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 2hp5_1_C DATA FIRST_RESID 20 DATA SEQUENCE GSITENTSWN KEFSAEAVNG VFVLcKSSSK ScATNDLARA SKEYLPASTF DATA SEQUENCE KIPNAIIGLE TGVIKNEHQV FKWDGKPRAM KQWERDLTLR GAIQVSAVPV DATA SEQUENCE FQQIAREVGE VRMQKYLKKF SYGNQXXXXX XXXXXXXXXL RISAVNQVEF DATA SEQUENCE LESLYLNKLS ASKENQLIVK EALVTEAAPE YLVHSKTGFS GVGTESNPGV DATA SEQUENCE AWWVGWVEKE TEVYFFAFNM DIDNESKLPL RKSIPTKIME SEGII 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 20 G HA2 0.000 nan 3.960 nan 0.000 0.244 20 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 20 G C 0.000 174.899 174.900 -0.002 0.000 0.946 20 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 21 S N -1.409 114.294 115.700 0.005 0.000 2.588 21 S HA 0.840 5.311 4.470 0.001 0.000 0.269 21 S C -1.344 173.266 174.600 0.016 0.000 1.157 21 S CA -0.671 57.534 58.200 0.008 0.000 0.824 21 S CB 1.959 65.165 63.200 0.010 0.000 1.126 21 S HN 1.751 nan 8.310 nan 0.000 0.464 22 I N 1.267 121.845 120.570 0.013 0.000 2.752 22 I HA 0.699 4.870 4.170 0.001 0.000 0.295 22 I C -1.190 174.929 176.117 0.002 0.000 1.219 22 I CA -0.024 61.287 61.300 0.018 0.000 1.030 22 I CB 2.201 40.214 38.000 0.022 0.000 1.259 22 I HN 1.086 nan 8.210 nan 0.000 0.423 23 T N 3.731 118.281 114.554 -0.007 0.000 2.896 23 T HA 0.424 4.775 4.350 0.001 0.000 0.297 23 T C -1.237 173.422 174.700 -0.068 0.000 1.108 23 T CA -0.540 61.538 62.100 -0.037 0.000 1.004 23 T CB 1.805 70.644 68.868 -0.047 0.000 1.159 23 T HN 0.723 nan 8.240 nan 0.000 0.499 24 E N 2.334 122.484 120.200 -0.084 0.000 2.146 24 E HA 0.271 4.621 4.350 0.001 0.000 0.282 24 E C -0.597 175.887 176.600 -0.194 0.000 0.989 24 E CA -0.610 55.723 56.400 -0.111 0.000 0.799 24 E CB 0.543 30.202 29.700 -0.069 0.000 1.088 24 E HN 0.549 nan 8.360 nan 0.000 0.397 25 N N 3.946 122.446 118.700 -0.333 0.000 2.936 25 N HA 0.018 4.759 4.740 0.001 0.000 0.243 25 N C 0.499 175.809 175.510 -0.333 0.000 1.149 25 N CA 0.010 52.759 53.050 -0.503 0.000 0.914 25 N CB 0.930 38.724 38.487 -1.155 0.000 1.179 25 N HN 0.637 nan 8.380 nan 0.000 0.502 26 T N -1.433 113.027 114.554 -0.157 0.000 2.897 26 T HA -0.199 4.151 4.350 0.001 0.000 0.271 26 T C 1.883 176.593 174.700 0.017 0.000 1.084 26 T CA 1.633 63.704 62.100 -0.048 0.000 1.123 26 T CB -0.222 68.627 68.868 -0.032 0.000 0.865 26 T HN 0.371 nan 8.240 nan 0.000 0.496 27 S N -0.194 115.498 115.700 -0.015 0.000 2.447 27 S HA -0.082 4.389 4.470 0.001 0.000 0.233 27 S C 1.619 176.386 174.600 0.278 0.000 1.006 27 S CA 0.283 58.537 58.200 0.089 0.000 0.957 27 S CB -0.893 62.342 63.200 0.058 0.000 0.773 27 S HN 0.657 nan 8.310 nan 0.000 0.507 28 W N 2.787 124.163 121.300 0.127 0.000 2.425 28 W HA 0.193 4.853 4.660 0.001 0.000 0.277 28 W C 1.987 178.680 176.519 0.291 0.000 1.231 28 W CA -0.426 57.041 57.345 0.203 0.000 1.248 28 W CB -1.414 28.206 29.460 0.267 0.000 1.117 28 W HN 0.371 nan 8.180 nan 0.000 0.568 29 N N 0.747 119.685 118.700 0.396 0.000 2.192 29 N HA -0.177 4.563 4.740 0.001 0.000 0.188 29 N C 1.546 177.239 175.510 0.306 0.000 1.013 29 N CA 1.394 54.622 53.050 0.296 0.000 0.863 29 N CB -0.413 38.150 38.487 0.126 0.000 0.990 29 N HN 0.289 nan 8.380 nan 0.000 0.430 30 K N 0.841 121.382 120.400 0.235 0.000 2.160 30 K HA -0.126 4.194 4.320 0.001 0.000 0.206 30 K C 1.596 178.286 176.600 0.150 0.000 1.047 30 K CA 0.841 57.225 56.287 0.162 0.000 0.930 30 K CB 0.068 32.644 32.500 0.127 0.000 0.720 30 K HN 0.199 nan 8.250 nan 0.000 0.450 31 E N 0.099 120.411 120.200 0.187 0.000 2.072 31 E HA -0.105 4.246 4.350 0.001 0.000 0.190 31 E C 1.935 178.529 176.600 -0.009 0.000 0.982 31 E CA 1.141 57.562 56.400 0.036 0.000 0.803 31 E CB -0.144 29.512 29.700 -0.074 0.000 0.755 31 E HN 0.315 nan 8.360 nan 0.000 0.453 32 F N 0.915 120.905 119.950 0.067 0.000 2.163 32 F HA -0.083 4.445 4.527 0.001 0.000 0.297 32 F C 2.681 178.506 175.800 0.041 0.000 1.094 32 F CA 0.795 58.835 58.000 0.067 0.000 1.290 32 F CB -0.178 38.870 39.000 0.080 0.000 1.017 32 F HN -0.102 nan 8.300 nan 0.000 0.483 33 S N 0.088 115.931 115.700 0.238 0.000 2.383 33 S HA -0.110 4.361 4.470 0.001 0.000 0.227 33 S C 2.273 176.920 174.600 0.078 0.000 1.026 33 S CA 0.919 59.200 58.200 0.134 0.000 0.981 33 S CB -0.577 62.690 63.200 0.111 0.000 0.818 33 S HN 0.342 nan 8.310 nan 0.000 0.472 34 A N 1.241 124.098 122.820 0.061 0.000 2.070 34 A HA -0.052 4.269 4.320 0.001 0.000 0.220 34 A C 1.752 179.339 177.584 0.005 0.000 1.159 34 A CA 1.042 53.094 52.037 0.024 0.000 0.656 34 A CB -0.169 18.836 19.000 0.009 0.000 0.800 34 A HN 0.287 nan 8.150 nan 0.000 0.453 35 E N -1.062 119.142 120.200 0.005 0.000 2.474 35 E HA 0.347 4.698 4.350 0.001 0.000 0.195 35 E C 0.538 177.144 176.600 0.010 0.000 1.039 35 E CA 0.536 56.928 56.400 -0.014 0.000 0.881 35 E CB -0.123 29.546 29.700 -0.052 0.000 0.970 35 E HN 0.735 nan 8.360 nan 0.000 0.486 36 A N 0.536 123.376 122.820 0.034 0.000 2.303 36 A HA -0.167 4.153 4.320 0.001 0.000 0.286 36 A C -0.112 177.505 177.584 0.056 0.000 1.429 36 A CA 0.563 52.625 52.037 0.042 0.000 0.738 36 A CB -1.838 17.176 19.000 0.024 0.000 1.149 36 A HN 0.043 nan 8.150 nan 0.000 0.364 37 V N 2.934 122.907 119.914 0.098 0.000 2.623 37 V HA 0.441 4.561 4.120 0.001 0.000 0.304 37 V C -0.520 175.682 176.094 0.179 0.000 1.054 37 V CA -1.052 61.327 62.300 0.132 0.000 0.882 37 V CB 2.210 34.121 31.823 0.146 0.000 1.002 37 V HN 0.690 nan 8.190 nan 0.000 0.424 38 N N 3.867 122.631 118.700 0.107 0.000 2.457 38 N HA 0.723 5.463 4.740 0.001 0.000 0.250 38 N C 0.094 175.604 175.510 -0.000 0.000 0.982 38 N CA 0.018 53.096 53.050 0.048 0.000 0.941 38 N CB 2.287 40.778 38.487 0.006 0.000 1.120 38 N HN 0.962 nan 8.380 nan 0.000 0.505 39 G N -0.405 108.369 108.800 -0.043 0.000 2.619 39 G HA2 0.545 4.505 3.960 0.001 0.000 0.305 39 G HA3 0.545 4.505 3.960 0.001 0.000 0.305 39 G C -1.762 172.833 174.900 -0.509 0.000 1.330 39 G CA -0.349 44.631 45.100 -0.199 0.000 0.789 39 G HN 0.335 nan 8.290 nan 0.000 0.487 40 V N -0.638 119.014 119.914 -0.437 0.000 3.114 40 V HA 0.872 4.992 4.120 0.001 0.000 0.308 40 V C -1.959 174.207 176.094 0.120 0.000 1.168 40 V CA -0.914 61.202 62.300 -0.307 0.000 1.015 40 V CB 2.124 33.853 31.823 -0.156 0.000 1.050 40 V HN 1.006 nan 8.190 nan 0.000 0.433 41 F N 4.531 124.614 119.950 0.221 0.000 2.557 41 F HA 0.769 5.296 4.527 0.001 0.000 0.316 41 F C -1.054 174.973 175.800 0.377 0.000 1.141 41 F CA -0.575 57.683 58.000 0.430 0.000 0.922 41 F CB 1.940 41.302 39.000 0.604 0.000 1.194 41 F HN 0.304 nan 8.300 nan 0.000 0.443 42 V N 7.117 126.913 119.914 -0.197 0.000 2.448 42 V HA 0.575 4.695 4.120 0.001 0.000 0.295 42 V C -1.165 174.717 176.094 -0.353 0.000 1.025 42 V CA -0.708 61.518 62.300 -0.122 0.000 0.859 42 V CB 1.612 33.462 31.823 0.046 0.000 0.988 42 V HN 0.663 nan 8.190 nan 0.000 0.431 43 L N 6.205 127.355 121.223 -0.123 0.000 2.409 43 L HA 0.762 5.103 4.340 0.001 0.000 0.272 43 L C -0.862 176.141 176.870 0.222 0.000 0.980 43 L CA 0.210 55.057 54.840 0.013 0.000 0.826 43 L CB 1.507 43.601 42.059 0.058 0.000 1.268 43 L HN 0.770 nan 8.230 nan 0.000 0.407 44 c N 3.781 122.547 118.600 0.277 0.000 2.396 44 c HA 0.485 5.056 4.570 0.001 0.000 0.321 44 c C -0.164 174.093 174.090 0.278 0.000 1.233 44 c CA -1.174 55.318 56.329 0.272 0.000 1.440 44 c CB 1.266 43.918 42.510 0.236 0.000 2.110 44 c HN 0.810 nan 8.230 nan 0.000 0.473 45 K N 1.997 122.511 120.400 0.190 0.000 2.285 45 K HA 0.180 4.501 4.320 0.001 0.000 0.286 45 K C 1.200 177.792 176.600 -0.014 0.000 1.072 45 K CA 0.041 56.320 56.287 -0.013 0.000 0.913 45 K CB 0.809 33.333 32.500 0.040 0.000 1.067 45 K HN 0.792 nan 8.250 nan 0.000 0.479 46 S N 2.472 118.124 115.700 -0.080 0.000 2.359 46 S HA -0.157 4.313 4.470 0.001 0.000 0.224 46 S C 1.789 176.390 174.600 0.003 0.000 1.035 46 S CA 2.136 60.361 58.200 0.042 0.000 1.018 46 S CB -0.103 63.092 63.200 -0.008 0.000 0.876 46 S HN 0.736 nan 8.310 nan 0.000 0.448 47 S N -0.247 115.425 115.700 -0.046 0.000 2.436 47 S HA 0.103 4.573 4.470 0.001 0.000 0.228 47 S C 1.983 176.580 174.600 -0.005 0.000 1.014 47 S CA 1.075 59.262 58.200 -0.021 0.000 0.950 47 S CB -0.408 62.773 63.200 -0.032 0.000 0.784 47 S HN 0.549 nan 8.310 nan 0.000 0.504 48 S N 0.425 116.123 115.700 -0.002 0.000 2.489 48 S HA 0.110 4.581 4.470 0.001 0.000 0.228 48 S C 0.804 175.418 174.600 0.022 0.000 0.995 48 S CA 0.576 58.787 58.200 0.019 0.000 0.934 48 S CB -0.146 63.077 63.200 0.038 0.000 0.771 48 S HN 0.574 nan 8.310 nan 0.000 0.522 49 K N 0.935 121.348 120.400 0.022 0.000 3.160 49 K HA -0.140 4.181 4.320 0.001 0.000 0.280 49 K C -0.572 176.045 176.600 0.028 0.000 1.154 49 K CA 0.711 57.009 56.287 0.019 0.000 0.822 49 K CB -1.641 30.863 32.500 0.006 0.000 1.239 49 K HN 0.223 nan 8.250 nan 0.000 0.489 50 S N 0.134 115.865 115.700 0.052 0.000 2.756 50 S HA 0.529 5.000 4.470 0.001 0.000 0.303 50 S C -0.241 174.418 174.600 0.098 0.000 1.135 50 S CA -0.735 57.502 58.200 0.062 0.000 1.066 50 S CB 0.621 63.858 63.200 0.060 0.000 1.008 50 S HN 0.343 nan 8.310 nan 0.000 0.482 51 c N 3.639 122.291 118.600 0.086 0.000 2.382 51 c HA 0.971 5.542 4.570 0.001 0.000 0.363 51 c C 0.708 174.869 174.090 0.118 0.000 1.213 51 c CA -0.333 56.065 56.329 0.114 0.000 2.363 51 c CB 0.484 43.043 42.510 0.082 0.000 2.397 51 c HN 0.976 nan 8.230 nan 0.000 0.573 52 A N 1.186 124.112 122.820 0.177 0.000 2.520 52 A HA 0.831 5.152 4.320 0.001 0.000 0.298 52 A C -0.635 177.125 177.584 0.293 0.000 1.051 52 A CA -0.239 51.891 52.037 0.154 0.000 0.690 52 A CB 1.829 20.910 19.000 0.135 0.000 1.281 52 A HN 0.825 nan 8.150 nan 0.000 0.402 53 T N -0.172 114.476 114.554 0.156 0.000 2.843 53 T HA 0.396 4.747 4.350 0.001 0.000 0.302 53 T C 0.481 175.294 174.700 0.189 0.000 1.232 53 T CA 0.024 62.296 62.100 0.286 0.000 1.009 53 T CB 1.152 70.113 68.868 0.155 0.000 1.254 53 T HN 0.862 nan 8.240 nan 0.000 0.504 54 N N 1.330 120.222 118.700 0.320 0.000 2.424 54 N HA 0.070 4.811 4.740 0.001 0.000 0.178 54 N C -0.357 175.156 175.510 0.005 0.000 1.060 54 N CA 0.338 53.500 53.050 0.186 0.000 0.901 54 N CB 0.399 39.050 38.487 0.274 0.000 0.979 54 N HN 0.566 nan 8.380 nan 0.000 0.451 55 D N -0.215 120.175 120.400 -0.018 0.000 2.470 55 D HA 0.254 4.894 4.640 0.001 0.000 0.233 55 D C 0.633 176.921 176.300 -0.021 0.000 1.372 55 D CA -0.478 53.491 54.000 -0.052 0.000 0.994 55 D CB 1.083 41.812 40.800 -0.118 0.000 1.377 55 D HN -0.107 nan 8.370 nan 0.000 0.586 56 L N 2.409 123.624 121.223 -0.014 0.000 2.046 56 L HA -0.027 4.314 4.340 0.001 0.000 0.208 56 L C 2.505 179.374 176.870 -0.003 0.000 1.077 56 L CA 1.539 56.377 54.840 -0.003 0.000 0.747 56 L CB -0.330 41.723 42.059 -0.009 0.000 0.896 56 L HN 0.525 nan 8.230 nan 0.000 0.432 57 A N -0.085 122.727 122.820 -0.012 0.000 1.908 57 A HA -0.257 4.064 4.320 0.001 0.000 0.218 57 A C 2.461 180.042 177.584 -0.005 0.000 1.181 57 A CA 1.948 53.978 52.037 -0.012 0.000 0.627 57 A CB -0.551 18.439 19.000 -0.016 0.000 0.818 57 A HN 0.361 nan 8.150 nan 0.000 0.445 58 R N -0.821 119.678 120.500 -0.001 0.000 2.161 58 R HA 0.117 4.457 4.340 0.001 0.000 0.213 58 R C 2.146 178.485 176.300 0.065 0.000 1.055 58 R CA 0.946 57.066 56.100 0.033 0.000 0.996 58 R CB -0.267 30.034 30.300 0.001 0.000 0.901 58 R HN 0.431 nan 8.270 nan 0.000 0.456 59 A N -0.235 122.610 122.820 0.042 0.000 2.070 59 A HA -0.071 4.250 4.320 0.001 0.000 0.220 59 A C 1.880 179.508 177.584 0.074 0.000 1.159 59 A CA 1.555 53.635 52.037 0.071 0.000 0.656 59 A CB -0.109 18.927 19.000 0.061 0.000 0.800 59 A HN 0.316 nan 8.150 nan 0.000 0.453 60 S N -0.899 114.822 115.700 0.036 0.000 2.492 60 S HA 0.113 4.583 4.470 0.001 0.000 0.218 60 S C 0.771 175.358 174.600 -0.023 0.000 1.016 60 S CA -0.103 58.104 58.200 0.012 0.000 0.916 60 S CB 0.077 63.274 63.200 -0.005 0.000 0.791 60 S HN 0.549 nan 8.310 nan 0.000 0.513 61 K N 2.253 122.624 120.400 -0.049 0.000 2.436 61 K HA 0.108 4.428 4.320 0.001 0.000 0.275 61 K C -0.207 176.204 176.600 -0.315 0.000 0.999 61 K CA 0.528 56.692 56.287 -0.206 0.000 0.980 61 K CB 0.377 32.719 32.500 -0.263 0.000 0.919 61 K HN 0.288 nan 8.250 nan 0.000 0.484 62 E N 2.593 122.545 120.200 -0.413 0.000 2.133 62 E HA 0.206 4.557 4.350 0.001 0.000 0.274 62 E C -1.191 175.181 176.600 -0.379 0.000 0.930 62 E CA -0.513 55.737 56.400 -0.250 0.000 0.770 62 E CB 0.946 30.569 29.700 -0.128 0.000 1.104 62 E HN 0.331 nan 8.360 nan 0.000 0.403 63 Y N 0.811 121.241 120.300 0.216 0.000 2.485 63 Y HA 0.280 4.830 4.550 0.001 0.000 0.345 63 Y C 0.293 176.381 175.900 0.313 0.000 0.998 63 Y CA -1.103 57.147 58.100 0.250 0.000 1.059 63 Y CB 1.125 39.736 38.460 0.252 0.000 1.234 63 Y HN 0.389 nan 8.280 nan 0.000 0.461 64 L N 5.410 126.865 121.223 0.386 0.000 2.667 64 L HA -0.077 4.264 4.340 0.001 0.000 0.278 64 L C -1.215 175.894 176.870 0.399 0.000 1.217 64 L CA -0.651 54.353 54.840 0.274 0.000 0.935 64 L CB 0.566 42.739 42.059 0.190 0.000 1.193 64 L HN 0.550 nan 8.230 nan 0.000 0.493 65 P HA -0.208 nan 4.420 nan 0.000 0.218 65 P C 0.847 178.188 177.300 0.068 0.000 1.148 65 P CA 1.428 64.499 63.100 -0.050 0.000 0.822 65 P CB 0.124 31.858 31.700 0.058 0.000 0.784 66 A N -0.207 122.707 122.820 0.157 0.000 5.585 66 A HA -0.283 4.037 4.320 0.001 0.000 0.295 66 A C 1.881 179.551 177.584 0.142 0.000 1.985 66 A CA 1.918 54.054 52.037 0.165 0.000 0.716 66 A CB -2.404 16.756 19.000 0.267 0.000 1.237 66 A HN 0.208 nan 8.150 nan 0.000 0.371 67 S N 0.355 116.151 115.700 0.159 0.000 2.500 67 S HA -0.031 4.439 4.470 0.001 0.000 0.239 67 S C 1.774 176.398 174.600 0.041 0.000 0.989 67 S CA 2.063 60.318 58.200 0.092 0.000 0.951 67 S CB -0.748 62.533 63.200 0.135 0.000 0.759 67 S HN 1.678 nan 8.310 nan 0.000 0.523 68 T N -1.240 113.352 114.554 0.063 0.000 3.113 68 T HA 0.058 4.408 4.350 0.001 0.000 0.263 68 T C 1.224 175.933 174.700 0.014 0.000 1.143 68 T CA 0.209 62.316 62.100 0.011 0.000 1.090 68 T CB -0.536 68.267 68.868 -0.108 0.000 0.922 68 T HN 0.346 nan 8.240 nan 0.000 0.521 69 F N 2.015 121.889 119.950 -0.127 0.000 2.661 69 F HA 0.335 4.863 4.527 0.001 0.000 0.298 69 F C 1.867 177.500 175.800 -0.278 0.000 1.137 69 F CA 0.057 57.945 58.000 -0.187 0.000 1.454 69 F CB -0.154 38.771 39.000 -0.125 0.000 1.103 69 F HN 0.061 nan 8.300 nan 0.000 0.577 70 K N 0.097 120.273 120.400 -0.373 0.000 2.504 70 K HA -0.039 4.282 4.320 0.001 0.000 0.195 70 K C 1.793 178.105 176.600 -0.479 0.000 1.036 70 K CA 0.883 56.714 56.287 -0.761 0.000 0.984 70 K CB 0.014 31.889 32.500 -1.042 0.000 0.788 70 K HN 0.385 nan 8.250 nan 0.000 0.488 71 I N 1.561 121.972 120.570 -0.265 0.000 2.206 71 I HA -0.127 4.043 4.170 0.001 0.000 0.239 71 I C -0.863 175.222 176.117 -0.053 0.000 1.078 71 I CA 0.528 61.798 61.300 -0.051 0.000 1.367 71 I CB -1.292 36.800 38.000 0.154 0.000 1.078 71 I HN -0.003 nan 8.210 nan 0.000 0.413 72 P HA -0.194 nan 4.420 nan 0.000 0.215 72 P C 1.151 178.261 177.300 -0.316 0.000 1.153 72 P CA 1.794 64.749 63.100 -0.242 0.000 0.853 72 P CB -0.285 30.850 31.700 -0.942 0.000 0.788 73 N N 0.547 118.877 118.700 -0.616 0.000 2.069 73 N HA -0.168 4.573 4.740 0.001 0.000 0.191 73 N C 1.815 177.318 175.510 -0.012 0.000 1.031 73 N CA 2.007 54.846 53.050 -0.352 0.000 0.852 73 N CB -1.003 37.294 38.487 -0.317 0.000 1.018 73 N HN 0.012 nan 8.380 nan 0.000 0.423 74 A N 0.724 123.613 122.820 0.116 0.000 1.902 74 A HA -0.082 4.239 4.320 0.001 0.000 0.217 74 A C 2.468 180.109 177.584 0.095 0.000 1.181 74 A CA 1.317 53.488 52.037 0.222 0.000 0.623 74 A CB -0.766 18.396 19.000 0.270 0.000 0.818 74 A HN 0.393 nan 8.150 nan 0.000 0.443 75 I N -0.268 120.349 120.570 0.079 0.000 2.127 75 I HA -0.290 3.880 4.170 0.001 0.000 0.241 75 I C 2.310 178.445 176.117 0.029 0.000 1.075 75 I CA 1.639 63.001 61.300 0.102 0.000 1.334 75 I CB -0.452 37.680 38.000 0.220 0.000 1.040 75 I HN 0.295 nan 8.210 nan 0.000 0.405 76 I N 0.868 121.399 120.570 -0.065 0.000 2.226 76 I HA -0.209 3.961 4.170 0.001 0.000 0.245 76 I C 2.693 178.645 176.117 -0.274 0.000 1.100 76 I CA 1.649 62.735 61.300 -0.357 0.000 1.374 76 I CB -1.001 36.743 38.000 -0.426 0.000 1.057 76 I HN 0.282 nan 8.210 nan 0.000 