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 2e41_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLGLKTSIIG RRVIYFQEIT STNEFAKTSY LEEGTVIVAD KQTMGHGALN DATA SEQUENCE RKWESPEGGL WLSIVLSPKV PQKDLPKIVF LGAVGVVETL KEFSIDGRIK DATA SEQUENCE WPNDVLVNYK AIAGVLVEGK GDKIVLGIGL NVNNKVPNGA TSMKLELGSE DATA SEQUENCE VPLLSVFRSL ITNLDRLYLN FLKNPMDILN LVRDNMILGV RVKILGDGSF DATA SEQUENCE EGIAEDIDDF GRLIIRLDSG EVKKVIYGDV SLRFL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.295 176.300 -0.009 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.012 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.026 0.000 1.302 2 L N 2.092 123.315 121.223 -0.000 0.000 2.313 2 L HA 0.295 4.641 4.340 0.011 0.000 0.214 2 L C 1.516 178.406 176.870 0.034 0.000 1.119 2 L CA 1.276 56.125 54.840 0.016 0.000 0.809 2 L CB -0.587 41.495 42.059 0.039 0.000 0.933 2 L HN 0.771 nan 8.230 nan 0.000 0.449 3 G N 1.298 110.115 108.800 0.030 0.000 2.305 3 G HA2 -0.286 3.681 3.960 0.011 0.000 0.287 3 G HA3 -0.286 3.681 3.960 0.011 0.000 0.287 3 G C 0.202 175.125 174.900 0.039 0.000 1.036 3 G CA -0.085 45.033 45.100 0.029 0.000 0.887 3 G HN 0.242 nan 8.290 nan 0.000 0.505 4 L N -0.681 120.574 121.223 0.054 0.000 2.456 4 L HA 0.281 4.627 4.340 0.011 0.000 0.272 4 L C 1.190 178.083 176.870 0.039 0.000 1.189 4 L CA -0.111 54.763 54.840 0.056 0.000 0.846 4 L CB 0.625 42.731 42.059 0.078 0.000 1.111 4 L HN -0.045 nan 8.230 nan 0.000 0.475 5 K N 1.096 121.513 120.400 0.029 0.000 2.455 5 K HA 0.151 4.477 4.320 0.011 0.000 0.206 5 K C 0.356 176.970 176.600 0.023 0.000 1.027 5 K CA -0.067 56.234 56.287 0.024 0.000 1.113 5 K CB 0.292 32.803 32.500 0.018 0.000 0.850 5 K HN 0.725 nan 8.250 nan 0.000 0.503 6 T N -1.926 112.643 114.554 0.024 0.000 2.860 6 T HA 0.186 4.543 4.350 0.011 0.000 0.299 6 T C 1.377 176.100 174.700 0.037 0.000 1.045 6 T CA -0.273 61.843 62.100 0.026 0.000 1.071 6 T CB 1.418 70.296 68.868 0.016 0.000 0.985 6 T HN -0.101 nan 8.240 nan 0.000 0.537 7 S N 0.655 116.383 115.700 0.047 0.000 2.371 7 S HA 0.148 4.625 4.470 0.011 0.000 0.221 7 S C 1.620 176.261 174.600 0.069 0.000 1.036 7 S CA 0.383 58.615 58.200 0.054 0.000 0.965 7 S CB -0.320 62.913 63.200 0.055 0.000 0.845 7 S HN 0.708 nan 8.310 nan 0.000 0.475 8 I N 0.065 120.690 120.570 0.092 0.000 3.534 8 I HA 0.255 4.432 4.170 0.011 0.000 0.251 8 I C -0.149 176.008 176.117 0.068 0.000 1.136 8 I CA 0.015 61.380 61.300 0.108 0.000 1.475 8 I CB 0.104 38.225 38.000 0.202 0.000 1.526 8 I HN 0.032 nan 8.210 nan 0.000 0.454 9 I N 2.736 123.335 120.570 0.048 0.000 2.578 9 I HA 0.109 4.286 4.170 0.011 0.000 0.286 9 I C 0.988 177.104 176.117 -0.002 0.000 1.126 9 I CA 0.784 62.075 61.300 -0.014 0.000 1.380 9 I CB 0.027 37.989 38.000 -0.063 0.000 1.408 9 I HN 0.606 nan 8.210 nan 0.000 0.532 10 G N 5.119 113.932 108.800 0.022 0.000 2.168 10 G HA2 -0.225 3.742 3.960 0.011 0.000 0.197 10 G HA3 -0.225 3.742 3.960 0.011 0.000 0.197 10 G C 1.073 176.015 174.900 0.070 0.000 0.997 10 G CA -0.244 44.889 45.100 0.055 0.000 0.658 10 G HN 0.628 nan 8.290 nan 0.000 0.513 11 R N -0.337 120.199 120.500 0.060 0.000 2.105 11 R HA 0.022 4.369 4.340 0.011 0.000 0.239 11 R C 1.259 177.599 176.300 0.067 0.000 1.135 11 R CA 1.299 57.435 56.100 0.060 0.000 0.967 11 R CB -0.010 30.325 30.300 0.058 0.000 0.861 11 R HN 0.409 nan 8.270 nan 0.000 0.442 12 R N -0.510 120.037 120.500 0.078 0.000 2.771 12 R HA 0.496 4.843 4.340 0.011 0.000 0.274 12 R C -1.482 174.885 176.300 0.113 0.000 0.987 12 R CA -0.748 55.403 56.100 0.086 0.000 0.908 12 R CB 2.909 33.260 30.300 0.084 0.000 1.213 12 R HN -0.171 nan 8.270 nan 0.000 0.468 13 V N 3.432 123.414 119.914 0.114 0.000 2.668 13 V HA 0.445 4.572 4.120 0.011 0.000 0.304 13 V C -0.636 175.520 176.094 0.103 0.000 1.071 13 V CA -0.641 61.745 62.300 0.143 0.000 0.894 13 V CB 2.159 34.083 31.823 0.168 0.000 1.008 13 V HN 0.599 nan 8.190 nan 0.000 0.425 14 I N 5.279 125.922 120.570 0.122 0.000 2.354 14 I HA 0.397 4.574 4.170 0.011 0.000 0.286 14 I C -0.956 175.206 176.117 0.074 0.000 1.007 14 I CA -0.675 60.652 61.300 0.046 0.000 1.167 14 I CB 1.194 39.238 38.000 0.074 0.000 1.320 14 I HN 0.686 nan 8.210 nan 0.000 0.458 15 Y N 7.763 127.967 120.300 -0.160 0.000 2.342 15 Y HA 0.610 5.166 4.550 0.010 0.000 0.334 15 Y C -1.577 174.172 175.900 -0.253 0.000 1.067 15 Y CA -0.815 57.220 58.100 -0.107 0.000 1.128 15 Y CB 0.984 39.357 38.460 -0.144 0.000 1.200 15 Y HN 0.303 nan 8.280 nan 0.000 0.464 16 F N 4.620 123.983 119.950 -0.979 0.000 2.507 16 F HA 0.347 4.880 4.527 0.011 0.000 0.325 16 F C 1.039 176.253 175.800 -0.977 0.000 1.116 16 F CA -0.638 56.867 58.000 -0.825 0.000 0.930 16 F CB 2.249 40.981 39.000 -0.446 0.000 1.146 16 F HN 0.610 nan 8.300 nan 0.000 0.447 17 Q N 0.934 120.405 119.800 -0.548 0.000 2.124 17 Q HA -0.114 4.232 4.340 0.011 0.000 0.202 17 Q C 0.181 176.146 176.000 -0.059 0.000 0.977 17 Q CA 1.416 57.092 55.803 -0.212 0.000 0.850 17 Q CB 0.378 29.078 28.738 -0.063 0.000 0.901 17 Q HN 0.677 nan 8.270 nan 0.000 0.429 18 E N -0.623 119.560 120.200 -0.028 0.000 2.372 18 E HA 0.576 4.933 4.350 0.011 0.000 0.279 18 E C -1.859 174.730 176.600 -0.018 0.000 0.946 18 E CA -0.403 55.995 56.400 -0.003 0.000 0.769 18 E CB 1.812 31.514 29.700 0.002 0.000 1.230 18 E HN 0.071 nan 8.360 nan 0.000 0.442 19 I N 1.559 122.067 120.570 -0.102 0.000 3.093 19 I HA 0.237 4.414 4.170 0.011 0.000 0.308 19 I C 1.077 177.102 176.117 -0.153 0.000 1.303 19 I CA -0.304 60.859 61.300 -0.228 0.000 0.975 19 I CB 2.223 39.867 38.000 -0.593 0.000 1.286 19 I HN 0.842 nan 8.210 nan 0.000 0.459 20 T N 0.674 115.151 114.554 -0.128 0.000 2.668 20 T HA 0.024 4.380 4.350 0.011 0.000 0.262 20 T C 0.655 175.305 174.700 -0.082 0.000 1.045 20 T CA 0.985 63.042 62.100 -0.071 0.000 1.152 20 T CB -0.182 68.668 68.868 -0.029 0.000 0.864 20 T HN 0.526 nan 8.240 nan 0.000 0.419 21 S N 0.066 115.706 115.700 -0.100 0.000 2.584 21 S HA 0.411 4.888 4.470 0.011 0.000 0.280 21 S C 0.804 175.333 174.600 -0.120 0.000 1.162 21 S CA 0.023 58.160 58.200 -0.105 0.000 0.951 21 S CB 1.373 64.552 63.200 -0.034 0.000 1.108 21 S HN 0.542 nan 8.310 nan 0.000 0.464 22 T N 2.853 117.322 114.554 -0.143 0.000 2.867 22 T HA -0.079 4.278 4.350 0.011 0.000 0.268 22 T C 1.426 176.109 174.700 -0.029 0.000 1.057 22 T CA 1.625 63.657 62.100 -0.114 0.000 1.136 22 T CB -0.581 68.245 68.868 -0.069 0.000 0.874 22 T HN 0.521 nan 8.240 nan 0.000 0.466 23 N N 1.231 119.883 118.700 -0.080 0.000 2.142 23 N HA -0.042 4.705 4.740 0.011 0.000 0.186 23 N C 2.054 177.571 175.510 0.012 0.000 1.023 23 N CA 1.115 54.131 53.050 -0.057 0.000 0.852 23 N CB -0.223 38.175 38.487 -0.148 0.000 0.998 23 N HN 0.418 nan 8.380 nan 0.000 0.424 24 E N -0.233 119.990 120.200 0.039 0.000 2.072 24 E HA -0.140 4.217 4.350 0.011 0.000 0.191 24 E C 1.740 178.350 176.600 0.016 0.000 0.985 24 E CA 0.535 56.963 56.400 0.047 0.000 0.801 24 E CB -0.466 29.271 29.700 0.062 0.000 0.750 24 E HN 0.401 nan 8.360 nan 0.000 0.452 25 F N 1.464 121.350 119.950 -0.106 0.000 2.146 25 F HA -0.105 4.429 4.527 0.012 0.000 0.298 25 F C 2.230 177.990 175.800 -0.067 0.000 1.096 25 F CA 1.392 59.327 58.000 -0.109 0.000 1.275 25 F CB -0.169 38.708 39.000 -0.206 0.000 1.008 25 F HN -0.016 nan 8.300 nan 0.000 0.480 26 A N 0.201 123.108 122.820 0.146 0.000 1.930 26 A HA -0.161 4.166 4.320 0.011 0.000 0.217 26 A C 2.248 179.800 177.584 -0.053 0.000 1.175 26 A CA 1.646 53.728 52.037 0.075 0.000 0.627 26 A CB -0.592 18.459 19.000 0.085 0.000 0.815 26 A HN 0.423 nan 8.150 nan 0.000 0.443 27 K N -0.918 119.444 120.400 -0.062 0.000 2.057 27 K HA -0.081 4.246 4.320 0.011 0.000 0.206 27 K C 2.089 178.593 176.600 -0.159 0.000 1.050 27 K CA 1.771 58.007 56.287 -0.085 0.000 0.935 27 K CB -0.336 32.131 32.500 -0.055 0.000 0.715 27 K HN 0.466 nan 8.250 nan 0.000 0.439 28 T N 1.000 115.426 114.554 -0.213 0.000 2.812 28 T HA -0.021 4.336 4.350 0.011 0.000 0.264 28 T C 1.039 175.471 174.700 -0.447 0.000 1.042 28 T CA 0.590 62.512 62.100 -0.297 0.000 1.140 28 T CB 0.037 68.743 68.868 -0.270 0.000 0.870 28 T HN 0.083 nan 8.240 nan 0.000 0.445 29 S N 0.632 116.018 115.700 -0.523 0.000 2.603 29 S HA 0.300 4.777 4.470 0.011 0.000 0.268 29 S C -0.746 173.635 