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 1xqb_1_A DATA FIRST_RESID 2 DATA SEQUENCE NDLTLSPIAI IHTPYKEKFS VPRQPNLVED GVGIVELLPP YNSPEAVRGL DATA SEQUENCE EQFSHLWLIF QXXXXXXXXX XXXXXXXXXX XXXXVGVFAS RATHRPNPLG DATA SEQUENCE XSKVELRQVE CINGNIFLHL GAVDLVDGTP IFDIKPYIAY ADSEPNAQSS DATA SEQUENCE XXXXXXXVKM TVEFTEQAKS AVKKREEKRP HLSRFIRQVL EXXXXXXXXX DATA SEQUENCE XXXXDRIYGM SLYEFNVKWX XXAGTVNCVE 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.492 175.510 -0.029 0.000 1.280 2 N CA 0.000 53.036 53.050 -0.024 0.000 0.885 2 N CB 0.000 38.475 38.487 -0.020 0.000 1.341 3 D N 0.500 120.883 120.400 -0.028 0.000 2.274 3 D HA 0.418 5.063 4.640 0.009 0.000 0.256 3 D C -0.180 176.095 176.300 -0.043 0.000 1.274 3 D CA 0.467 54.446 54.000 -0.035 0.000 0.998 3 D CB 0.448 41.230 40.800 -0.030 0.000 1.139 3 D HN 0.318 nan 8.370 nan 0.000 0.540 4 L N -0.892 120.299 121.223 -0.054 0.000 2.611 4 L HA 0.224 4.569 4.340 0.009 0.000 0.260 4 L C -1.249 175.576 176.870 -0.076 0.000 0.924 4 L CA -0.177 54.625 54.840 -0.064 0.000 0.901 4 L CB 2.143 44.153 42.059 -0.081 0.000 1.369 4 L HN 0.160 nan 8.230 nan 0.000 0.415 5 T N 5.687 120.205 114.554 -0.061 0.000 2.743 5 T HA 0.603 4.958 4.350 0.009 0.000 0.292 5 T C -0.264 174.393 174.700 -0.072 0.000 0.972 5 T CA -0.248 61.818 62.100 -0.058 0.000 0.967 5 T CB 0.443 69.298 68.868 -0.021 0.000 0.926 5 T HN 0.412 nan 8.240 nan 0.000 0.459 6 L N 3.354 124.501 121.223 -0.127 0.000 2.312 6 L HA 0.551 4.897 4.340 0.009 0.000 0.281 6 L C 0.579 177.461 176.870 0.019 0.000 1.070 6 L CA -0.773 53.973 54.840 -0.157 0.000 0.805 6 L CB 1.228 42.965 42.059 -0.537 0.000 1.174 6 L HN 0.627 nan 8.230 nan 0.000 0.434 7 S N 1.790 117.546 115.700 0.094 0.000 2.449 7 S HA 0.584 5.059 4.470 0.009 0.000 0.310 7 S C -2.609 172.129 174.600 0.229 0.000 1.096 7 S CA -1.727 56.579 58.200 0.177 0.000 1.095 7 S CB 1.294 64.604 63.200 0.183 0.000 1.007 7 S HN 0.314 nan 8.310 nan 0.000 0.474 8 P HA 0.199 nan 4.420 nan 0.000 0.267 8 P C 0.645 177.978 177.300 0.054 0.000 1.209 8 P CA -0.429 62.741 63.100 0.117 0.000 0.763 8 P CB 0.222 31.945 31.700 0.039 0.000 0.816 9 I N 0.452 120.970 120.570 -0.086 0.000 3.783 9 I HA 0.530 4.706 4.170 0.009 0.000 0.310 9 I C 0.576 176.691 176.117 -0.004 0.000 1.274 9 I CA 0.057 61.230 61.300 -0.212 0.000 1.294 9 I CB 0.213 37.934 38.000 -0.465 0.000 1.051 9 I HN 0.186 nan 8.210 nan 0.000 0.435 10 A N 0.977 123.775 122.820 -0.036 0.000 2.586 10 A HA 0.801 5.126 4.320 0.009 0.000 0.290 10 A C -1.370 176.162 177.584 -0.087 0.000 1.086 10 A CA -0.568 51.442 52.037 -0.045 0.000 0.665 10 A CB 1.145 20.111 19.000 -0.057 0.000 1.279 10 A HN 0.161 nan 8.150 nan 0.000 0.423 11 I N 0.636 121.134 120.570 -0.120 0.000 2.608 11 I HA 0.511 4.686 4.170 0.009 0.000 0.295 11 I C -0.873 175.050 176.117 -0.323 0.000 1.049 11 I CA -0.564 60.634 61.300 -0.169 0.000 1.063 11 I CB 2.068 40.005 38.000 -0.104 0.000 1.248 11 I HN 0.647 nan 8.210 nan 0.000 0.424 12 I N 4.981 125.385 120.570 -0.277 0.000 2.378 12 I HA 0.331 4.507 4.170 0.009 0.000 0.291 12 I C -0.767 175.196 176.117 -0.257 0.000 0.992 12 I CA -0.452 60.669 61.300 -0.298 0.000 1.154 12 I CB 0.572 38.471 38.000 -0.167 0.000 1.315 12 I HN 0.516 nan 8.210 nan 0.000 0.448 13 H N 5.623 124.683 119.070 -0.017 0.000 2.552 13 H HA 0.475 5.036 4.556 0.009 0.000 0.311 13 H C -0.711 174.586 175.328 -0.052 0.000 1.071 13 H CA -0.476 55.559 56.048 -0.023 0.000 1.307 13 H CB 1.179 30.932 29.762 -0.015 0.000 1.416 13 H HN 0.484 nan 8.280 nan 0.000 0.464 14 T N 4.172 118.752 114.554 0.043 0.000 2.923 14 T HA 0.173 4.529 4.350 0.009 0.000 0.311 14 T C -1.794 172.775 174.700 -0.218 0.000 1.183 14 T CA -1.257 60.790 62.100 -0.088 0.000 1.020 14 T CB 2.473 71.316 68.868 -0.040 0.000 1.165 14 T HN 0.196 nan 8.240 nan 0.000 0.482 15 P HA -0.057 nan 4.420 nan 0.000 0.216 15 P C -0.230 176.776 177.300 -0.491 0.000 1.150 15 P CA 1.093 63.676 63.100 -0.863 0.000 0.837 15 P CB -0.147 30.874 31.700 -1.131 0.000 0.786 16 Y N -0.071 120.186 120.300 -0.072 0.000 2.637 16 Y HA 0.063 4.617 4.550 0.006 0.000 0.350 16 Y C 1.733 177.627 175.900 -0.011 0.000 1.069 16 Y CA -0.575 57.506 58.100 -0.032 0.000 1.397 16 Y CB -0.029 38.416 38.460 -0.023 0.000 1.163 16 Y HN -0.181 nan 8.280 nan 0.000 0.527 17 K N 2.675 123.152 120.400 0.128 0.000 2.167 17 K HA -0.051 4.274 4.320 0.009 0.000 0.203 17 K C 0.452 177.121 176.600 0.114 0.000 1.052 17 K CA 0.814 57.161 56.287 0.101 0.000 0.956 17 K CB 0.172 32.725 32.500 0.088 0.000 0.735 17 K HN 0.844 nan 8.250 nan 0.000 0.451 18 E N -0.913 119.371 120.200 0.140 0.000 2.423 18 E HA 0.277 4.632 4.350 0.009 0.000 0.269 18 E C 0.115 176.796 176.600 0.135 0.000 0.948 18 E CA -0.788 55.692 56.400 0.134 0.000 0.802 18 E CB 1.235 31.025 29.700 0.151 0.000 1.339 18 E HN -0.312 nan 8.360 nan 0.000 0.445 19 K N 0.203 120.678 120.400 0.124 0.000 2.063 19 K HA -0.109 4.217 4.320 0.009 0.000 0.208 19 K C 1.735 178.419 176.600 0.140 0.000 1.048 19 K CA 1.556 57.905 56.287 0.102 0.000 0.928 19 K CB -0.311 32.245 32.500 0.093 0.000 0.713 19 K HN 0.475 nan 8.250 nan 0.000 0.442 20 F N 1.879 121.834 119.950 0.008 0.000 2.333 20 F HA -0.201 4.328 4.527 0.002 0.000 0.300 20 F C 1.890 177.690 175.800 -0.001 0.000 1.083 20 F CA 0.734 58.740 58.000 0.009 0.000 1.395 20 F CB 0.222 39.247 39.000 0.043 0.000 1.056 20 F HN -0.057 nan 8.300 nan 0.000 0.529 21 S N -0.578 115.139 115.700 0.027 0.000 2.522 21 S HA 0.025 4.500 4.470 0.009 0.000 0.227 21 S C 0.549 175.002 174.600 -0.245 0.000 0.986 21 S CA 0.042 58.213 58.200 -0.047 0.000 0.929 21 S CB -0.044 63.247 63.200 0.151 0.000 0.769 21 S HN -0.040 nan 8.310 nan 0.000 0.529 22 V N 4.363 124.055 119.914 -0.370 0.000 2.455 22 V HA 0.215 4.340 4.120 0.009 0.000 0.273 22 V C -2.249 173.568 176.094 -0.462 0.000 1.045 22 V CA -1.847 60.032 62.300 -0.703 0.000 0.976 22 V CB 0.472 32.005 31.823 -0.482 0.000 0.993 22 V HN 0.137 nan 8.190 nan 0.000 0.475 23 P HA 0.296 nan 4.420 