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 3hov_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 0.000 175.790 176.300 -0.850 0.000 1.140 1 M CA 0.000 54.996 55.300 -0.507 0.000 0.988 1 M CB 0.000 32.522 32.600 -0.129 0.000 1.302 2 F N 3.282 123.062 119.950 -0.282 0.000 2.439 2 F HA -0.062 4.465 4.527 -0.000 0.000 0.417 2 F C -0.099 175.533 175.800 -0.280 0.000 0.957 2 F CA 1.247 59.200 58.000 -0.078 0.000 1.146 2 F CB -0.147 38.867 39.000 0.022 0.000 0.911 2 F HN 0.050 nan 8.300 nan 0.000 0.531 3 F N 3.789 123.916 119.950 0.296 0.000 2.541 3 F HA 0.618 5.145 4.527 -0.000 0.000 0.331 3 F C 0.102 175.993 175.800 0.151 0.000 1.057 3 F CA -1.099 57.013 58.000 0.187 0.000 0.975 3 F CB 1.059 40.146 39.000 0.144 0.000 1.246 3 F HN 0.028 nan 8.300 nan 0.000 0.484 4 I N 2.193 122.945 120.570 0.304 0.000 2.390 4 I HA 0.293 4.463 4.170 -0.000 0.000 0.283 4 I C -0.694 175.492 176.117 0.116 0.000 1.016 4 I CA -0.668 60.725 61.300 0.155 0.000 1.151 4 I CB 1.477 39.533 38.000 0.095 0.000 1.293 4 I HN 0.414 nan 8.210 nan 0.000 0.458 5 K N 4.609 125.042 120.400 0.055 0.000 2.156 5 K HA 0.352 4.672 4.320 -0.000 0.000 0.254 5 K C -0.780 175.758 176.600 -0.104 0.000 0.950 5 K CA -0.495 55.790 56.287 -0.004 0.000 0.849 5 K CB 1.221 33.727 32.500 0.011 0.000 1.100 5 K HN 0.267 nan 8.250 nan 0.000 0.434 6 D N 4.421 124.774 120.400 -0.078 0.000 2.441 6 D HA 0.201 4.841 4.640 -0.000 0.000 0.221 6 D C -0.239 175.992 176.300 -0.115 0.000 1.156 6 D CA 0.039 53.982 54.000 -0.094 0.000 0.896 6 D CB 0.270 41.052 40.800 -0.031 0.000 1.028 6 D HN 0.367 nan 8.370 nan 0.000 0.509 7 L N 0.672 121.771 121.223 -0.206 0.000 2.347 7 L HA 0.588 4.928 4.340 -0.000 0.000 0.268 7 L C 0.598 177.605 176.870 0.228 0.000 1.019 7 L CA -0.763 54.017 54.840 -0.100 0.000 0.806 7 L CB 1.401 43.307 42.059 -0.254 0.000 1.339 7 L HN 0.225 nan 8.230 nan 0.000 0.463 8 S N 0.458 116.293 115.700 0.225 0.000 2.596 8 S HA 0.821 5.291 4.470 -0.000 0.000 0.270 8 S C -1.337 173.231 174.600 -0.053 0.000 1.155 8 S CA -0.751 57.507 58.200 0.097 0.000 0.827 8 S CB 2.426 65.653 63.200 0.045 0.000 1.130 8 S HN 0.467 nan 8.310 nan 0.000 0.467 9 L N 0.834 121.957 121.223 -0.165 0.000 2.505 9 L HA 0.641 4.981 4.340 -0.000 0.000 0.259 9 L C -2.039 174.765 176.870 -0.111 0.000 0.952 9 L CA -0.423 54.315 54.840 -0.171 0.000 0.840 9 L CB 2.128 43.992 42.059 -0.326 0.000 1.358 9 L HN 0.784 nan 8.230 nan 0.000 0.409 10 N N 4.901 123.565 118.700 -0.059 0.000 2.425 10 N HA 0.607 5.347 4.740 -0.000 0.000 0.268 10 N C -1.135 174.367 175.510 -0.013 0.000 0.991 10 N CA -0.087 52.950 53.050 -0.022 0.000 0.931 10 N CB 1.633 40.115 38.487 -0.009 0.000 1.130 10 N HN 0.588 nan 8.380 nan 0.000 0.493 11 I N 0.740 121.327 120.570 0.028 0.000 2.509 11 I HA 0.268 4.438 4.170 -0.000 0.000 0.293 11 I C 0.234 176.418 176.117 0.113 0.000 1.020 11 I CA -0.639 60.688 61.300 0.045 0.000 1.088 11 I CB 2.148 40.157 38.000 0.015 0.000 1.267 11 I HN 0.109 nan 8.210 nan 0.000 0.430 12 T N 6.550 121.158 114.554 0.089 0.000 2.758 12 T HA 0.473 4.823 4.350 -0.000 0.000 0.285 12 T C -0.392 174.411 174.700 0.172 0.000 0.981 12 T CA -0.333 61.832 62.100 0.109 0.000 0.965 12 T CB 0.775 69.686 68.868 0.072 0.000 0.927 12 T HN 0.299 nan 8.240 nan 0.000 0.448 13 L N 3.850 125.233 121.223 0.266 0.000 2.282 13 L HA 0.440 4.780 4.340 -0.000 0.000 0.288 13 L C 0.346 177.495 176.870 0.466 0.000 1.033 13 L CA -0.920 54.131 54.840 0.352 0.000 0.807 13 L CB 1.028 43.364 42.059 0.462 0.000 1.209 13 L HN 0.744 nan 8.230 nan 0.000 0.423 14 H N 5.923 125.218 119.070 0.376 0.000 2.757 14 H HA 0.096 4.652 4.556 -0.000 0.000 0.370 14 H C -1.958 173.595 175.328 0.374 0.000 1.172 14 H CA -0.620 55.630 56.048 0.336 0.000 1.426 14 H CB 1.117 31.097 29.762 0.363 0.000 1.438 14 H HN 0.342 nan 8.280 nan 0.000 0.612 15 P HA -0.139 nan 4.420 nan 0.000 0.223 15 P C 1.380 178.530 177.300 -0.250 0.000 1.151 15 P CA 1.659 64.206 63.100 -0.921 0.000 0.787 15 P CB 0.063 31.144 31.700 -1.032 0.000 0.788 16 S N -0.568 115.169 115.700 0.062 0.000 2.374 16 S HA -0.214 4.256 4.470 -0.000 0.000 0.227 16 S C 1.535 176.110 174.600 -0.042 0.000 1.037 16 S CA 1.360 59.577 58.200 0.027 0.000 1.024 16 S CB -1.960 61.222 63.200 -0.029 0.000 0.861 16 S HN 0.083 nan 8.310 nan 0.000 0.456 17 F N 0.765 120.836 119.950 0.202 0.000 2.805 17 F HA 0.328 4.855 4.527 -0.000 0.000 0.301 17 F C 0.388 176.347 175.800 0.265 0.000 1.196 17 F CA -0.337 57.733 58.000 0.116 0.000 1.439 17 F CB -0.562 38.413 39.000 -0.042 0.000 1.117 17 F HN 0.101 nan 8.300 nan 0.000 0.581 18 F N 1.055 121.089 119.950 0.139 0.000 2.727 18 F HA 0.245 4.772 4.527 -0.000 0.000 0.349 18 F C 1.284 177.124 175.800 0.067 0.000 1.172 18 F CA -1.001 57.066 58.000 0.112 0.000 1.355 18 F CB -1.230 37.816 39.000 0.077 0.000 1.546 18 F HN -0.092 nan 8.300 nan 0.000 0.596 19 G N 1.099 110.016 108.800 0.195 0.000 2.695 19 G HA2 0.317 4.277 3.960 -0.000 0.000 0.213 19 G HA3 0.317 4.277 3.960 -0.000 0.000 0.213 19 G C -1.224 173.723 174.900 0.078 0.000 1.406 19 G CA -0.385 44.782 45.100 0.111 0.000 1.049 19 G HN 0.172 nan 8.290 nan 0.000 0.573 20 P HA 0.184 nan 4.420 nan 0.000 0.226 20 P C 0.669 177.995 177.300 0.043 0.000 1.160 20 P CA 0.172 63.298 63.100 0.043 0.000 0.837 20 P CB 0.710 32.432 31.700 0.037 0.000 0.860 21 R N 0.687 121.223 120.500 0.061 0.000 3.785 21 R HA 0.339 4.679 4.340 -0.000 0.000 0.255 21 R C 0.930 177.294 176.300 0.107 0.000 1.485 21 R CA -0.351 55.795 56.100 0.075 0.000 1.555 21 R CB -0.932 29.420 30.300 0.086 0.000 1.362 21 R HN 0.267 nan 8.270 nan 0.000 0.702 22 M N 0.344 119.982 119.600 0.063 0.000 2.553 22 M HA -0.006 4.474 4.480 -0.000 0.000 0.255 22 M C 1.704 177.992 176.300 -0.020 0.000 1.181 22 M CA 1.158 56.489 55.300 0.052 0.000 1.210 22 M CB 0.043 32.621 32.600 -0.035 0.000 1.280 22 M HN 0.199 nan 8.290 nan 0.000 0.495 23 K N 0.430 120.776 120.400 -0.089 0.000 2.089 23 K HA -0.320 4.000 