174.600 -0.365 0.000 1.317 29 S CA -0.559 57.322 58.200 -0.532 0.000 1.012 29 S CB 0.135 62.894 63.200 -0.734 0.000 0.926 29 S HN 0.269 nan 8.310 nan 0.000 0.539 30 Y N 1.786 122.026 120.300 -0.100 0.000 2.504 30 Y HA 0.452 5.009 4.550 0.012 0.000 0.351 30 Y C 0.121 176.017 175.900 -0.006 0.000 0.988 30 Y CA -0.279 57.797 58.100 -0.040 0.000 1.239 30 Y CB -0.319 38.126 38.460 -0.024 0.000 1.128 30 Y HN 0.322 nan 8.280 nan 0.000 0.525 31 L N 2.716 124.020 121.223 0.135 0.000 2.371 31 L HA 0.513 4.860 4.340 0.011 0.000 0.262 31 L C -0.233 176.698 176.870 0.103 0.000 1.006 31 L CA -1.324 53.587 54.840 0.119 0.000 0.818 31 L CB 1.975 44.101 42.059 0.112 0.000 1.354 31 L HN 0.312 nan 8.230 nan 0.000 0.415 32 E N 1.181 121.437 120.200 0.094 0.000 2.349 32 E HA 0.106 4.463 4.350 0.011 0.000 0.265 32 E C -0.533 176.108 176.600 0.068 0.000 1.064 32 E CA -0.349 56.097 56.400 0.077 0.000 0.886 32 E CB 1.301 31.044 29.700 0.071 0.000 1.036 32 E HN 0.480 nan 8.360 nan 0.000 0.413 33 E N -0.065 120.173 120.200 0.064 0.000 2.442 33 E HA 0.092 4.449 4.350 0.011 0.000 0.262 33 E C 0.657 177.284 176.600 0.046 0.000 1.004 33 E CA 0.870 57.303 56.400 0.055 0.000 0.928 33 E CB 0.118 29.867 29.700 0.082 0.000 0.937 33 E HN 0.678 nan 8.360 nan 0.000 0.446 34 G N 3.165 111.968 108.800 0.005 0.000 2.195 34 G HA2 -0.252 3.714 3.960 0.011 0.000 0.246 34 G HA3 -0.252 3.714 3.960 0.011 0.000 0.246 34 G C 0.317 175.231 174.900 0.024 0.000 0.984 34 G CA 0.255 45.354 45.100 -0.001 0.000 0.633 34 G HN 0.631 nan 8.290 nan 0.000 0.525 35 T N 1.367 115.950 114.554 0.048 0.000 2.870 35 T HA 0.461 4.818 4.350 0.011 0.000 0.300 35 T C 0.447 175.200 174.700 0.088 0.000 0.989 35 T CA 0.210 62.361 62.100 0.084 0.000 1.139 35 T CB 2.064 70.998 68.868 0.110 0.000 0.920 35 T HN 0.497 nan 8.240 nan 0.000 0.537 36 V N 5.372 125.359 119.914 0.121 0.000 2.435 36 V HA 0.401 4.527 4.120 0.011 0.000 0.290 36 V C -0.078 176.127 176.094 0.186 0.000 1.030 36 V CA -0.920 61.468 62.300 0.146 0.000 0.881 36 V CB 1.407 33.352 31.823 0.205 0.000 0.983 36 V HN 0.690 nan 8.190 nan 0.000 0.445 37 I N 5.477 126.149 120.570 0.170 0.000 2.362 37 I HA 0.533 4.710 4.170 0.011 0.000 0.289 37 I C -0.215 175.995 176.117 0.155 0.000 0.994 37 I CA -0.352 61.051 61.300 0.172 0.000 1.158 37 I CB 1.434 39.515 38.000 0.134 0.000 1.315 37 I HN 0.388 nan 8.210 nan 0.000 0.451 38 V N 5.972 126.004 119.914 0.198 0.000 2.841 38 V HA 0.939 5.066 4.120 0.011 0.000 0.310 38 V C -0.921 175.289 176.094 0.193 0.000 1.090 38 V CA -0.288 62.126 62.300 0.190 0.000 0.930 38 V CB 2.103 34.040 31.823 0.191 0.000 1.014 38 V HN 0.905 nan 8.190 nan 0.000 0.425 39 A N 3.630 126.553 122.820 0.171 0.000 2.515 39 A HA 0.644 4.971 4.320 0.011 0.000 0.298 39 A C 0.187 177.914 177.584 0.238 0.000 1.059 39 A CA -0.396 51.720 52.037 0.132 0.000 0.698 39 A CB 1.599 20.619 19.000 0.034 0.000 1.289 39 A HN 0.788 nan 8.150 nan 0.000 0.404 40 D N 0.549 121.066 120.400 0.195 0.000 2.144 40 D HA -0.033 4.613 4.640 0.011 0.000 0.199 40 D C 0.437 176.955 176.300 0.364 0.000 0.984 40 D CA 1.916 56.058 54.000 0.237 0.000 0.834 40 D CB 0.154 41.071 40.800 0.194 0.000 0.955 40 D HN 0.693 nan 8.370 nan 0.000 0.465 41 K N -0.673 119.900 120.400 0.289 0.000 2.568 41 K HA 0.459 4.786 4.320 0.011 0.000 0.273 41 K C -1.226 175.391 176.600 0.028 0.000 0.951 41 K CA -0.863 55.554 56.287 0.217 0.000 0.854 41 K CB 1.826 34.404 32.500 0.129 0.000 1.424 41 K HN -0.267 nan 8.250 nan 0.000 0.427 42 Q N 0.792 120.507 119.800 -0.142 0.000 2.337 42 Q HA 0.250 4.597 4.340 0.011 0.000 0.266 42 Q C 0.097 176.016 176.000 -0.135 0.000 1.023 42 Q CA -0.693 55.017 55.803 -0.156 0.000 0.829 42 Q CB 2.321 30.926 28.738 -0.222 0.000 1.306 42 Q HN 0.899 nan 8.270 nan 0.000 0.449 43 T N -1.545 112.955 114.554 -0.090 0.000 3.051 43 T HA 0.183 4.540 4.350 0.011 0.000 0.255 43 T C 0.966 175.632 174.700 -0.057 0.000 1.085 43 T CA 0.407 62.467 62.100 -0.067 0.000 1.109 43 T CB 0.218 69.060 68.868 -0.043 0.000 0.921 43 T HN 0.530 nan 8.240 nan 0.000 0.488 44 M N 1.827 121.397 119.600 -0.051 0.000 3.114 44 M HA 0.394 4.881 4.480 0.011 0.000 0.386 44 M C 0.542 176.849 176.300 0.012 0.000 1.417 44 M CA -0.750 54.543 55.300 -0.011 0.000 0.785 44 M CB 1.277 33.883 32.600 0.009 0.000 1.413 44 M HN 0.266 nan 8.290 nan 0.000 0.498 45 G N 0.759 109.534 108.800 -0.043 0.000 2.432 45 G HA2 0.316 4.283 3.960 0.011 0.000 0.239 45 G HA3 0.316 4.283 3.960 0.011 0.000 0.239 45 G C -0.700 174.243 174.900 0.072 0.000 1.291 45 G CA 0.211 45.279 45.100 -0.053 0.000 0.863 45 G HN 0.714 nan 8.290 nan 0.000 0.560 46 H N -1.040 118.045 119.070 0.026 0.000 2.985 46 H HA 0.772 5.335 4.556 0.012 0.000 0.360 46 H C 0.326 175.656 175.328 0.004 0.000 1.221 46 H CA -0.467 55.608 56.048 0.045 0.000 1.121 46 H CB 1.231 30.992 29.762 -0.002 0.000 1.854 46 H HN 0.695 nan 8.280 nan 0.000 0.551 47 G N -0.175 108.772 108.800 0.244 0.000 3.039 47 G HA2 0.605 4.572 3.960 0.011 0.000 0.159 47 G HA3 0.605 4.572 3.960 0.011 0.000 0.159 47 G C -0.494 174.515 174.900 0.182 0.000 1.284 47 G CA -0.710 44.462 45.100 0.120 0.000 0.996 47 G HN 0.923 nan 8.290 nan 0.000 0.592 48 A N -1.239 121.632 122.820 0.085 0.000 2.332 48 A HA 0.567 4.894 4.320 0.011 0.000 0.258 48 A C 0.927 178.532 177.584 0.036 0.000 1.087 48 A CA -0.260 51.808 52.037 0.053 0.000 0.802 48 A CB -0.190 18.824 19.000 0.024 0.000 1.042 48 A HN 1.364 nan 8.150 nan 0.000 0.489 49 L N 0.009 121.231 121.223 -0.002 0.000 3.737 49 L HA -0.289 4.057 4.340 0.011 0.000 0.418 49 L C 0.704 177.555 176.870 -0.032 0.000 1.216 49 L CA 0.684 55.512 54.840 -0.020 0.000 0.915 49 L CB -2.138 39.919 42.059 -0.002 0.000 1.834 49 L HN 1.098 nan 8.230 nan 0.000 0.943 50 N N 0.106 118.762 118.700 -0.072 0.000 2.693 50 N HA -0.215 4.531 4.740 0.011 0.000 0.249 50 N C 0.469 175.986 175.510 0.011 0.000 1.119 50 N CA 1.421 54.411 53.050 -0.099 0.000 0.717 50 N CB -0.269 38.140 38.487 -0.130 0.000 1.071 50 N HN 0.536 nan 8.380 nan 0.000 0.555 51 R N 0.465 121.001 120.500 0.060 0.000 2.643 51 R HA 0.127 4.474 4.340 0.011 0.000 0.270 51 R C 0.300 176.674 176.300 0.125 0.000 1.061 51 R CA -0.184 55.964 56.100 0.079 0.000 1.107 51 R CB 0.443 30.800 30.300 0.095 0.000 0.999 51 R HN 0.159 nan 8.270 nan 0.000 0.460 52 K N 2.719 123.170 120.400 0.086 0.000 2.368 52 K HA 0.024 4.351 4.320 0.011 0.000 0.282 52 K C -1.413 175.256 176.600 0.115 0.000 1.035 52 K CA 0.004 56.338 56.287 0.078 0.000 0.973 52 K CB 0.548 33.052 32.500 0.007 0.000 0.957 52 K HN 0.514 nan 8.250 nan 0.000 0.474 53 W N 6.330 127.578 121.300 -0.086 0.000 2.362 53 W HA 0.267 4.934 4.660 0.011 0.000 0.316 53 W C -1.034 175.339 176.519 -0.242 0.000 1.024 53 W CA -0.674 56.584 57.345 -0.145 0.000 1.270 53 W CB 0.802 30.161 29.460 -0.169 0.000 1.273 53 W HN 0.687 nan 8.180 nan 0.000 0.424 54 E N 2.786 122.590 120.200 -0.660 0.000 2.351 54 E HA 0.052 4.409 4.350 0.011 0.000 0.266 54 E C -0.005 176.126 176.600 -0.782 0.000 1.031 54 E CA 0.604 56.672 56.400 -0.552 0.000 0.911 54 E CB 0.722 30.160 29.700 -0.435 0.000 0.986 54 E HN 0.182 nan 8.360 nan 0.000 0.446 55 S N 5.074 120.366 115.700 -0.680 0.000 2.139 55 S HA 0.226 4.703 4.470 0.011 0.000 0.183 55 S C -2.285 172.038 174.600 -0.461 0.000 1.473 55 S CA -1.062 56.412 58.200 -1.211 0.000 1.263 55 S CB 0.361 62.788 63.200 -1.289 0.000 1.170 55 S HN 0.435 nan 8.310 nan 0.000 0.430 56 P HA 0.234 nan 4.420 nan 0.000 0.276 56 P C -0.340 177.188 177.300 0.381 0.000 1.261 56 P CA -0.441 62.743 63.100 0.141 0.000 0.800 56 P CB 0.779 32.529 31.700 0.084 0.000 1.066 57 E N -0.444 119.898 120.200 0.237 0.000 2.452 57 E HA 0.254 4.611 4.350 0.011 0.000 0.261 57 E C 1.031 177.729 176.600 0.163 0.000 0.987 57 E CA 1.051 57.578 56.400 0.213 0.000 0.926 57 E CB -0.297 29.476 29.700 0.121 0.000 0.934 57 E HN 0.828 nan 8.360 nan 0.000 0.452 58 G N 2.054 110.907 108.800 0.089 0.000 2.253 58 G HA2 -0.179 3.788 3.960 0.011 0.000 0.209 58 G HA3 -0.179 3.788 3.960 0.011 0.000 0.209 58 G C 0.426 175.249 174.900 -0.129 0.000 0.997 58 G CA -0.353 44.746 45.100 -0.002 0.000 0.640 58 G HN 0.808 nan 8.290 nan 0.000 0.496 59 G N -0.637 108.014 108.800 -0.248 0.000 2.521 59 G HA2 0.694 4.661 3.960 0.011 0.000 