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 3a0h_1_c DATA FIRST_RESID 5027 DATA SEQUENCE DQESSGFAWW AGNARLINLS GKLLGAHVAH AGLIVFWAGA MTLFELAHFI DATA SEQUENCE PEKPMYEQGL ILIPHIATLG WGVGPGGEVV DTFPFFVVGV VHLISSAVLG DATA SEQUENCE FGGVYHAIRG PETLEEYSSF FGYDWKDKNK MTTILGFHLI VLGIGALLLV DATA SEQUENCE AKAMFFGGLY DTWAPGGGDV RVITNPTLDP RVIFGYLLKS PFGGEGWIVS DATA SEQUENCE VNNLEDVVGG HIWIGLICIA GGIWHILTTP FGWARRAFIW SGEAYLSYSL DATA SEQUENCE GALSMMGFIA TCFVWFNNTV YPSEFYGPTG PEASQAQAMT FLIRDQKLGA DATA SEQUENCE NVGSAQGPTG LGKYLMRSPT GEIIFGGETM RFWDFRGPWL EPLRGPNGLD DATA SEQUENCE LNKIKNDIQP WQERRAAEYM THAPLGSLNS VGGVATEINS VNFVSPRSWL DATA SEQUENCE ATSHFVLAFF FLVGHLWHAG RARAAAAGFE KGIDRESEPV LSMPSLD 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 5027 D HA 0.000 nan 4.640 nan 0.000 0.175 5027 D C 0.000 176.310 176.300 0.016 0.000 2.045 5027 D CA 0.000 54.012 54.000 0.021 0.000 0.868 5027 D CB 0.000 40.815 40.800 0.025 0.000 0.688 5028 Q N 0.724 120.535 119.800 0.019 0.000 2.286 5028 Q HA 0.341 4.688 4.340 0.011 0.000 0.169 5028 Q C 1.169 177.183 176.000 0.023 0.000 1.082 5028 Q CA -0.337 55.476 55.803 0.017 0.000 1.101 5028 Q CB 0.327 29.075 28.738 0.016 0.000 1.877 5028 Q HN 0.433 nan 8.270 nan 0.000 0.561 5029 E N 0.229 120.444 120.200 0.024 0.000 1.997 5029 E HA -0.051 4.306 4.350 0.011 0.000 0.196 5029 E C 0.034 176.650 176.600 0.027 0.000 0.990 5029 E CA 0.546 56.963 56.400 0.029 0.000 0.845 5029 E CB -0.570 29.150 29.700 0.032 0.000 0.795 5029 E HN 0.392 nan 8.360 nan 0.000 0.479 5030 S N -0.153 115.560 115.700 0.021 0.000 2.561 5030 S HA -0.023 4.453 4.470 0.011 0.000 0.294 5030 S C 0.344 174.953 174.600 0.015 0.000 1.294 5030 S CA 1.169 59.376 58.200 0.012 0.000 1.055 5030 S CB -0.057 63.149 63.200 0.011 0.000 0.819 5030 S HN 0.434 nan 8.310 nan 0.000 0.503 5031 S N 1.141 116.844 115.700 0.005 0.000 3.576 5031 S HA -0.096 4.381 4.470 0.011 0.000 0.294 5031 S C 0.037 174.665 174.600 0.047 0.000 1.224 5031 S CA 0.797 59.005 58.200 0.013 0.000 0.866 5031 S CB -1.497 61.715 63.200 0.020 0.000 1.017 5031 S HN 1.372 nan 8.310 nan 0.000 0.597 5032 G N -0.884 107.948 108.800 0.053 0.000 2.731 5032 G HA2 0.701 4.668 3.960 0.011 0.000 0.309 5032 G HA3 0.701 4.668 3.960 0.011 0.000 0.309 5032 G C -0.967 174.030 174.900 0.163 0.000 1.273 5032 G CA -0.610 44.601 45.100 0.186 0.000 0.798 5032 G HN 0.152 nan 8.290 nan 0.000 0.509 5033 F N 0.275 120.124 119.950 -0.169 0.000 2.456 5033 F HA 0.831 5.364 4.527 0.010 0.000 0.364 5033 F C 1.205 176.809 175.800 -0.327 0.000 1.092 5033 F CA -0.429 57.411 58.000 -0.266 0.000 1.125 5033 F CB 0.415 39.184 39.000 -0.386 0.000 1.543 5033 F HN 0.619 nan 8.300 nan 0.000 0.504 5034 A N 0.780 123.375 122.820 -0.375 0.000 2.275 5034 A HA 0.241 4.568 4.320 0.011 0.000 0.282 5034 A C 0.902 178.155 177.584 -0.553 0.000 1.275 5034 A CA -0.141 51.627 52.037 -0.447 0.000 0.842 5034 A CB -0.380 18.312 19.000 -0.513 0.000 1.280 5034 A HN 0.918 nan 8.150 nan 0.000 0.508 5035 W N -0.227 120.821 121.300 -0.421 0.000 2.409 5035 W HA -0.129 4.538 4.660 0.013 0.000 0.299 5035 W C 1.791 178.130 176.519 -0.300 0.000 1.203 5035 W CA 1.400 58.586 57.345 -0.265 0.000 1.298 5035 W CB -1.077 28.341 29.460 -0.070 0.000 1.127 5035 W HN 0.853 nan 8.180 nan 0.000 0.528 5036 W N 1.272 121.986 121.300 -0.977 0.000 2.392 5036 W HA 0.211 4.879 4.660 0.013 0.000 0.279 5036 W C 1.373 177.693 176.519 -0.331 0.000 1.225 5036 W CA 1.133 57.944 57.345 -0.891 0.000 1.233 5036 W CB -1.561 27.207 29.460 -1.154 0.000 1.122 5036 W HN 0.004 nan 8.180 nan 0.000 0.561 5037 A N 1.648 123.837 122.820 -1.053 0.000 2.684 5037 A HA 0.485 4.812 4.320 0.011 0.000 0.288 5037 A C 1.942 179.214 177.584 -0.520 0.000 1.337 5037 A CA 0.382 52.025 52.037 -0.657 0.000 0.946 5037 A CB -1.027 17.400 19.000 -0.956 0.000 1.093 5037 A HN 0.249 nan 8.150 nan 0.000 0.543 5038 G N 1.628 110.221 108.800 -0.346 0.000 2.672 5038 G HA2 -0.366 3.601 3.960 0.011 0.000 0.218 5038 G HA3 -0.366 3.601 3.960 0.011 0.000 0.218 5038 G C 1.172 175.905 174.900 -0.277 0.000 1.238 5038 G CA 1.394 46.359 45.100 -0.224 0.000 0.791 5038 G HN 0.736 nan 8.290 nan 0.000 0.606 5039 N N 1.325 119.880 118.700 -0.243 0.000 2.659 5039 N HA 0.041 4.788 4.740 0.011 0.000 0.194 5039 N C 2.165 177.446 175.510 -0.383 0.000 1.140 5039 N CA 0.338 53.236 53.050 -0.253 0.000 0.936 5039 N CB -0.078 38.293 38.487 -0.193 0.000 0.970 5039 N HN 0.424 nan 8.380 nan 0.000 0.449 5040 A N 1.279 123.711 122.820 -0.647 0.000 1.929 5040 A HA -0.018 4.309 4.320 0.011 0.000 0.216 5040 A C 2.062 179.135 177.584 -0.852 0.000 1.176 5040 A CA 0.744 52.132 52.037 -1.081 0.000 0.628 5040 A CB -0.115 17.447 19.000 -2.398 0.000 0.816 5040 A HN 0.170 nan 8.150 nan 0.000 0.444 5041 R N -0.603 119.552 120.500 -0.576 0.000 2.357 5041 R HA 0.137 4.484 4.340 0.011 0.000 0.202 5041 R C 1.293 177.525 176.300 -0.113 0.000 1.047 5041 R CA 0.231 56.209 56.100 -0.203 0.000 1.034 5041 R CB -0.157 30.093 30.300 -0.084 0.000 0.875 5041 R HN 0.445 nan 8.270 nan 0.000 0.473 5042 L N 0.436 121.568 121.223 -0.152 0.000 2.607 5042 L HA 0.135 4.482 4.340 0.011 0.000 0.228 5042 L C 1.172 178.062 176.870 0.033 0.000 1.123 5042 L CA 0.418 55.232 54.840 -0.043 0.000 0.890 5042 L CB 0.256 42.280 42.059 -0.059 0.000 1.103 5042 L HN 0.235 nan 8.230 nan 0.000 0.468 5043 I N 0.284 120.820 120.570 -0.057 0.000 3.861 5043 I HA 0.033 4.210 4.170 0.011 0.000 0.329 5043 I C 0.214 176.376 176.117 0.075 0.000 1.321 5043 I CA 0.147 61.428 61.300 -0.031 0.000 1.126 5043 I CB 0.033 37.885 38.000 -0.246 0.000 1.018 5043 I HN 0.243 nan 8.210 nan 0.000 0.407 5044 N N 1.654 120.416 118.700 0.103 0.000 2.372 5044 N HA 0.283 5.030 4.740 0.011 0.000 0.291 5044 N C 0.385 175.988 175.510 0.155 0.000 1.024 5044 N CA -0.279 52.844 53.050 0.122 0.000 0.873 5044 N CB 2.113 40.655 38.487 0.093 0.000 1.206 5044 N HN 0.156 nan 8.380 nan 0.000 0.486 5045 L N 0.720 122.039 121.223 0.161 0.000 7.140 5045 L HA -0.311 4.036 4.340 0.011 0.000 0.053 5045 L C -0.364 176.653 176.870 0.244 0.000 1.700 5045 L CA 0.881 55.819 54.840 0.164 0.000 1.567 5045 L CB -1.326 40.805 42.059 0.120 0.000 2.821 5045 L HN 0.539 nan 8.230 nan 0.000 1.118 5046 S N -0.782 115.054 115.700 0.227 0.000 2.472 5046 S HA 0.578 5.055 4.470 0.011 0.000 0.303 5046 S C 0.037 174.779 174.600 0.236 0.000 1.099 5046 S CA 0.057 58.454 58.200 0.328 0.000 1.077 5046 S CB 1.468 64.809 63.200 0.235 0.000 1.031 5046 S HN 0.809 nan 8.310 nan 0.000 0.487 5047 G N 2.727 111.695 108.800 0.280 0.000 2.305 5047 G HA2 0.081 4.048 3.960 0.011 0.000 0.243 5047 G HA3 0.081 4.048 3.960 0.011 0.000 0.243 5047 G C 0.934 175.818 174.900 -0.026 0.000 1.288 5047 G CA -0.192 44.990 45.100 0.137 0.000 0.901 5047 G HN 0.881 nan 8.290 nan 0.000 0.516 5048 K N 1.153 121.554 120.400 0.001 0.000 2.097 5048 K HA -0.069 4.258 4.320 0.011 0.000 0.206 5048 K C 0.658 177.209 176.600 -0.081 0.000 1.049 5048 K CA 0.652 56.919 56.287 -0.033 0.000 0.933 5048 K CB -0.364 32.124 32.500 -0.020 0.000 0.717 5048 K HN 0.366 nan 8.250 nan 0.000 0.442 5049 L N 0.339 121.518 121.223 -0.074 0.000 2.376 5049 L HA 0.314 4.660 4.340 0.011 0.000 0.275 5049 L C 0.638 177.459 176.870 -0.082 0.000 0.987 5049 L CA -1.114 53.668 54.840 -0.096 0.000 0.828 5049 L CB 0.763 42.779 42.059 -0.071 0.000 1.249 5049 L HN 0.123 nan 8.230 nan 0.000 0.409 5050 L N 2.928 124.041 121.223 -0.183 0.000 2.083 5050 L HA 0.039 4.386 4.340 0.011 0.000 0.209 5050 L C 1.947 178.793 176.870 -0.039 0.000 1.083 5050 L CA 1.950 56.717 54.840 -0.122 0.000 0.752 5050 L CB -0.347 41.529 42.059 -0.304 0.000 0.899 5050 L HN 0.816 nan 8.230 nan 0.000 0.433 5051 G N 0.129 108.858 108.800 -0.120 0.000 2.545 5051 G HA2 -0.424 3.543 3.960 0.011 0.000 0.222 5051 G HA3 -0.424 3.543 3.960 0.011 0.000 0.222 5051 G C 1.649 176.546 174.900 -0.005 0.000 1.126 5051 G CA 1.444 46.534 45.100 -0.017 0.000 0.754 5051 G HN 0.694 nan 8.290 nan 0.000 0.583 5052 A N 0.956 123.749 122.820 -0.045 0.000 1.859 5052 A HA -0.232 4.095 4.320 0.011 0.000 0.218 5052 A C 2.052 179.537 177.584 -0.164 0.000 1.209 5052 A CA 2.316 54.283 52.037 -0.117 0.000 0.639 5052 A CB -1.138 17.733 19.000 -0.215 0.000 0.835 5052 A HN 0.541 nan 8.150 nan 0.000 0.450 5053 H N -1.147 117.832 119.070 -0.152 0.000 2.357 5053 H HA -0.114 4.448 4.556 0.011 0.000 0.296 5053 H C 2.027 177.264 175.328 -0.153 0.000 1.108 5053 H CA 1.815 57.723 56.048 -0.234 0.000 1.273 5053 H CB -0.329 29.366 29.762 -0.112 0.000 1.367 5053 H HN 0.256 nan 8.280 nan 0.000 0.498 5054 V N 0.497 120.460 119.914 0.082 0.000 2.323 5054 V HA -0.231 3.896 4.120 0.011 0.000 0.244 5054 V C 2.603 178.769 176.094 0.120 0.000 1.041 5054 V CA 1.269 63.630 62.300 0.100 0.000 1.025 5054 V CB -1.084 30.789 31.823 0.083 0.000 0.656 5054 V HN 0.615 nan 8.190 nan 0.000 0.451 5055 A N 0.853 123.723 122.820 0.084 0.000 1.893 5055 A HA -0.385 3.942 4.320 0.011 0.000 0.222 5055 A C 2.182 179.868 177.584 0.170 0.000 1.309 5055 A CA 2.909 55.006 52.037 0.100 0.000 0.681 5055 A CB -1.290 17.740 19.000 0.049 0.000 0.842 5055 A HN 0.912 nan 8.150 nan 0.000 0.468 5056 H N -2.125 116.989 119.070 0.073 0.000 2.482 5056 H HA 0.414 4.976 4.556 0.011 0.000 0.286 5056 H C 1.839 177.237 175.328 0.117 0.000 1.017 5056 H CA 0.729 56.830 56.048 0.088 0.000 1.322 5056 H CB -0.172 29.628 29.762 0.064 0.000 1.426 5056 H HN 0.432 nan 8.280 nan 0.000 0.546 5057 A N 1.156 124.337 122.820 0.601 0.000 2.285 5057 A HA -0.087 4.239 4.320 0.011 0.000 0.214 5057 A C 2.279 180.029 177.584 0.276 0.000 1.188 5057 A CA 1.306 53.609 52.037 0.444 0.000 0.707 5057 A CB -0.990 18.165 19.000 0.259 0.000 0.771 5057 A HN 0.726 nan 8.150 nan 0.000 0.488 5058 G N -0.860 108.099 108.800 0.265 0.000 2.645 5058 G HA2 0.174 4.141 3.960 0.011 0.000 0.207 5058 G HA3 0.174 4.141 3.960 0.011 0.000 0.207 5058 G C 1.254 176.326 174.900 0.287 0.000 1.145 5058 G CA 0.487 45.724 45.100 0.228 0.000 0.831 5058 G HN 0.331 nan 8.290 nan 0.000 0.563 5059 L N 1.772 123.157 121.223 0.269 0.000 2.043 5059 L HA -0.124 4.223 4.340 0.011 0.000 0.212 5059 L C 2.825 179.904 176.870 0.349 0.000 1.075 5059 L CA 1.693 56.762 54.840 0.382 0.000 0.752 5059 L CB -0.625 41.572 42.059 0.231 0.000 0.891 5059 L HN 0.502 nan 8.230 nan 0.000 0.432 5060 I N -3.206 117.458 120.570 0.156 0.000 2.208 5060 I HA -0.234 3.943 4.170 0.011 0.000 0.245 5060 I C 2.416 178.690 176.117 0.262 0.000 1.097 5060 I CA 1.832 63.203 61.300 0.119 0.000 1.363 5060 I CB -0.523 37.484 38.000 0.012 0.000 1.051 5060 I HN 0.091 nan 8.210 nan 0.000 0.413 5061 V N 0.612 120.683 119.914 0.262 0.000 2.788 5061 V HA -0.148 3.979 4.120 0.011 0.000 0.251 5061 V C 2.261 178.540 176.094 0.308 0.000 1.068 5061 V CA 1.376 63.835 62.300 0.265 0.000 1.090 5061 V CB -0.429 31.477 31.823 0.140 0.000 0.710 5061 V HN 0.621 nan 8.190 nan 0.000 0.467 5062 F N -0.142 119.922 119.950 0.189 0.000 2.259 5062 F HA -0.112 4.422 4.527 0.011 0.000 0.298 5062 F C 1.823 177.732 175.800 0.182 0.000 1.088 5062 F CA 1.756 59.852 58.000 0.160 0.000 1.358 5062 F CB -0.685 38.398 39.000 0.137 0.000 1.040 5062 F HN 0.376 nan 8.300 nan 0.000 0.505 5063 W N 1.615 122.699 121.300 -0.359 0.000 2.363 5063 W HA -0.116 4.552 4.660 0.013 0.000 0.296 5063 W C 2.304 178.633 176.519 -0.316 0.000 1.212 5063 W CA 2.676 59.736 57.345 -0.476 0.000 1.260 5063 W CB -0.693 28.656 29.460 -0.185 0.000 1.131 5063 W HN 0.114 nan 8.180 nan 0.000 0.530 5064 A N 0.632 123.394 122.820 -0.097 0.000 1.933 5064 A HA -0.047 4.279 4.320 0.011 0.000 0.218 5064 A C 2.247 179.642 177.584 -0.316 0.000 1.175 5064 A CA 1.977 53.856 52.037 -0.264 0.000 0.628 5064 A CB -1.668 17.320 19.000 -0.019 0.000 0.814 5064 A HN 0.424 nan 8.150 nan 0.000 0.444 5065 G N -0.623 108.071 108.800 -0.176 0.000 2.418 5065 G HA2 0.025 3.992 3.960 0.011 0.000 0.217 5065 G HA3 0.025 3.992 3.960 0.011 0.000 0.217 5065 G C 1.685 176.454 174.900 -0.218 0.000 1.158 5065 G CA 1.536 46.561 45.100 -0.124 0.000 0.771 5065 G HN 0.759 nan 8.290 nan 0.000 0.545 5066 A N 0.582 123.137 122.820 -0.442 0.000 1.831 5066 A HA 0.188 4.515 4.320 0.011 0.000 0.213 5066 A C 2.428 179.840 177.584 -0.285 0.000 1.223 5066 A CA 1.655 53.483 52.037 -0.347 0.000 0.604 5066 A CB -0.457 18.221 19.000 -0.538 0.000 0.878 5066 A HN 0.222 nan 8.150 nan 0.000 0.450 5067 M N -0.061 119.198 119.600 -0.569 0.000 2.106 5067 M HA -0.157 4.330 4.480 0.011 0.000 0.259 5067 M C 2.243 178.364 176.300 -0.299 0.000 1.068 5067 M CA 2.184 57.154 55.300 -0.549 0.000 1.100 5067 M CB -1.608 30.335 32.600 -1.095 0.000 1.351 5067 M HN 0.506 nan 8.290 nan 0.000 0.404 5068 T N 1.381 115.734 114.554 -0.336 0.000 2.684 5068 T HA -0.130 4.227 4.350 0.011 0.000 0.267 5068 T C 1.985 176.656 174.700 -0.049 0.000 1.036 5068 T CA 1.084 63.070 62.100 -0.190 0.000 1.148 5068 T CB -0.286 68.443 68.868 -0.232 0.000 0.863 5068 T HN 0.310 nan 8.240 nan 0.000 0.436 5069 L N -0.317 120.887 121.223 -0.030 0.000 1.994 5069 L HA -0.061 4.286 4.340 0.011 0.000 0.208 5069 L C 2.290 179.233 176.870 0.121 0.000 1.071 5069 L CA 1.589 56.480 54.840 0.085 0.000 0.745 5069 L CB -0.557 41.551 42.059 0.082 0.000 0.892 5069 L HN 0.244 nan 8.230 nan 0.000 0.431 5070 F N 0.854 120.774 119.950 -0.050 0.000 2.120 5070 F HA -0.272 4.263 4.527 0.012 0.000 0.300 5070 F C 2.560 178.352 175.800 -0.014 0.000 1.095 5070 F CA 1.606 59.590 58.000 -0.026 0.000 1.249 5070 F CB -0.000 38.900 39.000 -0.167 0.000 0.995 5070 F HN 0.092 nan 8.300 nan 0.000 0.480 5071 E N 0.523 120.848 120.200 0.209 0.000 2.007 5071 E HA -0.316 4.040 4.350 0.011 0.000 0.203 5071 E C 2.289 178.963 176.600 0.123 0.000 1.020 5071 E CA 1.829 58.296 56.400 0.113 0.000 0.845 5071 E CB -1.027 28.672 29.700 -0.001 0.000 0.779 5071 E HN 0.517 nan 8.360 nan 0.000 0.466 5072 L N 0.880 122.151 121.223 0.080 0.000 2.137 5072 L HA -0.222 4.125 4.340 0.011 0.000 0.213 5072 L C 2.326 179.255 176.870 0.097 0.000 1.085 5072 L CA 1.681 56.580 54.840 0.099 0.000 0.760 5072 L CB -0.283 41.841 42.059 0.109 0.000 0.893 5072 L HN 0.111 nan 8.230 nan 0.000 0.434 5073 A N -1.308 121.563 122.820 0.085 0.000 2.131 5073 A HA -0.243 4.084 4.320 0.011 0.000 0.220 5073 A C 1.412 178.922 177.584 -0.123 0.000 1.158 5073 A CA 2.033 54.057 52.037 -0.021 0.000 0.665 5073 A CB -0.752 18.219 19.000 -0.048 0.000 0.795 5073 A HN 0.776 nan 8.150 nan 0.000 0.460 5074 H N -3.884 115.106 119.070 -0.134 0.000 3.360 5074 H HA 0.281 4.844 4.556 0.012 0.000 0.262 5074 H C -0.179 175.140 175.328 -0.015 0.000 1.149 5074 H CA -1.007 54.979 56.048 -0.104 0.000 1.181 5074 H CB 0.062 29.765 29.762 -0.098 0.000 1.564 5074 H HN 0.412 nan 8.280 nan 0.000 0.565 5075 F N 1.969 121.903 119.950 -0.027 0.000 2.504 5075 F HA 0.327 4.860 4.527 0.011 0.000 0.369 5075 F C -0.363 175.369 175.800 -0.113 0.000 1.082 5075 F CA -1.029 56.916 58.000 -0.091 0.000 1.216 5075 F CB 0.120 39.018 39.000 -0.171 0.000 1.108 5075 F HN -0.158 nan 8.300 nan 0.000 0.554 5076 I N 8.984 129.003 120.570 -0.918 0.000 2.525 5076 I HA 0.345 4.522 4.170 0.011 0.000 0.301 5076 I C -1.471 173.846 176.117 -1.334 0.000 0.992 5076 I CA -2.604 58.219 61.300 -0.795 0.000 1.162 5076 I CB 1.719 39.480 38.000 -0.397 0.000 1.332 5076 I HN 0.407 nan 8.210 nan 0.000 0.458 5077 P HA -0.098 nan 4.420 nan 0.000 0.220 5077 P C 0.673 177.811 177.300 -0.270 0.000 1.152 5077 P CA 1.214 63.982 63.100 -0.553 0.000 0.812 5077 P CB 0.313 31.876 31.700 -0.229 0.000 0.792 5078 E N 1.433 121.497 120.200 -0.228 0.000 2.016 5078 E HA -0.102 4.255 4.350 0.011 0.000 0.190 5078 E C 0.942 177.475 176.600 -0.111 0.000 0.985 5078 E CA 0.513 56.840 56.400 -0.121 0.000 0.802 5078 E CB -1.227 28.416 29.700 -0.095 0.000 0.762 5078 E HN 0.170 nan 8.360 nan 0.000 0.448 5079 K N 2.914 123.230 120.400 -0.140 0.000 2.477 5079 K HA -0.008 4.319 4.320 0.011 0.000 0.275 5079 K C -2.283 174.262 176.600 -0.092 0.000 1.054 5079 K CA -1.007 55.222 56.287 -0.096 0.000 1.135 5079 K CB 0.036 32.485 32.500 -0.085 0.000 0.854 5079 K HN -0.089 nan 8.250 nan 0.000 0.484 5080 P HA -0.171 nan 4.420 nan 0.000 