0.413 77 G N 0.912 109.640 108.800 -0.121 0.000 2.432 77 G HA2 -0.179 3.781 3.960 0.001 0.000 0.219 77 G HA3 -0.179 3.781 3.960 0.001 0.000 0.219 77 G C 1.728 176.601 174.900 -0.045 0.000 1.135 77 G CA 0.560 45.621 45.100 -0.063 0.000 0.767 77 G HN 0.250 nan 8.290 nan 0.000 0.550 78 L N -0.259 120.946 121.223 -0.030 0.000 2.044 78 L HA 0.038 4.379 4.340 0.001 0.000 0.205 78 L C 2.950 179.796 176.870 -0.040 0.000 1.075 78 L CA 0.891 55.721 54.840 -0.018 0.000 0.747 78 L CB -0.242 41.822 42.059 0.007 0.000 0.903 78 L HN 0.053 nan 8.230 nan 0.000 0.435 79 E N -0.088 120.065 120.200 -0.077 0.000 2.070 79 E HA -0.238 4.113 4.350 0.001 0.000 0.197 79 E C 2.225 178.777 176.600 -0.080 0.000 1.004 79 E CA 2.124 58.477 56.400 -0.079 0.000 0.805 79 E CB -0.514 29.091 29.700 -0.158 0.000 0.744 79 E HN 0.567 nan 8.360 nan 0.000 0.451 80 T N -3.041 111.415 114.554 -0.164 0.000 2.962 80 T HA 0.033 4.384 4.350 0.001 0.000 0.270 80 T C 1.569 176.253 174.700 -0.027 0.000 1.088 80 T CA 1.485 63.537 62.100 -0.080 0.000 1.127 80 T CB -0.030 68.774 68.868 -0.106 0.000 0.883 80 T HN 0.310 nan 8.240 nan 0.000 0.493 81 G N -0.144 108.638 108.800 -0.031 0.000 2.176 81 G HA2 -0.295 3.666 3.960 0.001 0.000 0.232 81 G HA3 -0.295 3.666 3.960 0.001 0.000 0.232 81 G C 0.911 175.802 174.900 -0.015 0.000 0.986 81 G CA 0.196 45.287 45.100 -0.015 0.000 0.643 81 G HN 0.512 nan 8.290 nan 0.000 0.522 82 V N 0.871 120.775 119.914 -0.017 0.000 2.287 82 V HA -0.008 4.113 4.120 0.001 0.000 0.248 82 V C 1.832 177.926 176.094 0.002 0.000 1.053 82 V CA 2.019 64.316 62.300 -0.005 0.000 1.027 82 V CB -0.286 31.534 31.823 -0.005 0.000 0.646 82 V HN 0.509 nan 8.190 nan 0.000 0.447 83 I N 0.716 121.290 120.570 0.007 0.000 2.396 83 I HA 0.084 4.254 4.170 0.001 0.000 0.289 83 I C 1.390 177.487 176.117 -0.033 0.000 1.056 83 I CA 0.274 61.574 61.300 0.000 0.000 1.365 83 I CB 0.869 38.903 38.000 0.057 0.000 1.407 83 I HN 0.095 nan 8.210 nan 0.000 0.509 84 K N 5.438 125.798 120.400 -0.067 0.000 2.001 84 K HA -0.113 4.208 4.320 0.001 0.000 0.208 84 K C 0.274 176.848 176.600 -0.043 0.000 1.048 84 K CA 1.580 57.836 56.287 -0.051 0.000 0.932 84 K CB 0.227 32.691 32.500 -0.060 0.000 0.715 84 K HN 0.911 nan 8.250 nan 0.000 0.437 85 N N -2.141 116.519 118.700 -0.065 0.000 3.441 85 N HA -0.088 4.653 4.740 0.001 0.000 0.313 85 N C -0.429 175.003 175.510 -0.130 0.000 1.526 85 N CA -0.605 52.397 53.050 -0.080 0.000 0.871 85 N CB 0.198 38.650 38.487 -0.059 0.000 1.779 85 N HN -0.044 nan 8.380 nan 0.000 0.529 86 E N -0.539 119.518 120.200 -0.238 0.000 2.502 86 E HA -0.060 4.291 4.350 0.001 0.000 0.194 86 E C -0.222 176.207 176.600 -0.285 0.000 1.062 86 E CA 0.867 57.119 56.400 -0.247 0.000 0.867 86 E CB -0.487 29.059 29.700 -0.257 0.000 0.888 86 E HN 0.760 nan 8.360 nan 0.000 0.510 87 H N 0.058 119.103 119.070 -0.042 0.000 2.586 87 H HA 0.117 4.674 4.556 0.001 0.000 0.273 87 H C 0.350 175.612 175.328 -0.110 0.000 0.997 87 H CA -0.275 55.742 56.048 -0.053 0.000 1.177 87 H CB 0.361 30.099 29.762 -0.041 0.000 1.471 87 H HN 0.069 nan 8.280 nan 0.000 0.538 88 Q N 2.176 121.910 119.800 -0.110 0.000 2.264 88 Q HA 0.022 4.363 4.340 0.001 0.000 0.296 88 Q C -0.803 174.950 176.000 -0.411 0.000 1.103 88 Q CA -0.019 55.598 55.803 -0.310 0.000 0.967 88 Q CB 0.310 28.766 28.738 -0.471 0.000 1.090 88 Q HN 0.131 nan 8.270 nan 0.000 0.379 89 V N 6.080 125.800 119.914 -0.324 0.000 2.509 89 V HA 0.314 4.435 4.120 0.001 0.000 0.284 89 V C -0.330 175.542 176.094 -0.369 0.000 1.047 89 V CA -0.471 61.689 62.300 -0.234 0.000 0.952 89 V CB 0.532 32.314 31.823 -0.068 0.000 0.988 89 V HN 0.646 nan 8.190 nan 0.000 0.469 90 F N 3.605 123.555 119.950 0.001 0.000 2.350 90 F HA 0.405 4.933 4.527 0.001 0.000 0.365 90 F C 0.860 176.689 175.800 0.048 0.000 1.122 90 F CA -0.620 57.375 58.000 -0.008 0.000 1.139 90 F CB 0.720 39.685 39.000 -0.059 0.000 1.220 90 F HN 0.323 nan 8.300 nan 0.000 0.499 91 K N 3.529 124.035 120.400 0.178 0.000 2.310 91 K HA 0.013 4.334 4.320 0.001 0.000 0.290 91 K C -0.514 176.224 176.600 0.230 0.000 1.077 91 K CA -0.600 55.787 56.287 0.166 0.000 0.922 91 K CB 0.683 33.233 32.500 0.084 0.000 1.057 91 K HN 0.573 nan 8.250 nan 0.000 0.479 92 W N 5.653 126.995 121.300 0.070 0.000 2.322 92 W HA -0.054 4.606 4.660 0.001 0.000 0.328 92 W C 0.725 177.275 176.519 0.051 0.000 1.395 92 W CA -0.213 57.171 57.345 0.065 0.000 1.267 92 W CB 0.351 29.855 29.460 0.075 0.000 1.259 92 W HN 0.653 nan 8.180 nan 0.000 0.560 93 D N 3.070 123.294 120.400 -0.293 0.000 2.378 93 D HA 0.016 4.656 4.640 0.001 0.000 0.227 93 D C 1.682 177.574 176.300 -0.680 0.000 1.012 93 D CA 0.860 54.644 54.000 -0.360 0.000 0.905 93 D CB -0.399 40.282 40.800 -0.200 0.000 0.895 93 D HN 0.747 nan 8.370 nan 0.000 0.532 94 G N -0.034 107.822 108.800 -1.574 0.000 2.175 94 G HA2 -0.284 3.676 3.960 0.001 0.000 0.244 94 G HA3 -0.284 3.676 3.960 0.001 0.000 0.244 94 G C 0.172 174.370 174.900 -1.170 0.000 0.982 94 G CA 0.125 44.146 45.100 -1.797 0.000 0.641 94 G HN 0.468 nan 8.290 nan 0.000 0.527 95 K N 1.020 120.968 120.400 -0.754 0.000 2.118 95 K HA 0.470 4.791 4.320 0.001 0.000 0.264 95 K C -2.430 174.296 176.600 0.210 0.000 1.000 95 K CA -1.875 54.311 56.287 -0.169 0.000 0.929 95 K CB 0.907 33.353 32.500 -0.089 0.000 1.021 95 K HN -0.009 nan 8.250 nan 0.000 0.463 96 P HA 0.041 nan 4.420 nan 0.000 0.266 96 P C -0.794 176.697 177.300 0.319 0.000 1.195 96 P CA 0.298 63.579 63.100 0.301 0.000 0.768 96 P CB 0.605 32.409 31.700 0.174 0.000 0.838 97 R N 1.598 122.295 120.500 0.328 0.000 2.854 97 R HA 0.585 4.925 4.340 0.001 0.000 0.271 97 R C 1.242 177.679 176.300 0.229 0.000 0.996 97 R CA -0.835 55.463 56.100 0.329 0.000 0.961 97 R CB 1.413 31.966 30.300 0.421 0.000 1.182 97 R HN 0.363 nan 8.270 nan 0.000 0.479 98 A N 1.947 124.937 122.820 0.282 0.000 1.948 98 A HA -0.106 4.215 4.320 0.001 0.000 0.220 98 A C 0.740 178.241 177.584 -0.138 0.000 1.177 98 A CA 1.471 53.581 52.037 0.122 0.000 0.636 98 A CB -0.149 19.002 19.000 0.252 0.000 0.815 98 A HN 0.517 nan 8.150 nan 0.000 0.449 99 M N -0.862 118.519 119.600 -0.366 0.000 2.528 99 M HA 0.232 4.712 4.480 0.001 0.000 0.321 99 M C 1.099 177.204 176.300 -0.326 0.000 1.153 99 M CA -0.669 54.274 55.300 -0.596 0.000 0.951 99 M CB 2.045 33.795 32.600 -1.416 0.000 1.705 99 M HN 0.279 nan 8.290 nan 0.000 0.451 100 K N 1.384 121.632 120.400 -0.254 0.000 2.217 100 K HA -0.155 4.166 4.320 0.001 0.000 0.202 100 K C 1.143 177.637 176.600 -0.176 0.000 1.051 100 K CA 1.506 57.696 56.287 -0.162 0.000 0.952 100 K CB -0.127 32.303 32.500 -0.116 0.000 0.736 100 K HN 0.858 nan 8.250 nan 0.000 0.453 101 Q N -0.682 118.984 119.800 -0.223 0.000 2.378 101 Q HA -0.036 4.305 4.340 0.001 0.000 0.205 101 Q C 0.960 176.967 176.000 0.011 0.000 0.954 101 Q CA 0.344 56.069 55.803 -0.128 0.000 0.901 101 Q CB -0.115 28.552 28.738 -0.118 0.000 0.981 101 Q HN 0.292 nan 8.270 nan 0.000 0.483 102 W N 1.962 123.186 121.300 -0.126 0.000 3.003 102 W HA 0.204 4.865 4.660 0.001 0.000 0.257 102 W C 0.056 176.352 176.519 -0.371 0.000 1.308 102 W CA -0.283 56.970 57.345 -0.153 0.000 1.529 102 W CB 0.071 29.493 29.460 -0.065 0.000 1.115 102 W HN 0.204 nan 8.180 nan 0.000 0.659 103 E N 2.083 122.083 120.200 -0.333 0.000 1.972 103 E HA 0.148 4.499 4.350 0.001 0.000 0.292 103 E C 0.560 176.404 176.600 -1.260 0.000 1.193 103 E CA 0.065 55.813 56.400 -1.087 0.000 1.228 103 E CB -0.253 29.016 29.700 -0.719 0.000 1.167 103 E HN 0.147 nan 8.360 nan 0.000 0.479 104 R N 0.018 119.946 120.500 -0.954 0.000 2.774 104 R HA 0.249 4.589 4.340 0.001 0.000 0.279 104 R C -1.545 174.725 176.300 -0.050 0.000 1.022 104 R CA -0.993 54.890 56.100 -0.362 0.000 0.855 104 R CB 0.538 30.733 30.300 -0.175 0.000 1.279 104 R HN -0.125 nan 8.270 nan 0.000 0.485 105 D N 1.018 121.489 120.400 0.117 0.000 2.399 105 D HA 0.367 5.008 4.640 0.001 0.000 0.241 105 D C -0.307 176.065 176.300 0.119 0.000 1.133 105 D CA 0.357 54.453 54.000 0.160 0.000 0.890 105 D CB 0.799 41.686 40.800 0.146 0.000 1.201 105 D HN 0.297 nan 8.370 