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 2zgw_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 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.023 0.000 1.302 2 L N 1.529 122.754 121.223 0.003 0.000 2.341 2 L HA 0.434 4.782 4.340 0.013 0.000 0.214 2 L C 1.436 178.329 176.870 0.038 0.000 1.115 2 L CA 1.028 55.880 54.840 0.019 0.000 0.820 2 L CB -0.438 41.645 42.059 0.041 0.000 0.944 2 L HN 0.860 nan 8.230 nan 0.000 0.452 3 G N 1.441 110.261 108.800 0.034 0.000 2.273 3 G HA2 -0.280 3.688 3.960 0.013 0.000 0.280 3 G HA3 -0.280 3.688 3.960 0.013 0.000 0.280 3 G C 0.172 175.098 174.900 0.044 0.000 1.047 3 G CA -0.097 45.023 45.100 0.033 0.000 0.869 3 G HN 0.231 nan 8.290 nan 0.000 0.502 4 L N -0.682 120.576 121.223 0.059 0.000 2.456 4 L HA 0.303 4.650 4.340 0.013 0.000 0.272 4 L C 1.171 178.067 176.870 0.042 0.000 1.189 4 L CA -0.126 54.750 54.840 0.061 0.000 0.846 4 L CB 0.617 42.726 42.059 0.083 0.000 1.111 4 L HN -0.048 nan 8.230 nan 0.000 0.475 5 K N 1.128 121.548 120.400 0.033 0.000 2.537 5 K HA 0.156 4.484 4.320 0.013 0.000 0.206 5 K C 0.324 176.940 176.600 0.026 0.000 1.041 5 K CA -0.082 56.222 56.287 0.027 0.000 1.090 5 K CB 0.330 32.843 32.500 0.021 0.000 0.833 5 K HN 0.738 nan 8.250 nan 0.000 0.493 6 T N -2.107 112.464 114.554 0.028 0.000 2.813 6 T HA 0.182 4.540 4.350 0.013 0.000 0.297 6 T C 1.399 176.123 174.700 0.041 0.000 1.036 6 T CA -0.254 61.864 62.100 0.030 0.000 1.044 6 T CB 1.384 70.266 68.868 0.022 0.000 0.993 6 T HN -0.102 nan 8.240 nan 0.000 0.535 7 S N 0.383 116.113 115.700 0.050 0.000 2.371 7 S HA 0.169 4.646 4.470 0.013 0.000 0.221 7 S C 1.589 176.233 174.600 0.073 0.000 1.036 7 S CA 0.390 58.624 58.200 0.057 0.000 0.965 7 S CB -0.324 62.911 63.200 0.059 0.000 0.845 7 S HN 0.708 nan 8.310 nan 0.000 0.475 8 I N -0.202 120.426 120.570 0.095 0.000 3.650 8 I HA 0.263 4.441 4.170 0.013 0.000 0.261 8 I C -0.270 175.890 176.117 0.072 0.000 1.154 8 I CA 0.011 61.377 61.300 0.110 0.000 1.418 8 I CB 0.218 38.338 38.000 0.201 0.000 1.539 8 I HN 0.024 nan 8.210 nan 0.000 0.449 9 I N 2.772 123.375 120.570 0.055 0.000 2.578 9 I HA 0.133 4.311 4.170 0.013 0.000 0.286 9 I C 1.001 177.123 176.117 0.008 0.000 1.126 9 I CA 0.792 62.090 61.300 -0.004 0.000 1.380 9 I CB 0.120 38.090 38.000 -0.049 0.000 1.408 9 I HN 0.587 nan 8.210 nan 0.000 0.532 10 G N 5.159 113.978 108.800 0.033 0.000 2.168 10 G HA2 -0.219 3.749 3.960 0.013 0.000 0.197 10 G HA3 -0.219 3.749 3.960 0.013 0.000 0.197 10 G C 1.100 176.047 174.900 0.079 0.000 0.997 10 G CA -0.263 44.877 45.100 0.067 0.000 0.658 10 