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 2zn9_1_B DATA FIRST_RESID 21 DATA SEQUENCE ALPDQSFLWN VFQRVDKDRS GVISDTELQQ ALSNGTWTPF NPVTVRSIIS DATA SEQUENCE MFDRENKAGV NFSEFTGVWK YITDWQNVFR TYDRDNSGMI DKNELKQALS DATA SEQUENCE GFGYRLSDQF HDILIRKFDR QGRGQIAFDD FIQGCIVLQR LTDIFRRYDT DATA SEQUENCE DQDGWIQVSY EQYLSMVFSI 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 21 A HA 0.000 nan 4.320 nan 0.000 0.244 21 A C 0.000 177.649 177.584 0.109 0.000 1.274 21 A CA 0.000 52.183 52.037 0.243 0.000 0.836 21 A CB 0.000 19.081 19.000 0.135 0.000 0.831 22 L N 1.048 122.339 121.223 0.113 0.000 2.089 22 L HA -0.035 4.307 4.340 0.004 0.000 0.213 22 L C -1.019 175.812 176.870 -0.065 0.000 1.079 22 L CA 2.232 57.087 54.840 0.024 0.000 0.758 22 L CB -2.060 40.018 42.059 0.031 0.000 0.891 22 L HN 0.434 nan 8.230 nan 0.000 0.433 23 P HA 0.140 nan 4.420 nan 0.000 0.278 23 P C -0.755 176.470 177.300 -0.125 0.000 1.238 23 P CA -0.495 62.456 63.100 -0.248 0.000 0.794 23 P CB 0.533 31.947 31.700 -0.477 0.000 0.955 24 D N 0.108 120.488 120.400 -0.034 0.000 2.377 24 D HA -0.027 4.616 4.640 0.004 0.000 0.245 24 D C 1.212 177.583 176.300 0.118 0.000 1.196 24 D CA -0.372 53.651 54.000 0.038 0.000 0.962 24 D CB 0.459 41.290 40.800 0.051 0.000 1.127 24 D HN 0.514 nan 8.370 nan 0.000 0.471 25 Q N 0.427 120.310 119.800 0.139 0.000 2.124 25 Q HA -0.239 4.104 4.340 0.004 0.000 0.202 25 Q C 1.795 177.981 176.000 0.309 0.000 0.977 25 Q CA 2.019 57.979 55.803 0.263 0.000 0.850 25 Q CB -0.306 28.561 28.738 0.215 0.000 0.901 25 Q HN 0.485 nan 8.270 nan 0.000 0.429 26 S N -0.518 115.309 115.700 0.213 0.000 2.365 26 S HA -0.231 4.241 4.470 0.004 0.000 0.225 26 S C 1.575 176.306 174.600 0.218 0.000 1.039 26 S CA 1.474 59.800 58.200 0.210 0.000 1.033 26 S CB -0.630 62.660 63.200 0.151 0.000 0.887 26 S HN 0.619 nan 8.310 nan 0.000 0.447 27 F N 1.688 121.686 119.950 0.080 0.000 2.102 27 F HA 0.077 4.606 4.527 0.004 0.000 0.298 27 F C 1.912 177.761 175.800 0.082 0.000 1.105 27 F CA 1.547 59.573 58.000 0.043 0.000 1.239 27 F CB -0.285 38.703 39.000 -0.020 0.000 0.991 27 F HN 0.188 nan 8.300 nan 0.000 0.474 28 L N -0.542 120.812 121.223 0.218 0.000 2.395 28 L HA -0.176 4.166 4.340 0.004 0.000 0.218 28 L C 2.200 179.407 176.870 0.561 0.000 1.130 28 L CA 0.656 55.656 54.840 0.266 0.000 0.826 28 L CB -0.686 41.498 42.059 0.210 0.000 0.941 28 L HN 0.571 nan 8.230 nan 0.000 0.451 29 W N 1.143 122.514 121.300 0.119 0.000 2.539 29 W HA -0.105 4.557 4.660 0.004 0.000 0.281 29 W C 1.696 178.131 176.519 -0.140 0.000 1.220 29 W CA 0.547 57.724 57.345 -0.280 0.000 1.332 29 W CB -0.112 28.941 29.460 -0.677 0.000 1.095 29 W HN 0.187 nan 8.180 nan 0.000 0.571 30 N N 0.668 119.193 118.700 -0.293 0.000 2.104 30 N HA -0.217 4.526 4.740 0.004 0.000 0.190 30 N C 1.751 177.051 175.510 -0.350 0.000 1.024 30 N CA 2.149 54.969 53.050 -0.383 0.000 0.853 30 N CB -0.367 37.961 38.487 -0.265 0.000 1.008 30 N HN -0.111 nan 8.380 nan 0.000 0.424 31 V N 0.765 120.503 119.914 -0.292 0.000 2.261 31 V HA -0.240 3.883 4.120 0.004 0.000 0.246 31 V C 1.796 177.782 176.094 -0.179 0.000 1.047 31 V CA 1.562 63.745 62.300 -0.194 0.000 1.015 31 V CB -0.677 31.101 31.823 -0.075 0.000 0.642 31 V HN 0.281 nan 8.190 nan 0.000 0.446 32 F N 0.849 120.649 119.950 -0.250 0.000 2.065 32 F HA -0.307 4.222 4.527 0.004 0.000 0.298 32 F C 2.605 178.113 175.800 -0.486 0.000 1.112 32 F CA 2.292 60.026 58.000 -0.444 0.000 1.212 32 F CB -0.287 38.678 39.000 -0.060 0.000 0.975 32 F HN 0.163 nan 8.300 nan 0.000 0.476 33 Q N -0.438 119.082 119.800 -0.467 0.000 2.170 33 Q HA -0.232 4.111 4.340 0.004 0.000 0.203 33 Q C 2.384 178.133 176.000 -0.419 0.000 0.976 33 Q CA 1.602 57.083 55.803 -0.538 0.000 0.858 33 Q CB -0.300 28.011 28.738 -0.712 0.000 0.907 33 Q HN 0.440 nan 8.270 nan 0.000 0.433 34 R N 0.116 120.393 120.500 -0.371 0.000 2.062 34 R HA -0.117 4.225 4.340 0.004 0.000 0.231 34 R C 2.054 178.182 176.300 -0.288 0.000 1.136 34 R CA 1.328 57.261 56.100 -0.278 0.000 0.948 34 R CB -0.043 30.120 30.300 -0.228 0.000 0.845 34 R HN 0.101 nan 8.270 nan 0.000 0.430 35 V N 0.873 120.566 119.914 -0.368 0.000 2.809 35 V HA -0.141 3.981 4.120 0.004 0.000 0.256 35 V C 0.557 176.396 176.094 -0.425 0.000 1.080 35 V CA 1.285 63.361 62.300 -0.373 0.000 1.102 35 V CB -0.423 31.137 31.823 -0.439 0.000 0.705 35 V HN 0.294 nan 8.190 nan 0.000 0.475 36 D N -0.005 120.067 120.400 -0.546 0.000 2.563 36 D HA 0.132 4.774 4.640 0.004 0.000 0.222 36 D C 1.244 177.373 176.300 -0.285 0.000 1.145 36 D CA 0.094 53.803 54.000 -0.485 0.000 1.001 36 D CB 0.424 40.824 40.800 -0.668 0.000 1.049 36 D HN 0.181 nan 8.370 nan 0.000 0.515 37 K N 0.668 120.940 120.400 -0.214 0.000 2.025 37 K HA -0.110 4.213 4.320 0.004 0.000 0.207 37 K C 1.268 177.800 176.600 -0.112 0.000 1.049 37 K CA 1.328 57.525 56.287 -0.150 0.000 0.933 37 K CB 0.185 32.613 32.500 -0.119 0.000 0.714 37 K HN 0.370 nan 8.250 nan 0.000 0.438 38 D N 0.463 120.806 120.400 -0.096 0.000 2.363 38 D HA -0.115 4.527 4.640 0.004 0.000 0.226 38 D C -0.252 176.016 176.300 -0.054 0.000 1.020 38 D CA 0.236 54.198 54.000 -0.064 0.000 0.892 38 D CB -0.211 40.560 40.800 -0.048 0.000 0.900 38 D HN 0.068 nan 8.370 nan 0.000 0.531 39 R N -0.408 120.047 120.500 -0.076 0.000 3.627 39 R HA -0.203 4.139 4.340 0.004 0.000 0.281 39 R C 1.057 177.360 176.300 0.004 0.000 1.140 39 R CA 0.928 56.999 56.100 -0.048 0.000 0.761 39 R CB -2.978 27.299 30.300 -0.039 0.000 1.181 39 R HN 0.456 nan 8.270 nan 0.000 0.472 40 S N -0.666 115.036 115.700 0.003 0.000 2.607 40 S HA 0.086 4.559 4.470 0.004 0.000 0.224 40 S C 1.595 176.252 174.600 0.096 0.000 0.969 40 S CA 0.895 59.118 58.200 0.038 0.000 0.927 40 S CB 0.546 63.759 63.200 0.021 0.000 0.772 40 S HN 0.895 nan 8.310 nan 0.000 0.533 41 G N -0.292 108.603 108.800 0.158 0.000 2.184 41 G HA2 -0.234 3.729 3.960 0.004 0.000 0.264 41 G HA3 -0.234 3.729 3.960 0.004 0.000 0.264 41 G C 0.035 175.171 174.900 0.392 0.000 0.975 41 G CA 0.228 