nan 0.000 0.275 23 P C 0.403 177.580 177.300 -0.205 0.000 1.228 23 P CA -0.443 62.487 63.100 -0.282 0.000 0.786 23 P CB 0.576 32.143 31.700 -0.223 0.000 0.927 24 R N 0.998 121.413 120.500 -0.142 0.000 2.316 24 R HA -0.033 4.312 4.340 0.009 0.000 0.202 24 R C 0.346 176.602 176.300 -0.073 0.000 1.029 24 R CA 0.859 56.905 56.100 -0.091 0.000 1.018 24 R CB -0.178 30.084 30.300 -0.064 0.000 0.888 24 R HN 0.575 nan 8.270 nan 0.000 0.471 25 Q N -0.423 119.328 119.800 -0.083 0.000 3.300 25 Q HA 0.177 4.522 4.340 0.009 0.000 0.271 25 Q C -2.315 173.654 176.000 -0.051 0.000 0.926 25 Q CA -1.547 54.222 55.803 -0.057 0.000 0.788 25 Q CB 1.842 30.552 28.738 -0.047 0.000 1.385 25 Q HN -0.038 nan 8.270 nan 0.000 0.424 26 P HA -0.162 nan 4.420 nan 0.000 0.221 26 P C 0.452 177.764 177.300 0.021 0.000 1.145 26 P CA 1.278 64.370 63.100 -0.013 0.000 0.795 26 P CB 0.243 31.929 31.700 -0.023 0.000 0.775 27 N N -0.989 117.710 118.700 -0.001 0.000 2.453 27 N HA -0.038 4.707 4.740 0.009 0.000 0.183 27 N C 1.432 176.945 175.510 0.006 0.000 1.041 27 N CA 0.399 53.449 53.050 0.001 0.000 0.900 27 N CB -0.285 38.191 38.487 -0.018 0.000 0.961 27 N HN 0.190 nan 8.380 nan 0.000 0.443 28 L N 0.594 121.819 121.223 0.003 0.000 2.068 28 L HA 0.026 4.372 4.340 0.009 0.000 0.204 28 L C 0.648 177.534 176.870 0.026 0.000 1.076 28 L CA 0.401 55.243 54.840 0.003 0.000 0.753 28 L CB -0.279 41.773 42.059 -0.013 0.000 0.910 28 L HN -0.074 nan 8.230 nan 0.000 0.439 29 V N 2.454 122.400 119.914 0.053 0.000 2.393 29 V HA -0.081 4.044 4.120 0.009 0.000 0.257 29 V C 1.455 177.626 176.094 0.129 0.000 1.040 29 V CA 0.275 62.645 62.300 0.118 0.000 1.097 29 V CB -0.163 31.774 31.823 0.190 0.000 1.101 29 V HN 0.487 nan 8.190 nan 0.000 0.479 30 E N 1.467 121.718 120.200 0.085 0.000 2.511 30 E HA -0.119 4.237 4.350 0.009 0.000 0.196 30 E C 0.279 176.890 176.600 0.018 0.000 1.066 30 E CA 0.533 56.955 56.400 0.037 0.000 0.871 30 E CB 0.200 29.895 29.700 -0.008 0.000 0.863 30 E HN 0.666 nan 8.360 nan 0.000 0.520 31 D N 0.728 121.175 120.400 0.080 0.000 2.423 31 D HA 0.056 4.701 4.640 0.009 0.000 0.208 31 D C 1.015 177.162 176.300 -0.254 0.000 1.068 31 D CA 0.439 54.392 54.000 -0.079 0.000 0.860 31 D CB 0.434 41.202 40.800 -0.055 0.000 0.992 31 D HN 0.277 nan 8.370 nan 0.000 0.504 32 G N 1.607 110.441 108.800 0.057 0.000 3.090 32 G HA2 0.265 4.230 3.960 0.009 0.000 0.259 32 G HA3 0.265 4.230 3.960 0.009 0.000 0.259 32 G C 0.469 175.336 174.900 -0.054 0.000 0.797 32 G CA -0.097 45.010 45.100 0.011 0.000 2.032 32 G HN -0.050 nan 8.290 nan 0.000 0.614 33 V N 0.013 119.843 119.914 -0.139 0.000 2.997 33 V HA 0.859 4.985 4.120 0.009 0.000 0.311 33 V C 0.944 176.994 176.094 -0.074 0.000 1.066 33 V CA -0.063 62.196 62.300 -0.068 0.000 1.039 33 V CB 1.604 33.398 31.823 -0.048 0.000 1.081 33 V HN 0.512 nan 8.190 nan 0.000 0.467 34 G N 1.292 110.074 108.800 -0.030 0.000 2.672 34 G HA2 0.761 4.726 3.960 0.009 0.000 0.292 34 G HA3 0.761 4.726 3.960 0.009 0.000 0.292 34 G C -1.560 173.323 174.900 -0.028 0.000 1.375 34 G CA -0.650 44.433 45.100 -0.029 0.000 0.890 34 G HN 0.546 nan 8.290 nan 0.000 0.476 35 I N 0.613 121.164 120.570 -0.031 0.000 2.465 35 I HA 0.354 4.529 4.170 0.009 0.000 0.291 35 I C -0.559 175.518 176.117 -0.067 0.000 1.014 35 I CA -1.067 60.188 61.300 -0.075 0.000 1.093 35 I CB 2.366 40.317 38.000 -0.082 0.000 1.267 35 I HN 0.069 nan 8.210 nan 0.000 0.431 36 V N 5.655 125.537 119.914 -0.053 0.000 2.370 36 V HA 0.229 4.354 4.120 0.009 0.000 0.279 36 V C 0.039 176.099 176.094 -0.056 0.000 1.029 36 V CA -0.414 61.830 62.300 -0.093 0.000 0.870 36 V CB 1.530 33.322 31.823 -0.051 0.000 0.984 36 V HN 0.705 nan 8.190 nan 0.000 0.451 37 E N 4.811 124.934 120.200 -0.128 0.000 2.113 37 E HA 0.433 4.789 4.350 0.009 0.000 0.273 37 E C -0.982 175.548 176.600 -0.117 0.000 0.924 37 E CA -0.668 55.669 56.400 -0.105 0.000 0.764 37 E CB 1.199 30.949 29.700 0.083 0.000 1.104 37 E HN 0.589 nan 8.360 nan 0.000 0.406 38 L N 5.641 126.782 121.223 -0.138 0.000 2.360 38 L HA 0.216 4.562 4.340 0.009 0.000 0.276 38 L C -0.175 176.687 176.870 -0.013 0.000 1.121 38 L CA -0.119 54.693 54.840 -0.047 0.000 0.845 38 L CB 0.467 42.511 42.059 -0.025 0.000 1.143 38 L HN 0.471 nan 8.230 nan 0.000 0.452 39 L N 4.845 126.118 121.223 0.083 0.000 2.421 39 L HA 0.476 4.821 4.340 0.009 0.000 0.263 39 L C -2.213 174.712 176.870 0.093 0.000 1.122 39 L CA -2.192 52.705 54.840 0.095 0.000 0.804 39 L CB 0.307 42.447 42.059 0.136 0.000 1.150 39 L HN 0.338 nan 8.230 nan 0.000 0.457 40 P HA 0.120 nan 4.420 nan 0.000 0.271 40 P C -2.290 174.786 177.300 -0.372 0.000 1.216 40 P CA -0.709 62.303 63.100 -0.147 0.000 0.776 40 P CB 0.156 31.802 31.700 -0.091 0.000 0.881 41 P HA 0.241 nan 4.420 nan 0.000 0.250 41 P C -0.408 176.668 177.300 -0.374 0.000 1.808 41 P CA -0.042 62.815 63.100 -0.405 0.000 1.117 41 P CB -0.112 31.404 31.700 -0.307 0.000 1.602 42 Y N -0.053 120.243 120.300 -0.006 0.000 2.510 42 Y HA 0.040 4.595 4.550 0.009 0.000 0.273 42 Y C 1.518 177.407 175.900 -0.018 0.000 1.119 42 Y CA -0.319 57.779 58.100 -0.005 0.000 1.286 42 Y CB -0.518 37.944 38.460 0.003 0.000 1.061 42 Y HN 0.056 nan 8.280 nan 0.000 0.542 43 N N 1.275 120.016 118.700 0.068 0.000 2.906 43 N HA -0.044 4.701 4.740 0.009 0.000 0.282 43 N C -0.429 175.077 175.510 -0.008 0.000 1.293 43 N CA 0.221 53.274 53.050 0.005 0.000 1.059 43 N CB -0.613 37.842 38.487 -0.052 0.000 1.388 43 N HN 0.177 nan 8.380 nan 0.000 0.533 44 S N -1.487 114.224 115.700 0.019 0.000 2.525 44 S HA 0.475 4.951 4.470 0.009 0.000 0.290 44 S C -1.942 172.672 174.600 0.023 0.000 1.152 44 S CA -1.292 56.916 58.200 0.013 0.000 1.072 44 S CB 2.304 65.514 63.200 0.017 0.000 1.027 44 S HN -0.122 nan 8.310 nan 0.000 0.500 45 P HA -0.051 nan 4.420 nan 0.000 0.222 45 P C 0.768 178.088 177.300 0.034 0.000 1.147 45 P CA 0.995 64.111 63.100 0.027 0.000 0.790 45 P CB 0.068 31.782 31.700 0.024 0.000 0.780 46 E N -0.248 119.971 120.200 0.033 0.000 