G HN 0.624 nan 8.290 nan 0.000 0.513 11 R N -0.321 120.219 120.500 0.067 0.000 2.091 11 R HA -0.002 4.346 4.340 0.013 0.000 0.238 11 R C 1.227 177.570 176.300 0.072 0.000 1.136 11 R CA 1.343 57.482 56.100 0.065 0.000 0.959 11 R CB -0.021 30.316 30.300 0.062 0.000 0.856 11 R HN 0.407 nan 8.270 nan 0.000 0.437 12 R N -0.385 120.165 120.500 0.083 0.000 2.795 12 R HA 0.491 4.838 4.340 0.013 0.000 0.275 12 R C -1.430 174.941 176.300 0.119 0.000 0.981 12 R CA -0.720 55.435 56.100 0.091 0.000 0.917 12 R CB 2.902 33.255 30.300 0.088 0.000 1.202 12 R HN -0.164 nan 8.270 nan 0.000 0.469 13 V N 3.479 123.465 119.914 0.120 0.000 2.623 13 V HA 0.451 4.579 4.120 0.013 0.000 0.304 13 V C -0.554 175.608 176.094 0.113 0.000 1.054 13 V CA -0.655 61.735 62.300 0.151 0.000 0.882 13 V CB 2.128 34.056 31.823 0.175 0.000 1.002 13 V HN 0.603 nan 8.190 nan 0.000 0.424 14 I N 5.214 125.867 120.570 0.138 0.000 2.354 14 I HA 0.393 4.571 4.170 0.013 0.000 0.286 14 I C -0.942 175.236 176.117 0.101 0.000 1.007 14 I CA -0.660 60.678 61.300 0.063 0.000 1.167 14 I CB 1.174 39.230 38.000 0.094 0.000 1.320 14 I HN 0.689 nan 8.210 nan 0.000 0.458 15 Y N 7.887 128.105 120.300 -0.135 0.000 2.342 15 Y HA 0.630 5.187 4.550 0.012 0.000 0.334 15 Y C -1.570 174.207 175.900 -0.206 0.000 1.067 15 Y CA -0.723 57.332 58.100 -0.074 0.000 1.128 15 Y CB 0.960 39.345 38.460 -0.125 0.000 1.200 15 Y HN 0.298 nan 8.280 nan 0.000 0.464 16 F N 4.045 123.381 119.950 -1.022 0.000 2.540 16 F HA 0.359 4.893 4.527 0.012 0.000 0.317 16 F C 0.948 176.141 175.800 -1.011 0.000 1.104 16 F CA -0.805 56.670 58.000 -0.874 0.000 0.913 16 F CB 2.305 41.020 39.000 -0.474 0.000 1.170 16 F HN 0.584 nan 8.300 nan 0.000 0.450 17 Q N 0.647 120.145 119.800 -0.504 0.000 2.119 17 Q HA -0.083 4.265 4.340 0.013 0.000 0.201 17 Q C 0.118 176.077 176.000 -0.068 0.000 0.972 17 Q CA 1.337 57.019 55.803 -0.202 0.000 0.847 17 Q CB 0.463 29.168 28.738 -0.056 0.000 0.903 17 Q HN 0.682 nan 8.270 nan 0.000 0.433 18 E N -0.505 119.672 120.200 -0.038 0.000 2.372 18 E HA 0.570 4.928 4.350 0.013 0.000 0.279 18 E C -1.861 174.706 176.600 -0.054 0.000 0.946 18 E CA -0.374 56.011 56.400 -0.026 0.000 0.769 18 E CB 1.857 31.548 29.700 -0.015 0.000 1.230 18 E HN 0.062 nan 8.360 nan 0.000 0.442 19 I N 1.663 122.149 120.570 -0.140 0.000 3.093 19 I HA 0.226 4.403 4.170 0.013 0.000 0.308 19 I C 1.087 177.093 176.117 -0.185 0.000 1.303 19 I CA -0.307 60.836 61.300 -0.262 0.000 0.975 19 I CB 2.257 39.880 38.000 -0.628 0.000 1.286 19 I HN 0.839 nan 8.210 nan 0.000 0.459 20 T N 0.695 115.157 114.554 -0.153 0.000 