45.517 45.100 0.314 0.000 0.642 41 G HN 0.916 nan 8.290 nan 0.000 0.536 42 V N 1.479 121.536 119.914 0.238 0.000 2.531 42 V HA 0.531 4.653 4.120 0.004 0.000 0.301 42 V C 0.498 176.624 176.094 0.055 0.000 1.034 42 V CA -0.889 61.542 62.300 0.218 0.000 0.865 42 V CB 1.883 33.788 31.823 0.137 0.000 0.995 42 V HN 0.293 nan 8.190 nan 0.000 0.424 43 I N 4.685 125.263 120.570 0.014 0.000 2.436 43 I HA 0.206 4.378 4.170 0.004 0.000 0.289 43 I C 1.014 177.120 176.117 -0.019 0.000 1.083 43 I CA 0.443 61.665 61.300 -0.131 0.000 1.372 43 I CB 1.161 39.016 38.000 -0.243 0.000 1.408 43 I HN 0.812 nan 8.210 nan 0.000 0.516 44 S N 3.662 119.338 115.700 -0.041 0.000 2.669 44 S HA 0.127 4.599 4.470 0.004 0.000 0.270 44 S C 1.010 175.604 174.600 -0.010 0.000 1.225 44 S CA -0.572 57.622 58.200 -0.009 0.000 0.991 44 S CB 1.315 64.505 63.200 -0.016 0.000 0.987 44 S HN 0.715 nan 8.310 nan 0.000 0.552 45 D N 0.978 121.382 120.400 0.006 0.000 2.104 45 D HA -0.163 4.480 4.640 0.004 0.000 0.194 45 D C 1.654 177.949 176.300 -0.008 0.000 0.994 45 D CA 2.026 56.030 54.000 0.006 0.000 0.830 45 D CB -1.639 39.173 40.800 0.020 0.000 0.959 45 D HN 0.539 nan 8.370 nan 0.000 0.452 46 T N 0.663 115.212 114.554 -0.008 0.000 2.653 46 T HA -0.199 4.153 4.350 0.004 0.000 0.268 46 T C 1.787 176.468 174.700 -0.032 0.000 1.035 46 T CA 2.064 64.156 62.100 -0.013 0.000 1.154 46 T CB -0.277 68.583 68.868 -0.013 0.000 0.862 46 T HN 0.376 nan 8.240 nan 0.000 0.441 47 E N -0.051 120.116 120.200 -0.055 0.000 2.107 47 E HA -0.025 4.327 4.350 0.004 0.000 0.191 47 E C 2.076 178.620 176.600 -0.094 0.000 0.982 47 E CA 0.478 56.824 56.400 -0.090 0.000 0.809 47 E CB -0.141 29.477 29.700 -0.136 0.000 0.756 47 E HN 0.202 nan 8.360 nan 0.000 0.459 48 L N 1.435 122.613 121.223 -0.075 0.000 2.027 48 L HA -0.221 4.122 4.340 0.004 0.000 0.206 48 L C 2.449 179.264 176.870 -0.092 0.000 1.074 48 L CA 1.898 56.698 54.840 -0.066 0.000 0.745 48 L CB -0.640 41.398 42.059 -0.035 0.000 0.898 48 L HN 0.092 nan 8.230 nan 0.000 0.433 49 Q N -0.776 118.981 119.800 -0.071 0.000 2.133 49 Q HA -0.315 4.028 4.340 0.004 0.000 0.208 49 Q C 2.056 178.051 176.000 -0.009 0.000 0.991 49 Q CA 2.468 58.248 55.803 -0.038 0.000 0.867 49 Q CB -0.234 28.520 28.738 0.027 0.000 0.911 49 Q HN 0.696 nan 8.270 nan 0.000 0.417 50 Q N -0.875 118.913 119.800 -0.020 0.000 2.369 50 Q HA -0.041 4.302 4.340 0.004 0.000 0.206 50 Q C 1.800 177.786 176.000 -0.024 0.000 0.963 50 Q CA 0.870 56.665 55.803 -0.014 0.000 0.894 50 Q CB 0.087 28.808 28.738 -0.030 0.000 0.965 50 Q HN 0.502 nan 8.270 nan 0.000 0.475 51 A N 0.336 123.132 122.820 -0.040 0.000 2.030 51 A HA 0.109 4.432 4.320 0.004 0.000 0.215 51 A C 0.922 178.500 177.584 -0.009 0.000 1.164 51 A CA 0.173 52.195 52.037 -0.024 0.000 0.697 51 A CB 0.145 19.136 19.000 -0.015 0.000 0.827 51 A HN 0.167 nan 8.150 nan 0.000 0.457 52 L N 0.273 121.464 121.223 -0.052 0.000 2.334 52 L HA 0.435 4.777 4.340 0.004 0.000 0.277 52 L C 0.227 177.202 176.870 0.175 0.000 1.075 52 L CA -0.387 54.414 54.840 -0.065 0.000 0.804 52 L CB 1.645 43.333 42.059 -0.619 0.000 1.174 52 L HN 0.170 nan 8.230 nan 0.000 0.438 53 S N 1.017 116.879 115.700 0.269 0.000 2.502 53 S HA 0.275 4.748 4.470 0.004 0.000 0.304 53 S C 0.352 175.157 174.600 0.342 0.000 1.097 53 S CA -0.881 57.454 58.200 0.224 0.000 1.045 53 S CB 0.960 64.179 63.200 0.031 0.000 1.019 53 S HN 0.716 nan 8.310 nan 0.000 0.481 54 N N 3.493 122.290 118.700 0.162 0.000 2.336 54 N HA 0.209 4.951 4.740 0.004 0.000 0.189 54 N C 1.276 176.762 175.510 -0.040 0.000 1.113 54 N CA 0.686 53.714 53.050 -0.035 0.000 0.858 54 N CB -0.071 38.216 38.487 -0.333 0.000 0.970 54 N HN 1.029 nan 8.380 nan 0.000 0.471 55 G N -0.275 108.496 108.800 -0.049 0.000 2.234 55 G HA2 -0.376 3.587 3.960 0.004 0.000 0.260 55 G HA3 -0.376 3.587 3.960 0.004 0.000 0.260 55 G C 0.993 175.904 174.900 0.020 0.000 0.987 55 G CA 1.079 46.148 45.100 -0.052 0.000 0.625 55 G HN 0.684 nan 8.290 nan 0.000 0.532 56 T N -5.170 109.420 114.554 0.061 0.000 3.040 56 T HA 0.303 4.655 4.350 0.004 0.000 0.250 56 T C 1.119 176.056 174.700 0.395 0.000 1.058 56 T CA 0.915 63.139 62.100 0.206 0.000 0.988 56 T CB -0.085 68.854 68.868 0.117 0.000 0.993 56 T HN 1.324 nan 8.240 nan 0.000 0.519 57 W N 1.568 122.879 121.300 0.017 0.000 2.248 57 W HA -0.219 4.443 4.660 0.004 0.000 0.283 57 W C 0.259 176.789 176.519 0.019 0.000 1.116 57 W CA 0.481 57.839 57.345 0.021 0.000 0.508 57 W CB -2.424 27.046 29.460 0.016 0.000 2.155 57 W HN 0.646 nan 8.180 nan 0.000 1.207 58 T N -2.828 111.831 114.554 0.175 0.000 2.932 58 T HA 0.783 5.135 4.350 0.004 0.000 0.289 58 T C -2.351 172.396 174.700 0.078 0.000 1.039 58 T CA -2.240 59.928 62.100 0.113 0.000 1.024 58 T CB 2.737 71.653 68.868 0.080 0.000 1.090 58 T HN -0.283 nan 8.240 nan 0.000 0.496 59 P HA 0.213 nan 4.420 nan 0.000 0.268 59 P C -0.581 176.783 177.300 0.107 0.000 1.204 59 P CA -0.464 62.691 63.100 0.093 0.000 0.768 59 P CB 0.020 31.767 31.700 0.078 0.000 0.842 60 F N 3.035 122.987 119.950 0.004 0.000 2.612 60 F HA -0.062 4.468 4.527 0.004 0.000 0.389 60 F C 1.357 177.149 175.800 -0.013 0.000 1.055 60 F CA -0.059 57.936 58.000 -0.009 0.000 1.232 60 F CB 0.077 39.072 39.000 -0.009 0.000 1.044 60 F HN 0.306 nan 8.300 nan 0.000 0.560 61 N N 8.191 126.881 118.700 -0.017 0.000 2.047 61 N HA -0.125 4.618 4.740 0.004 0.000 0.292 61 N C -1.604 174.010 175.510 0.173 0.000 1.356 61 N CA -0.657 52.415 53.050 0.037 0.000 0.836 61 N CB 0.712 39.153 38.487 -0.076 0.000 1.113 61 N HN 0.327 nan 8.380 nan 0.000 0.495 62 P HA -0.113 nan 4.420 nan 0.000 0.219 62 P C 1.418 178.768 177.300 0.082 0.000 1.150 62 P CA 0.665 63.824 63.100 0.097 0.000 0.814 62 P CB 0.308 32.046 31.700 0.063 0.000 0.787 63 V N 0.562 120.518 119.914 0.070 0.000 2.407 63 V HA -0.200 3.923 4.120 0.004 0.000 0.248 63 V C 2.565 178.699 176.094 0.067 0.000 1.055 63 V CA 2.589 64.925 62.300 0.060 0.000 1.049 63 V CB -1.924 29.934 31.823 0.058 0.000 0.662 63 V HN 0.199 