4.320 -0.000 0.000 0.210 23 K C 1.971 178.518 176.600 -0.088 0.000 1.048 23 K CA 2.516 58.717 56.287 -0.143 0.000 0.926 23 K CB -0.243 32.195 32.500 -0.104 0.000 0.714 23 K HN 0.484 nan 8.250 nan 0.000 0.448 24 Q N -0.771 119.032 119.800 0.006 0.000 2.084 24 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 24 Q C 1.925 177.946 176.000 0.035 0.000 0.978 24 Q CA 1.783 57.619 55.803 0.055 0.000 0.844 24 Q CB -0.350 28.451 28.738 0.106 0.000 0.898 24 Q HN 0.511 nan 8.270 nan 0.000 0.426 25 Y N 0.255 120.539 120.300 -0.027 0.000 2.274 25 Y HA -0.176 4.374 4.550 -0.000 0.000 0.290 25 Y C 1.490 177.311 175.900 -0.133 0.000 1.145 25 Y CA 1.374 59.448 58.100 -0.043 0.000 1.203 25 Y CB 0.052 38.516 38.460 0.006 0.000 0.984 25 Y HN 0.138 nan 8.280 nan 0.000 0.533 26 L N -0.204 120.889 121.223 -0.216 0.000 1.993 26 L HA -0.226 4.114 4.340 -0.000 0.000 0.206 26 L C 2.405 179.072 176.870 -0.338 0.000 1.074 26 L CA 1.607 56.255 54.840 -0.319 0.000 0.746 26 L CB -0.651 41.193 42.059 -0.359 0.000 0.896 26 L HN 0.015 nan 8.230 nan 0.000 0.435 27 K N -0.580 119.636 120.400 -0.307 0.000 2.242 27 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 27 K C 1.944 178.366 176.600 -0.297 0.000 1.045 27 K CA 1.900 57.962 56.287 -0.375 0.000 0.930 27 K CB -0.249 31.944 32.500 -0.512 0.000 0.726 27 K HN 0.397 nan 8.250 nan 0.000 0.462 28 T N 0.543 114.948 114.554 -0.249 0.000 2.735 28 T HA -0.084 4.266 4.350 -0.000 0.000 0.256 28 T C 1.719 176.254 174.700 -0.275 0.000 1.042 28 T CA 1.026 63.004 62.100 -0.204 0.000 1.147 28 T CB -0.080 68.639 68.868 -0.249 0.000 0.865 28 T HN 0.059 nan 8.240 nan 0.000 0.421 29 K N 1.293 121.429 120.400 -0.439 0.000 2.034 29 K HA -0.097 4.223 4.320 -0.000 0.000 0.214 29 K C 2.069 178.522 176.600 -0.245 0.000 1.051 29 K CA 1.097 57.160 56.287 -0.374 0.000 0.931 29 K CB -1.037 31.207 32.500 -0.428 0.000 0.715 29 K HN 0.191 nan 8.250 nan 0.000 0.446 30 L N 0.803 121.869 121.223 -0.261 0.000 1.976 30 L HA -0.238 4.102 4.340 -0.000 0.000 0.223 30 L C 1.935 178.699 176.870 -0.176 0.000 1.081 30 L CA 1.968 56.654 54.840 -0.257 0.000 0.784 30 L CB -0.765 41.106 42.059 -0.313 0.000 0.896 30 L HN 0.297 nan 8.230 nan 0.000 0.438 31 L N -0.793 120.352 121.223 -0.130 0.000 2.081 31 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 31 L C 2.534 179.386 176.870 -0.029 0.000 1.080 31 L CA 1.865 56.681 54.840 -0.039 0.000 0.754 31 L CB -0.850 41.212 42.059 0.006 0.000 0.893 31 L HN 0.461 nan 8.230 nan 0.000 0.433 32 E N -0.354 119.807 120.200 -0.066 0.000 2.208 32 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 32 E C 1.926 178.502 176.600 -0.039 0.000 0.988 32 E CA 0.681 57.053 56.400 -0.047 0.000 0.828 32 E CB 0.134 29.792 29.700 -0.071 0.000 0.763 32 E HN 0.468 nan 8.360 nan 0.000 0.478 33 E N -0.359 119.804 120.200 -0.062 0.000 2.364 33 E HA -0.023 4.327 4.350 -0.000 0.000 0.196 33 E C 1.504 178.089 176.600 -0.025 0.000 0.990 33 E CA 0.126 56.496 56.400 -0.049 0.000 0.886 33 E CB 0.726 30.379 29.700 -0.077 0.000 0.866 33 E HN 0.016 nan 8.360 nan 0.000 0.493 34 V N 0.734 120.639 119.914 -0.014 0.000 2.806 34 V HA 0.018 4.138 4.120 -0.000 0.000 0.239 34 V C 0.452 176.602 176.094 0.094 0.000 1.113 34 V CA 0.321 62.652 62.300 0.053 0.000 1.137 34 V CB 0.175 32.059 31.823 0.101 0.000 0.865 34 V HN 0.091 nan 8.190 nan 0.000 0.482 35 E N 0.838 121.091 120.200 0.090 0.000 2.417 35 E HA 0.300 4.650 4.350 -0.000 0.000 0.261 35 E C 1.161 177.814 176.600 0.088 0.000 1.000 35 E CA 0.904 57.363 56.400 0.098 0.000 0.919 35 E CB 0.394 30.146 29.700 0.086 0.000 0.955 35 E HN 0.544 nan 8.360 nan 0.000 0.455 36 G N 2.837 111.704 108.800 0.113 0.000 2.195 36 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.246 36 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.246 36 G C 0.490 175.442 174.900 0.086 0.000 0.984 36 G CA 0.363 45.531 45.100 0.113 0.000 0.633 36 G HN 0.676 nan 8.290 nan 0.000 0.525 37 S N -1.222 114.520 115.700 0.071 0.000 2.617 37 S HA 0.626 5.096 4.470 -0.000 0.000 0.259 37 S C 0.277 174.866 174.600 -0.017 0.000 1.301 37 S CA 0.143 58.361 58.200 0.031 0.000 0.984 37 S CB 2.028 65.258 63.200 0.049 0.000 0.954 37 S HN 1.710 nan 8.310 nan 0.000 0.572 38 C N 1.368 120.623 119.300 -0.075 0.000 3.113 38 C HA 0.789 5.249 4.460 -0.000 0.000 0.376 38 C C -0.727 174.194 174.990 -0.115 0.000 1.077 38 C CA 0.377 59.279 59.018 -0.193 0.000 1.253 38 C CB 0.647 28.073 27.740 -0.523 0.000 1.637 38 C HN 1.377 nan 8.230 nan 0.000 0.535 39 T N 1.097 115.604 114.554 -0.079 0.000 2.868 39 T HA 0.560 4.910 4.350 -0.000 0.000 0.306 39 T C 0.812 175.448 174.700 -0.107 0.000 1.224 39 T CA 0.174 62.240 62.100 -0.057 0.000 1.012 39 T CB 1.335 70.224 68.868 0.036 0.000 1.221 39 T HN 1.247 nan 8.240 nan 0.000 0.499 40 G N 0.197 108.917 108.800 -0.134 0.000 2.484 40 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.218 40 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.218 40 G C 1.187 175.943 174.900 -0.240 0.000 1.130 40 G CA 0.677 45.676 45.100 -0.168 0.000 0.784 40 G HN 0.839 nan 8.290 nan 0.000 0.543 41 K N -0.408 119.804 120.400 -0.313 0.000 2.002 41 K HA -0.011 4.309 4.320 -0.000 0.000 0.209 41 K C 1.617 177.789 176.600 -0.713 0.000 1.048 41 K CA 1.327 57.256 56.287 -0.596 0.000 0.930 41 K CB -0.188 31.784 32.500 -0.880 0.000 0.714 41 K HN 0.397 nan 8.250 nan 0.000 0.438 42 F N -0.507 119.403 119.950 -0.066 0.000 2.724 42 F HA 0.292 4.819 4.527 -0.000 0.000 0.306 42 F C 1.146 176.927 175.800 -0.032 0.000 1.100 42 F CA 0.064 58.033 58.000 -0.052 0.000 1.255 42 F CB 0.952 39.944 39.000 -0.013 0.000 1.072 42 F HN 0.322 nan 8.300 nan 0.000 0.589 43 G N 0.239 109.081 108.800 0.070 0.000 2.542 43 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.235 43 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.235 43 G C -0.984 174.011 174.900 0.159 0.000 1.286 43 G CA -0.872 44.272 45.100 0.073 0.000 0.904 43 G HN 0.046 nan 8.290 nan 