HA 0.191 4.311 4.120 -0.000 0.000 0.304 101 V C -0.050 176.109 176.094 0.109 0.000 1.053 101 V CA -0.493 61.924 62.300 0.196 0.000 0.984 101 V CB 1.628 33.564 31.823 0.188 0.000 1.021 101 V HN 0.728 nan 8.190 nan 0.000 0.467 102 Q N 2.530 122.369 119.800 0.066 0.000 2.425 102 Q HA 0.481 4.821 4.340 -0.000 0.000 0.254 102 Q C -1.569 174.434 176.000 0.005 0.000 1.032 102 Q CA -0.385 55.430 55.803 0.020 0.000 0.798 102 Q CB 1.553 30.296 28.738 0.008 0.000 1.210 102 Q HN 0.632 nan 8.270 nan 0.000 0.491 103 V N 4.589 124.509 119.914 0.009 0.000 2.318 103 V HA 0.576 4.696 4.120 -0.000 0.000 0.271 103 V C 0.989 177.050 176.094 -0.054 0.000 1.030 103 V CA 0.395 62.711 62.300 0.027 0.000 0.844 103 V CB 0.115 31.994 31.823 0.093 0.000 1.015 103 V HN 1.047 nan 8.190 nan 0.000 0.460 104 G N 7.547 116.249 108.800 -0.163 0.000 2.564 104 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.273 104 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.273 104 G C -0.957 173.685 174.900 -0.431 0.000 1.242 104 G CA 0.206 45.046 45.100 -0.432 0.000 0.951 104 G HN 0.590 nan 8.290 nan 0.000 0.564 105 P HA 0.038 nan 4.420 nan 0.000 0.230 105 P C 1.107 178.141 177.300 -0.444 0.000 1.158 105 P CA 1.430 64.211 63.100 -0.532 0.000 0.769 105 P CB 0.126 31.368 31.700 -0.764 0.000 0.807 106 M N -0.031 119.369 119.600 -0.332 0.000 2.527 106 M HA 0.360 4.840 4.480 -0.000 0.000 0.283 106 M C -0.741 175.497 176.300 -0.104 0.000 1.188 106 M CA -0.375 54.855 55.300 -0.116 0.000 0.941 106 M CB 1.587 34.223 32.600 0.059 0.000 1.498 106 M HN -0.367 nan 8.290 nan 0.000 0.510 107 K N 1.404 121.679 120.400 -0.208 0.000 2.443 107 K HA 0.587 4.907 4.320 -0.000 0.000 0.252 107 K C -1.709 174.662 176.600 -0.381 0.000 0.933 107 K CA -0.814 55.319 56.287 -0.256 0.000 0.792 107 K CB 2.581 34.925 32.500 -0.259 0.000 1.185 107 K HN 0.484 nan 8.250 nan 0.000 0.425 108 V N 2.575 122.444 119.914 -0.074 0.000 2.667 108 V HA 0.499 4.619 4.120 -0.000 0.000 0.308 108 V C -0.914 175.328 176.094 0.247 0.000 1.048 108 V CA -0.901 61.427 62.300 0.047 0.000 0.928 108 V CB 1.370 33.219 31.823 0.044 0.000 1.004 108 V HN 0.590 nan 8.190 nan 0.000 0.444 109 F N 3.218 123.214 119.950 0.076 0.000 2.507 109 F HA 0.714 5.241 4.527 -0.000 0.000 0.325 109 F C -0.238 175.486 175.800 -0.126 0.000 1.116 109 F CA -1.090 56.916 58.000 0.010 0.000 0.930 109 F CB 1.970 41.012 39.000 0.070 0.000 1.146 109 F HN 0.289 nan 8.300 nan 0.000 0.447 110 V N 3.115 122.603 119.914 -0.710 0.000 2.328 110 V HA 0.373 4.493 4.120 -0.000 0.000 0.278 110 V C 0.225 175.734 176.094 -0.975 0.000 1.021 110 V CA -0.730 61.115 62.300 -0.759 0.000 0.838 110 V CB 0.619 31.884 31.823 -0.929 0.000 0.999 110 V HN 0.792 nan 8.190 nan 0.000 0.447 111 T N 3.496 117.654 114.554 -0.660 0.000 2.851 111 T HA 0.205 4.555 4.350 -0.000 0.000 0.298 111 T C 1.162 175.429 174.700 -0.721 0.000 0.977 111 T CA -0.124 61.585 62.100 -0.651 0.000 1.126 111 T CB 0.819 69.437 68.868 -0.416 0.000 0.916 111 T HN 0.931 nan 8.240 nan 0.000 0.529 112 K N 3.483 123.462 120.400 -0.703 0.000 2.037 112 K HA -0.257 4.063 4.320 -0.000 0.000 0.229 112 K C 1.589 177.976 176.600 -0.355 0.000 1.040 112 K CA 2.510 58.552 56.287 -0.408 0.000 0.981 112 K CB -0.684 31.726 32.500 -0.151 0.000 0.749 112 K HN 0.856 nan 8.250 nan 0.000 0.451 113 H N -0.662 118.396 119.070 -0.021 0.000 2.573 113 H HA 0.041 4.597 4.556 0.000 0.000 0.279 113 H C 0.780 176.090 175.328 -0.031 0.000 1.066 113 H CA 0.604 56.645 56.048 -0.011 0.000 1.179 113 H CB -0.190 29.570 29.762 -0.003 0.000 1.303 113 H HN 0.127 nan 8.280 nan 0.000 0.626 114 L N -0.025 121.088 121.223 -0.184 0.000 2.906 114 L HA 0.281 4.621 4.340 -0.000 0.000 0.255 114 L C 0.365 177.160 176.870 -0.124 0.000 1.166 114 L CA 0.196 54.953 54.840 -0.138 0.000 0.977 114 L CB 0.298 42.235 42.059 -0.202 0.000 1.313 114 L HN 0.106 nan 8.230 nan 0.000 0.549 115 M N -0.025 119.515 119.600 -0.099 0.000 2.823 115 M HA 0.480 4.960 4.480 -0.000 0.000 0.282 115 M C -2.206 174.099 176.300 0.009 0.000 1.177 115 M CA -1.765 53.508 55.300 -0.045 0.000 0.871 115 M CB 0.916 33.511 32.600 -0.009 0.000 1.595 115 M HN -0.261 nan 8.290 nan 0.000 0.524 116 P HA 0.103 nan 4.420 nan 0.000 0.274 116 P C -0.817 176.514 177.300 0.052 0.000 1.246 116 P CA 0.026 63.149 63.100 0.038 0.000 0.795 116 P CB 0.767 32.493 31.700 0.043 0.000 1.006 117 Q N 0.571 120.397 119.800 0.044 0.000 2.020 117 Q HA -0.171 4.169 4.340 -0.000 0.000 0.198 117 Q C 1.698 177.729 176.000 0.051 0.000 0.974 117 Q CA 2.230 58.062 55.803 0.048 0.000 0.829 117 Q CB -0.586 28.174 28.738 0.036 0.000 0.894 117 Q HN 0.650 nan 8.270 nan 0.000 0.433 118 D N 0.169 120.594 120.400 0.042 0.000 2.354 118 D HA -0.150 4.490 4.640 -0.000 0.000 0.216 118 D C 0.272 176.604 176.300 0.053 0.000 0.970 118 D CA 0.277 54.300 54.000 0.039 0.000 0.905 118 D CB -0.062 40.756 40.800 0.031 0.000 0.903 118 D HN 0.025 nan 8.370 nan 0.000 0.508 119 L N 1.624 122.893 121.223 