nan 8.190 nan 0.000 0.455 64 T N -0.224 114.382 114.554 0.086 0.000 2.777 64 T HA -0.122 4.230 4.350 0.004 0.000 0.266 64 T C 1.959 176.725 174.700 0.110 0.000 1.040 64 T CA 1.445 63.602 62.100 0.095 0.000 1.141 64 T CB -0.190 68.759 68.868 0.136 0.000 0.868 64 T HN 0.294 nan 8.240 nan 0.000 0.444 65 V N 1.520 121.509 119.914 0.125 0.000 2.343 65 V HA -0.134 3.988 4.120 0.004 0.000 0.247 65 V C 2.795 178.916 176.094 0.045 0.000 1.051 65 V CA 1.430 63.757 62.300 0.044 0.000 1.036 65 V CB -0.505 31.338 31.823 0.033 0.000 0.654 65 V HN 0.278 nan 8.190 nan 0.000 0.451 66 R N -0.083 120.449 120.500 0.053 0.000 2.092 66 R HA -0.046 4.296 4.340 0.004 0.000 0.231 66 R C 2.604 178.934 176.300 0.049 0.000 1.119 66 R CA 1.395 57.523 56.100 0.047 0.000 0.970 66 R CB -0.881 29.444 30.300 0.040 0.000 0.864 66 R HN 0.479 nan 8.270 nan 0.000 0.440 67 S N 0.998 116.729 115.700 0.050 0.000 2.370 67 S HA -0.093 4.379 4.470 0.004 0.000 0.226 67 S C 1.980 176.611 174.600 0.051 0.000 1.033 67 S CA 1.137 59.363 58.200 0.044 0.000 1.011 67 S CB -0.123 63.103 63.200 0.043 0.000 0.852 67 S HN 0.236 nan 8.310 nan 0.000 0.457 68 I N 0.770 121.387 120.570 0.079 0.000 2.500 68 I HA -0.098 4.075 4.170 0.004 0.000 0.252 68 I C 1.862 178.083 176.117 0.174 0.000 1.142 68 I CA 0.542 61.914 61.300 0.121 0.000 1.451 68 I CB -0.206 37.870 38.000 0.127 0.000 1.093 68 I HN 0.248 nan 8.210 nan 0.000 0.430 69 I N 0.901 121.541 120.570 0.117 0.000 2.142 69 I HA -0.257 3.915 4.170 0.004 0.000 0.240 69 I C 2.748 178.941 176.117 0.128 0.000 1.078 69 I CA 2.047 63.424 61.300 0.128 0.000 1.343 69 I CB -1.176 36.875 38.000 0.085 0.000 1.046 69 I HN 0.315 nan 8.210 nan 0.000 0.405 70 S N -0.247 115.497 115.700 0.074 0.000 2.489 70 S HA -0.047 4.426 4.470 0.004 0.000 0.228 70 S C 1.939 176.531 174.600 -0.014 0.000 0.995 70 S CA 0.414 58.636 58.200 0.036 0.000 0.934 70 S CB -0.377 62.835 63.200 0.020 0.000 0.771 70 S HN 0.339 nan 8.310 nan 0.000 0.522 71 M N -0.228 119.348 119.600 -0.040 0.000 2.229 71 M HA 0.138 4.620 4.480 0.004 0.000 0.264 71 M C 0.844 176.896 176.300 -0.413 0.000 1.063 71 M CA 1.527 56.681 55.300 -0.243 0.000 1.114 71 M CB -0.204 32.189 32.600 -0.344 0.000 1.387 71 M HN 0.377 nan 8.290 nan 0.000 0.420 72 F N -1.405 118.510 119.950 -0.058 0.000 2.724 72 F HA 0.149 4.678 4.527 0.004 0.000 0.306 72 F C 0.472 176.281 175.800 0.014 0.000 1.100 72 F CA -0.630 57.355 58.000 -0.025 0.000 1.255 72 F CB 0.404 39.397 39.000 -0.011 0.000 1.072 72 F HN -0.106 nan 8.300 nan 0.000 0.589 73 D N 0.535 121.026 120.400 0.150 0.000 2.339 73 D HA 0.168 4.810 4.640 0.004 0.000 0.241 73 D C 1.198 177.527 176.300 0.048 0.000 1.183 73 D CA 0.170 54.233 54.000 0.106 0.000 0.859 73 D CB 0.760 41.616 40.800 0.093 0.000 1.067 73 D HN -0.083 nan 8.370 nan 0.000 0.484 74 R N 2.926 123.453 120.500 0.044 0.000 2.087 74 R HA 0.003 4.346 4.340 0.004 0.000 0.216 74 R C 0.786 177.098 176.300 0.019 0.000 1.114 74 R CA 0.430 56.538 56.100 0.015 0.000 1.002 74 R CB -0.401 29.905 30.300 0.010 0.000 0.903 74 R HN 0.627 nan 8.270 nan 0.000 0.445 75 E N 2.565 122.785 120.200 0.032 0.000 2.424 75 E HA 0.005 4.357 4.350 0.004 0.000 0.237 75 E C -0.456 176.163 176.600 0.032 0.000 1.381 75 E CA -0.289 56.129 56.400 0.030 0.000 1.587 75 E CB -0.815 28.906 29.700 0.034 0.000 1.398 75 E HN 0.078 nan 8.360 nan 0.000 0.439 76 N N 2.330 121.047 118.700 0.029 0.000 2.767 76 N HA -0.218 4.524 4.740 0.004 0.000 0.304 76 N C -0.525 175.005 175.510 0.033 0.000 1.141 76 N CA 1.165 54.232 53.050 0.028 0.000 0.772 76 N CB -0.031 38.467 38.487 0.019 0.000 0.993 76 N HN 0.605 nan 8.380 nan 0.000 0.579 77 K N 0.746 121.171 120.400 0.042 0.000 2.609 77 K HA 0.365 4.688 4.320 0.004 0.000 0.195 77 K C 0.326 176.954 176.600 0.047 0.000 1.144 77 K CA 0.140 56.454 56.287 0.045 0.000 1.084 77 K CB 0.372 32.905 32.500 0.055 0.000 0.877 77 K HN 0.275 nan 8.250 nan 0.000 0.540 78 A N 0.403 123.249 122.820 0.044 0.000 2.511 78 A HA 0.026 4.348 4.320 0.004 0.000 0.297 78 A C 0.584 178.199 177.584 0.052 0.000 1.476 78 A CA 0.967 53.030 52.037 0.042 0.000 0.757 78 A CB -1.894 17.125 19.000 0.031 0.000 1.072 78 A HN 0.936 nan 8.150 nan 0.000 0.413 79 G N -2.618 106.226 108.800 0.072 0.000 2.342 79 G HA2 0.733 4.695 3.960 0.004 0.000 0.297 79 G HA3 0.733 4.695 3.960 0.004 0.000 0.297 79 G C -0.719 174.262 174.900 0.135 0.000 1.313 79 G CA 0.451 45.605 45.100 0.091 0.000 0.830 79 G HN 2.011 nan 8.290 nan 0.000 0.506 80 V N -1.328 118.694 119.914 0.181 0.000 2.876 80 V HA 0.833 4.955 4.120 0.004 0.000 0.312 80 V C -0.352 175.948 176.094 0.344 0.000 1.085 80 V CA -1.051 61.399 62.300 0.251 0.000 0.945 80 V CB 1.516 33.519 31.823 0.300 0.000 1.017 80 V HN 1.231 nan 8.190 nan 0.000 0.428 81 N N 1.939 120.818 118.700 0.298 0.000 2.476 81 N HA 0.329 5.071 4.740 0.004 0.000 0.287 81 N C 0.581 176.219 175.510 0.214 0.000 1.262 81 N CA -0.715 52.505 53.050 0.285 0.000 0.980 81 N CB 0.142 38.718 38.487 0.147 0.000 1.163 81 N HN 0.641 nan 8.380 nan 0.000 0.592 82 F N 0.245 119.953 119.950 -0.403 0.000 2.095 82 F HA -0.187 4.342 4.527 0.004 0.000 0.298 82 F C 2.537 178.317 175.800 -0.034 0.000 1.104 82 F CA 2.116 59.776 58.000 -0.567 0.000 1.232 82 F CB -0.847 37.769 39.000 -0.641 0.000 0.987 82 F HN 0.552 nan 8.300 nan 0.000 0.475 83 S N -0.369 115.186 115.700 -0.241 0.000 2.368 83 S HA -0.207 4.266 4.470 0.004 0.000 0.225 83 S C 1.916 176.444 174.600 -0.120 0.000 1.030 83 S CA 1.663 59.695 58.200 -0.280 0.000 0.999 83 S CB -0.487 62.646 63.200 -0.111 0.000 0.844 83 S HN 0.631 nan 8.310 nan 0.000 0.459 84 E N -0.451 119.772 120.200 0.038 0.000 2.208 84 E HA -0.017 4.336 4.350 0.004 0.000 0.193 84 E C 1.609 178.280 176.600 0.118 0.000 0.988 84 E CA 0.834 57.324 56.400 0.150 0.000 0.828 84 E CB -0.208 29.625 29.700 0.220 0.000 0.763 84 E HN 0.681 nan 8.360 nan 0.000 0.478 85 F N 1.968 121.935 119.950 0.027 0.000 2.163 85 F HA -0.186 4.344 4.527 0.004 0.000 0.297 85 F C 2.470 178.285 175.800 0.024 0.000 