0.257 5080 P C 0.650 177.744 177.300 -0.343 0.000 1.162 5080 P CA 0.486 63.363 63.100 -0.371 0.000 0.762 5080 P CB 0.428 31.696 31.700 -0.720 0.000 0.753 5081 M N 5.113 124.641 119.600 -0.121 0.000 2.153 5081 M HA -0.302 4.185 4.480 0.011 0.000 0.253 5081 M C 1.178 177.495 176.300 0.028 0.000 1.081 5081 M CA 2.194 57.516 55.300 0.037 0.000 1.076 5081 M CB -0.411 32.215 32.600 0.043 0.000 1.350 5081 M HN 0.424 nan 8.290 nan 0.000 0.401 5082 Y N -1.383 119.045 120.300 0.214 0.000 2.516 5082 Y HA 0.150 4.707 4.550 0.012 0.000 0.291 5082 Y C 1.660 177.805 175.900 0.408 0.000 1.131 5082 Y CA 0.602 58.861 58.100 0.265 0.000 1.281 5082 Y CB -1.227 37.423 38.460 0.316 0.000 1.013 5082 Y HN 0.317 nan 8.280 nan 0.000 0.554 5083 E N 0.692 121.111 120.200 0.364 0.000 2.358 5083 E HA -0.066 4.290 4.350 0.011 0.000 0.195 5083 E C 0.133 176.934 176.600 0.335 0.000 1.010 5083 E CA 0.483 57.211 56.400 0.548 0.000 0.856 5083 E CB 0.019 29.896 29.700 0.294 0.000 0.795 5083 E HN 0.682 nan 8.360 nan 0.000 0.504 5084 Q N 0.157 120.088 119.800 0.218 0.000 2.721 5084 Q HA 0.253 4.600 4.340 0.011 0.000 0.257 5084 Q C -0.007 176.075 176.000 0.138 0.000 1.070 5084 Q CA -0.413 55.493 55.803 0.170 0.000 0.910 5084 Q CB 1.234 30.073 28.738 0.168 0.000 1.163 5084 Q HN 0.131 nan 8.270 nan 0.000 0.501 5085 G N 2.502 111.368 108.800 0.110 0.000 2.121 5085 G HA2 -0.247 3.719 3.960 0.011 0.000 0.254 5085 G HA3 -0.247 3.719 3.960 0.011 0.000 0.254 5085 G C -0.082 174.826 174.900 0.013 0.000 0.763 5085 G CA 0.528 45.643 45.100 0.024 0.000 1.006 5085 G HN 0.523 nan 8.290 nan 0.000 0.415 5086 L N 1.098 122.351 121.223 0.049 0.000 2.287 5086 L HA 0.347 4.694 4.340 0.011 0.000 0.280 5086 L C 1.758 178.636 176.870 0.013 0.000 1.055 5086 L CA -0.822 54.018 54.840 -0.001 0.000 0.863 5086 L CB 0.630 42.653 42.059 -0.059 0.000 1.245 5086 L HN 0.443 nan 8.230 nan 0.000 0.432 5087 I N 0.077 120.679 120.570 0.053 0.000 2.512 5087 I HA -0.077 4.100 4.170 0.011 0.000 0.247 5087 I C 1.879 178.152 176.117 0.259 0.000 1.094 5087 I CA 0.316 61.726 61.300 0.184 0.000 1.427 5087 I CB -0.076 38.066 38.000 0.236 0.000 1.149 5087 I HN 0.414 nan 8.210 nan 0.000 0.438 5088 L N 1.517 122.832 121.223 0.154 0.000 1.994 5088 L HA -0.109 4.238 4.340 0.011 0.000 0.208 5088 L C 2.666 179.647 176.870 0.184 0.000 1.071 5088 L CA 2.016 56.958 54.840 0.170 0.000 0.745 5088 L CB -0.700 41.303 42.059 -0.094 0.000 0.892 5088 L HN 0.321 nan 8.230 nan 0.000 0.431 5089 I N 0.793 121.381 120.570 0.031 0.000 2.194 5089 I HA -0.245 3.931 4.170 0.011 0.000 0.246 5089 I C -0.345 175.781 176.117 0.015 0.000 1.093 5089 I CA 1.410 62.746 61.300 0.060 0.000 1.355 5089 I CB -1.299 36.571 38.000 -0.216 0.000 1.046 5089 I HN 0.236 nan 8.210 nan 0.000 0.413 5090 P HA -0.188 nan 4.420 nan 0.000 0.221 5090 P C 0.943 177.989 177.300 -0.423 0.000 1.145 5090 P CA 1.785 64.584 63.100 -0.501 0.000 0.795 5090 P CB -0.316 30.884 31.700 -0.833 0.000 0.775 5091 H N -0.656 118.384 119.070 -0.050 0.000 2.395 5091 H HA -0.012 4.551 4.556 0.011 0.000 0.299 5091 H C 1.970 177.285 175.328 -0.023 0.000 1.070 5091 H CA 0.868 56.942 56.048 0.043 0.000 1.356 5091 H CB -0.725 29.089 29.762 0.086 0.000 1.401 5091 H HN 0.070 nan 8.280 nan 0.000 0.524 5092 I N 0.965 121.519 120.570 -0.027 0.000 2.179 5092 I HA -0.219 3.957 4.170 0.011 0.000 0.242 5092 I C 2.610 178.644 176.117 -0.138 0.000 1.088 5092 I CA 1.357 62.547 61.300 -0.183 0.000 1.357 5092 I CB -0.949 36.614 38.000 -0.728 0.000 1.051 5092 I HN 0.286 nan 8.210 nan 0.000 0.409 5093 A N 0.611 123.267 122.820 -0.273 0.000 1.892 5093 A HA -0.275 4.052 4.320 0.011 0.000 0.218 5093 A C 2.454 179.977 177.584 -0.101 0.000 1.188 5093 A CA 2.923 54.747 52.037 -0.355 0.000 0.631 5093 A CB -1.663 16.596 19.000 -1.235 0.000 0.822 5093 A HN 0.551 nan 8.150 nan 0.000 0.447 5094 T N -1.641 112.909 114.554 -0.007 0.000 2.946 5094 T HA -0.053 4.304 4.350 0.011 0.000 0.271 5094 T C 1.365 176.198 174.700 0.222 0.000 1.104 5094 T CA 1.493 63.761 62.100 0.279 0.000 1.114 5094 T CB -0.424 68.604 68.868 0.267 0.000 0.867 5094 T HN 0.303 nan 8.240 nan 0.000 0.513 5095 L N 0.217 121.535 121.223 0.158 0.000 2.592 5095 L HA 0.419 4.766 4.340 0.011 0.000 0.227 5095 L C 2.065 178.927 176.870 -0.012 0.000 1.127 5095 L CA 0.411 55.315 54.840 0.106 0.000 0.884 5095 L CB -0.088 42.104 42.059 0.221 0.000 1.065 5095 L HN 0.584 nan 8.230 nan 0.000 0.457 5096 G N -1.819 107.028 108.800 0.079 0.000 2.195 5096 G HA2 -0.233 3.734 3.960 0.011 0.000 0.224 5096 G HA3 -0.233 3.734 3.960 0.011 0.000 0.224 5096 G C -0.008 174.882 174.900 -0.016 0.000 0.990 5096 G CA -0.665 44.443 45.100 0.014 0.000 0.639 5096 G HN 0.115 nan 8.290 nan 0.000 0.514 5097 W N 1.192 122.476 121.300 -0.027 0.000 2.272 5097 W HA 0.478 5.144 4.660 0.011 0.000 0.318 5097 W C 1.302 177.781 176.519 -0.068 0.000 1.255 5097 W CA 1.040 58.328 57.345 -0.096 0.000 1.200 5097 W CB 0.851 30.160 29.460 -0.252 0.000 1.170 5097 W HN 1.212 nan 8.180 nan 0.000 0.549 5098 G N 2.018 111.025 108.800 0.344 0.000 2.341 5098 G HA2 -0.223 3.744 3.960 0.011 0.000 0.292 5098 G HA3 -0.223 3.744 3.960 0.011 0.000 0.292 5098 G C 0.160 175.290 174.900 0.384 0.000 1.021 5098 G CA 0.549 45.894 45.100 0.408 0.000 0.905 5098 G HN 0.376 nan 8.290 nan 0.000 0.508 5099 V N -1.222 118.873 119.914 0.301 0.000 4.197 5099 V HA 0.789 4.916 4.120 0.011 0.000 0.176 5099 V C 2.284 178.553 176.094 0.291 0.000 1.208 5099 V CA 1.358 63.855 62.300 0.329 0.000 1.306 5099 V CB -0.497 31.590 31.823 0.441 0.000 1.585 5099 V HN 2.070 nan 8.190 nan 0.000 0.552 5100 G N 1.191 110.150 108.800 0.265 0.000 2.569 5100 G HA2 -0.187 3.780 3.960 0.011 0.000 0.259 5100 G HA3 -0.187 3.780 3.960 0.011 0.000 0.259 5100 G C -2.636 172.354 174.900 0.150 0.000 1.263 5100 G CA -0.231 44.965 45.100 0.161 0.000 0.928 5100 G HN 0.499 nan 8.290 nan 0.000 0.572 5101 P HA 0.288 nan 4.420 nan 0.000 0.264 5101 P C 1.103 178.477 177.300 0.123 0.000 1.156 5101 P CA 2.414 65.549 63.100 0.059 0.000 0.756 5101 P CB -0.227 31.500 31.700 0.044 0.000 0.764 5102 G N 3.267 112.125 108.800 0.096 0.000 2.707 5102 G HA2 -0.186 3.781 3.960 0.011 0.000 0.279 5102 G HA3 -0.186 3.781 3.960 0.011 0.000 0.279 5102 G C 1.045 176.180 174.900 0.392 0.000 1.345 5102 G CA -0.156 45.051 45.100 0.179 0.000 0.912 5102 G HN 0.747 nan 8.290 nan 0.000 0.563 5103 G N -0.653 108.379 108.800 0.385 0.000 3.181 5103 G HA2 0.356 4.322 3.960 0.011 0.000 0.219 5103 G HA3 0.356 4.322 3.960 0.011 0.000 0.219 5103 G C 0.558 175.732 174.900 0.457 0.000 1.182 5103 G CA 0.785 46.175 45.100 0.483 0.000 0.791 5103 G HN 0.749 nan 8.290 nan 0.000 0.537 5104 E N 0.745 121.133 120.200 0.314 0.000 2.413 5104 E HA 0.172 4.529 4.350 0.011 0.000 0.263 5104 E C -0.014 176.736 176.600 0.250 0.000 1.015 5104 E CA -0.129 56.409 56.400 0.231 0.000 0.916 5104 E CB 1.449 31.243 29.700 0.157 0.000 0.947 5104 E HN 0.104 nan 8.360 nan 0.000 0.440 5105 V N 3.433 123.478 119.914 0.219 0.000 2.383 5105 V HA 0.189 4.316 4.120 0.011 0.000 0.275 5105 V C 0.620 176.826 176.094 0.186 0.000 1.036 5105 V CA -0.319 62.116 62.300 0.224 0.000 0.889 5105 V CB 1.164 33.141 31.823 0.258 0.000 0.985 5105 V HN 0.548 nan 8.190 nan 0.000 0.459 5106 V N 1.320 121.353 119.914 0.197 0.000 3.085 5106 V HA 0.422 4.549 4.120 0.011 0.000 0.245 5106 V C 0.642 176.842 176.094 0.176 0.000 1.114 5106 V CA 0.594 62.989 62.300 0.158 0.000 1.108 5106 V CB -0.218 31.689 31.823 0.139 0.000 0.798 5106 V HN 0.780 nan 8.190 nan 0.000 0.471 5107 D N 1.563 122.108 120.400 0.241 0.000 2.472 5107 D HA 0.286 4.933 4.640 0.011 0.000 0.234 5107 D C 1.115 177.631 176.300 0.361 0.000 1.088 5107 D CA 0.437 54.607 54.000 0.284 0.000 0.882 5107 D CB 1.732 42.710 40.800 0.297 0.000 1.037 5107 D HN 0.259 nan 8.370 nan 0.000 0.520 5108 T N 1.531 116.257 114.554 0.287 0.000 3.007 5108 T HA -0.129 4.228 4.350 0.011 0.000 0.270 5108 T C 1.649 176.537 174.700 0.314 0.000 1.107 5108 T CA 0.844 63.096 62.100 0.252 0.000 1.118 5108 T CB -0.251 68.696 68.868 0.132 0.000 0.889 5108 T HN 0.289 nan 8.240 nan 0.000 0.506 5109 F N 2.255 122.334 119.950 0.215 0.000 2.014 5109 F HA 0.103 4.637 4.527 0.011 0.000 0.295 5109 F C -0.639 175.294 175.800 0.222 0.000 1.145 5109 F CA 1.342 59.474 58.000 0.221 0.000 1.178 5109 F CB -0.950 38.146 39.000 0.159 0.000 0.972 5109 F HN 0.188 nan 8.300 nan 0.000 0.476 5110 P HA -0.259 nan 4.420 nan 0.000 0.219 5110 P C 1.476 178.699 177.300 -0.128 0.000 1.158 5110 P CA 2.055 65.213 63.100 0.097 0.000 0.895 5110 P CB -0.303 31.433 31.700 0.060 0.000 0.792 5111 F N -2.158 117.766 119.950 -0.045 0.000 2.046 5111 F HA -0.169 4.365 4.527 0.011 0.000 0.297 5111 F C 2.292 178.037 175.800 -0.091 0.000 1.123 5111 F CA 1.366 59.297 58.000 -0.114 0.000 1.199 5111 F CB -1.632 37.301 39.000 -0.112 0.000 0.972 5111 F HN -0.148 nan 8.300 nan 0.000 0.474 5112 F N 0.996 120.959 119.950 0.023 0.000 2.087 5112 F HA -0.283 4.251 4.527 0.011 0.000 0.299 5112 F C 2.297 178.000 175.800 -0.161 0.000 1.100 5112 F CA 1.419 59.350 58.000 -0.114 0.000 1.226 5112 F CB -1.038 37.820 39.000 -0.236 0.000 0.983 5112 F HN -0.182 nan 8.300 nan 0.000 0.479 5113 V N 0.237 119.990 119.914 -0.267 0.000 2.222 5113 V HA -0.420 3.707 4.120 0.011 0.000 0.252 5113 V C 2.476 178.373 176.094 -0.328 0.000 1.060 5113 V CA 2.344 64.455 62.300 -0.315 0.000 1.027 5113 V CB -1.331 30.425 31.823 -0.112 0.000 0.644 5113 V HN 0.320 nan 8.190 nan 0.000 0.448 5114 V N 0.794 120.515 119.914 -0.322 0.000 2.380 5114 V HA -0.232 3.895 4.120 0.011 0.000 0.251 5114 V C 2.529 178.449 176.094 -0.290 0.000 1.063 5114 V CA 2.298 64.407 62.300 -0.318 0.000 1.055 5114 V CB -1.598 29.962 31.823 -0.439 0.000 0.657 5114 V HN 0.638 nan 8.190 nan 0.000 0.455 5115 G N -0.419 108.205 108.800 -0.294 0.000 2.396 5115 G HA2 -0.126 3.841 3.960 0.011 0.000 0.214 5115 G HA3 -0.126 3.841 3.960 0.011 0.000 0.214 5115 G C 1.631 176.419 174.900 -0.187 0.000 1.166 5115 G CA 0.922 45.876 45.100 -0.244 0.000 0.793 5115 G HN 0.367 nan 8.290 nan 0.000 0.533 5116 V N 0.473 120.189 119.914 -0.331 0.000 2.324 5116 V HA -0.190 3.936 4.120 0.011 0.000 0.250 5116 V C 2.871 178.872 176.094 -0.155 0.000 1.060 5116 V CA 1.598 63.692 62.300 -0.344 0.000 1.042 5116 V CB -0.545 30.874 31.823 -0.673 0.000 0.650 5116 V HN 0.225 nan 8.190 nan 0.000 0.450 5117 V N -0.945 118.896 119.914 -0.122 0.000 2.244 5117 V HA -0.276 3.850 4.120 0.011 0.000 0.244 5117 V C 2.385 178.517 176.094 0.064 0.000 1.042 5117 V CA 2.373 64.660 62.300 -0.021 0.000 1.006 5117 V CB -0.579 31.242 31.823 -0.003 0.000 0.641 5117 V HN 0.609 nan 8.190 nan 0.000 0.446 5118 H N -0.824 118.208 119.070 -0.063 0.000 2.265 5118 H HA -0.184 4.378 4.556 0.011 0.000 0.295 5118 H C 1.863 177.213 175.328 0.037 0.000 1.084 5118 H CA 2.309 58.351 56.048 -0.010 0.000 1.261 5118 H CB -0.678 29.065 29.762 -0.031 0.000 1.360 5118 H HN 0.290 nan 8.280 nan 0.000 0.487 5119 L N 0.784 122.109 121.223 0.171 0.000 1.965 5119 L HA -0.226 4.121 4.340 0.011 0.000 0.226 5119 L C 2.233 179.207 176.870 0.173 0.000 1.083 5119 L CA 1.837 56.786 54.840 0.182 0.000 0.790 5119 L CB -1.239 40.886 42.059 0.109 0.000 0.898 5119 L HN 0.399 nan 8.230 nan 0.000 0.439 5120 I N -0.649 119.980 120.570 0.098 0.000 2.151 5120 I HA -0.368 3.808 4.170 0.011 0.000 0.243 5120 I C 2.723 178.890 176.117 0.083 0.000 1.080 5120 I CA 1.746 63.093 61.300 0.079 0.000 1.339 5120 I CB -0.644 37.379 38.000 0.038 0.000 1.039 5120 I HN 0.553 nan 8.210 nan 0.000 0.409 5121 S N 0.598 116.337 115.700 0.064 0.000 2.407 5121 S HA -0.280 4.197 4.470 0.011 0.000 0.235 5121 S C 2.264 176.907 174.600 0.072 0.000 1.036 5121 S CA 2.219 60.442 58.200 0.039 0.000 1.013 5121 S CB -0.494 62.686 63.200 -0.033 0.000 0.820 5121 S HN 0.634 nan 8.310 nan 0.000 0.476 5122 S N 1.509 117.284 115.700 0.124 0.000 2.382 5122 S HA -0.009 4.468 4.470 0.011 0.000 0.228 5122 S C 2.123 176.805 174.600 0.137 0.000 1.027 5122 S CA 1.385 59.683 58.200 0.164 0.000 0.991 5122 S CB -1.119 62.253 63.200 0.286 0.000 0.823 5122 S HN 0.838 nan 8.310 nan 0.000 0.469 5123 A N 2.535 125.429 122.820 0.123 0.000 1.869 5123 A HA -0.109 4.217 4.320 0.011 0.000 0.218 5123 A C 2.651 180.359 177.584 0.207 0.000 1.203 5123 A CA 2.965 55.080 52.037 0.130 0.000 0.638 5123 A CB -1.820 17.253 19.000 0.122 0.000 0.831 5123 A HN 1.354 nan 8.150 nan 0.000 0.450 5124 V N -1.754 118.265 119.914 0.174 0.000 2.324 5124 V HA -0.285 3.841 4.120 0.011 0.000 0.250 5124 V C 2.334 178.504 176.094 0.127 0.000 1.060 5124 V CA 2.439 64.819 62.300 0.133 0.000 1.042 5124 V CB -1.057 30.798 31.823 0.054 0.000 0.650 5124 V HN 0.391 nan 8.190 nan 0.000 0.450 5125 L N 1.314 122.611 121.223 0.124 0.000 2.056 5125 L HA 0.102 4.449 4.340 0.011 0.000 0.207 5125 L C 2.786 179.751 176.870 0.158 0.000 1.078 5125 L CA 2.077 56.994 54.840 0.128 0.000 0.749 5125 L CB -1.048 41.086 42.059 0.125 0.000 0.901 5125 L HN 0.492 nan 8.230 nan 0.000 0.433 5126 G N -1.696 107.203 108.800 0.164 0.000 2.411 5126 G HA2 -0.221 3.746 3.960 0.011 0.000 0.213 5126 G HA3 -0.221 3.746 3.960 0.011 0.000 0.213 5126 G C 1.631 176.664 174.900 0.222 0.000 1.166 5126 G CA 0.079 45.272 45.100 0.154 0.000 0.802 5126 G HN 0.351 nan 8.290 nan 0.000 0.533 5127 F N 1.863 121.840 119.950 0.046 0.000 2.192 5127 F HA -0.132 4.401 4.527 0.011 0.000 0.301 5127 F C 2.371 178.220 175.800 0.081 0.000 1.079 5127 F CA 1.054 59.080 58.000 0.043 0.000 1.303 5127 F CB 0.299 39.313 39.000 0.024 0.000 1.024 5127 F HN 0.217 nan 8.300 nan 0.000 0.494 5128 G N -0.913 108.068 108.800 0.301 0.000 2.490 5128 G HA2 -0.023 3.944 3.960 0.011 0.000 0.211 5128 G HA3 -0.023 3.944 3.960 0.011 0.000 0.211 5128 G C 1.716 176.801 174.900 0.308 0.000 1.159 5128 G CA 0.487 45.738 45.100 0.251 0.000 0.819 5128 G HN 0.470 nan 8.290 nan 0.000 0.539 5129 G N 0.642 109.587 108.800 0.242 0.000 2.440 5129 G HA2 -0.198 3.769 3.960 0.011 0.000 0.218 5129 G HA3 -0.198 3.769 3.960 0.011 0.000 0.218 5129 G C 1.784 176.765 174.900 0.134 0.000 1.154 5129 G CA 1.194 46.402 45.100 0.180 0.000 0.767 5129 G HN 0.359 nan 8.290 nan 0.000 0.552 5130 V N 0.039 120.044 119.914 0.151 0.000 2.469 5130 V HA -0.195 3.932 4.120 0.011 0.000 0.251 5130 V C 2.219 178.386 176.094 0.122 0.000 1.064 5130 V CA 2.431 64.801 62.300 0.116 0.000 1.066 5130 V CB -0.481 31.412 31.823 0.117 0.000 0.667 5130 V HN 0.575 nan 8.190 nan 0.000 0.461 5131 Y N 0.410 120.760 120.300 0.084 0.000 2.144 5131 Y HA -0.119 4.438 4.550 0.012 0.000 0.279 5131 Y C 2.560 178.464 175.900 0.006 0.000 1.099 5131 Y CA 1.768 59.880 58.100 0.019 0.000 1.087 5131 Y CB -1.341 37.092 38.460 -0.045 0.000 1.007 5131 Y HN 0.397 nan 8.280 nan 0.000 0.482 5132 H N 0.254 118.697 119.070 -1.045 0.000 2.509 5132 H HA -0.241 4.322 4.556 0.012 0.000 0.293 5132 H C 1.997 177.017 175.328 -0.512 0.000 1.125 5132 H CA 1.537 57.028 56.048 -0.928 0.000 1.188 5132 H CB -0.487 29.041 29.762 -0.391 0.000 1.349 5132 H HN 0.570 nan 8.280 nan 0.000 0.528 5133 A N -0.437 122.260 122.820 -0.206 0.000 2.095 5133 A HA 0.125 4.452 4.320 0.011 0.000 0.212 5133 A C 2.252 179.776 177.584 -0.101 0.000 1.162 5133 A CA 0.567 52.535 52.037 -0.115 0.000 0.753 5133 A CB 0.246 19.212 19.000 -0.056 0.000 0.840 5133 A HN 0.302 nan 8.150 nan 0.000 0.468 5134 I N -3.442 117.062 120.570 -0.110 0.000 3.812 5134 I HA 0.233 4.410 4.170 0.011 0.000 0.292 5134 I C 1.918 178.025 176.117 -0.018 0.000 1.206 5134 I CA 0.091 61.365 61.300 -0.042 0.000 1.370 5134 I CB 0.052 38.052 38.000 0.001 0.000 1.328 5134 I HN -0.133 nan 8.210 nan 0.000 0.453 5135 R N 1.689 122.199 120.500 0.016 0.000 2.362 5135 R HA 0.377 4.724 4.340 0.011 0.000 0.227 5135 R C 0.768 177.184 176.300 0.193 0.000 0.905 5135 R CA 0.220 56.404 56.100 0.140 0.000 1.067 5135 R CB 0.532 30.992 30.300 0.267 0.000 1.078 5135 R HN 0.392 nan 8.270 nan 0.000 0.516 5136 G N 1.686 110.449 108.800 -0.062 0.000 2.606 5136 G HA2 0.269 4.236 3.960 0.011 0.000 0.262 5136 G HA3 0.269 4.236 3.960 0.011 0.000 0.262 5136 G C -2.264 172.629 174.900 -0.012 0.000 1.394 5136 G CA -0.781 44.316 45.100 -0.005 0.000 1.044 5136 G HN -0.048 nan 8.290 nan 0.000 0.553 5137 P HA 0.075 nan 4.420 nan 0.000 0.264 5137 P C 0.110 177.404 177.300 -0.010 0.000 1.229 5137 P CA 0.263 63.377 63.100 0.023 0.000 0.780 5137 P CB 1.181 32.904 31.700 0.040 0.000 0.808 5138 E N 2.069 122.272 120.200 0.006 0.000 2.510 5138 E HA -0.089 4.268 4.350 0.011 0.000 0.202 5138 E C -0.204 176.406 176.600 0.017 0.000 1.072 5138 E CA 0.548 56.949 56.400 0.001 0.000 0.883 5138 E CB 0.287 29.994 29.700 0.013 0.000 0.818 5138 E HN 0.323 nan 8.360 nan 0.000 0.548 5139 T N -0.266 114.306 114.554 0.030 0.000 3.355 5139 T HA 0.182 4.539 4.350 0.011 0.000 0.324 5139 T C -0.299 174.441 174.700 0.068 0.000 0.932 5139 T CA -0.569 61.562 62.100 0.052 0.000 1.032 5139 T CB 0.876 69.785 68.868 0.068 0.000 1.027 5139 T HN 0.185 nan 8.240 nan 0.000 0.456 5140 L N 3.972 125.216 121.223 0.034 0.000 2.592 5140 L HA 0.448 4.795 4.340 0.011 0.000 0.227 5140 L C 2.135 179.090 176.870 0.141 0.000 1.127 5140 L CA 0.298 55.172 54.840 0.057 0.000 0.884 5140 L CB -0.092 41.919 42.059 -0.080 0.000 1.065 5140 L HN 0.696 nan 8.230 nan 0.000 0.457 5141 E N 0.806 121.089 120.200 0.138 0.000 2.072 5141 E HA -0.278 4.079 4.350 0.011 0.000 0.191 5141 E C 1.686 178.366 176.600 0.133 0.000 0.985 5141 E CA 1.805 58.297 56.400 0.153 0.000 0.801 5141 E CB 0.257 30.037 29.700 0.134 0.000 0.750 5141 E HN 0.810 nan 8.360 nan 0.000 0.452 5142 E N -0.100 120.176 120.200 0.125 0.000 2.033 5142 E HA -0.213 4.144 4.350 0.011 0.000 0.189 5142 E C 2.081 178.760 176.600 0.132 0.000 0.979 5142 E CA 1.160 57.622 56.400 0.102 0.000 0.802 5142 E CB -1.244 28.503 29.700 0.077 0.000 0.763 5142 E HN 0.288 nan 8.360 nan 0.000 0.449 5143 Y N 1.750 122.072 120.300 0.037 0.000 2.465 5143 Y HA -0.187 4.370 4.550 0.011 0.000 0.289 5143 Y C 2.061 178.003 175.900 0.071 0.000 1.150 5143 Y CA 0.512 58.629 58.100 0.029 0.000 1.293 5143 Y CB -0.638 37.826 38.460 0.006 0.000 0.977 5143 Y HN 0.227 nan 8.280 nan 0.000 0.556 5144 S N 0.043 115.937 115.700 0.323 0.000 1.931 5144 S HA -0.483 3.994 4.470 0.011 0.000 0.521 5144 S C 1.934 176.719 174.600 0.307 0.000 0.931 5144 S CA 4.050 62.407 58.200 0.263 0.000 3.252 5144 S CB -1.632 61.646 63.200 0.131 0.000 2.277 5144 S HN 1.233 nan 8.310 nan 0.000 0.559 5145 S N 1.629 117.417 115.700 0.147 0.000 4.157 5145 S HA -0.392 4.085 4.470 0.011 0.000 0.538 5145 S C 0.856 175.445 174.600 -0.018 0.000 1.384 5145 S CA 2.261 60.502 58.200 0.069 0.000 3.765 5145 S CB -2.433 60.807 63.200 0.067 0.000 1.819 5145 S HN 2.085 nan 8.310 nan 0.000 0.455 5146 F N 4.514 124.305 119.950 -0.265 0.000 2.431 5146 F HA 0.387 4.920 4.527 0.011 0.000 0.321 5146 F C 0.783 176.124 175.800 -0.765 0.000 1.250 5146 F CA -0.517 57.002 58.000 -0.801 0.000 1.099 5146 F CB -2.141 36.559 39.000 -0.502 0.000 1.548 5146 F HN 0.578 nan 8.300 nan 0.000 0.659 5147 F N 0.430 120.252 119.950 -0.213 0.000 2.547 5147 F HA -0.292 4.242 4.527 0.011 0.000 0.714 5147 F C 1.931 177.569 175.800 -0.270 0.000 0.486 5147 F CA 1.369 59.205 58.000 -0.274 0.000 0.738 5147 F CB -2.006 36.746 39.000 -0.414 0.000 1.612 5147 F HN 0.966 nan 8.300 nan 0.000 0.270 5148 G N -0.363 108.219 108.800 -0.364 0.000 2.553 5148 G HA2 -0.095 3.872 3.960 0.011 0.000 0.242 5148 G HA3 -0.095 3.872 3.960 0.011 0.000 0.242 5148 G C -1.227 173.765 174.900 0.154 0.000 1.277 5148 G CA 0.022 45.105 45.100 -0.028 0.000 0.910 5148 G HN 1.042 nan 8.290 nan 0.000 0.576 5149 Y N 1.559 121.800 120.300 -0.098 0.000 2.492 5149 Y HA 0.649 5.205 4.550 0.011 0.000 0.346 5149 Y C -0.216 175.559 175.900 -0.208 0.000 0.997 5149 Y CA -0.338 57.637 58.100 -0.208 0.000 1.025 5149 Y CB 2.419 40.768 38.460 -0.184 0.000 1.263 5149 Y HN 0.950 nan 8.280 nan 0.000 0.454 5150 D N 2.713 122.756 120.400 -0.596 0.000 2.385 5150 D HA -0.086 4.560 4.640 0.011 0.000 0.153 5150 D C -0.734 175.238 176.300 -0.546 0.000 0.830 5150 D CA -0.218 53.508 54.000 -0.455 0.000 1.097 5150 D CB 0.091 40.814 40.800 -0.129 0.000 4.800 5150 D HN 0.529 nan 8.370 nan 0.000 0.527 5151 W N 3.301 124.518 121.300 -0.139 0.000 2.413 5151 W HA 0.072 4.740 4.660 0.013 0.000 0.315 5151 W C 2.432 179.037 176.519 0.145 0.000 1.186 5151 W CA 0.599 57.946 57.345 0.004 0.000 1.326 5151 W CB -0.430 29.104 29.460 0.122 0.000 1.153 5151 W HN 0.326 nan 8.180 nan 0.000 0.489 5152 K N 1.131 121.742 120.400 0.350 0.000 2.189 5152 K HA -0.222 4.105 4.320 0.011 0.000 0.207 5152 K C 0.223 176.883 176.600 0.100 0.000 1.046 5152 K CA 1.413 57.836 56.287 0.226 0.000 0.928 5152 K CB -1.116 31.453 32.500 0.115 0.000 0.720 5152 K HN 0.083 nan 8.250 nan 0.000 0.458 5153 D N 1.800 122.224 120.400 0.041 0.000 2.449 5153 D HA -0.108 4.539 4.640 0.011 0.000 0.278 5153 D C 1.013 177.305 176.300 -0.015 0.000 1.417 5153 D CA 0.335 54.320 54.000 -0.026 0.000 1.192 5153 D CB 0.216 40.978 40.800 -0.063 0.000 1.129 5153 D HN 0.155 nan 8.370 nan 0.000 0.539 5154 K N 3.140 123.507 120.400 -0.055 0.000 2.286 5154 K HA -0.207 4.120 4.320 0.011 0.000 0.203 5154 K C 0.871 177.466 176.600 -0.008 0.000 1.045 5154 K CA 1.308 57.559 56.287 -0.059 0.000 0.935 5154 K CB 0.182 32.505 32.500 -0.295 0.000 0.737 5154 K HN 0.434 nan 8.250 nan 0.000 0.460 5155 N N -0.645 118.034 118.700 -0.035 0.000 2.439 5155 N HA -0.037 4.710 4.740 0.011 0.000 0.176 5155 N C 1.336 176.835 175.510 -0.019 0.000 1.029 5155 N CA 0.008 53.044 53.050 -0.023 0.000 0.886 5155 N CB 0.154 38.618 38.487 -0.039 0.000 1.057 5155 N HN -0.081 nan 8.380 nan 0.000 0.437 5156 K N 0.917 121.298 120.400 -0.031 0.000 2.211 5156 K HA 0.022 4.349 4.320 0.011 0.000 0.204 5156 K C 1.613 178.178 176.600 -0.057 0.000 1.047 5156 K CA 1.215 57.482 56.287 -0.033 0.000 0.935 5156 K CB 0.019 32.478 32.500 -0.068 0.000 0.728 5156 K HN 0.179 nan 8.250 nan 0.000 0.452 5157 M N -1.140 118.416 119.600 -0.072 0.000 2.287 5157 M HA -0.024 4.463 4.480 0.011 0.000 0.266 5157 M C 2.165 178.445 176.300 -0.033 0.000 1.079 5157 M CA 1.440 56.678 55.300 -0.102 0.000 1.146 5157 M CB -1.024 31.475 32.600 -0.168 0.000 1.374 5157 M HN 0.163 nan 8.290 nan 0.000 0.435 5158 T N 0.685 115.258 114.554 0.032 0.000 2.746 5158 T HA -0.111 4.246 4.350 0.011 0.000 0.267 5158 T C 1.698 176.425 174.700 0.045 0.000 1.039 5158 T CA 2.286 64.451 62.100 0.108 0.000 1.142 5158 T CB -0.128 68.814 68.868 0.124 0.000 0.866 5158 T HN 0.393 nan 8.240 nan 0.000 0.444 5159 T N 1.779 116.309 114.554 -0.041 0.000 2.777 5159 T HA 0.016 4.373 4.350 0.011 0.000 0.266 5159 T C 1.828 176.357 174.700 -0.284 0.000 1.040 5159 T CA 1.012 62.998 62.100 -0.191 0.000 1.141 5159 T CB -0.325 68.442 68.868 -0.168 0.000 0.868 5159 T HN 0.210 nan 8.240 nan 0.000 0.444 5160 I N 1.891 122.430 120.570 -0.050 0.000 2.058 5160 I HA -0.112 4.064 4.170 0.011 0.000 0.235 5160 I C 2.382 178.601 176.117 0.171 0.000 1.053 5160 I CA 0.819 62.214 61.300 0.157 0.000 1.313 5160 I CB -1.017 37.016 38.000 0.054 0.000 1.039 5160 I HN 0.234 nan 8.210 nan 0.000 0.396 5161 L N 0.105 121.326 121.223 -0.003 0.000 2.089 5161 L HA -0.194 4.153 4.340 0.011 0.000 0.213 5161 L C 2.322 179.215 176.870 0.037 0.000 1.079 5161 L CA 2.145 56.970 54.840 -0.025 0.000 0.758 5161 L CB -1.272 40.734 42.059 -0.088 0.000 0.891 5161 L HN 0.321 nan 8.230 nan 0.000 0.433 5162 G N -0.206 108.563 108.800 -0.052 0.000 2.469 5162 G HA2 -0.317 3.650 3.960 0.011 0.000 0.219 5162 G HA3 -0.317 3.650 3.960 0.011 0.000 0.219 5162 G C 1.176 176.012 174.900 -0.106 0.000 1.150 5162 G CA 1.239 46.267 45.100 -0.120 0.000 0.763 5162 G HN 0.458 nan 8.290 nan 0.000 0.561 5163 F N 0.916 120.898 119.950 0.054 0.000 2.051 5163 F HA 0.031 4.564 4.527 0.011 0.000 0.296 5163 F C 2.630 178.403 175.800 -0.046 0.000 1.122 5163 F CA 1.482 59.459 58.000 -0.040 0.000 1.201 5163 F CB -1.032 37.879 39.000 -0.149 0.000 0.978 5163 F HN 0.182 nan 8.300 nan 0.000 0.472 5164 H N -0.358 118.809 119.070 0.162 0.000 2.557 5164 H HA -0.057 4.506 4.556 0.012 0.000 0.287 5164 H C 1.989 177.347 175.328 0.050 0.000 1.043 5164 H CA 0.802 56.903 56.048 0.087 0.000 1.226 5164 H CB -0.548 29.252 29.762 0.063 0.000 1.361 5164 H HN 0.272 nan 8.280 nan 0.000 0.592 5165 L N -0.396 120.904 121.223 0.129 0.000 2.168 5165 L HA -0.049 4.298 4.340 0.011 0.000 0.203 5165 L C 1.704 178.612 176.870 0.065 0.000 1.078 5165 L CA 0.306 55.184 54.840 0.063 0.000 0.780 5165 L CB -0.059 42.004 42.059 0.006 0.000 0.939 5165 L HN 0.268 nan 8.230 nan 0.000 0.451 5166 I N -0.829 119.781 120.570 0.067 0.000 2.226 5166 I HA -0.206 3.970 4.170 0.011 0.000 0.245 5166 I C 2.654 178.807 176.117 0.061 0.000 1.100 5166 I CA 1.093 62.431 61.300 0.064 0.000 1.374 5166 I CB -1.435 36.608 38.000 0.070 0.000 1.057 5166 I HN 0.027 nan 8.210 nan 0.000 0.413 5167 V N 1.283 121.231 119.914 0.056 0.000 2.250 5167 V HA -0.312 3.815 4.120 0.011 0.000 0.250 5167 V C 2.708 178.839 176.094 0.061 0.000 1.060 5167 V CA 2.050 64.373 62.300 0.039 0.000 1.030 5167 V CB -0.440 31.386 31.823 0.004 0.000 0.643 5167 V HN 0.241 nan 8.190 nan 0.000 0.445 5168 L N 0.363 121.631 121.223 0.076 0.000 1.973 5168 L HA -0.017 4.330 4.340 0.011 0.000 0.208 5168 L C 2.686 179.604 176.870 0.080 0.000 1.073 5168 L CA 2.457 57.346 54.840 0.082 0.000 0.746 5168 L CB -1.821 40.287 42.059 0.081 0.000 0.891 5168 L HN 0.367 nan 8.230 nan 0.000 0.433 5169 G N -0.593 108.251 108.800 0.073 0.000 2.562 5169 G HA2 -0.315 3.651 3.960 0.011 0.000 0.223 5169 G HA3 -0.315 3.651 3.960 0.011 0.000 0.223 5169 G C 1.745 176.691 174.900 0.075 0.000 1.102 5169 G CA 1.167 46.311 45.100 0.074 0.000 0.742 5169 G HN 0.350 nan 8.290 nan 0.000 0.587 5170 I N 0.877 121.488 120.570 0.069 0.000 2.074 5170 I HA -0.247 3.929 4.170 0.011 0.000 0.238 5170 I C 2.942 179.102 176.117 0.073 0.000 1.037 5170 I CA 1.738 63.076 61.300 0.064 0.000 1.301 5170 I CB -0.307 37.728 38.000 0.058 0.000 1.016 5170 I HN 0.278 nan 8.210 nan 0.000 0.400 5171 G N -0.858 107.993 108.800 0.085 0.000 2.712 5171 G HA2 -0.001 3.965 3.960 0.011 0.000 0.212 5171 G HA3 -0.001 3.965 3.960 0.011 0.000 0.212 5171 G C 1.720 176.685 174.900 0.109 0.000 1.142 5171 G CA 0.542 45.698 45.100 0.094 0.000 0.789 5171 G HN 0.536 nan 8.290 nan 0.000 0.535 5172 A N 0.940 123.837 122.820 0.127 0.000 1.958 5172 A HA -0.096 4.231 4.320 0.011 0.000 0.221 5172 A C 2.327 179.997 177.584 0.143 0.000 1.178 5172 A CA 1.555 53.702 52.037 0.182 0.000 0.642 5172 A CB -0.320 18.768 19.000 0.148 0.000 0.816 5172 A HN 0.411 nan 8.150 nan 0.000 0.453 5173 L N -1.778 119.504 121.223 0.098 0.000 2.127 5173 L HA -0.011 4.336 4.340 0.011 0.000 0.203 5173 L C 2.426 179.321 176.870 0.041 0.000 1.080 5173 L CA 0.761 55.644 54.840 0.072 0.000 0.768 5173 L CB -0.628 41.470 42.059 0.064 0.000 0.924 5173 L HN 0.367 nan 8.230 nan 0.000 0.444 5174 L N 0.292 121.545 121.223 0.050 0.000 2.064 5174 L HA -0.276 4.071 4.340 0.011 0.000 0.216 5174 L C 2.474 179.350 176.870 0.009 0.000 1.077 5174 L CA 1.836 56.701 54.840 0.042 0.000 0.766 5174 L CB -0.263 41.849 42.059 0.090 0.000 0.890 5174 L HN 0.231 nan 8.230 nan 0.000 0.435 5175 L N -1.894 119.339 121.223 0.017 0.000 2.044 5175 L HA -0.137 4.210 4.340 0.011 0.000 0.205 5175 L C 2.315 179.126 176.870 -0.099 0.000 1.075 5175 L CA 1.355 56.172 54.840 -0.039 0.000 0.747 5175 L CB -0.280 41.729 42.059 -0.082 0.000 0.903 5175 L HN 0.030 nan 8.230 nan 0.000 0.435 5176 V N 0.845 120.718 119.914 -0.068 0.000 2.370 5176 V HA -0.372 3.755 4.120 0.011 0.000 0.252 5176 V C 2.861 178.830 176.094 -0.207 0.000 1.068 5176 V CA 1.814 64.054 62.300 -0.100 0.000 1.061 5176 V CB -1.468 30.352 31.823 -0.005 0.000 0.656 5176 V HN 0.661 nan 8.190 nan 0.000 0.455 5177 A N -0.512 122.222 122.820 -0.143 0.000 1.841 5177 A HA -0.204 4.123 4.320 0.011 0.000 0.214 5177 A C 2.338 179.693 177.584 -0.382 0.000 1.195 5177 A CA 1.851 53.759 52.037 -0.216 0.000 0.611 5177 A CB -0.568 18.192 19.000 -0.399 0.000 0.835 5177 A HN 0.343 nan 8.150 nan 0.000 0.443 5178 K N 0.131 120.369 120.400 -0.269 0.000 2.103 5178 K HA -0.111 4.216 4.320 0.011 0.000 0.207 5178 K C 2.102 178.582 176.600 -0.201 0.000 1.048 5178 K CA 1.603 57.794 56.287 -0.160 0.000 0.930 5178 K CB -0.654 31.787 32.500 -0.100 0.000 0.716 5178 K HN 0.413 nan 8.250 nan 0.000 0.444 5179 A N 0.126 122.812 122.820 -0.223 0.000 1.929 5179 A HA -0.070 4.257 4.320 0.011 0.000 0.216 5179 A C 2.036 179.436 177.584 -0.306 0.000 1.176 5179 A CA 1.614 53.518 52.037 -0.222 0.000 0.628 5179 A CB -0.153 18.731 19.000 -0.194 0.000 0.816 5179 A HN 0.354 nan 8.150 nan 0.000 0.444 5180 M N -3.113 116.170 119.600 -0.527 0.000 2.449 5180 M HA 0.313 4.800 4.480 0.011 0.000 0.262 5180 M C 0.374 176.102 176.300 -0.952 0.000 1.152 5180 M CA 0.441 55.226 55.300 -0.858 0.000 1.104 5180 M CB 0.665 32.438 32.600 -1.378 0.000 1.416 5180 M HN 0.341 nan 8.290 nan 0.000 0.519 5181 F N -2.047 117.831 119.950 -0.120 0.000 2.817 5181 F HA 0.363 4.896 4.527 0.011 0.000 0.333 5181 F C 1.301 177.271 175.800 0.283 0.000 1.085 5181 F CA -0.362 57.617 58.000 -0.035 0.000 1.170 5181 F CB 0.092 38.995 39.000 -0.161 0.000 1.066 5181 F HN -0.030 nan 8.300 nan 0.000 0.564 5182 F N -1.247 118.728 119.950 0.042 0.000 2.740 5182 F HA 0.440 4.974 4.527 0.011 0.000 0.304 5182 F C 1.887 177.616 175.800 -0.119 0.000 1.098 5182 F CA 0.450 58.441 58.000 -0.015 0.000 1.258 5182 F CB 1.178 40.169 39.000 -0.016 0.000 1.061 5182 F HN 0.038 nan 8.300 nan 0.000 0.598 5183 G N -0.140 108.664 108.800 0.006 0.000 4.180 5183 G HA2 0.356 4.323 3.960 0.011 0.000 0.166 5183 G HA3 0.356 4.323 3.960 0.011 0.000 0.166 5183 G C 0.401 175.219 174.900 -0.137 0.000 0.816 5183 G CA 0.293 45.322 45.100 -0.117 0.000 0.880 5183 G HN 0.605 nan 8.290 nan 0.000 0.399 5184 G N -0.502 108.202 108.800 -0.159 0.000 2.526 5184 G HA2 0.200 4.167 3.960 0.011 0.000 0.250 5184 G HA3 0.200 4.167 3.960 0.011 0.000 0.250 5184 G C -0.549 174.275 174.900 -0.127 0.000 1.289 5184 G CA -0.270 44.751 45.100 -0.133 0.000 0.947 5184 G HN 1.013 nan 8.290 nan 0.000 0.517 5185 L N -1.566 119.624 121.223 -0.054 0.000 2.194 5185 L HA 0.710 5.057 4.340 0.011 0.000 0.248 5185 L C -0.443 176.501 176.870 0.123 0.000 1.071 5185 L CA -1.203 53.652 54.840 0.025 0.000 0.901 5185 L CB 1.768 43.845 42.059 0.030 0.000 1.497 5185 L HN 0.698 nan 8.230 nan 0.000 0.442 5186 Y N 0.650 121.016 120.300 0.111 0.000 2.313 5186 Y HA 0.348 4.904 4.550 0.011 0.000 0.332 5186 Y C -0.798 175.196 175.900 0.157 0.000 1.071 5186 Y CA -0.105 58.104 58.100 0.181 0.000 1.169 5186 Y CB 1.164 39.841 38.460 0.361 0.000 1.192 5186 Y HN 0.418 nan 8.280 nan 0.000 0.487 5187 D N 4.011 124.394 120.400 -0.028 0.000 2.473 5187 D HA 0.116 4.763 4.640 0.011 0.000 0.253 5187 D C 0.574 176.918 176.300 0.072 0.000 1.233 5187 D CA -0.267 53.807 54.000 0.124 0.000 0.908 5187 D CB 1.499 42.346 40.800 0.077 0.000 1.170 5187 D HN 0.747 nan 8.370 nan 0.000 0.558 5188 T N 0.582 115.333 114.554 0.329 0.000 2.867 5188 T HA -0.122 4.234 4.350 0.011 0.000 0.268 5188 T C 1.623 176.398 174.700 0.125 0.000 1.057 5188 T CA 0.701 62.962 62.100 0.268 0.000 1.136 5188 T CB -0.270 68.793 68.868 0.325 0.000 0.874 5188 T HN 0.414 nan 8.240 nan 0.000 0.466 5189 W N 2.531 123.877 121.300 0.075 0.000 2.409 5189 W HA 0.536 5.203 4.660 0.011 0.000 0.299 5189 W C 1.706 178.234 176.519 0.016 0.000 1.203 5189 W CA -0.085 57.290 57.345 0.050 0.000 1.298 5189 W CB -0.994 28.490 29.460 0.040 0.000 1.127 5189 W HN 0.314 nan 8.180 nan 0.000 0.528 5190 A N 2.117 125.068 122.820 0.218 0.000 2.591 5190 A HA -0.146 4.181 4.320 0.011 0.000 0.265 5190 A C -1.261 176.345 177.584 0.036 0.000 0.946 5190 A CA 0.061 52.149 52.037 0.085 0.000 0.928 5190 A CB -1.015 17.981 19.000 -0.007 0.000 0.816 5190 A HN 0.148 nan 8.150 nan 0.000 0.466 5191 P HA -0.348 nan 4.420 nan 0.000 0.249 5191 P C 1.739 179.017 177.300 -0.036 0.000 0.857 5191 P CA 2.287 65.393 63.100 0.011 0.000 1.100 5191 P CB -0.414 31.287 31.700 0.001 0.000 0.761 5192 G N -0.748 108.014 108.800 -0.063 0.000 2.867 5192 G HA2 -0.085 3.882 3.960 0.011 0.000 0.244 5192 G HA3 -0.085 3.882 3.960 0.011 0.000 0.244 5192 G C 0.710 