0.000 0.577 44 Y N 0.434 120.807 120.300 0.122 0.000 2.436 44 Y HA 0.513 5.063 4.550 -0.000 0.000 0.336 44 Y C 1.301 177.306 175.900 0.175 0.000 1.049 44 Y CA -0.102 58.095 58.100 0.162 0.000 1.294 44 Y CB 0.616 39.206 38.460 0.218 0.000 1.179 44 Y HN 0.413 nan 8.280 nan 0.000 0.520 45 I N 6.061 126.788 120.570 0.263 0.000 2.287 45 I HA 0.070 4.240 4.170 -0.000 0.000 0.290 45 I C 0.573 176.810 176.117 0.200 0.000 1.069 45 I CA 0.133 61.549 61.300 0.194 0.000 1.237 45 I CB 0.559 38.640 38.000 0.136 0.000 1.418 45 I HN 0.728 nan 8.210 nan 0.000 0.481 46 L N 4.961 126.311 121.223 0.213 0.000 2.130 46 L HA 0.114 4.454 4.340 -0.000 0.000 0.200 46 L C 0.858 177.807 176.870 0.131 0.000 1.075 46 L CA 0.859 55.809 54.840 0.185 0.000 0.768 46 L CB 0.078 42.262 42.059 0.207 0.000 0.933 46 L HN 0.563 nan 8.230 nan 0.000 0.451 47 C N 0.405 119.772 119.300 0.112 0.000 2.481 47 C HA 0.561 5.021 4.460 -0.000 0.000 0.324 47 C C -0.119 174.909 174.990 0.063 0.000 1.170 47 C CA -0.936 58.133 59.018 0.084 0.000 1.361 47 C CB 0.996 28.776 27.740 0.066 0.000 1.977 47 C HN 0.031 nan 8.230 nan 0.000 0.459 48 V N 7.916 127.879 119.914 0.082 0.000 2.455 48 V HA 0.231 4.351 4.120 -0.000 0.000 0.273 48 V C 0.589 176.723 176.094 0.068 0.000 1.045 48 V CA 0.111 62.456 62.300 0.077 0.000 0.976 48 V CB 0.507 32.426 31.823 0.160 0.000 0.993 48 V HN 0.740 nan 8.190 nan 0.000 0.475 49 L N 3.201 124.438 121.223 0.024 0.000 2.468 49 L HA 0.403 4.743 4.340 -0.000 0.000 0.254 49 L C 1.056 177.960 176.870 0.056 0.000 1.171 49 L CA -0.506 54.354 54.840 0.034 0.000 0.809 49 L CB 0.087 42.150 42.059 0.006 0.000 1.155 49 L HN 0.643 nan 8.230 nan 0.000 0.473 50 D N -0.017 120.421 120.400 0.063 0.000 2.704 50 D HA -0.303 4.337 4.640 -0.000 0.000 0.232 50 D C 0.828 177.203 176.300 0.125 0.000 1.183 50 D CA 0.761 54.807 54.000 0.075 0.000 0.647 50 D CB -0.625 40.201 40.800 0.043 0.000 1.013 50 D HN 0.635 nan 8.370 nan 0.000 0.415 51 Y N 0.361 120.667 120.300 0.011 0.000 2.132 51 Y HA -0.321 4.229 4.550 -0.000 0.000 0.280 51 Y C 1.960 177.861 175.900 0.001 0.000 1.193 51 Y CA 2.176 60.281 58.100 0.009 0.000 1.157 51 Y CB 0.117 38.578 38.460 0.003 0.000 0.966 51 Y HN 0.138 nan 8.280 nan 0.000 0.511 52 D N 0.047 120.649 120.400 0.337 0.000 2.149 52 D HA -0.183 4.457 4.640 -0.000 0.000 0.198 52 D C 0.599 176.960 176.300 0.103 0.000 0.990 52 D CA 1.474 55.611 54.000 0.228 0.000 0.839 52 D CB -0.394 40.481 40.800 0.125 0.000 0.948 52 D HN 0.583 nan 8.370 nan 0.000 0.460 53 N N 0.404 119.141 118.700 0.061 0.000 2.376 53 N HA 0.144 4.884 4.740 -0.000 0.000 0.249 53 N C -0.134 175.373 175.510 -0.005 0.000 1.140 53 N CA -0.190 52.874 53.050 0.023 0.000 0.870 53 N CB 0.979 39.480 38.487 0.023 0.000 1.124 53 N HN 0.124 nan 8.380 nan 0.000 0.505 54 I N 1.060 121.604 120.570 -0.044 0.000 2.587 54 I HA -0.054 4.116 4.170 -0.000 0.000 0.284 54 I C 0.637 176.713 176.117 -0.068 0.000 1.134 54 I CA 0.140 61.397 61.300 -0.072 0.000 1.410 54 I CB 0.224 38.118 38.000 -0.178 0.000 1.392 54 I HN 0.022 nan 8.210 nan 0.000 0.545 55 D N 7.138 127.517 120.400 -0.036 0.000 2.346 55 D HA 0.062 4.702 4.640 -0.000 0.000 0.260 55 D C 0.612 176.882 176.300 -0.050 0.000 1.252 55 D CA 0.285 54.267 54.000 -0.030 0.000 0.895 55 D CB 1.106 41.904 40.800 -0.004 0.000 1.097 55 D HN 0.525 nan 8.370 nan 0.000 0.489 56 I N 2.662 123.193 120.570 -0.066 0.000 2.731 56 I HA -0.063 4.107 4.170 -0.000 0.000 0.260 56 I C 0.535 176.661 176.117 0.014 0.000 1.138 56 I CA 0.357 61.604 61.300 -0.089 0.000 1.461 56 I CB 0.049 37.938 38.000 -0.184 0.000 1.128 56 I HN 0.555 nan 8.210 nan 0.000 0.438 57 Q N 0.599 120.415 119.800 0.027 0.000 0.317 57 Q HA -0.219 4.121 4.340 -0.000 0.000 0.301 57 Q C -0.250 175.831 176.000 0.136 0.000 1.090 57 Q CA 0.698 56.541 55.803 0.066 0.000 0.217 57 Q CB -0.549 28.229 28.738 0.067 0.000 5.644 57 Q HN 0.403 nan 8.270 nan 0.000 0.298 58 R N 0.122 120.690 120.500 0.112 0.000 2.265 58 R HA 0.442 4.782 4.340 -0.000 0.000 0.314 58 R C 0.163 176.513 176.300 0.084 0.000 1.053 58 R CA 0.450 56.625 56.100 0.124 0.000 0.931 58 R CB 0.979 31.310 30.300 0.052 0.000 1.024 58 R HN 0.518 nan 8.270 nan 0.000 0.457 59 G N 2.512 111.327 108.800 0.024 0.000 2.420 59 G HA2 0.266 4.226 3.960 -0.000 0.000 0.284 59 G HA3 0.266 4.226 3.960 -0.000 0.000 0.284 59 G C -0.516 174.144 174.900 -0.399 0.000 1.177 59 G CA -0.706 44.029 45.100 -0.609 0.000 0.841 59 G HN 0.630 nan 8.290 nan 0.000 0.527 60 R N 1.114 121.426 120.500 -0.313 0.000 2.536 60 R HA 0.580 4.920 4.340 -0.000 0.000 0.279 60 R C -0.542 175.655 176.300 -0.172 0.000 1.001 60 R CA -0.869 55.129 56.100 -0.171 0.000 1.027 60 R CB 1.329 31.567 30.300 -0.102 0.000 1.096 60 R HN 0.314 nan 8.270 nan 0.000 0.502 61 I N 4.047 124.569 120.570 -0.079 0.000 2.312 61 I HA 0.088 4.258 4.170 -0.000 0.000 0.291 61 I C 0.392 176.490 176.117 -0.031 0.000 1.031 61 I CA -0.820 60.463 61.300 -0.028 0.000 1.293 61 I CB 1.049 39.064 38.000 0.025 0.000 1.403 61 I HN 0.475 nan 8.210 nan 0.000 0.484 62 L N 9.356 130.560 121.223 -0.030 0.000 2.517 62 L HA -0.018 4.322 4.340 -0.000 0.000 0.294 62 L C -1.524 175.333 176.870 -0.022 0.000 1.264 62 L CA 0.100 54.926 54.840 -0.024 0.000 0.839 62 L CB -0.248 41.803 42.059 -0.014 0.000 1.098 62 L HN 0.495 nan 8.230 nan 0.000 0.525 63 P HA 0.206 nan 4.420 nan 0.000 0.285 63 P C 0.259 177.547 177.300 -0.019 0.000 1.758 63 P CA -0.040 63.048 63.100 -0.019 0.000 1.278 63 P CB 0.851 32.541 31.700 -0.017 0.000 1.620 64 T N -1.687 112.856 114.554 -0.018 0.000 3.115 64 T HA 0.082 4.432 4.350 -0.000 0.000 0.256 64 T C 0.473 175.160 174.700 -0.022 0.000 0.970 64 T CA 0.337 62.428 62.100 -0.016 0.000 1.010 64 T CB 0.183 69.046 68.868 -0.009 0.000 1.151 64 T HN 0.273 nan 8.240 nan 0.000 0.479 65 D N 0.475 120.862 120.400 -0.022 0.000 2.385 65 D HA 0.398 5.038 4.640 -0.000 0.000 0.254 65 D C 0.685 176.947 176.300 -0.062 0.000 1.053 65 D CA -0.589 53.390 