0.076 0.000 2.313 119 L HA 0.318 4.658 4.340 -0.000 0.000 0.282 119 L C 0.126 177.064 176.870 0.113 0.000 1.092 119 L CA -0.129 54.778 54.840 0.112 0.000 0.831 119 L CB 0.696 42.848 42.059 0.156 0.000 1.159 119 L HN 0.178 nan 8.230 nan 0.000 0.442 120 T N 2.333 116.934 114.554 0.079 0.000 2.937 120 T HA 0.549 4.899 4.350 -0.000 0.000 0.283 120 T C -0.489 174.177 174.700 -0.057 0.000 1.012 120 T CA -0.588 61.528 62.100 0.025 0.000 0.997 120 T CB 1.030 69.887 68.868 -0.018 0.000 1.136 120 T HN 0.402 nan 8.240 nan 0.000 0.551 121 F N 2.623 122.372 119.950 -0.336 0.000 2.375 121 F HA 0.545 5.072 4.527 -0.000 0.000 0.361 121 F C -0.423 175.155 175.800 -0.371 0.000 1.117 121 F CA -1.664 55.919 58.000 -0.696 0.000 1.037 121 F CB 0.718 39.267 39.000 -0.752 0.000 1.192 121 F HN 0.681 nan 8.300 nan 0.000 0.452 122 N N 4.916 123.141 118.700 -0.793 0.000 2.482 122 N HA 0.375 5.115 4.740 -0.000 0.000 0.242 122 N C 0.555 175.353 175.510 -1.186 0.000 1.100 122 N CA 0.435 53.046 53.050 -0.733 0.000 0.946 122 N CB 1.231 39.523 38.487 -0.324 0.000 1.227 122 N HN 0.720 nan 8.380 nan 0.000 0.508 123 A N 2.818 124.759 122.820 -1.464 0.000 1.897 123 A HA 0.107 4.427 4.320 -0.000 0.000 0.215 123 A C 1.591 178.960 177.584 -0.360 0.000 1.181 123 A CA 1.041 52.460 52.037 -1.031 0.000 0.620 123 A CB -0.758 17.931 19.000 -0.519 0.000 0.821 123 A HN 0.603 nan 8.150 nan 0.000 0.443 124 G N 0.737 109.358 108.800 -0.297 0.000 3.356 124 G HA2 0.352 4.312 3.960 -0.000 0.000 0.239 124 G HA3 0.352 4.312 3.960 -0.000 0.000 0.239 124 G C 0.388 175.213 174.900 -0.125 0.000 1.252 124 G CA 0.652 45.659 45.100 -0.155 0.000 1.611 124 G HN 0.717 nan 8.290 nan 0.000 0.580 125 S N -0.980 114.648 115.700 -0.120 0.000 2.745 125 S HA 0.689 5.159 4.470 -0.000 0.000 0.306 125 S C -0.723 173.870 174.600 -0.012 0.000 1.137 125 S CA -1.125 57.035 58.200 -0.066 0.000 0.900 125 S CB 2.503 65.658 63.200 -0.074 0.000 1.176 125 S HN 0.300 nan 8.310 nan 0.000 0.520 126 N N 0.763 119.466 118.700 0.005 0.000 3.063 126 N HA 0.223 4.963 4.740 -0.000 0.000 0.242 126 N C -3.158 172.365 175.510 0.022 0.000 1.146 126 N CA -0.805 52.260 53.050 0.025 0.000 0.974 126 N CB 1.129 39.628 38.487 0.020 0.000 1.584 126 N HN 0.681 nan 8.380 nan 0.000 0.636 127 P HA 0.285 nan 4.420 nan 0.000 0.271 127 P C -2.712 174.635 177.300 0.079 0.000 1.220 127 P CA -0.626 62.507 63.100 0.054 0.000 0.768 127 P CB -0.105 31.623 31.700 0.046 0.000 0.848 128 P HA -0.087 nan 4.420 