2.107 46 E HA -0.063 4.292 4.350 0.009 0.000 0.191 46 E C 2.073 178.701 176.600 0.047 0.000 0.982 46 E CA 1.030 57.452 56.400 0.037 0.000 0.809 46 E CB -0.631 29.088 29.700 0.031 0.000 0.756 46 E HN 0.144 nan 8.360 nan 0.000 0.459 47 A N 0.980 123.831 122.820 0.052 0.000 2.125 47 A HA -0.090 4.235 4.320 0.009 0.000 0.219 47 A C 2.080 179.703 177.584 0.064 0.000 1.156 47 A CA 1.385 53.460 52.037 0.064 0.000 0.671 47 A CB -0.271 18.778 19.000 0.081 0.000 0.794 47 A HN 0.236 nan 8.150 nan 0.000 0.459 48 V N -3.714 116.237 119.914 0.061 0.000 3.253 48 V HA 0.336 4.461 4.120 0.009 0.000 0.320 48 V C 0.536 176.674 176.094 0.075 0.000 1.442 48 V CA -0.186 62.155 62.300 0.069 0.000 1.097 48 V CB -0.845 31.016 31.823 0.063 0.000 1.008 48 V HN 0.413 nan 8.190 nan 0.000 0.463 49 R N 1.850 122.390 120.500 0.066 0.000 2.483 49 R HA 0.363 4.708 4.340 0.009 0.000 0.329 49 R C 1.338 177.683 176.300 0.075 0.000 0.961 49 R CA 1.399 57.535 56.100 0.060 0.000 1.041 49 R CB -0.384 29.946 30.300 0.049 0.000 0.930 49 R HN 1.048 nan 8.270 nan 0.000 0.413 50 G N 3.757 112.597 108.800 0.066 0.000 2.157 50 G HA2 -0.274 3.691 3.960 0.009 0.000 0.248 50 G HA3 -0.274 3.691 3.960 0.009 0.000 0.248 50 G C 0.581 175.552 174.900 0.118 0.000 0.979 50 G CA 0.132 45.271 45.100 0.065 0.000 0.650 50 G HN 0.621 nan 8.290 nan 0.000 0.529 51 L N 0.397 121.706 121.223 0.143 0.000 2.131 51 L HA -0.060 4.286 4.340 0.009 0.000 0.210 51 L C 2.696 179.678 176.870 0.187 0.000 1.092 51 L CA 2.541 57.506 54.840 0.208 0.000 0.759 51 L CB -0.196 41.951 42.059 0.146 0.000 0.903 51 L HN 0.550 nan 8.230 nan 0.000 0.435 52 E N -0.866 119.393 120.200 0.098 0.000 2.463 52 E HA -0.221 4.135 4.350 0.009 0.000 0.201 52 E C 1.869 178.473 176.600 0.008 0.000 1.045 52 E CA 0.481 56.914 56.400 0.055 0.000 0.872 52 E CB -0.300 29.418 29.700 0.031 0.000 0.797 52 E HN 0.456 nan 8.360 nan 0.000 0.538 53 Q N 0.145 119.921 119.800 -0.040 0.000 2.016 53 Q HA -0.009 4.336 4.340 0.009 0.000 0.200 53 Q C 0.387 176.229 176.000 -0.263 0.000 0.978 53 Q CA 0.912 56.573 55.803 -0.236 0.000 0.833 53 Q CB -0.357 28.081 28.738 -0.499 0.000 0.895 53 Q HN 0.373 nan 8.270 nan 0.000 0.427 54 F N 0.676 120.648 119.950 0.037 0.000 2.410 54 F HA 0.011 4.543 4.527 0.009 0.000 0.334 54 F C 1.777 177.581 175.800 0.006 0.000 1.134 54 F CA 0.104 58.133 58.000 0.048 0.000 1.227 54 F CB 0.653 39.704 39.000 0.084 0.000 1.194 54 F HN -0.025 nan 8.300 nan 0.000 0.571 55 S N -0.429 115.369 115.700 0.164 0.000 2.486 55 S HA 0.112 4.588 4.470 0.009 0.000 0.220 55 S C 0.264 174.696 174.600 -0.280 0.000 1.011 55 S CA 0.202 58.362 58.200 -0.067 0.000 0.921 55 S CB -0.245 62.894 63.200 -0.101 0.000 0.785 55 S HN 0.587 nan 8.310 nan 0.000 0.517 56 H N -0.159 118.949 119.070 0.064 0.000 2.679 56 H HA 0.728 5.289 4.556 0.009 0.000 0.367 56 H C -1.363 173.965 175.328 -0.000 0.000 1.162 56 H CA -0.688 55.325 56.048 -0.057 0.000 1.181 56 H CB 1.761 31.359 29.762 -0.273 0.000 1.693 56 H HN 0.134 nan 8.280 nan 0.000 0.538 57 L N 0.811 122.070 121.223 0.059 0.000 2.327 57 L HA 0.375 4.720 4.340 0.009 0.000 0.258 57 L C -1.152 175.738 176.870 0.034 0.000 1.024 57 L CA -0.564 54.316 54.840 0.067 0.000 0.825 57 L CB 1.896 44.002 42.059 0.077 0.000 1.386 57 L HN 0.569 nan 8.230 nan 0.000 0.417 58 W N 2.512 123.896 121.300 0.140 0.000 2.587 58 W HA 0.720 5.385 4.660 0.008 0.000 0.324 58 W C -1.012 175.573 176.519 0.109 0.000 1.040 58 W CA -0.404 57.026 57.345 0.141 0.000 1.222 58 W CB 1.506 31.031 29.460 0.108 0.000 1.381 58 W HN 0.088 nan 8.180 nan 0.000 0.483 59 L N 5.535 127.040 121.223 0.469 0.000 2.325 59 L HA 0.515 4.860 4.340 0.009 0.000 0.281 59 L C -0.416 176.699 176.870 0.409 0.000 1.004 59 L CA -0.913 54.129 54.840 0.337 0.000 0.823 59 L CB 1.268 43.475 42.059 0.246 0.000 1.236 59 L HN 0.334 nan 8.230 nan 0.000 0.415 60 I N 4.550 125.291 120.570 0.284 0.000 2.306 60 I HA 0.268 4.444 4.170 0.009 0.000 0.288 60 I C -0.057 176.219 176.117 0.265 0.000 1.036 60 I CA -0.318 61.109 61.300 0.212 0.000 1.221 60 I CB 0.339 38.410 38.000 0.118 0.000 1.385 60 I HN 0.428 nan 8.210 nan 0.000 0.472 61 F N 4.323 124.339 119.950 0.110 0.000 2.629 61 F HA 0.658 5.191 4.527 0.009 0.000 0.386 61 F C 0.016 175.846 175.800 0.050 0.000 1.135 61 F CA -0.954 57.025 58.000 -0.035 0.000 1.116 61 F CB 0.585 39.555 39.000 -0.050 0.000 1.426 61 F HN 0.279 nan 8.300 nan 0.000 0.501 87 G N -0.333 108.458 108.800 -0.015 0.000 2.569 87 G HA2 0.484 4.450 3.960 0.009 0.000 0.249 87 G HA3 0.484 4.450 3.960 0.009 0.000 0.249 87 G C 0.887 175.727 174.900 -0.099 0.000 1.216 87 G CA 0.143 45.212 45.100 -0.052 0.000 0.845 87 G HN 1.481 nan 8.290 nan 0.000 0.568 88 V N 1.231 120.999 119.914 -0.244 0.000 2.231 88 V HA -0.253 3.873 4.120 0.009 0.000 0.248 88 V C 2.426 178.384 176.094 -0.226 0.000 1.054 88 V CA 1.938 64.045 62.300 -0.322 0.000 1.015 88 V CB -1.158 30.294 31.823 -0.618 0.000 0.638 88 V HN 0.687 nan 8.190 nan 0.000 0.444 89 F N 0.832 120.781 119.950 -0.002 0.000 2.408 89 F HA -0.012 4.521 4.527 0.010 0.000 0.300 89 F C 2.326 178.123 175.800 -0.005 0.000 1.090 89 F CA 0.699 58.695 58.000 -0.008 0.000 1.427 89 F CB -0.437 38.556 39.000 -0.012 0.000 1.070 89 F HN 0.153 nan 8.300 nan 0.000 0.549 90 A N -0.554 122.342 122.820 0.127 0.000 2.218 90 A HA 0.133 4.459 4.320 0.009 0.000 0.209 90 A C 1.232 178.846 177.584 0.050 0.000 1.168 90 A CA 0.661 52.746 52.037 0.080 0.000 0.804 90 A CB -0.434 18.598 19.000 0.055 0.000 0.834 90 A HN 0.313 nan 8.150 nan 0.000 0.482 91 S N -2.057 113.666 115.700 0.038 0.000 2.874 91 S HA 0.640 5.115 4.470 0.009 0.000 0.318 91 S C 0.174 174.793 174.600 0.031 0.000 1.109 91 S CA -0.768 57.447 58.200 0.025 0.000 0.878 91 S CB 0.857 64.059 63.200 0.004 0.000 1.307 91 S HN 0.059 nan 8.310 nan 0.000 0.592 92 R N 0.261 120.775 120.500 0.023 0.000 2.577 92 R HA 0.468 4.814 4.340 0.009 0.000 0.344 92 R C 0.640 176.946 176.300 0.008 0.000 1.037 92 R CA 0.030 56.148 56.100 0.030 0.000 