54.000 -0.034 0.000 0.992 65 D CB 1.613 42.409 40.800 -0.007 0.000 1.145 65 D HN 0.205 nan 8.370 nan 0.000 0.523 66 G N -0.294 108.433 108.800 -0.122 0.000 3.233 66 G HA2 0.070 4.030 3.960 -0.000 0.000 0.227 66 G HA3 0.070 4.030 3.960 -0.000 0.000 0.227 66 G C 0.403 175.210 174.900 -0.156 0.000 1.175 66 G CA -0.335 44.669 45.100 -0.161 0.000 0.781 66 G HN 0.381 nan 8.290 nan 0.000 0.542 67 S N -0.057 115.597 115.700 -0.076 0.000 2.572 67 S HA 0.501 4.971 4.470 -0.000 0.000 0.267 67 S C 0.523 175.204 174.600 0.136 0.000 1.361 67 S CA 0.231 58.469 58.200 0.063 0.000 1.009 67 S CB 1.224 64.478 63.200 0.091 0.000 0.888 67 S HN 0.599 nan 8.310 nan 0.000 0.553 68 A N 1.132 124.089 122.820 0.228 0.000 2.355 68 A HA 0.655 4.975 4.320 -0.000 0.000 0.324 68 A C -0.467 176.953 177.584 -0.275 0.000 1.117 68 A CA -0.667 51.325 52.037 -0.074 0.000 0.785 68 A CB 1.010 19.878 19.000 -0.219 0.000 1.254 68 A HN 0.778 nan 8.150 nan 0.000 0.453 69 E N 1.536 121.481 120.200 -0.426 0.000 2.185 69 E HA 0.576 4.926 4.350 -0.000 0.000 0.261 69 E C -1.796 174.541 176.600 -0.438 0.000 0.879 69 E CA -0.316 55.909 56.400 -0.291 0.000 0.756 69 E CB 0.698 30.322 29.700 -0.127 0.000 1.152 69 E HN 0.459 nan 8.360 nan 0.000 0.416 70 F N 2.648 122.576 119.950 -0.037 0.000 2.492 70 F HA 0.327 4.854 4.527 -0.000 0.000 0.327 70 F C 0.437 176.199 175.800 -0.063 0.000 1.079 70 F CA -1.187 56.781 58.000 -0.054 0.000 0.967 70 F CB 1.196 40.150 39.000 -0.075 0.000 1.169 70 F HN 0.385 nan 8.300 nan 0.000 0.472 71 N N 1.674 120.448 118.700 0.124 0.000 2.589 71 N HA 0.314 5.054 4.740 -0.000 0.000 0.232 71 N C -1.467 174.054 175.510 0.019 0.000 1.015 71 N CA -0.282 52.793 53.050 0.041 0.000 0.931 71 N CB 0.661 39.160 38.487 0.021 0.000 1.150 71 N HN 0.364 nan 8.380 nan 0.000 0.512 72 V N 3.807 123.697 119.914 -0.039 0.000 2.446 72 V HA 0.063 4.183 4.120 -0.000 0.000 0.276 72 V C 0.770 176.810 176.094 -0.089 0.000 1.030 72 V CA -0.043 62.194 62.300 -0.105 0.000 1.033 72 V CB 0.102 31.794 31.823 -0.219 0.000 0.993 72 V HN 0.538 nan 8.190 nan 0.000 0.477 73 K N 6.261 126.649 120.400 -0.019 0.000 2.257 73 K HA 0.356 4.676 4.320 -0.000 0.000 0.270 73 K C -0.255 176.426 176.600 0.135 0.000 1.098 73 K CA -0.238 56.084 56.287 0.057 0.000 0.943 73 K CB 0.408 32.930 32.500 0.037 0.000 1.316 73 K HN 0.813 nan 8.250 nan 0.000 0.447 74 Y N 0.302 120.557 120.300 -0.074 0.000 2.732 74 Y HA 0.647 5.197 4.550 -0.000 0.000 0.327 74 Y C -0.425 175.439 175.900 -0.060 0.000 1.162 74 Y CA -1.692 56.363 58.100 -0.075 0.000 1.238 74 Y CB 1.159 39.563 38.460 -0.093 0.000 1.443 74 Y HN 0.241 nan 8.280 nan 0.000 0.584 75 R N 1.306 121.657 120.500 -0.248 0.000 2.604 75 R HA 0.774 5.114 4.340 -0.000 0.000 0.270 75 R C -2.244 173.838 176.300 -0.363 0.000 1.052 75 R CA -0.431 55.471 56.100 -0.330 0.000 0.902 75 R CB 2.181 32.410 30.300 -0.118 0.000 1.233 75 R HN 1.129 nan 8.270 nan 0.000 0.455 76 A N 2.363 124.984 122.820 -0.331 0.000 2.581 76 A HA 0.537 4.857 4.320 -0.000 0.000 0.290 76 A C -1.631 175.927 177.584 -0.043 0.000 1.119 76 A CA -0.607 51.318 52.037 -0.187 0.000 0.670 76 A CB 1.925 20.771 19.000 -0.256 0.000 1.280 76 A HN 0.360 nan 8.150 nan 0.000 0.425 77 V N 1.799 121.737 119.914 0.039 0.000 2.348 77 V HA 0.479 4.599 4.120 -0.000 0.000 0.270 77 V C 0.064 176.290 176.094 0.220 0.000 1.037 77 V CA 0.041 62.426 62.300 0.142 0.000 0.872 77 V CB 0.655 32.557 31.823 0.132 0.000 1.002 77 V HN 1.060 nan 8.190 nan 0.000 0.464 78 V N 3.244 123.329 119.914 0.285 0.000 3.096 78 V HA 0.729 4.849 4.120 -0.000 0.000 0.319 78 V C -0.845 175.517 176.094 0.446 0.000 1.103 78 V CA -0.998 61.504 62.300 0.336 0.000 1.016 78 V CB 2.068 34.057 31.823 0.276 0.000 1.090 78 V HN 0.600 nan 8.190 nan 0.000 0.449 79 F N 1.760 121.822 119.950 0.187 0.000 2.828 79 F HA 0.622 5.149 4.527 -0.000 0.000 0.355 79 F C -0.504 175.355 175.800 0.097 0.000 1.200 79 F CA -0.748 57.235 58.000 -0.027 0.000 1.062 79 F CB 1.208 39.965 39.000 -0.406 0.000 1.351 79 F HN 0.729 nan 8.300 nan 0.000 0.504 80 K N 8.810 129.044 120.400 -0.275 0.000 2.339 80 K HA 0.536 4.856 4.320 -0.000 0.000 0.264 80 K C -2.919 173.349 176.600 -0.553 0.000 0.986 80 K CA -2.152 53.916 56.287 -0.365 0.000 0.866 80 K CB 1.669 34.052 32.500 -0.194 0.000 1.103 80 K HN 0.295 nan 8.250 nan 0.000 0.441 81 P HA 0.251 nan 4.420 nan 0.000 0.276 81 P C -1.002 176.067 177.300 -0.385 0.000 1.252 81 P CA -0.282 62.566 63.100 -0.420 0.000 0.802 81 P CB 0.693 32.199 31.700 -0.325 0.000 1.035 82 F N -1.262 118.633 119.950 -0.092 0.000 2.650 82 F HA 0.459 4.986 4.527 -0.000 0.000 0.320 82 F C 0.773 176.560 175.800 -0.021 0.000 1.091 82 F CA -1.066 56.910 58.000 -0.041 0.000 0.962 82 F CB 1.473 40.466 39.000 -0.012 0.000 1.363 82 F HN 0.146 nan 8.300 nan 0.000 0.482 83 K N 0.232 120.750 120.400 0.195 0.000 2.249 83 K HA 0.478 4.798 4.320 -0.000 0.000 0.280 83 K C 0.808 177.473 176.600 0.107 0.000 1.033 83 K CA 0.795 57.147 56.287 0.109 0.000 0.946 83 K CB 0.622 33.167 32.500 0.075 0.000 1.005 83 K HN 0.890 nan 8.250 nan 0.000 0.469 84 G N 2.376 111.219 108.800 0.072 0.000 2.176 84 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.253 84 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.253 84 G C -0.100 174.831 174.900 0.052 0.000 0.979 84 G CA 0.291 45.422 45.100 0.053 0.000 0.641 84 G HN 0.679 nan 8.290 nan 0.000 0.530 85 E N 0.790 121.036 120.200 0.077 0.000 2.223 85 E HA 0.433 4.783 4.350 -0.000 0.000 0.282 85 E C 0.250 176.887 176.600 0.061 0.000 1.046 85 E CA -0.484 55.957 56.400 0.069 0.000 0.857 85 E CB 0.866 30.636 29.700 0.117 0.000 1.055 85 E HN 0.142 nan 8.360 nan 0.000 0.409 86 V N 5.798 125.740 119.914 0.046 0.000 2.432 86 V HA 0.219 4.339 4.120 -0.000 0.000 0.271 86 V C 0.263 176.391 176.094 0.057 0.000 1.046 86 V CA -0.327 62.002 62.300 0.048 0.000 0.945 86 V CB 0.674 32.519 31.823 0.037 0.000 0.992 86 V HN 0.493 nan 8.190 nan 0.000 0.471 87 V N 1.908 121.861 