175.499 174.900 -0.183 0.000 1.151 5192 G CA 1.848 46.877 45.100 -0.118 0.000 0.750 5192 G HN 0.907 nan 8.290 nan 0.000 0.652 5193 G N -3.178 105.530 108.800 -0.153 0.000 2.342 5193 G HA2 0.597 4.564 3.960 0.011 0.000 0.297 5193 G HA3 0.597 4.564 3.960 0.011 0.000 0.297 5193 G C 0.038 174.862 174.900 -0.125 0.000 1.313 5193 G CA -0.079 44.923 45.100 -0.164 0.000 0.830 5193 G HN 1.213 nan 8.290 nan 0.000 0.506 5194 G N -0.648 108.114 108.800 -0.063 0.000 2.238 5194 G HA2 0.412 4.379 3.960 0.011 0.000 0.234 5194 G HA3 0.412 4.379 3.960 0.011 0.000 0.234 5194 G C -0.264 174.382 174.900 -0.425 0.000 1.181 5194 G CA 1.602 46.599 45.100 -0.172 0.000 0.871 5194 G HN 1.078 nan 8.290 nan 0.000 0.490 5195 D N -0.053 119.837 120.400 -0.850 0.000 2.706 5195 D HA 0.076 4.723 4.640 0.011 0.000 0.229 5195 D C -0.438 175.616 176.300 -0.411 0.000 1.145 5195 D CA -0.559 53.145 54.000 -0.494 0.000 0.746 5195 D CB 1.242 41.915 40.800 -0.212 0.000 2.093 5195 D HN 0.571 nan 8.370 nan 0.000 0.473 5196 V N 4.140 123.943 119.914 -0.185 0.000 2.539 5196 V HA 0.269 4.395 4.120 0.011 0.000 0.300 5196 V C -0.051 176.002 176.094 -0.069 0.000 1.019 5196 V CA 0.996 63.267 62.300 -0.049 0.000 1.160 5196 V CB 0.081 31.927 31.823 0.038 0.000 0.901 5196 V HN 0.636 nan 8.190 nan 0.000 0.481 5197 R N 4.589 125.053 120.500 -0.061 0.000 2.771 5197 R HA 0.754 5.101 4.340 0.011 0.000 0.274 5197 R C -1.159 175.110 176.300 -0.052 0.000 0.987 5197 R CA -0.529 55.540 56.100 -0.053 0.000 0.908 5197 R CB 2.411 32.681 30.300 -0.050 0.000 1.213 5197 R HN 0.722 nan 8.270 nan 0.000 0.468 5198 V N 1.764 121.645 119.914 -0.055 0.000 2.407 5198 V HA 0.479 4.606 4.120 0.011 0.000 0.278 5198 V C 0.007 176.052 176.094 -0.082 0.000 1.037 5198 V CA -0.881 61.371 62.300 -0.079 0.000 0.900 5198 V CB 1.050 32.829 31.823 -0.073 0.000 0.983 5198 V HN 0.579 nan 8.190 nan 0.000 0.459 5199 I N 5.990 126.494 120.570 -0.109 0.000 2.483 5199 I HA 0.156 4.333 4.170 0.011 0.000 0.291 5199 I C 1.761 177.807 176.117 -0.117 0.000 1.112 5199 I CA 0.930 62.172 61.300 -0.096 0.000 1.350 5199 I CB 0.544 38.482 38.000 -0.103 0.000 1.419 5199 I HN 0.980 nan 8.210 nan 0.000 0.523 5200 T N 1.674 116.186 114.554 -0.071 0.000 2.706 5200 T HA -0.033 4.324 4.350 0.011 0.000 0.255 5200 T C 1.062 175.737 174.700 -0.042 0.000 1.048 5200 T CA 0.463 62.528 62.100 -0.058 0.000 1.153 5200 T CB -0.096 68.758 68.868 -0.023 0.000 0.865 5200 T HN 0.439 nan 8.240 nan 0.000 0.414 5201 N N 3.034 121.724 118.700 -0.016 0.000 2.817 5201 N HA 0.381 5.128 4.740 0.011 0.000 0.234 5201 N C -2.768 172.752 175.510 0.017 0.000 1.066 5201 N CA -1.449 51.605 53.050 0.006 0.000 0.926 5201 N CB 0.970 39.468 38.487 0.018 0.000 1.176 5201 N HN 0.258 nan 8.380 nan 0.000 0.506 5202 P HA 0.067 nan 4.420 nan 0.000 0.274 5202 P C -0.318 177.033 177.300 0.085 0.000 1.264 5202 P CA 0.066 63.197 63.100 0.050 0.000 0.795 5202 P CB 0.559 32.292 31.700 0.055 0.000 1.064 5203 T N 0.737 115.364 114.554 0.121 0.000 2.806 5203 T HA 0.200 4.556 4.350 0.011 0.000 0.290 5203 T C 0.931 175.766 174.700 0.226 0.000 0.966 5203 T CA -0.209 61.971 62.100 0.135 0.000 1.060 5203 T CB 0.415 69.342 68.868 0.099 0.000 0.927 5203 T HN 0.255 nan 8.240 nan 0.000 0.485 5204 L N 2.922 124.263 121.223 0.197 0.000 2.140 5204 L HA 0.239 4.586 4.340 0.011 0.000 0.201 5204 L C 0.267 177.319 176.870 0.304 0.000 1.191 5204 L CA 0.390 55.395 54.840 0.275 0.000 0.825 5204 L CB -0.028 42.129 42.059 0.164 0.000 0.970 5204 L HN 0.558 nan 8.230 nan 0.000 0.477 5205 D N 1.965 122.456 120.400 0.152 0.000 4.262 5205 D HA -0.137 4.510 4.640 0.011 0.000 0.186 5205 D C -1.707 174.583 176.300 -0.017 0.000 1.090 5205 D CA 0.357 54.396 54.000 0.065 0.000 0.711 5205 D CB 0.341 41.144 40.800 0.006 0.000 1.194 5205 D HN 0.357 nan 8.370 nan 0.000 0.627 5206 P HA -0.109 nan 4.420 nan 0.000 0.222 5206 P C 1.255 178.410 177.300 -0.242 0.000 1.153 5206 P CA 0.451 63.349 63.100 -0.338 0.000 0.798 5206 P CB 0.457 31.874 31.700 -0.473 0.000 0.796 5207 R N 0.228 120.617 120.500 -0.184 0.000 2.096 5207 R HA -0.073 4.274 4.340 0.011 0.000 0.240 5207 R C 2.331 178.514 176.300 -0.196 0.000 1.139 5207 R CA 1.088 57.088 56.100 -0.165 0.000 0.952 5207 R CB -1.935 28.289 30.300 -0.126 0.000 0.854 5207 R HN 0.189 nan 8.270 nan 0.000 0.436 5208 V N 1.673 121.457 119.914 -0.217 0.000 2.221 5208 V HA -0.206 3.921 4.120 0.011 0.000 0.240 5208 V C 2.543 178.349 176.094 -0.480 0.000 1.041 5208 V CA 1.785 63.874 62.300 -0.351 0.000 0.991 5208 V CB -0.660 31.024 31.823 -0.232 0.000 0.634 5208 V HN 0.150 nan 8.190 nan 0.000 0.450 5209 I N -0.744 119.649 120.570 -0.295 0.000 2.181 5209 I HA -0.330 3.847 4.170 0.011 0.000 0.247 5209 I C 2.350 178.305 176.117 -0.270 0.000 1.081 5209 I CA 2.079 63.231 61.300 -0.247 0.000 1.340 5209 I CB -0.424 37.373 38.000 -0.339 0.000 1.036 5209 I HN 0.242 nan 8.210 nan 0.000 0.417 5210 F N 0.393 120.097 119.950 -0.410 0.000 2.219 5210 F HA 0.076 4.609 4.527 0.011 0.000 0.294 5210 F C 2.597 178.253 175.800 -0.240 0.000 1.086 5210 F CA 1.088 58.906 58.000 -0.304 0.000 1.330 5210 F CB -1.341 37.457 39.000 -0.337 0.000 1.047 5210 F HN -0.012 nan 8.300 nan 0.000 0.495 5211 G N -0.391 108.346 108.800 -0.106 0.000 2.606 5211 G HA2 -0.352 3.614 3.960 0.011 0.000 0.223 5211 G HA3 -0.352 3.614 3.960 0.011 0.000 0.223 5211 G C 1.442 176.279 174.900 -0.104 0.000 1.106 5211 G CA 1.396 46.400 45.100 -0.160 0.000 0.745 5211 G HN 0.304 nan 8.290 nan 0.000 0.597 5212 Y N 0.195 120.485 120.300 -0.017 0.000 2.165 5212 Y HA -0.045 4.511 4.550 0.011 0.000 0.286 5212 Y C 2.809 178.724 175.900 0.026 0.000 1.155 5212 Y CA 0.845 58.952 58.100 0.012 0.000 1.164 5212 Y CB -0.897 37.573 38.460 0.017 0.000 0.978 5212 Y HN 0.115 nan 8.280 nan 0.000 0.513 5213 L N -0.868 120.403 121.223 0.080 0.000 2.043 5213 L HA -0.255 4.092 4.340 0.011 0.000 0.212 5213 L C 1.997 178.802 176.870 -0.108 0.000 1.075 5213 L CA 1.244 55.995 54.840 -0.147 0.000 0.752 5213 L CB -0.909 41.008 42.059 -0.237 0.000 0.891 5213 L HN 0.188 nan 8.230 nan 0.000 0.432 5214 L N -0.698 120.500 121.223 -0.041 0.000 2.551 5214 L HA -0.022 4.325 4.340 0.011 0.000 0.228 5214 L C 1.153 178.041 176.870 0.029 0.000 1.153 5214 L CA 0.853 55.675 54.840 -0.030 0.000 0.851 5214 L CB -1.519 40.517 42.059 -0.039 0.000 0.959 5214 L HN 0.252 nan 8.230 nan 0.000 0.451 5215 K N 0.408 120.868 120.400 0.100 0.000 2.202 5215 K HA 0.142 4.469 4.320 0.011 0.000 0.264 5215 K C 0.581 177.264 176.600 0.138 0.000 1.010 5215 K CA -0.219 56.142 56.287 0.123 0.000 0.940 5215 K CB 0.869 33.480 32.500 0.186 0.000 0.983 5215 K HN 0.001 nan 8.250 nan 0.000 0.475 5216 S N 3.167 118.910 115.700 0.073 0.000 2.536 5216 S HA -0.079 4.398 4.470 0.011 0.000 0.290 5216 S C -1.551 173.069 174.600 0.032 0.000 1.302 5216 S CA -0.648 57.569 58.200 0.028 0.000 1.037 5216 S CB 0.208 63.422 63.200 0.023 0.000 0.804 5216 S HN 0.593 nan 8.310 nan 0.000 0.506 5217 P HA 0.211 nan 4.420 nan 0.000 0.242 5217 P C 0.077 177.370 177.300 -0.012 0.000 1.176 5217 P CA 0.336 63.362 63.100 -0.123 0.000 0.859 5217 P CB 0.262 31.842 31.700 -0.200 0.000 1.010 5218 F N 1.572 121.456 119.950 -0.109 0.000 2.352 5218 F HA 0.470 5.000 4.527 0.005 0.000 0.304 5218 F C 1.915 177.654 175.800 -0.101 0.000 1.215 5218 F CA -1.217 56.717 58.000 -0.110 0.000 1.121 5218 F CB -1.206 37.764 39.000 -0.050 0.000 1.329 5218 F HN -0.182 nan 8.300 nan 0.000 0.528 5219 G N -0.055 108.815 108.800 0.117 0.000 2.178 5219 G HA2 0.359 4.326 3.960 0.011 0.000 0.244 5219 G HA3 0.359 4.326 3.960 0.011 0.000 0.244 5219 G C 0.797 175.734 174.900 0.061 0.000 1.213 5219 G CA 0.421 45.554 45.100 0.056 0.000 0.912 5219 G HN 1.284 nan 8.290 nan 0.000 0.474 5220 G N 1.811 110.606 108.800 -0.009 0.000 2.391 5220 G HA2 -0.154 3.813 3.960 0.011 0.000 0.204 5220 G HA3 -0.154 3.813 3.960 0.011 0.000 0.204 5220 G C 0.076 174.945 174.900 -0.052 0.000 1.012 5220 G CA 0.204 45.271 45.100 -0.055 0.000 0.651 5220 G HN 0.910 nan 8.290 nan 0.000 0.494 5221 E N -0.046 120.137 120.200 -0.028 0.000 2.565 5221 E HA 0.502 4.859 4.350 0.011 0.000 0.343 5221 E C -0.040 176.525 176.600 -0.059 0.000 0.968 5221 E CA 0.017 56.398 56.400 -0.032 0.000 0.773 5221 E CB 1.125 30.833 29.700 0.013 0.000 1.513 5221 E HN 0.693 nan 8.360 nan 0.000 0.384 5222 G N 1.349 110.061 108.800 -0.147 0.000 2.353 5222 G HA2 0.235 4.202 3.960 0.011 0.000 0.284 5222 G HA3 0.235 4.202 3.960 0.011 0.000 0.284 5222 G C 0.577 175.377 174.900 -0.167 0.000 1.172 5222 G CA -0.640 44.306 45.100 -0.255 0.000 0.854 5222 G HN 0.668 nan 8.290 nan 0.000 0.485 5223 W N 3.872 125.105 121.300 -0.111 0.000 2.321 5223 W HA -0.146 4.519 4.660 0.009 0.000 0.306 5223 W C 1.062 177.518 176.519 -0.106 0.000 1.217 5223 W CA 1.286 58.592 57.345 -0.065 0.000 1.257 5223 W CB -0.568 28.866 29.460 -0.042 0.000 1.145 5223 W HN 0.304 nan 8.180 nan 0.000 0.509 5224 I N 1.046 121.673 120.570 0.095 0.000 2.499 5224 I HA -0.123 4.054 4.170 0.011 0.000 0.243 5224 I C 2.853 178.754 176.117 -0.360 0.000 1.085 5224 I CA 1.621 62.960 61.300 0.064 0.000 1.422 5224 I CB -1.672 36.410 38.000 0.135 0.000 1.165 5224 I HN 0.104 nan 8.210 nan 0.000 0.440 5225 V N -0.419 119.059 119.914 -0.727 0.000 2.250 5225 V HA -0.269 3.858 4.120 0.011 0.000 0.253 5225 V C 1.663 177.400 176.094 -0.595 0.000 1.065 5225 V CA 1.668 63.302 62.300 -1.110 0.000 1.039 5225 V CB -1.604 29.705 31.823 -0.856 0.000 0.647 5225 V HN 0.338 nan 8.190 nan 0.000 0.446 5226 S N 0.893 116.349 115.700 -0.406 0.000 2.611 5226 S HA 0.325 4.801 4.470 0.011 0.000 0.317 5226 S C -0.344 174.020 174.600 -0.393 0.000 1.208 5226 S CA 0.185 58.211 58.200 -0.292 0.000 1.217 5226 S CB -0.783 62.309 63.200 -0.180 0.000 1.085 5226 S HN 0.667 nan 8.310 nan 0.000 0.529 5227 V N 6.406 126.161 119.914 -0.264 0.000 2.637 5227 V HA 0.194 4.321 4.120 0.011 0.000 0.274 5227 V C 0.609 176.572 176.094 -0.219 0.000 1.004 5227 V CA -0.964 61.185 62.300 -0.253 0.000 0.894 5227 V CB 1.235 32.949 31.823 -0.181 0.000 1.046 5227 V HN 0.648 nan 8.190 nan 0.000 0.467 5228 N N 2.941 121.449 118.700 -0.319 0.000 2.036 5228 N HA -0.141 4.606 4.740 0.011 0.000 0.195 5228 N C 0.751 175.788 175.510 -0.789 0.000 1.037 5228 N CA 2.286 54.924 53.050 -0.687 0.000 0.855 5228 N CB 0.083 38.150 38.487 -0.700 0.000 1.033 5228 N HN 0.963 nan 8.380 nan 0.000 0.423 5229 N N -1.853 116.604 118.700 -0.404 0.000 2.890 5229 N HA 0.344 5.090 4.740 0.011 0.000 0.317 5229 N C 0.029 175.492 175.510 -0.078 0.000 1.355 5229 N CA -0.706 52.197 53.050 -0.244 0.000 0.803 5229 N CB 1.169 39.553 38.487 -0.172 0.000 1.465 5229 N HN -0.164 nan 8.380 nan 0.000 0.591 5230 L N -0.243 120.965 121.223 -0.024 0.000 2.209 5230 L HA 0.022 4.369 4.340 0.011 0.000 0.207 5230 L C 1.974 178.852 176.870 0.014 0.000 1.094 5230 L CA 0.529 55.373 54.840 0.007 0.000 0.790 5230 L CB -0.395 41.671 42.059 0.012 0.000 0.932 5230 L HN 0.592 nan 8.230 nan 0.000 0.447 5231 E N 0.420 120.625 120.200 0.008 0.000 2.171 5231 E HA -0.251 4.106 4.350 0.011 0.000 0.197 5231 E C 1.185 177.820 176.600 0.057 0.000 0.997 5231 E CA 1.402 57.815 56.400 0.022 0.000 0.810 5231 E CB -0.364 29.346 29.700 0.016 0.000 0.738 5231 E HN 0.569 nan 8.360 nan 0.000 0.467 5232 D N 0.188 120.630 120.400 0.070 0.000 2.301 5232 D HA 0.012 4.659 4.640 0.011 0.000 0.206 5232 D C 2.077 178.474 176.300 0.162 0.000 0.979 5232 D CA 0.234 54.313 54.000 0.132 0.000 0.874 5232 D CB 0.343 41.256 40.800 0.189 0.000 0.968 5232 D HN 0.021 nan 8.370 nan 0.000 0.510 5233 V N 1.163 121.153 119.914 0.126 0.000 2.239 5233 V HA -0.168 3.958 4.120 0.011 0.000 0.236 5233 V C 2.526 178.756 176.094 0.227 0.000 1.040 5233 V CA 1.206 63.612 62.300 0.177 0.000 0.996 5233 V CB -0.748 31.132 31.823 0.095 0.000 0.640 5233 V HN 0.022 nan 8.190 nan 0.000 0.456 5234 V N 1.102 121.059 119.914 0.072 0.000 2.380 5234 V HA -0.229 3.898 4.120 0.011 0.000 0.251 5234 V C 2.379 178.551 176.094 0.131 0.000 1.063 5234 V CA 2.692 65.008 62.300 0.027 0.000 1.055 5234 V CB -1.015 30.773 31.823 -0.057 0.000 0.657 5234 V HN 0.629 nan 8.190 nan 0.000 0.455 5235 G N -0.803 108.075 108.800 0.129 0.000 2.442 5235 G HA2 -0.157 3.810 3.960 0.011 0.000 0.219 5235 G HA3 -0.157 3.810 3.960 0.011 0.000 0.219 5235 G C 1.530 176.582 174.900 0.253 0.000 1.141 5235 G CA 0.866 46.068 45.100 0.170 0.000 0.763 5235 G HN 0.729 nan 8.290 nan 0.000 0.554 5236 G N -0.397 108.542 108.800 0.232 0.000 2.396 5236 G HA2 -0.056 3.911 3.960 0.011 0.000 0.214 5236 G HA3 -0.056 3.911 3.960 0.011 0.000 0.214 5236 G C 1.498 176.526 174.900 0.214 0.000 1.166 5236 G CA 0.947 46.166 45.100 0.197 0.000 0.793 5236 G HN 0.481 nan 8.290 nan 0.000 0.533 5237 H N 0.608 119.748 119.070 0.116 0.000 2.319 5237 H HA -0.060 4.503 4.556 0.012 0.000 0.297 5237 H C 2.559 177.960 175.328 0.123 0.000 1.097 5237 H CA 1.635 57.742 56.048 0.099 0.000 1.285 5237 H CB -0.182 29.622 29.762 0.069 0.000 1.368 5237 H HN 0.295 nan 8.280 nan 0.000 0.495 5238 I N -0.754 119.971 120.570 0.258 0.000 2.053 5238 I HA -0.396 3.781 4.170 0.011 0.000 0.236 5238 I C 1.991 178.215 176.117 0.178 0.000 1.038 5238 I CA 1.749 63.153 61.300 0.173 0.000 1.304 5238 I CB -0.563 37.522 38.000 0.141 0.000 1.023 5238 I HN 0.380 nan 8.210 nan 0.000 0.395 5239 W N 0.249 121.586 121.300 0.061 0.000 2.303 5239 W HA -0.274 4.393 4.660 0.012 0.000 0.287 5239 W C 2.480 179.000 176.519 0.003 0.000 1.213 5239 W CA 0.962 58.337 57.345 0.049 0.000 1.203 5239 W CB -0.171 29.311 29.460 0.036 0.000 1.136 5239 W HN 0.207 nan 8.180 nan 0.000 0.547 5240 I N -0.271 120.422 120.570 0.205 0.000 2.480 5240 I HA -0.016 4.161 4.170 0.011 0.000 0.251 5240 I C 2.351 178.517 176.117 0.082 0.000 1.124 5240 I CA 1.645 62.996 61.300 0.086 0.000 1.444 5240 I CB -1.411 36.569 38.000 -0.034 0.000 1.098 5240 I HN 0.017 nan 8.210 nan 0.000 0.428 5241 G N 1.354 110.210 108.800 0.093 0.000 2.459 5241 G HA2 -0.261 3.706 3.960 0.011 0.000 0.217 5241 G HA3 -0.261 3.706 3.960 0.011 0.000 0.217 5241 G C 1.542 176.482 174.900 0.066 0.000 1.183 5241 G CA 0.748 45.896 45.100 0.080 0.000 0.776 5241 G HN 0.308 nan 8.290 nan 0.000 0.552 5242 L N 0.644 121.897 121.223 0.051 0.000 2.017 5242 L HA 0.068 4.415 4.340 0.011 0.000 0.208 5242 L C 2.864 179.775 176.870 0.068 0.000 1.073 5242 L CA 1.002 55.861 54.840 0.031 0.000 0.745 5242 L CB -0.713 41.320 42.059 -0.042 0.000 0.894 5242 L HN 0.208 nan 8.230 nan 0.000 0.432 5243 I N -1.164 119.470 120.570 0.106 0.000 2.208 5243 I HA -0.409 3.768 4.170 0.011 0.000 0.245 5243 I C 2.742 178.921 176.117 0.103 0.000 1.097 5243 I CA 1.532 62.919 61.300 0.146 0.000 1.363 5243 I CB -0.360 37.761 38.000 0.203 0.000 1.051 5243 I HN 0.519 nan 8.210 nan 0.000 0.413 5244 C N 0.984 120.331 119.300 0.079 0.000 2.475 5244 C HA -0.042 4.425 4.460 0.011 0.000 0.279 5244 C C 2.674 177.703 174.990 0.065 0.000 1.322 5244 C CA 0.231 59.284 59.018 0.057 0.000 1.734 5244 C CB -0.828 26.940 27.740 0.047 0.000 2.005 5244 C HN 0.412 nan 8.230 nan 0.000 0.495 5245 I N 1.808 122.421 120.570 0.072 0.000 2.226 5245 I HA -0.125 4.052 4.170 0.011 0.000 0.245 5245 I C 2.898 179.076 176.117 0.101 0.000 1.100 5245 I CA 1.543 62.887 61.300 0.075 0.000 1.374 5245 I CB -0.490 37.548 38.000 0.063 0.000 1.057 5245 I HN 0.425 nan 8.210 nan 0.000 0.413 5246 A N 0.561 123.454 122.820 0.121 0.000 2.131 5246 A HA -0.107 4.219 4.320 0.011 0.000 0.220 5246 A C 2.274 180.019 177.584 0.268 0.000 1.158 5246 A CA 1.753 53.901 52.037 0.184 0.000 0.665 5246 A CB -1.023 18.089 19.000 0.186 0.000 0.795 5246 A HN 0.506 nan 8.150 nan 0.000 0.460 5247 G N -0.961 107.950 108.800 0.186 0.000 2.490 5247 G HA2 0.213 4.180 3.960 0.011 0.000 0.211 5247 G HA3 0.213 4.180 3.960 0.011 0.000 0.211 5247 G C 1.448 176.478 174.900 0.216 0.000 1.159 5247 G CA 0.939 46.158 45.100 0.197 0.000 0.819 5247 G HN 0.585 nan 8.290 nan 0.000 0.539 5248 G N 1.256 110.118 108.800 0.104 0.000 2.402 5248 G HA2 -0.126 3.841 3.960 0.011 0.000 0.216 5248 G HA3 -0.126 3.841 3.960 0.011 0.000 0.216 5248 G C 1.670 176.616 174.900 0.076 0.000 1.162 5248 G CA 