2.668 20 T HA 0.024 4.382 4.350 0.013 0.000 0.262 20 T C 0.654 175.260 174.700 -0.155 0.000 1.045 20 T CA 0.952 62.985 62.100 -0.111 0.000 1.152 20 T CB -0.179 68.665 68.868 -0.041 0.000 0.864 20 T HN 0.522 nan 8.240 nan 0.000 0.419 21 S N 0.118 115.740 115.700 -0.130 0.000 2.584 21 S HA 0.416 4.894 4.470 0.013 0.000 0.280 21 S C 0.811 175.362 174.600 -0.083 0.000 1.162 21 S CA 0.013 58.144 58.200 -0.116 0.000 0.951 21 S CB 1.432 64.616 63.200 -0.028 0.000 1.108 21 S HN 0.530 nan 8.310 nan 0.000 0.464 22 T N 2.768 117.266 114.554 -0.095 0.000 2.867 22 T HA -0.070 4.287 4.350 0.013 0.000 0.268 22 T C 1.417 176.136 174.700 0.031 0.000 1.057 22 T CA 1.575 63.634 62.100 -0.068 0.000 1.136 22 T CB -0.582 68.270 68.868 -0.027 0.000 0.874 22 T HN 0.524 nan 8.240 nan 0.000 0.466 23 N N 1.207 119.922 118.700 0.025 0.000 2.142 23 N HA -0.038 4.710 4.740 0.013 0.000 0.186 23 N C 2.058 177.588 175.510 0.035 0.000 1.023 23 N CA 1.076 54.142 53.050 0.027 0.000 0.852 23 N CB -0.207 38.290 38.487 0.018 0.000 0.998 23 N HN 0.409 nan 8.380 nan 0.000 0.424 24 E N -0.172 120.064 120.200 0.061 0.000 2.072 24 E HA -0.140 4.218 4.350 0.013 0.000 0.191 24 E C 1.761 178.374 176.600 0.022 0.000 0.985 24 E CA 0.526 56.947 56.400 0.035 0.000 0.801 24 E CB -0.506 29.239 29.700 0.075 0.000 0.750 24 E HN 0.393 nan 8.360 nan 0.000 0.452 25 F N 1.568 121.466 119.950 -0.087 0.000 2.134 25 F HA -0.170 4.365 4.527 0.013 0.000 0.299 25 F C 2.249 178.018 175.800 -0.052 0.000 1.097 25 F CA 1.545 59.492 58.000 -0.088 0.000 1.264 25 F CB -0.175 38.723 39.000 -0.170 0.000 1.001 25 F HN -0.006 nan 8.300 nan 0.000 0.479 26 A N 0.115 123.009 122.820 0.123 0.000 1.930 26 A HA -0.172 4.155 4.320 0.013 0.000 0.217 26 A C 2.237 179.778 177.584 -0.072 0.000 1.175 26 A CA 1.701 53.769 52.037 0.051 0.000 0.627 26 A CB -0.595 18.455 19.000 0.083 0.000 0.815 26 A HN 0.437 nan 8.150 nan 0.000 0.443 27 K N -0.967 119.386 120.400 -0.079 0.000 2.057 27 K HA -0.072 4.255 4.320 0.013 0.000 0.206 27 K C 2.063 178.557 176.600 -0.176 0.000 1.050 27 K CA 1.730 57.955 56.287 -0.105 0.000 0.935 27 K CB -0.314 32.135 32.500 -0.085 0.000 0.715 27 K HN 0.458 nan 8.250 nan 0.000 0.439 28 T N 0.969 115.388 114.554 -0.226 0.000 2.851 28 T HA -0.013 4.345 4.350 0.013 0.000 0.262 28 T C 1.029 175.461 174.700 -0.446 0.000 1.043 28 T CA 0.558 62.478 62.100 -0.300 0.000 1.140 28 T CB 0.063 68.773 68.868 -0.263 0.000 0.872 28 T HN 0.075 nan 8.240 nan 0.000 0.446 29 S N 0.595 115.981 115.700 -0.523 0.000 2.603 29 S HA 0.313 4.790 4.470 0.013 0.000 0.268 29 S C -0.764 173.610 174.600 -0.377 0.000 1.317 29 S CA -0.561 57.318 58.200 -0.535 0.000 1.012 29 S CB 0.155 62.899 63.200 -0.761 0.000 0.926 29 S HN 0.268 nan 8.310 nan 0.000 0.539 30 Y N 1.779 122.012 120.300 -0.111 0.000 2.504 30 Y HA 0.452 5.010 4.550 0.013 0.000 0.351 30 Y C 0.081 175.971 175.900 -0.017 0.000 0.988 30 Y CA -0.283 57.787 58.100 -0.049 0.000 1.239 30 Y CB -0.327 38.115 38.460 -0.030 0.000 1.128 30 Y HN 0.316 nan 8.280 nan 0.000 0.525 31 L N 2.725 124.023 121.223 0.125 0.000 2.371 31 L HA 0.521 4.868 4.340 0.013 0.000 0.262 31 L C -0.244 176.684 176.870 0.097 0.000 1.006 31 L CA -1.161 53.745 54.840 0.110 0.000 0.818 31 L CB 2.437 44.556 42.059 0.099 0.000 1.354 31 L HN 0.414 nan 8.230 nan 0.000 0.415 32 E N 0.658 120.912 120.200 0.090 0.000 2.318 32 E HA 0.157 4.515 4.350 0.013 0.000 0.265 32 E C -0.671 175.969 176.600 0.067 0.000 1.069 32 E CA -0.632 55.813 56.400 0.075 0.000 0.893 32 E CB 1.318 31.060 29.700 0.070 0.000 1.076 32 E HN 0.465 nan 8.360 nan 0.000 0.414 33 E N 0.125 120.363 120.200 0.063 0.000 2.452 33 E HA 0.035 4.393 4.350 0.013 0.000 0.261 33 E C 0.577 177.206 176.600 0.048 0.000 0.987 33 E CA 0.891 57.324 56.400 0.054 0.000 0.926 33 E CB 0.153 29.901 29.700 0.081 0.000 0.934 33 E HN 0.711 nan 8.360 nan 0.000 0.452 34 G N 3.196 112.002 108.800 0.011 0.000 2.217 34 G HA2 -0.253 3.715 3.960 0.013 0.000 0.246 34 G HA3 -0.253 3.715 3.960 0.013 0.000 0.246 34 G C 0.341 175.260 174.900 0.033 0.000 0.990 34 G CA 0.228 45.333 45.100 0.008 0.000 0.627 34 G HN 0.632 nan 8.290 nan 0.000 0.522 35 T N 1.397 115.984 114.554 0.055 0.000 2.888 35 T HA 0.458 4.816 4.350 0.013 0.000 0.301 35 T C 0.422 175.182 174.700 0.099 0.000 1.001 35 T CA 0.236 62.391 62.100 0.091 0.000 1.147 35 T CB 2.034 70.971 68.868 0.115 0.000 0.931 35 T HN 0.481 nan 8.240 nan 0.000 0.541 36 V N 5.448 125.443 119.914 0.135 0.000 2.435 36 V HA 0.394 4.522 4.120 0.013 0.000 0.290 36 V C -0.078 176.139 176.094 0.205 0.000 1.030 36 V CA -0.910 61.487 62.300 0.162 0.000 0.881 36 V CB 1.423 33.378 31.823 0.220 0.000 0.983 36 V HN 0.689 nan 8.190 nan 0.000 0.445 37 I N 5.532 126.219 120.570 0.195 0.000 2.339 37 I HA 0.530 4.708 4.170 0.013 0.000 0.290 37 I C -0.198 176.025 176.117 0.176 0.000 0.994 37 I CA -0.342 61.081 61.300 0.206 0.000 1.191 37 I CB 1.428 39.537 38.000 0.181 0.000 1.343 37 I HN 0.378 nan 8.210 nan 0.000 0.458 38 V N 5.982 126.023 119.914 0.211 0.000 2.841 38 V HA 0.934 5.062 4.120 0.013 0.000 0.310 38 V C -0.925 175.277 176.094 0.180 0.000 1.090 38 V CA -0.293 62.123 62.300 0.194 0.000 0.930 38 V CB 2.091 34.033 31.823 