1.094 85 F CA 1.840 59.896 58.000 0.093 0.000 1.290 85 F CB -0.685 38.556 39.000 0.402 0.000 1.017 85 F HN -0.028 nan 8.300 nan 0.000 0.483 86 T N -2.018 112.380 114.554 -0.261 0.000 2.737 86 T HA -0.155 4.198 4.350 0.004 0.000 0.269 86 T C 2.282 176.887 174.700 -0.158 0.000 1.040 86 T CA 1.387 63.310 62.100 -0.295 0.000 1.142 86 T CB -1.607 67.064 68.868 -0.330 0.000 0.861 86 T HN 0.338 nan 8.240 nan 0.000 0.456 87 G N 0.625 109.326 108.800 -0.165 0.000 2.403 87 G HA2 -0.038 3.924 3.960 0.004 0.000 0.216 87 G HA3 -0.038 3.924 3.960 0.004 0.000 0.216 87 G C 1.653 176.112 174.900 -0.736 0.000 1.154 87 G CA 0.656 45.658 45.100 -0.164 0.000 0.784 87 G HN 0.472 nan 8.290 nan 0.000 0.538 88 V N -0.129 119.186 119.914 -0.997 0.000 2.255 88 V HA -0.201 3.921 4.120 0.004 0.000 0.247 88 V C 2.274 178.126 176.094 -0.403 0.000 1.051 88 V CA 2.072 63.870 62.300 -0.836 0.000 1.018 88 V CB -0.622 30.961 31.823 -0.400 0.000 0.641 88 V HN 0.659 nan 8.190 nan 0.000 0.445 89 W N 1.233 122.127 121.300 -0.677 0.000 2.325 89 W HA -0.292 4.370 4.660 0.004 0.000 0.299 89 W C 2.531 178.942 176.519 -0.181 0.000 1.215 89 W CA 2.409 59.473 57.345 -0.468 0.000 1.244 89 W CB -0.046 29.044 29.460 -0.617 0.000 1.140 89 W HN 0.091 nan 8.180 nan 0.000 0.523 90 K N -0.751 119.662 120.400 0.022 0.000 2.076 90 K HA -0.219 4.103 4.320 0.004 0.000 0.204 90 K C 2.052 178.603 176.600 -0.082 0.000 1.051 90 K CA 1.805 58.073 56.287 -0.032 0.000 0.949 90 K CB -1.434 31.184 32.500 0.198 0.000 0.726 90 K HN 0.301 nan 8.250 nan 0.000 0.443 91 Y N 0.508 120.746 120.300 -0.103 0.000 2.207 91 Y HA -0.192 4.360 4.550 0.004 0.000 0.287 91 Y C 1.625 177.600 175.900 0.125 0.000 1.156 91 Y CA 1.597 59.724 58.100 0.045 0.000 1.182 91 Y CB -0.012 38.538 38.460 0.150 0.000 0.979 91 Y HN 0.037 nan 8.280 nan 0.000 0.521 92 I N -0.755 119.837 120.570 0.036 0.000 2.233 92 I HA -0.245 3.928 4.170 0.004 0.000 0.243 92 I C 2.222 178.331 176.117 -0.013 0.000 1.093 92 I CA 1.686 63.029 61.300 0.072 0.000 1.380 92 I CB -1.592 36.399 38.000 -0.014 0.000 1.067 92 I HN 0.205 nan 8.210 nan 0.000 0.413 93 T N 0.966 115.306 114.554 -0.357 0.000 2.720 93 T HA -0.186 4.166 4.350 0.004 0.000 0.268 93 T C 1.512 176.092 174.700 -0.201 0.000 1.037 93 T CA 1.662 63.500 62.100 -0.438 0.000 1.144 93 T CB -0.235 68.064 68.868 -0.948 0.000 0.864 93 T HN 0.267 nan 8.240 nan 0.000 0.444 94 D N -0.082 120.207 120.400 -0.186 0.000 2.117 94 D HA -0.066 4.576 4.640 0.004 0.000 0.197 94 D C 1.771 178.003 176.300 -0.112 0.000 0.987 94 D CA 0.852 54.746 54.000 -0.176 0.000 0.829 94 D CB -0.394 40.244 40.800 -0.270 0.000 0.961 94 D HN 0.559 nan 8.370 nan 0.000 0.460 95 W N 1.548 122.835 121.300 -0.023 0.000 2.363 95 W HA -0.132 4.531 4.660 0.004 0.000 0.296 95 W C 2.633 179.417 176.519 0.441 0.000 1.212 95 W CA 0.615 58.083 57.345 0.204 0.000 1.260 95 W CB -0.082 29.460 29.460 0.136 0.000 1.131 95 W HN 0.070 nan 8.180 nan 0.000 0.530 96 Q N -0.261 119.785 119.800 0.410 0.000 2.079 96 Q HA -0.186 4.156 4.340 0.004 0.000 0.200 96 Q C 1.951 178.023 176.000 0.120 0.000 0.974 96 Q CA 1.182 56.981 55.803 -0.006 0.000 0.840 96 Q CB -0.534 28.061 28.738 -0.238 0.000 0.898 96 Q HN 0.303 nan 8.270 nan 0.000 0.430 97 N N 0.315 119.072 118.700 0.096 0.000 2.084 97 N HA -0.133 4.609 4.740 0.004 0.000 0.190 97 N C 1.942 177.544 175.510 0.152 0.000 1.030 97 N CA 1.109 54.202 53.050 0.072 0.000 0.849 97 N CB -0.318 38.177 38.487 0.012 0.000 1.012 97 N HN 0.045 nan 8.380 nan 0.000 0.423 98 V N 1.152 121.228 119.914 0.271 0.000 2.332 98 V HA -0.227 3.895 4.120 0.004 0.000 0.248 98 V C 2.056 178.473 176.094 0.539 0.000 1.055 98 V CA 1.379 63.949 62.300 0.451 0.000 1.038 98 V CB -0.663 31.501 31.823 0.569 0.000 0.651 98 V HN 0.156 nan 8.190 nan 0.000 0.450 99 F N 1.224 121.417 119.950 0.406 0.000 2.069 99 F HA -0.195 4.335 4.527 0.004 0.000 0.298 99 F C 2.623 178.435 175.800 0.020 0.000 1.113 99 F CA 1.870 59.976 58.000 0.178 0.000 1.214 99 F CB -0.247 38.886 39.000 0.222 0.000 0.978 99 F HN -0.015 nan 8.300 nan 0.000 0.474 100 R N -0.851 119.733 120.500 0.140 0.000 2.148 100 R HA -0.103 4.239 4.340 0.004 0.000 0.227 100 R C 2.043 178.274 176.300 -0.116 0.000 1.103 100 R CA 1.631 57.722 56.100 -0.015 0.000 0.983 100 R CB -0.867 29.442 30.300 0.016 0.000 0.874 100 R HN 0.276 nan 8.270 nan 0.000 0.451 101 T N 0.212 114.683 114.554 -0.137 0.000 2.708 101 T HA -0.141 4.212 4.350 0.004 0.000 0.266 101 T C 1.239 175.656 174.700 -0.472 0.000 1.037 101 T CA 1.384 63.282 62.100 -0.337 0.000 1.146 101 T CB -0.227 68.363 68.868 -0.463 0.000 0.865 101 T HN 0.314 nan 8.240 nan 0.000 0.435 102 Y N 0.640 120.862 120.300 -0.130 0.000 2.511 102 Y HA 0.202 4.754 4.550 0.004 0.000 0.279 102 Y C 1.102 176.813 175.900 -0.315 0.000 1.157 102 Y CA -0.430 57.548 58.100 -0.202 0.000 1.300 102 Y CB 0.079 38.427 38.460 -0.187 0.000 1.052 102 Y HN 0.072 nan 8.280 nan 0.000 0.529 103 D N 0.494 120.711 120.400 -0.305 0.000 2.688 103 D HA 0.044 4.686 4.640 0.004 0.000 0.228 103 D C 1.371 177.562 176.300 -0.181 0.000 1.116 103 D CA 0.089 53.889 54.000 -0.333 0.000 1.023 103 D CB 0.109 40.644 40.800 -0.442 0.000 1.100 103 D HN -0.054 nan 8.370 nan 0.000 0.487 104 R N 0.673 121.092 120.500 -0.134 0.000 2.096 104 R HA -0.086 4.256 4.340 0.004 0.000 0.235 104 R C 1.257 177.513 176.300 -0.074 0.000 1.127 104 R CA 1.492 57.535 56.100 -0.095 0.000 0.968 104 R CB -0.137 30.121 30.300 -0.070 0.000 0.861 104 R HN 0.410 nan 8.270 nan 0.000 0.440 105 D N -0.678 119.680 120.400 -0.070 0.000 2.336 105 D HA -0.048 4.595 4.640 0.004 0.000 0.229 105 D C -0.419 175.855 176.300 -0.043 0.000 1.061 105 D CA 0.016 53.986 54.000 -0.050 0.000 0.875 105 D CB -0.272 40.503 40.800 -0.042 0.000 0.904 105 D HN 0.058 nan 8.370 nan 0.000 0.525 106 N N -0.328 118.339 118.700 -0.055 0.000 2.747 106 N HA -0.194 4.548 4.740 0.004 0.000 0.249 106 N C 0.675 176.177 175.510 -0.013 0.000 1.107 106 N CA 1.051 54.080 53.050 -0.036 0.000 0.707 106 N CB -2.033 