119.914 0.066 0.000 2.971 87 V HA 0.903 5.023 4.120 -0.000 0.000 0.309 87 V C -1.573 174.560 176.094 0.066 0.000 1.130 87 V CA -0.929 61.417 62.300 0.077 0.000 0.964 87 V CB 2.617 34.503 31.823 0.104 0.000 1.029 87 V HN 0.820 nan 8.190 nan 0.000 0.427 88 D N 2.019 122.455 120.400 0.059 0.000 2.649 88 D HA 0.841 5.481 4.640 -0.000 0.000 0.249 88 D C 0.153 176.476 176.300 0.037 0.000 1.112 88 D CA -0.001 54.027 54.000 0.048 0.000 0.850 88 D CB 1.678 42.500 40.800 0.038 0.000 1.399 88 D HN 1.074 nan 8.370 nan 0.000 0.503 89 G N 0.010 108.831 108.800 0.034 0.000 3.021 89 G HA2 0.648 4.608 3.960 -0.000 0.000 0.290 89 G HA3 0.648 4.608 3.960 -0.000 0.000 0.290 89 G C -1.009 173.899 174.900 0.014 0.000 1.291 89 G CA -0.800 44.312 45.100 0.020 0.000 0.834 89 G HN 0.431 nan 8.290 nan 0.000 0.564 90 T N 0.129 114.689 114.554 0.010 0.000 2.895 90 T HA 0.548 4.897 4.350 -0.000 0.000 0.283 90 T C 0.281 174.990 174.700 0.014 0.000 1.014 90 T CA -0.322 61.778 62.100 0.000 0.000 1.037 90 T CB 1.961 70.827 68.868 -0.003 0.000 1.006 90 T HN 0.356 nan 8.240 nan 0.000 0.468 91 V N 2.655 122.559 119.914 -0.017 0.000 3.096 91 V HA 0.160 4.280 4.120 -0.000 0.000 0.306 91 V C 0.772 176.893 176.094 0.045 0.000 1.088 91 V CA 0.314 62.614 62.300 -0.001 0.000 1.129 91 V CB 1.157 32.916 31.823 -0.106 0.000 1.014 91 V HN 0.835 nan 8.190 nan 0.000 0.486 92 V N 1.022 120.994 119.914 0.096 0.000 3.914 92 V HA 0.167 4.287 4.120 -0.000 0.000 0.187 92 V C 0.520 176.682 176.094 0.113 0.000 1.258 92 V CA 0.711 63.065 62.300 0.091 0.000 1.298 92 V CB 0.905 32.784 31.823 0.094 0.000 1.453 92 V HN 0.854 nan 8.190 nan 0.000 0.553 93 S N -0.337 115.456 115.700 0.155 0.000 2.722 93 S HA 0.662 5.132 4.470 -0.000 0.000 0.292 93 S C -0.644 174.103 174.600 0.246 0.000 1.135 93 S CA -0.468 57.831 58.200 0.165 0.000 1.003 93 S CB 1.927 65.208 63.200 0.135 0.000 1.067 93 S HN 0.675 nan 8.310 nan 0.000 0.546 94 C N 2.366 121.815 119.300 0.248 0.000 2.968 94 C HA 0.664 5.124 4.460 -0.000 0.000 0.389 94 C C 0.117 175.277 174.990 0.284 0.000 1.068 94 C CA 0.072 59.294 59.018 0.340 0.000 1.272 94 C CB -0.180 27.783 27.740 0.372 0.000 1.711 94 C HN 1.187 nan 8.230 nan 0.000 0.501 95 S N 4.009 119.829 115.700 0.200 0.000 2.694 95 S HA 0.457 4.927 4.470 -0.000 0.000 0.286 95 S C 0.950 175.211 174.600 -0.566 0.000 1.080 95 S CA 0.161 58.359 58.200 -0.004 0.000 0.953 95 S CB 0.852 64.087 63.200 0.058 0.000 1.313 95 S HN 0.931 nan 8.310 nan 0.000 0.555 96 Q N -0.458 118.900 119.800 -0.737 0.000 2.389 96 Q HA 0.082 4.422 4.340 -0.000 0.000 0.204 96 Q C 1.015 176.650 176.000 -0.609 0.000 0.944 96 Q CA 0.836 55.931 55.803 -1.179 0.000 0.908 96 Q CB -0.448 27.966 28.738 -0.540 0.000 1.002 96 Q HN 0.779 nan 8.270 nan 0.000 0.493 97 H N 0.110 119.114 119.070 -0.109 0.000 2.553 97 H HA 0.393 4.949 4.556 -0.000 0.000 0.265 97 H C 0.791 176.093 175.328 -0.044 0.000 0.964 97 H CA 1.023 57.084 56.048 0.021 0.000 1.156 97 H CB 1.196 31.040 29.762 0.137 0.000 1.411 97 H HN 0.455 nan 8.280 nan 0.000 0.558 98 G N 0.619 109.428 108.800 0.016 0.000 2.350 98 G HA2 0.191 4.151 3.960 -0.000 0.000 0.282 98 G HA3 0.191 4.151 3.960 -0.000 0.000 0.282 98 G C -1.774 173.114 174.900 -0.021 0.000 1.314 98 G CA -0.563 44.325 45.100 -0.352 0.000 0.915 98 G HN 0.157 nan 8.290 nan 0.000 0.499 99 F N -0.938 118.924 119.950 -0.146 0.000 2.588 99 F HA 0.902 5.429 4.527 -0.000 0.000 0.314 99 F C -0.607 175.313 175.800 0.200 0.000 1.069 99 F CA -1.645 56.409 58.000 0.090 0.000 0.931 99 F CB 2.208 41.195 39.000 -0.022 0.000 1.260 99 F HN 0.614 nan 8.300 nan 0.000 0.465 100 E N 2.078 122.631 120.200 0.588 0.000 2.133 100 E HA 0.578 4.928 4.350 -0.000 0.000 0.274 100 E C -1.507 175.311 176.600 0.363 0.000 0.930 100 E CA -0.798 55.899 56.400 0.495 0.000 0.770 100 E CB 1.851 31.776 29.700 0.375 0.000 1.104 100 E HN 0.670 nan 8.360 nan 0.000 0.403 101 V N 3.807 123.909 119.914 0.314 0.000 2.644 101 V HA 0.173 4.293 4.120 -0.000 0.000 0.295 101 V C -0.170 175.990 176.094 0.110 0.000 1.053 101 V CA -0.457 61.962 62.300 0.198 0.000 0.987 101 V CB 1.666 33.606 31.823 0.196 0.000 1.006 101 V HN 0.685 nan 8.190 nan 0.000 0.472 102 Q N 3.267 123.104 119.800 0.062 0.000 2.368 102 Q HA 0.509 4.849 4.340 -0.000 0.000 0.263 102 Q C -1.467 174.524 176.000 -0.015 0.000 1.009 102 Q CA -0.214 55.598 55.803 0.015 0.000 0.818 102 Q CB 1.647 30.391 28.738 0.010 0.000 1.239 102 Q HN 0.520 nan 8.270 nan 0.000 0.464 103 V N 5.547 125.438 119.914 -0.040 0.000 2.293 103 V HA 0.693 4.813 4.120 -0.000 0.000 0.275 103 V C 0.926 176.883 176.094 -0.229 0.000 1.021 103 V CA 0.382 62.641 62.300 -0.069 0.000 0.815 103 V CB 0.186 32.015 31.823 0.011 0.000 1.025 103 V HN 1.059 nan 8.190 nan 0.000 0.448 104 G N 7.619 116.275 108.800 -0.241 0.000 2.583 104 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.292 104 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.292 104 G C -0.835 173.848 174.900 -0.361 0.000 1.203 104 G CA 0.351 45.225 45.100 -0.377 0.000 0.987 104 G HN 0.574 nan 8.290 nan 0.000 0.554 105 P HA 0.085 nan 4.420 nan 0.000 0.229 105 P C 1.075 178.109 177.300 -0.443 0.000 1.160 105 P CA 1.380 64.201 63.100 -0.465 0.000 0.777 105 P CB 0.163 31.451 31.700 -0.686 0.000 0.814 106 M N -0.073 119.282 119.600 -0.409 0.000 2.494 106 M HA 0.380 4.860 4.480 -0.000 0.000 0.300 106 M C -0.721 175.515 176.300 -0.107 0.000 1.189 106 M CA -0.447 54.753 55.300 -0.166 0.000 0.982 106 M CB 1.687 34.293 32.600 0.010 0.000 1.534 106 M HN -0.383 nan 8.290 nan 0.000 0.488 107 K N 1.912 122.218 120.400 -0.156 0.000 2.463 107 K HA 0.529 4.849 4.320 -0.000 0.000 0.255 107 K C -1.770 174.619 176.600 -0.351 0.000 0.942 107 K CA -0.676 55.499 56.287 -0.188 0.000 0.814 107 K CB 2.320 34.740 32.500 -0.133 0.000 1.122 107 K HN 0.500 nan 8.250 nan 0.000 0.425 108 V N 3.962 123.828 119.914 -0.079 0.000 2.472 108 V HA 0.407 4.527 4.120 -0.000 0.000 0.290 108 V C -0.680 175.540 