0.881 46.012 45.100 0.052 0.000 0.777 5248 G HN 0.287 nan 8.290 nan 0.000 0.539 5249 I N -0.318 120.319 120.570 0.111 0.000 2.208 5249 I HA -0.109 4.068 4.170 0.011 0.000 0.245 5249 I C 2.354 178.555 176.117 0.139 0.000 1.097 5249 I CA 0.371 61.723 61.300 0.087 0.000 1.363 5249 I CB -0.387 37.669 38.000 0.093 0.000 1.051 5249 I HN 0.365 nan 8.210 nan 0.000 0.413 5250 W N 1.372 122.710 121.300 0.062 0.000 2.381 5250 W HA -0.193 4.475 4.660 0.013 0.000 0.323 5250 W C 2.818 179.380 176.519 0.072 0.000 1.194 5250 W CA 1.926 59.322 57.345 0.085 0.000 1.296 5250 W CB -1.152 28.402 29.460 0.157 0.000 1.175 5250 W HN 0.284 nan 8.180 nan 0.000 0.465 5251 H N -0.050 119.288 119.070 0.447 0.000 2.387 5251 H HA -0.202 4.361 4.556 0.011 0.000 0.299 5251 H C 2.359 177.720 175.328 0.055 0.000 1.099 5251 H CA 1.757 57.958 56.048 0.255 0.000 1.315 5251 H CB -0.401 29.435 29.762 0.123 0.000 1.380 5251 H HN 0.191 nan 8.280 nan 0.000 0.513 5252 I N 1.153 121.773 120.570 0.082 0.000 2.264 5252 I HA -0.275 3.902 4.170 0.011 0.000 0.248 5252 I C 1.840 177.900 176.117 -0.095 0.000 1.111 5252 I CA 1.164 62.380 61.300 -0.140 0.000 1.382 5252 I CB 0.051 37.879 38.000 -0.286 0.000 1.060 5252 I HN 0.198 nan 8.210 nan 0.000 0.418 5253 L N -0.319 120.869 121.223 -0.058 0.000 2.375 5253 L HA 0.068 4.414 4.340 0.011 0.000 0.215 5253 L C 0.869 177.679 176.870 -0.101 0.000 1.108 5253 L CA 0.409 55.192 54.840 -0.096 0.000 0.830 5253 L CB -0.532 41.439 42.059 -0.147 0.000 0.959 5253 L HN 0.343 nan 8.230 nan 0.000 0.457 5254 T N -4.088 110.428 114.554 -0.063 0.000 2.864 5254 T HA 0.424 4.781 4.350 0.011 0.000 0.289 5254 T C -0.203 174.472 174.700 -0.042 0.000 1.082 5254 T CA -0.591 61.462 62.100 -0.078 0.000 1.009 5254 T CB 2.172 70.971 68.868 -0.114 0.000 1.234 5254 T HN -0.255 nan 8.240 nan 0.000 0.526 5255 T N 2.942 117.439 114.554 -0.094 0.000 2.829 5255 T HA 0.561 4.918 4.350 0.011 0.000 0.282 5255 T C -2.462 172.181 174.700 -0.096 0.000 0.990 5255 T CA -0.855 61.189 62.100 -0.094 0.000 1.028 5255 T CB 0.854 69.637 68.868 -0.141 0.000 0.951 5255 T HN 0.458 nan 8.240 nan 0.000 0.460 5256 P HA 0.155 nan 4.420 nan 0.000 0.266 5256 P C -0.241 177.031 177.300 -0.047 0.000 1.195 5256 P CA -0.256 62.876 63.100 0.054 0.000 0.768 5256 P CB 0.238 32.014 31.700 0.127 0.000 0.838 5257 F N 0.645 120.308 119.950 -0.477 0.000 2.527 5257 F HA 0.185 4.720 4.527 0.012 0.000 0.316 5257 F C 2.117 177.564 175.800 -0.587 0.000 1.258 5257 F CA 0.334 57.983 58.000 -0.585 0.000 1.314 5257 F CB -0.946 37.525 39.000 -0.883 0.000 1.200 5257 F HN 0.393 nan 8.300 nan 0.000 0.577 5258 G N 0.224 108.891 108.800 -0.223 0.000 2.484 5258 G HA2 -0.167 3.800 3.960 0.011 0.000 0.218 5258 G HA3 -0.167 3.800 3.960 0.011 0.000 0.218 5258 G C 1.095 175.997 174.900 0.005 0.000 1.130 5258 G CA 0.340 45.374 45.100 -0.110 0.000 0.784 5258 G HN 0.828 nan 8.290 nan 0.000 0.543 5259 W N -0.135 121.235 121.300 0.116 0.000 2.770 5259 W HA 0.445 5.112 4.660 0.012 0.000 0.256 5259 W C 1.963 178.519 176.519 0.061 0.000 1.291 5259 W CA 0.263 57.664 57.345 0.094 0.000 1.396 5259 W CB -0.522 28.986 29.460 0.081 0.000 1.114 5259 W HN 0.218 nan 8.180 nan 0.000 0.637 5260 A N 2.700 125.466 122.820 -0.089 0.000 1.840 5260 A HA -0.146 4.181 4.320 0.011 0.000 0.214 5260 A C 2.233 179.741 177.584 -0.128 0.000 1.198 5260 A CA 1.816 53.642 52.037 -0.351 0.000 0.608 5260 A CB -0.874 17.726 19.000 -0.666 0.000 0.839 5260 A HN 0.253 nan 8.150 nan 0.000 0.443 5261 R N -0.597 120.000 120.500 0.161 0.000 2.096 5261 R HA -0.171 4.176 4.340 0.011 0.000 0.240 5261 R C 2.496 179.038 176.300 0.404 0.000 1.139 5261 R CA 1.661 57.992 56.100 0.386 0.000 0.952 5261 R CB -0.502 29.758 30.300 -0.066 0.000 0.854 5261 R HN 0.566 nan 8.270 nan 0.000 0.436 5262 R N 0.926 121.577 120.500 0.251 0.000 2.096 5262 R HA -0.190 4.157 4.340 0.011 0.000 0.240 5262 R C 2.205 178.706 176.300 0.336 0.000 1.139 5262 R CA 1.803 58.057 56.100 0.257 0.000 0.952 5262 R CB -0.275 30.166 30.300 0.235 0.000 0.854 5262 R HN 0.314 nan 8.270 nan 0.000 0.436 5263 A N 0.985 124.073 122.820 0.446 0.000 1.840 5263 A HA 0.036 4.362 4.320 0.011 0.000 0.214 5263 A C 0.833 178.866 177.584 0.748 0.000 1.198 5263 A CA 0.776 53.202 52.037 0.648 0.000 0.608 5263 A CB -0.294 19.351 19.000 1.075 0.000 0.839 5263 A HN 0.317 nan 8.150 nan 0.000 0.443 5264 F N -0.583 119.428 119.950 0.100 0.000 2.420 5264 F HA 0.517 5.053 4.527 0.015 0.000 0.342 5264 F C 0.109 175.826 175.800 -0.139 0.000 1.113 5264 F CA -1.078 56.871 58.000 -0.085 0.000 1.059 5264 F CB 0.950 39.736 39.000 -0.357 0.000 1.128 5264 F HN 0.024 nan 8.300 nan 0.000 0.475 5265 I N 2.796 123.468 120.570 0.169 0.000 2.710 5265 I HA -0.066 4.111 4.170 0.011 0.000 0.286 5265 I C -1.071 174.949 176.117 -0.161 0.000 1.181 5265 I CA 0.278 61.638 61.300 0.100 0.000 1.430 5265 I CB 0.371 38.380 38.000 0.016 0.000 1.367 5265 I HN 0.451 nan 8.210 nan 0.000 0.577 5266 W N 6.864 128.110 121.300 -0.090 0.000 2.361 5266 W HA 0.657 5.326 4.660 0.014 0.000 0.314 5266 W C -0.147 176.155 176.519 -0.361 0.000 1.041 5266 W CA -0.643 56.539 57.345 -0.271 0.000 1.241 5266 W CB 1.200 30.713 29.460 0.088 0.000 1.279 5266 W HN 0.348 nan 8.180 nan 0.000 0.436 5267 S N 0.923 116.268 115.700 -0.592 0.000 2.543 5267 S HA 0.496 4.973 4.470 0.011 0.000 0.274 5267 S C 0.968 175.236 174.600 -0.553 0.000 1.149 5267 S CA -0.053 57.921 58.200 -0.377 0.000 0.866 5267 S CB 0.834 63.831 63.200 -0.337 0.000 1.111 5267 S HN 0.732 nan 8.310 nan 0.000 0.457 5268 G N 2.299 110.799 108.800 -0.501 0.000 2.529 5268 G HA2 -0.275 3.692 3.960 0.011 0.000 0.219 5268 G HA3 -0.275 3.692 3.960 0.011 0.000 0.219 5268 G C 1.058 175.523 174.900 -0.725 0.000 1.177 5268 G CA 1.598 46.062 45.100 -1.060 0.000 0.773 5268 G HN 0.889 nan 8.290 nan 0.000 0.573 5269 E N 0.571 120.380 120.200 -0.653 0.000 2.021 5269 E HA -0.143 4.214 4.350 0.011 0.000 0.200 5269 E C 2.840 179.130 176.600 -0.517 0.000 1.015 5269 E CA 1.392 57.467 56.400 -0.542 0.000 0.824 5269 E CB -0.439 28.958 29.700 -0.504 0.000 0.762 5269 E HN 0.319 nan 8.360 nan 0.000 0.454 5270 A N 0.049 122.513 122.820 -0.594 0.000 2.009 5270 A HA -0.241 4.086 4.320 0.011 0.000 0.222 5270 A C 1.984 178.977 177.584 -0.984 0.000 1.175 5270 A CA 1.931 53.514 52.037 -0.757 0.000 0.651 5270 A CB -1.072 17.475 19.000 -0.755 0.000 0.815 5270 A HN 0.507 nan 8.150 nan 0.000 0.459 5271 Y N -0.994 118.978 120.300 -0.547 0.000 2.200 5271 Y HA -0.101 4.456 4.550 0.011 0.000 0.290 5271 Y C 2.250 177.979 175.900 -0.286 0.000 1.137 5271 Y CA 1.007 58.875 58.100 -0.386 0.000 1.163 5271 Y CB -0.775 37.619 38.460 -0.110 0.000 0.988 5271 Y HN 0.373 nan 8.280 nan 0.000 0.518 5272 L N -0.731 120.415 121.223 -0.128 0.000 2.027 5272 L HA -0.131 4.215 4.340 0.011 0.000 0.206 5272 L C 2.478 179.279 176.870 -0.115 0.000 1.074 5272 L CA 2.016 56.811 54.840 -0.076 0.000 0.745 5272 L CB -1.491 40.518 42.059 -0.082 0.000 0.898 5272 L HN 0.161 nan 8.230 nan 0.000 0.433 5273 S N -1.227 114.327 115.700 -0.244 0.000 2.389 5273 S HA -0.272 4.205 4.470 0.011 0.000 0.229 5273 S C 1.857 176.305 174.600 -0.253 0.000 1.048 5273 S CA 1.913 59.941 58.200 -0.287 0.000 1.117 5273 S CB -0.522 62.421 63.200 -0.428 0.000 1.020 5273 S HN 0.568 nan 8.310 nan 0.000 0.430 5274 Y N 1.514 121.718 120.300 -0.161 0.000 2.194 5274 Y HA -0.044 4.512 4.550 0.009 0.000 0.239 5274 Y C 3.001 178.897 175.900 -0.005 0.000 1.040 5274 Y CA 0.722 58.767 58.100 -0.093 0.000 1.036 5274 Y CB -1.562 36.889 38.460 -0.014 0.000 0.992 5274 Y HN 0.221 nan 8.280 nan 0.000 0.486 5275 S N 0.286 116.142 115.700 0.259 0.000 2.654 5275 S HA -0.337 4.139 4.470 0.011 0.000 0.329 5275 S C 2.101 176.779 174.600 0.130 0.000 1.311 5275 S CA 2.076 60.375 58.200 0.165 0.000 1.122 5275 S CB -1.134 62.144 63.200 0.129 0.000 1.159 5275 S HN 0.527 nan 8.310 nan 0.000 0.443 5276 L N 0.716 121.985 121.223 0.077 0.000 2.131 5276 L HA -0.040 4.307 4.340 0.011 0.000 0.210 5276 L C 1.966 178.921 176.870 0.142 0.000 1.092 5276 L CA 1.621 56.488 54.840 0.046 0.000 0.759 5276 L CB -0.650 41.345 42.059 -0.108 0.000 0.903 5276 L HN 0.436 nan 8.230 nan 0.000 0.435 5277 G N -1.591 107.342 108.800 0.223 0.000 3.210 5277 G HA2 0.198 4.165 3.960 0.011 0.000 0.220 5277 G HA3 0.198 4.165 3.960 0.011 0.000 0.220 5277 G C 1.097 176.112 174.900 0.192 0.000 1.200 5277 G CA 0.443 45.726 45.100 0.306 0.000 0.834 5277 G HN 0.539 nan 8.290 nan 0.000 0.524 5278 A N -0.257 122.663 122.820 0.167 0.000 2.140 5278 A HA 0.433 4.760 4.320 0.011 0.000 0.209 5278 A C 2.090 179.743 177.584 0.114 0.000 1.181 5278 A CA 0.110 52.223 52.037 0.126 0.000 0.824 5278 A CB 0.062 19.134 19.000 0.120 0.000 0.879 5278 A HN 0.300 nan 8.150 nan 0.000 0.480 5279 L N -1.156 120.157 121.223 0.149 0.000 2.022 5279 L HA -0.066 4.281 4.340 0.011 0.000 0.204 5279 L C 2.724 179.615 176.870 0.033 0.000 1.076 5279 L CA 1.256 56.179 54.840 0.138 0.000 0.749 5279 L CB -0.889 41.358 42.059 0.313 0.000 0.903 5279 L HN 0.407 nan 8.230 nan 0.000 0.439 5280 S N 0.330 116.078 115.700 0.080 0.000 2.422 5280 S HA -0.404 4.073 4.470 0.011 0.000 0.248 5280 S C 2.124 176.503 174.600 -0.368 0.000 1.069 5280 S CA 2.756 60.861 58.200 -0.159 0.000 1.214 5280 S CB -0.467 62.691 63.200 -0.071 0.000 1.122 5280 S HN 0.423 nan 8.310 nan 0.000 0.432 5281 M N 0.106 119.624 119.600 -0.137 0.000 2.110 5281 M HA -0.224 4.263 4.480 0.011 0.000 0.257 5281 M C 2.323 178.649 176.300 0.043 0.000 1.071 5281 M CA 2.739 58.039 55.300 -0.001 0.000 1.096 5281 M CB -0.380 32.277 32.600 0.095 0.000 1.300 5281 M HN 0.551 nan 8.290 nan 0.000 0.411 5282 M N 0.229 119.861 119.600 0.054 0.000 2.106 5282 M HA -0.137 4.349 4.480 0.011 0.000 0.259 5282 M C 2.013 178.367 176.300 0.090 0.000 1.068 5282 M CA 2.376 57.734 55.300 0.097 0.000 1.100 5282 M CB -0.689 31.966 32.600 0.092 0.000 1.351 5282 M HN 0.568 nan 8.290 nan 0.000 0.404 5283 G N -0.755 108.043 108.800 -0.003 0.000 2.422 5283 G HA2 -0.215 3.752 3.960 0.011 0.000 0.218 5283 G HA3 -0.215 3.752 3.960 0.011 0.000 0.218 5283 G C 1.111 176.115 174.900 0.172 0.000 1.146 5283 G CA 0.637 45.760 45.100 0.038 0.000 0.769 5283 G HN 0.387 nan 8.290 nan 0.000 0.547 5284 F N 1.215 121.193 119.950 0.046 0.000 2.102 5284 F HA 0.079 4.613 4.527 0.012 0.000 0.298 5284 F C 2.718 178.499 175.800 -0.032 0.000 1.105 5284 F CA -0.037 57.932 58.000 -0.051 0.000 1.239 5284 F CB -0.874 38.059 39.000 -0.111 0.000 0.991 5284 F HN 0.068 nan 8.300 nan 0.000 0.474 5285 I N -0.319 120.390 120.570 0.232 0.000 2.623 5285 I HA -0.326 3.851 4.170 0.011 0.000 0.261 5285 I C 2.329 178.584 176.117 0.230 0.000 1.204 5285 I CA 1.035 62.438 61.300 0.171 0.000 1.444 5285 I CB -0.802 37.326 38.000 0.213 0.000 1.094 5285 I HN 0.091 nan 8.210 nan 0.000 0.451 5286 A N 0.439 123.387 122.820 0.214 0.000 1.859 5286 A HA -0.078 4.249 4.320 0.011 0.000 0.212 5286 A C 2.337 180.005 177.584 0.141 0.000 1.238 5286 A CA 1.476 53.626 52.037 0.188 0.000 0.613 5286 A CB -1.043 18.055 19.000 0.165 0.000 0.904 5286 A HN 0.248 nan 8.150 nan 0.000 0.457 5287 T N -0.690 113.947 114.554 0.139 0.000 2.714 5287 T HA -0.256 4.101 4.350 0.011 0.000 0.268 5287 T C 1.793 176.535 174.700 0.071 0.000 1.036 5287 T CA 1.800 63.959 62.100 0.099 0.000 1.148 5287 T CB -0.714 68.253 68.868 0.165 0.000 0.856 5287 T HN 0.519 nan 8.240 nan 0.000 0.462 5288 C N -0.207 119.119 119.300 0.044 0.000 2.481 5288 C HA 0.246 4.713 4.460 0.011 0.000 0.275 5288 C C 2.125 177.166 174.990 0.085 0.000 1.419 5288 C CA -0.277 58.724 59.018 -0.028 0.000 1.773 5288 C CB -1.568 26.057 27.740 -0.193 0.000 1.862 5288 C HN 0.657 nan 8.230 nan 0.000 0.530 5289 F N -1.017 118.928 119.950 -0.007 0.000 2.383 5289 F HA 0.085 4.619 4.527 0.011 0.000 0.287 5289 F C 2.137 177.881 175.800 -0.092 0.000 1.069 5289 F CA 0.693 58.698 58.000 0.009 0.000 1.402 5289 F CB 0.017 39.046 39.000 0.048 0.000 1.116 5289 F HN -0.069 nan 8.300 nan 0.000 0.549 5290 V N 0.562 120.467 119.914 -0.014 0.000 3.141 5290 V HA -0.237 3.889 4.120 0.011 0.000 0.265 5290 V C 1.480 177.480 176.094 -0.156 0.000 1.126 5290 V CA 1.318 63.263 62.300 -0.593 0.000 1.141 5290 V CB -0.452 31.029 31.823 -0.570 0.000 0.743 5290 V HN 0.646 nan 8.190 nan 0.000 0.492 5291 W N -1.513 119.735 121.300 -0.087 0.000 2.812 5291 W HA 0.033 4.702 4.660 0.016 0.000 0.263 5291 W C 1.563 178.020 176.519 -0.104 0.000 1.284 5291 W CA 0.251 57.559 57.345 -0.063 0.000 1.430 5291 W CB 0.220 29.725 29.460 0.076 0.000 1.088 5291 W HN 0.369 nan 8.180 nan 0.000 0.623 5292 F N -0.049 119.899 119.950 -0.003 0.000 2.653 5292 F HA 0.140 4.674 4.527 0.012 0.000 0.288 5292 F C 0.742 176.522 175.800 -0.033 0.000 1.121 5292 F CA 0.043 57.987 58.000 -0.093 0.000 1.384 5292 F CB -0.226 38.719 39.000 -0.091 0.000 1.115 5292 F HN -0.348 nan 8.300 nan 0.000 0.599 5293 N N 0.372 119.227 118.700 0.257 0.000 2.456 5293 N HA 0.097 4.844 4.740 0.011 0.000 0.288 5293 N C 0.289 175.967 175.510 0.279 0.000 1.059 5293 N CA 0.070 53.303 53.050 0.305 0.000 0.946 5293 N CB 0.677 39.487 38.487 0.538 0.000 1.150 5293 N HN -0.129 nan 8.380 nan 0.000 0.479 5294 N N 1.388 120.251 118.700 0.273 0.000 2.325 5294 N HA 0.010 4.757 4.740 0.011 0.000 0.182 5294 N C 0.594 176.309 175.510 0.342 0.000 1.088 5294 N CA 0.459 53.685 53.050 0.295 0.000 0.879 5294 N CB 0.467 39.162 38.487 0.347 0.000 0.983 5294 N HN 0.515 nan 8.380 nan 0.000 0.471 5295 T N 0.288 115.041 114.554 0.332 0.000 2.643 5295 T HA -0.065 4.291 4.350 0.011 0.000 0.256 5295 T C 1.852 176.679 174.700 0.212 0.000 1.061 5295 T CA 1.812 64.084 62.100 0.286 0.000 1.163 5295 T CB -0.191 68.764 68.868 0.145 0.000 0.865 5295 T HN 0.173 nan 8.240 nan 0.000 0.407 5296 V N -1.663 118.337 119.914 0.143 0.000 3.380 5296 V HA 0.215 4.342 4.120 0.011 0.000 0.268 5296 V C -0.084 175.762 176.094 -0.412 0.000 1.168 5296 V CA 0.610 62.843 62.300 -0.113 0.000 1.156 5296 V CB -1.113 30.566 31.823 -0.239 0.000 0.785 5296 V HN 0.495 nan 8.190 nan 0.000 0.487 5297 Y N -0.409 119.907 120.300 0.026 0.000 2.563 5297 Y HA 0.479 5.037 4.550 0.013 0.000 0.351 5297 Y C -2.067 173.889 175.900 0.093 0.000 1.087 5297 Y CA -1.958 56.015 58.100 -0.212 0.000 1.272 5297 Y CB 1.517 39.576 38.460 -0.669 0.000 1.095 5297 Y HN 0.067 nan 8.280 nan 0.000 0.620 5298 P HA -0.215 nan 4.420 nan 0.000 0.219 5298 P C 0.848 178.213 177.300 0.108 0.000 1.144 5298 P CA 2.307 65.499 63.100 0.153 0.000 0.806 5298 P CB 0.291 31.866 31.700 -0.208 0.000 0.771 5299 S N -2.972 112.857 115.700 0.216 0.000 2.361 5299 S HA -0.252 4.224 4.470 0.011 0.000 0.247 5299 S C 1.093 175.751 174.600 0.097 0.000 1.218 5299 S CA 1.682 59.920 58.200 0.064 0.000 1.502 5299 S CB -1.966 61.150 63.200 -0.140 0.000 1.893 5299 S HN 0.389 nan 8.310 nan 0.000 0.610 5300 E N -0.394 119.761 120.200 -0.075 0.000 2.435 5300 E HA 0.202 4.559 4.350 0.011 0.000 0.195 5300 E C 1.081 177.691 176.600 0.016 0.000 1.029 5300 E CA 0.798 57.142 56.400 -0.093 0.000 0.865 5300 E CB 0.040 29.441 29.700 -0.499 0.000 0.833 5300 E HN 0.696 nan 8.360 nan 0.000 0.510 5301 F N -2.019 118.000 119.950 0.115 0.000 2.699 5301 F HA 0.275 4.809 4.527 0.011 0.000 0.295 5301 F C 0.342 176.060 175.800 -0.136 0.000 1.052 5301 F CA -0.479 57.447 58.000 -0.124 0.000 1.239 5301 F CB -0.109 38.659 39.000 -0.387 0.000 1.018 5301 F HN -0.143 nan 8.300 nan 0.000 0.627 5302 Y N -0.374 120.130 120.300 0.341 0.000 2.699 5302 Y HA 0.682 5.239 4.550 0.012 0.000 0.326 5302 Y C 1.148 177.091 175.900 0.072 0.000 1.141 5302 Y CA -1.381 56.863 58.100 0.240 0.000 1.246 5302 Y CB -0.123 38.437 38.460 0.167 0.000 1.426 5302 Y HN -0.107 nan 8.280 nan 0.000 0.559 5303 G N 0.310 109.154 108.800 0.074 0.000 2.588 5303 G HA2 0.435 4.402 3.960 0.011 0.000 0.281 5303 G HA3 0.435 4.402 3.960 0.011 0.000 0.281 5303 G C -2.757 171.862 174.900 -0.468 0.000 1.236 5303 G CA -1.613 43.265 45.100 -0.370 0.000 0.969 5303 G HN 0.317 nan 8.290 nan 0.000 0.504 5304 P HA 0.134 nan 4.420 nan 0.000 0.276 5304 P C 0.136 177.107 177.300 -0.547 0.000 1.230 5304 P CA -0.010 62.617 63.100 -0.788 0.000 0.776 5304 