nan 0.000 0.266 128 P C 0.179 177.635 177.300 0.259 0.000 1.162 128 P CA 0.857 64.081 63.100 0.205 0.000 0.758 128 P CB 0.280 32.185 31.700 0.340 0.000 0.774 129 S N 2.383 118.229 115.700 0.243 0.000 2.806 129 S HA 0.694 5.164 4.470 -0.000 0.000 0.306 129 S C -1.852 173.009 174.600 0.434 0.000 1.167 129 S CA -0.506 57.881 58.200 0.313 0.000 0.847 129 S CB 0.914 64.184 63.200 0.116 0.000 1.216 129 S HN 0.191 nan 8.310 nan 0.000 0.532 130 Y N 1.378 121.765 120.300 0.145 0.000 2.333 130 Y HA 0.445 4.995 4.550 0.000 0.000 0.324 130 Y C -0.277 175.676 175.900 0.089 0.000 1.033 130 Y CA -0.743 57.469 58.100 0.187 0.000 1.224 130 Y CB 1.720 40.335 38.460 0.258 0.000 1.120 130 Y HN 0.568 nan 8.280 nan 0.000 0.457 131 Q N 1.602 121.452 119.800 0.085 0.000 2.222 131 Q HA 0.625 4.965 4.340 -0.000 0.000 0.252 131 Q C -0.372 175.665 176.000 0.063 0.000 0.926 131 Q CA -0.533 55.302 55.803 0.053 0.000 0.899 131 Q CB 2.797 31.532 28.738 -0.006 0.000 1.250 131 Q HN 0.584 nan 8.270 nan 0.000 0.441 132 S N -0.186 115.547 115.700 0.055 0.000 2.704 132 S HA 0.344 4.814 4.470 -0.000 0.000 0.296 132 S C 0.877 175.495 174.600 0.031 0.000 1.138 132 S CA -0.415 57.815 58.200 0.051 0.000 0.875 132 S CB 1.460 64.698 63.200 0.063 0.000 1.151 132 S HN 0.568 nan 8.310 nan 0.000 0.500 133 S N 1.397 117.113 115.700 0.027 0.000 2.365 133 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 133 S C 1.576 176.188 174.600 0.019 0.000 1.039 133 S CA 2.133 60.344 58.200 0.019 0.000 1.033 133 S CB -0.493 62.717 63.200 0.018 0.000 0.887 133 S HN 0.823 nan 8.310 nan 0.000 0.447 134 E N 0.366 120.581 120.200 0.025 0.000 2.206 134 E HA 0.137 4.487 4.350 -0.000 0.000 0.195 134 E C -0.084 176.532 176.600 0.027 0.000 0.935 134 E CA 0.019 56.433 56.400 0.024 0.000 0.875 134 E CB -0.129 29.586 29.700 0.025 0.000 0.841 134 E HN 0.238 nan 8.360 nan 0.000 0.477 135 D N 1.026 121.449 120.400 0.037 0.000 2.377 135 D HA 0.234 4.874 4.640 -0.000 0.000 0.245 135 D C -0.474 175.852 176.300 0.044 0.000 1.196 135 D CA -0.021 54.005 54.000 0.043 0.000 0.962 135 D CB 2.348 43.184 40.800 0.061 0.000 1.127 135 D HN -0.070 nan 8.370 nan 0.000 0.471 136 V N 2.345 122.282 119.914 0.039 0.000 2.944 136 V HA 0.156 4.276 4.120 -0.000 0.000 0.259 136 V C -0.050 176.056 176.094 0.021 0.000 0.849 136 V CA -0.424 61.898 62.300 0.038 0.000 0.976 136 V CB 0.487 32.321 31.823 0.018 0.000 0.997 136 V HN 0.351 nan 8.190 nan 0.000 0.498 137 I N 2.879 123.469 120.570 0.033 