nan 0.000 0.432 106 L N 0.979 122.302 121.223 0.167 0.000 2.422 106 L HA 0.307 4.648 4.340 0.001 0.000 0.264 106 L C 0.851 177.872 176.870 0.252 0.000 0.984 106 L CA -0.811 54.133 54.840 0.174 0.000 0.819 106 L CB 2.199 44.345 42.059 0.144 0.000 1.330 106 L HN 0.395 nan 8.230 nan 0.000 0.410 107 T N -1.289 113.381 114.554 0.193 0.000 2.729 107 T HA 0.185 4.536 4.350 0.001 0.000 0.298 107 T C 0.893 175.782 174.700 0.315 0.000 1.013 107 T CA -0.372 61.847 62.100 0.198 0.000 0.957 107 T CB 0.723 69.666 68.868 0.125 0.000 1.130 107 T HN 0.464 nan 8.240 nan 0.000 0.526 108 L N 0.178 121.581 121.223 0.301 0.000 2.027 108 L HA 0.154 4.495 4.340 0.001 0.000 0.206 108 L C 3.033 180.035 176.870 0.220 0.000 1.074 108 L CA 1.648 56.685 54.840 0.328 0.000 0.745 108 L CB -0.852 41.371 42.059 0.274 0.000 0.898 108 L HN 0.791 nan 8.230 nan 0.000 0.433 109 R N -0.681 119.916 120.500 0.162 0.000 2.083 109 R HA -0.160 4.181 4.340 0.001 0.000 0.237 109 R C 2.167 178.544 176.300 0.129 0.000 1.137 109 R CA 1.568 57.745 56.100 0.129 0.000 0.951 109 R CB -0.887 29.468 30.300 0.093 0.000 0.851 109 R HN 0.561 nan 8.270 nan 0.000 0.434 110 G N -0.075 108.802 108.800 0.129 0.000 2.446 110 G HA2 -0.312 3.648 3.960 0.001 0.000 0.217 110 G HA3 -0.312 3.648 3.960 0.001 0.000 0.217 110 G C 1.503 176.479 174.900 0.127 0.000 1.168 110 G CA 0.897 46.070 45.100 0.122 0.000 0.771 110 G HN 0.504 nan 8.290 nan 0.000 0.551 111 A N 0.289 123.187 122.820 0.129 0.000 1.972 111 A HA 0.100 4.421 4.320 0.001 0.000 0.219 111 A C 2.380 180.089 177.584 0.209 0.000 1.169 111 A CA 1.237 53.329 52.037 0.091 0.000 0.635 111 A CB -0.251 18.690 19.000 -0.099 0.000 0.810 111 A HN 0.419 nan 8.150 nan 0.000 0.446 112 I N -1.264 119.434 120.570 0.214 0.000 2.480 112 I HA -0.141 4.029 4.170 0.001 0.000 0.251 112 I C 2.493 178.673 176.117 0.106 0.000 1.124 112 I CA 0.645 62.022 61.300 0.127 0.000 1.444 112 I CB -0.223 37.846 38.000 0.116 0.000 1.098 112 I HN 0.261 nan 8.210 nan 0.000 0.428 113 Q N 0.433 120.307 119.800 0.123 0.000 2.172 113 Q HA -0.076 4.265 4.340 0.001 0.000 0.200 113 Q C 2.074 178.164 176.000 0.149 0.000 0.964 113 Q CA 1.448 57.325 55.803 0.123 0.000 0.855 113 Q CB -0.111 28.690 28.738 0.104 0.000 0.918 113 Q HN 0.553 nan 8.270 nan 0.000 0.444 114 V N -3.460 116.565 119.914 0.185 0.000 3.542 114 V HA 0.255 4.376 4.120 0.001 0.000 0.296 114 V C 0.366 176.709 176.094 0.415 0.000 1.364 114 V CA 0.058 62.525 62.300 0.279 0.000 1.118 114 V CB 0.019 32.038 31.823 0.327 0.000 0.972 114 V HN 0.125 nan 8.190 nan 0.000 0.430 115 S N 0.743 116.587 115.700 0.239 0.000 3.706 115 S HA -0.174 4.296 4.470 0.001 0.000 0.363 115 S C 0.721 175.277 174.600 -0.073 0.000 0.999 115 S CA 0.494 58.792 58.200 0.163 0.000 1.143 115 S CB -1.728 61.634 63.200 0.270 0.000 0.902 115 S HN 1.808 nan 8.310 nan 0.000 0.476 116 A N 0.722 123.343 122.820 -0.332 0.000 2.639 116 A HA 0.439 4.760 4.320 0.001 0.000 0.295 116 A C 1.357 178.505 177.584 -0.727 0.000 1.443 116 A CA 0.087 51.500 52.037 -1.040 0.000 1.117 116 A CB -0.058 18.612 19.000 -0.550 0.000 1.098 116 A HN 0.572 nan 8.150 nan 0.000 0.552 117 V N 4.300 123.598 119.914 -1.026 0.000 2.287 117 V HA -0.164 3.956 4.120 0.001 0.000 0.248 117 V C -0.162 175.764 176.094 -0.280 0.000 1.053 117 V CA 2.668 64.697 62.300 -0.451 0.000 1.027 117 V CB -1.038 30.604 31.823 -0.301 0.000 0.646 117 V HN 0.669 nan 8.190 nan 0.000 0.447 118 P HA -0.111 nan 4.420 nan 0.000 0.218 118 P C 1.803 179.024 177.300 -0.132 0.000 1.148 118 P CA 1.236 64.262 63.100 -0.124 0.000 0.822 118 P CB -0.061 31.623 31.700 -0.028 0.000 0.784 119 V N -1.743 118.028 119.914 -0.238 0.000 2.323 119 V HA -0.184 3.937 4.120 0.001 0.000 0.244 119 V C 2.033 177.842 176.094 -0.475 0.000 1.041 119 V CA 1.687 63.751 62.300 -0.394 0.000 1.025 119 V CB -1.279 30.169 31.823 -0.624 0.000 0.656 119 V HN -0.005 nan 8.190 nan 0.000 0.451 120 F N -0.110 119.671 119.950 -0.282 0.000 2.456 120 F HA -0.044 4.483 4.527 0.001 0.000 0.298 120 F C 2.517 178.260 175.800 -0.096 0.000 1.104 120 F CA 1.029 58.914 58.000 -0.193 0.000 1.435 120 F CB -0.275 38.629 39.000 -0.160 0.000 1.078 120 F HN 0.107 nan 8.300 nan 0.000 0.546 121 Q N -0.081 119.747 119.800 0.047 0.000 2.084 121 Q HA -0.237 4.103 4.340 0.001 0.000 0.202 121 Q C 2.213 178.216 176.000 0.005 0.000 0.978 121 Q CA 1.544 57.367 55.803 0.033 0.000 0.844 121 Q CB -0.133 28.615 28.738 0.017 0.000 0.898 121 Q HN 0.486 nan 8.270 nan 0.000 0.426 122 Q N 0.044 119.821 119.800 -0.038 0.000 2.061 122 Q HA -0.183 4.158 4.340 0.001 0.000 0.204 122 Q C 2.075 178.053 176.000 -0.037 0.000 0.984 122 Q CA 1.283 57.066 55.803 -0.033 0.000 0.846 122 Q CB -0.106 28.608 28.738 -0.039 0.000 0.902 122 Q HN 0.428 nan 8.270 nan 0.000 0.421 123 I N 0.485 120.997 120.570 -0.096 0.000 2.226 123 I HA -0.287 3.883 4.170 0.001 0.000 0.245 123 I C 2.408 178.522 176.117 -0.004 0.000 1.100 123 I CA 1.002 62.257 61.300 -0.076 0.000 1.374 123 I CB -0.394 37.486 38.000 -0.200 0.000 1.057 123 I HN 0.162 nan 8.210 nan 0.000 0.413 124 A N 0.585 123.427 122.820 0.037 0.000 1.940 124 A HA -0.219 4.102 4.320 0.001 0.000 0.219 124 A C 2.409 180.017 177.584 0.040 0.000 1.176 124 A CA 1.500 53.578 52.037 0.067 0.000 0.631 124 A CB -0.569 18.497 19.000 0.110 0.000 0.814 124 A HN 0.306 nan 8.150 nan 0.000 0.446 125 R N -0.556 119.960 120.500 0.026 0.000 2.070 125 R HA -0.148 4.193 4.340 0.001 0.000 0.233 125 R C 2.061 178.371 176.300 0.016 0.000 1.137 125 R CA 1.851 57.963 56.100 0.020 0.000 0.945 125 R CB -0.286 30.023 30.300 0.015 0.000 0.845 125 R HN 0.678 nan 8.270 nan 0.000 0.430 126 E N -0.286 119.921 120.200 0.012 0.000 2.285 126 E HA -0.084 4.266 4.350 0.001 0.000 0.194 126 E C 1.881 178.485 176.600 0.007 0.000 0.997 126 E CA 0.558 56.964 56.400 0.009 0.000 0.845 126 E CB 0.279 29.985 29.700 0.009 0.000 0.782 126 E HN 0.099 nan 8.360 nan 0.000 0.491 127 V N 0.334 120.251 119.914 0.005 0.000 2.323 127 V HA -0.011 4.110 4.120 0.001 0.000 0.244 127 V C 1.039 177.145 176.094 0.021 0.000 1.041 127 V CA 1.183 63.484 62.300 0.001 0.000 1.025 127 V CB -0.688 31.125 31.823 -0.017 0.000 0.656 127 V HN 0.471 nan 8.190 nan 0.000 0.451 128 G N -0.079 108.737 108.800 0.026 0.000 2.879 128 G HA2 -0.171 3.790 3.960 0.001 0.000 0.686 128 G HA3 -0.171 3.790 3.960 0.001 0.000 0.686 128 G C 0.119 175.040 174.900 0.035 0.000 1.115 128 G CA 0.118 45.235 45.100 0.029 0.000 0.770 128 G HN 0.337 nan 8.290 nan 0.000 0.601 129 E N 0.276 120.495 120.200 0.030 0.000 2.113 129 E HA -0.268 4.082 4.350 0.001 0.000 0.210 129 E C 2.714 179.333 176.600 0.032 0.000 1.040 129 E CA 2.135 58.553 56.400 0.029 0.000 0.847 129 E CB -0.104 29.607 29.700 0.018 0.000 0.755 129 E HN 0.527 nan 8.360 nan 0.000 0.459 130 V N 0.661 120.591 119.914 0.027 0.000 2.233 130 V HA -0.307 3.813 4.120 0.001 0.000 0.247 130 V C 2.315 178.431 176.094 0.036 0.000 1.050 130 V CA 2.139 64.454 62.300 0.024 0.000 1.010 130 V CB -0.460 31.374 31.823 0.018 0.000 0.637 130 V HN 0.228 nan 8.190 nan 0.000 0.444 131 R N -1.192 119.345 120.500 0.062 0.000 2.092 131 R HA -0.140 4.201 4.340 0.001 0.000 0.231 131 R C 2.257 178.657 176.300 0.166 0.000 1.119 131 R CA 1.687 57.863 56.100 0.127 0.000 0.970 131 R CB -0.404 29.994 30.300 0.164 0.000 0.864 131 R HN 0.402 nan 8.270 nan 0.000 0.440 132 M N 0.941 120.597 119.600 0.093 0.000 2.082 132 M HA -0.234 4.247 4.480 0.001 0.000 0.258 132 M C 2.110 178.450 176.300 0.067 0.000 1.069 132 M CA 1.825 57.169 55.300 0.073 0.000 1.102 132 M CB -0.200 32.453 32.600 0.088 0.000 1.336 132 M HN -0.090 nan 8.290 nan 0.000 0.404 133 Q N -0.148 119.683 119.800 0.052 0.000 2.167 133 Q HA -0.157 4.183 4.340 0.001 0.000 0.202 133 Q C 2.041 178.042 176.000 0.001 0.000 0.970 133 Q CA 1.744 57.565 55.803 0.031 0.000 0.855 133 Q CB -0.203 28.547 28.738 0.020 0.000 0.911 133 Q HN 0.561 nan 8.270 nan 0.000 0.438 134 K N -1.294 119.098 120.400 -0.013 0.000 2.062 134 K HA -0.130 4.191 4.320 0.001 0.000 0.205 134 K C 1.576 178.056 176.600 -0.200 0.000 1.051 134 K CA 1.042 