P CB 1.027 32.067 31.700 -1.100 0.000 0.888 5305 T N 2.552 116.810 114.554 -0.494 0.000 2.934 5305 T HA 0.130 4.487 4.350 0.011 0.000 0.306 5305 T C 2.009 176.211 174.700 -0.830 0.000 1.042 5305 T CA 0.919 62.629 62.100 -0.650 0.000 1.145 5305 T CB -0.302 68.250 68.868 -0.527 0.000 0.982 5305 T HN 0.550 nan 8.240 nan 0.000 0.544 5306 G N 7.012 115.117 108.800 -1.159 0.000 2.843 5306 G HA2 -0.255 3.712 3.960 0.011 0.000 0.232 5306 G HA3 -0.255 3.712 3.960 0.011 0.000 0.232 5306 G C -0.962 173.399 174.900 -0.898 0.000 1.186 5306 G CA 1.391 45.875 45.100 -1.028 0.000 0.766 5306 G HN 0.646 nan 8.290 nan 0.000 0.647 5307 P HA -0.023 nan 4.420 nan 0.000 0.215 5307 P C 1.638 178.504 177.300 -0.724 0.000 1.153 5307 P CA 1.578 63.781 63.100 -1.495 0.000 0.853 5307 P CB -0.101 30.751 31.700 -1.412 0.000 0.788 5308 E N -0.250 119.392 120.200 -0.929 0.000 2.086 5308 E HA -0.295 4.061 4.350 0.011 0.000 0.200 5308 E C 1.799 178.120 176.600 -0.465 0.000 1.012 5308 E CA 1.545 57.251 56.400 -1.156 0.000 0.812 5308 E CB -0.641 28.526 29.700 -0.889 0.000 0.743 5308 E HN 0.053 nan 8.360 nan 0.000 0.453 5309 A N 0.544 123.138 122.820 -0.377 0.000 1.849 5309 A HA -0.269 4.057 4.320 0.011 0.000 0.216 5309 A C 2.366 179.892 177.584 -0.097 0.000 1.225 5309 A CA 2.196 54.110 52.037 -0.205 0.000 0.653 5309 A CB -1.386 17.493 19.000 -0.202 0.000 0.844 5309 A HN 0.356 nan 8.150 nan 0.000 0.453 5310 S N -1.130 114.567 115.700 -0.006 0.000 2.571 5310 S HA -0.122 4.355 4.470 0.011 0.000 0.245 5310 S C 1.736 176.357 174.600 0.035 0.000 0.976 5310 S CA 1.278 59.514 58.200 0.060 0.000 0.954 5310 S CB -0.402 62.903 63.200 0.176 0.000 0.756 5310 S HN 0.543 nan 8.310 nan 0.000 0.535 5311 Q N -0.498 119.294 119.800 -0.014 0.000 2.442 5311 Q HA 0.309 4.655 4.340 0.011 0.000 0.228 5311 Q C 2.455 178.418 176.000 -0.062 0.000 0.902 5311 Q CA 0.933 56.672 55.803 -0.107 0.000 0.933 5311 Q CB -0.560 28.102 28.738 -0.127 0.000 1.071 5311 Q HN 0.548 nan 8.270 nan 0.000 0.562 5312 A N 1.370 124.224 122.820 0.057 0.000 1.902 5312 A HA -0.247 4.080 4.320 0.011 0.000 0.217 5312 A C 2.075 179.633 177.584 -0.044 0.000 1.181 5312 A CA 1.781 53.789 52.037 -0.049 0.000 0.623 5312 A CB -0.585 18.279 19.000 -0.226 0.000 0.818 5312 A HN 0.376 nan 8.150 nan 0.000 0.443 5313 Q N -0.461 119.321 119.800 -0.030 0.000 2.030 5313 Q HA -0.210 4.137 4.340 0.011 0.000 0.204 5313 Q C 2.278 178.325 176.000 0.077 0.000 0.986 5313 Q CA 1.860 57.665 55.803 0.003 0.000 0.843 5313 Q CB -0.408 28.273 28.738 -0.095 0.000 0.904 5313 Q HN 0.607 nan 8.270 nan 0.000 0.420 5314 A N 1.046 123.886 122.820 0.033 0.000 1.852 5314 A HA -0.327 3.999 4.320 0.011 0.000 0.217 5314 A C 2.077 179.870 177.584 0.349 0.000 1.215 5314 A CA 2.319 54.462 52.037 0.177 0.000 0.641 5314 A CB -1.048 18.032 19.000 0.134 0.000 0.838 5314 A HN 0.590 nan 8.150 nan 0.000 0.450 5315 M N -0.047 119.695 119.600 0.235 0.000 2.103 5315 M HA -0.193 4.294 4.480 0.011 0.000 0.255 5315 M C 2.012 178.492 176.300 0.298 0.000 1.074 5315 M CA 2.821 58.372 55.300 0.418 0.000 1.090 5315 M CB -1.209 31.611 32.600 0.368 0.000 1.325 5315 M HN 0.493 nan 8.290 nan 0.000 0.403 5316 T N -0.125 114.559 114.554 0.216 0.000 2.684 5316 T HA -0.126 4.231 4.350 0.011 0.000 0.267 5316 T C 1.446 176.266 174.700 0.201 0.000 1.036 5316 T CA 1.863 64.064 62.100 0.167 0.000 1.148 5316 T CB -0.535 68.435 68.868 0.171 0.000 0.863 5316 T HN 0.340 nan 8.240 nan 0.000 0.436 5317 F N 0.730 120.735 119.950 0.092 0.000 2.456 5317 F HA 0.274 4.809 4.527 0.012 0.000 0.298 5317 F C 2.020 177.954 175.800 0.223 0.000 1.104 5317 F CA -0.383 57.683 58.000 0.110 0.000 1.435 5317 F CB -0.647 38.381 39.000 0.047 0.000 1.078 5317 F HN 0.069 nan 8.300 nan 0.000 0.546 5318 L N -0.235 121.264 121.223 0.460 0.000 2.083 5318 L HA -0.210 4.137 4.340 0.011 0.000 0.209 5318 L C 2.051 179.081 176.870 0.267 0.000 1.083 5318 L CA 1.565 56.692 54.840 0.477 0.000 0.752 5318 L CB -0.246 42.047 42.059 0.390 0.000 0.899 5318 L HN 0.112 nan 8.230 nan 0.000 0.433 5319 I N -0.753 119.932 120.570 0.191 0.000 2.277 5319 I HA -0.250 3.927 4.170 0.011 0.000 0.243 5319 I C 2.724 178.860 176.117 0.033 0.000 1.094 5319 I CA 0.781 62.129 61.300 0.080 0.000 1.393 5319 I CB -0.461 37.567 38.000 0.047 0.000 1.078 5319 I HN 0.244 nan 8.210 nan 0.000 0.417 5320 R N 1.153 121.648 120.500 -0.009 0.000 2.113 5320 R HA -0.247 4.100 4.340 0.011 0.000 0.244 5320 R C 1.703 177.999 176.300 -0.008 0.000 1.142 5320 R CA 2.547 58.593 56.100 -0.090 0.000 0.953 5320 R CB -0.232 29.886 30.300 -0.303 0.000 0.860 5320 R HN 0.377 nan 8.270 nan 0.000 0.438 5321 D N -0.580 119.880 120.400 0.101 0.000 2.149 5321 D HA -0.150 4.497 4.640 0.011 0.000 0.206 5321 D C 1.833 178.143 176.300 0.015 0.000 0.967 5321 D CA 0.711 54.783 54.000 0.120 0.000 0.848 5321 D CB -0.549 40.468 40.800 0.362 0.000 0.998 5321 D HN 0.316 nan 8.370 nan 0.000 0.474 5322 Q N 0.764 120.548 119.800 -0.026 0.000 2.152 5322 Q HA -0.230 4.117 4.340 0.011 0.000 0.206 5322 Q C 1.950 177.923 176.000 -0.045 0.000 0.985 5322 Q CA 1.561 57.313 55.803 -0.084 0.000 0.863 5322 Q CB 0.048 28.739 28.738 -0.079 0.000 0.904 5322 Q HN 0.116 nan 8.270 nan 0.000 0.422 5323 K N -0.268 120.118 120.400 -0.023 0.000 2.217 5323 K HA -0.090 4.237 4.320 0.011 0.000 0.202 5323 K C 1.738 178.325 176.600 -0.022 0.000 1.051 5323 K CA 0.423 56.696 56.287 -0.024 0.000 0.952 5323 K CB 0.108 32.593 32.500 -0.025 0.000 0.736 5323 K HN 0.189 nan 8.250 nan 0.000 0.453 5324 L N -0.438 120.776 121.223 -0.015 0.000 2.554 5324 L HA 0.136 4.483 4.340 0.011 0.000 0.226 5324 L C 0.809 177.672 176.870 -0.011 0.000 1.137 5324 L CA 1.215 56.049 54.840 -0.010 0.000 0.863 5324 L CB 0.686 42.747 42.059 0.003 0.000 0.985 5324 L HN 0.434 nan 8.230 nan 0.000 0.451 5325 G N -1.881 106.906 108.800 -0.023 0.000 2.159 5325 G HA2 -0.095 3.872 3.960 0.011 0.000 0.170 5325 G HA3 -0.095 3.872 3.960 0.011 0.000 0.170 5325 G C 0.295 175.170 174.900 -0.042 0.000 1.007 5325 G CA -0.151 44.932 45.100 -0.029 0.000 0.672 5325 G HN 0.611 nan 8.290 nan 0.000 0.507 5326 A N 0.532 123.314 122.820 -0.063 0.000 2.293 5326 A HA 0.668 4.994 4.320 0.011 0.000 0.302 5326 A C 1.437 178.920 177.584 -0.169 0.000 1.119 5326 A CA 0.354 52.328 52.037 -0.105 0.000 0.823 5326 A CB 0.369 19.296 19.000 -0.121 0.000 1.097 5326 A HN 0.708 nan 8.150 nan 0.000 0.491 5327 N N 1.178 119.781 118.700 -0.162 0.000 2.396 5327 N HA -0.134 4.612 4.740 0.011 0.000 0.180 5327 N C 1.018 176.384 175.510 -0.240 0.000 1.028 5327 N CA 1.610 54.568 53.050 -0.155 0.000 0.893 5327 N CB -0.682 37.743 38.487 -0.103 0.000 0.967 5327 N HN 0.818 nan 8.380 nan 0.000 0.440 5328 V N 0.177 119.826 119.914 -0.442 0.000 0.654 5328 V HA -0.413 3.714 4.120 0.011 0.000 0.092 5328 V C 2.287 178.209 176.094 -0.286 0.000 1.273 5328 V CA 2.209 64.104 62.300 -0.675 0.000 3.214 5328 V CB -2.217 29.304 31.823 -0.503 0.000 0.444 5328 V HN 0.431 nan 8.190 nan 0.000 0.438 5329 G N -0.690 108.004 108.800 -0.176 0.000 2.547 5329 G HA2 -0.339 3.628 3.960 0.011 0.000 0.221 5329 G HA3 -0.339 3.628 3.960 0.011 0.000 0.221 5329 G C 1.267 176.134 174.900 -0.054 0.000 1.140 5329 G CA 1.868 46.912 45.100 -0.092 0.000 0.760 5329 G HN 1.291 nan 8.290 nan 0.000 0.583 5330 S N 0.306 115.970 115.700 -0.060 0.000 2.526 5330 S HA 0.630 5.107 4.470 0.011 0.000 0.247 5330 S C 0.488 175.084 174.600 -0.007 0.000 1.076 5330 S CA 0.197 58.380 58.200 -0.029 0.000 1.105 5330 S CB -0.398 62.783 63.200 -0.032 0.000 0.793 5330 S HN 0.592 nan 8.310 nan 0.000 0.458 5331 A N 1.860 124.694 122.820 0.024 0.000 2.280 5331 A HA 0.437 4.764 4.320 0.011 0.000 0.320 5331 A C 0.115 177.770 177.584 0.118 0.000 1.366 5331 A CA -0.519 51.576 52.037 0.096 0.000 0.938 5331 A CB 0.255 19.378 19.000 0.206 0.000 1.157 5331 A HN 0.640 nan 8.150 nan 0.000 0.536 5332 Q N 2.536 122.378 119.800 0.069 0.000 2.244 5332 Q HA 0.278 4.625 4.340 0.011 0.000 0.276 5332 Q C 0.581 176.610 176.000 0.048 0.000 1.122 5332 Q CA 0.193 56.023 55.803 0.047 0.000 0.920 5332 Q CB 0.389 29.142 28.738 0.026 0.000 1.186 5332 Q HN 0.792 nan 8.270 nan 0.000 0.393 5333 G N 4.934 113.755 108.800 0.035 0.000 2.476 5333 G HA2 0.204 4.171 3.960 0.011 0.000 0.269 5333 G HA3 0.204 4.171 3.960 0.011 0.000 0.269 5333 G C -1.780 173.116 174.900 -0.007 0.000 1.195 5333 G CA -1.279 43.826 45.100 0.008 0.000 0.843 5333 G HN 0.592 nan 8.290 nan 0.000 0.545 5334 P HA -0.313 nan 4.420 nan 0.000 0.226 5334 P C 2.286 179.575 177.300 -0.019 0.000 1.154 5334 P CA 2.766 65.854 63.100 -0.019 0.000 0.918 5334 P CB 0.144 31.826 31.700 -0.030 0.000 0.790 5335 T N -4.078 110.462 114.554 -0.024 0.000 2.812 5335 T HA 0.077 4.434 4.350 0.011 0.000 0.264 5335 T C 1.489 176.177 174.700 -0.019 0.000 1.042 5335 T CA 2.040 64.125 62.100 -0.024 0.000 1.140 5335 T CB -0.555 68.295 68.868 -0.030 0.000 0.870 5335 T HN 0.284 nan 8.240 nan 0.000 0.445 5336 G N -0.367 108.423 108.800 -0.016 0.000 2.902 5336 G HA2 -0.031 3.936 3.960 0.011 0.000 0.215 5336 G HA3 -0.031 3.936 3.960 0.011 0.000 0.215 5336 G C 0.787 175.679 174.900 -0.013 0.000 0.976 5336 G CA 0.244 45.337 45.100 -0.013 0.000 0.794 5336 G HN 0.459 nan 8.290 nan 0.000 0.557 5337 L N 0.412 121.625 121.223 -0.015 0.000 2.130 5337 L HA 0.553 4.899 4.340 0.011 0.000 0.200 5337 L C 1.370 178.238 176.870 -0.002 0.000 1.075 5337 L CA 1.513 56.344 54.840 -0.015 0.000 0.768 5337 L CB 0.226 42.270 42.059 -0.024 0.000 0.933 5337 L HN 0.806 nan 8.230 nan 0.000 0.451 5338 G N -0.699 108.105 108.800 0.006 0.000 2.634 5338 G HA2 -0.078 3.889 3.960 0.011 0.000 0.568 5338 G HA3 -0.078 3.889 3.960 0.011 0.000 0.568 5338 G C -0.297 174.620 174.900 0.027 0.000 1.495 5338 G CA -0.547 44.576 45.100 0.038 0.000 0.903 5338 G HN -0.038 nan 8.290 nan 0.000 0.646 5339 K N 0.791 121.204 120.400 0.022 0.000 1.968 5339 K HA -0.048 4.279 4.320 0.011 0.000 0.215 5339 K C 1.962 178.499 176.600 -0.104 0.000 1.040 5339 K CA 2.075 58.273 56.287 -0.148 0.000 0.959 5339 K CB -0.219 32.006 32.500 -0.458 0.000 0.740 5339 K HN 0.639 nan 8.250 nan 0.000 0.443 5340 Y N 1.035 121.358 120.300 0.039 0.000 2.181 5340 Y HA -0.040 4.517 4.550 0.012 0.000 0.288 5340 Y C 1.196 177.093 175.900 -0.005 0.000 1.146 5340 Y CA 0.116 58.245 58.100 0.049 0.000 1.164 5340 Y CB -0.221 38.262 38.460 0.039 0.000 0.982 5340 Y HN -0.068 nan 8.280 nan 0.000 0.515 5341 L N 0.474 121.795 121.223 0.163 0.000 2.386 5341 L HA 0.514 4.860 4.340 0.011 0.000 0.271 5341 L C -0.471 176.409 176.870 0.017 0.000 0.993 5341 L CA -0.618 54.237 54.840 0.026 0.000 0.819 5341 L CB 2.350 44.391 42.059 -0.031 0.000 1.294 5341 L HN 0.178 nan 8.230 nan 0.000 0.414 5342 M N 1.914 121.509 119.600 -0.009 0.000 2.846 5342 M HA 0.572 5.059 4.480 0.011 0.000 0.282 5342 M C -1.550 174.715 176.300 -0.059 0.000 1.266 5342 M CA -0.763 54.522 55.300 -0.025 0.000 0.766 5342 M CB 2.955 35.545 32.600 -0.015 0.000 1.739 5342 M HN 0.502 nan 8.290 nan 0.000 0.442 5343 R N 0.740 121.189 120.500 -0.085 0.000 2.561 5343 R HA 0.503 4.850 4.340 0.011 0.000 0.297 5343 R C -1.497 174.681 176.300 -0.203 0.000 0.969 5343 R CA -0.285 55.737 56.100 -0.129 0.000 0.879 5343 R CB 2.286 32.525 30.300 -0.100 0.000 1.178 5343 R HN 0.777 nan 8.270 nan 0.000 0.445 5344 S N 3.008 118.506 115.700 -0.337 0.000 2.651 5344 S HA 0.433 4.909 4.470 0.011 0.000 0.291 5344 S C -1.419 172.942 174.600 -0.397 0.000 1.141 5344 S CA -1.763 56.120 58.200 -0.528 0.000 1.027 5344 S CB 1.254 63.737 63.200 -1.195 0.000 1.043 5344 S HN 0.532 nan 8.310 nan 0.000 0.530 5345 P HA -0.082 nan 4.420 nan 0.000 0.215 5345 P C 1.331 178.552 177.300 -0.132 0.000 1.157 5345 P CA 1.888 64.886 63.100 -0.170 0.000 0.863 5345 P CB -0.479 31.163 31.700 -0.096 0.000 0.787 5346 T N -2.229 112.246 114.554 -0.131 0.000 2.837 5346 T HA 0.174 4.531 4.350 0.011 0.000 0.242 5346 T C 1.499 176.201 174.700 0.003 0.000 1.044 5346 T CA 0.513 62.617 62.100 0.007 0.000 1.202 5346 T CB -1.508 67.472 68.868 0.186 0.000 0.905 5346 T HN 0.119 nan 8.240 nan 0.000 0.413 5347 G N 1.763 110.574 108.800 0.019 0.000 2.361 5347 G HA2 0.292 4.259 3.960 0.011 0.000 0.260 5347 G HA3 0.292 4.259 3.960 0.011 0.000 0.260 5347 G C 0.670 175.456 174.900 -0.189 0.000 1.261 5347 G CA -0.210 44.919 45.100 0.048 0.000 0.897 5347 G HN 0.575 nan 8.290 nan 0.000 0.499 5348 E N 2.277 122.432 120.200 -0.076 0.000 2.077 5348 E HA -0.106 4.251 4.350 0.011 0.000 0.193 5348 E C 0.281 176.813 176.600 -0.113 0.000 0.989 5348 E CA 0.745 57.085 56.400 -0.101 0.000 0.800 5348 E CB 0.045 29.716 29.700 -0.048 0.000 0.746 5348 E HN 0.500 nan 8.360 nan 0.000 0.452 5349 I N 1.534 122.069 120.570 -0.058 0.000 2.436 5349 I HA 0.316 4.493 4.170 0.011 0.000 0.289 5349 I C -0.737 175.392 176.117 0.020 0.000 1.010 5349 I CA -1.048 60.228 61.300 -0.041 0.000 1.098 5349 I CB 1.583 39.561 38.000 -0.037 0.000 1.266 5349 I HN 0.070 nan 8.210 nan 0.000 0.434 5350 I N 2.401 122.977 120.570 0.011 0.000 3.149 5350 I HA 0.465 4.642 4.170 0.011 0.000 0.310 5350 I C -0.705 175.464 176.117 0.087 0.000 1.343 5350 I CA -0.958 60.422 61.300 0.133 0.000 0.955 5350 I CB 0.540 38.725 38.000 0.309 0.000 1.309 5350 I HN 0.165 nan 8.210 nan 0.000 0.478 5351 F N 1.222 121.243 119.950 0.118 0.000 2.595 5351 F HA 0.508 5.041 4.527 0.011 0.000 0.359 5351 F C 1.300 177.138 175.800 0.063 0.000 1.147 5351 F CA 0.844 58.907 58.000 0.104 0.000 1.341 5351 F CB 0.499 39.578 39.000 0.131 0.000 1.104 5351 F HN 0.668 nan 8.300 nan 0.000 0.603 5352 G N 0.418 109.333 108.800 0.192 0.000 2.513 5352 G HA2 0.594 4.561 3.960 0.011 0.000 0.317 5352 G HA3 0.594 4.561 3.960 0.011 0.000 0.317 5352 G C -0.322 174.601 174.900 0.040 0.000 1.277 5352 G CA -0.092 45.058 45.100 0.084 0.000 0.955 5352 G HN 0.984 nan 8.290 nan 0.000 0.484 5353 G N 0.594 109.389 108.800 -0.009 0.000 3.262 5353 G HA2 0.214 4.181 3.960 0.011 0.000 0.148 5353 G HA3 0.214 4.181 3.960 0.011 0.000 0.148 5353 G C 0.203 175.056 174.900 -0.078 0.000 1.197 5353 G CA 0.436 45.503 45.100 -0.056 0.000 1.469 5353 G HN 0.584 nan 8.290 nan 0.000 0.717 5354 E N 0.145 120.279 120.200 -0.109 0.000 2.572 5354 E HA 0.088 4.445 4.350 0.011 0.000 0.220 5354 E C 2.207 178.670 176.600 -0.228 0.000 0.945 5354 E CA 0.990 57.305 56.400 -0.142 0.000 1.070 5354 E CB 0.438 30.056 29.700 -0.137 0.000 1.090 5354 E HN 0.440 nan 8.360 nan 0.000 0.506 5355 T N 0.014 114.457 114.554 -0.185 0.000 2.822 5355 T HA -0.300 4.057 4.350 0.011 0.000 0.270 5355 T C 2.047 176.630 174.700 -0.196 0.000 1.064 5355 T CA 1.768 63.742 62.100 -0.210 0.000 1.131 5355 T CB -0.619 68.229 68.868 -0.032 0.000 0.858 5355 T HN 0.342 nan 8.240 nan 0.000 0.483 5356 M N 1.195 120.745 119.600 -0.084 0.000 2.124 5356 M HA -0.270 4.217 4.480 0.011 0.000 0.253 5356 M C 2.382 178.726 176.300 0.073 0.000 1.077 5356 M CA 2.403 57.716 55.300 0.023 0.000 1.085 5356 M CB -1.067 31.522 32.600 -0.019 0.000 1.320 5356 M HN 0.176 nan 8.290 nan 0.000 0.404 5357 R N 0.451 120.863 120.500 -0.147 0.000 2.204 5357 R HA -0.128 4.219 4.340 0.011 0.000 0.253 5357 R C 1.099 177.554 176.300 0.258 0.000 1.172 5357 R CA 1.800 57.857 56.100 -0.071 0.000 0.994 5357 R CB -0.860 29.203 30.300 -0.394 0.000 0.874 5357 R HN 0.571 nan 8.270 nan 0.000 0.462 5358 F N 0.396 120.452 119.950 0.177 0.000 2.750 5358 F HA 0.146 4.678 4.527 0.009 0.000 0.297 5358 F C 1.296 177.215 175.800 0.198 0.000 1.138 5358 F CA -1.249 56.827 58.000 0.128 0.000 1.346 5358 F CB 0.111 39.128 39.000 0.029 0.000 0.965 5358 F HN 0.187 nan 8.300 nan 0.000 0.514 5359 W N 0.951 122.400 121.300 0.248 0.000 2.848 5359 W HA -0.019 4.647 4.660 0.010 0.000 0.241 5359 W C 0.011 176.642 176.519 0.187 0.000 1.289 5359 W CA 0.306 57.777 57.345 0.210 0.000 1.396 5359 W CB -0.696 28.853 29.460 0.148 0.000 1.138 5359 W HN 0.205 nan 8.180 nan 0.000 0.677 5360 D N 0.528 120.698 120.400 -0.383 0.000 2.354 5360 D HA -0.051 4.596 4.640 0.011 0.000 0.209 5360 D C 0.454 176.663 176.300 -0.152 0.000 1.015 5360 D CA -0.051 53.647 54.000 -0.504 0.000 0.867 5360 D CB -0.255 40.298 40.800 -0.411 0.000 0.933 5360 D HN 0.042 nan 