176.094 0.209 0.000 1.037 108 V CA -0.796 61.517 62.300 0.023 0.000 0.908 108 V CB 1.070 32.923 31.823 0.050 0.000 0.985 108 V HN 0.562 nan 8.190 nan 0.000 0.454 109 F N 4.874 124.883 119.950 0.098 0.000 2.444 109 F HA 0.676 5.203 4.527 -0.000 0.000 0.342 109 F C -0.283 175.444 175.800 -0.121 0.000 1.121 109 F CA -0.969 57.057 58.000 0.044 0.000 0.997 109 F CB 1.670 40.744 39.000 0.124 0.000 1.130 109 F HN 0.232 nan 8.300 nan 0.000 0.454 110 V N 5.316 124.657 119.914 -0.954 0.000 2.333 110 V HA 0.236 4.356 4.120 -0.000 0.000 0.274 110 V C 0.264 175.441 176.094 -1.529 0.000 1.028 110 V CA -0.688 60.948 62.300 -1.107 0.000 0.851 110 V CB 0.997 32.071 31.823 -1.249 0.000 1.000 110 V HN 0.842 nan 8.190 nan 0.000 0.456 111 T N 4.053 117.922 114.554 -1.143 0.000 2.814 111 T HA 0.192 4.542 4.350 -0.000 0.000 0.297 111 T C 1.208 175.378 174.700 -0.883 0.000 0.956 111 T CA -0.334 61.184 62.100 -0.970 0.000 1.123 111 T CB 0.617 69.135 68.868 -0.584 0.000 0.902 111 T HN 0.807 nan 8.240 nan 0.000 0.528 112 K N 3.815 123.765 120.400 -0.749 0.000 2.067 112 K HA -0.277 4.043 4.320 -0.000 0.000 0.226 112 K C 1.536 177.888 176.600 -0.413 0.000 1.046 112 K CA 2.809 58.806 56.287 -0.483 0.000 0.967 112 K CB -0.810 31.594 32.500 -0.160 0.000 0.749 112 K HN 0.916 nan 8.250 nan 0.000 0.456 113 H N -0.941 118.080 119.070 -0.082 0.000 2.612 113 H HA 0.133 4.689 4.556 -0.000 0.000 0.285 113 H C 0.609 175.888 175.328 -0.082 0.000 1.066 113 H CA 0.481 56.498 56.048 -0.052 0.000 1.180 113 H CB -0.130 29.619 29.762 -0.022 0.000 1.312 113 H HN 0.154 nan 8.280 nan 0.000 0.606 114 L N 0.372 121.443 121.223 -0.254 0.000 3.122 114 L HA 0.302 4.642 4.340 -0.000 0.000 0.274 114 L C 0.071 176.830 176.870 -0.185 0.000 1.222 114 L CA 0.188 54.915 54.840 -0.188 0.000 1.028 114 L CB 0.435 42.341 42.059 -0.254 0.000 1.386 114 L HN 0.130 nan 8.230 nan 0.000 0.578 115 M N 0.067 119.565 119.600 -0.168 0.000 2.811 115 M HA 0.505 4.985 4.480 -0.000 0.000 0.303 115 M C -2.269 174.014 176.300 -0.028 0.000 1.227 115 M CA -1.813 53.422 55.300 -0.109 0.000 0.874 115 M CB 1.379 33.901 32.600 -0.131 0.000 1.681 115 M HN -0.256 nan 8.290 nan 0.000 0.500 116 P HA 0.054 nan 4.420 nan 0.000 0.272 116 P C -0.842 176.484 177.300 0.043 0.000 1.230 116 P CA 0.140 63.253 63.100 0.022 0.000 0.788 116 P CB 0.612 32.329 31.700 0.027 0.000 0.949 117 Q N 1.034 120.860 119.800 0.043 0.000 2.083 117 Q HA -0.168 4.172 4.340 -0.000 0.000 0.198 117 Q C 1.552 177.593 176.000 0.068 0.000 0.969 117 Q CA 2.077 57.914 55.803 0.058 0.000 0.838 117 Q CB -0.564 28.201 28.738 0.045 0.000 0.900 117 Q HN 0.625 nan 8.270 nan 0.000 0.436 118 D N 0.340 120.773 120.400 0.055 0.000 2.354 118 D HA -0.141 4.499 4.640 -0.000 0.000 0.216 118 D C 0.232 176.578 176.300 0.077 0.000 0.970 118 D CA 0.406 54.438 54.000 0.054 0.000 0.905 118 D CB -0.060 40.763 40.800 0.038 0.000 0.903 118 D HN 0.029 nan 8.370 nan 0.000 0.508 119 L N 1.601 122.886 121.223 0.103 0.000 2.313 119 L HA 0.320 4.660 4.340 -0.000 0.000 0.282 119 L C 0.225 177.226 176.870 0.218 0.000 1.092 119 L CA -0.121 54.814 54.840 0.159 0.000 0.831 119 L CB 0.740 42.903 42.059 0.173 0.000 1.159 119 L HN 0.192 nan 8.230 nan 0.000 0.442 120 T N 2.037 116.711 114.554 0.200 0.000 2.937 120 T HA 0.512 4.862 4.350 -0.000 0.000 0.283 120 T C -0.444 174.342 174.700 0.142 0.000 1.012 120 T CA -0.600 61.602 62.100 0.170 0.000 0.997 120 T CB 1.040 69.945 68.868 0.062 0.000 1.136 120 T HN 0.330 nan 8.240 nan 0.000 0.551 121 F N 2.594 122.416 119.950 -0.213 0.000 2.361 121 F HA 0.537 5.064 4.527 -0.000 0.000 0.364 121 F C -0.310 175.262 175.800 -0.381 0.000 1.117 121 F CA -1.764 55.819 58.000 -0.696 0.000 1.071 121 F CB 0.593 39.191 39.000 -0.671 0.000 1.188 121 F HN 0.681 nan 8.300 nan 0.000 0.464 122 N N 4.930 123.179 118.700 -0.753 0.000 2.521 122 N HA 0.372 5.112 4.740 -0.000 0.000 0.236 122 N C 0.596 175.522 175.510 -0.972 0.000 1.067 122 N CA 0.411 53.069 53.050 -0.653 0.000 0.939 122 N CB 1.171 39.472 38.487 -0.310 0.000 1.201 122 N HN 0.715 nan 8.380 nan 0.000 0.511 123 A N 2.829 124.957 122.820 -1.154 0.000 1.872 123 A HA 0.073 4.393 4.320 -0.000 0.000 0.214 123 A C 1.619 178.979 177.584 -0.373 0.000 1.187 123 A CA 1.178 52.688 52.037 -0.879 0.000 0.614 123 A CB -0.893 17.770 19.000 -0.560 0.000 0.826 123 A HN 0.597 nan 8.150 nan 0.000 0.442 124 G N 0.627 109.253 108.800 -0.289 0.000 3.324 124 G HA2 0.337 4.297 3.960 -0.000 0.000 0.232 124 G HA3 0.337 4.297 3.960 -0.000 0.000 0.232 124 G C 0.386 175.204 174.900 -0.137 0.000 1.213 124 G CA 0.695 45.697 45.100 -0.165 0.000 1.637 124 G HN 0.789 nan 8.290 nan 0.000 0.572 125 S N -1.090 114.523 115.700 -0.145 0.000 2.671 125 S HA 0.669 5.139 4.470 -0.000 0.000 0.299 125 S C -0.850 173.721 174.600 -0.048 0.000 1.116 125 S CA -1.128 57.016 58.200 -0.093 0.000 0.912 125 S CB 2.542 65.678 63.200 -0.107 0.000 1.130 125 S HN 0.286 nan 8.310 nan 0.000 0.501 126 N N 0.933 119.619 118.700 -0.023 0.000 2.648 126 N HA 0.325 5.065 4.740 -0.000 0.000 0.272 126 N C -3.037 172.476 175.510 0.005 0.000 1.118 126 N CA -0.976 52.074 53.050 -0.000 0.000 0.973 126 N CB 1.284 39.771 38.487 -0.001 0.000 1.565 126 N HN 0.716 nan 8.380 nan 0.000 0.542 127 P HA 0.304 nan 4.420 nan 0.000 0.271 127 P C -2.796 174.532 177.300 0.047 0.000 1.218 127 P CA -0.771 62.352 63.100 0.038 0.000 0.780 127 P CB 0.019 31.746 31.700 0.044 0.000 0.901 128 P HA -0.041 nan 4.420 nan 0.000 0.264 128 P C 0.052 177.440 177.300 0.147 0.000 1.173 128 P CA 0.768 63.931 63.100 0.104 0.000 0.761 128 P CB 0.248 32.082 31.700 0.224 0.000 0.794 129 S N 1.739 117.486 115.700 0.078 0.000 2.794 129 S HA 0.668 5.138 4.470 -0.000 0.000 0.299 129 S C -1.672 172.979 174.600 0.085 0.000 1.179 129 S CA -0.647 57.633 58.200 0.134 0.000 0.838 129 S CB 1.061 64.290 63.200 0.048 0.000 1.206 129 S HN 0.249 nan 8.310 nan 0.000 0.523 130 Y N 0.767 121.161 120.300 0.157 0.000 2.329 130 Y HA 0.469 