0.323 59 G HA3 0.694 4.661 3.960 0.011 0.000 0.323 59 G C -0.864 173.234 174.900 -1.338 0.000 1.211 59 G CA -0.648 43.919 45.100 -0.890 0.000 0.979 59 G HN 0.880 nan 8.290 nan 0.000 0.490 60 L N 0.501 120.959 121.223 -1.275 0.000 2.277 60 L HA 0.591 4.938 4.340 0.011 0.000 0.284 60 L C -1.387 175.123 176.870 -0.601 0.000 1.028 60 L CA -1.112 53.288 54.840 -0.733 0.000 0.835 60 L CB 0.308 42.185 42.059 -0.304 0.000 1.215 60 L HN 0.516 nan 8.230 nan 0.000 0.425 61 W N 7.663 129.014 121.300 0.085 0.000 2.362 61 W HA 0.625 5.290 4.660 0.009 0.000 0.316 61 W C -0.881 175.656 176.519 0.029 0.000 1.024 61 W CA -0.990 56.383 57.345 0.047 0.000 1.270 61 W CB 1.027 30.518 29.460 0.051 0.000 1.273 61 W HN 0.390 nan 8.180 nan 0.000 0.424 62 L N 0.557 121.890 121.223 0.182 0.000 2.479 62 L HA 0.937 5.284 4.340 0.011 0.000 0.255 62 L C -0.490 176.404 176.870 0.039 0.000 1.026 62 L CA -1.090 53.822 54.840 0.121 0.000 0.842 62 L CB 1.950 44.107 42.059 0.163 0.000 1.444 62 L HN 0.073 nan 8.230 nan 0.000 0.409 63 S N 0.724 116.446 115.700 0.037 0.000 2.549 63 S HA 0.858 5.335 4.470 0.011 0.000 0.280 63 S C -0.861 173.746 174.600 0.011 0.000 1.109 63 S CA -0.404 57.793 58.200 -0.004 0.000 0.905 63 S CB 1.585 64.780 63.200 -0.009 0.000 1.081 63 S HN 0.593 nan 8.310 nan 0.000 0.477 64 I N 1.787 122.336 120.570 -0.034 0.000 2.465 64 I HA 0.399 4.576 4.170 0.011 0.000 0.291 64 I C -0.733 175.346 176.117 -0.064 0.000 1.014 64 I CA -0.986 60.284 61.300 -0.049 0.000 1.093 64 I CB 1.883 39.815 38.000 -0.112 0.000 1.267 64 I HN 0.265 nan 8.210 nan 0.000 0.431 65 V N 7.292 127.187 119.914 -0.033 0.000 2.488 65 V HA 0.366 4.493 4.120 0.011 0.000 0.277 65 V C 0.095 176.147 176.094 -0.070 0.000 1.046 65 V CA -0.105 62.179 62.300 -0.027 0.000 0.986 65 V CB 0.941 32.777 31.823 0.021 0.000 0.989 65 V HN 0.450 nan 8.190 nan 0.000 0.475 66 L N 4.008 125.187 121.223 -0.073 0.000 2.388 66 L HA 0.594 4.941 4.340 0.011 0.000 0.264 66 L C 0.027 176.922 176.870 0.042 0.000 0.998 66 L CA -0.368 54.423 54.840 -0.081 0.000 0.817 66 L CB 2.456 44.393 42.059 -0.203 0.000 1.338 66 L HN 0.510 nan 8.230 nan 0.000 0.414 67 S N 1.509 117.286 115.700 0.127 0.000 2.327 67 S HA 0.255 4.732 4.470 0.011 0.000 0.203 67 S C -2.535 172.187 174.600 0.204 0.000 1.326 67 S CA -0.833 57.452 58.200 0.141 0.000 1.248 67 S CB 0.342 63.607 63.200 0.109 0.000 1.199 67 S HN 0.374 nan 8.310 nan 0.000 0.422 68 P HA 0.148 nan 4.420 nan 0.000 0.266 68 P C -0.499 176.893 177.300 0.153 0.000 1.215 68 P CA -0.271 63.011 63.100 0.303 0.000 0.763 68 P CB 0.476 32.438 31.700 0.436 0.000 0.806 69 K N 3.408 123.856 120.400 0.080 0.000 2.518 69 K HA 0.251 4.578 4.320 0.011 0.000 0.244 69 K C 0.309 176.896 176.600 -0.021 0.000 1.232 69 K CA -0.365 55.940 56.287 0.029 0.000 1.189 69 K CB -0.248 32.260 32.500 0.013 0.000 1.737 69 K HN 0.358 nan 8.250 nan 0.000 0.333 70 V N -1.770 118.139 119.914 -0.008 0.000 3.126 70 V HA 0.663 4.790 4.120 0.011 0.000 0.314 70 V C -2.624 173.460 176.094 -0.016 0.000 1.138 70 V CA -2.783 59.476 62.300 -0.069 0.000 1.034 70 V CB 1.515 33.227 31.823 -0.185 0.000 1.075 70 V HN 0.109 nan 8.190 nan 0.000 0.442 71 P HA 0.131 nan 4.420 nan 0.000 0.265 71 P C 0.237 177.559 177.300 0.036 0.000 1.187 71 P CA 0.281 63.381 63.100 -0.000 0.000 0.766 71 P CB 0.471 32.164 31.700 -0.012 0.000 0.820 72 Q N 2.420 122.248 119.800 0.047 0.000 2.297 72 Q HA -0.220 4.127 4.340 0.011 0.000 0.208 72 Q C 1.595 177.647 176.000 0.086 0.000 0.981 72 Q CA 1.833 57.674 55.803 0.064 0.000 0.876 72 Q CB -0.365 28.404 28.738 0.052 0.000 0.921 72 Q HN 0.448 nan 8.270 nan 0.000 0.446 73 K N -0.974 119.480 120.400 0.090 0.000 2.432 73 K HA -0.040 4.287 4.320 0.011 0.000 0.196 73 K C 0.632 177.315 176.600 0.137 0.000 1.038 73 K CA 1.425 57.791 56.287 0.133 0.000 0.986 73 K CB 0.233 32.821 32.500 0.148 0.000 0.782 73 K HN 0.064 nan 8.250 nan 0.000 0.485 74 D N 0.492 120.964 120.400 0.120 0.000 2.367 74 D HA 0.092 4.739 4.640 0.011 0.000 0.207 74 D C 1.614 178.099 176.300 0.307 0.000 1.034 74 D CA 0.204 54.314 54.000 0.184 0.000 0.861 74 D CB 0.216 41.065 40.800 0.081 0.000 0.943 74 D HN 0.169 nan 8.370 nan 0.000 0.515 75 L N 1.287 122.641 121.223 0.218 0.000 2.042 75 L HA -0.133 4.214 4.340 0.011 0.000 0.210 75 L C -0.550 176.400 176.870 0.133 0.000 1.076 75 L CA 1.377 56.335 54.840 0.197 0.000 0.749 75 L CB -1.666 40.467 42.059 0.123 0.000 0.893 75 L HN -0.005 nan 8.230 nan 0.000 0.432 76 P HA -0.168 nan 4.420 nan 0.000 0.226 76 P C 1.041 178.364 177.300 0.038 0.000 1.146 76 P CA 1.297 64.455 63.100 0.097 0.000 0.773 76 P CB -0.077 31.677 31.700 0.090 0.000 0.772 77 K N -1.011 119.438 120.400 0.081 0.000 2.426 77 K HA 0.077 4.404 4.320 0.011 0.000 0.193 77 K C 1.615 178.094 176.600 -0.202 0.000 1.028 77 K CA 0.069 56.379 56.287 0.038 0.000 1.047 77 K CB -0.148 32.584 32.500 0.388 0.000 0.821 77 K HN 0.084 nan 8.250 nan 0.000 0.513 78 I N 0.845 121.268 120.570 -0.244 0.000 2.264 78 I HA -0.242 3.934 4.170 0.011 0.000 0.248 78 I C 2.270 178.214 176.117 -0.289 0.000 1.111 78 I CA 1.173 62.279 61.300 -0.325 0.000 1.382 78 I CB -0.962 36.922 38.000 -0.192 0.000 1.060 78 I HN -0.023 nan 8.210 nan 0.000 0.418 79 V N 0.833 120.527 119.914 -0.368 0.000 2.469 79 V HA -0.291 3.836 4.120 0.011 0.000 0.251 79 V C 2.416 178.341 176.094 -0.280 0.000 1.064 79 V CA 1.741 63.797 62.300 -0.407 0.000 1.066 79 V CB -0.480 30.953 31.823 -0.650 0.000 0.667 79 V HN 0.153 nan 8.190 nan 0.000 0.461 80 F N -0.145 119.693 119.950 -0.187 0.000 2.234 80 F HA -0.027 4.506 4.527 0.010 0.000 0.299 80 F C 2.130 177.859 175.800 -0.119 0.000 1.087 80 F CA 1.040 58.959 58.000 -0.135 0.000 1.340 80 F CB -0.999 37.961 39.000 -0.066 0.000 1.031 80 F HN 0.132 nan 8.300 nan 0.000 0.500 81 L N -0.370 120.862 121.223 0.016 0.000 2.013 81 L HA -0.202 4.145 4.340 0.011 0.000 0.212 81 L C 2.772 179.619 176.870 -0.038 0.000 1.073 81 L CA 1.643 56.458 54.840 -0.042 0.000 0.753 81 L CB -1.526 40.446 42.059 -0.145 0.000 0.890 81 L HN 0.269 nan 8.230 nan 0.000 0.432 82 G N -0.632 108.122 108.800 -0.075 0.000 2.421 82 G HA2 -0.226 3.740 3.960 0.011 0.000 0.216 82 G HA3 -0.226 3.740 3.960 0.011 0.000 0.216 82 G C 1.778 176.651 174.900 -0.045 0.000 1.171 82 G CA 0.840 45.892 45.100 -0.079 0.000 0.775 82 G HN 0.475 nan 8.290 nan 0.000 0.543 83 A N 0.165 122.972 122.820 -0.021 0.000 1.865 83 A HA 0.014 4.341 4.320 0.011 0.000 0.217 83 A C 2.623 180.216 177.584 0.015 0.000 1.191 83 A CA 2.060 54.101 52.037 0.006 0.000 0.623 83 A CB -0.823 18.210 19.000 0.055 0.000 0.826 83 A HN 0.283 nan 8.150 nan 0.000 0.444 84 V N 0.011 119.941 119.914 0.027 0.000 2.343 84 V HA -0.182 3.945 4.120 0.011 0.000 0.247 84 V C 2.831 178.930 176.094 0.010 0.000 1.051 84 V CA 1.909 64.220 62.300 0.018 0.000 1.036 84 V CB -1.551 30.287 31.823 0.024 0.000 0.654 84 V HN 0.640 nan 8.190 nan 0.000 0.451 85 G N -0.081 108.719 108.800 0.000 0.000 2.476 85 G HA2 -0.242 3.724 3.960 0.011 0.000 0.218 85 G HA3 -0.242 3.724 3.960 0.011 0.000 0.218 85 G C 1.679 176.574 174.900 -0.007 0.000 1.164 85 G CA 1.372 46.467 45.100 -0.009 0.000 0.768 85 G HN 0.390 nan 8.290 nan 0.000 0.560 86 V N 0.330 120.237 119.914 -0.012 0.000 2.343 86 V HA -0.170 3.957 4.120 0.011 0.000 0.247 86 V C 3.035 179.135 176.094 0.010 0.000 1.051 86 V CA 1.473 63.768 62.300 -0.008 0.000 1.036 86 V CB -0.373 31.443 31.823 -0.011 0.000 0.654 86 V HN 0.254 nan 8.190 nan 0.000 0.451 87 V N -0.034 119.887 119.914 0.012 0.000 2.287 87 V HA -0.300 3.826 4.120 0.011 0.000 0.248 87 V C 2.443 178.554 176.094 0.028 0.000 1.053 87 V CA 2.260 64.571 62.300 0.018 0.000 1.027 87 V CB -0.657 31.173 31.823 0.012 0.000 0.646 87 V HN 0.636 nan 8.190 nan 0.000 0.447 88 E N -0.427 119.788 120.200 0.025 0.000 2.077 88 E HA -0.203 4.154 4.350 0.011 0.000 0.193 88 E C 2.288 178.922 176.600 0.056 0.000 0.989 88 E CA 1.791 58.209 56.400 0.030 0.000 0.800 88 E CB -0.304 29.408 29.700 0.020 0.000 0.746 88 E HN 0.561 nan 8.360 nan 0.000 0.452 89 T N 1.542 116.137 114.554 0.068 0.000 2.777 89 T HA -0.093 4.264 4.350 0.011 0.000 0.266 89 T C 1.953 176.794 174.700 0.235 0.000 1.040 89 T CA 0.688 62.872 62.100 0.141 0.000 1.141 89 T CB -0.150 68.773 68.868 0.092 0.000 