57.271 56.287 -0.096 0.000 0.941 134 K CB -0.060 32.368 32.500 -0.119 0.000 0.719 134 K HN 0.269 nan 8.250 nan 0.000 0.440 135 Y N 1.090 121.261 120.300 -0.216 0.000 2.220 135 Y HA -0.094 4.457 4.550 0.001 0.000 0.291 135 Y C 2.030 177.589 175.900 -0.568 0.000 1.129 135 Y CA 0.970 58.791 58.100 -0.465 0.000 1.161 135 Y CB -0.061 38.029 38.460 -0.617 0.000 0.997 135 Y HN -0.032 nan 8.280 nan 0.000 0.522 136 L N -0.249 120.866 121.223 -0.179 0.000 2.187 136 L HA -0.249 4.092 4.340 0.001 0.000 0.213 136 L C 2.376 179.290 176.870 0.073 0.000 1.100 136 L CA 1.149 55.971 54.840 -0.028 0.000 0.765 136 L CB -0.429 41.679 42.059 0.082 0.000 0.904 136 L HN 0.142 nan 8.230 nan 0.000 0.437 137 K N 0.551 120.959 120.400 0.014 0.000 2.057 137 K HA -0.129 4.191 4.320 0.001 0.000 0.206 137 K C 2.088 178.731 176.600 0.072 0.000 1.050 137 K CA 1.262 57.569 56.287 0.033 0.000 0.935 137 K CB 0.002 32.495 32.500 -0.011 0.000 0.715 137 K HN 0.346 nan 8.250 nan 0.000 0.439 138 K N -0.268 120.171 120.400 0.064 0.000 2.031 138 K HA -0.044 4.276 4.320 0.001 0.000 0.205 138 K C 1.877 178.717 176.600 0.400 0.000 1.049 138 K CA 0.986 57.379 56.287 0.176 0.000 0.939 138 K CB -0.142 32.452 32.500 0.157 0.000 0.717 138 K HN -0.009 nan 8.250 nan 0.000 0.438 139 F N 1.413 121.449 119.950 0.143 0.000 2.771 139 F HA 0.035 4.562 4.527 0.001 0.000 0.299 139 F C 1.105 177.043 175.800 0.230 0.000 1.177 139 F CA 0.022 58.163 58.000 0.236 0.000 1.450 139 F CB -0.864 38.310 39.000 0.291 0.000 1.114 139 F HN -0.098 nan 8.300 nan 0.000 0.587 140 S N -0.554 115.339 115.700 0.321 0.000 3.549 140 S HA -0.305 4.166 4.470 0.001 0.000 0.366 140 S C -0.048 174.658 174.600 0.177 0.000 1.012 140 S CA 0.041 58.355 58.200 0.191 0.000 1.141 140 S CB -2.035 61.246 63.200 0.135 0.000 0.910 140 S HN 0.464 nan 8.310 nan 0.000 0.471 141 Y N 1.268 121.605 120.300 0.062 0.000 2.383 141 Y HA 0.482 5.033 4.550 0.001 0.000 0.344 141 Y C 1.151 177.031 175.900 -0.034 0.000 0.986 141 Y CA 1.015 59.080 58.100 -0.059 0.000 1.175 141 Y CB 0.404 38.767 38.460 -0.161 0.000 1.152 141 Y HN 0.550 nan 8.280 nan 0.000 0.511 142 G N 5.062 113.628 108.800 -0.390 0.000 2.611 142 G HA2 -0.473 3.488 3.960 0.001 0.000 0.301 142 G HA3 -0.473 3.488 3.960 0.001 0.000 0.301 142 G C 0.540 175.396 174.900 -0.075 0.000 1.233 142 G CA 0.874 45.828 45.100 -0.243 0.000 0.993 142 G HN 0.987 nan 8.290 nan 0.000 0.553 143 N N 0.417 119.098 118.700 -0.032 0.000 2.282 143 N HA 0.345 5.085 4.740 0.001 0.000 0.185 143 N C 0.727 176.245 175.510 0.014 0.000 1.099 143 N CA 1.142 54.184 53.050 -0.012 0.000 0.878 143 N CB 0.248 38.722 38.487 -0.021 0.000 0.993 143 N HN 1.132 nan 8.380 nan 0.000 0.481 160 R N 4.431 124.923 120.500 -0.012 0.000 2.795 160 R HA 0.726 5.067 4.340 0.001 0.000 0.275 160 R C -1.508 174.771 176.300 -0.034 0.000 0.981 160 R CA -0.801 55.306 56.100 0.013 0.000 0.917 160 R CB 2.695 32.990 30.300 -0.008 0.000 1.202 160 R HN 0.727 nan 8.270 nan 0.000 0.469 161 I N 0.418 120.994 120.570 0.010 0.000 2.827 161 I HA 0.283 4.454 4.170 0.001 0.000 0.298 161 I C -0.482 175.724 176.117 0.147 0.000 1.235 161 I CA -0.432 60.812 61.300 -0.093 0.000 1.021 161 I CB 2.504 40.238 38.000 -0.444 0.000 1.259 161 I HN 0.812 nan 8.210 nan 0.000 0.427 162 S N 4.720 120.476 115.700 0.094 0.000 2.687 162 S HA 0.630 5.101 4.470 0.001 0.000 0.283 162 S C 0.849 175.644 174.600 0.324 0.000 1.170 162 S CA -0.048 58.294 58.200 0.236 0.000 1.008 162 S CB 1.803 65.054 63.200 0.086 0.000 1.026 162 S HN 0.803 nan 8.310 nan 0.000 0.541 163 A N 1.242 124.304 122.820 0.404 0.000 1.902 163 A HA 0.017 4.337 4.320 0.001 0.000 0.217 163 A C 2.098 179.805 177.584 0.205 0.000 1.181 163 A CA 1.576 53.847 52.037 0.391 0.000 0.623 163 A CB -1.372 17.811 19.000 0.305 0.000 0.818 163 A HN 0.794 nan 8.150 nan 0.000 0.443 164 V N 0.666 120.658 119.914 0.130 0.000 2.324 164 V HA -0.332 3.789 4.120 0.001 0.000 0.250 164 V C 2.353 178.471 176.094 0.041 0.000 1.060 164 V CA 2.430 64.771 62.300 0.069 0.000 1.042 164 V CB -1.083 30.766 31.823 0.043 0.000 0.650 164 V HN 0.809 nan 8.190 nan 0.000 0.450 165 N N -1.012 117.707 118.700 0.032 0.000 2.171 165 N HA -0.180 4.560 4.740 0.001 0.000 0.184 165 N C 1.996 177.501 175.510 -0.009 0.000 1.021 165 N CA 0.826 53.865 53.050 -0.019 0.000 0.854 165 N CB 0.023 38.459 38.487 -0.085 0.000 0.994 165 N HN 0.463 nan 8.380 nan 0.000 0.426 166 Q N 0.393 120.192 119.800 -0.001 0.000 2.030 166 Q HA -0.140 4.200 4.340 0.001 0.000 0.204 166 Q C 2.238 178.305 176.000 0.110 0.000 0.986 166 Q CA 1.186 57.017 55.803 0.048 0.000 0.843 166 Q CB -0.587 28.168 28.738 0.028 0.000 0.904 166 Q HN 0.306 nan 8.270 nan 0.000 0.420 167 V N 1.497 121.450 119.914 0.066 0.000 2.392 167 V HA -0.275 3.845 4.120 0.001 0.000 0.249 167 V C 2.042 178.032 176.094 -0.173 0.000 1.059 167 V CA 1.971 64.268 62.300 -0.005 0.000 1.051 167 V CB -0.370 31.477 31.823 0.040 0.000 0.658 167 V HN 0.391 nan 8.190 nan 0.000 0.455 168 E N -1.053 119.082 120.200 -0.108 0.000 2.072 168 E HA -0.200 4.151 4.350 0.001 0.000 0.190 168 E C 2.000 178.511 176.600 -0.148 0.000 0.982 168 E CA 1.412 57.715 56.400 -0.161 0.000 0.803 168 E CB -0.240 29.418 29.700 -0.071 0.000 0.755 168 E HN 0.636 nan 8.360 nan 0.000 0.453 169 F N 1.539 121.396 119.950 -0.156 0.000 2.069 169 F HA -0.193 4.335 4.527 0.001 0.000 0.298 169 F C 1.843 177.525 175.800 -0.195 0.000 1.113 169 F CA 1.415 59.347 58.000 -0.112 0.000 1.214 169 F CB -0.238 38.782 39.000 0.034 0.000 0.978 169 F HN -0.089 nan 8.300 nan 0.000 0.474 170 L N 0.126 121.181 121.223 -0.280 0.000 2.131 170 L HA -0.199 4.142 4.340 0.001 0.000 0.210 170 L C 2.523 178.996 176.870 -0.662 0.000 1.092 170 L CA 1.788 56.378 54.840 -0.418 0.000 0.759 170 L CB -0.829 41.212 42.059 -0.031 0.000 0.903 170 L HN 0.294 nan 8.230 nan 0.000 0.435 171 E N -0.002 119.705 120.200 -0.821 0.000 2.047 171 E HA -0.187 4.163 4.350 0.001 0.000 0.191 171 E C 2.209 178.447 176.600 -0.603 0.000 0.987 171 E CA 1.437 57.142 56.400 -1.159 0.000 0.799 171 E CB 0.122 29.009 29.700 -1.355 0.000 0.752 171 E HN 0.378 nan 8.360 nan 0.000 0.449 172 S N 0.813 116.210 115.700 -0.506 0.000 2.419 172 S HA -0.153 4.318 4.470 0.001 0.000 0.233 172 S C 1.769 176.111 174.600 -0.430 0.000 1.016 172 S CA 0.785 58.754 58.200 -0.385 0.000 0.974 172 S CB -0.218 62.794 63.200 -0.314 0.000 0.786 172 S HN 0.252 nan 8.310 nan 0.000 0.492 173 L N 0.857 121.727 121.223 -0.589 0.000 1.988 173 L HA -0.008 4.333 4.340 0.001 0.000 0.207 173 L C 2.010 178.618 176.870 -0.437 0.000 1.071 173 L CA 1.736 56.236 54.840 -0.566 0.000 0.744 173 L CB -1.123 40.516 42.059 -0.701 0.000 0.893 173 L HN 0.322 nan 8.230 nan 0.000 0.433 174 Y N -0.054 119.839 120.300 -0.679 0.000 2.173 174 Y HA -0.273 4.278 4.550 0.001 0.000 0.282 174 Y C 1.950 177.668 175.900 -0.304 0.000 1.192 174 Y CA 2.150 59.912 58.100 -0.564 0.000 1.176 174 Y CB -0.226 37.869 38.460 -0.607 0.000 0.969 174 Y HN 0.258 nan 8.280 nan 0.000 0.519 175 L N 0.439 121.548 121.223 -0.189 0.000 2.592 175 L HA 0.016 4.357 4.340 0.001 0.000 0.227 175 L C 0.295 177.048 176.870 -0.196 0.000 1.127 175 L CA 0.367 55.104 54.840 -0.172 0.000 0.884 175 L CB -0.278 41.733 42.059 -0.080 0.000 1.065 175 L HN 0.272 nan 8.230 nan 0.000 0.457 176 N N 0.487 119.049 118.700 -0.231 0.000 2.747 176 N HA -0.212 4.529 4.740 0.001 0.000 0.249 176 N C 0.596 176.006 175.510 -0.166 0.000 1.107 176 N CA 0.831 53.764 53.050 -0.196 0.000 0.707 176 N CB -1.038 37.354 38.487 -0.158 0.000 1.054 176 N HN 0.478 nan 8.380 nan 0.000 0.555 177 K N 0.094 120.381 120.400 -0.188 0.000 2.367 177 K HA 0.220 4.541 4.320 0.001 0.000 0.194 177 K C 0.991 177.498 176.600 -0.155 0.000 1.027 177 K CA 0.026 56.224 56.287 -0.148 0.000 1.075 177 K CB 0.495 32.912 32.500 -0.138 0.000 0.845 177 K HN 0.193 nan 8.250 nan 0.000 0.529 178 L N 1.252 122.329 121.223 -0.243 0.000 2.482 178 L HA -0.020 4.321 4.340 0.001 0.000 0.273 178 L C 0.726 177.525 176.870 -0.119 0.000 1.228 178 L CA 0.024 54.682 54.840 -0.303 0.000 0.827 178 L CB 0.433 42.095 