0.198 0.000 1.014 38 V HN 0.904 nan 8.190 nan 0.000 0.425 39 A N 3.659 126.570 122.820 0.152 0.000 2.475 39 A HA 0.647 4.974 4.320 0.013 0.000 0.301 39 A C 0.192 177.903 177.584 0.213 0.000 1.059 39 A CA -0.406 51.691 52.037 0.099 0.000 0.710 39 A CB 1.600 20.594 19.000 -0.011 0.000 1.288 39 A HN 0.789 nan 8.150 nan 0.000 0.408 40 D N 0.589 121.088 120.400 0.165 0.000 2.144 40 D HA -0.036 4.611 4.640 0.013 0.000 0.199 40 D C 0.450 176.957 176.300 0.345 0.000 0.984 40 D CA 1.897 56.028 54.000 0.218 0.000 0.834 40 D CB 0.162 41.069 40.800 0.178 0.000 0.955 40 D HN 0.698 nan 8.370 nan 0.000 0.465 41 K N -0.653 119.907 120.400 0.268 0.000 2.556 41 K HA 0.470 4.798 4.320 0.013 0.000 0.274 41 K C -1.184 175.419 176.600 0.005 0.000 0.966 41 K CA -0.870 55.536 56.287 0.199 0.000 0.865 41 K CB 1.857 34.421 32.500 0.107 0.000 1.444 41 K HN -0.263 nan 8.250 nan 0.000 0.433 42 Q N 0.808 120.504 119.800 -0.173 0.000 2.353 42 Q HA 0.244 4.592 4.340 0.013 0.000 0.268 42 Q C 0.055 175.934 176.000 -0.202 0.000 1.045 42 Q CA -0.722 54.956 55.803 -0.209 0.000 0.811 42 Q CB 2.329 30.893 28.738 -0.289 0.000 1.305 42 Q HN 0.899 nan 8.270 nan 0.000 0.447 43 T N -1.534 112.923 114.554 -0.161 0.000 3.057 43 T HA 0.198 4.556 4.350 0.013 0.000 0.254 43 T C 0.900 175.505 174.700 -0.158 0.000 1.094 43 T CA 0.380 62.399 62.100 -0.134 0.000 1.088 43 T CB 0.190 69.004 68.868 -0.089 0.000 0.934 43 T HN 0.536 nan 8.240 nan 0.000 0.497 44 M N 1.800 121.269 119.600 -0.218 0.000 3.404 44 M HA 0.388 4.875 4.480 0.013 0.000 0.398 44 M C 0.484 176.407 176.300 -0.628 0.000 1.599 44 M CA -0.784 54.334 55.300 -0.303 0.000 0.696 44 M CB 1.320 33.811 32.600 -0.182 0.000 1.427 44 M HN 0.241 nan 8.290 nan 0.000 0.502 45 G N 0.368 108.908 108.800 -0.433 0.000 2.353 45 G HA2 0.245 4.213 3.960 0.013 0.000 0.239 45 G HA3 0.245 4.213 3.960 0.013 0.000 0.239 45 G C -0.946 173.721 174.900 -0.389 0.000 1.295 45 G CA 0.183 45.057 45.100 -0.378 0.000 0.884 45 G HN 0.607 nan 8.290 nan 0.000 0.537 46 H N 0.075 119.147 119.070 0.004 0.000 2.572 46 H HA 0.618 5.182 4.556 0.013 0.000 0.359 46 H C 0.710 176.030 175.328 -0.013 0.000 1.134 46 H CA -0.137 55.914 56.048 0.006 0.000 1.187 46 H CB 2.049 31.791 29.762 -0.033 0.000 1.597 46 H HN 0.758 nan 8.280 nan 0.000 0.524 47 G N 0.202 109.097 108.800 0.158 0.000 2.887 47 G HA2 0.596 4.564 3.960 0.013 0.000 0.277 47 G HA3 0.596 4.564 3.960 0.013 0.000 0.277 47 G C -0.641 174.277 174.900 0.030 0.000 1.346 47 G CA -0.642 44.499 45.100 0.067 0.000 1.058 47 G HN 0.773 nan 8.290 nan 0.000 0.535 48 A N -1.040 121.777 122.820 -0.004 0.000 2.386 48 A HA 0.536 4.864 4.320 0.013 0.000 0.248 48 A C 0.952 178.540 177.584 0.007 0.000 1.082 48 A CA -0.155 51.873 52.037 -0.015 0.000 0.789 48 A CB -0.285 18.694 19.000 -0.035 0.000 1.025 48 A HN 1.491 nan 8.150 nan 0.000 0.490 49 L N 0.265 121.485 121.223 -0.005 0.000 3.634 49 L HA -0.301 4.047 4.340 0.013 0.000 0.423 49 L C 0.396 177.270 176.870 0.007 0.000 1.253 49 L CA 0.672 55.512 54.840 -0.001 0.000 0.885 49 L CB -2.232 39.831 42.059 0.007 0.000 1.789 49 L HN 1.077 nan 8.230 nan 0.000 0.904 50 N N -1.802 116.900 118.700 0.002 0.000 2.725 50 N HA -0.226 4.522 4.740 0.013 0.000 0.249 50 N C 0.515 176.053 175.510 0.047 0.000 1.103 50 N CA 1.251 54.308 53.050 0.012 0.000 0.707 50 N CB -0.495 37.990 38.487 -0.004 0.000 1.043 50 N HN 0.815 nan 8.380 nan 0.000 0.553 51 R N 0.231 120.771 120.500 0.068 0.000 2.543 51 R HA 0.445 4.792 4.340 0.013 0.000 0.268 51 R C -0.054 176.315 176.300 0.115 0.000 1.067 51 R CA -0.845 55.304 56.100 0.083 0.000 1.142 51 R CB 1.057 31.415 30.300 0.096 0.000 1.110 51 R HN 0.111 nan 8.270 nan 0.000 0.549 52 K N 1.569 122.019 120.400 0.083 0.000 2.201 52 K HA 0.118 4.446 4.320 0.013 0.000 0.278 52 K C -1.417 175.234 176.600 0.084 0.000 1.027 52 K CA -0.683 55.639 56.287 0.059 0.000 0.909 52 K CB 0.942 33.439 32.500 -0.005 0.000 1.062 52 K HN 0.701 nan 8.250 nan 0.000 0.465 53 W N 6.326 127.539 121.300 -0.145 0.000 2.318 53 W HA 0.206 4.874 4.660 0.013 0.000 0.315 53 W C -0.886 175.460 176.519 -0.289 0.000 1.033 53 W CA -0.625 56.609 57.345 -0.184 0.000 1.275 53 W CB 1.176 30.526 29.460 -0.183 0.000 1.250 53 W HN 0.616 nan 8.180 nan 0.000 0.421 54 E N 3.183 122.981 120.200 -0.669 0.000 2.366 54 E HA 0.046 4.404 4.350 0.013 0.000 0.266 54 E C -0.232 175.883 176.600 -0.808 0.000 1.015 54 E CA 0.415 56.471 56.400 -0.574 0.000 0.906 54 E CB 1.032 30.459 29.700 -0.456 0.000 0.979 54 E HN 0.244 nan 8.360 nan 0.000 0.443 55 S N 4.685 119.970 115.700 -0.693 0.000 2.204 55 S HA 0.244 4.722 4.470 0.013 0.000 0.178 55 S C -2.239 172.097 174.600 -0.440 0.000 1.493 55 S CA -1.033 56.460 58.200 -1.179 0.000 1.266 55 S CB 0.774 63.180 63.200 -1.324 0.000 1.232 55 S HN 0.364 nan 8.310 nan 0.000 0.406 56 P HA 0.245 nan 4.420 nan 0.000 0.276 56 P C -0.384 177.135 177.300 0.364 0.000 1.261 56 P CA -0.447 62.728 63.100 0.125 0.000 0.800 56 P CB 0.771 32.511 31.700 0.067 0.000 1.066 57 E N -0.603 119.732 120.200 0.224 0.000 2.413 57 E HA 0.296 4.654 4.350 0.013 0.000 0.263 57 E C 1.039 177.732 176.600 0.154 0.000 1.015 57 E CA 0.974 57.495 56.400 0.202 0.000 0.916 57 E CB -0.300 