0.868 89 T HN 0.080 nan 8.240 nan 0.000 0.444 90 L N 0.463 121.761 121.223 0.125 0.000 2.042 90 L HA -0.139 4.208 4.340 0.011 0.000 0.210 90 L C 2.654 179.618 176.870 0.157 0.000 1.076 90 L CA 1.487 56.401 54.840 0.123 0.000 0.749 90 L CB -0.434 41.654 42.059 0.049 0.000 0.893 90 L HN 0.228 nan 8.230 nan 0.000 0.432 91 K N -0.079 120.381 120.400 0.099 0.000 2.097 91 K HA -0.194 4.132 4.320 0.011 0.000 0.206 91 K C 1.949 178.584 176.600 0.057 0.000 1.049 91 K CA 1.292 57.618 56.287 0.065 0.000 0.933 91 K CB -0.070 32.451 32.500 0.034 0.000 0.717 91 K HN 0.354 nan 8.250 nan 0.000 0.442 92 E N -0.336 119.904 120.200 0.068 0.000 2.153 92 E HA -0.155 4.202 4.350 0.011 0.000 0.194 92 E C 0.965 177.457 176.600 -0.180 0.000 0.988 92 E CA 0.968 57.332 56.400 -0.060 0.000 0.811 92 E CB 0.003 29.655 29.700 -0.080 0.000 0.746 92 E HN 0.254 nan 8.360 nan 0.000 0.466 93 F N -0.067 119.878 119.950 -0.010 0.000 2.660 93 F HA 0.164 4.696 4.527 0.008 0.000 0.302 93 F C 0.691 176.487 175.800 -0.007 0.000 1.103 93 F CA -0.022 57.973 58.000 -0.008 0.000 1.340 93 F CB 0.534 39.528 39.000 -0.009 0.000 1.048 93 F HN -0.275 nan 8.300 nan 0.000 0.551 94 S N 0.740 116.509 115.700 0.114 0.000 3.672 94 S HA -0.192 4.285 4.470 0.011 0.000 0.319 94 S C 0.037 174.680 174.600 0.073 0.000 1.151 94 S CA 0.177 58.417 58.200 0.067 0.000 0.911 94 S CB -1.968 61.260 63.200 0.046 0.000 0.939 94 S HN 0.303 nan 8.310 nan 0.000 0.524 95 I N 1.398 122.021 120.570 0.088 0.000 2.404 95 I HA 0.279 4.456 4.170 0.011 0.000 0.293 95 I C 0.202 176.340 176.117 0.035 0.000 0.992 95 I CA -0.606 60.727 61.300 0.056 0.000 1.149 95 I CB 1.448 39.480 38.000 0.054 0.000 1.315 95 I HN -0.030 nan 8.210 nan 0.000 0.446 96 D N 5.904 126.313 120.400 0.016 0.000 2.551 96 D HA 0.193 4.840 4.640 0.011 0.000 0.223 96 D C 0.355 176.647 176.300 -0.013 0.000 1.144 96 D CA -0.036 53.964 54.000 0.001 0.000 1.025 96 D CB 0.298 41.094 40.800 -0.007 0.000 1.085 96 D HN 0.622 nan 8.370 nan 0.000 0.506 97 G N 2.900 111.698 108.800 -0.004 0.000 2.370 97 G HA2 0.421 4.388 3.960 0.011 0.000 0.272 97 G HA3 0.421 4.388 3.960 0.011 0.000 0.272 97 G C -0.125 174.760 174.900 -0.024 0.000 1.208 97 G CA -0.690 44.403 45.100 -0.011 0.000 0.856 97 G HN 0.393 nan 8.290 nan 0.000 0.500 98 R N 1.682 122.153 120.500 -0.048 0.000 2.670 98 R HA 0.394 4.741 4.340 0.011 0.000 0.289 98 R C -0.466 175.823 176.300 -0.017 0.000 0.965 98 R CA -0.905 55.162 56.100 -0.055 0.000 0.899 98 R CB 2.492 32.713 30.300 -0.131 0.000 1.173 98 R HN 0.413 nan 8.270 nan 0.000 0.456 99 I N 2.354 122.936 120.570 0.021 0.000 2.416 99 I HA 0.106 4.283 4.170 0.011 0.000 0.288 99 I C 0.418 176.625 176.117 0.150 0.000 1.051 99 I CA -0.071 61.273 61.300 0.073 0.000 1.375 99 I CB 0.819 38.863 38.000 0.073 0.000 1.407 99 I HN 0.327 nan 8.210 nan 0.000 0.516 100 K N 7.653 128.165 120.400 0.188 0.000 2.268 100 K HA 0.098 4.425 4.320 0.011 0.000 0.276 100 K C -0.599 176.155 176.600 0.257 0.000 1.080 100 K CA -0.649 55.822 56.287 0.306 0.000 0.910 100 K CB 0.563 33.266 32.500 0.338 0.000 1.163 100 K HN 0.514 nan 8.250 nan 0.000 0.465 101 W N 7.764 129.119 121.300 0.091 0.000 2.391 101 W HA -0.053 4.613 4.660 0.009 0.000 0.339 101 W C -1.839 174.696 176.519 0.027 0.000 1.252 101 W CA -0.805 56.585 57.345 0.076 0.000 1.304 101 W CB 0.869 30.378 29.460 0.081 0.000 1.179 101 W HN 0.553 nan 8.180 nan 0.000 0.567 102 P HA 0.026 nan 4.420 nan 0.000 0.281 102 P C 0.087 177.140 177.300 -0.412 0.000 1.291 102 P CA 0.679 63.244 63.100 -0.892 0.000 0.906 102 P CB 0.539 31.124 31.700 -1.858 0.000 1.388 103 N N -1.198 117.314 118.700 -0.314 0.000 2.118 103 N HA 0.079 4.826 4.740 0.011 0.000 0.226 103 N C -0.683 174.763 175.510 -0.107 0.000 1.305 103 N CA -0.059 52.843 53.050 -0.246 0.000 0.890 103 N CB 0.221 38.511 38.487 -0.328 0.000 1.118 103 N HN -0.125 nan 8.380 nan 0.000 0.511 104 D N 0.716 121.101 120.400 -0.025 0.000 2.228 104 D HA 0.405 5.052 4.640 0.011 0.000 0.247 104 D C -0.519 175.821 176.300 0.067 0.000 0.995 104 D CA -0.430 53.597 54.000 0.045 0.000 0.903 104 D CB 3.189 44.048 40.800 0.099 0.000 1.205 104 D HN -0.204 nan 8.370 nan 0.000 0.459 105 V N 2.240 122.198 119.914 0.074 0.000 2.448 105 V HA 0.409 4.535 4.120 0.011 0.000 0.295 105 V C 0.066 176.197 176.094 0.062 0.000 1.025 105 V CA -0.707 61.628 62.300 0.058 0.000 0.859 105 V CB 1.478 33.325 31.823 0.041 0.000 0.988 105 V HN 0.298 nan 8.190 nan 0.000 0.431 106 L N 4.640 125.876 121.223 0.023 0.000 2.330 106 L HA 0.765 5.111 4.340 0.011 0.000 0.271 106 L C -0.789 176.054 176.870 -0.046 0.000 1.013 106 L CA -1.043 53.795 54.840 -0.003 0.000 0.816 106 L CB 2.203 44.228 42.059 -0.057 0.000 1.287 106 L HN 0.313 nan 8.230 nan 0.000 0.435 107 V N 1.721 121.621 119.914 -0.023 0.000 2.409 107 V HA 0.303 4.430 4.120 0.011 0.000 0.290 107 V C -0.232 175.854 176.094 -0.013 0.000 1.017 107 V CA -0.634 61.648 62.300 -0.029 0.000 0.841 107 V CB 1.150 32.972 31.823 -0.001 0.000 1.003 107 V HN 0.881 nan 8.190 nan 0.000 0.426 108 N N 4.177 122.853 118.700 -0.040 0.000 2.735 108 N HA -0.254 4.493 4.740 0.011 0.000 0.248 108 N C 0.111 175.715 175.510 0.157 0.000 1.083 108 N CA 1.174 54.252 53.050 0.047 0.000 0.703 108 N CB -1.284 37.238 38.487 0.059 0.000 1.005 108 N HN 0.952 nan 8.380 nan 0.000 0.550 109 Y N -3.112 117.163 120.300 -0.040 0.000 4.841 109 Y HA -0.319 4.234 4.550 0.005 0.000 0.242 109 Y C 0.538 176.455 175.900 0.028 0.000 1.002 109 Y CA 1.406 59.483 58.100 -0.039 0.000 2.011 109 Y CB -1.386 37.025 38.460 -0.081 0.000 1.554 109 Y HN 0.226 nan 8.280 nan 0.000 0.618 110 K N 0.663 121.136 120.400 0.121 0.000 2.182 110 K HA 0.757 5.084 4.320 0.011 0.000 0.262 110 K C 0.149 176.801 176.600 0.088 0.000 0.957 110 K CA -0.067 56.282 56.287 0.103 0.000 0.842 110 K CB 1.433 33.977 32.500 0.073 0.000 1.099 110 K HN 0.161 nan 8.250 nan 0.000 0.438 111 A N 3.565 126.447 122.820 0.104 0.000 2.444 111 A HA 0.116 4.443 4.320 0.011 0.000 0.273 111 A C 0.603 178.255 177.584 0.114 0.000 1.136 111 A CA 0.004 52.115 52.037 0.124 0.000 0.799 111 A CB -0.336 18.752 19.000 0.148 0.000 1.081 111 A HN 0.984 nan 8.150 nan 0.000 0.509 112 I N 1.302 121.944 120.570 0.120 0.000 4.035 112 I HA 0.451 4.628 4.170 0.011 0.000 0.321 112 I C 0.673 176.901 176.117 0.184 0.000 1.289 112 I CA 0.778 62.146 61.300 0.114 0.000 1.236 112 I CB 0.216 38.252 38.000 0.061 0.000 1.076 112 I HN 0.690 nan 8.210 nan 0.000 0.418 113 A N -0.411 122.542 122.820 0.222 0.000 2.604 113 A HA 0.737 5.064 4.320 0.011 0.000 0.295 113 A C -0.759 176.952 177.584 0.212 0.000 1.067 113 A CA -0.134 52.056 52.037 0.255 0.000 0.683 113 A CB 1.018 20.085 19.000 0.112 0.000 1.281 113 A HN 0.165 nan 8.150 nan 0.000 0.407 114 G N -0.361 108.466 108.800 0.045 0.000 2.638 114 G HA2 0.629 4.596 3.960 0.011 0.000 0.302 114 G HA3 0.629 4.596 3.960 0.011 0.000 0.302 114 G C -1.494 173.203 174.900 -0.337 0.000 1.365 114 G CA -0.510 44.471 45.100 -0.199 0.000 0.987 114 G HN 1.126 nan 8.290 nan 0.000 0.495 115 V N 1.571 121.331 119.914 -0.257 0.000 2.555 115 V HA 0.680 4.807 4.120 0.011 0.000 0.302 115 V C -0.743 175.191 176.094 -0.266 0.000 1.038 115 V CA -0.813 61.334 62.300 -0.255 0.000 0.887 115 V CB 1.656 33.361 31.823 -0.197 0.000 0.991 115 V HN 0.682 nan 8.190 nan 0.000 0.434 116 L N 5.658 126.729 121.223 -0.254 0.000 2.441 116 L HA 0.671 5.018 4.340 0.011 0.000 0.270 116 L C -0.817 175.963 176.870 -0.150 0.000 0.973 116 L CA -0.041 54.680 54.840 -0.198 0.000 0.842 116 L CB 1.886 43.816 42.059 -0.214 0.000 1.239 116 L HN 0.439 nan 8.230 nan 0.000 0.406 117 V N 4.694 124.537 119.914 -0.119 0.000 2.394 117 V HA 0.574 4.701 4.120 0.011 0.000 0.282 117 V C -0.235 175.832 176.094 -0.045 0.000 1.031 117 V CA -0.488 61.759 62.300 -0.089 0.000 0.881 117 V CB 1.530 33.294 31.823 -0.098 0.000 0.982 117 V HN 0.781 nan 8.190 nan 0.000 0.451 118 E N 2.520 122.697 120.200 -0.039 0.000 2.317 118 E HA 0.822 5.179 4.350 0.011 0.000 0.270 118 E C -0.001 176.587 176.600 -0.020 0.000 0.885 118 E CA -0.577 55.811 56.400 -0.019 0.000 0.760 118 E CB 2.743 32.443 29.700 -0.001 0.000 1.227 118 E HN 0.888 nan 8.360 nan 0.000 0.434 119 G N 1.074 109.865 108.800 -0.015 0.000 2.325 119 G HA2 0.379 4.346 