5.019 4.550 -0.000 0.000 0.328 130 Y C -0.251 175.701 175.900 0.086 0.000 0.992 130 Y CA -0.438 57.775 58.100 0.187 0.000 1.151 130 Y CB 2.093 40.697 38.460 0.240 0.000 1.150 130 Y HN 0.627 nan 8.280 nan 0.000 0.450 131 Q N 2.010 121.886 119.800 0.126 0.000 2.312 131 Q HA 0.619 4.959 4.340 -0.000 0.000 0.263 131 Q C -0.729 175.323 176.000 0.087 0.000 0.995 131 Q CA -0.846 55.004 55.803 0.078 0.000 0.853 131 Q CB 2.719 31.466 28.738 0.014 0.000 1.300 131 Q HN 0.585 nan 8.270 nan 0.000 0.448 132 S N 0.198 115.940 115.700 0.070 0.000 2.726 132 S HA 0.306 4.776 4.470 -0.000 0.000 0.308 132 S C 0.860 175.481 174.600 0.034 0.000 1.115 132 S CA -0.475 57.761 58.200 0.059 0.000 0.965 132 S CB 1.468 64.703 63.200 0.059 0.000 1.145 132 S HN 0.653 nan 8.310 nan 0.000 0.532 133 S N 1.500 117.217 115.700 0.027 0.000 2.374 133 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 133 S C 1.511 176.119 174.600 0.013 0.000 1.037 133 S CA 2.107 60.317 58.200 0.017 0.000 1.024 133 S CB -0.517 62.691 63.200 0.013 0.000 0.861 133 S HN 0.838 nan 8.310 nan 0.000 0.456 134 E N 0.683 120.892 120.200 0.015 0.000 2.175 134 E HA 0.139 4.489 4.350 -0.000 0.000 0.195 134 E C -0.074 176.535 176.600 0.014 0.000 0.934 134 E CA 0.144 56.551 56.400 0.012 0.000 0.870 134 E CB -0.112 29.593 29.700 0.009 0.000 0.838 134 E HN 0.262 nan 8.360 nan 0.000 0.474 135 D N 0.891 121.304 120.400 0.022 0.000 2.387 135 D HA 0.336 4.976 4.640 -0.000 0.000 0.251 135 D C -0.534 175.784 176.300 0.031 0.000 1.141 135 D CA -0.366 53.648 54.000 0.023 0.000 0.987 135 D CB 2.407 43.224 40.800 0.029 0.000 1.116 135 D HN -0.087 nan 8.370 nan 0.000 0.491 136 V N 1.839 121.768 119.914 0.025 0.000 2.757 136 V HA 0.185 4.305 4.120 -0.000 0.000 0.262 136 V C -0.177 175.925 176.094 0.015 0.000 0.971 136 V CA -0.484 61.835 62.300 0.030 0.000 0.906 136 V CB 0.921 32.753 31.823 0.014 0.000 1.056 136 V HN 0.365 nan 8.190 nan 0.000 0.489 137 I N 3.676 124.262 120.570 0.026 0.000 2.396 137 I HA 0.751 4.921 4.170 -0.000 0.000 0.292 137 I C 0.406 176.508 176.117 -0.025 0.000 0.999 137 I CA 0.450 61.712 61.300 -0.063 0.000 1.310 137 I CB 1.826 39.709 38.000 -0.195 0.000 1.404 137 I HN 0.589 nan 8.210 nan 0.000 0.496 138 T N 4.680 119.188 114.554 -0.077 0.000 2.722 138 T HA 0.182 4.532 4.350 -0.000 0.000 0.314 138 T C 0.731 175.415 174.700 -0.027 0.000 1.675 138 T CA -0.648 61.446 62.100 -0.010 0.000 1.003 138 T CB 1.244 70.130 68.868 0.029 0.000 1.602 138 T HN 0.657 nan 8.240 nan 0.000 0.496 139 I N 0.830 121.414 120.570 0.023 0.000 3.883 139 I HA -0.467 3.703 4.170 -0.000 0.000 0.151 139 I C 1.325 177.444 176.117 0.003 0.000 0.677 139 I CA 2.336 63.653 61.300 0.028 0.000 1.012 139 I CB -0.087 37.933 38.000 0.034 0.000 0.844 139 I HN 0.745 nan 8.210 nan 0.000 0.263 140 K N 0.332 120.726 120.400 -0.011 0.000 2.387 140 K HA 0.179 4.499 4.320 -0.000 0.000 0.203 140 K C 0.318 176.898 176.600 -0.033 0.000 1.030 140 K CA 0.477 56.755 56.287 -0.016 0.000 1.099 140 K CB 0.524 33.020 32.500 -0.006 0.000 0.863 140 K HN 0.507 nan 8.250 nan 0.000 0.529 141 S N 1.490 117.156 115.700 -0.058 0.000 2.549 141 S HA 0.202 4.672 4.470 -0.000 0.000 0.283 141 S C 0.131 174.685 174.600 -0.077 0.000 1.320 141 S CA -0.730 57.428 58.200 -0.070 0.000 1.058 141 S CB 0.896 64.038 63.200 -0.096 0.000 0.882 141 S HN 0.141 nan 8.310 nan 0.000 0.498 142 R N 1.469 121.939 120.500 -0.050 0.000 2.490 142 R HA 0.622 4.962 4.340 -0.000 0.000 0.278 142 R C -0.339 175.937 176.300 -0.040 0.000 1.069 142 R CA -0.201 55.878 56.100 -0.035 0.000 1.080 142 R CB 0.443 30.732 30.300 -0.018 0.000 1.030 142 R HN 0.646 nan 8.270 nan 0.000 0.491 143 I N 1.030 121.588 120.570 -0.020 0.000 2.827 143 I HA 0.294 4.464 4.170 -0.000 0.000 0.298 143 I C -0.542 175.597 176.117 0.037 0.000 1.235 143 I CA -0.941 60.359 61.300 0.001 0.000 1.021 143 I CB 2.731 40.724 38.000 -0.011 0.000 1.259 143 I HN 0.451 nan 8.210 nan 0.000 0.427 144 R N 4.707 125.235 120.500 0.048 0.000 2.215 144 R HA 0.653 4.993 4.340 -0.000 0.000 0.337 144 R C -1.712 174.628 176.300 0.068 0.000 1.010 144 R CA -0.314 55.820 56.100 0.056 0.000 0.871 144 R CB 0.939 31.273 30.300 0.055 0.000 1.134 144 R HN 0.447 nan 8.270 nan 0.000 0.477 145 V N 4.058 124.013 119.914 0.069 0.000 2.732 145 V HA 0.355 4.475 4.120 -0.000 0.000 0.310 145 V C -0.173 175.951 176.094 0.050 0.000 1.053 145 V CA -0.831 61.506 62.300 0.062 0.000 0.957 145 V CB 1.807 33.671 31.823 0.068 0.000 1.018 145 V HN 0.651 nan 8.190 nan 0.000 0.452 146 K N 3.747 124.169 120.400 0.035 0.000 2.293 146 K HA 0.506 4.826 4.320 -0.000 0.000 0.267 146 K C -0.811 175.806 176.600 0.029 0.000 1.010 146 K CA -0.566 55.742 56.287 0.035 0.000 0.875 146 K CB 0.894 33.413 32.500 0.031 0.000 1.106 146 K HN 0.644 nan 8.250 nan 0.000 0.450 147 I N 5.298 125.893 120.570 0.042 0.000 2.494 147 I HA -0.047 4.123 4.170 -0.000 0.000 0.289 147 I C 1.300 177.440 176.117 0.038 0.000 1.106 147 I CA -0.009 61.316 61.300 0.042 0.000 1.369 147 I CB 0.740 38.773 38.000 0.056 0.000 1.410 147 I HN 0.664 nan 8.210 nan 0.000 0.523 148 E N 4.790 125.004 120.200 0.024 0.000 2.230 148 E HA 0.125 4.475 4.350 -0.000 0.000 0.192 148 E C 0.881 177.497 176.600 0.027 0.000 0.987 148 E CA 0.213 56.625 56.400 0.020 0.000 0.841 148 E CB 0.491 30.193 29.700 0.004 0.000 0.783 148 E HN 0.815 nan 8.360 nan 0.000 0.481 149 G N -0.148 108.671 108.800 0.033 0.000 2.691 149 G HA2 0.354 4.314 3.960 -0.000 0.000 0.298 149 G HA3 0.354 4.314 3.960 -0.000 0.000 0.298 149 G C -1.021 173.901 174.900 0.037 0.000 1.471 149 G CA -0.684 44.434 45.100 0.031 0.000 0.912 149 G HN 0.047 nan 8.290 nan 0.000 0.553 150 C N 0.425 119.735 119.300 0.015 0.000 2.399 150 C HA 0.829 5.289 4.460 -0.000 0.000 0.348 150 C C 0.043 175.042 174.990 0.013 0.000 1.183 150 C CA -0.499 58.526 59.018 0.012 0.000 2.023 150 C CB 0.701 28.411 27.740 -0.049 0.000 2.361 150 C HN 0.618 nan 8.230 nan 0.000 0.521 151 I N 1.976 