29.468 29.700 0.114 0.000 0.947 57 E HN 0.815 nan 8.360 nan 0.000 0.440 58 G N 1.923 110.772 108.800 0.081 0.000 2.316 58 G HA2 -0.170 3.798 3.960 0.013 0.000 0.203 58 G HA3 -0.170 3.798 3.960 0.013 0.000 0.203 58 G C 0.449 175.274 174.900 -0.127 0.000 0.999 58 G CA -0.375 44.724 45.100 -0.002 0.000 0.649 58 G HN 0.811 nan 8.290 nan 0.000 0.489 59 G N -0.598 108.055 108.800 -0.244 0.000 2.552 59 G HA2 0.688 4.656 3.960 0.013 0.000 0.318 59 G HA3 0.688 4.656 3.960 0.013 0.000 0.318 59 G C -0.891 173.228 174.900 -1.303 0.000 1.240 59 G CA -0.607 43.971 45.100 -0.869 0.000 1.002 59 G HN 0.884 nan 8.290 nan 0.000 0.493 60 L N 0.387 120.839 121.223 -1.284 0.000 2.277 60 L HA 0.589 4.937 4.340 0.013 0.000 0.284 60 L C -1.420 175.096 176.870 -0.589 0.000 1.028 60 L CA -1.112 53.294 54.840 -0.724 0.000 0.835 60 L CB 0.356 42.236 42.059 -0.298 0.000 1.215 60 L HN 0.515 nan 8.230 nan 0.000 0.425 61 W N 7.742 129.100 121.300 0.096 0.000 2.336 61 W HA 0.616 5.282 4.660 0.009 0.000 0.315 61 W C -0.910 175.637 176.519 0.047 0.000 1.016 61 W CA -0.994 56.389 57.345 0.063 0.000 1.318 61 W CB 1.019 30.515 29.460 0.060 0.000 1.247 61 W HN 0.381 nan 8.180 nan 0.000 0.414 62 L N 0.550 121.900 121.223 0.212 0.000 2.479 62 L HA 0.936 5.284 4.340 0.013 0.000 0.255 62 L C -0.451 176.465 176.870 0.078 0.000 1.026 62 L CA -1.097 53.833 54.840 0.149 0.000 0.842 62 L CB 1.944 44.114 42.059 0.184 0.000 1.444 62 L HN 0.051 nan 8.230 nan 0.000 0.409 63 S N 0.774 116.517 115.700 0.072 0.000 2.549 63 S HA 0.866 5.344 4.470 0.013 0.000 0.280 63 S C -0.856 173.766 174.600 0.036 0.000 1.109 63 S CA -0.419 57.800 58.200 0.031 0.000 0.905 63 S CB 1.604 64.824 63.200 0.034 0.000 1.081 63 S HN 0.592 nan 8.310 nan 0.000 0.477 64 I N 1.739 122.301 120.570 -0.014 0.000 2.498 64 I HA 0.395 4.573 4.170 0.013 0.000 0.290 64 I C -0.810 175.274 176.117 -0.055 0.000 1.032 64 I CA -0.987 60.292 61.300 -0.035 0.000 1.073 64 I CB 1.942 39.884 38.000 -0.098 0.000 1.251 64 I HN 0.262 nan 8.210 nan 0.000 0.426 65 V N 7.196 127.094 119.914 -0.028 0.000 2.461 65 V HA 0.376 4.504 4.120 0.013 0.000 0.275 65 V C 0.099 176.150 176.094 -0.073 0.000 1.047 65 V CA -0.124 62.160 62.300 -0.027 0.000 0.955 65 V CB 0.910 32.744 31.823 0.019 0.000 0.988 65 V HN 0.450 nan 8.190 nan 0.000 0.471 66 L N 3.728 124.902 121.223 -0.081 0.000 2.354 66 L HA 0.620 4.967 4.340 0.013 0.000 0.264 66 L C 0.097 176.986 176.870 0.032 0.000 1.008 66 L CA -0.341 54.441 54.840 -0.096 0.000 0.819 66 L CB 2.310 44.233 42.059 -0.226 0.000 1.339 66 L HN 0.535 nan 8.230 nan 0.000 0.420 67 S N 