1.102 92 R CB -0.073 30.256 30.300 0.048 0.000 1.313 92 R HN 0.788 nan 8.270 nan 0.000 0.561 93 A N 0.584 123.394 122.820 -0.017 0.000 2.521 93 A HA 0.019 4.345 4.320 0.009 0.000 0.237 93 A C 1.503 179.045 177.584 -0.071 0.000 1.087 93 A CA 0.842 52.844 52.037 -0.058 0.000 0.777 93 A CB 0.275 19.235 19.000 -0.065 0.000 1.035 93 A HN 0.380 nan 8.150 nan 0.000 0.510 94 T N -2.052 112.411 114.554 -0.151 0.000 3.031 94 T HA 0.035 4.391 4.350 0.009 0.000 0.254 94 T C 0.619 175.280 174.700 -0.065 0.000 1.060 94 T CA 0.852 62.881 62.100 -0.118 0.000 1.135 94 T CB -0.351 68.436 68.868 -0.134 0.000 0.896 94 T HN 0.613 nan 8.240 nan 0.000 0.472 95 H N 2.838 121.902 119.070 -0.010 0.000 3.432 95 H HA 0.454 5.015 4.556 0.008 0.000 0.252 95 H C 0.220 175.518 175.328 -0.051 0.000 1.397 95 H CA 0.129 56.163 56.048 -0.024 0.000 1.549 95 H CB -0.422 29.321 29.762 -0.031 0.000 1.699 95 H HN 0.454 nan 8.280 nan 0.000 0.523 96 R N 2.199 122.739 120.500 0.067 0.000 2.854 96 R HA 0.239 4.585 4.340 0.009 0.000 0.271 96 R C -1.577 174.738 176.300 0.025 0.000 0.994 96 R CA -1.839 54.269 56.100 0.012 0.000 0.945 96 R CB 1.098 31.408 30.300 0.017 0.000 1.194 96 R HN 0.157 nan 8.270 nan 0.000 0.476 97 P HA -0.102 nan 4.420 nan 0.000 0.219 97 P C -0.562 176.757 177.300 0.031 0.000 1.146 97 P CA 1.325 64.450 63.100 0.042 0.000 0.808 97 P CB 0.280 32.038 31.700 0.097 0.000 0.779 98 N N -1.130 117.590 118.700 0.033 0.000 2.577 98 N HA 0.134 4.880 4.740 0.009 0.000 0.275 98 N C -2.643 172.866 175.510 -0.002 0.000 1.091 98 N CA -1.321 51.728 53.050 -0.002 0.000 0.843 98 N CB 1.608 40.081 38.487 -0.024 0.000 1.295 98 N HN 0.049 nan 8.380 nan 0.000 0.530 99 P HA 0.066 nan 4.420 nan 0.000 0.262 99 P C -0.327 176.951 177.300 -0.037 0.000 1.647 99 P CA 0.102 63.205 63.100 0.006 0.000 0.865 99 P CB -0.112 31.618 31.700 0.050 0.000 1.834 100 L N 0.397 121.576 121.223 -0.073 0.000 2.278 100 L HA 0.458 4.804 4.340 0.009 0.000 0.287 100 L C 1.273 177.982 176.870 -0.268 0.000 1.072 100 L CA -0.317 54.445 54.840 -0.131 0.000 0.819 100 L CB 0.992 42.987 42.059 -0.106 0.000 1.176 100 L HN 0.093 nan 8.230 nan 0.000 0.435 104 K N 3.114 123.500 120.400 -0.025 0.000 2.264 104 K HA 0.700 5.026 4.320 0.009 0.000 0.277 104 K C 0.045 176.517 176.600 -0.213 0.000 1.067 104 K CA -0.665 55.339 56.287 -0.472 0.000 0.900 104 K CB 1.120 32.932 32.500 -1.147 0.000 1.124 104 K HN 0.455 nan 8.250 nan 0.000 0.469 105 V N -0.514 119.343 119.914 -0.095 0.000 2.994 105 V HA 0.497 4.623 4.120 0.009 0.000 0.318 105 V C -0.461 175.647 176.094 0.023 0.000 1.085 105 V CA -1.059 61.228 62.300 -0.020 0.000 0.998 105 V CB 1.603 33.424 31.823 -0.002 0.000 1.063 105 V HN 0.871 nan 8.190 nan 0.000 0.447 106 E N 1.968 122.167 120.200 -0.002 0.000 2.259 106 E HA 0.443 4.799 4.350 0.009 0.000 0.281 106 E C -0.932 175.589 176.600 -0.131 0.000 1.027 106 E CA -0.439 55.859 56.400 -0.171 0.000 0.838 106 E CB 1.441 31.052 29.700 -0.148 0.000 1.066 106 E HN 0.833 nan 8.360 nan 0.000 0.401 107 L N 5.856 126.976 121.223 -0.171 0.000 2.255 107 L HA 0.378 4.723 4.340 0.009 0.000 0.289 107 L C 0.415 177.252 176.870 -0.055 0.000 1.046 107 L CA 0.401 55.206 54.840 -0.058 0.000 0.816 107 L CB 0.598 42.654 42.059 -0.006 0.000 1.197 107 L HN 0.727 nan 8.230 nan 0.000 0.427 108 R N 2.600 123.094 120.500 -0.010 0.000 2.156 108 R HA 0.195 4.540 4.340 0.009 0.000 0.207 108 R C -0.103 176.200 176.300 0.006 0.000 1.040 108 R CA 0.314 56.408 56.100 -0.010 0.000 1.013 108 R CB 0.433 30.732 30.300 -0.001 0.000 0.931 108 R HN 0.725 nan 8.270 nan 0.000 0.465 109 Q N 0.496 120.330 119.800 0.057 0.000 2.430 109 Q HA 0.149 4.495 4.340 0.009 0.000 0.253 109 Q C -1.924 174.161 176.000 0.142 0.000 0.945 109 Q CA -0.298 55.536 55.803 0.051 0.000 0.964 109 Q CB 2.205 30.908 28.738 -0.059 0.000 1.460 109 Q HN -0.064 nan 8.270 nan 0.000 0.428 110 V N 3.975 123.956 119.914 0.111 0.000 2.334 110 V HA 0.290 4.415 4.120 0.009 0.000 0.267 110 V C -0.081 176.101 176.094 0.148 0.000 1.040 110 V CA -0.205 62.179 62.300 0.139 0.000 0.866 110 V CB 1.100 32.982 31.823 0.097 0.000 1.019 110 V HN 0.668 nan 8.190 nan 0.000 0.468 111 E N 4.141 124.487 120.200 0.242 0.000 2.134 111 E HA 0.391 4.746 4.350 0.009 0.000 0.278 111 E C -1.355 175.376 176.600 0.218 0.000 0.959 111 E CA -0.497 56.046 56.400 0.239 0.000 0.783 111 E CB 1.237 31.155 29.700 0.363 0.000 1.095 111 E HN 0.690 nan 8.360 nan 0.000 0.399 112 C N 6.618 126.003 119.300 0.143 0.000 2.301 112 C HA 0.589 5.055 4.460 0.009 0.000 0.323 112 C C -0.371 174.686 174.990 0.111 0.000 1.265 112 C CA -0.642 58.437 59.018 0.103 0.000 1.503 112 C CB -0.827 26.950 27.740 0.062 0.000 2.195 112 C HN 0.634 nan 8.230 nan 0.000 0.477 113 I N 1.252 121.899 120.570 0.128 0.000 2.611 113 I HA 0.438 4.614 4.170 0.009 0.000 0.287 113 I C -0.673 175.506 176.117 0.103 0.000 1.184 113 I CA -0.527 60.847 61.300 0.122 0.000 1.054 113 I CB 1.153 39.251 38.000 0.163 0.000 1.257 113 I HN 0.564 nan 8.210 nan 0.000 0.435 114 N N 4.060 122.800 118.700 0.066 0.000 2.714 114 N HA -0.179 4.566 4.740 0.009 0.000 0.253 114 N C 1.042 176.575 175.510 0.037 0.000 1.024 114 N CA 1.733 54.813 53.050 0.050 0.000 0.726 114 N CB -1.169 37.353 38.487 0.058 0.000 0.908 114 N HN 1.442 nan 8.380 nan 0.000 0.542 115 G N -1.295 107.517 108.800 0.020 0.000 2.168 115 G HA2 -0.354 3.611 3.960 0.009 0.000 0.257 115 G HA3 -0.354 3.611 3.960 0.009 0.000 0.257 115 G C -0.276 174.600 174.900 -0.039 0.000 0.997 115 G CA 0.301 45.398 45.100 -0.006 0.000 0.708 115 G HN 0.597 nan 8.290 nan 0.000 0.520 116 N N -0.107 118.566 118.700 -0.044 0.000 2.407 116 N HA 0.559 5.304 4.740 0.009 0.000 0.277 116 N C -0.368 174.947 175.510 -0.325 0.000 0.995 116 N CA -0.351 52.574 53.050 -0.207 0.000 0.903 116 N CB 1.474 39.941 38.487 -0.032 0.000 1.218 116 N HN 0.201 nan 8.380 nan 0.000 0.487 117 I N 2.967 123.246 120.570 -0.486 0.000 2.362 117 I HA 0.377 4.553 4.170 0.009 0.000 0.289 117 I C -0.857 174.946 176.117 -0.523 0.000 0.994 117 I CA -0.578 60.529 61.300 -0.321 0.000 1.158 117 I CB 0.716 38.640 38.000 -0.125 0.000 1.315 117 I HN 0.264 nan 8.210 nan 0.000 0.451 118 F N 6.505 126.488 119.950 0.054 0.000 2.449 118 F HA 0.455 4.988 4.527 0.009 0.000 0.342 118 F C -0.162 175.658 175.800 0.032 0.000 1.127 118 F CA -0.684 57.311 58.000 -0.009 0.000 0.975 118 F CB 1.411 40.371 39.000 -0.067 0.000 1.146 118 F HN 0.149 nan 8.300 nan 0.000 0.444 119 L N 4.793 126.090 121.223 0.125 0.000 2.270 119 L HA 0.298 4.643 4.340 0.009 0.000 0.286 119 L C -0.066 176.853 176.870 0.083 0.000 1.059 119 L CA -0.445 54.467 54.840 0.120 0.000 0.839 119 L CB 0.031 42.129 42.059 0.066 0.000 1.221 119 L HN 0.592 nan 8.230 nan 0.000 0.431 120 H N 5.255 124.377 119.070 0.088 0.000 3.015 120 H HA 0.255 4.816 4.556 0.009 0.000 0.268 120 H C 0.161 175.500 175.328 0.019 0.000 1.113 120 H CA -0.230 55.849 56.048 0.051 0.000 1.479 120 H CB 0.906 30.688 29.762 0.032 0.000 1.493 120 H HN 0.485 nan 8.280 nan 0.000 0.486 121 L N 1.748 123.019 121.223 0.080 0.000 2.600 121 L HA 0.313 4.659 4.340 0.009 0.000 0.221 121 L C 1.604 178.488 176.870 0.022 0.000 1.197 121 L CA -0.432 54.429 54.840 0.035 0.000 0.838 121 L CB 0.367 42.433 42.059 0.011 0.000 1.474 121 L HN 0.561 nan 8.230 nan 0.000 0.514 122 G N -0.971 107.827 108.800 -0.002 0.000 3.182 122 G HA2 0.501 4.467 3.960 0.009 0.000 0.167 122 G HA3 0.501 4.467 3.960 0.009 0.000 0.167 122 G C -0.701 174.204 174.900 0.007 0.000 1.537 122 G CA -0.011 45.085 45.100 -0.007 0.000 1.046 122 G HN 0.700 nan 8.290 nan 0.000 0.580 123 A N 0.156 122.987 122.820 0.018 0.000 2.350 123 A HA 0.559 4.884 4.320 0.009 0.000 0.293 123 A C 0.371 177.990 177.584 0.059 0.000 1.231 123 A CA -0.197 51.870 52.037 0.049 0.000 0.883 123 A CB -0.241 18.793 19.000 0.056 0.000 1.133 123 A HN 1.447 nan 8.150 nan 0.000 0.533 124 V N 0.441 120.410 119.914 0.091 0.000 3.302 124 V HA 0.778 4.903 4.120 0.009 0.000 0.316 124 V C 0.215 176.397 176.094 0.146 0.000 1.111 124 V CA -0.065 62.284 62.300 0.081 0.000 1.029 124 V CB 1.881 33.726 31.823 0.038 0.000 1.170 124 V HN 0.783 nan 8.190 nan 0.000 0.452 125 D N -0.902 119.522 120.400 0.040 0.000 2.538 125 D HA 0.191 4.837 4.640 0.009 0.000 0.241 125 D C 0.159 176.406 176.300 -0.088 0.000 1.297 125 D CA -0.126 53.848 54.000 -0.043 0.000 0.804 125 D CB -0.361 40.393 40.800 -0.077 0.000 1.122 125 D HN 0.534 nan 8.370 nan 0.000 0.519 126 L N 1.532 122.688 121.223 -0.112 0.000 2.350 126 L HA 0.402 4.747 4.340 0.009 0.000 0.275 126 L C 0.985 177.835 176.870 -0.034 0.000 1.099 126 L CA -1.293 53.407 54.840 -0.234 0.000 0.808 126 L CB 1.702 43.498 42.059 -0.438 0.000 1.149 126 L HN -0.068 nan 8.230 nan 0.000 0.442 127 V N 0.687 120.588 119.914 -0.021 0.000 3.051 127 V HA 0.061 4.187 4.120 0.009 0.000 0.306 127 V C 0.226 176.344 176.094 0.040 0.000 1.083 127 V CA -0.440 61.898 62.300 0.064 0.000 1.104 127 V CB 1.359 33.224 31.823 0.070 0.000 1.027 127 V HN 0.867 nan 8.190 nan 0.000 0.483 128 D N 3.233 123.670 120.400 0.061 0.000 2.533 128 D HA 0.367 5.012 4.640 0.009 0.000 0.236 128 D C 1.207 177.540 176.300 0.055 0.000 1.137 128 D CA 1.872 55.903 54.000 0.052 0.000 0.867 128 D CB 0.461 41.294 40.800 0.054 0.000 1.170 128 D HN 1.500 nan 8.370 nan 0.000 0.474 129 G N 2.442 111.280 108.800 0.063 0.000 2.179 129 G HA2 -0.288 3.678 3.960 0.009 0.000 0.260 129 G HA3 -0.288 3.678 3.960 0.009 0.000 0.260 129 G C 0.600 175.504 174.900 0.005 0.000 0.977 129 G CA 0.430 45.563 45.100 0.056 0.000 0.641 129 G HN 0.717 nan 8.290 nan 0.000 0.533 130 T N 3.169 117.712 114.554 -0.018 0.000 2.908 130 T HA 0.401 4.756 4.350 0.009 0.000 0.301 130 T C -2.067 172.591 174.700 -0.071 0.000 1.019 130 T CA 0.165 62.250 62.100 -0.024 0.000 1.152 130 T CB 1.198 70.043 68.868 -0.039 0.000 0.966 130 T HN 0.152 nan 8.240 nan 0.000 0.540 131 P HA 0.236 nan 4.420 nan 0.000 0.276 131 P C -0.534 176.550 177.300 -0.359 0.000 1.235 131 P CA -0.481 62.479 63.100 -0.233 0.000 0.772 131 P CB 0.381 31.902 31.700 -0.298 0.000 0.871 132 I N 3.989 124.390 120.570 -0.282 0.000 2.353 132 I HA 0.216 4.392 4.170 0.009 0.000 0.293 132 I C 1.044 177.003 176.117 -0.263 0.000 0.992 132 I CA -0.300 60.879 61.300 -0.202 0.000 1.268 132 I CB 0.281 38.241 38.000 -0.067 0.000 1.387 132 I HN 0.456 nan 8.210 nan 0.000 0.478 133 F N 2.111 122.079 119.950 0.031 0.000 2.505 133 F HA 0.117 4.649 4.527 0.010 0.000 0.289 133 F C 0.644 176.409 175.800 -0.059 0.000 1.101 133 F CA 0.064 58.045 58.000 -0.030 0.000 1.446 133 F CB 0.625 39.606 39.000 -0.032 0.000 1.123 133 F HN 0.435 nan 8.300 nan 0.000 0.564 134 D N -0.898 119.592 120.400 0.150 0.000 2.654 134 D HA 0.426 5.072 4.640 0.009 0.000 0.231 134 D C -1.351 175.000 176.300 0.086 0.000 1.239 134 D CA -0.291 53.754 54.000 0.074 0.000 0.790 134 D CB 1.906 42.741 40.800 0.058 0.000 1.480 134 D HN -0.158 nan 8.370 nan 0.000 0.442 135 I N 2.638 123.244 120.570 0.060 0.000 2.439 135 I HA 0.371 4.547 4.170 0.009 0.000 0.283 135 I C -0.279 175.884 176.117 0.077 0.000 1.023 135 I CA -0.605 60.745 61.300 0.084 0.000 1.100 135 I CB 1.439 39.473 38.000 0.058 0.000 1.238 135 I HN 0.065 nan 8.210 nan 0.000 0.445 136 K N 6.585 127.059 120.400 0.123 0.000 2.340 136 K HA 0.629 4.955 4.320 0.009 0.000 0.244 136 K C -2.764 173.885 176.600 0.081 0.000 0.973 136 K CA -1.860 54.479 56.287 0.087 0.000 0.828 136 K CB 2.245 34.810 32.500 0.109 0.000 1.226 136 K HN 0.153 nan 8.250 nan 0.000 0.437 137 P HA 0.106 nan 4.420 nan 0.000 0.290 137 P C -1.458 175.801 177.300 -0.068 0.000 1.276 137 P CA -0.391 62.545 63.100 -0.273 0.000 0.808 137 P CB 0.311 31.362 31.700 -1.082 0.000 0.966 138 Y N 4.124 124.369 120.300 -0.092 0.000 2.486 138 Y HA 0.340 4.896 4.550 0.009 0.000 0.348 138 Y C -0.278 175.639 175.900 0.028 0.000 1.000 138 Y CA -0.096 57.975 58.100 -0.049 0.000 1.253 138 Y CB -0.044 38.226 38.460 -0.317 0.000 1.140 138 Y HN 0.221 nan 8.280 nan 0.000 0.526 139 I N 7.226 127.742 120.570 -0.090 