122.568 120.570 0.037 0.000 2.595 151 I HA 0.196 4.366 4.170 -0.000 0.000 0.276 151 I C 0.270 176.400 176.117 0.023 0.000 1.109 151 I CA 0.102 61.417 61.300 0.025 0.000 1.084 151 I CB 0.891 38.916 38.000 0.041 0.000 1.206 151 I HN 0.678 nan 8.210 nan 0.000 0.486 152 S N 4.221 119.909 115.700 -0.020 0.000 2.549 152 S HA 0.306 4.776 4.470 -0.000 0.000 0.286 152 S C -0.252 174.334 174.600 -0.024 0.000 1.314 152 S CA -0.321 57.858 58.200 -0.036 0.000 1.062 152 S CB 1.320 64.476 63.200 -0.074 0.000 0.865 152 S HN 0.723 nan 8.310 nan 0.000 0.498 153 Q N 2.571 122.358 119.800 -0.023 0.000 2.406 153 Q HA 0.457 4.797 4.340 -0.000 0.000 0.244 153 Q C -0.049 175.933 176.000 -0.029 0.000 0.884 153 Q CA -0.496 55.297 55.803 -0.017 0.000 0.813 153 Q CB 0.886 29.632 28.738 0.012 0.000 1.368 153 Q HN 0.791 nan 8.270 nan 0.000 0.439 154 V N 1.285 121.178 119.914 -0.036 0.000 0.683 154 V HA -0.428 3.692 4.120 -0.000 0.000 0.092 154 V C 0.414 176.473 176.094 -0.059 0.000 0.896 154 V CA 2.001 64.279 62.300 -0.037 0.000 3.121 154 V CB -1.870 29.940 31.823 -0.022 0.000 0.258 154 V HN 1.011 nan 8.190 nan 0.000 0.207 155 S N 1.322 116.985 115.700 -0.062 0.000 2.312 155 S HA 0.725 5.195 4.470 -0.000 0.000 0.211 155 S C -0.360 174.143 174.600 -0.163 0.000 1.315 155 S CA 0.530 58.670 58.200 -0.101 0.000 1.267 155 S CB 0.597 63.767 63.200 -0.050 0.000 1.072 155 S HN 2.402 nan 8.310 nan 0.000 0.490 156 S N 0.201 115.769 115.700 -0.220 0.000 2.701 156 S HA 0.555 5.025 4.470 -0.000 0.000 0.267 156 S C -1.643 172.903 174.600 -0.090 0.000 1.034 156 S CA -1.171 56.885 58.200 -0.240 0.000 0.867 156 S CB 0.034 63.266 63.200 0.053 0.000 1.123 156 S HN 0.405 nan 8.310 nan 0.000 0.470 157 I N 1.220 121.870 120.570 0.132 0.000 2.533 157 I HA 0.510 4.680 4.170 -0.000 0.000 0.290 157 I C -0.719 175.504 176.117 0.177 0.000 1.056 157 I CA -0.428 60.959 61.300 0.145 0.000 1.057 157 I CB 2.163 40.257 38.000 0.156 0.000 1.240 157 I HN 0.874 nan 8.210 nan 0.000 0.423 158 H N 3.876 122.992 119.070 0.077 0.000 2.621 158 H HA 0.874 5.430 4.556 -0.000 0.000 0.360 158 H C -0.973 174.390 175.328 0.057 0.000 1.163 158 H CA -0.383 55.711 56.048 0.077 0.000 1.194 158 H CB 1.978 31.770 29.762 0.050 0.000 1.649 158 H HN 0.743 nan 8.280 nan 0.000 0.532 159 A N 3.543 126.485 122.820 0.203 0.000 2.594 159 A HA 0.579 4.899 4.320 -0.000 0.000 0.291 159 A C -1.521 176.211 177.584 0.246 0.000 1.105 159 A CA -0.681 51.465 52.037 0.182 0.000 0.694 159 A CB 1.334 20.374 19.000 0.066 0.000 1.291 159 A HN 0.603 nan 8.150 nan 0.000 0.410 160 I N 0.801 121.459 120.570 0.148 0.000 2.474 160 I HA 0.628 4.798 4.170 -0.000 0.000 0.294 160 I C 0.515 176.644 176.117 0.019 0.000 1.005 160 I CA -0.456 60.906 61.300 0.103 0.000 1.113 160 I CB 2.094 40.143 38.000 0.081 0.000 1.289 160 I HN 0.826 nan 8.210 nan 0.000 0.436 161 G N 2.971 111.742 108.800 -0.048 0.000 2.642 161 G HA2 0.662 4.622 3.960 -0.000 0.000 0.293 161 G HA3 0.662 4.622 3.960 -0.000 0.000 0.293 161 G C -1.179 173.640 174.900 -0.134 0.000 1.341 161 G CA -0.441 44.623 45.100 -0.059 0.000 0.916 161 G HN 0.615 nan 8.290 nan 0.000 0.474 162 S N -1.338 114.309 115.700 -0.089 0.000 2.638 162 S HA 0.696 5.166 4.470 -0.000 0.000 0.302 162 S C 0.212 174.779 174.600 -0.055 0.000 1.096 162 S CA -0.698 57.438 58.200 -0.107 0.000 0.953 162 S CB 1.651 64.807 63.200 -0.072 0.000 1.107 162 S HN 1.237 nan 8.310 nan 0.000 0.503 163 I N -2.017 118.522 120.570 -0.053 0.000 3.597 163 I HA 0.512 4.682 4.170 -0.000 0.000 0.323 163 I C 0.757 176.872 176.117 -0.004 0.000 1.535 163 I CA -0.547 60.754 61.300 0.001 0.000 1.028 163 I CB 0.160 38.189 38.000 0.048 0.000 1.354 163 I HN 0.627 nan 8.210 nan 0.000 0.544 164 K N 1.299 121.688 120.400 -0.019 0.000 2.356 164 K HA 0.166 4.486 4.320 -0.000 0.000 0.195 164 K C 0.911 177.508 176.600 -0.006 0.000 1.037 164 K CA 0.322 56.600 56.287 -0.014 0.000 1.014 164 K CB 0.484 32.971 32.500 -0.021 0.000 0.815 164 K HN 0.365 nan 8.250 nan 0.000 0.507 165 E N 1.103 121.305 120.200 0.004 0.000 2.855 165 E HA 0.028 4.378 4.350 -0.000 0.000 0.259 165 E C -0.360 176.242 176.600 0.003 0.000 1.390 165 E CA -0.099 56.308 56.400 0.013 0.000 1.069 165 E CB 0.182 29.902 29.700 0.034 0.000 1.172 165 E HN 0.128 nan 8.360 nan 0.000 0.668 166 D N -0.922 119.481 120.400 0.005 0.000 2.348 166 D HA 0.126 4.766 4.640 -0.000 0.000 0.249 166 D C -0.041 176.290 176.300 0.051 0.000 1.110 166 D CA -0.241 53.705 54.000 -0.089 0.000 0.967 166 D CB 0.381 41.047 40.800 -0.222 0.000 1.139 166 D HN 0.437 nan 8.370 nan 0.000 0.466 167 Y N -1.667 118.639 120.300 0.010 0.000 4.324 167 Y HA -0.272 4.278 4.550 -0.000 0.000 0.224 167 Y C 0.039 175.947 175.900 0.012 0.000 1.113 167 Y CA 0.107 58.213 58.100 0.010 0.000 1.887 167 Y CB -1.592 36.873 38.460 0.008 0.000 1.602 167 Y HN 0.207 nan 8.280 nan 0.000 0.654 168 L N -0.617 120.672 121.223 0.110 0.000 2.354 168 L HA 0.882 5.222 4.340 -0.000 0.000 0.269 168 L C 0.731 177.634 176.870 0.055 0.000 1.005 168 L CA -0.091 54.797 54.840 0.080 0.000 0.819 168 L CB 2.159 44.256 42.059 0.063 0.000 1.311 168 L HN 0.250 nan 8.230 nan 0.000 0.423 169 G N 0.923 109.758 108.800 0.058 0.000 2.270 169 G HA2 0.247 4.207 3.960 -0.000 0.000 0.268 169 G HA3 0.247 4.207 3.960 -0.000 0.000 0.268 169 G C -1.078 173.843 174.900 0.034 0.000 1.312 169 G CA -0.285 44.845 45.100 0.051 0.000 1.050 169 G HN 0.859 nan 8.290 nan 0.000 0.474 170 A N -0.388 122.441 122.820 0.014 0.000 2.448 170 A HA 0.691 5.011 4.320 -0.000 0.000 0.239 170 A C 0.767 178.357 177.584 0.010 0.000 1.080 170 A CA 0.901 52.935 52.037 -0.005 0.000 0.779 170 A CB -0.378 18.612 19.000 -0.016 0.000 1.026 170 A HN 1.722 nan 8.150 nan 0.000 0.499 171 I N 0.000 120.572 120.570 0.004 0.000 2.984 171 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 171 I CA 0.000 61.307 61.300 0.013 0.000 1.566 171 I CB 0.000 38.009 38.000 0.016 0.000 1.214 171 I HN 0.000 nan 8.210 nan 0.000 0.494