42.059 -0.661 0.000 1.099 178 L HN -0.060 nan 8.230 nan 0.000 0.494 179 S N 1.681 117.415 115.700 0.057 0.000 4.051 179 S HA 0.440 4.911 4.470 0.001 0.000 0.215 179 S C -0.028 174.773 174.600 0.336 0.000 1.289 179 S CA -0.208 58.124 58.200 0.219 0.000 0.907 179 S CB -0.700 62.667 63.200 0.279 0.000 1.603 179 S HN 0.596 nan 8.310 nan 0.000 0.453 180 A N 1.648 124.555 122.820 0.145 0.000 2.589 180 A HA 0.659 4.980 4.320 0.001 0.000 0.296 180 A C 0.007 177.618 177.584 0.045 0.000 1.062 180 A CA -0.910 51.215 52.037 0.146 0.000 0.686 180 A CB 0.741 19.821 19.000 0.134 0.000 1.282 180 A HN 0.579 nan 8.150 nan 0.000 0.404 181 S N 1.086 116.815 115.700 0.048 0.000 2.552 181 S HA 0.103 4.574 4.470 0.001 0.000 0.289 181 S C 1.018 175.608 174.600 -0.016 0.000 1.304 181 S CA 0.650 58.859 58.200 0.015 0.000 1.063 181 S CB 0.790 64.002 63.200 0.019 0.000 0.848 181 S HN 1.010 nan 8.310 nan 0.000 0.499 182 K N 2.133 122.515 120.400 -0.031 0.000 2.113 182 K HA -0.252 4.069 4.320 0.001 0.000 0.208 182 K C 2.030 178.605 176.600 -0.042 0.000 1.047 182 K CA 1.972 58.227 56.287 -0.053 0.000 0.928 182 K CB -0.310 32.157 32.500 -0.055 0.000 0.716 182 K HN 0.871 nan 8.250 nan 0.000 0.446 183 E N 0.291 120.476 120.200 -0.025 0.000 2.021 183 E HA -0.268 4.082 4.350 0.001 0.000 0.200 183 E C 1.689 178.279 176.600 -0.016 0.000 1.015 183 E CA 1.831 58.220 56.400 -0.018 0.000 0.824 183 E CB -0.080 29.614 29.700 -0.010 0.000 0.762 183 E HN 0.385 nan 8.360 nan 0.000 0.454 184 N N 0.421 119.116 118.700 -0.009 0.000 2.149 184 N HA -0.170 4.571 4.740 0.001 0.000 0.188 184 N C 1.784 177.290 175.510 -0.006 0.000 1.019 184 N CA 1.196 54.245 53.050 -0.001 0.000 0.857 184 N CB -0.237 38.258 38.487 0.013 0.000 0.997 184 N HN 0.356 nan 8.380 nan 0.000 0.426 185 Q N 0.046 119.827 119.800 -0.032 0.000 2.167 185 Q HA 0.041 4.382 4.340 0.001 0.000 0.202 185 Q C 2.005 177.986 176.000 -0.032 0.000 0.970 185 Q CA 0.628 56.394 55.803 -0.063 0.000 0.855 185 Q CB -0.016 28.648 28.738 -0.125 0.000 0.911 185 Q HN 0.371 nan 8.270 nan 0.000 0.438 186 L N 0.037 121.246 121.223 -0.024 0.000 2.156 186 L HA -0.128 4.212 4.340 0.001 0.000 0.208 186 L C 2.128 179.017 176.870 0.031 0.000 1.095 186 L CA 0.625 55.466 54.840 0.001 0.000 0.770 186 L CB -0.120 41.931 42.059 -0.013 0.000 0.914 186 L HN 0.224 nan 8.230 nan 0.000 0.439 187 I N -1.163 119.417 120.570 0.018 0.000 2.202 187 I HA -0.241 3.930 4.170 0.001 0.000 0.242 187 I C 2.355 178.509 176.117 0.062 0.000 1.091 187 I CA 0.947 62.260 61.300 0.022 0.000 1.368 187 I CB -0.135 37.861 38.000 -0.006 0.000 1.058 187 I HN -0.041 nan 8.210 nan 0.000 0.410 188 V N 0.725 120.684 119.914 0.075 0.000 2.295 188 V HA -0.300 3.821 4.120 0.001 0.000 0.246 188 V C 2.395 178.588 176.094 0.165 0.000 1.049 188 V CA 1.782 64.149 62.300 0.112 0.000 1.024 188 V CB -0.774 31.107 31.823 0.097 0.000 0.648 188 V HN 0.363 nan 8.190 nan 0.000 0.447 189 K N -0.096 120.418 120.400 0.190 0.000 2.059 189 K HA -0.322 3.999 4.320 0.001 0.000 0.212 189 K C 2.227 179.031 176.600 0.340 0.000 1.050 189 K CA 2.309 58.793 56.287 0.329 0.000 0.927 189 K CB -0.226 32.433 32.500 0.264 0.000 0.714 189 K HN 0.560 nan 8.250 nan 0.000 0.447 190 E N 0.270 120.589 120.200 0.200 0.000 2.106 190 E HA -0.141 4.210 4.350 0.001 0.000 0.192 190 E C 1.802 178.455 176.600 0.089 0.000 0.984 190 E CA 0.983 57.461 56.400 0.129 0.000 0.806 190 E CB -0.016 29.733 29.700 0.081 0.000 0.750 190 E HN 0.352 nan 8.360 nan 0.000 0.458 191 A N 0.336 123.219 122.820 0.105 0.000 2.070 191 A HA -0.085 4.236 4.320 0.001 0.000 0.220 191 A C 1.929 179.565 177.584 0.088 0.000 1.159 191 A CA 0.806 52.903 52.037 0.099 0.000 0.656 191 A CB -0.314 18.761 19.000 0.125 0.000 0.800 191 A HN 0.314 nan 8.150 nan 0.000 0.453 192 L N -0.031 121.258 121.223 0.110 0.000 2.567 192 L HA 0.081 4.422 4.340 0.001 0.000 0.225 192 L C -0.021 176.797 176.870 -0.087 0.000 1.119 192 L CA -0.355 54.528 54.840 0.072 0.000 0.871 192 L CB 0.180 42.328 42.059 0.149 0.000 1.036 192 L HN 0.056 nan 8.230 nan 0.000 0.459 193 V N 0.748 120.543 119.914 -0.199 0.000 2.529 193 V HA -0.039 4.081 4.120 0.001 0.000 0.292 193 V C 1.394 177.382 176.094 -0.177 0.000 1.028 193 V CA 1.030 63.079 62.300 -0.418 0.000 1.074 193 V CB 0.753 32.360 31.823 -0.359 0.000 0.958 193 V HN 0.460 nan 8.190 nan 0.000 0.481 194 T N 0.287 114.757 114.554 -0.141 0.000 3.004 194 T HA 0.310 4.661 4.350 0.001 0.000 0.266 194 T C 0.186 174.899 174.700 0.022 0.000 0.986 194 T CA -0.090 62.007 62.100 -0.004 0.000 0.902 194 T CB 0.357 69.286 68.868 0.102 0.000 1.118 194 T HN 0.656 nan 8.240 nan 0.000 0.522 195 E N 0.028 120.222 120.200 -0.011 0.000 2.388 195 E HA 0.575 4.925 4.350 0.001 0.000 0.289 195 E C -2.065 174.515 176.600 -0.033 0.000 0.944 195 E CA -0.676 55.742 56.400 0.029 0.000 0.792 195 E CB 2.029 31.818 29.700 0.149 0.000 1.239 195 E HN 0.349 nan 8.360 nan 0.000 0.412 196 A N 2.462 125.226 122.820 -0.093 0.000 2.356 196 A HA 0.931 5.252 4.320 0.001 0.000 0.310 196 A C -1.173 176.239 177.584 -0.287 0.000 1.075 196 A CA 0.080 52.014 52.037 -0.171 0.000 0.746 196 A CB 1.614 20.544 19.000 -0.115 0.000 1.221 196 A HN 0.592 nan 8.150 nan 0.000 0.443 197 A N 2.992 125.538 122.820 -0.457 0.000 2.556 197 A HA 0.862 5.183 4.320 0.001 0.000 0.294 197 A C -2.462 174.933 177.584 -0.315 0.000 1.091 197 A CA -1.409 50.330 52.037 -0.496 0.000 0.704 197 A CB 0.658 19.056 19.000 -1.003 0.000 1.300 197 A HN 0.424 nan 8.150 nan 0.000 0.406 198 P HA -0.109 nan 4.420 nan 0.000 0.215 198 P C 0.650 177.913 177.300 -0.061 0.000 1.153 198 P CA 1.666 64.710 63.100 -0.093 0.000 0.853 198 P CB 0.268 31.935 31.700 -0.055 0.000 0.788 199 E N -1.523 118.641 120.200 -0.060 0.000 2.158 199 E HA -0.031 4.320 4.350 0.001 0.000 0.191 199 E C 0.486 177.179 176.600 0.156 0.000 0.982 199 E CA 0.805 57.246 56.400 0.069 0.000 0.823 199 E CB -0.514 29.282 29.700 0.160 0.000 0.766 199 E HN 0.493 nan 8.360 nan 0.000 0.468 200 Y N -1.850 118.475 120.300 0.041 0.000 2.615 200 Y HA 0.699 5.250 4.550 0.001 0.000 0.341 200 Y C -1.312 174.613 175.900 0.043 0.000 1.089 200 Y CA -1.993 56.139 58.100 0.054 0.000 1.049 200 Y CB 0.982 39.474 38.460 0.053 0.000 1.296 200 Y HN -0.147 nan 8.280 nan 0.000 0.470 201 L N 2.250 123.619 121.223 0.243 0.000 2.408 201 L HA 0.817 5.158 4.340 0.001 0.000 0.268 201 L C -1.618 175.355 176.870 0.171 0.000 0.986 201 L CA -0.765 54.154 54.840 0.132 0.000 0.820 201 L CB 2.295 44.419 42.059 0.107 0.000 1.303 201 L HN 0.690 nan 8.230 nan 0.000 0.411 202 V N 3.869 123.814 119.914 0.051 0.000 2.448 202 V HA 0.492 4.613 4.120 0.001 0.000 0.295 202 V C -0.678 175.248 176.094 -0.281 0.000 1.025 202 V CA -0.619 61.680 62.300 -0.001 0.000 0.859 202 V CB 1.510 33.410 31.823 0.129 0.000 0.988 202 V HN 0.673 nan 8.190 nan 0.000 0.431 203 H N 3.155 121.889 119.070 -0.560 0.000 2.638 203 H HA 0.619 5.176 4.556 0.001 0.000 0.317 203 H C -0.283 174.690 175.328 -0.592 0.000 1.006 203 H CA -0.344 55.269 56.048 -0.725 0.000 1.222 203 H CB 1.954 30.794 29.762 -1.536 0.000 1.419 203 H HN 0.732 nan 8.280 nan 0.000 0.489 204 S N 2.860 118.451 115.700 -0.181 0.000 2.595 204 S HA 0.620 5.091 4.470 0.001 0.000 0.281 204 S C -0.758 173.857 174.600 0.025 0.000 1.117 204 S CA -1.092 57.012 58.200 -0.159 0.000 0.873 204 S CB 3.285 66.323 63.200 -0.271 0.000 1.108 204 S HN 0.475 nan 8.310 nan 0.000 0.477 205 K N 1.382 121.823 120.400 0.068 0.000 2.507 205 K HA 0.565 4.886 4.320 0.001 0.000 0.251 205 K C -0.246 176.550 176.600 0.326 0.000 0.943 205 K CA -0.201 56.194 56.287 0.181 0.000 0.794 205 K CB 1.626 34.196 32.500 0.117 0.000 1.188 205 K HN 0.955 nan 8.250 nan 0.000 0.428 206 T N -0.164 114.632 114.554 0.403 0.000 2.788 206 T HA 0.807 5.158 4.350 0.001 0.000 0.280 206 T C 0.419 175.354 174.700 0.391 0.000 0.984 206 T CA -0.516 61.869 62.100 0.476 0.000 0.972 206 T CB 1.393 70.488 68.868 0.378 0.000 1.039 206 T HN 0.594 nan 8.240 nan 0.000 0.530 207 G N -0.466 108.617 108.800 0.472 0.000 2.718 207 G HA2 0.576 4.537 3.960 0.001 0.000 0.295 