8.370 nan 0.000 0.520 5361 F N 3.134 123.019 119.950 -0.108 0.000 2.578 5361 F HA 0.145 4.678 4.527 0.010 0.000 0.376 5361 F C 0.161 175.904 175.800 -0.094 0.000 1.085 5361 F CA -0.149 57.792 58.000 -0.098 0.000 1.260 5361 F CB 0.438 39.379 39.000 -0.099 0.000 1.095 5361 F HN -0.367 nan 8.300 nan 0.000 0.573 5362 R N 4.634 124.429 120.500 -1.174 0.000 2.538 5362 R HA 0.610 4.957 4.340 0.011 0.000 0.292 5362 R C -0.547 175.121 176.300 -1.053 0.000 1.008 5362 R CA -0.795 54.697 56.100 -1.013 0.000 0.896 5362 R CB 1.442 31.613 30.300 -0.215 0.000 1.187 5362 R HN 0.947 nan 8.270 nan 0.000 0.440 5363 G N 1.991 110.094 108.800 -1.161 0.000 2.690 5363 G HA2 0.458 4.425 3.960 0.011 0.000 0.293 5363 G HA3 0.458 4.425 3.960 0.011 0.000 0.293 5363 G C -2.501 171.943 174.900 -0.759 0.000 1.399 5363 G CA -1.167 43.538 45.100 -0.658 0.000 0.890 5363 G HN 0.117 nan 8.290 nan 0.000 0.485 5364 P HA -0.051 nan 4.420 nan 0.000 0.220 5364 P C 1.642 178.894 177.300 -0.080 0.000 1.148 5364 P CA 1.001 63.807 63.100 -0.490 0.000 0.803 5364 P CB 0.106 31.599 31.700 -0.346 0.000 0.782 5365 W N -0.969 120.312 121.300 -0.032 0.000 2.825 5365 W HA 0.113 4.779 4.660 0.010 0.000 0.243 5365 W C 0.450 176.872 176.519 -0.161 0.000 1.293 5365 W CA 0.110 57.393 57.345 -0.102 0.000 1.403 5365 W CB -0.695 28.706 29.460 -0.098 0.000 1.134 5365 W HN -0.038 nan 8.180 nan 0.000 0.666 5366 L N 0.613 121.539 121.223 -0.495 0.000 3.128 5366 L HA 0.261 4.608 4.340 0.011 0.000 0.277 5366 L C 2.079 178.793 176.870 -0.262 0.000 1.171 5366 L CA 0.706 55.276 54.840 -0.451 0.000 1.008 5366 L CB -0.162 41.347 42.059 -0.915 0.000 1.442 5366 L HN -0.369 nan 8.230 nan 0.000 0.584 5367 E N 0.567 120.591 120.200 -0.294 0.000 2.150 5367 E HA -0.061 4.296 4.350 0.011 0.000 0.193 5367 E C -0.638 175.924 176.600 -0.065 0.000 0.985 5367 E CA 1.086 57.377 56.400 -0.182 0.000 0.814 5367 E CB -1.255 28.294 29.700 -0.252 0.000 0.752 5367 E HN 0.398 nan 8.360 nan 0.000 0.466 5368 P HA -0.128 nan 4.420 nan 0.000 0.215 5368 P C 0.705 178.014 177.300 0.015 0.000 1.157 5368 P CA 0.950 64.067 63.100 0.028 0.000 0.874 5368 P CB -0.015 31.735 31.700 0.082 0.000 0.790 5369 L N -0.718 120.505 121.223 -0.000 0.000 2.650 5369 L HA 0.121 4.468 4.340 0.011 0.000 0.239 5369 L C 0.886 177.764 176.870 0.013 0.000 1.412 5369 L CA -0.156 54.690 54.840 0.010 0.000 1.219 5369 L CB -0.875 41.199 42.059 0.025 0.000 1.534 5369 L HN -0.033 nan 8.230 nan 0.000 0.430 5370 R N 0.114 120.622 120.500 0.013 0.000 2.919 5370 R HA 0.865 5.212 4.340 0.011 0.000 0.260 5370 R C -0.360 175.955 176.300 0.025 0.000 1.067 5370 R CA -0.317 55.796 56.100 0.022 0.000 1.003 5370 R CB 1.984 32.297 30.300 0.022 0.000 1.192 5370 R HN 0.128 nan 8.270 nan 0.000 0.488 5371 G N 0.757 109.576 108.800 0.032 0.000 2.727 5371 G HA2 0.410 4.377 3.960 0.011 0.000 0.289 5371 G HA3 0.410 4.377 3.960 0.011 0.000 0.289 5371 G C -2.262 172.661 174.900 0.038 0.000 1.418 5371 G CA -1.195 43.922 45.100 0.028 0.000 0.818 5371 G HN 0.489 nan 8.290 nan 0.000 0.486 5372 P HA -0.073 nan 4.420 nan 0.000 0.211 5372 P C 1.507 178.832 177.300 0.042 0.000 1.179 5372 P CA 0.941 64.062 63.100 0.035 0.000 0.910 5372 P CB 0.253 31.969 31.700 0.026 0.000 0.785 5373 N N -0.844 117.875 118.700 0.032 0.000 2.453 5373 N HA 0.017 4.763 4.740 0.011 0.000 0.183 5373 N C 1.276 176.812 175.510 0.044 0.000 1.041 5373 N CA 1.572 54.640 53.050 0.030 0.000 0.900 5373 N CB 0.072 38.566 38.487 0.011 0.000 0.961 5373 N HN 0.287 nan 8.380 nan 0.000 0.443 5374 G N -0.327 108.503 108.800 0.050 0.000 2.292 5374 G HA2 -0.032 3.935 3.960 0.011 0.000 0.194 5374 G HA3 -0.032 3.935 3.960 0.011 0.000 0.194 5374 G C -1.342 173.582 174.900 0.040 0.000 1.329 5374 G CA -0.847 44.296 45.100 0.071 0.000 1.100 5374 G HN 0.055 nan 8.290 nan 0.000 0.470 5375 L N 2.028 123.264 121.223 0.021 0.000 2.513 5375 L HA 0.224 4.571 4.340 0.011 0.000 0.272 5375 L C 0.189 177.032 176.870 -0.044 0.000 1.187 5375 L CA -0.036 54.786 54.840 -0.031 0.000 0.895 5375 L CB 0.559 42.539 42.059 -0.132 0.000 1.147 5375 L HN 0.562 nan 8.230 nan 0.000 0.483 5376 D N 3.680 124.060 120.400 -0.034 0.000 2.249 5376 D HA 0.007 4.653 4.640 0.011 0.000 0.246 5376 D C 0.863 177.135 176.300 -0.047 0.000 1.114 5376 D CA -0.541 53.441 54.000 -0.031 0.000 0.854 5376 D CB 1.550 42.342 40.800 -0.012 0.000 1.132 5376 D HN 0.448 nan 8.370 nan 0.000 0.461 5377 L N 5.165 126.359 121.223 -0.049 0.000 2.046 5377 L HA -0.191 4.156 4.340 0.011 0.000 0.208 5377 L C 1.336 178.179 176.870 -0.044 0.000 1.077 5377 L CA 1.760 56.566 54.840 -0.056 0.000 0.747 5377 L CB -0.920 41.107 42.059 -0.053 0.000 0.896 5377 L HN 0.440 nan 8.230 nan 0.000 0.432 5378 N N 0.084 118.765 118.700 -0.031 0.000 2.084 5378 N HA -0.179 4.567 4.740 0.011 0.000 0.190 5378 N C 1.711 177.210 175.510 -0.018 0.000 1.030 5378 N CA 1.581 54.617 53.050 -0.022 0.000 0.849 5378 N CB -0.029 38.450 38.487 -0.014 0.000 1.012 5378 N HN 0.377 nan 8.380 nan 0.000 0.423 5379 K N 0.390 120.781 120.400 -0.015 0.000 1.965 5379 K HA -0.069 4.258 4.320 0.011 0.000 0.214 5379 K C 1.848 178.439 176.600 -0.015 0.000 1.042 5379 K CA 0.909 57.191 56.287 -0.008 0.000 0.950 5379 K CB -0.614 31.884 32.500 -0.002 0.000 0.733 5379 K HN 0.014 nan 8.250 nan 0.000 0.441 5380 I N 2.296 122.851 120.570 -0.025 0.000 2.227 5380 I HA -0.366 3.811 4.170 0.011 0.000 0.250 5380 I C 1.974 178.074 176.117 -0.030 0.000 1.087 5380 I CA 1.730 63.012 61.300 -0.029 0.000 1.352 5380 I CB -0.098 37.862 38.000 -0.066 0.000 1.043 5380 I HN 0.180 nan 8.210 nan 0.000 0.425 5381 K N -0.284 120.094 120.400 -0.037 0.000 2.062 5381 K HA -0.061 4.266 4.320 0.011 0.000 0.205 5381 K C 1.314 177.899 176.600 -0.025 0.000 1.051 5381 K CA 1.520 57.784 56.287 -0.039 0.000 0.941 5381 K CB -0.023 32.450 32.500 -0.044 0.000 0.719 5381 K HN 0.481 nan 8.250 nan 0.000 0.440 5382 N N -0.435 118.255 118.700 -0.016 0.000 2.297 5382 N HA -0.007 4.740 4.740 0.011 0.000 0.208 5382 N C 0.210 175.721 175.510 0.001 0.000 1.176 5382 N CA 0.283 53.328 53.050 -0.008 0.000 0.882 5382 N CB 0.638 39.121 38.487 -0.006 0.000 1.134 5382 N HN 0.039 nan 8.380 nan 0.000 0.489 5383 D N 1.105 121.507 120.400 0.004 0.000 2.342 5383 D HA 0.129 4.776 4.640 0.011 0.000 0.221 5383 D C 0.304 176.609 176.300 0.010 0.000 1.101 5383 D CA -0.093 53.916 54.000 0.016 0.000 0.837 5383 D CB 0.994 41.807 40.800 0.022 0.000 0.938 5383 D HN 0.255 nan 8.370 nan 0.000 0.508 5384 I N 1.957 122.523 120.570 -0.006 0.000 2.347 5384 I HA -0.005 4.171 4.170 0.011 0.000 0.294 5384 I C 0.241 176.332 176.117 -0.042 0.000 1.090 5384 I CA -0.239 61.043 61.300 -0.029 0.000 1.314 5384 I CB 0.088 38.079 38.000 -0.014 0.000 1.423 5384 I HN -0.219 nan 8.210 nan 0.000 0.503 5385 Q N 7.622 127.377 119.800 -0.076 0.000 2.316 5385 Q HA 0.264 4.611 4.340 0.011 0.000 0.215 5385 Q C -1.723 174.213 176.000 -0.106 0.000 1.020 5385 Q CA -1.484 54.293 55.803 -0.043 0.000 0.970 5385 Q CB 0.570 29.359 28.738 0.084 0.000 1.187 5385 Q HN 0.478 nan 8.270 nan 0.000 0.546 5386 P HA -0.169 nan 4.420 nan 0.000 0.216 5386 P C 0.920 178.225 177.300 0.009 0.000 1.153 5386 P CA 1.134 64.236 63.100 0.002 0.000 0.844 5386 P CB -0.175 31.558 31.700 0.056 0.000 0.787 5387 W N 0.732 122.027 121.300 -0.007 0.000 2.436 5387 W HA -0.150 4.517 4.660 0.011 0.000 0.261 5387 W C 0.860 177.361 176.519 -0.031 0.000 1.222 5387 W CA 0.835 58.169 57.345 -0.019 0.000 1.191 5387 W CB -1.369 28.087 29.460 -0.007 0.000 1.132 5387 W HN 0.162 nan 8.180 nan 0.000 0.596 5388 Q N 0.738 120.228 119.800 -0.517 0.000 2.226 5388 Q HA -0.114 4.233 4.340 0.011 0.000 0.199 5388 Q C 2.240 178.066 176.000 -0.290 0.000 0.945 5388 Q CA 1.225 56.700 55.803 -0.547 0.000 0.861 5388 Q CB -0.468 27.891 28.738 -0.632 0.000 0.953 5388 Q HN 0.369 nan 8.270 nan 0.000 0.490 5389 E N 1.747 121.831 120.200 -0.193 0.000 2.160 5389 E HA -0.249 4.107 4.350 0.011 0.000 0.195 5389 E C 1.999 178.504 176.600 -0.158 0.000 0.991 5389 E CA 1.377 57.695 56.400 -0.138 0.000 0.810 5389 E CB 0.125 29.774 29.700 -0.086 0.000 0.742 5389 E HN 0.298 nan 8.360 nan 0.000 0.466 5390 R N -0.250 120.164 120.500 -0.142 0.000 2.127 5390 R HA 0.009 4.356 4.340 0.011 0.000 0.217 5390 R C 2.337 178.506 176.300 -0.219 0.000 1.074 5390 R CA 0.935 56.958 56.100 -0.130 0.000 0.991 5390 R CB -0.325 29.941 30.300 -0.058 0.000 0.895 5390 R HN -0.041 nan 8.270 nan 0.000 0.450 5391 R N 1.212 121.533 120.500 -0.299 0.000 2.093 5391 R HA 0.097 4.444 4.340 0.011 0.000 0.224 5391 R C 2.277 178.050 176.300 -0.878 0.000 1.101 5391 R CA 1.400 57.175 56.100 -0.541 0.000 0.979 5391 R CB -0.348 29.678 30.300 -0.457 0.000 0.877 5391 R HN 0.334 nan 8.270 nan 0.000 0.441 5392 A N 0.298 122.667 122.820 -0.751 0.000 1.933 5392 A HA -0.082 4.245 4.320 0.011 0.000 0.218 5392 A C 2.270 179.560 177.584 -0.489 0.000 1.175 5392 A CA 1.710 53.242 52.037 -0.842 0.000 0.628 5392 A CB -0.801 17.890 19.000 -0.515 0.000 0.814 5392 A HN 0.485 nan 8.150 nan 0.000 0.444 5393 A N -0.540 122.096 122.820 -0.306 0.000 1.970 5393 A HA 0.017 4.344 4.320 0.011 0.000 0.216 5393 A C 1.910 179.433 177.584 -0.103 0.000 1.170 5393 A CA 1.755 53.701 52.037 -0.153 0.000 0.645 5393 A CB -0.332 18.607 19.000 -0.101 0.000 0.816 5393 A HN 0.554 nan 8.150 nan 0.000 0.447 5394 E N -0.345 119.757 120.200 -0.163 0.000 2.051 5394 E HA -0.176 4.181 4.350 0.011 0.000 0.192 5394 E C 1.627 178.284 176.600 0.095 0.000 0.991 5394 E CA 1.679 58.048 56.400 -0.052 0.000 0.799 5394 E CB -0.535 29.067 29.700 -0.164 0.000 0.748 5394 E HN 0.758 nan 8.360 nan 0.000 0.449 5395 Y N -0.366 119.758 120.300 -0.294 0.000 2.439 5395 Y HA -0.122 4.436 4.550 0.012 0.000 0.292 5395 Y C 2.432 178.191 175.900 -0.235 0.000 1.130 5395 Y CA 0.493 58.402 58.100 -0.318 0.000 1.254 5395 Y CB -0.147 38.014 38.460 -0.499 0.000 1.000 5395 Y HN 0.219 nan 8.280 nan 0.000 0.554 5396 M N 0.682 120.254 119.600 -0.047 0.000 2.077 5396 M HA -0.182 4.305 4.480 0.011 0.000 0.261 5396 M C 2.469 178.761 176.300 -0.014 0.000 1.070 5396 M CA 2.330 57.607 55.300 -0.038 0.000 1.125 5396 M CB -0.324 32.272 32.600 -0.006 0.000 1.339 5396 M HN 0.250 nan 8.290 nan 0.000 0.409 5397 T N -0.802 113.763 114.554 0.018 0.000 2.523 5397 T HA -0.204 4.153 4.350 0.011 0.000 0.253 5397 T C 0.425 175.058 174.700 -0.111 0.000 1.139 5397 T CA 1.345 63.425 62.100 -0.032 0.000 1.230 5397 T CB -1.396 67.448 68.868 -0.039 0.000 0.871 5397 T HN 0.557 nan 8.240 nan 0.000 0.396 5398 H N 3.111 122.020 119.070 -0.270 0.000 3.444 5398 H HA 0.545 5.107 4.556 0.011 0.000 0.224 5398 H C 0.253 175.428 175.328 -0.254 0.000 1.034 5398 H CA 0.420 56.147 56.048 -0.535 0.000 1.416 5398 H CB -1.045 28.303 29.762 -0.690 0.000 1.591 5398 H HN 0.748 nan 8.280 nan 0.000 0.522 5399 A N 4.445 127.279 122.820 0.025 0.000 2.380 5399 A HA 0.516 4.843 4.320 0.011 0.000 0.315 5399 A C -2.296 175.376 177.584 0.146 0.000 1.101 5399 A CA -2.146 49.905 52.037 0.024 0.000 0.771 5399 A CB 1.156 20.143 19.000 -0.021 0.000 1.287 5399 A HN 0.316 nan 8.150 nan 0.000 0.436 5400 P HA 0.138 nan 4.420 nan 0.000 0.251 5400 P C -1.109 176.240 177.300 0.081 0.000 1.624 5400 P CA 0.600 63.717 63.100 0.027 0.000 0.907 5400 P CB -0.341 31.268 31.700 -0.151 0.000 1.867 5401 L N 1.114 122.382 121.223 0.074 0.000 2.406 5401 L HA 0.704 5.051 4.340 0.011 0.000 0.270 5401 L C 0.621 177.503 176.870 0.020 0.000 0.982 5401 L CA 0.010 54.874 54.840 0.040 0.000 0.843 5401 L CB 1.542 43.626 42.059 0.042 0.000 1.225 5401 L HN 0.167 nan 8.230 nan 0.000 0.412 5402 G N 1.286 110.057 108.800 -0.047 0.000 2.623 5402 G HA2 0.556 4.523 3.960 0.011 0.000 0.290 5402 G HA3 0.556 4.523 3.960 0.011 0.000 0.290 5402 G C -1.066 173.784 174.900 -0.083 0.000 1.437 5402 G CA -0.345 44.727 45.100 -0.046 0.000 0.798 5402 G HN 0.470 nan 8.290 nan 0.000 0.488 5403 S N -0.374 115.308 115.700 -0.030 0.000 2.654 5403 S HA 0.495 4.972 4.470 0.011 0.000 0.283 5403 S C 1.434 176.041 174.600 0.011 0.000 1.180 5403 S CA -0.843 57.344 58.200 -0.022 0.000 1.021 5403 S CB 1.581 64.787 63.200 0.010 0.000 1.018 5403 S HN 0.522 nan 8.310 nan 0.000 0.532 5404 L N 1.393 122.629 121.223 0.021 0.000 2.081 5404 L HA -0.184 4.163 4.340 0.011 0.000 0.212 5404 L C 2.897 179.864 176.870 0.163 0.000 1.080 5404 L CA 1.611 56.521 54.840 0.117 0.000 0.754 5404 L CB -0.855 41.259 42.059 0.091 0.000 0.893 5404 L HN 0.886 nan 8.230 nan 0.000 0.433 5405 N N 0.388 119.147 118.700 0.098 0.000 2.184 5405 N HA -0.262 4.484 4.740 0.011 0.000 0.190 5405 N C 0.843 176.429 175.510 0.127 0.000 1.011 5405 N CA 1.598 54.704 53.050 0.093 0.000 0.867 5405 N CB 0.098 38.623 38.487 0.063 0.000 0.993 5405 N HN 0.275 nan 8.380 nan 0.000 0.433 5406 S N -1.896 113.897 115.700 0.156 0.000 3.305 5406 S HA -0.131 4.345 4.470 0.011 0.000 0.279 5406 S C -0.353 174.333 174.600 0.143 0.000 1.292 5406 S CA 0.594 58.916 58.200 0.203 0.000 0.914 5406 S CB -1.980 61.358 63.200 0.230 0.000 1.125 5406 S HN 0.398 nan 8.310 nan 0.000 0.668 5407 V N 2.640 122.614 119.914 0.101 0.000 2.299 5407 V HA 0.612 4.739 4.120 0.011 0.000 0.255 5407 V C 0.984 177.129 176.094 0.086 0.000 1.100 5407 V CA 0.411 62.763 62.300 0.087 0.000 0.938 5407 V CB 0.046 31.906 31.823 0.062 0.000 1.139 5407 V HN 0.562 nan 8.190 nan 0.000 0.490 5408 G N 4.739 113.615 108.800 0.125 0.000 2.254 5408 G HA2 0.504 4.470 3.960 0.011 0.000 0.253 5408 G HA3 0.504 4.470 3.960 0.011 0.000 0.253 5408 G C 0.382 175.348 174.900 0.110 0.000 1.246 5408 G CA 0.669 45.860 45.100 0.152 0.000 0.946 5408 G HN 1.666 nan 8.290 nan 0.000 0.474 5409 G N 0.175 109.023 108.800 0.080 0.000 2.356 5409 G HA2 0.399 4.366 3.960 0.011 0.000 0.288 5409 G HA3 0.399 4.366 3.960 0.011 0.000 0.288 5409 G C -0.398 174.519 174.900 0.027 0.000 1.302 5409 G CA -0.278 44.850 45.100 0.047 0.000 0.887 5409 G HN 1.120 nan 8.290 nan 0.000 0.521 5410 V N 0.900 120.822 119.914 0.015 0.000 3.367 5410 V HA 0.329 4.456 4.120 0.011 0.000 0.304 5410 V C 2.418 178.515 176.094 0.004 0.000 1.131 5410 V CA 1.126 63.429 62.300 0.006 0.000 1.233 5410 V CB 0.413 32.235 31.823 -0.001 0.000 1.021 5410 V HN 2.026 nan 8.190 nan 0.000 0.497 5411 A N 1.923 124.741 122.820 -0.002 0.000 1.948 5411 A HA -0.124 4.203 4.320 0.011 0.000 0.220 5411 A C 1.548 179.131 177.584 -0.002 0.000 1.177 5411 A CA 2.188 54.222 52.037 -0.006 0.000 0.636 5411 A CB -0.752 18.241 19.000 -0.011 0.000 0.815 5411 A HN 1.189 nan 8.150 nan 0.000 0.449 5412 T N -1.616 112.938 114.554 -0.001 0.000 3.326 5412 T HA 0.529 4.886 4.350 0.011 0.000 0.274 5412 T C -0.532 174.170 174.700 0.004 0.000 1.608 5412 T CA -0.357 61.743 62.100 0.001 0.000 1.433 5412 T CB 0.390 69.256 68.868 -0.002 0.000 1.034 5412 T HN 0.289 nan 8.240 nan 0.000 0.694 5413 E N 1.314 121.519 120.200 0.009 0.000 2.222 5413 E HA 0.615 4.972 4.350 0.011 0.000 0.267 5413 E C -0.252 176.357 176.600 0.014 0.000 0.963 5413 E CA -1.118 55.288 56.400 0.011 0.000 0.837 5413 E CB 1.099 30.808 29.700 0.015 0.000 1.183 5413 E HN 0.491 nan 8.360 nan 0.000 0.403 5414 I N 2.598 123.176 120.570 0.014 0.000 2.882 5414 I HA 0.067 4.244 4.170 0.011 0.000 0.286 5414 I C 0.155 176.285 176.117 0.022 0.000 1.139 5414 I CA -0.395 60.915 61.300 0.016 0.000 1.379 5414 I CB 0.461 38.469 38.000 0.013 0.000 1.410 5414 I HN 0.487 nan 8.210 nan 0.000 0.594 5415 N N 2.887 121.601 118.700 0.024 0.000 2.497 5415 N HA 0.246 4.993 4.740 0.011 0.000 0.268 5415 N C -0.043 175.485 175.510 0.029 0.000 1.171 5415 N CA 0.148 53.216 53.050 0.030 0.000 0.948 5415 N CB 1.376 39.881 38.487 0.030 0.000 1.069 5415 N HN 0.619 nan 8.380 nan 0.000 0.460 5416 S N -0.015 115.706 115.700 0.035 0.000 7.218 5416 S HA -0.016 4.461 4.470 0.011 0.000 0.058 5416 S C -1.143 173.481 174.600 0.040 0.000 1.508 5416 S CA -0.351 57.868 58.200 0.031 0.000 0.976 5416 S CB -0.816 62.397 63.200 0.022 0.000 1.104 5416 S HN 0.342 nan 8.310 nan 0.000 0.545 5417 V N 5.276 125.210 119.914 0.033 0.000 2.446 5417 V HA 0.611 4.738 4.120 0.011 0.000 0.276 5417 V C -0.642 175.497 176.094 0.074 0.000 1.030 5417 V CA 0.654 62.976 62.300 0.037 0.000 1.033 5417 