36.440 38.487 -0.024 0.000 1.054 106 N HN 0.508 nan 8.380 nan 0.000 0.555 107 S N -1.707 113.982 115.700 -0.018 0.000 2.524 107 S HA 0.324 4.796 4.470 0.004 0.000 0.216 107 S C 1.557 176.188 174.600 0.051 0.000 0.987 107 S CA 1.078 59.285 58.200 0.011 0.000 0.909 107 S CB 0.551 63.751 63.200 -0.001 0.000 0.781 107 S HN 1.093 nan 8.310 nan 0.000 0.521 108 G N 1.111 109.955 108.800 0.073 0.000 2.148 108 G HA2 -0.192 3.770 3.960 0.004 0.000 0.254 108 G HA3 -0.192 3.770 3.960 0.004 0.000 0.254 108 G C -0.074 175.011 174.900 0.307 0.000 0.981 108 G CA 0.665 45.888 45.100 0.206 0.000 0.670 108 G HN 0.472 nan 8.290 nan 0.000 0.528 109 M N -0.239 119.454 119.600 0.154 0.000 2.433 109 M HA 0.511 4.994 4.480 0.004 0.000 0.290 109 M C -0.250 176.014 176.300 -0.061 0.000 1.173 109 M CA -1.035 54.362 55.300 0.162 0.000 0.905 109 M CB 1.990 34.649 32.600 0.098 0.000 1.692 109 M HN 0.032 nan 8.290 nan 0.000 0.462 110 I N 3.306 123.809 120.570 -0.112 0.000 2.325 110 I HA 0.111 4.284 4.170 0.004 0.000 0.291 110 I C 0.133 176.200 176.117 -0.083 0.000 1.019 110 I CA -0.256 60.900 61.300 -0.239 0.000 1.302 110 I CB 0.987 38.691 38.000 -0.494 0.000 1.401 110 I HN 0.656 nan 8.210 nan 0.000 0.485 111 D N 5.856 126.205 120.400 -0.085 0.000 2.506 111 D HA 0.116 4.758 4.640 0.004 0.000 0.272 111 D C 0.940 177.212 176.300 -0.046 0.000 1.214 111 D CA -0.605 53.368 54.000 -0.045 0.000 1.067 111 D CB 0.686 41.461 40.800 -0.042 0.000 1.117 111 D HN 0.324 nan 8.370 nan 0.000 0.578 112 K N -0.630 119.749 120.400 -0.036 0.000 2.044 112 K HA -0.213 4.110 4.320 0.004 0.000 0.210 112 K C 1.495 178.028 176.600 -0.111 0.000 1.049 112 K CA 1.390 57.649 56.287 -0.047 0.000 0.927 112 K CB -0.152 32.330 32.500 -0.029 0.000 0.713 112 K HN 0.294 nan 8.250 nan 0.000 0.443 113 N N 1.035 119.676 118.700 -0.099 0.000 2.166 113 N HA -0.139 4.603 4.740 0.004 0.000 0.186 113 N C 1.515 176.953 175.510 -0.120 0.000 1.019 113 N CA 1.273 54.253 53.050 -0.115 0.000 0.856 113 N CB -0.116 38.325 38.487 -0.076 0.000 0.993 113 N HN 0.358 nan 8.380 nan 0.000 0.426 114 E N 0.293 120.432 120.200 -0.102 0.000 2.077 114 E HA -0.150 4.203 4.350 0.004 0.000 0.193 114 E C 1.826 178.346 176.600 -0.133 0.000 0.989 114 E CA 0.558 56.898 56.400 -0.100 0.000 0.800 114 E CB -0.109 29.513 29.700 -0.131 0.000 0.746 114 E HN 0.125 nan 8.360 nan 0.000 0.452 115 L N 1.596 122.749 121.223 -0.117 0.000 2.083 115 L HA -0.174 4.168 4.340 0.004 0.000 0.209 115 L C 1.851 178.618 176.870 -0.171 0.000 1.083 115 L CA 1.775 56.578 54.840 -0.061 0.000 0.752 115 L CB -0.098 41.995 42.059 0.057 0.000 0.899 115 L HN -0.084 nan 8.230 nan 0.000 0.433 116 K N -1.111 119.080 120.400 -0.349 0.000 2.057 116 K HA -0.181 4.141 4.320 0.004 0.000 0.207 116 K C 2.094 178.538 176.600 -0.259 0.000 1.049 116 K CA 1.403 57.390 56.287 -0.499 0.000 0.931 116 K CB -0.162 32.020 32.500 -0.529 0.000 0.714 116 K HN 0.375 nan 8.250 nan 0.000 0.440 117 Q N 0.155 119.824 119.800 -0.218 0.000 2.079 117 Q HA -0.090 4.252 4.340 0.004 0.000 0.200 117 Q C 2.229 177.905 176.000 -0.539 0.000 0.974 117 Q CA 1.582 57.279 55.803 -0.177 0.000 0.840 117 Q CB -0.415 28.335 28.738 0.021 0.000 0.898 117 Q HN 0.317 nan 8.270 nan 0.000 0.430 118 A N 1.132 123.433 122.820 -0.865 0.000 1.858 118 A HA -0.142 4.180 4.320 0.004 0.000 0.216 118 A C 2.278 179.014 177.584 -1.413 0.000 1.190 118 A CA 1.270 52.301 52.037 -1.678 0.000 0.617 118 A CB -0.811 17.689 19.000 -0.833 0.000 0.827 118 A HN 0.308 nan 8.150 nan 0.000 0.443 119 L N -0.709 120.095 121.223 -0.698 0.000 2.093 119 L HA -0.135 4.208 4.340 0.004 0.000 0.208 119 L C 2.922 179.771 176.870 -0.035 0.000 1.085 119 L CA 1.472 56.114 54.840 -0.329 0.000 0.755 119 L CB -0.567 41.451 42.059 -0.068 0.000 0.904 119 L HN 0.538 nan 8.230 nan 0.000 0.435 120 S N 0.370 116.024 115.700 -0.076 0.000 2.370 120 S HA -0.157 4.315 4.470 0.004 0.000 0.226 120 S C 1.992 176.596 174.600 0.005 0.000 1.033 120 S CA 1.530 59.737 58.200 0.011 0.000 1.011 120 S CB -0.427 62.767 63.200 -0.011 0.000 0.852 120 S HN 0.522 nan 8.310 nan 0.000 0.457 121 G N -0.317 108.410 108.800 -0.121 0.000 2.470 121 G HA2 -0.065 3.898 3.960 0.004 0.000 0.220 121 G HA3 -0.065 3.898 3.960 0.004 0.000 0.220 121 G C 1.101 176.137 174.900 0.227 0.000 1.121 121 G CA 0.353 45.473 45.100 0.033 0.000 0.766 121 G HN 0.649 nan 8.290 nan 0.000 0.553 122 F N 0.372 120.383 119.950 0.102 0.000 2.811 122 F HA 0.228 4.757 4.527 0.004 0.000 0.301 122 F C 2.110 177.933 175.800 0.039 0.000 1.151 122 F CA 0.012 58.091 58.000 0.132 0.000 1.412 122 F CB 0.459 39.631 39.000 0.287 0.000 1.113 122 F HN 0.308 nan 8.300 nan 0.000 0.579 123 G N -0.317 108.599 108.800 0.193 0.000 2.175 123 G HA2 -0.302 3.661 3.960 0.004 0.000 0.244 123 G HA3 -0.302 3.661 3.960 0.004 0.000 0.244 123 G C -0.127 174.747 174.900 -0.043 0.000 0.982 123 G CA -0.633 44.488 45.100 0.034 0.000 0.641 123 G HN 0.311 nan 8.290 nan 0.000 0.527 124 Y N -0.063 120.275 120.300 0.065 0.000 2.359 124 Y HA 0.597 5.149 4.550 0.004 0.000 0.330 124 Y C 1.180 177.081 175.900 0.002 0.000 1.143 124 Y CA -0.033 58.080 58.100 0.022 0.000 1.318 124 Y CB 0.826 39.308 38.460 0.036 0.000 1.234 124 Y HN 0.077 nan 8.280 nan 0.000 0.522 125 R N 3.591 124.157 120.500 0.110 0.000 2.402 125 R HA 0.500 4.843 4.340 0.004 0.000 0.290 125 R C -1.932 174.372 176.300 0.007 0.000 1.321 125 R CA -0.090 56.041 56.100 0.052 0.000 1.283 125 R CB 0.029 30.334 30.300 0.008 0.000 1.111 125 R HN 0.627 nan 8.270 nan 0.000 0.578 126 L N 1.235 122.483 121.223 0.043 0.000 2.381 126 L HA 0.554 4.897 4.340 0.004 0.000 0.268 126 L C 0.265 177.181 176.870 0.076 0.000 0.997 126 L CA -0.994 53.816 54.840 -0.051 0.000 0.818 126 L CB 2.206 44.161 42.059 -0.174 0.000 1.310 126 L HN 0.521 nan 8.230 nan 0.000 0.416 127 S N -0.522 115.197 115.700 0.031 0.000 2.589 127 S HA -0.017 4.456 4.470 0.004 0.000 0.265 127 S C 0.778 175.517 174.600 0.232 0.000 1.342 127 S CA -0.235 58.027 58.200 0.104 0.000 1.005 127 S CB 