0.000 2.474 137 I HA 0.651 4.821 4.170 -0.000 0.000 0.287 137 I C 0.568 176.619 176.117 -0.109 0.000 1.048 137 I CA 0.885 62.136 61.300 -0.081 0.000 1.383 137 I CB 1.396 39.308 38.000 -0.146 0.000 1.412 137 I HN 0.528 nan 8.210 nan 0.000 0.531 138 T N 4.761 119.195 114.554 -0.200 0.000 2.722 138 T HA 0.166 4.516 4.350 -0.000 0.000 0.314 138 T C 0.767 175.377 174.700 -0.150 0.000 1.675 138 T CA -0.636 61.382 62.100 -0.138 0.000 1.003 138 T CB 1.120 69.973 68.868 -0.025 0.000 1.602 138 T HN 0.682 nan 8.240 nan 0.000 0.496 139 I N 0.850 121.371 120.570 -0.082 0.000 3.402 139 I HA -0.459 3.711 4.170 -0.000 0.000 0.191 139 I C 1.184 177.266 176.117 -0.058 0.000 0.748 139 I CA 2.291 63.563 61.300 -0.047 0.000 1.121 139 I CB -0.123 37.873 38.000 -0.006 0.000 0.903 139 I HN 0.711 nan 8.210 nan 0.000 0.319 140 K N 0.345 120.710 120.400 -0.059 0.000 2.402 140 K HA 0.214 4.534 4.320 -0.000 0.000 0.204 140 K C 0.275 176.840 176.600 -0.058 0.000 1.056 140 K CA 0.284 56.543 56.287 -0.047 0.000 1.069 140 K CB 0.673 33.157 32.500 -0.026 0.000 0.888 140 K HN 0.347 nan 8.250 nan 0.000 0.546 141 S N 2.079 117.724 115.700 -0.091 0.000 2.549 141 S HA 0.159 4.629 4.470 -0.000 0.000 0.283 141 S C 0.185 174.744 174.600 -0.068 0.000 1.320 141 S CA -0.390 57.761 58.200 -0.082 0.000 1.058 141 S CB 0.789 63.924 63.200 -0.109 0.000 0.882 141 S HN 0.178 nan 8.310 nan 0.000 0.498 142 R N 1.845 122.325 120.500 -0.033 0.000 2.490 142 R HA 0.534 4.874 4.340 -0.000 0.000 0.280 142 R C -0.169 176.134 176.300 0.004 0.000 1.077 142 R CA -0.106 55.989 56.100 -0.010 0.000 1.065 142 R CB 0.265 30.564 30.300 -0.001 0.000 1.003 142 R HN 0.623 nan 8.270 nan 0.000 0.470 143 I N 0.477 121.066 120.570 0.031 0.000 2.722 143 I HA 0.392 4.562 4.170 -0.000 0.000 0.295 143 I C -0.527 175.632 176.117 0.070 0.000 1.161 143 I CA -1.103 60.234 61.300 0.062 0.000 1.032 143 I CB 2.345 40.412 38.000 0.111 0.000 1.244 143 I HN 0.437 nan 8.210 nan 0.000 0.421 144 R N 4.113 124.654 120.500 0.068 0.000 2.205 144 R HA 0.594 4.934 4.340 -0.000 0.000 0.342 144 R C -1.143 175.195 176.300 0.064 0.000 1.058 144 R CA -0.298 55.840 56.100 0.064 0.000 0.904 144 R CB 0.783 31.121 30.300 0.063 0.000 1.089 144 R HN 0.587 nan 8.270 nan 0.000 0.471 145 V N 3.154 123.103 119.914 0.058 0.000 2.630 145 V HA 0.403 4.523 4.120 -0.000 0.000 0.305 145 V C -0.157 175.957 176.094 0.035 0.000 1.046 145 V CA -0.979 61.344 62.300 0.039 0.000 0.934 145 V CB 1.705 33.548 31.823 