V CB -0.195 31.626 31.823 -0.003 0.000 0.993 5417 V HN 0.723 nan 8.190 nan 0.000 0.477 5418 N N 5.910 124.679 118.700 0.115 0.000 2.269 5418 N HA 0.752 5.499 4.740 0.011 0.000 0.304 5418 N C -1.171 174.509 175.510 0.283 0.000 1.072 5418 N CA -0.743 52.405 53.050 0.164 0.000 0.802 5418 N CB 1.941 40.509 38.487 0.134 0.000 1.348 5418 N HN 0.811 nan 8.380 nan 0.000 0.484 5419 F N 1.229 121.239 119.950 0.099 0.000 2.655 5419 F HA 0.437 4.971 4.527 0.012 0.000 0.324 5419 F C -2.439 173.467 175.800 0.178 0.000 1.081 5419 F CA -0.731 57.358 58.000 0.148 0.000 1.088 5419 F CB 0.630 39.691 39.000 0.101 0.000 1.327 5419 F HN 0.357 nan 8.300 nan 0.000 0.522 5420 V N 4.106 123.758 119.914 -0.436 0.000 2.444 5420 V HA 0.533 4.660 4.120 0.011 0.000 0.294 5420 V C 0.285 176.068 176.094 -0.518 0.000 1.022 5420 V CA -0.796 61.299 62.300 -0.341 0.000 0.850 5420 V CB 1.169 33.103 31.823 0.185 0.000 0.992 5420 V HN 0.949 nan 8.190 nan 0.000 0.426 5421 S N 5.404 120.736 115.700 -0.614 0.000 2.552 5421 S HA 0.134 4.611 4.470 0.011 0.000 0.289 5421 S C -1.196 173.462 174.600 0.096 0.000 1.304 5421 S CA -0.379 57.658 58.200 -0.270 0.000 1.063 5421 S CB 1.012 64.175 63.200 -0.061 0.000 0.848 5421 S HN 0.640 nan 8.310 nan 0.000 0.499 5422 P HA -0.100 nan 4.420 nan 0.000 0.216 5422 P C 1.189 178.703 177.300 0.357 0.000 1.150 5422 P CA 1.316 64.656 63.100 0.400 0.000 0.837 5422 P CB 0.079 32.024 31.700 0.408 0.000 0.786 5423 R N -0.770 119.877 120.500 0.245 0.000 2.096 5423 R HA -0.074 4.272 4.340 0.011 0.000 0.235 5423 R C 2.385 178.869 176.300 0.308 0.000 1.127 5423 R CA 1.535 57.768 56.100 0.223 0.000 0.968 5423 R CB -1.022 29.336 30.300 0.097 0.000 0.861 5423 R HN 0.188 nan 8.270 nan 0.000 0.440 5424 S N 0.416 116.232 115.700 0.193 0.000 2.354 5424 S HA -0.185 4.292 4.470 0.011 0.000 0.219 5424 S C 1.619 176.124 174.600 -0.159 0.000 1.035 5424 S CA 1.613 59.780 58.200 -0.056 0.000 1.037 5424 S CB -0.427 62.517 63.200 -0.428 0.000 0.956 5424 S HN 0.409 nan 8.310 nan 0.000 0.428 5425 W N 1.355 122.697 121.300 0.070 0.000 2.333 5425 W HA -0.086 4.581 4.660 0.013 0.000 0.316 5425 W C 2.077 178.654 176.519 0.098 0.000 1.215 5425 W CA 0.065 57.452 57.345 0.070 0.000 1.278 5425 W CB -1.095 28.411 29.460 0.077 0.000 1.154 5425 W HN 0.190 nan 8.180 nan 0.000 0.486 5426 L N 0.900 122.322 121.223 0.331 0.000 1.944 5426 L HA -0.251 4.096 4.340 0.011 0.000 0.218 5426 L C 2.652 179.559 176.870 0.063 0.000 1.075 5426 L CA 2.575 57.510 54.840 0.158 0.000 0.767 5426 L CB -1.878 40.242 42.059 0.102 0.000 0.890 5426 L HN 0.073 nan 8.230 nan 0.000 0.434 5427 A N -1.925 120.925 122.820 0.050 0.000 1.917 5427 A HA -0.303 4.023 4.320 0.011 0.000 0.219 5427 A C 2.412 180.013 177.584 0.029 0.000 1.182 5427 A CA 2.691 54.737 52.037 0.016 0.000 0.633 5427 A CB -1.222 17.772 19.000 -0.010 0.000 0.819 5427 A HN 0.509 nan 8.150 nan 0.000 0.448 5428 T N -0.237 114.303 114.554 -0.024 0.000 2.545 5428 T HA -0.194 4.162 4.350 0.011 0.000 0.261 5428 T C 2.248 177.018 174.700 0.116 0.000 1.097 5428 T CA 3.261 65.349 62.100 -0.020 0.000 1.189 5428 T CB -0.785 68.015 68.868 -0.114 0.000 0.863 5428 T HN 0.882 nan 8.240 nan 0.000 0.405 5429 S N 1.425 117.232 115.700 0.177 0.000 2.452 5429 S HA -0.368 4.108 4.470 0.011 0.000 0.253 5429 S C 1.767 176.496 174.600 0.214 0.000 1.061 5429 S CA 2.493 60.816 58.200 0.205 0.000 1.273 5429 S CB -1.740 61.636 63.200 0.294 0.000 1.191 5429 S HN 0.767 nan 8.310 nan 0.000 0.430 5430 H N 0.864 119.991 119.070 0.097 0.000 2.444 5430 H HA -0.121 4.441 4.556 0.010 0.000 0.294 5430 H C 1.690 177.152 175.328 0.223 0.000 1.125 5430 H CA 1.750 57.855 56.048 0.095 0.000 1.230 5430 H CB -0.810 29.006 29.762 0.089 0.000 1.361 5430 H HN 0.616 nan 8.280 nan 0.000 0.508 5431 F N -0.178 119.893 119.950 0.203 0.000 2.098 5431 F HA -0.198 4.329 4.527 0.000 0.000 0.294 5431 F C 2.496 178.439 175.800 0.237 0.000 1.107 5431 F CA 0.860 59.025 58.000 0.275 0.000 1.234 5431 F CB -0.333 38.724 39.000 0.094 0.000 1.002 5431 F HN 0.099 nan 8.300 nan 0.000 0.472 5432 V N 2.025 121.981 119.914 0.069 0.000 2.392 5432 V HA -0.285 3.841 4.120 0.011 0.000 0.249 5432 V C 2.039 178.166 176.094 0.055 0.000 1.059 5432 V CA 1.897 64.109 62.300 -0.147 0.000 1.051 5432 V CB -0.451 31.251 31.823 -0.201 0.000 0.658 5432 V HN 0.402 nan 8.190 nan 0.000 0.455 5433 L N 0.047 121.320 121.223 0.084 0.000 2.007 5433 L HA -0.027 4.320 4.340 0.011 0.000 0.205 5433 L C 2.911 179.767 176.870 -0.023 0.000 1.073 5433 L CA 1.735 56.592 54.840 0.029 0.000 0.744 5433 L CB -1.325 40.588 42.059 -0.243 0.000 0.898 5433 L HN 0.401 nan 8.230 nan 0.000 0.435 5434 A N 0.133 122.888 122.820 -0.108 0.000 1.986 5434 A HA -0.291 4.036 4.320 0.011 0.000 0.220 5434 A C 2.130 179.591 177.584 -0.205 0.000 1.171 5434 A CA 1.873 53.732 52.037 -0.296 0.000 0.640 5434 A CB -0.854 17.883 19.000 -0.439 0.000 0.811 5434 A HN 0.436 nan 8.150 nan 0.000 0.451 5435 F N -0.454 119.603 119.950 0.179 0.000 2.000 5435 F HA -0.141 4.386 4.527 0.000 0.000 0.295 5435 F C 2.016 177.982 175.800 0.277 0.000 1.159 5435 F CA 1.625 59.849 58.000 0.374 0.000 1.171 5435 F CB -1.038 38.114 39.000 0.253 0.000 0.971 5435 F HN 0.249 nan 8.300 nan 0.000 0.479 5436 F N -0.227 119.652 119.950 -0.118 0.000 2.106 5436 F HA -0.384 4.150 4.527 0.012 0.000 0.299 5436 F C 2.521 178.282 175.800 -0.064 0.000 1.082 5436 F CA 1.576 59.476 58.000 -0.167 0.000 1.244 5436 F CB -0.761 38.321 39.000 0.136 0.000 0.997 5436 F HN 0.082 nan 8.300 nan 0.000 0.486 5437 F N -0.677 119.262 119.950 -0.017 0.000 2.126 5437 F HA -0.293 4.238 4.527 0.008 0.000 0.299 5437 F C 2.408 178.140 175.800 -0.113 0.000 1.096 5437 F CA 0.354 58.306 58.000 -0.081 0.000 1.255 5437 F CB -0.357 38.591 39.000 -0.087 0.000 0.997 5437 F HN -0.036 nan 8.300 nan 0.000 0.479 5438 L N 0.304 121.528 121.223 0.001 0.000 2.129 5438 L HA -0.195 4.151 4.340 0.011 0.000 0.212 5438 L C 2.164 178.996 176.870 -0.063 0.000 1.087 5438 L CA 1.503 56.314 54.840 -0.047 0.000 0.757 5438 L CB -0.800 41.230 42.059 -0.048 0.000 0.896 5438 L HN 0.001 nan 8.230 nan 0.000 0.434 5439 V N 0.212 120.016 119.914 -0.184 0.000 2.407 5439 V HA -0.187 3.939 4.120 0.011 0.000 0.248 5439 V C 2.756 178.830 176.094 -0.032 0.000 1.055 5439 V CA 1.565 63.791 62.300 -0.123 0.000 1.049 5439 V CB -1.267 30.474 31.823 -0.136 0.000 0.662 5439 V HN 0.605 nan 8.190 nan 0.000 0.455 5440 G N -0.524 108.215 108.800 -0.102 0.000 2.434 5440 G HA2 -0.328 3.639 3.960 0.011 0.000 0.214 5440 G HA3 -0.328 3.639 3.960 0.011 0.000 0.214 5440 G C 1.522 176.356 174.900 -0.110 0.000 1.202 5440 G CA 0.972 45.934 45.100 -0.230 0.000 0.788 5440 G HN 0.574 nan 8.290 nan 0.000 0.539 5441 H N 1.057 120.047 119.070 -0.132 0.000 2.437 5441 H HA -0.108 4.457 4.556 0.016 0.000 0.296 5441 H C 2.344 177.688 175.328 0.026 0.000 1.121 5441 H CA 1.775 57.800 56.048 -0.040 0.000 1.255 5441 H CB -0.226 29.538 29.762 0.002 0.000 1.366 5441 H HN 0.331 nan 8.280 nan 0.000 0.512 5442 L N -1.163 120.237 121.223 0.295 0.000 2.013 5442 L HA -0.113 4.234 4.340 0.011 0.000 0.204 5442 L C 2.819 179.881 176.870 0.319 0.000 1.081 5442 L CA 1.318 56.334 54.840 0.295 0.000 0.751 5442 L CB -0.984 41.202 42.059 0.211 0.000 0.901 5442 L HN 0.278 nan 8.230 nan 0.000 0.440 5443 W N -0.043 121.266 121.300 0.014 0.000 2.387 5443 W HA -0.236 4.433 4.660 0.014 0.000 0.272 5443 W C 2.200 178.818 176.519 0.164 0.000 1.224 5443 W CA 0.691 58.068 57.345 0.053 0.000 1.210 5443 W CB 0.133 29.606 29.460 0.022 0.000 1.125 5443 W HN 0.353 nan 8.180 nan 0.000 0.572 5444 H N -1.045 117.965 119.070 -0.100 0.000 2.562 5444 H HA 0.165 4.728 4.556 0.012 0.000 0.267 5444 H C 2.043 177.206 175.328 -0.275 0.000 0.959 5444 H CA 1.201 57.065 56.048 -0.307 0.000 1.204 5444 H CB -0.370 29.218 29.762 -0.290 0.000 1.430 5444 H HN 0.141 nan 8.280 nan 0.000 0.545 5445 A N -0.185 122.606 122.820 -0.049 0.000 1.943 5445 A HA 0.138 4.465 4.320 0.011 0.000 0.213 5445 A C 2.614 180.209 177.584 0.019 0.000 1.181 5445 A CA 0.966 52.954 52.037 -0.082 0.000 0.653 5445 A CB -0.740 18.211 19.000 -0.083 0.000 0.833 5445 A HN 0.413 nan 8.150 nan 0.000 0.451 5446 G N -0.092 108.801 108.800 0.155 0.000 2.440 5446 G HA2 -0.263 3.704 3.960 0.011 0.000 0.218 5446 G HA3 -0.263 3.704 3.960 0.011 0.000 0.218 5446 G C 1.750 176.758 174.900 0.179 0.000 1.154 5446 G CA 1.088 46.359 45.100 0.286 0.000 0.767 5446 G HN 0.524 nan 8.290 nan 0.000 0.552 5447 R N 0.415 120.830 120.500 -0.141 0.000 2.127 5447 R HA 0.249 4.596 4.340 0.011 0.000 0.217 5447 R C 2.651 178.821 176.300 -0.218 0.000 1.074 5447 R CA 1.157 57.068 56.100 -0.315 0.000 0.991 5447 R CB -0.214 29.618 30.300 -0.779 0.000 0.895 5447 R HN 0.275 nan 8.270 nan 0.000 0.450 5448 A N 0.845 123.528 122.820 -0.228 0.000 1.935 5448 A HA -0.053 4.273 4.320 0.011 0.000 0.214 5448 A C 2.076 179.568 177.584 -0.153 0.000 1.178 5448 A CA 0.686 52.583 52.037 -0.233 0.000 0.640 5448 A CB -0.262 18.550 19.000 -0.313 0.000 0.825 5448 A HN 0.198 nan 8.150 nan 0.000 0.447 5449 R N 0.500 120.958 120.500 -0.071 0.000 2.285 5449 R HA 0.078 4.425 4.340 0.011 0.000 0.213 5449 R C 1.764 178.054 176.300 -0.017 0.000 1.068 5449 R CA 1.360 57.456 56.100 -0.007 0.000 1.004 5449 R CB -0.810 29.535 30.300 0.074 0.000 0.873 5449 R HN 0.411 nan 8.270 nan 0.000 0.467 5450 A N -0.164 122.634 122.820 -0.037 0.000 1.898 5450 A HA 0.119 4.446 4.320 0.011 0.000 0.214 5450 A C 2.308 179.636 177.584 -0.427 0.000 1.183 5450 A CA 1.128 53.076 52.037 -0.148 0.000 0.622 5450 A CB -0.852 18.189 19.000 0.068 0.000 0.824 5450 A HN 0.378 nan 8.150 nan 0.000 0.444 5451 A N 0.320 122.983 122.820 -0.261 0.000 1.892 5451 A HA 0.040 4.366 4.320 0.011 0.000 0.218 5451 A C 2.477 179.895 177.584 -0.277 0.000 1.188 5451 A CA 2.439 54.329 52.037 -0.245 0.000 0.631 5451 A CB -1.269 17.623 19.000 -0.180 0.000 0.822 5451 A HN 1.350 nan 8.150 nan 0.000 0.447 5452 A N -1.221 121.463 122.820 -0.227 0.000 2.082 5452 A HA -0.043 4.283 4.320 0.011 0.000 0.224 5452 A C 2.059 179.516 177.584 -0.212 0.000 1.179 5452 A CA 2.831 54.771 52.037 -0.161 0.000 0.670 5452 A CB -0.634 18.316 19.000 -0.083 0.000 0.817 5452 A HN 1.519 nan 8.150 nan 0.000 0.475 5453 A N -4.518 118.036 122.820 -0.444 0.000 2.474 5453 A HA 0.485 4.812 4.320 0.011 0.000 0.221 5453 A C 1.755 179.094 177.584 -0.409 0.000 1.298 5453 A CA 1.009 52.803 52.037 -0.405 0.000 1.008 5453 A CB -0.102 18.643 19.000 -0.424 0.000 1.217 5453 A HN 2.062 nan 8.150 nan 0.000 0.553 5454 G N -0.225 108.269 108.800 -0.511 0.000 2.175 5454 G HA2 -0.289 3.678 3.960 0.011 0.000 0.244 5454 G HA3 -0.289 3.678 3.960 0.011 0.000 0.244 5454 G C 0.468 175.254 174.900 -0.190 0.000 0.982 5454 G CA 0.508 45.437 45.100 -0.286 0.000 0.641 5454 G HN 1.173 nan 8.290 nan 0.000 0.527 5455 F N 1.606 121.556 119.950 -0.000 0.000 2.731 5455 F HA 0.467 5.001 4.527 0.011 0.000 0.304 5455 F C 1.657 177.462 175.800 0.008 0.000 1.133 5455 F CA 0.082 58.085 58.000 0.005 0.000 1.380 5455 F CB -0.605 38.404 39.000 0.014 0.000 1.079 5455 F HN 0.312 nan 8.300 nan 0.000 0.550 5456 E N 1.139 121.390 120.200 0.086 0.000 2.150 5456 E HA -0.152 4.205 4.350 0.011 0.000 0.193 5456 E C 1.651 178.294 176.600 0.072 0.000 0.985 5456 E CA 1.199 57.656 56.400 0.095 0.000 0.814 5456 E CB -0.452 29.217 29.700 -0.053 0.000 0.752 5456 E HN 0.424 nan 8.360 nan 0.000 0.466 5457 K N 0.205 120.623 120.400 0.030 0.000 2.155 5457 K HA 0.131 4.457 4.320 0.011 0.000 0.203 5457 K C 0.933 177.563 176.600 0.050 0.000 1.052 5457 K CA 0.903 57.194 56.287 0.007 0.000 0.948 5457 K CB 0.227 32.710 32.500 -0.027 0.000 0.728 5457 K HN 0.263 nan 8.250 nan 0.000 0.448 5458 G N 0.223 109.078 108.800 0.091 0.000 2.452 5458 G HA2 0.233 4.200 3.960 0.011 0.000 0.224 5458 G HA3 0.233 4.200 3.960 0.011 0.000 0.224 5458 G C -1.703 173.263 174.900 0.111 0.000 1.208 5458 G CA -0.946 44.208 45.100 0.090 0.000 0.946 5458 G HN 0.004 nan 8.290 nan 0.000 0.481 5459 I N 1.630 122.241 120.570 0.070 0.000 2.439 5459 I HA 0.265 4.442 4.170 0.011 0.000 0.285 5459 I C -0.910 175.235 176.117 0.047 0.000 1.021 5459 I CA -0.647 60.690 61.300 0.060 0.000 1.091 5459 I CB 1.964 39.975 38.000 0.019 0.000 1.242 5459 I HN 0.452 nan 8.210 nan 0.000 0.439 5460 D N 6.749 127.182 120.400 0.055 0.000 2.426 5460 D HA -0.026 4.621 4.640 0.011 0.000 0.261 5460 D C 1.259 177.575 176.300 0.026 0.000 1.245 5460 D CA 0.324 54.347 54.000 0.039 0.000 0.917 5460 D CB 0.936 41.761 40.800 0.042 0.000 1.123 5460 D HN 0.491 nan 8.370 nan 0.000 0.508 5461 R N 2.438 122.950 120.500 0.020 0.000 2.332 5461 R HA -0.181 4.166 4.340 0.011 0.000 0.239 5461 R C 1.297 177.605 176.300 0.013 0.000 1.160 5461 R CA 1.278 57.386 56.100 0.014 0.000 1.020 5461 R CB 0.167 30.474 30.300 0.012 0.000 0.859 5461 R HN 0.680 nan 8.270 nan 0.000 0.478 5462 E N -1.969 118.239 120.200 0.015 0.000 2.641 5462 E HA 0.043 4.399 4.350 0.011 0.000 0.224 5462 E C 0.093 176.703 176.600 0.016 0.000 0.951 5462 E CA -0.032 56.376 56.400 0.013 0.000 1.102 5462 E CB 0.723 30.430 29.700 0.012 0.000 1.091 5462 E HN -0.068 nan 8.360 nan 0.000 0.507 5463 S N 1.527 117.239 115.700 0.020 0.000 2.569 5463 S HA 0.076 4.552 4.470 0.011 0.000 0.215 5463 S C -0.922 173.696 174.600 0.030 0.000 1.096 5463 S CA -0.663 57.552 58.200 0.025 0.000 1.183 5463 S CB 0.010 63.226 63.200 0.028 0.000 1.324 5463 S HN 0.358 nan 8.310 nan 0.000 0.421 5464 E N 0.924 121.136 120.200 0.021 0.000 2.200 5464 E HA 0.401 4.757 4.350 0.011 0.000 0.283 5464 E C -2.172 174.433 176.600 0.009 0.000 1.015 5464 E CA -1.905 54.504 56.400 0.015 0.000 0.819 5464 E CB 0.983 30.685 29.700 0.004 0.000 1.081 5464 E HN 0.085 nan 8.360 nan 0.000 0.397 5465 P HA -0.251 nan 4.420 nan 0.000 0.217 5465 P C 1.246 178.543 177.300 -0.005 0.000 1.151 5465 P CA 0.982 64.085 63.100 0.005 0.000 0.849 5465 P CB 0.167 31.867 31.700 -0.001 0.000 0.787 5466 V N -1.024 118.881 119.914 -0.015 0.000 2.379 5466 V HA -0.137 3.990 4.120 0.011 0.000 0.245 5466 V C 2.219 178.308 176.094 -0.008 0.000 1.044 5466 V CA 1.147 63.437 62.300 -0.016 0.000 1.036 5466 V CB -1.094 30.714 31.823 -0.026 0.000 0.664 5466 V HN 0.091 nan 8.190 nan 0.000 0.453 5467 L N 0.077 121.297 121.223 -0.006 0.000 2.700 5467 L HA 0.058 4.405 4.340 0.011 0.000 0.240 5467 L C 0.340 177.210 176.870 0.001 0.000 1.162 5467 L CA 0.552 55.390 54.840 -0.002 0.000 0.874 5467 L CB 0.024 42.083 42.059 -0.001 0.000 1.001 5467 L HN 0.273 nan 8.230 nan 0.000 0.447 5468 S N 0.331 116.032 115.700 0.002 0.000 2.440 5468 S HA 0.490 4.967 4.470 0.011 0.000 0.142 5468 S C -0.521 174.082 174.600 0.004 0.000 1.578 5468 S CA -0.416 57.786 58.200 0.004 0.000 1.260 5468 S CB 0.670 63.874 63.200 0.008 0.000 1.407 5468 S HN 0.143 nan 8.310 nan 0.000 0.392 5469 M N 2.624 122.226 119.600 0.002 0.000 2.534 5469 M HA 0.364 4.851 4.480 0.011 0.000 0.280 5469 M C -2.641 173.660 176.300 0.001 0.000 1.217 5469 M CA -1.517 53.784 55.300 0.002 0.000 0.893 5469 M CB 2.299 34.899 32.600 -0.001 0.000 1.730 5469 M HN 0.084 nan 8.290 nan 0.000 0.483 5470 P HA 0.074 nan 4.420 nan 0.000 0.264 5470 P C -0.384 176.916 177.300 0.000 0.000 1.236 5470 P CA 0.057 63.158 63.100 0.002 0.000 0.811 5470 P CB -0.089 31.613 31.700 0.003 0.000 0.840 5471 S N 3.689 119.388 115.700 -0.001 0.000 2.737 5471 S HA -0.076 4.401 4.470 0.011 0.000 0.315 5471 S C 1.566 176.165 174.600 -0.002 0.000 1.236 5471 S CA -0.560 57.638 58.200 -0.002 0.000 1.093 5471 S CB -0.201 62.998 63.200 -0.002 0.000 0.832 5471 S HN 0.276 nan 8.310 nan 0.000 0.507 5472 L N 1.388 122.609 121.223 -0.003 0.000 2.151 5472 L HA -0.034 4.312 4.340 0.011 0.000 0.219 5472 L C 0.984 177.853 176.870 -0.002 0.000 1.083 5472 L CA 1.541 56.379 54.840 -0.002 0.000 0.782 5472 L CB -1.782 40.274 42.059 -0.004 0.000 0.891 5472 L HN 0.834 nan 8.230 nan 0.000 0.439 5473 D N 0.000 120.399 120.400 -0.002 0.000 6.856 5473 D HA 0.000 4.647 4.640 0.011 0.000 0.175 5473 D CA 0.000 53.999 54.000 -0.001 0.000 0.868 5473 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 5473 D HN 0.000 nan 8.370 nan 0.000 0.683