0.000 2.321 139 I HA 0.258 4.433 4.170 0.009 0.000 0.291 139 I C 1.070 177.181 176.117 -0.010 0.000 0.998 139 I CA -0.374 60.956 61.300 0.050 0.000 1.227 139 I CB 1.684 39.711 38.000 0.046 0.000 1.368 139 I HN 0.857 nan 8.210 nan 0.000 0.466 140 A N 6.070 129.013 122.820 0.206 0.000 1.978 140 A HA -0.227 4.099 4.320 0.009 0.000 0.220 140 A C 2.029 179.689 177.584 0.127 0.000 1.170 140 A CA 1.463 53.630 52.037 0.216 0.000 0.636 140 A CB -0.582 18.552 19.000 0.224 0.000 0.810 140 A HN 0.840 nan 8.150 nan 0.000 0.448 141 Y N 0.056 120.385 120.300 0.050 0.000 2.062 141 Y HA -0.127 4.428 4.550 0.009 0.000 0.272 141 Y C 2.757 178.659 175.900 0.003 0.000 1.117 141 Y CA 1.907 60.026 58.100 0.031 0.000 1.095 141 Y CB -0.368 38.112 38.460 0.033 0.000 0.985 141 Y HN 0.295 nan 8.280 nan 0.000 0.479 142 A N -0.583 122.424 122.820 0.312 0.000 2.067 142 A HA -0.127 4.199 4.320 0.009 0.000 0.219 142 A C 1.443 179.048 177.584 0.034 0.000 1.158 142 A CA 1.879 54.008 52.037 0.153 0.000 0.661 142 A CB -0.471 18.567 19.000 0.063 0.000 0.801 142 A HN 0.616 nan 8.150 nan 0.000 0.452 143 D N -1.171 119.201 120.400 -0.047 0.000 2.380 143 D HA 0.108 4.753 4.640 0.009 0.000 0.212 143 D C 0.522 176.847 176.300 0.042 0.000 1.021 143 D CA 0.381 54.326 54.000 -0.091 0.000 0.884 143 D CB -0.051 40.483 40.800 -0.443 0.000 1.001 143 D HN 0.220 nan 8.370 nan 0.000 0.506 144 S N 0.589 116.331 115.700 0.071 0.000 2.499 144 S HA 0.233 4.708 4.470 0.009 0.000 0.275 144 S C -0.252 174.390 174.600 0.070 0.000 1.257 144 S CA -0.158 58.126 58.200 0.140 0.000 1.050 144 S CB 0.741 64.028 63.200 0.145 0.000 0.937 144 S HN -0.027 nan 8.310 nan 0.000 0.490 145 E N 5.076 125.322 120.200 0.077 0.000 3.191 145 E HA 0.377 4.732 4.350 0.009 0.000 0.303 145 E C -2.239 174.387 176.600 0.043 0.000 1.197 145 E CA -1.225 55.202 56.400 0.045 0.000 0.901 145 E CB 0.599 30.326 29.700 0.045 0.000 1.446 145 E HN 0.345 nan 8.360 nan 0.000 0.385 146 P HA -0.101 nan 4.420 nan 0.000 0.216 146 P C 0.121 177.432 177.300 0.017 0.000 1.153 146 P CA 1.100 64.214 63.100 0.022 0.000 0.858 146 P CB 0.229 31.935 31.700 0.011 0.000 0.789 147 N N -0.474 118.234 118.700 0.012 0.000 2.515 147 N HA 0.151 4.897 4.740 0.009 0.000 0.191 147 N C 0.187 175.706 175.510 0.014 0.000 1.182 147 N CA 0.066 53.122 53.050 0.010 0.000 0.879 147 N CB -0.450 38.041 38.487 0.005 0.000 0.984 147 N HN 0.099 nan 8.380 nan 0.000 0.453 148 A N 0.895 123.728 122.820 0.021 0.000 2.524 148 A HA -0.070 4.256 4.320 0.009 0.000 0.271 148 A C 0.639 178.235 177.584 0.021 0.000 1.097 148 A CA 0.203 52.254 52.037 0.024 0.000 0.791 148 A CB 0.014 19.035 19.000 0.035 0.000 1.028 148 A HN 0.141 nan 8.150 nan 0.000 0.518 149 Q N 1.324 121.134 119.800 0.017 0.000 2.407 149 Q HA 0.532 4.878 4.340 0.009 0.000 0.214 149 Q C 0.439 176.449 176.000 0.017 0.000 1.043 149 Q CA 0.120 55.932 55.803 0.015 0.000 0.983 149 Q CB 1.288 30.033 28.738 0.012 0.000 1.211 149 Q HN 0.824 nan 8.270 nan 0.000 0.564 150 S N -0.856 114.853 115.700 0.015 0.000 4.341 150 S HA 0.301 4.777 4.470 0.009 0.000 0.220 150 S C -0.170 174.438 174.600 0.014 0.000 1.133 150 S CA -0.159 58.050 58.200 0.016 0.000 1.679 150 S CB -0.208 63.002 63.200 0.016 0.000 1.237 150 S HN 0.722 nan 8.310 nan 0.000 0.744 160 K N 2.728 123.110 120.400 -0.031 0.000 2.383 160 K HA 0.473 4.798 4.320 0.009 0.000 0.286 160 K C -0.368 176.207 176.600 -0.042 0.000 1.051 160 K CA 0.111 56.374 56.287 -0.040 0.000 0.974 160 K CB 0.675 33.154 32.500 -0.035 0.000 0.968 160 K HN 0.476 nan 8.250 nan 0.000 0.475 161 M N 2.872 122.438 119.600 -0.057 0.000 2.472 161 M HA 0.154 4.639 4.480 0.009 0.000 0.331 161 M C 0.420 176.674 176.300 -0.078 0.000 1.170 161 M CA -0.867 54.397 55.300 -0.059 0.000 1.009 161 M CB 1.725 34.288 32.600 -0.062 0.000 1.672 161 M HN 0.561 nan 8.290 nan 0.000 0.453 162 T N -0.004 114.507 114.554 -0.071 0.000 2.897 162 T HA 0.474 4.830 4.350 0.009 0.000 0.294 162 T C -0.165 174.453 174.700 -0.138 0.000 1.004 162 T CA -0.791 61.256 62.100 -0.089 0.000 1.106 162 T CB 0.845 69.674 68.868 -0.065 0.000 0.949 162 T HN 0.422 nan 8.240 nan 0.000 0.520 163 V N 3.046 122.842 119.914 -0.196 0.000 2.370 163 V HA 0.472 4.598 4.120 0.009 0.000 0.283 163 V C 0.152 175.967 176.094 -0.464 0.000 1.023 163 V CA -0.637 61.462 62.300 -0.334 0.000 0.857 163 V CB 1.159 32.752 31.823 -0.384 0.000 0.985 163 V HN 1.024 nan 8.190 nan 0.000 0.443 164 E N 4.075 124.006 120.200 -0.448 0.000 2.238 164 E HA 0.605 4.961 4.350 0.009 0.000 0.267 164 E C -1.766 174.570 176.600 -0.440 0.000 0.887 164 E CA -0.615 55.547 56.400 -0.396 0.000 0.769 164 E CB 1.762 31.378 29.700 -0.141 0.000 1.187 164 E HN 0.491 nan 8.360 nan 0.000 0.416 165 F N 1.403 121.358 119.950 0.008 0.000 2.469 165 F HA 0.269 4.799 4.527 0.005 0.000 0.332 165 F C 0.990 176.799 175.800 0.015 0.000 1.103 165 F CA -0.872 57.134 58.000 0.011 0.000 0.979 165 F CB 1.704 40.703 39.000 -0.002 0.000 1.137 165 F HN 0.321 nan 8.300 nan 0.000 0.463 166 T N -2.008 112.664 114.554 0.196 0.000 2.766 166 T HA 0.100 4.456 4.350 0.009 0.000 0.295 166 T C 1.041 175.807 174.700 0.110 0.000 1.024 166 T CA -0.391 61.780 62.100 0.119 0.000 1.018 166 T CB 1.005 69.927 68.868 0.090 0.000 1.002 166 T HN 0.677 nan 8.240 nan 0.000 0.532 167 E N 0.108 120.349 120.200 0.069 0.000 2.085 167 E HA -0.164 4.192 4.350 0.009 0.000 0.194 167 E C 2.209 178.826 176.600 0.029 0.000 0.994 167 E CA 1.499 57.926 56.400 0.045 0.000 0.801 167 E CB -0.380 29.339 29.700 0.031 0.000 0.743 167 E HN 0.792 nan 8.360 nan 0.000 0.453 168 Q N 0.025 119.845 119.800 0.032 0.000 2.124 168 Q HA -0.056 4.290 4.340 0.009 0.000 0.202 168 Q C 1.845 177.854 176.000 0.015 0.000 0.977 168 Q CA 1.984 57.799 55.803 0.020 0.000 0.850 168 Q CB -0.557 28.198 28.738 0.027 0.000 0.901 168 Q HN 0.258 nan 8.270 nan 0.000 0.429 169 A N 0.741 123.588 122.820 0.045 0.000 1.855 169 A HA -0.167 4.158 4.320 0.009 0.000 0.215 169 A C 2.011 179.562 177.584 -0.056 0.000 1.191 