3.960 0.011 0.000 0.295 119 G HA3 0.379 4.346 3.960 0.011 0.000 0.295 119 G C -1.695 173.201 174.900 -0.007 0.000 1.274 119 G CA -0.872 44.222 45.100 -0.010 0.000 0.857 119 G HN 0.392 nan 8.290 nan 0.000 0.499 120 K N -0.629 119.773 120.400 0.002 0.000 3.302 120 K HA 0.494 4.820 4.320 0.011 0.000 0.186 120 K C 0.583 177.192 176.600 0.015 0.000 1.232 120 K CA 0.277 56.566 56.287 0.005 0.000 0.756 120 K CB 0.668 33.166 32.500 -0.002 0.000 1.076 120 K HN 2.422 nan 8.250 nan 0.000 0.544 121 G N 2.775 111.590 108.800 0.024 0.000 3.226 121 G HA2 -0.429 3.537 3.960 0.011 0.000 0.270 121 G HA3 -0.429 3.537 3.960 0.011 0.000 0.270 121 G C 0.616 175.542 174.900 0.044 0.000 1.592 121 G CA 0.739 45.859 45.100 0.034 0.000 1.055 121 G HN 0.495 nan 8.290 nan 0.000 0.582 122 D N 1.239 121.663 120.400 0.041 0.000 2.219 122 D HA 0.041 4.688 4.640 0.011 0.000 0.205 122 D C 1.073 177.404 176.300 0.052 0.000 0.970 122 D CA 1.871 55.900 54.000 0.049 0.000 0.851 122 D CB 0.060 40.887 40.800 0.045 0.000 0.943 122 D HN 0.511 nan 8.370 nan 0.000 0.488 123 K N 0.382 120.805 120.400 0.038 0.000 2.450 123 K HA 0.317 4.644 4.320 0.011 0.000 0.257 123 K C -1.414 175.196 176.600 0.016 0.000 0.953 123 K CA -0.728 55.577 56.287 0.029 0.000 0.844 123 K CB 0.873 33.385 32.500 0.019 0.000 1.103 123 K HN -0.071 nan 8.250 nan 0.000 0.429 124 I N 4.506 125.084 120.570 0.013 0.000 2.474 124 I HA 0.323 4.500 4.170 0.011 0.000 0.294 124 I C -0.474 175.625 176.117 -0.031 0.000 1.005 124 I CA -1.010 60.287 61.300 -0.005 0.000 1.113 124 I CB 1.828 39.832 38.000 0.007 0.000 1.289 124 I HN 0.316 nan 8.210 nan 0.000 0.436 125 V N 6.624 126.514 119.914 -0.040 0.000 2.357 125 V HA 0.308 4.435 4.120 0.011 0.000 0.284 125 V C -0.274 175.774 176.094 -0.076 0.000 1.018 125 V CA -0.724 61.545 62.300 -0.051 0.000 0.841 125 V CB 2.021 33.823 31.823 -0.036 0.000 0.991 125 V HN 0.450 nan 8.190 nan 0.000 0.437 126 L N 5.796 126.960 121.223 -0.098 0.000 2.259 126 L HA 0.796 5.143 4.340 0.011 0.000 0.288 126 L C 0.556 177.356 176.870 -0.116 0.000 1.051 126 L CA 0.313 55.079 54.840 -0.123 0.000 0.824 126 L CB 0.659 42.627 42.059 -0.152 0.000 1.206 126 L HN 0.648 nan 8.230 nan 0.000 0.429 127 G N 6.103 114.821 108.800 -0.136 0.000 2.356 127 G HA2 0.655 4.622 3.960 0.011 0.000 0.322 127 G HA3 0.655 4.622 3.960 0.011 0.000 0.322 127 G C -0.912 173.879 174.900 -0.182 0.000 1.125 127 G CA -0.459 44.549 45.100 -0.154 0.000 0.885 127 G HN 0.593 nan 8.290 nan 0.000 0.467 128 I N 1.223 121.707 120.570 -0.144 0.000 2.534 128 I HA 0.471 4.647 4.170 0.011 0.000 0.288 128 I C 0.208 176.287 176.117 -0.062 0.000 1.077 128 I CA -0.862 60.358 61.300 -0.135 0.000 1.051 128 I CB 2.683 40.633 38.000 -0.084 0.000 1.234 128 I HN 0.598 nan 8.210 nan 0.000 0.425 129 G N 6.241 114.980 108.800 -0.102 0.000 2.502 129 G HA2 0.646 4.612 3.960 0.011 0.000 0.311 129 G HA3 0.646 4.612 3.960 0.011 0.000 0.311 129 G C -1.653 173.479 174.900 0.386 0.000 1.270 129 G CA -0.348 44.920 45.100 0.281 0.000 0.948 129 G HN 0.366 nan 8.290 nan 0.000 0.487 130 L N 2.356 123.719 121.223 0.234 0.000 2.376 130 L HA 0.508 4.854 4.340 0.011 0.000 0.275 130 L C -0.899 175.927 176.870 -0.075 0.000 0.987 130 L CA -1.098 53.794 54.840 0.086 0.000 0.828 130 L CB 1.654 43.685 42.059 -0.047 0.000 1.249 130 L HN 0.360 nan 8.230 nan 0.000 0.409 131 N N 4.168 122.918 118.700 0.084 0.000 2.420 131 N HA 0.230 4.977 4.740 0.011 0.000 0.262 131 N C 0.363 175.826 175.510 -0.079 0.000 1.144 131 N CA -0.051 53.016 53.050 0.028 0.000 0.952 131 N CB 2.003 40.558 38.487 0.113 0.000 1.081 131 N HN 0.553 nan 8.380 nan 0.000 0.480 132 V N 2.390 122.214 119.914 -0.150 0.000 3.204 132 V HA 0.095 4.221 4.120 0.011 0.000 0.218 132 V C 1.214 177.249 176.094 -0.099 0.000 1.159 132 V CA 0.464 62.670 62.300 -0.157 0.000 1.282 132 V CB 0.006 31.699 31.823 -0.218 0.000 1.225 132 V HN 0.579 nan 8.190 nan 0.000 0.509 133 N N 1.071 119.721 118.700 -0.084 0.000 2.184 133 N HA 0.101 4.848 4.740 0.011 0.000 0.206 133 N C 0.092 175.599 175.510 -0.005 0.000 1.151 133 N CA -0.077 52.948 53.050 -0.041 0.000 0.878 133 N CB 0.132 38.595 38.487 -0.041 0.000 1.014 133 N HN 0.650 nan 8.380 nan 0.000 0.512 134 N N 1.008 119.718 118.700 0.018 0.000 2.467 134 N HA 0.078 4.825 4.740 0.011 0.000 0.262 134 N C -0.114 175.430 175.510 0.057 0.000 1.234 134 N CA 0.028 53.122 53.050 0.073 0.000 0.952 134 N CB 1.438 40.040 38.487 0.190 0.000 1.158 134 N HN -0.154 nan 8.380 nan 0.000 0.463 135 K N -0.175 120.254 120.400 0.049 0.000 2.295 135 K HA 0.249 4.576 4.320 0.011 0.000 0.270 135 K C -0.040 176.568 176.600 0.014 0.000 1.011 135 K CA -0.538 55.761 56.287 0.021 0.000 0.953 135 K CB 0.884 33.390 32.500 0.009 0.000 0.956 135 K HN 0.559 nan 8.250 nan 0.000 0.477 136 V N -0.509 119.399 119.914 -0.010 0.000 3.074 136 V HA 0.621 4.748 4.120 0.011 0.000 0.314 136 V C -2.414 173.641 176.094 -0.065 0.000 1.117 136 V CA -2.031 60.244 62.300 -0.042 0.000 1.014 136 V CB 1.398 33.205 31.823 -0.027 0.000 1.057 136 V HN 0.731 nan 8.190 nan 0.000 0.438 137 P HA 0.211 nan 4.420 nan 0.000 0.276 137 P C -0.369 176.895 177.300 -0.061 0.000 1.252 137 P CA -0.456 62.588 63.100 -0.094 0.000 0.802 137 P CB 0.650 32.265 31.700 -0.141 0.000 1.035 138 N N -0.151 118.524 118.700 -0.042 0.000 2.454 138 N HA 0.050 4.797 4.740 0.011 0.000 0.254 138 N C 1.174 176.676 175.510 -0.013 0.000 1.228 138 N CA 1.531 54.569 53.050 -0.021 0.000 0.900 138 N CB 0.102 38.581 38.487 -0.014 0.000 1.089 138 N HN 0.774 nan 8.380 nan 0.000 0.449 139 G N 1.024 109.828 108.800 0.007 0.000 2.234 139 G HA2 -0.179 3.787 3.960 0.011 0.000 0.235 139 G HA3 -0.179 3.787 3.960 0.011 0.000 0.235 139 G C -0.014 174.906 174.900 0.034 0.000 0.997 139 G CA 0.316 45.432 45.100 0.028 0.000 0.623 139 G HN 0.944 nan 8.290 nan 0.000 0.514 140 A N -1.199 121.625 122.820 0.006 0.000 2.309 140 A HA 0.994 5.321 4.320 0.011 0.000 0.317 140 A C 0.125 177.719 177.584 0.017 0.000 1.134 140 A CA 0.680 52.722 52.037 0.010 0.000 0.866 140 A CB 1.823 20.797 19.000 -0.042 0.000 1.329 140 A HN 1.333 nan 8.150 nan 0.000 0.477 141 T N -1.373 113.197 114.554 0.027 0.000 2.754 141 T HA 0.707 5.064 4.350 0.011 0.000 0.296 141 T C -0.746 173.969 174.700 0.026 0.000 1.205 141 T CA 0.286 62.401 62.100 0.024 0.000 1.009 141 T CB 1.260 70.145 68.868 0.028 0.000 1.368 141 T HN 1.954 nan 8.240 nan 0.000 0.509 142 S N 0.273 115.981 115.700 0.014 0.000 2.651 142 S HA 0.485 4.962 4.470 0.011 0.000 0.279 142 S C 1.165 175.754 174.600 -0.017 0.000 1.148 142 S CA -0.856 57.346 58.200 0.003 0.000 0.837 142 S CB 1.208 64.408 63.200 0.000 0.000 1.138 142 S HN 0.731 nan 8.310 nan 0.000 0.478 143 M N 1.188 120.758 119.600 -0.049 0.000 2.117 143 M HA -0.057 4.429 4.480 0.011 0.000 0.262 143 M C 2.311 178.584 176.300 -0.045 0.000 1.065 143 M CA 1.806 57.064 55.300 -0.070 0.000 1.114 143 M CB -0.568 31.938 32.600 -0.157 0.000 1.361 143 M HN 0.885 nan 8.290 nan 0.000 0.408 144 K N 1.196 121.569 120.400 -0.045 0.000 2.032 144 K HA -0.154 4.172 4.320 0.011 0.000 0.209 144 K C 1.783 178.378 176.600 -0.008 0.000 1.048 144 K CA 1.358 57.631 56.287 -0.025 0.000 0.927 144 K CB -0.177 32.309 32.500 -0.024 0.000 0.712 144 K HN 0.294 nan 8.250 nan 0.000 0.441 145 L N 0.846 122.066 121.223 -0.006 0.000 2.131 145 L HA -0.159 4.187 4.340 0.011 0.000 0.210 145 L C 2.438 179.312 176.870 0.006 0.000 1.092 145 L CA 0.977 55.819 54.840 0.002 0.000 0.759 145 L CB -0.294 41.768 42.059 0.005 0.000 0.903 145 L HN 0.250 nan 8.230 nan 0.000 0.435 146 E N 0.004 120.207 120.200 0.005 0.000 2.112 146 E HA -0.074 4.283 4.350 0.011 0.000 0.190 146 E C 2.267 178.877 176.600 0.015 0.000 0.979 146 E CA 0.982 57.388 56.400 0.011 0.000 0.814 146 E CB 0.002 29.708 29.700 0.010 0.000 0.762 146 E HN 0.484 nan 8.360 nan 0.000 0.460 147 L N -0.670 120.563 121.223 0.016 0.000 2.446 147 L HA 0.147 4.494 4.340 0.011 0.000 0.219 147 L C 1.388 178.270 176.870 0.020 0.000 1.116 147 L CA 0.534 55.389 54.840 0.025 0.000 0.844 147 L CB -0.044 42.038 42.059 0.038 0.000 0.970 147 L HN 0.233 nan 8.230 nan 0.000 0.457 148 G N 0.684 109.492 108.800 0.013 0.000 2.143 148 G HA2 -0.270 3.696 3.960 0.011 0.000 0.248 148 G HA3 -0.270 3.696 3.960 0.011 0.000 0.248 