207 G HA3 0.576 4.537 3.960 0.001 0.000 0.295 207 G C -2.126 173.112 174.900 0.563 0.000 1.421 207 G CA -0.768 44.625 45.100 0.488 0.000 0.902 207 G HN 0.720 nan 8.290 nan 0.000 0.501 208 F N 1.813 121.931 119.950 0.279 0.000 3.055 208 F HA 0.386 4.913 4.527 0.001 0.000 0.358 208 F C 0.885 176.795 175.800 0.183 0.000 1.262 208 F CA -0.955 57.170 58.000 0.209 0.000 1.172 208 F CB 1.435 40.533 39.000 0.163 0.000 1.503 208 F HN 0.549 nan 8.300 nan 0.000 0.621 209 S N 2.731 118.377 115.700 -0.090 0.000 2.496 209 S HA 0.596 5.067 4.470 0.001 0.000 0.224 209 S C 0.873 175.215 174.600 -0.430 0.000 0.996 209 S CA 0.474 58.580 58.200 -0.156 0.000 0.927 209 S CB -0.242 62.958 63.200 0.001 0.000 0.774 209 S HN 1.913 nan 8.310 nan 0.000 0.524 210 G N -0.171 108.010 108.800 -1.032 0.000 2.347 210 G HA2 0.200 4.161 3.960 0.001 0.000 0.477 210 G HA3 0.200 4.161 3.960 0.001 0.000 0.477 210 G C -1.226 173.374 174.900 -0.500 0.000 1.349 210 G CA -0.449 44.094 45.100 -0.928 0.000 1.000 210 G HN 0.893 nan 8.290 nan 0.000 0.605 211 V N 1.467 121.306 119.914 -0.125 0.000 2.383 211 V HA 0.773 4.893 4.120 0.001 0.000 0.275 211 V C 1.077 177.194 176.094 0.038 0.000 1.036 211 V CA 1.219 63.579 62.300 0.101 0.000 0.889 211 V CB 0.701 32.648 31.823 0.206 0.000 0.985 211 V HN 1.923 nan 8.190 nan 0.000 0.459 212 G N 4.715 113.542 108.800 0.044 0.000 2.630 212 G HA2 0.491 4.452 3.960 0.001 0.000 0.223 212 G HA3 0.491 4.452 3.960 0.001 0.000 0.223 212 G C 0.565 175.485 174.900 0.034 0.000 1.434 212 G CA 0.369 45.486 45.100 0.029 0.000 1.057 212 G HN 0.896 nan 8.290 nan 0.000 0.570 213 T N -3.161 111.410 114.554 0.028 0.000 2.757 213 T HA 0.394 4.745 4.350 0.001 0.000 0.179 213 T C 1.123 175.838 174.700 0.026 0.000 0.705 213 T CA 0.950 63.065 62.100 0.026 0.000 1.952 213 T CB 0.478 69.359 68.868 0.021 0.000 2.670 213 T HN 0.417 nan 8.240 nan 0.000 0.404 214 E N -0.346 119.868 120.200 0.023 0.000 2.608 214 E HA 0.189 4.540 4.350 0.001 0.000 0.204 214 E C 2.168 178.782 176.600 0.022 0.000 0.884 214 E CA 0.346 56.759 56.400 0.022 0.000 1.533 214 E CB 0.705 30.417 29.700 0.020 0.000 1.559 214 E HN 0.458 nan 8.360 nan 0.000 0.864 215 S N 0.992 116.704 115.700 0.020 0.000 2.362 215 S HA 0.009 4.479 4.470 0.001 0.000 0.221 215 S C 0.830 175.444 174.600 0.024 0.000 1.032 215 S CA 0.637 58.849 58.200 0.020 0.000 0.973 215 S CB -0.172 63.038 63.200 0.017 0.000 0.849 215 S HN 0.083 nan 8.310 nan 0.000 0.465 216 N N 2.656 121.371 118.700 0.025 0.000 2.800 216 N HA 0.329 5.070 4.740 0.001 0.000 0.240 216 N C -2.964 172.564 175.510 0.030 0.000 1.096 216 N CA -1.330 51.737 53.050 0.029 0.000 0.877 216 N CB 1.793 40.294 38.487 0.024 0.000 1.138 216 N HN 0.265 nan 8.380 nan 0.000 0.509 217 P HA 0.215 nan 4.420 nan 0.000 0.276 217 P C 0.216 177.534 177.300 0.030 0.000 1.252 217 P CA -0.233 62.886 63.100 0.031 0.000 0.802 217 P CB 1.025 32.739 31.700 0.023 0.000 1.035 218 G N -0.392 108.426 108.800 0.031 0.000 2.547 218 G HA2 0.469 4.429 3.960 0.001 0.000 0.291 218 G HA3 0.469 4.429 3.960 0.001 0.000 0.291 218 G C -0.951 173.962 174.900 0.021 0.000 1.211 218 G CA -0.510 44.602 45.100 0.020 0.000 0.950 218 G HN 0.457 nan 8.290 nan 0.000 0.504 219 V N -0.566 119.366 119.914 0.030 0.000 2.715 219 V HA 0.808 4.929 4.120 0.001 0.000 0.310 219 V C -0.105 176.071 176.094 0.136 0.000 1.054 219 V CA -0.362 61.914 62.300 -0.039 0.000 0.928 219 V CB 1.747 33.492 31.823 -0.129 0.000 1.007 219 V HN 1.227 nan 8.190 nan 0.000 0.437 220 A N 4.936 127.786 122.820 0.050 0.000 2.371 220 A HA 0.836 5.157 4.320 0.001 0.000 0.311 220 A C -1.683 175.995 177.584 0.157 0.000 1.068 220 A CA -0.548 51.638 52.037 0.248 0.000 0.744 220 A CB 0.980 20.131 19.000 0.251 0.000 1.239 220 A HN 0.834 nan 8.150 nan 0.000 0.435 221 W N 0.212 121.731 121.300 0.366 0.000 2.719 221 W HA 0.684 5.346 4.660 0.002 0.000 0.352 221 W C -0.841 176.023 176.519 0.576 0.000 1.085 221 W CA 0.050 57.664 57.345 0.449 0.000 1.187 221 W CB 1.698 31.370 29.460 0.353 0.000 1.417 221 W HN 0.693 nan 8.180 nan 0.000 0.557 222 W N 3.903 125.635 121.300 0.720 0.000 2.740 222 W HA 0.527 5.187 4.660 0.001 0.000 0.316 222 W C -1.510 175.452 176.519 0.737 0.000 1.020 222 W CA -1.405 56.275 57.345 0.557 0.000 1.278 222 W CB 0.649 30.296 29.460 0.311 0.000 1.224 222 W HN 0.284 nan 8.180 nan 0.000 0.393 223 V N 4.171 124.304 119.914 0.366 0.000 2.960 223 V HA 1.097 5.218 4.120 0.001 0.000 0.315 223 V C 0.054 175.919 176.094 -0.381 0.000 1.087 223 V CA -0.055 62.314 62.300 0.114 0.000 0.982 223 V CB 1.307 33.238 31.823 0.179 0.000 1.039 223 V HN 1.199 nan 8.190 nan 0.000 0.437 224 G N 1.723 109.985 108.800 -0.896 0.000 2.350 224 G HA2 0.420 4.381 3.960 0.001 0.000 0.276 224 G HA3 0.420 4.381 3.960 0.001 0.000 0.276 224 G C -1.758 172.531 174.900 -1.019 0.000 1.313 224 G CA -0.124 44.493 45.100 -0.804 0.000 0.903 224 G HN 2.337 nan 8.290 nan 0.000 0.490 225 W N -0.894 120.021 121.300 -0.642 0.000 3.296 225 W HA 0.735 5.396 4.660 0.001 0.000 0.314 225 W C -1.497 175.017 176.519 -0.009 0.000 1.238 225 W CA -1.392 55.741 57.345 -0.353 0.000 1.193 225 W CB 1.319 30.516 29.460 -0.437 0.000 1.383 225 W HN 0.566 nan 8.180 nan 0.000 0.545 226 V N 2.739 122.756 119.914 0.171 0.000 2.448 226 V HA 0.323 4.444 4.120 0.001 0.000 0.295 226 V C -0.422 175.787 176.094 0.192 0.000 1.025 226 V CA -0.925 61.487 62.300 0.188 0.000 0.859 226 V CB 1.517 33.474 31.823 0.222 0.000 0.988 226 V HN 0.628 nan 8.190 nan 0.000 0.431 227 E N 4.318 124.645 120.200 0.213 0.000 2.035 227 E HA 0.335 4.686 4.350 0.001 0.000 0.271 227 E C -0.489 176.250 176.600 0.233 0.000 0.953 227 E CA -0.395 56.129 56.400 0.207 0.000 0.777 227 E CB 1.422 31.282 29.700 0.267 0.000 1.104 227 E HN 0.412 nan 8.360 nan 0.000 0.408 228 K N 4.187 124.725 120.400 0.229 0.000 2.244 228 K HA 0.104 4.425 4.320 0.001 0.000 0.260 228 K C 0.138 176.844 176.600 0.175 0.000 0.951 228 K CA -0.317 56.114 56.287 0.239 0.000 0.826 228 K CB 0.860 33.518 32.500 0.263 0.000 1.108 228 K HN 0.416 nan 8.250 nan 0.000 0.433 229 E N 0.410 120.700 120.200 0.151 0.000 3.439 229 E HA -0.315 4.036 4.350 0.001 0.000 0.385 229 E C 0.832 177.486 176.600 0.090 0.000 1.557 229 E CA 2.480 58.945 56.400 0.108 0.000 1.684 229 E CB -1.445 28.314 29.700 0.099 0.000 1.677 229 E HN 0.874 nan 8.360 nan 0.000 0.455 230 T N -1.165 113.430 114.554 0.068 0.000 3.086 230 T HA 0.288 4.639 4.350 0.001 0.000 0.250 230 T C 0.593 175.304 174.700 0.018 0.000 1.074 230 T CA 0.793 62.922 62.100 0.050 0.000 0.988 230 T CB 0.379 69.271 68.868 0.040 0.000 0.988 230 T HN 0.222 nan 8.240 nan 0.000 0.530 231 E N 0.930 121.128 120.200 -0.004 0.000 2.239 231 E HA 0.635 4.986 4.350 0.001 0.000 0.261 231 E C -1.182 175.299 176.600 -0.198 0.000 1.016 231 E CA -0.948 55.368 56.400 -0.139 0.000 0.882 231 E CB 2.000 31.573 29.700 -0.211 0.000 1.190 231 E HN 0.113 nan 8.360 nan 0.000 0.415 232 V N 2.807 122.450 119.914 -0.452 0.000 2.888 232 V HA 0.590 4.710 4.120 0.001 0.000 0.309 232 V C -1.989 173.647 176.094 -0.763 0.000 1.114 232 V CA -0.499 61.510 62.300 -0.485 0.000 0.940 232 V CB 1.265 32.752 31.823 -0.561 0.000 1.021 232 V HN 0.685 nan 8.190 nan 0.000 0.426 233 Y N 5.409 125.504 120.300 -0.342 0.000 2.361 233 Y HA 0.699 5.250 4.550 0.001 0.000 0.337 233 Y C -0.426 175.317 175.900 -0.262 0.000 0.965 233 Y CA -0.676 57.303 58.100 -0.202 0.000 1.091 233 Y CB 1.866 40.343 38.460 0.029 0.000 1.182 233 Y HN 0.611 nan 8.280 nan 0.000 0.450 234 F N 4.091 124.155 119.950 0.190 0.000 2.397 234 F HA 0.639 5.167 4.527 0.001 0.000 0.331 234 F C -0.352 175.540 175.800 0.153 0.000 1.090 234 F CA -1.166 56.886 58.000 0.086 0.000 1.065 234 F CB 0.956 39.923 39.000 -0.054 0.000 1.184 234 F HN 0.332 nan 8.300 nan 0.000 0.499 235 F N 0.174 120.259 119.950 0.225 0.000 2.615 235 F HA 0.862 5.390 4.527 0.001 0.000 0.312 235 F C -1.302 174.582 175.800 0.139 0.000 1.119 235 F CA -1.438 56.587 58.000 0.041 0.000 0.979 235 F CB 0.973 40.011 39.000 0.064 0.000 1.266 235 F HN 0.600 nan 8.300 nan 0.000 0.444 236 A N 3.692 