169 A CA 1.625 53.688 52.037 0.044 0.000 0.613 169 A CB -0.500 18.601 19.000 0.168 0.000 0.829 169 A HN 0.428 nan 8.150 nan 0.000 0.442 170 K N -0.227 120.146 120.400 -0.045 0.000 2.113 170 K HA -0.167 4.159 4.320 0.009 0.000 0.208 170 K C 2.401 178.911 176.600 -0.151 0.000 1.047 170 K CA 1.534 57.725 56.287 -0.160 0.000 0.928 170 K CB -0.223 32.242 32.500 -0.058 0.000 0.716 170 K HN 0.464 nan 8.250 nan 0.000 0.446 171 S N 0.307 115.956 115.700 -0.086 0.000 2.357 171 S HA -0.074 4.402 4.470 0.009 0.000 0.221 171 S C 2.075 176.619 174.600 -0.093 0.000 1.031 171 S CA 1.036 59.191 58.200 -0.075 0.000 0.982 171 S CB -0.143 63.033 63.200 -0.041 0.000 0.853 171 S HN 0.376 nan 8.310 nan 0.000 0.458 172 A N 0.869 123.634 122.820 -0.091 0.000 1.902 172 A HA -0.008 4.317 4.320 0.009 0.000 0.217 172 A C 2.292 179.768 177.584 -0.180 0.000 1.181 172 A CA 1.795 53.767 52.037 -0.108 0.000 0.623 172 A CB -0.989 17.962 19.000 -0.080 0.000 0.818 172 A HN 0.455 nan 8.150 nan 0.000 0.443 173 V N 0.287 120.068 119.914 -0.221 0.000 2.358 173 V HA -0.230 3.896 4.120 0.009 0.000 0.246 173 V C 2.545 178.500 176.094 -0.232 0.000 1.047 173 V CA 2.364 64.495 62.300 -0.282 0.000 1.035 173 V CB -0.650 30.936 31.823 -0.394 0.000 0.658 173 V HN 0.654 nan 8.190 nan 0.000 0.452 174 K N 1.340 121.622 120.400 -0.197 0.000 2.063 174 K HA -0.220 4.106 4.320 0.009 0.000 0.208 174 K C 2.131 178.660 176.600 -0.118 0.000 1.048 174 K CA 1.881 58.078 56.287 -0.150 0.000 0.928 174 K CB -0.423 32.003 32.500 -0.123 0.000 0.713 174 K HN 0.407 nan 8.250 nan 0.000 0.442 175 K N -0.419 119.916 120.400 -0.107 0.000 2.148 175 K HA -0.104 4.221 4.320 0.009 0.000 0.204 175 K C 1.533 178.090 176.600 -0.072 0.000 1.050 175 K CA 1.187 57.428 56.287 -0.076 0.000 0.942 175 K CB 0.064 32.529 32.500 -0.059 0.000 0.724 175 K HN -0.025 nan 8.250 nan 0.000 0.446 176 R N 0.249 120.682 120.500 -0.112 0.000 2.276 176 R HA 0.045 4.390 4.340 0.009 0.000 0.196 176 R C 1.400 177.650 176.300 -0.083 0.000 0.961 176 R CA 0.482 56.529 56.100 -0.088 0.000 1.024 176 R CB 0.083 30.241 30.300 -0.238 0.000 0.940 176 R HN 0.192 nan 8.270 nan 0.000 0.480 177 E N 0.527 120.660 120.200 -0.111 0.000 2.333 177 E HA -0.149 4.206 4.350 0.009 0.000 0.198 177 E C 0.909 177.447 176.600 -0.104 0.000 1.007 177 E CA 0.954 57.285 56.400 -0.116 0.000 0.845 177 E CB 0.182 29.803 29.700 -0.131 0.000 0.766 177 E HN 0.204 nan 8.360 nan 0.000 0.507 178 E N -0.223 119.929 120.200 -0.080 0.000 2.051 178 E HA -0.076 4.280 4.350 0.009 0.000 0.189 178 E C 1.665 178.226 176.600 -0.065 0.000 0.979 178 E CA 0.970 57.328 56.400 -0.069 0.000 0.803 178 E CB 0.090 29.759 29.700 -0.053 0.000 0.761 178 E HN 0.017 nan 8.360 nan 0.000 0.451 179 K N 0.330 120.700 120.400 -0.050 0.000 1.995 179 K HA 0.089 4.414 4.320 0.009 0.000 0.207 179 K C 0.553 177.101 176.600 -0.087 0.000 1.041 179 K CA 0.877 57.131 56.287 -0.055 0.000 0.942 179 K CB -0.004 32.483 32.500 -0.022 0.000 0.731 179 K HN -0.015 nan 8.250 nan 0.000 0.439 180 R N 2.479 122.932 120.500 -0.078 0.000 2.471 180 R HA 0.251 4.597 4.340 0.009 0.000 0.292 180 R C -2.377 173.867 176.300 -0.093 0.000 1.192 180 R CA -1.651 54.371 56.100 -0.131 0.000 1.257 180 R CB 0.710 30.903 30.300 -0.179 0.000 1.130 180 R HN 0.154 nan 8.270 nan 0.000 0.558 181 P HA 0.027 nan 4.420 nan 0.000 0.268 181 P C -0.652 176.591 177.300 -0.094 0.000 1.205 181 P CA 0.204 63.198 63.100 -0.176 0.000 0.771 181 P CB 0.487 32.058 31.700 -0.215 0.000 0.858 182 H N -0.817 118.247 119.070 -0.010 0.000 3.132 182 H HA -0.117 4.444 4.556 0.008 0.000 0.237 182 H C 1.155 176.541 175.328 0.097 0.000 1.189 182 H CA 0.256 56.322 56.048 0.030 0.000 1.129 182 H CB -1.496 28.279 29.762 0.022 0.000 1.225 182 H HN 0.292 nan 8.280 nan 0.000 0.323 183 L N -0.232 121.079 121.223 0.147 0.000 2.191 183 L HA -0.116 4.230 4.340 0.009 0.000 0.212 183 L C 2.027 179.019 176.870 0.204 0.000 1.103 183 L CA 2.324 57.296 54.840 0.220 0.000 0.769 183 L CB -0.500 41.606 42.059 0.077 0.000 0.908 183 L HN 0.410 nan 8.230 nan 0.000 0.438 184 S N 0.730 116.488 115.700 0.096 0.000 2.335 184 S HA -0.198 4.278 4.470 0.009 0.000 0.217 184 S C 1.949 176.688 174.600 0.232 0.000 1.032 184 S CA 1.389 59.629 58.200 0.068 0.000 0.985 184 S CB -0.131 63.022 63.200 -0.079 0.000 0.896 184 S HN 0.719 nan 8.310 nan 0.000 0.445 185 R N -0.199 120.437 120.500 0.228 0.000 2.285 185 R HA 0.039 4.384 4.340 0.009 0.000 0.213 185 R C 1.734 178.180 176.300 0.244 0.000 1.068 185 R CA 1.106 57.334 56.100 0.214 0.000 1.004 185 R CB -0.743 29.664 30.300 0.178 0.000 0.873 185 R HN 0.415 nan 8.270 nan 0.000 0.467 186 F N 1.888 121.907 119.950 0.114 0.000 2.546 186 F HA 0.175 4.708 4.527 0.010 0.000 0.298 186 F C 0.506 176.348 175.800 0.070 0.000 1.120 186 F CA -0.424 57.636 58.000 0.099 0.000 1.456 186 F CB 0.137 39.229 39.000 0.153 0.000 1.088 186 F HN -0.061 nan 8.300 nan 0.000 0.572 187 I N 1.870 122.448 120.570 0.013 0.000 2.206 187 I HA 0.142 4.318 4.170 0.009 0.000 0.292 187 I C 0.725 176.770 176.117 -0.121 0.000 1.156 187 I CA 0.175 61.394 61.300 -0.136 0.000 1.356 187 I CB -0.081 37.900 38.000 -0.032 0.000 1.494 187 I HN -0.016 nan 8.210 nan 0.000 0.601 188 R N 1.782 122.192 120.500 -0.150 0.000 2.531 188 R HA 0.123 4.469 4.340 0.009 0.000 0.316 188 R C 1.545 177.738 176.300 -0.178 0.000 0.955 188 R CA -0.068 55.961 56.100 -0.118 0.000 1.120 188 R CB 0.608 30.886 30.300 -0.038 0.000 1.361 188 R HN 0.500 nan 8.270 nan 0.000 0.534 189 Q N 0.229 119.868 119.800 -0.269 0.000 2.061 189 Q HA 0.005 4.350 4.340 0.009 0.000 0.195 189 Q C 1.879 177.654 176.000 -0.376 0.000 0.967 189 Q CA 1.169 56.785 55.803 -0.312 0.000 0.829 189 Q CB -0.093 28.413 28.738 -0.386 0.000 0.900 189 Q HN 0.089 nan 8.270 nan 0.000 0.450 190 V N 2.149 121.768 119.914 -0.490 0.000 2.867 190 V HA -0.175 3.950 4.120 0.009 0.000 0.260 190 V C 2.081 177.928 176.094 -0.412 0.000 1.099 190 V CA 0.930 62.830 62.300 -0.667 0.000 1.122 190 V CB -0.577 30.697 