148 G C 0.161 175.068 174.900 0.011 0.000 0.991 148 G CA 0.341 45.448 45.100 0.011 0.000 0.689 148 G HN 0.501 nan 8.290 nan 0.000 0.522 149 S N -1.254 114.453 115.700 0.012 0.000 2.547 149 S HA 0.623 5.100 4.470 0.011 0.000 0.270 149 S C -0.547 174.058 174.600 0.007 0.000 1.150 149 S CA -0.105 58.102 58.200 0.012 0.000 0.850 149 S CB 1.977 65.189 63.200 0.020 0.000 1.118 149 S HN 1.302 nan 8.310 nan 0.000 0.461 150 E N 0.933 121.135 120.200 0.003 0.000 2.390 150 E HA 0.530 4.887 4.350 0.011 0.000 0.261 150 E C -0.958 175.641 176.600 -0.002 0.000 1.076 150 E CA -0.821 55.574 56.400 -0.008 0.000 0.905 150 E CB 0.820 30.515 29.700 -0.008 0.000 0.984 150 E HN 0.469 nan 8.360 nan 0.000 0.427 151 V N 3.811 123.707 119.914 -0.030 0.000 2.555 151 V HA 0.328 4.455 4.120 0.011 0.000 0.302 151 V C -2.248 173.826 176.094 -0.033 0.000 1.038 151 V CA -2.319 59.964 62.300 -0.028 0.000 0.887 151 V CB 1.465 33.199 31.823 -0.149 0.000 0.991 151 V HN 0.778 nan 8.190 nan 0.000 0.434 152 P HA 0.049 nan 4.420 nan 0.000 0.260 152 P C 0.632 177.924 177.300 -0.012 0.000 1.207 152 P CA -0.041 63.069 63.100 0.017 0.000 0.780 152 P CB 0.574 32.311 31.700 0.062 0.000 0.789 153 L N 5.453 126.649 121.223 -0.045 0.000 2.079 153 L HA -0.175 4.172 4.340 0.011 0.000 0.210 153 L C 1.759 178.623 176.870 -0.010 0.000 1.081 153 L CA 1.863 56.662 54.840 -0.067 0.000 0.752 153 L CB -1.193 40.812 42.059 -0.090 0.000 0.896 153 L HN 0.288 nan 8.230 nan 0.000 0.433 154 L N -1.355 119.867 121.223 -0.001 0.000 2.083 154 L HA -0.138 4.209 4.340 0.011 0.000 0.209 154 L C 2.429 179.385 176.870 0.143 0.000 1.083 154 L CA 1.876 56.742 54.840 0.043 0.000 0.752 154 L CB -0.763 41.287 42.059 -0.015 0.000 0.899 154 L HN 0.263 nan 8.230 nan 0.000 0.433 155 S N -1.167 114.611 115.700 0.130 0.000 2.383 155 S HA -0.133 4.344 4.470 0.011 0.000 0.227 155 S C 1.947 176.708 174.600 0.269 0.000 1.026 155 S CA 1.344 59.668 58.200 0.207 0.000 0.981 155 S CB -0.372 62.987 63.200 0.265 0.000 0.818 155 S HN 0.357 nan 8.310 nan 0.000 0.472 156 V N 1.328 121.327 119.914 0.143 0.000 2.358 156 V HA -0.150 3.977 4.120 0.011 0.000 0.246 156 V C 1.854 177.995 176.094 0.079 0.000 1.047 156 V CA 1.735 64.041 62.300 0.011 0.000 1.035 156 V CB -0.779 30.910 31.823 -0.225 0.000 0.658 156 V HN 0.498 nan 8.190 nan 0.000 0.452 157 F N 1.455 121.386 119.950 -0.032 0.000 2.069 157 F HA -0.209 4.323 4.527 0.009 0.000 0.298 157 F C 2.627 178.432 175.800 0.008 0.000 1.113 157 F CA 1.898 59.882 58.000 -0.026 0.000 1.214 157 F CB -0.289 38.690 39.000 -0.034 0.000 0.978 157 F HN -0.052 nan 8.300 nan 0.000 0.474 158 R N -0.317 120.265 120.500 0.137 0.000 2.083 158 R HA -0.185 4.162 4.340 0.011 0.000 0.237 158 R C 2.629 178.904 176.300 -0.042 0.000 1.137 158 R CA 1.553 57.672 56.100 0.031 0.000 0.951 158 R CB -0.978 29.395 30.300 0.122 0.000 0.851 158 R HN 0.372 nan 8.270 nan 0.000 0.434 159 S N 0.938 116.662 115.700 0.040 0.000 2.353 159 S HA -0.154 4.323 4.470 0.011 0.000 0.222 159 S C 1.926 176.515 174.600 -0.019 0.000 1.035 159 S CA 1.255 59.487 58.200 0.054 0.000 1.025 159 S CB -0.226 63.103 63.200 0.215 0.000 0.902 159 S HN 0.235 nan 8.310 nan 0.000 0.440 160 L N 1.633 122.818 121.223 -0.064 0.000 2.046 160 L HA 0.007 4.354 4.340 0.011 0.000 0.208 160 L C 2.120 178.882 176.870 -0.179 0.000 1.077 160 L CA 1.657 56.429 54.840 -0.112 0.000 0.747 160 L CB -0.717 41.262 42.059 -0.134 0.000 0.896 160 L HN 0.342 nan 8.230 nan 0.000 0.432 161 I N -0.717 119.661 120.570 -0.320 0.000 2.226 161 I HA -0.256 3.921 4.170 0.011 0.000 0.245 161 I C 2.372 178.396 176.117 -0.156 0.000 1.100 161 I CA 1.569 62.678 61.300 -0.318 0.000 1.374 161 I CB -1.820 35.864 38.000 -0.527 0.000 1.057 161 I HN 0.285 nan 8.210 nan 0.000 0.413 162 T N 1.474 115.958 114.554 -0.116 0.000 2.746 162 T HA -0.137 4.219 4.350 0.011 0.000 0.267 162 T C 1.761 176.443 174.700 -0.029 0.000 1.039 162 T CA 1.384 63.453 62.100 -0.051 0.000 1.142 162 T CB -0.190 68.659 68.868 -0.032 0.000 0.866 162 T HN 0.283 nan 8.240 nan 0.000 0.444 163 N N 1.204 119.884 118.700 -0.033 0.000 2.106 163 N HA 0.038 4.785 4.740 0.011 0.000 0.188 163 N C 1.932 177.439 175.510 -0.004 0.000 1.029 163 N CA 0.872 53.915 53.050 -0.012 0.000 0.848 163 N CB -0.507 37.974 38.487 -0.009 0.000 1.007 163 N HN 0.343 nan 8.380 nan 0.000 0.423 164 L N 0.629 121.835 121.223 -0.029 0.000 2.083 164 L HA -0.173 4.174 4.340 0.011 0.000 0.209 164 L C 2.073 178.966 176.870 0.039 0.000 1.083 164 L CA 1.186 56.015 54.840 -0.017 0.000 0.752 164 L CB -0.457 41.558 42.059 -0.073 0.000 0.899 164 L HN 0.094 nan 8.230 nan 0.000 0.433 165 D N 0.110 120.526 120.400 0.026 0.000 2.097 165 D HA -0.238 4.409 4.640 0.011 0.000 0.195 165 D C 2.327 178.694 176.300 0.111 0.000 0.989 165 D CA 1.261 55.309 54.000 0.082 0.000 0.827 165 D CB 0.073 40.898 40.800 0.041 0.000 0.966 165 D HN 0.054 nan 8.370 nan 0.000 0.456 166 R N -0.235 120.305 120.500 0.067 0.000 2.073 166 R HA -0.097 4.249 4.340 0.011 0.000 0.234 166 R C 2.480 178.830 176.300 0.083 0.000 1.134 166 R CA 1.160 57.296 56.100 0.061 0.000 0.952 166 R CB -0.397 29.925 30.300 0.036 0.000 0.850 166 R HN 0.255 nan 8.270 nan 0.000 0.433 167 L N -0.329 120.948 121.223 0.090 0.000 2.042 167 L HA -0.226 4.121 4.340 0.011 0.000 0.210 167 L C 2.488 179.468 176.870 0.183 0.000 1.076 167 L CA 1.438 56.345 54.840 0.111 0.000 0.749 167 L CB -0.645 41.462 42.059 0.080 0.000 0.893 167 L HN 0.281 nan 8.230 nan 0.000 0.432 168 Y N 0.516 120.850 120.300 0.057 0.000 2.163 168 Y HA -0.218 4.338 4.550 0.011 0.000 0.288 168 Y C 2.329 178.323 175.900 0.157 0.000 1.136 168 Y CA 1.336 59.497 58.100 0.102 0.000 1.147 168 Y CB -0.270 38.219 38.460 0.048 0.000 0.987 168 Y HN -0.009 nan 8.280 nan 0.000 0.509 169 L N 0.040 121.296 121.223 0.055 0.000 2.042 169 L HA -0.279 4.068 4.340 0.011 0.000 0.210 169 L C 2.259 179.100 176.870 -0.048 0.000 1.076 169 L CA 1.961 56.775 54.840 -0.044 0.000 0.749 169 L CB -0.696 41.377 42.059 0.023 0.000 0.893 169 L HN 0.260 nan 8.230 nan 0.000 0.432 170 N N -0.047 118.665 118.700 0.022 0.000 2.270 170 N HA -0.222 4.525 4.740 0.011 0.000 0.181 170 N C 1.700 177.229 175.510 0.031 0.000 1.016 170 N CA 0.847 53.910 53.050 0.022 0.000 0.870 170 N CB -0.146 38.370 38.487 0.048 0.000 0.979 170 N HN 0.228 nan 8.380 nan 0.000 0.431 171 F N 0.942 120.842 119.950 -0.084 0.000 2.134 171 F HA 0.006 4.541 4.527 0.012 0.000 0.299 171 F C 1.686 177.406 175.800 -0.133 0.000 1.097 171 F CA 1.129 59.084 58.000 -0.076 0.000 1.264 171 F CB -0.261 38.719 39.000 -0.033 0.000 1.001 171 F HN 0.044 nan 8.300 nan 0.000 0.479 172 L N -0.068 120.998 121.223 -0.262 0.000 2.131 172 L HA -0.213 4.134 4.340 0.011 0.000 0.210 172 L C 2.288 178.997 176.870 -0.268 0.000 1.092 172 L CA 1.507 56.146 54.840 -0.336 0.000 0.759 172 L CB -0.594 41.284 42.059 -0.302 0.000 0.903 172 L HN 0.118 nan 8.230 nan 0.000 0.435 173 K N -0.539 119.745 120.400 -0.192 0.000 2.166 173 K HA 0.084 4.411 4.320 0.011 0.000 0.201 173 K C 0.201 176.713 176.600 -0.146 0.000 1.052 173 K CA 0.528 56.731 56.287 -0.140 0.000 0.969 173 K CB 0.316 32.764 32.500 -0.087 0.000 0.761 173 K HN 0.221 nan 8.250 nan 0.000 0.459 174 N N 0.920 119.529 118.700 -0.153 0.000 2.727 174 N HA 0.147 4.894 4.740 0.011 0.000 0.252 174 N C -2.595 172.823 175.510 -0.153 0.000 1.283 174 N CA -1.015 51.959 53.050 -0.126 0.000 0.782 174 N CB 1.666 40.118 38.487 -0.058 0.000 1.199 174 N HN -0.145 nan 8.380 nan 0.000 0.520 175 P HA -0.057 nan 4.420 nan 0.000 0.220 175 P C 1.447 178.748 177.300 0.001 0.000 1.144 175 P CA 1.031 63.886 63.100 -0.410 0.000 0.800 175 P CB 0.343 31.711 31.700 -0.553 0.000 0.772 176 M N -1.544 118.042 119.600 -0.022 0.000 2.388 176 M HA -0.028 4.459 4.480 0.011 0.000 0.265 176 M C 1.167 177.499 176.300 0.053 0.000 1.088 176 M CA 1.192 56.503 55.300 0.019 0.000 1.134 176 M CB -1.350 31.233 32.600 -0.029 0.000 1.384 176 M HN -0.084 nan 8.290 nan 0.000 0.447 177 D N 1.028 121.459 120.400 0.052 0.000 2.158 177 D HA -0.171 4.476 4.640 0.011 0.000 0.197 177 D C 1.829 178.175 176.300 0.077 0.000 0.995 177 D CA 1.001 55.034 54.000 0.055 0.000 0.846 177 D CB -0.287 40.543 40.800 0.050 0.000 0.941 177 D HN 0.266 nan 8.370 nan 0.000 0.456 