0.034 0.000 1.003 145 V HN 0.626 nan 8.190 nan 0.000 0.451 146 K N 3.588 124.001 120.400 0.021 0.000 2.316 146 K HA 0.506 4.825 4.320 -0.000 0.000 0.267 146 K C -0.771 175.840 176.600 0.019 0.000 1.025 146 K CA -0.584 55.718 56.287 0.026 0.000 0.896 146 K CB 0.901 33.413 32.500 0.021 0.000 1.124 146 K HN 0.714 nan 8.250 nan 0.000 0.451 147 I N 5.605 126.193 120.570 0.029 0.000 2.483 147 I HA -0.048 4.122 4.170 -0.000 0.000 0.291 147 I C 1.294 177.429 176.117 0.029 0.000 1.112 147 I CA -0.025 61.291 61.300 0.026 0.000 1.350 147 I CB 0.766 38.782 38.000 0.026 0.000 1.419 147 I HN 0.709 nan 8.210 nan 0.000 0.523 148 E N 4.937 125.149 120.200 0.020 0.000 2.107 148 E HA 0.059 4.409 4.350 -0.000 0.000 0.191 148 E C 0.948 177.563 176.600 0.024 0.000 0.982 148 E CA 0.344 56.755 56.400 0.018 0.000 0.809 148 E CB 0.326 30.030 29.700 0.006 0.000 0.756 148 E HN 0.804 nan 8.360 nan 0.000 0.459 149 G N -0.348 108.468 108.800 0.027 0.000 2.733 149 G HA2 0.363 4.323 3.960 -0.000 0.000 0.297 149 G HA3 0.363 4.323 3.960 -0.000 0.000 0.297 149 G C -1.342 173.574 174.900 0.027 0.000 1.452 149 G CA -0.612 44.503 45.100 0.026 0.000 0.940 149 G HN 0.077 nan 8.290 nan 0.000 0.547 150 C N 0.522 119.828 119.300 0.010 0.000 2.470 150 C HA 0.797 5.257 4.460 -0.000 0.000 0.341 150 C C 0.030 175.023 174.990 0.004 0.000 1.190 150 C CA -0.408 58.611 59.018 0.002 0.000 1.904 150 C CB 0.787 28.494 27.740 -0.054 0.000 2.354 150 C HN 0.569 nan 8.230 nan 0.000 0.509 151 I N 2.878 123.460 120.570 0.021 0.000 2.563 151 I HA 0.181 4.351 4.170 -0.000 0.000 0.276 151 I C 0.247 176.370 176.117 0.010 0.000 1.074 151 I CA 0.132 61.439 61.300 0.012 0.000 1.124 151 I CB 0.861 38.872 38.000 0.018 0.000 1.225 151 I HN 0.662 nan 8.210 nan 0.000 0.482 152 S N 4.656 120.343 115.700 -0.021 0.000 2.525 152 S HA 0.232 4.702 4.470 -0.000 0.000 0.285 152 S C -0.286 174.299 174.600 -0.024 0.000 1.283 152 S CA -0.338 57.842 58.200 -0.033 0.000 1.072 152 S CB 1.152 64.316 63.200 -0.060 0.000 0.867 152 S HN 0.724 nan 8.310 nan 0.000 0.492 153 Q N 3.069 122.857 119.800 -0.020 0.000 2.296 153 Q HA 0.456 4.796 4.340 -0.000 0.000 0.254 153 Q C 0.060 176.042 176.000 -0.030 0.000 0.936 153 Q CA -0.666 55.126 55.803 -0.019 0.000 0.834 153 Q CB 1.257 29.993 28.738 -0.003 0.000 1.340 153 Q HN 0.719 nan 8.270 nan 0.000 0.428 154 V N 1.725 121.618 119.914 -0.034 0.000 0.684 154 V HA -0.435 3.685 4.120 -0.000 0.000 0.092 154 V C 0.472 176.530 176.094 -0.060 0.000 