126.700 122.820 0.313 0.000 2.343 236 A HA 0.795 5.116 4.320 0.001 0.000 0.316 236 A C -2.176 175.802 177.584 0.657 0.000 1.104 236 A CA -0.618 51.721 52.037 0.503 0.000 0.768 236 A CB 1.114 20.378 19.000 0.440 0.000 1.213 236 A HN 0.915 nan 8.150 nan 0.000 0.456 237 F N 3.606 123.972 119.950 0.694 0.000 2.493 237 F HA 0.618 5.146 4.527 0.001 0.000 0.329 237 F C -0.394 175.583 175.800 0.295 0.000 1.126 237 F CA -0.774 57.585 58.000 0.599 0.000 0.937 237 F CB 1.701 41.120 39.000 0.699 0.000 1.146 237 F HN 0.735 nan 8.300 nan 0.000 0.442 238 N N 5.701 124.060 118.700 -0.569 0.000 2.380 238 N HA 0.775 5.515 4.740 0.001 0.000 0.290 238 N C -1.412 173.528 175.510 -0.951 0.000 1.236 238 N CA -0.887 51.614 53.050 -0.916 0.000 0.780 238 N CB 2.034 39.500 38.487 -1.702 0.000 1.438 238 N HN 0.708 nan 8.380 nan 0.000 0.491 239 M N -1.735 117.521 119.600 -0.572 0.000 2.465 239 M HA 0.535 5.016 4.480 0.001 0.000 0.284 239 M C -1.987 174.169 176.300 -0.241 0.000 1.212 239 M CA -0.893 54.215 55.300 -0.319 0.000 0.910 239 M CB 1.992 34.603 32.600 0.018 0.000 1.725 239 M HN 0.184 nan 8.290 nan 0.000 0.477 240 D N 2.478 122.774 120.400 -0.174 0.000 2.414 240 D HA 0.409 5.049 4.640 0.001 0.000 0.242 240 D C -0.981 175.321 176.300 0.002 0.000 1.129 240 D CA 0.415 54.361 54.000 -0.089 0.000 0.885 240 D CB 1.405 42.177 40.800 -0.046 0.000 1.198 240 D HN 0.677 nan 8.370 nan 0.000 0.437 241 I N 1.331 121.929 120.570 0.046 0.000 2.448 241 I HA 0.118 4.289 4.170 0.001 0.000 0.281 241 I C -0.009 176.163 176.117 0.092 0.000 1.027 241 I CA -0.445 60.916 61.300 0.101 0.000 1.111 241 I CB 0.960 39.088 38.000 0.213 0.000 1.236 241 I HN 0.273 nan 8.210 nan 0.000 0.452 242 D N 5.205 125.644 120.400 0.065 0.000 2.323 242 D HA -0.002 4.639 4.640 0.001 0.000 0.218 242 D C 0.404 176.738 176.300 0.056 0.000 0.973 242 D CA 0.182 54.214 54.000 0.053 0.000 0.890 242 D CB 0.127 40.949 40.800 0.036 0.000 1.011 242 D HN 0.377 nan 8.370 nan 0.000 0.499 243 N N 0.436 119.168 118.700 0.052 0.000 2.354 243 N HA 0.047 4.788 4.740 0.001 0.000 0.287 243 N C 0.075 175.610 175.510 0.042 0.000 1.016 243 N CA -0.225 52.850 53.050 0.042 0.000 0.871 243 N CB 1.903 40.403 38.487 0.021 0.000 1.299 243 N HN -0.044 nan 8.380 nan 0.000 0.482 244 E N 0.957 121.186 120.200 0.048 0.000 2.171 244 E HA -0.174 4.177 4.350 0.001 0.000 0.197 244 E C 1.309 177.882 176.600 -0.044 0.000 0.997 244 E CA 1.670 58.088 56.400 0.029 0.000 0.810 244 E CB 0.055 29.780 29.700 0.043 0.000 0.738 244 E HN 0.747 nan 8.360 nan 0.000 0.467 245 S N 0.316 115.994 115.700 -0.036 0.000 2.660 245 S HA 0.055 4.526 4.470 0.001 0.000 0.223 245 S C 1.304 175.861 174.600 -0.072 0.000 0.963 245 S CA 0.247 58.412 58.200 -0.059 0.000 0.932 245 S CB 0.156 63.329 63.200 -0.045 0.000 0.775 245 S HN 0.057 nan 8.310 nan 0.000 0.531 246 K N 0.471 120.834 120.400 -0.063 0.000 2.374 246 K HA 0.308 4.629 4.320 0.001 0.000 0.196 246 K C 1.400 177.941 176.600 -0.097 0.000 1.023 246 K CA -0.146 56.102 56.287 -0.065 0.000 1.103 246 K CB -0.322 32.164 32.500 -0.022 0.000 0.848 246 K HN 0.303 nan 8.250 nan 0.000 0.528 247 L N 2.604 123.743 121.223 -0.141 0.000 2.043 247 L HA -0.127 4.214 4.340 0.001 0.000 0.212 247 L C -1.083 175.655 176.870 -0.218 0.000 1.075 247 L CA 2.005 56.718 54.840 -0.211 0.000 0.752 247 L CB -1.194 40.650 42.059 -0.358 0.000 0.891 247 L HN 0.034 nan 8.230 nan 0.000 0.432 248 P HA -0.159 nan 4.420 nan 0.000 0.218 248 P C 1.963 179.068 177.300 -0.326 0.000 1.148 248 P CA 1.272 64.215 63.100 -0.262 0.000 0.822 248 P CB -0.116 31.452 31.700 -0.221 0.000 0.784 249 L N -0.224 120.831 121.223 -0.279 0.000 2.349 249 L HA -0.164 4.177 4.340 0.001 0.000 0.220 249 L C 2.562 179.107 176.870 -0.541 0.000 1.130 249 L CA 1.134 55.770 54.840 -0.340 0.000 0.791 249 L CB -0.952 40.978 42.059 -0.216 0.000 0.918 249 L HN 0.087 nan 8.230 nan 0.000 0.444 250 R N 0.447 120.660 120.500 -0.480 0.000 2.237 250 R HA -0.139 4.201 4.340 0.001 0.000 0.219 250 R C 1.674 177.440 176.300 -0.891 0.000 1.080 250 R CA 1.175 56.865 56.100 -0.682 0.000 0.995 250 R CB -0.161 30.060 30.300 -0.132 0.000 0.875 250 R HN 0.353 nan 8.270 nan 0.000 0.462 251 K N 0.368 120.241 120.400 -0.879 0.000 2.367 251 K HA 0.070 4.391 4.320 0.001 0.000 0.198 251 K C 2.171 178.270 176.600 -0.835 0.000 1.132 251 K CA 0.722 56.304 56.287 -1.175 0.000 0.941 251 K CB 0.556 32.293 32.500 -1.271 0.000 1.052 251 K HN 0.216 nan 8.250 nan 0.000 0.507 252 S N 1.500 116.816 115.700 -0.639 0.000 2.355 252 S HA -0.110 4.361 4.470 0.001 0.000 0.222 252 S C 2.072 176.362 174.600 -0.516 0.000 1.031 252 S CA 0.839 58.743 58.200 -0.492 0.000 0.993 252 S CB -0.559 62.414 63.200 -0.379 0.000 0.859 252 S HN 0.138 nan 8.310 nan 0.000 0.453 253 I N 2.750 122.955 120.570 -0.609 0.000 2.099 253 I HA -0.083 4.088 4.170 0.001 0.000 0.239 253 I C -0.686 174.982 176.117 -0.748 0.000 1.066 253 I CA 1.254 62.163 61.300 -0.651 0.000 1.324 253 I CB -1.481 36.076 38.000 -0.739 0.000 1.037 253 I HN 0.262 nan 8.210 nan 0.000 0.401 254 P HA -0.134 nan 4.420 nan 0.000 0.216 254 P C 1.661 178.501 177.300 -0.766 0.000 1.150 254 P CA 1.616 64.040 63.100 -1.127 0.000 0.837 254 P CB -0.150 31.188 31.700 -0.603 0.000 0.786 255 T N -0.262 113.982 114.554 -0.516 0.000 2.708 255 T HA -0.150 4.201 4.350 0.001 0.000 0.266 255 T C 1.665 176.137 174.700 -0.379 0.000 1.037 255 T CA 1.388 63.260 62.100 -0.379 0.000 1.146 255 T CB -0.549 68.113 68.868 -0.343 0.000 0.865 255 T HN 0.234 nan 8.240 nan 0.000 0.435 256 K N 0.373 120.535 120.400 -0.397 0.000 2.147 256 K HA 0.034 4.354 4.320 0.001 0.000 0.205 256 K C 2.200 178.591 176.600 -0.348 0.000 1.049 256 K CA 0.985 57.077 56.287 -0.325 0.000 0.936 256 K CB -0.256 32.068 32.500 -0.294 0.000 0.722 256 K HN 0.362 nan 8.250 nan 0.000 0.446 257 I N 0.769 121.038 120.570 -0.503 0.000 2.233 257 I HA -0.261 3.910 4.170 0.001 0.000 0.243 257 I C 2.368 178.213 176.117 -0.453 0.000 1.093 257 I CA 1.224 62.160 61.300 -0.608 0.000 1.380 257 I CB -0.140 37.280 38.000 -0.967 0.000 1.067 257 I HN 0.163 nan 8.210 nan 0.000 0.413 258 M N -0.156 119.199 119.600 -0.409 0.000 2.229 258 M HA -0.212 4.269 4.480 0.001 0.000 0.264 258 M C 2.129 178.269 176.300 -0.266 0.000 1.063 258 M CA 1.601 56.724 55.300 -0.296 0.000 1.114 258 M CB -0.514 31.913 32.600 -0.288 0.000 1.387 258 M HN 0.186 nan 8.290 nan 0.000 0.420 259 E N 0.611 120.658 120.200 -0.256 0.000 2.058 259 E HA -0.207 4.144 4.350 0.001 0.000 0.194 259 E C 2.004 178.519 176.600 -0.141 0.000 0.997 259 E CA 1.937 58.218 56.400 -0.198 0.000 0.801 259 E CB 0.019 29.604 29.700 -0.191 0.000 0.746 259 E HN 0.509 nan 8.360 nan 0.000 0.450 260 S N 0.149 115.772 115.700 -0.129 0.000 2.507 260 S HA -0.093 4.378 4.470 0.001 0.000 0.235 260 S C 1.140 175.739 174.600 -0.001 0.000 0.988 260 S CA 0.729 58.900 58.200 -0.048 0.000 0.944 260 S CB 0.036 63.228 63.200 -0.012 0.000 0.762 260 S HN 0.179 nan 8.310 nan 0.000 0.526 261 E N 0.583 120.758 120.200 -0.041 0.000 2.501 261 E HA 0.254 4.605 4.350 0.001 0.000 0.200 261 E C 1.107 177.669 176.600 -0.063 0.000 1.016 261 E CA 0.309 56.705 56.400 -0.006 0.000 0.921 261 E CB 0.097 29.803 29.700 0.010 0.000 1.034 261 E HN 0.634 nan 8.360 nan 0.000 0.468 262 G N 2.033 110.785 108.800 -0.080 0.000 2.203 262 G HA2 -0.318 3.642 3.960 0.001 0.000 0.263 262 G HA3 -0.318 3.642 3.960 0.001 0.000 0.263 262 G C 0.964 175.792 174.900 -0.120 0.000 1.012 262 G CA 0.699 45.755 45.100 -0.072 0.000 0.749 262 G HN 0.386 nan 8.290 nan 0.000 0.512 263 I N -0.024 120.400 120.570 -0.243 0.000 2.333 263 I HA 0.140 4.310 4.170 0.001 0.000 0.246 263 I C 1.833 177.783 176.117 -0.278 0.000 1.106 263 I CA 1.494 62.588 61.300 -0.342 0.000 1.411 263 I CB -0.182 37.453 38.000 -0.607 0.000 1.082 263 I HN 0.528 nan 8.210 nan 0.000 0.420 264 I N 0.000 120.390 120.570 -0.301 0.000 2.984 264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 264 I CA 0.000 61.073 61.300 -0.378 0.000 1.566 264 I CB 0.000 37.701 38.000 -0.499 0.000 1.214 264 I HN 0.000 nan 8.210 nan 0.000 0.494