178 I N 0.418 121.073 120.570 0.141 0.000 2.454 178 I HA -0.169 4.007 4.170 0.011 0.000 0.254 178 I C 1.899 178.042 176.117 0.044 0.000 1.156 178 I CA 0.846 62.222 61.300 0.126 0.000 1.433 178 I CB -0.081 38.048 38.000 0.215 0.000 1.082 178 I HN -0.003 nan 8.210 nan 0.000 0.432 179 L N 0.085 121.332 121.223 0.040 0.000 2.093 179 L HA -0.188 4.158 4.340 0.011 0.000 0.208 179 L C 2.200 179.038 176.870 -0.054 0.000 1.085 179 L CA 1.027 55.841 54.840 -0.043 0.000 0.755 179 L CB -0.900 41.165 42.059 0.010 0.000 0.904 179 L HN 0.303 nan 8.230 nan 0.000 0.435 180 N N 0.235 118.925 118.700 -0.015 0.000 2.188 180 N HA -0.113 4.634 4.740 0.011 0.000 0.184 180 N C 1.952 177.449 175.510 -0.021 0.000 1.018 180 N CA 1.188 54.230 53.050 -0.014 0.000 0.858 180 N CB -0.115 38.371 38.487 -0.001 0.000 0.989 180 N HN 0.344 nan 8.380 nan 0.000 0.426 181 L N 0.434 121.646 121.223 -0.017 0.000 2.109 181 L HA -0.060 4.287 4.340 0.011 0.000 0.207 181 L C 2.288 179.134 176.870 -0.040 0.000 1.086 181 L CA 0.595 55.425 54.840 -0.016 0.000 0.760 181 L CB -0.441 41.621 42.059 0.004 0.000 0.910 181 L HN -0.067 nan 8.230 nan 0.000 0.437 182 V N -0.010 119.850 119.914 -0.090 0.000 2.295 182 V HA -0.288 3.839 4.120 0.011 0.000 0.246 182 V C 2.685 178.726 176.094 -0.089 0.000 1.049 182 V CA 1.818 64.032 62.300 -0.142 0.000 1.024 182 V CB -0.643 30.942 31.823 -0.397 0.000 0.648 182 V HN 0.433 nan 8.190 nan 0.000 0.447 183 R N 0.167 120.617 120.500 -0.083 0.000 2.091 183 R HA -0.205 4.142 4.340 0.011 0.000 0.238 183 R C 1.971 178.258 176.300 -0.021 0.000 1.136 183 R CA 2.120 58.194 56.100 -0.043 0.000 0.959 183 R CB -0.346 29.933 30.300 -0.035 0.000 0.856 183 R HN 0.528 nan 8.270 nan 0.000 0.437 184 D N -0.256 120.132 120.400 -0.020 0.000 2.312 184 D HA -0.079 4.568 4.640 0.011 0.000 0.211 184 D C 0.552 176.847 176.300 -0.009 0.000 0.964 184 D CA 0.838 54.832 54.000 -0.011 0.000 0.877 184 D CB -0.023 40.772 40.800 -0.008 0.000 0.924 184 D HN 0.307 nan 8.370 nan 0.000 0.515 185 N N 0.158 118.852 118.700 -0.011 0.000 2.200 185 N HA 0.095 4.842 4.740 0.011 0.000 0.224 185 N C 0.351 175.862 175.510 0.002 0.000 1.179 185 N CA -0.019 53.027 53.050 -0.006 0.000 0.877 185 N CB 1.074 39.559 38.487 -0.005 0.000 1.072 185 N HN 0.335 nan 8.380 nan 0.000 0.519 186 M N -0.888 118.719 119.600 0.012 0.000 2.598 186 M HA 0.524 5.010 4.480 0.011 0.000 0.317 186 M C -0.504 175.824 176.300 0.047 0.000 1.201 186 M CA -0.591 54.736 55.300 0.047 0.000 0.971 186 M CB 1.441 34.086 32.600 0.076 0.000 1.657 186 M HN -0.266 nan 8.290 nan 0.000 0.470 187 I N 3.366 123.985 120.570 0.082 0.000 2.436 187 I HA 0.248 4.425 4.170 0.011 0.000 0.289 187 I C -0.615 175.587 176.117 0.142 0.000 1.083 187 I CA -0.001 61.338 61.300 0.064 0.000 1.372 187 I CB 0.045 38.058 38.000 0.021 0.000 1.408 187 I HN 0.605 nan 8.210 nan 0.000 0.516 188 L N 4.419 125.696 121.223 0.090 0.000 2.341 188 L HA 0.632 4.979 4.340 0.011 0.000 0.254 188 L C 0.983 177.902 176.870 0.081 0.000 1.040 188 L CA -0.760 54.135 54.840 0.091 0.000 0.837 188 L CB 1.818 43.907 42.059 0.050 0.000 1.425 188 L HN 0.737 nan 8.230 nan 0.000 0.414 189 G N 0.581 109.425 108.800 0.074 0.000 2.148 189 G HA2 -0.192 3.775 3.960 0.011 0.000 0.254 189 G HA3 -0.192 3.775 3.960 0.011 0.000 0.254 189 G C -0.221 174.727 174.900 0.080 0.000 0.981 189 G CA 0.297 45.434 45.100 0.063 0.000 0.670 189 G HN 0.719 nan 8.290 nan 0.000 0.528 190 V N -3.594 116.393 119.914 0.122 0.000 3.113 190 V HA 0.858 4.984 4.120 0.011 0.000 0.316 190 V C 0.551 176.745 176.094 0.167 0.000 1.125 190 V CA -1.507 60.877 62.300 0.140 0.000 1.026 190 V CB 1.717 33.643 31.823 0.171 0.000 1.080 190 V HN 0.397 nan 8.190 nan 0.000 0.444 191 R N 0.740 121.329 120.500 0.149 0.000 2.390 191 R HA 0.686 5.032 4.340 0.011 0.000 0.291 191 R C -0.617 175.787 176.300 0.173 0.000 1.070 191 R CA 0.005 56.182 56.100 0.129 0.000 1.014 191 R CB 1.327 31.679 30.300 0.086 0.000 1.007 191 R HN 1.061 nan 8.270 nan 0.000 0.466 192 V N 0.179 120.149 119.914 0.094 0.000 3.078 192 V HA 0.595 4.722 4.120 0.011 0.000 0.311 192 V C -1.233 174.820 176.094 -0.067 0.000 1.138 192 V CA -1.089 61.213 62.300 0.002 0.000 1.007 192 V CB 1.985 33.750 31.823 -0.097 0.000 1.045 192 V HN 0.768 nan 8.190 nan 0.000 0.432 193 K N 2.649 122.971 120.400 -0.129 0.000 2.323 193 K HA 0.644 4.971 4.320 0.011 0.000 0.259 193 K C -1.432 175.005 176.600 -0.272 0.000 0.947 193 K CA -0.823 55.359 56.287 -0.175 0.000 0.819 193 K CB 1.619 34.057 32.500 -0.103 0.000 1.109 193 K HN 0.728 nan 8.250 nan 0.000 0.429 194 I N 6.235 126.511 120.570 -0.491 0.000 2.312 194 I HA 0.248 4.424 4.170 0.011 0.000 0.290 194 I C -0.282 175.619 176.117 -0.360 0.000 1.008 194 I CA -0.677 60.315 61.300 -0.512 0.000 1.226 194 I CB 0.999 38.416 38.000 -0.971 0.000 1.371 194 I HN 0.575 nan 8.210 nan 0.000 0.468 195 L N 6.424 127.547 121.223 -0.167 0.000 2.265 195 L HA 0.693 5.039 4.340 0.011 0.000 0.289 195 L C 0.695 177.548 176.870 -0.029 0.000 1.033 195 L CA -0.059 54.731 54.840 -0.083 0.000 0.814 195 L CB 1.444 43.474 42.059 -0.049 0.000 1.203 195 L HN 0.812 nan 8.230 nan 0.000 0.423 196 G N 1.315 110.113 108.800 -0.003 0.000 3.255 196 G HA2 0.006 3.973 3.960 0.011 0.000 0.161 196 G HA3 0.006 3.973 3.960 0.011 0.000 0.161 196 G C 0.211 175.135 174.900 0.041 0.000 1.173 196 G CA 0.223 45.343 45.100 0.034 0.000 1.106 196 G HN 0.491 nan 8.290 nan 0.000 0.650 197 D N -0.313 120.121 120.400 0.058 0.000 2.149 197 D HA 0.114 4.761 4.640 0.011 0.000 0.194 197 D C 1.524 177.855 176.300 0.051 0.000 1.001 197 D CA 2.852 56.882 54.000 0.051 0.000 0.849 197 D CB -0.273 40.562 40.800 0.059 0.000 0.939 197 D HN 0.538 nan 8.370 nan 0.000 0.449 198 G N -1.949 106.893 108.800 0.070 0.000 3.190 198 G HA2 0.493 4.459 3.960 0.011 0.000 0.191 198 G HA3 0.493 4.459 3.960 0.011 0.000 0.191 198 G C -0.817 174.115 174.900 0.054 0.000 1.523 198 G CA 0.306 45.444 45.100 0.064 0.000 0.842 198 G HN 0.699 nan 8.290 nan 0.000 0.782 199 S N -1.275 114.479 115.700 0.090 0.000 2.678 199 S HA 0.609 5.086 4.470 0.011 0.000 0.290 199 S C -1.361 173.320 174.600 0.134 0.000 1.047 199 S CA -0.515 57.697 58.200 0.020 0.000 0.851 199 S CB 0.734 63.920 63.200 -0.022 0.000 1.058 199 S HN 1.926 nan 8.310 nan 0.000 0.451 200 F N -0.590 119.365 119.950 0.009 0.000 2.668 200 F HA 0.907 5.442 4.527 0.012 0.000 0.309 200 F C -0.963 174.839 175.800 0.003 0.000 1.117 200 F CA -0.894 57.109 58.000 0.005 0.000 0.951 200 F CB 0.991 39.992 39.000 0.002 0.000 1.323 200 F HN 0.706 nan 8.300 nan 0.000 0.451 201 E N 0.314 120.654 120.200 0.233 0.000 2.263 201 E HA 0.793 5.150 4.350 0.011 0.000 0.264 201 E C -0.482 176.241 176.600 0.205 0.000 0.923 201 E CA -1.265 55.209 56.400 0.125 0.000 0.802 201 E CB 2.459 32.201 29.700 0.070 0.000 1.228 201 E HN 1.122 nan 8.360 nan 0.000 0.417 202 G N 0.802 109.684 108.800 0.137 0.000 2.320 202 G HA2 0.242 4.208 3.960 0.011 0.000 0.296 202 G HA3 0.242 4.208 3.960 0.011 0.000 0.296 202 G C -1.596 173.358 174.900 0.091 0.000 1.306 202 G CA -0.862 44.313 45.100 0.125 0.000 0.836 202 G HN 0.282 nan 8.290 nan 0.000 0.517 203 I N 1.528 122.143 120.570 0.075 0.000 2.371 203 I HA 0.477 4.654 4.170 0.011 0.000 0.290 203 I C 1.092 177.243 176.117 0.056 0.000 1.028 203 I CA -0.587 60.754 61.300 0.067 0.000 1.345 203 I CB 0.965 38.996 38.000 0.052 0.000 1.407 203 I HN 0.704 nan 8.210 nan 0.000 0.501 204 A N 6.946 129.805 122.820 0.066 0.000 2.457 204 A HA 0.205 4.531 4.320 0.011 0.000 0.298 204 A C 1.136 178.735 177.584 0.025 0.000 1.288 204 A CA -0.272 51.784 52.037 0.031 0.000 0.956 204 A CB -0.096 18.946 19.000 0.069 0.000 1.135 204 A HN 0.720 nan 8.150 nan 0.000 0.535 205 E N 1.071 121.270 120.200 -0.001 0.000 2.086 205 E HA 0.040 4.397 4.350 0.011 0.000 0.190 205 E C 0.103 176.697 176.600 -0.009 0.000 0.975 205 E CA 1.090 57.491 56.400 0.001 0.000 0.813 205 E CB 0.189 29.887 29.700 -0.002 0.000 0.768 205 E HN 0.872 nan 8.360 nan 0.000 0.457 206 D N -1.522 118.857 120.400 -0.036 0.000 2.871 206 D HA 0.150 4.797 4.640 0.011 0.000 0.330 206 D C -1.540 174.716 176.300 -0.073 0.000 1.364 206 D CA -0.566 53.412 54.000 -0.037 0.000 0.759 206 D CB 0.391 41.182 40.800 -0.015 0.000 1.325 206 D HN -0.038 nan 8.370 nan 0.000 0.452 207 I N -0.686 119.855 120.570 -0.047 0.000 2.493 207 I HA 0.699 4.876 4.170 0.011 0.000 0.298 207 I C -0.220 175.916 176.117 0.033 0.000 0.998 207 I CA -0.845 60.438 61.300 -0.028 0.000 1.137 207 I CB 1.671 39.675 38.000 0.006 0.000 1.310 207 I HN 0.314 nan 8.210 nan 0.000 0.445 208 D N 3.182 123.635 120.400 0.087 0.000 2.478 208 D HA 0.053 4.700 4.640 0.011 0.000 0.274 208 D C 0.653 177.049 176.300 0.161 0.000 1.234 208 D CA -0.334 53.739 54.000 0.121 0.000 1.069 208 D CB 0.287 41.175 40.800 0.146 0.000 1.113 208 D HN 0.723 nan 8.370 nan 0.000 0.571 209 D N -1.218 119.285 120.400 0.171 0.000 2.392 209 D HA -0.147 4.500 4.640 0.011 0.000 0.228 209 D C 0.794 177.105 176.300 0.019 0.000 1.003 209 D CA 0.421 54.473 54.000 0.088 0.000 0.917 209 D CB -0.448 40.381 40.800 0.048 0.000 0.890 209 D HN 0.304 nan 8.370 nan 0.000 0.532 210 F N -0.253 119.782 119.950 0.142 0.000 2.682 210 F HA 0.353 4.886 4.527 0.011 0.000 0.308 210 F C 1.957 177.939 175.800 0.303 0.000 1.093 210 F CA 0.236 58.350 58.000 0.189 0.000 1.244 210 F CB 1.047 40.139 39.000 0.152 0.000 1.052 210 F HN 0.154 nan 8.300 nan 0.000 0.573 211 G N 1.029 110.102 108.800 0.454 0.000 2.157 211 G HA2 -0.285 3.682 3.960 0.011 0.000 0.248 211 G HA3 -0.285 3.682 3.960 0.011 0.000 0.248 211 G C 0.423 175.748 174.900 0.708 0.000 0.979 211 G CA -0.490 44.971 45.100 0.602 0.000 0.650 211 G HN 0.282 nan 8.290 nan 0.000 0.529 212 R N -0.421 120.365 120.500 0.476 0.000 2.438 212 R HA 0.477 4.824 4.340 0.011 0.000 0.287 212 R C 0.269 176.570 176.300 0.001 0.000 1.077 212 R CA -0.676 55.629 56.100 0.343 0.000 1.034 212 R CB 0.914 31.344 30.300 0.216 0.000 0.993 212 R HN 0.208 nan 8.270 nan 0.000 0.459 213 L N 4.463 125.404 121.223 -0.470 0.000 2.360 213 L HA 0.193 4.540 4.340 0.011 0.000 0.276 213 L C -0.568 176.103 176.870 -0.332 0.000 1.121 213 L CA 0.198 54.575 54.840 -0.773 0.000 0.845 213 L CB 0.613 41.724 42.059 -1.580 0.000 1.143 213 L HN 0.436 nan 8.230 nan 0.000 0.452 214 I N 6.876 127.326 120.570 -0.201 0.000 2.304 214 I HA 0.284 4.461 4.170 0.011 0.000 0.291 214 I C -0.148 175.930 176.117 -0.064 0.000 1.018 214 I CA -0.349 60.897 61.300 -0.091 0.000 1.260 214 I CB 0.859 38.830 38.000 -0.048 0.000 1.390 214 I HN 0.393 nan 8.210 nan 0.000 0.475 215 I N 6.427 126.987 120.570 -0.016 0.000 2.433 215 I HA 0.378 4.555 4.170 0.011 0.000 0.292 215 I C 0.367 176.502 176.117 0.030 0.000 1.001 215 I CA -0.711 60.614 61.300 0.042 0.000 1.119 215 I CB 1.803 39.914 38.000 0.185 0.000 1.289 215 I HN 0.521 nan 8.210 nan 0.000 0.438 216 R N 5.824 126.343 120.500 0.033 0.000 2.215 216 R HA 0.516 4.863 4.340 0.011 0.000 0.336 216 R C -1.173 175.147 176.300 0.034 0.000 0.996 216 R CA -0.691 55.419 56.100 0.017 0.000 0.847 216 R CB 0.831 31.139 30.300 0.013 0.000 1.127 216 R HN 0.362 nan 8.270 nan 0.000 0.465 217 L N 3.261 124.492 121.223 0.014 0.000 2.453 217 L HA 0.081 4.428 4.340 0.011 0.000 0.261 217 L C 1.366 178.248 176.870 0.020 0.000 1.179 217 L CA 0.344 55.202 54.840 0.029 0.000 0.813 217 L CB 0.827 42.879 42.059 -0.011 0.000 1.110 217 L HN 0.660 nan 8.230 nan 0.000 0.466 218 D N -0.221 120.196 120.400 0.029 0.000 2.190 218 D HA -0.179 4.468 4.640 0.011 0.000 0.200 218 D C 1.922 178.227 176.300 0.009 0.000 0.992 218 D CA 1.728 55.740 54.000 0.021 0.000 0.854 218 D CB 0.051 40.866 40.800 0.025 0.000 0.936 218 D HN 0.696 nan 8.370 nan 0.000 0.462 219 S N -0.982 114.720 115.700 0.002 0.000 2.515 219 S HA 0.130 4.607 4.470 0.011 0.000 0.231 219 S C 1.784 176.378 174.600 -0.010 0.000 0.987 219 S CA 1.147 59.344 58.200 -0.006 0.000 0.936 219 S CB 0.295 63.487 63.200 -0.013 0.000 0.766 219 S HN 0.366 nan 8.310 nan 0.000 0.528 220 G N 0.735 109.529 108.800 -0.010 0.000 2.213 220 G HA2 -0.266 3.701 3.960 0.011 0.000 0.226 220 G HA3 -0.266 3.701 3.960 0.011 0.000 0.226 220 G C -0.150 174.735 174.900 -0.025 0.000 0.992 220 G CA 0.109 45.201 45.100 -0.013 0.000 0.632 220 G HN 0.714 nan 8.290 nan 0.000 0.511 221 E N 0.929 121.106 120.200 -0.038 0.000 2.415 221 E HA 0.371 4.727 4.350 0.011 0.000 0.263 221 E C -0.054 176.502 176.600 -0.073 0.000 0.995 221 E CA -0.162 56.202 56.400 -0.061 0.000 0.915 221 E CB 0.693 30.343 29.700 -0.083 0.000 0.951 221 E HN 0.159 nan 8.360 nan 0.000 0.449 222 V N 5.645 125.517 119.914 -0.070 0.000 2.407 222 V HA 0.278 4.405 4.120 0.011 0.000 0.278 222 V C 0.043 176.075 176.094 -0.103 0.000 1.037 222 V CA -0.373 61.886 62.300 -0.068 0.000 0.900 222 V CB 1.414 33.212 31.823 -0.042 0.000 0.983 222 V HN 0.626 nan 8.190 nan 0.000 0.459 223 K N 3.921 124.249 120.400 -0.121 0.000 2.259 223 K HA 0.609 4.936 4.320 0.011 0.000 0.252 223 K C -0.928 175.639 176.600 -0.055 0.000 0.936 223 K CA -0.885 55.313 56.287 -0.149 0.000 0.810 223 K CB 2.359 34.638 32.500 -0.368 0.000 1.143 223 K HN 0.534 nan 8.250 nan 0.000 0.427 224 K N 2.004 122.384 120.400 -0.033 0.000 2.307 224 K HA 0.338 4.665 4.320 0.011 0.000 0.263 224 K C -0.826 175.800 176.600 0.042 0.000 0.973 224 K CA -0.750 55.534 56.287 -0.005 0.000 0.846 224 K CB 1.777 34.275 32.500 -0.004 0.000 1.100 224 K HN 0.187 nan 8.250 nan 0.000 0.438 225 V N 4.570 124.504 119.914 0.033 0.000 2.427 225 V HA 0.317 4.443 4.120 0.011 0.000 0.286 225 V C 0.150 176.423 176.094 0.298 0.000 1.034 225 V CA -0.866 61.512 62.300 0.130 0.000 0.893 225 V CB 1.179 33.033 31.823 0.052 0.000 0.982 225 V HN 0.644 nan 8.190 nan 0.000 0.452 226 I N 5.146 125.920 120.570 0.340 0.000 2.336 226 I HA 0.308 4.485 4.170 0.011 0.000 0.292 226 I C -0.074 176.294 176.117 0.418 0.000 0.991 226 I CA -0.569 60.947 61.300 0.359 0.000 1.227 226 I CB 1.458 39.536 38.000 0.130 0.000 1.366 226 I HN 0.782 nan 8.210 nan 0.000 0.466 227 Y N 3.469 123.961 120.300 0.320 0.000 2.336 227 Y HA 0.648 5.206 4.550 0.013 0.000 0.331 227 Y C 0.513 176.402 175.900 -0.017 0.000 1.211 227 Y CA -1.016 57.089 58.100 0.009 0.000 1.346 227 Y CB 0.865 39.012 38.460 -0.521 0.000 1.271 227 Y HN 0.753 nan 8.280 nan 0.000 0.538 228 G N 3.263 112.085 108.800 0.035 0.000 2.299 228 G HA2 0.183 4.150 3.960 0.011 0.000 0.219 228 G HA3 0.183 4.150 3.960 0.011 0.000 0.219 228 G C -0.675 174.231 174.900 0.010 0.000 2.786 228 G CA -0.353 44.719 45.100 -0.047 0.000 1.025 228 G HN 1.029 nan 8.290 nan 0.000 0.582 229 D N -1.644 118.776 120.400 0.033 0.000 3.124 229 D HA -0.171 4.476 4.640 0.011 0.000 0.212 229 D C 0.356 176.684 176.300 0.048 0.000 1.092 229 D CA 1.685 55.703 54.000 0.030 0.000 0.939 229 D CB -1.281 39.528 40.800 0.016 0.000 1.088 229 D HN 1.619 nan 8.370 nan 0.000 0.432 230 V N -2.022 117.936 119.914 0.075 0.000 2.656 230 V HA 0.882 5.009 4.120 0.011 0.000 0.307 230 V C 0.217 176.358 176.094 0.079 0.000 1.051 230 V CA -0.577 61.776 62.300 0.088 0.000 0.893 230 V CB 2.284 34.201 31.823 0.157 0.000 0.999 230 V HN 0.036 nan 8.190 nan 0.000 0.426 231 S N 4.533 120.257 115.700 0.041 0.000 2.503 231 S HA 0.740 5.217 4.470 0.011 0.000 0.301 231 S C -0.609 173.989 174.600 -0.003 0.000 1.087 231 S CA -0.571 57.644 58.200 0.024 0.000 1.042 231 S CB 1.665 64.870 63.200 0.009 0.000 1.043 231 S HN 0.989 nan 8.310 nan 0.000 0.489 232 L N 3.463 124.681 121.223 -0.009 0.000 2.295 232 L HA 0.648 4.994 4.340 0.011 0.000 0.285 232 L C -0.842 175.917 176.870 -0.185 0.000 1.035 232 L CA -0.539 54.241 54.840 -0.099 0.000 0.806 232 L CB 0.538 42.561 42.059 -0.060 0.000 1.214 232 L HN 0.466 nan 8.230 nan 0.000 0.426 233 R N 4.565 124.935 120.500 -0.217 0.000 2.534 233 R HA 0.415 4.761 4.340 0.011 0.000 0.301 233 R C -1.295 174.895 176.300 -0.184 0.000 0.961 233 R CA -0.582 55.426 56.100 -0.154 0.000 0.871 233 R CB 1.669 31.933 30.300 -0.059 0.000 1.170 233 R HN 0.424 nan 8.270 nan 0.000 0.446 234 F N 2.261 122.254 119.950 0.071 0.000 2.375 234 F HA 0.378 4.913 4.527 0.014 0.000 0.333 234 F C 1.099 176.899 175.800 -0.000 0.000 1.104 234 F CA -0.282 57.754 58.000 0.060 0.000 1.149 234 F CB 0.623 39.695 39.000 0.120 0.000 1.190 234 F HN 0.170 nan 8.300 nan 0.000 0.533 235 L N 0.000 121.337 121.223 0.191 0.000 2.949 235 L HA 0.000 4.347 4.340 0.011 0.000 0.249 235 L CA 0.000 54.886 54.840 0.077 0.000 0.813 235 L CB 0.000 42.094 42.059 0.058 0.000 0.961 235 L HN 0.000 nan 8.230 nan 0.000 0.502