0.885 154 V CA 2.172 64.449 62.300 -0.037 0.000 3.119 154 V CB -1.985 29.822 31.823 -0.027 0.000 0.252 154 V HN 1.067 nan 8.190 nan 0.000 0.198 155 S N 1.145 116.802 115.700 -0.071 0.000 2.256 155 S HA 0.729 5.199 4.470 -0.000 0.000 0.210 155 S C -0.420 174.059 174.600 -0.202 0.000 1.329 155 S CA 0.505 58.631 58.200 -0.123 0.000 1.267 155 S CB 0.689 63.844 63.200 -0.076 0.000 1.086 155 S HN 2.317 nan 8.310 nan 0.000 0.468 156 S N 0.275 115.837 115.700 -0.230 0.000 2.701 156 S HA 0.529 4.999 4.470 -0.000 0.000 0.267 156 S C -1.398 173.177 174.600 -0.041 0.000 1.034 156 S CA -1.229 56.835 58.200 -0.226 0.000 0.867 156 S CB 0.014 63.247 63.200 0.054 0.000 1.123 156 S HN 0.445 nan 8.310 nan 0.000 0.470 157 I N 0.771 121.439 120.570 0.163 0.000 2.689 157 I HA 0.620 4.790 4.170 -0.000 0.000 0.299 157 I C -0.568 175.635 176.117 0.143 0.000 1.059 157 I CA -0.555 60.814 61.300 0.115 0.000 1.055 157 I CB 2.193 40.235 38.000 0.071 0.000 1.243 157 I HN 0.874 nan 8.210 nan 0.000 0.425 158 H N 2.550 121.639 119.070 0.032 0.000 2.851 158 H HA 0.846 5.402 4.556 0.000 0.000 0.372 158 H C -1.187 174.147 175.328 0.009 0.000 1.158 158 H CA -0.390 55.675 56.048 0.029 0.000 1.159 158 H CB 2.130 31.898 29.762 0.009 0.000 1.757 158 H HN 0.813 nan 8.280 nan 0.000 0.546 159 A N 3.470 126.441 122.820 0.252 0.000 2.564 159 A HA 0.690 5.010 4.320 -0.000 0.000 0.288 159 A C -1.575 176.144 177.584 0.225 0.000 1.164 159 A CA -0.649 51.491 52.037 0.171 0.000 0.712 159 A CB 1.389 20.419 19.000 0.049 0.000 1.303 159 A HN 0.575 nan 8.150 nan 0.000 0.418 160 I N 0.159 120.804 120.570 0.126 0.000 2.582 160 I HA 0.608 4.778 4.170 -0.000 0.000 0.292 160 I C 0.327 176.461 176.117 0.027 0.000 1.066 160 I CA -0.533 60.827 61.300 0.100 0.000 1.053 160 I CB 2.360 40.415 38.000 0.092 0.000 1.241 160 I HN 0.843 nan 8.210 nan 0.000 0.421 161 G N 2.818 111.606 108.800 -0.020 0.000 2.605 161 G HA2 0.707 4.667 3.960 -0.000 0.000 0.296 161 G HA3 0.707 4.667 3.960 -0.000 0.000 0.296 161 G C -1.070 173.771 174.900 -0.098 0.000 1.304 161 G CA -0.469 44.607 45.100 -0.041 0.000 0.941 161 G HN 0.611 nan 8.290 nan 0.000 0.475 162 S N -1.194 114.464 115.700 -0.070 0.000 2.648 162 S HA 0.691 5.161 4.470 -0.000 0.000 0.305 162 S C 0.339 174.904 174.600 -0.058 0.000 1.094 162 S CA -0.700 57.449 58.200 -0.086 0.000 0.983 162 S CB 1.673 64.840 63.200 -0.055 0.000 1.101 162 S HN 1.255 nan 8.310 nan 0.000 0.514 163 I N -2.814 117.723 120.570 -0.056 0.000 3.376 