0.970 64.205 63.200 0.059 0.000 0.909 127 S HN 0.841 nan 8.310 nan 0.000 0.555 128 D N 0.652 121.173 120.400 0.201 0.000 2.092 128 D HA -0.195 4.448 4.640 0.004 0.000 0.193 128 D C 1.865 178.304 176.300 0.232 0.000 0.994 128 D CA 1.672 55.810 54.000 0.230 0.000 0.828 128 D CB -0.177 40.686 40.800 0.105 0.000 0.963 128 D HN 0.718 nan 8.370 nan 0.000 0.450 129 Q N -0.184 119.703 119.800 0.146 0.000 2.135 129 Q HA -0.194 4.148 4.340 0.004 0.000 0.204 129 Q C 2.276 178.332 176.000 0.093 0.000 0.981 129 Q CA 0.847 56.710 55.803 0.100 0.000 0.856 129 Q CB -0.887 27.897 28.738 0.077 0.000 0.902 129 Q HN 0.434 nan 8.270 nan 0.000 0.425 130 F N 1.771 121.702 119.950 -0.031 0.000 2.202 130 F HA -0.205 4.324 4.527 0.004 0.000 0.301 130 F C 1.823 177.539 175.800 -0.140 0.000 1.082 130 F CA 1.615 59.544 58.000 -0.118 0.000 1.313 130 F CB -0.237 38.636 39.000 -0.212 0.000 1.024 130 F HN 0.135 nan 8.300 nan 0.000 0.495 131 H N -0.416 118.611 119.070 -0.071 0.000 2.489 131 H HA -0.140 4.419 4.556 0.004 0.000 0.293 131 H C 1.907 177.125 175.328 -0.184 0.000 1.066 131 H CA 1.590 57.551 56.048 -0.144 0.000 1.305 131 H CB -0.295 29.455 29.762 -0.020 0.000 1.386 131 H HN 0.324 nan 8.280 nan 0.000 0.551 132 D N 0.243 120.609 120.400 -0.058 0.000 2.123 132 D HA -0.094 4.548 4.640 0.004 0.000 0.200 132 D C 2.169 178.379 176.300 -0.151 0.000 0.976 132 D CA 0.821 54.778 54.000 -0.072 0.000 0.831 132 D CB -0.035 40.744 40.800 -0.034 0.000 0.974 132 D HN 0.372 nan 8.370 nan 0.000 0.469 133 I N 1.109 121.527 120.570 -0.254 0.000 2.194 133 I HA -0.272 3.900 4.170 0.004 0.000 0.246 133 I C 2.616 178.531 176.117 -0.337 0.000 1.093 133 I CA 0.762 61.881 61.300 -0.302 0.000 1.355 133 I CB -0.231 37.548 38.000 -0.367 0.000 1.046 133 I HN -0.010 nan 8.210 nan 0.000 0.413 134 L N 0.378 121.310 121.223 -0.485 0.000 1.970 134 L HA -0.260 4.083 4.340 0.004 0.000 0.212 134 L C 2.570 179.441 176.870 0.002 0.000 1.071 134 L CA 1.807 56.502 54.840 -0.241 0.000 0.751 134 L CB -0.336 41.543 42.059 -0.300 0.000 0.889 134 L HN 0.191 nan 8.230 nan 0.000 0.432 135 I N -0.973 119.583 120.570 -0.024 0.000 2.179 135 I HA -0.339 3.833 4.170 0.004 0.000 0.242 135 I C 2.759 178.873 176.117 -0.004 0.000 1.088 135 I CA 1.208 62.524 61.300 0.027 0.000 1.357 135 I CB -0.396 37.613 38.000 0.016 0.000 1.051 135 I HN 0.202 nan 8.210 nan 0.000 0.409 136 R N 1.199 121.666 120.500 -0.055 0.000 2.115 136 R HA -0.293 4.050 4.340 0.004 0.000 0.239 136 R C 2.376 178.604 176.300 -0.121 0.000 1.133 136 R CA 2.408 58.462 56.100 -0.076 0.000 0.935 136 R CB -0.242 30.005 30.300 -0.090 0.000 0.853 136 R HN 0.187 nan 8.270 nan 0.000 0.433 137 K N -0.822 119.459 120.400 -0.198 0.000 2.097 137 K HA -0.128 4.194 4.320 0.004 0.000 0.206 137 K C 1.403 177.670 176.600 -0.556 0.000 1.049 137 K CA 1.722 57.763 56.287 -0.411 0.000 0.933 137 K CB 0.005 32.166 32.500 -0.565 0.000 0.717 137 K HN 0.183 nan 8.250 nan 0.000 0.442 138 F N -0.135 119.779 119.950 -0.060 0.000 2.717 138 F HA 0.173 4.703 4.527 0.004 0.000 0.297 138 F C 0.192 175.971 175.800 -0.035 0.000 1.113 138 F CA -0.695 57.276 58.000 -0.049 0.000 1.319 138 F CB 0.290 39.257 39.000 -0.054 0.000 1.097 138 F HN -0.046 nan 8.300 nan 0.000 0.595 139 D N 1.096 121.562 120.400 0.108 0.000 2.346 139 D HA 0.056 4.699 4.640 0.004 0.000 0.260 139 D C 1.236 177.551 176.300 0.025 0.000 1.252 139 D CA 0.322 54.361 54.000 0.066 0.000 0.895 139 D CB 0.661 41.490 40.800 0.049 0.000 1.097 139 D HN 0.122 nan 8.370 nan 0.000 0.489 140 R N 2.587 123.101 120.500 0.022 0.000 2.200 140 R HA -0.047 4.295 4.340 0.004 0.000 0.208 140 R C 1.344 177.647 176.300 0.005 0.000 1.033 140 R CA 0.664 56.767 56.100 0.005 0.000 1.000 140 R CB 0.232 30.531 30.300 -0.002 0.000 0.906 140 R HN 0.475 nan 8.270 nan 0.000 0.462 141 Q N -0.691 119.118 119.800 0.014 0.000 2.389 141 Q HA 0.092 4.434 4.340 0.004 0.000 0.204 141 Q C 1.050 177.056 176.000 0.010 0.000 0.944 141 Q CA 0.910 56.722 55.803 0.016 0.000 0.908 141 Q CB 0.515 29.268 28.738 0.026 0.000 1.002 141 Q HN 0.498 nan 8.270 nan 0.000 0.493 142 G N 0.241 109.045 108.800 0.007 0.000 2.155 142 G HA2 -0.330 3.632 3.960 0.004 0.000 0.257 142 G HA3 -0.330 3.632 3.960 0.004 0.000 0.257 142 G C 0.885 175.787 174.900 0.003 0.000 0.983 142 G CA 0.575 45.675 45.100 -0.000 0.000 0.676 142 G HN 0.192 nan 8.290 nan 0.000 0.528 143 R N 0.026 120.532 120.500 0.010 0.000 2.300 143 R HA 0.285 4.628 4.340 0.004 0.000 0.199 143 R C 2.014 178.320 176.300 0.010 0.000 0.920 143 R CA 1.061 57.167 56.100 0.010 0.000 1.046 143 R CB -0.109 30.200 30.300 0.016 0.000 0.984 143 R HN 1.415 nan 8.270 nan 0.000 0.493 144 G N 1.342 110.150 108.800 0.013 0.000 2.136 144 G HA2 -0.220 3.743 3.960 0.004 0.000 0.242 144 G HA3 -0.220 3.743 3.960 0.004 0.000 0.242 144 G C -0.114 174.797 174.900 0.018 0.000 0.989 144 G CA -0.090 45.017 45.100 0.012 0.000 0.682 144 G HN 0.247 nan 8.290 nan 0.000 0.522 145 Q N -0.151 119.667 119.800 0.029 0.000 2.310 145 Q HA 0.545 4.887 4.340 0.004 0.000 0.270 145 Q C 0.003 176.044 176.000 0.067 0.000 1.025 145 Q CA -0.551 55.274 55.803 0.037 0.000 0.772 145 Q CB 2.012 30.770 28.738 0.033 0.000 1.253 145 Q HN 0.481 nan 8.270 nan 0.000 0.450 146 I N 1.594 122.219 120.570 0.092 0.000 2.342 146 I HA 0.423 4.595 4.170 0.004 0.000 0.291 146 I C 0.549 176.799 176.117 0.221 0.000 1.010 146 I CA -0.610 60.778 61.300 0.147 0.000 1.308 146 I CB 1.312 39.431 38.000 0.197 0.000 1.400 146 I HN 0.524 nan 8.210 nan 0.000 0.488 147 A N 5.195 128.110 122.820 0.160 0.000 2.313 147 A HA 0.221 4.544 4.320 0.004 0.000 0.261 147 A C 0.762 178.376 177.584 0.050 0.000 1.090 147 A CA -0.268 51.845 52.037 0.127 0.000 0.807 147 A CB 0.149 19.153 19.000 0.006 0.000 1.055 147 A HN 0.756 nan 8.150 nan 0.000 0.492 148 F N 1.354 121.034 119.950 -0.450 0.000 2.087 148 F HA -0.286 4.243 4.527 0.004 0.000 0.299 148 F C 2.040 177.609 175.800 -0.384 0.000 1.100 148 F CA 2.882 60.414 58.000 -0.779 0.000 1.226 148 F CB -0.266 38.170 