31.823 -0.915 0.000 0.708 190 V HN 0.267 nan 8.190 nan 0.000 0.490 191 L N 0.037 121.083 121.223 -0.294 0.000 2.737 191 L HA 0.097 4.442 4.340 0.009 0.000 0.246 191 L C 0.635 177.413 176.870 -0.153 0.000 1.153 191 L CA 0.674 55.398 54.840 -0.195 0.000 0.920 191 L CB -0.285 41.683 42.059 -0.153 0.000 1.090 191 L HN 0.460 nan 8.230 nan 0.000 0.430 207 R N 0.578 120.902 120.500 -0.293 0.000 3.179 207 R HA 0.515 4.861 4.340 0.009 0.000 0.231 207 R C -1.721 174.192 176.300 -0.646 0.000 1.796 207 R CA -0.264 55.498 56.100 -0.563 0.000 1.233 207 R CB 0.509 30.602 30.300 -0.345 0.000 1.545 207 R HN 0.375 nan 8.270 nan 0.000 0.552 208 I N 4.267 124.406 120.570 -0.719 0.000 2.782 208 I HA 0.337 4.512 4.170 0.009 0.000 0.279 208 I C -1.232 174.552 176.117 -0.555 0.000 1.247 208 I CA -0.614 60.381 61.300 -0.508 0.000 1.062 208 I CB 0.216 38.062 38.000 -0.256 0.000 1.421 208 I HN 0.469 nan 8.210 nan 0.000 0.558 209 Y N 3.782 123.724 120.300 -0.597 0.000 2.314 209 Y HA 0.618 5.175 4.550 0.011 0.000 0.334 209 Y C 1.187 176.785 175.900 -0.502 0.000 1.266 209 Y CA -0.430 57.251 58.100 -0.699 0.000 1.391 209 Y CB 1.005 38.673 38.460 -1.321 0.000 1.306 209 Y HN 0.429 nan 8.280 nan 0.000 0.558 210 G N 1.713 110.523 108.800 0.017 0.000 2.542 210 G HA2 0.609 4.574 3.960 0.009 0.000 0.311 210 G HA3 0.609 4.574 3.960 0.009 0.000 0.311 210 G C -1.703 173.449 174.900 0.420 0.000 1.298 210 G CA -0.870 44.360 45.100 0.216 0.000 0.973 210 G HN 0.544 nan 8.290 nan 0.000 0.487 211 M N 1.935 121.812 119.600 0.462 0.000 2.224 211 M HA 0.403 4.888 4.480 0.009 0.000 0.281 211 M C -0.946 175.511 176.300 0.262 0.000 1.025 211 M CA -0.484 55.043 55.300 0.378 0.000 0.954 211 M CB 1.888 34.689 32.600 0.335 0.000 1.639 211 M HN 0.393 nan 8.290 nan 0.000 0.461 212 S N 4.908 120.744 115.700 0.226 0.000 2.439 212 S HA 0.584 5.060 4.470 0.009 0.000 0.282 212 S C -0.877 173.826 174.600 0.171 0.000 1.170 212 S CA -0.485 57.834 58.200 0.197 0.000 1.054 212 S CB 0.395 63.696 63.200 0.169 0.000 0.956 212 S HN 0.525 nan 8.310 nan 0.000 0.490 213 L N 4.269 125.616 121.223 0.208 0.000 2.376 213 L HA 0.548 4.893 4.340 0.009 0.000 0.275 213 L C -0.261 176.778 176.870 0.282 0.000 0.987 213 L CA -0.160 54.788 54.840 0.181 0.000 0.828 213 L CB 0.080 42.261 42.059 0.205 0.000 1.249 213 L HN 0.816 nan 8.230 nan 0.000 0.409 214 Y N 0.928 121.302 120.300 0.123 0.000 2.909 214 Y HA -0.448 4.106 4.550 0.007 0.000 0.465 214 Y C 1.432 177.229 175.900 -0.171 0.000 1.206 214 Y CA 1.095 59.162 58.100 -0.055 0.000 2.474 214 Y CB -0.519 37.872 38.460 -0.115 0.000 1.242 214 Y HN 0.637 nan 8.280 nan 0.000 0.634 215 E N 0.610 120.676 120.200 -0.223 0.000 2.401 215 E HA 0.028 4.384 4.350 0.009 0.000 0.199 215 E C -0.114 176.325 176.600 -0.267 0.000 1.023 215 E CA 1.211 57.411 56.400 -0.333 0.000 0.859 215 E CB -0.329 29.083 29.700 -0.480 0.000 0.780 215 E HN 0.299 nan 8.360 nan 0.000 0.523 216 F N 0.591 120.642 119.950 0.169 0.000 2.368 216 F HA 0.371 4.899 4.527 0.002 0.000 0.315 216 F C 0.263 176.149 175.800 0.143 0.000 1.145 216 F CA -1.118 56.969 58.000 0.145 0.000 1.095 216 F CB 0.609 39.707 39.000 0.164 0.000 1.286 216 F HN -0.272 nan 8.300 nan 0.000 0.530 217 N N -0.004 118.911 118.700 0.358 0.000 2.648 217 N HA 0.321 5.066 4.740 0.009 0.000 0.261 217 N C -1.646 174.012 175.510 0.246 0.000 1.138 217 N CA -0.306 52.898 53.050 0.257 0.000 0.804 217 N CB 1.642 40.246 38.487 0.195 0.000 1.237 217 N HN 0.199 nan 8.380 nan 0.000 0.532 218 V N 2.196 122.267 119.914 0.260 0.000 2.405 218 V HA 0.211 4.337 4.120 0.009 0.000 0.264 218 V C 0.339 176.647 176.094 0.356 0.000 1.048 218 V CA -0.323 62.128 62.300 0.252 0.000 0.966 218 V CB 0.139 32.080 31.823 0.197 0.000 1.015 218 V HN 0.402 nan 8.190 nan 0.000 0.477 219 K N 5.234 125.812 120.400 0.297 0.000 2.183 219 K HA 0.585 4.911 4.320 0.009 0.000 0.274 219 K C -0.590 176.234 176.600 0.373 0.000 1.009 219 K CA -0.422 56.040 56.287 0.292 0.000 0.888 219 K CB 1.859 34.444 32.500 0.142 0.000 1.078 219 K HN 0.824 nan 8.250 nan 0.000 0.459 225 G N 1.061 109.874 108.800 0.021 0.000 2.482 225 G HA2 0.737 4.703 3.960 0.009 0.000 0.317 225 G HA3 0.737 4.703 3.960 0.009 0.000 0.317 225 G C -0.248 174.687 174.900 0.057 0.000 1.241 225 G CA 0.013 45.186 45.100 0.121 0.000 0.967 225 G HN 1.382 nan 8.290 nan 0.000 0.482 226 T N -1.059 113.571 114.554 0.128 0.000 2.767 226 T HA 0.503 4.859 4.350 0.009 0.000 0.284 226 T C -0.104 174.696 174.700 0.167 0.000 0.973 226 T CA -0.740 61.408 62.100 0.079 0.000 0.996 226 T CB 1.702 70.611 68.868 0.069 0.000 0.927 226 T HN 0.713 nan 8.240 nan 0.000 0.456 227 V N 4.319 124.306 119.914 0.122 0.000 2.461 227 V HA 0.284 4.409 4.120 0.009 0.000 0.275 227 V C 0.270 176.484 176.094 0.200 0.000 1.047 227 V CA -0.393 62.039 62.300 0.221 0.000 0.955 227 V CB 0.408 32.355 31.823 0.206 0.000 0.988 227 V HN 0.882 nan 8.190 nan 0.000 0.471 228 N N 4.185 122.996 118.700 0.187 0.000 2.202 228 N HA 0.095 4.841 4.740 0.009 0.000 0.191 228 N C 0.123 175.700 175.510 0.111 0.000 1.054 228 N CA 1.111 54.237 53.050 0.128 0.000 0.877 228 N CB -0.162 38.382 38.487 0.094 0.000 1.057 228 N HN 0.652 nan 8.380 nan 0.000 0.456 229 C N 1.688 121.053 119.300 0.108 0.000 2.396 229 C HA 0.557 5.023 4.460 0.009 0.000 0.321 229 C C -0.521 174.522 174.990 0.087 0.000 1.233 229 C CA -0.681 58.386 59.018 0.082 0.000 1.440 229 C CB 0.280 28.058 27.740 0.065 0.000 2.110 229 C HN 0.100 nan 8.230 nan 0.000 0.473 230 V N 6.968 126.908 119.914 0.044 0.000 2.383 230 V HA 0.591 4.716 4.120 0.009 0.000 0.275 230 V C 0.160 176.274 176.094 0.033 0.000 1.036 230 V CA 0.162 62.468 62.300 0.011 0.000 0.889 230 V CB 1.075 32.821 31.823 -0.128 0.000 0.985 230 V HN 0.905 nan 8.190 nan 0.000 0.459 231 E N 0.000 120.277 120.200 0.129 0.000 2.725 231 E HA 0.000 4.356 4.350 0.009 0.000 0.291 231 E CA 0.000 56.505 56.400 0.174 0.000 0.976 231 E CB 0.000 29.770 29.700 0.117 0.000 0.812 231 E HN 0.000 nan 8.360 nan 0.000 0.440