163 I HA 0.506 4.676 4.170 -0.000 0.000 0.326 163 I C 0.557 176.672 176.117 -0.003 0.000 1.538 163 I CA -0.502 60.790 61.300 -0.013 0.000 0.989 163 I CB 0.193 38.197 38.000 0.006 0.000 1.413 163 I HN 0.631 nan 8.210 nan 0.000 0.547 164 K N 1.228 121.619 120.400 -0.014 0.000 2.352 164 K HA 0.210 4.530 4.320 -0.000 0.000 0.194 164 K C 0.762 177.354 176.600 -0.013 0.000 1.038 164 K CA 0.134 56.415 56.287 -0.009 0.000 1.023 164 K CB 0.508 33.001 32.500 -0.012 0.000 0.840 164 K HN 0.386 nan 8.250 nan 0.000 0.519 165 E N 1.133 121.325 120.200 -0.013 0.000 2.405 165 E HA 0.018 4.368 4.350 -0.000 0.000 0.253 165 E C -0.426 176.150 176.600 -0.039 0.000 1.257 165 E CA -0.082 56.304 56.400 -0.024 0.000 0.960 165 E CB 0.311 30.005 29.700 -0.010 0.000 1.077 165 E HN 0.122 nan 8.360 nan 0.000 0.512 166 D N -1.017 119.329 120.400 -0.090 0.000 2.348 166 D HA 0.119 4.759 4.640 -0.000 0.000 0.249 166 D C 0.073 176.319 176.300 -0.092 0.000 1.110 166 D CA -0.258 53.633 54.000 -0.182 0.000 0.967 166 D CB 0.507 41.073 40.800 -0.390 0.000 1.139 166 D HN 0.496 nan 8.370 nan 0.000 0.466 167 Y N -1.525 118.784 120.300 0.015 0.000 4.604 167 Y HA -0.289 4.261 4.550 0.000 0.000 0.230 167 Y C 0.202 176.113 175.900 0.019 0.000 1.066 167 Y CA -0.287 57.823 58.100 0.016 0.000 1.990 167 Y CB -1.178 37.290 38.460 0.014 0.000 1.619 167 Y HN 0.233 nan 8.280 nan 0.000 0.649 168 L N -0.700 120.606 121.223 0.138 0.000 2.303 168 L HA 0.868 5.208 4.340 -0.000 0.000 0.266 168 L C 0.808 177.727 176.870 0.081 0.000 1.011 168 L CA 0.073 54.969 54.840 0.094 0.000 0.818 168 L CB 2.001 44.095 42.059 0.058 0.000 1.326 168 L HN 0.232 nan 8.230 nan 0.000 0.435 169 G N 0.411 109.258 108.800 0.077 0.000 2.297 169 G HA2 0.155 4.115 3.960 -0.000 0.000 0.209 169 G HA3 0.155 4.115 3.960 -0.000 0.000 0.209 169 G C -0.998 173.951 174.900 0.080 0.000 1.267 169 G CA -0.271 44.879 45.100 0.083 0.000 1.127 169 G HN 0.894 nan 8.290 nan 0.000 0.498 170 A N -0.262 122.600 122.820 0.070 0.000 2.346 170 A HA 0.768 5.088 4.320 -0.000 0.000 0.252 170 A C 0.789 178.398 177.584 0.041 0.000 1.089 170 A CA 0.632 52.697 52.037 0.046 0.000 0.797 170 A CB -0.198 18.820 19.000 0.030 0.000 1.047 170 A HN 1.860 nan 8.150 nan 0.000 0.494 171 I N 0.000 120.586 120.570 0.027 0.000 2.984 171 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 171 I CA 0.000 61.313 61.300 0.022 0.000 1.566 171 I CB 0.000 38.012 38.000 0.019 0.000 1.214 171 I HN 0.000 nan 8.210 nan 0.000 0.494