39.000 -0.940 0.000 0.983 148 F HN 0.718 nan 8.300 nan 0.000 0.479 149 D N -0.905 119.035 120.400 -0.766 0.000 2.144 149 D HA -0.189 4.453 4.640 0.004 0.000 0.200 149 D C 1.535 177.542 176.300 -0.489 0.000 0.978 149 D CA 1.555 54.967 54.000 -0.981 0.000 0.833 149 D CB -1.102 38.731 40.800 -1.612 0.000 0.961 149 D HN 0.305 nan 8.370 nan 0.000 0.470 150 D N -0.729 119.510 120.400 -0.270 0.000 2.277 150 D HA -0.043 4.599 4.640 0.004 0.000 0.208 150 D C 1.544 177.799 176.300 -0.074 0.000 0.962 150 D CA 0.218 54.158 54.000 -0.098 0.000 0.865 150 D CB -0.376 40.434 40.800 0.015 0.000 0.939 150 D HN 0.238 nan 8.370 nan 0.000 0.510 151 F N 1.376 121.204 119.950 -0.204 0.000 2.187 151 F HA 0.008 4.537 4.527 0.004 0.000 0.295 151 F C 2.039 177.597 175.800 -0.404 0.000 1.091 151 F CA 0.782 58.696 58.000 -0.143 0.000 1.308 151 F CB -0.179 38.922 39.000 0.167 0.000 1.030 151 F HN -0.192 nan 8.300 nan 0.000 0.487 152 I N 0.176 120.323 120.570 -0.704 0.000 2.163 152 I HA -0.327 3.845 4.170 0.004 0.000 0.243 152 I C 2.461 178.133 176.117 -0.741 0.000 1.085 152 I CA 1.630 62.228 61.300 -1.171 0.000 1.347 152 I CB -0.686 36.625 38.000 -1.149 0.000 1.044 152 I HN 0.229 nan 8.210 nan 0.000 0.408 153 Q N 1.428 120.929 119.800 -0.499 0.000 2.002 153 Q HA -0.157 4.185 4.340 0.004 0.000 0.204 153 Q C 2.173 177.764 176.000 -0.682 0.000 0.988 153 Q CA 2.396 57.969 55.803 -0.383 0.000 0.843 153 Q CB -1.021 27.610 28.738 -0.179 0.000 0.908 153 Q HN 0.480 nan 8.270 nan 0.000 0.420 154 G N -0.446 107.763 108.800 -0.986 0.000 2.476 154 G HA2 -0.315 3.647 3.960 0.004 0.000 0.218 154 G HA3 -0.315 3.647 3.960 0.004 0.000 0.218 154 G C 1.663 176.075 174.900 -0.814 0.000 1.164 154 G CA 1.214 45.399 45.100 -1.525 0.000 0.768 154 G HN 0.512 nan 8.290 nan 0.000 0.560 155 C N 0.545 119.492 119.300 -0.589 0.000 2.453 155 C HA 0.026 4.489 4.460 0.004 0.000 0.277 155 C C 2.799 177.690 174.990 -0.164 0.000 1.262 155 C CA 0.275 59.097 59.018 -0.325 0.000 1.718 155 C CB -0.834 26.724 27.740 -0.302 0.000 2.031 155 C HN 0.405 nan 8.230 nan 0.000 0.480 156 I N 1.174 121.625 120.570 -0.198 0.000 2.151 156 I HA -0.160 4.012 4.170 0.004 0.000 0.243 156 I C 2.473 178.564 176.117 -0.043 0.000 1.080 156 I CA 1.714 62.985 61.300 -0.048 0.000 1.339 156 I CB -1.746 36.226 38.000 -0.047 0.000 1.039 156 I HN 0.163 nan 8.210 nan 0.000 0.409 157 V N 0.593 120.431 119.914 -0.126 0.000 2.427 157 V HA -0.213 3.910 4.120 0.004 0.000 0.248 157 V C 2.639 178.742 176.094 0.015 0.000 1.051 157 V CA 1.128 63.412 62.300 -0.027 0.000 1.048 157 V CB -0.465 31.382 31.823 0.039 0.000 0.666 157 V HN 0.317 nan 8.190 nan 0.000 0.456 158 L N 0.476 121.672 121.223 -0.045 0.000 1.990 158 L HA -0.286 4.056 4.340 0.004 0.000 0.213 158 L C 2.939 179.887 176.870 0.130 0.000 1.072 158 L CA 2.447 57.304 54.840 0.028 0.000 0.755 158 L CB -0.646 41.363 42.059 -0.084 0.000 0.889 158 L HN 0.559 nan 8.230 nan 0.000 0.432 159 Q N -0.266 119.615 119.800 0.135 0.000 2.167 159 Q HA -0.263 4.079 4.340 0.004 0.000 0.202 159 Q C 2.202 178.267 176.000 0.108 0.000 0.970 159 Q CA 1.327 57.223 55.803 0.156 0.000 0.855 159 Q CB -0.330 28.490 28.738 0.137 0.000 0.911 159 Q HN 0.369 nan 8.270 nan 0.000 0.438 160 R N 0.659 121.210 120.500 0.086 0.000 2.073 160 R HA -0.015 4.327 4.340 0.004 0.000 0.234 160 R C 2.341 178.696 176.300 0.093 0.000 1.134 160 R CA 1.583 57.729 56.100 0.077 0.000 0.952 160 R CB -0.138 30.201 30.300 0.065 0.000 0.850 160 R HN 0.329 nan 8.270 nan 0.000 0.433 161 L N -0.805 120.479 121.223 0.101 0.000 2.313 161 L HA -0.048 4.294 4.340 0.004 0.000 0.214 161 L C 1.976 178.931 176.870 0.140 0.000 1.119 161 L CA 0.963 55.869 54.840 0.111 0.000 0.809 161 L CB -0.319 41.800 42.059 0.098 0.000 0.933 161 L HN 0.256 nan 8.230 nan 0.000 0.449 162 T N -1.003 113.633 114.554 0.137 0.000 2.857 162 T HA -0.174 4.179 4.350 0.004 0.000 0.266 162 T C 1.477 176.277 174.700 0.167 0.000 1.048 162 T CA 1.518 63.706 62.100 0.148 0.000 1.139 162 T CB -0.135 68.809 68.868 0.126 0.000 0.874 162 T HN 0.335 nan 8.240 nan 0.000 0.455 163 D N 1.185 121.661 120.400 0.127 0.000 2.078 163 D HA -0.069 4.573 4.640 0.004 0.000 0.193 163 D C 2.009 178.390 176.300 0.134 0.000 0.990 163 D CA 1.026 55.090 54.000 0.107 0.000 0.827 163 D CB -0.471 40.375 40.800 0.077 0.000 0.975 163 D HN 0.313 nan 8.370 nan 0.000 0.451 164 I N -0.389 120.267 120.570 0.144 0.000 2.113 164 I HA -0.290 3.882 4.170 0.004 0.000 0.242 164 I C 2.221 178.468 176.117 0.217 0.000 1.064 164 I CA 1.279 62.682 61.300 0.172 0.000 1.320 164 I CB -0.362 37.716 38.000 0.129 0.000 1.028 164 I HN 0.063 nan 8.210 nan 0.000 0.406 165 F N 1.330 121.317 119.950 0.063 0.000 2.126 165 F HA -0.229 4.301 4.527 0.004 0.000 0.299 165 F C 2.613 178.475 175.800 0.104 0.000 1.096 165 F CA 1.635 59.663 58.000 0.048 0.000 1.255 165 F CB -0.187 38.810 39.000 -0.004 0.000 0.997 165 F HN -0.127 nan 8.300 nan 0.000 0.479 166 R N -0.425 120.205 120.500 0.215 0.000 2.148 166 R HA -0.097 4.246 4.340 0.004 0.000 0.227 166 R C 2.378 178.709 176.300 0.052 0.000 1.103 166 R CA 0.548 56.719 56.100 0.120 0.000 0.983 166 R CB -0.324 30.044 30.300 0.115 0.000 0.874 166 R HN 0.134 nan 8.270 nan 0.000 0.451 167 R N -0.122 120.426 120.500 0.081 0.000 2.105 167 R HA -0.162 4.180 4.340 0.004 0.000 0.239 167 R C 1.169 177.434 176.300 -0.059 0.000 1.135 167 R CA 1.730 57.844 56.100 0.024 0.000 0.967 167 R CB -0.070 30.272 30.300 0.070 0.000 0.861 167 R HN 0.350 nan 8.270 nan 0.000 0.442 168 Y N -0.902 119.299 120.300 -0.165 0.000 2.441 168 Y HA 0.042 4.594 4.550 0.003 0.000 0.288 168 Y C 0.741 176.502 175.900 -0.231 0.000 1.118 168 Y CA -0.116 57.862 58.100 -0.203 0.000 1.215 168 Y CB 0.280 38.573 38.460 -0.277 0.000 1.118 168 Y HN -0.080 nan 8.280 nan 0.000 0.547 169 D N 0.713 121.020 120.400 -0.154 0.000 2.545 169 D HA -0.010 4.633 4.640 0.004 0.000 0.227 169 D C 1.184 177.469 176.300 -0.023 0.000 1.150 169 D CA 0.357 54.280 54.000 -0.128 0.000 1.046 169 D CB 0.311 41.025 40.800 -0.143 0.000 1.098 169 D HN 0.365 nan 8.370 nan 0.000 0.502 170 T N -0.517 114.025 114.554 -0.019 0.000 2.788 170 T HA -0.247 4.106 4.350 0.004 0.000 0.268 170 T C 1.118 175.824 174.700 0.011 0.000 1.044 170 T CA 1.183 63.276 62.100 -0.011 0.000 1.139 170 T CB -0.076 68.779 68.868 -0.021 0.000 0.867 170 T HN 0.329 nan 8.240 nan 0.000 0.454 171 D N 0.689 121.107 120.400 0.029 0.000 2.342 171 D HA 0.021 4.663 4.640 0.004 0.000 0.221 171 D C 0.418 176.755 176.300 0.062 0.000 1.101 171 D CA -0.202 53.824 54.000 0.042 0.000 0.837 171 D CB -0.515 40.312 40.800 0.044 0.000 0.938 171 D HN 0.240 nan 8.370 nan 0.000 0.508 172 Q N 0.885 120.726 119.800 0.068 0.000 2.411 172 Q HA -0.203 4.140 4.340 0.004 0.000 0.305 172 Q C 0.284 176.356 176.000 0.121 0.000 1.273 172 Q CA 1.324 57.183 55.803 0.094 0.000 0.895 172 Q CB -1.951 26.827 28.738 0.066 0.000 1.198 172 Q HN 0.779 nan 8.270 nan 0.000 0.470 173 D N -1.447 119.049 120.400 0.161 0.000 2.339 173 D HA 0.105 4.748 4.640 0.004 0.000 0.217 173 D C 1.306 177.751 176.300 0.241 0.000 1.050 173 D CA 0.836 54.958 54.000 0.203 0.000 0.856 173 D CB 0.132 41.068 40.800 0.227 0.000 0.922 173 D HN 0.460 nan 8.370 nan 0.000 0.518 174 G N -0.030 108.908 108.800 0.230 0.000 2.176 174 G HA2 -0.253 3.710 3.960 0.004 0.000 0.253 174 G HA3 -0.253 3.710 3.960 0.004 0.000 0.253 174 G C -0.499 174.385 174.900 -0.026 0.000 0.979 174 G CA 0.131 45.283 45.100 0.085 0.000 0.641 174 G HN 0.284 nan 8.290 nan 0.000 0.530 175 W N 0.490 121.952 121.300 0.270 0.000 2.739 175 W HA 0.730 5.392 4.660 0.004 0.000 0.331 175 W C 0.348 176.960 176.519 0.155 0.000 1.049 175 W CA -1.112 56.367 57.345 0.223 0.000 1.234 175 W CB 1.126 30.651 29.460 0.108 0.000 1.404 175 W HN 0.346 nan 8.180 nan 0.000 0.477 176 I N -0.008 120.773 120.570 0.352 0.000 2.892 176 I HA 0.646 4.819 4.170 0.004 0.000 0.306 176 I C -0.852 175.358 176.117 0.155 0.000 1.078 176 I CA -1.501 59.876 61.300 0.129 0.000 1.032 176 I CB 2.178 40.095 38.000 -0.139 0.000 1.229 176 I HN 0.325 nan 8.210 nan 0.000 0.435 177 Q N 3.646 123.508 119.800 0.104 0.000 2.347 177 Q HA 0.632 4.974 4.340 0.004 0.000 0.262 177 Q C -1.355 174.696 176.000 0.085 0.000 0.980 177 Q CA -0.619 55.238 55.803 0.091 0.000 0.867 177 Q CB 1.626 30.406 28.738 0.070 0.000 1.242 177 Q HN 0.700 nan 8.270 nan 0.000 0.453 178 V N 1.695 121.656 119.914 0.077 0.000 2.656 178 V HA 0.774 4.896 4.120 0.004 0.000 0.307 178 V C -0.006 176.141 176.094 0.088 0.000 1.051 178 V CA -0.651 61.698 62.300 0.083 0.000 0.893 178 V CB 1.356 33.211 31.823 0.053 0.000 0.999 178 V HN 0.856 nan 8.190 nan 0.000 0.426 179 S N 3.156 118.920 115.700 0.107 0.000 2.589 179 S HA 0.189 4.661 4.470 0.004 0.000 0.265 179 S C 0.833 175.538 174.600 0.174 0.000 1.342 179 S CA 0.430 58.706 58.200 0.126 0.000 1.005 179 S CB 0.288 63.559 63.200 0.119 0.000 0.909 179 S HN 1.160 nan 8.310 nan 0.000 0.555 180 Y N 0.873 121.215 120.300 0.070 0.000 2.207 180 Y HA -0.133 4.419 4.550 0.003 0.000 0.287 180 Y C 2.288 178.287 175.900 0.165 0.000 1.156 180 Y CA 2.295 60.467 58.100 0.120 0.000 1.182 180 Y CB -0.340 38.161 38.460 0.068 0.000 0.979 180 Y HN 0.894 nan 8.280 nan 0.000 0.521 181 E N -0.325 119.890 120.200 0.025 0.000 2.028 181 E HA -0.238 4.115 4.350 0.004 0.000 0.190 181 E C 2.207 178.756 176.600 -0.086 0.000 0.984 181 E CA 1.154 57.496 56.400 -0.097 0.000 0.800 181 E CB -0.147 29.569 29.700 0.026 0.000 0.758 181 E HN 0.594 nan 8.360 nan 0.000 0.448 182 Q N -0.198 119.617 119.800 0.024 0.000 2.118 182 Q HA -0.269 4.073 4.340 0.004 0.000 0.211 182 Q C 2.056 178.021 176.000 -0.059 0.000 0.998 182 Q CA 2.300 58.138 55.803 0.057 0.000 0.872 182 Q CB -0.415 28.415 28.738 0.154 0.000 0.925 182 Q HN 0.392 nan 8.270 nan 0.000 0.414 183 Y N 0.498 120.697 120.300 -0.168 0.000 2.165 183 Y HA -0.222 4.330 4.550 0.004 0.000 0.286 183 Y C 1.689 177.398 175.900 -0.317 0.000 1.155 183 Y CA 1.479 59.447 58.100 -0.220 0.000 1.164 183 Y CB -0.269 38.099 38.460 -0.153 0.000 0.978 183 Y HN 0.049 nan 8.280 nan 0.000 0.513 184 L N 0.013 120.807 121.223 -0.716 0.000 2.109 184 L HA -0.152 4.191 4.340 0.004 0.000 0.207 184 L C 2.300 178.644 176.870 -0.878 0.000 1.086 184 L CA 1.511 55.731 54.840 -1.033 0.000 0.760 184 L CB -0.593 40.945 42.059 -0.868 0.000 0.910 184 L HN 0.392 nan 8.230 nan 0.000 0.437 185 S N -1.727 113.712 115.700 -0.434 0.000 2.701 185 S HA 0.045 4.518 4.470 0.004 0.000 0.220 185 S C 1.476 175.989 174.600 -0.145 0.000 0.954 185 S CA 0.209 58.298 58.200 -0.185 0.000 0.936 185 S CB 0.062 63.240 63.200 -0.036 0.000 0.777 185 S HN 0.358 nan 8.310 nan 0.000 0.518 186 M N 0.240 119.668 119.600 -0.286 0.000 2.567 186 M HA 0.178 4.660 4.480 0.004 0.000 0.261 186 M C 1.337 177.512 176.300 -0.209 0.000 1.180 186 M CA 0.476 55.642 55.300 -0.223 0.000 1.143 186 M CB 0.368 32.792 32.600 -0.292 0.000 1.319 186 M HN 0.239 nan 8.290 nan 0.000 0.490 187 V N -0.745 118.936 119.914 -0.388 0.000 2.951 187 V HA -0.062 4.060 4.120 0.004 0.000 0.255 187 V C 1.350 177.437 176.094 -0.011 0.000 1.088 187 V CA 1.166 63.296 62.300 -0.283 0.000 1.109 187 V CB -0.590 30.933 31.823 -0.499 0.000 0.724 187 V HN 0.403 nan 8.190 nan 0.000 0.471 188 F N -0.410 119.453 119.950 -0.144 0.000 2.692 188 F HA 0.219 4.748 4.527 0.003 0.000 0.303 188 F C 1.306 177.074 175.800 -0.053 0.000 1.114 188 F CA -0.308 57.639 58.000 -0.088 0.000 1.361 188 F CB 0.270 39.217 39.000 -0.089 0.000 1.063 188 F HN -0.001 nan 8.300 nan 0.000 0.550 189 S N 2.531 118.290 115.700 0.098 0.000 3.266 189 S HA 0.329 4.801 4.470 0.004 0.000 0.209 189 S C -0.053 174.589 174.600 0.070 0.000 1.409 189 S CA -0.029 58.214 58.200 0.072 0.000 1.179 189 S CB -0.405 62.824 63.200 0.048 0.000 1.218 189 S HN 0.284 nan 8.310 nan 0.000 0.514 190 I N 0.000 120.619 120.570 0.081 0.000 2.984 190 I HA 0.000 4.172 4.170 0.004 0.000 0.288 190 I CA 0.000 61.344 61.300 0.073 0.000 1.566 190 I CB 0.000 38.048 38.000 0.080 0.000 1.214 190 I HN 0.000 nan 8.210 nan 0.000 0.494