1.829 117.602 115.700 0.122 0.000 2.407 67 S HA 0.331 4.809 4.470 0.013 0.000 0.166 67 S C -2.568 172.150 174.600 0.197 0.000 1.445 67 S CA -0.989 57.290 58.200 0.131 0.000 1.260 67 S CB 0.350 63.610 63.200 0.100 0.000 1.401 67 S HN 0.322 nan 8.310 nan 0.000 0.379 68 P HA 0.195 nan 4.420 nan 0.000 0.266 68 P C -0.519 176.872 177.300 0.152 0.000 1.215 68 P CA -0.254 63.015 63.100 0.282 0.000 0.763 68 P CB 0.480 32.426 31.700 0.411 0.000 0.806 69 K N 3.082 123.534 120.400 0.088 0.000 3.165 69 K HA 0.209 4.537 4.320 0.013 0.000 0.259 69 K C 0.402 177.008 176.600 0.009 0.000 1.282 69 K CA -0.409 55.905 56.287 0.045 0.000 1.259 69 K CB -0.395 32.121 32.500 0.028 0.000 1.546 69 K HN 0.361 nan 8.250 nan 0.000 0.384 70 V N -1.831 118.098 119.914 0.024 0.000 2.975 70 V HA 0.620 4.748 4.120 0.013 0.000 0.318 70 V C -2.456 173.645 176.094 0.012 0.000 1.077 70 V CA -2.720 59.564 62.300 -0.026 0.000 1.000 70 V CB 1.091 32.858 31.823 -0.093 0.000 1.066 70 V HN 0.066 nan 8.190 nan 0.000 0.452 71 P HA 0.111 nan 4.420 nan 0.000 0.266 71 P C 0.589 177.921 177.300 0.053 0.000 1.193 71 P CA 0.059 63.171 63.100 0.020 0.000 0.770 71 P CB 0.361 32.066 31.700 0.008 0.000 0.836 72 Q N 2.395 122.231 119.800 0.060 0.000 2.234 72 Q HA -0.213 4.135 4.340 0.013 0.000 0.206 72 Q C 1.697 177.758 176.000 0.101 0.000 0.980 72 Q CA 1.645 57.492 55.803 0.075 0.000 0.869 72 Q CB -0.310 28.463 28.738 0.058 0.000 0.912 72 Q HN 0.661 nan 8.270 nan 0.000 0.436 73 K N 0.140 120.606 120.400 0.109 0.000 2.283 73 K HA -0.115 4.213 4.320 0.013 0.000 0.202 73 K C 0.883 177.579 176.600 0.161 0.000 1.048 73 K CA 1.479 57.862 56.287 0.161 0.000 0.948 73 K CB 0.151 32.755 32.500 0.172 0.000 0.742 73 K HN 0.008 nan 8.250 nan 0.000 0.458 74 D N 1.038 121.519 120.400 0.135 0.000 2.346 74 D HA 0.046 4.694 4.640 0.013 0.000 0.206 74 D C 1.974 178.471 176.300 0.327 0.000 1.001 74 D CA 0.314 54.433 54.000 0.198 0.000 0.871 74 D CB 0.154 41.006 40.800 0.087 0.000 0.943 74 D HN 0.191 nan 8.370 nan 0.000 0.518 75 L N 1.086 122.453 121.223 0.240 0.000 2.081 75 L HA -0.158 4.189 4.340 0.013 0.000 0.212 75 L C -0.510 176.451 176.870 0.152 0.000 1.080 75 L CA 1.398 56.363 54.840 0.209 0.000 0.754 75 L CB -1.676 40.461 42.059 0.131 0.000 0.893 75 L HN -0.002 nan 8.230 nan 0.000 0.433 76 P HA -0.138 nan 4.420 nan 0.000 0.228 76 P C 1.012 178.381 177.300 0.115 0.000 1.151 76 P CA 1.161 64.352 63.100 0.152 0.000 0.770 76 P CB 0.002 31.801 31.700 0.165 0.000 0.786 77 K N -0.980 119.507 120.400 0.145 0.000 2.426 77 K HA 0.126 4.454 4.320 0.013 0.000 0.193 77 K C 1.675 178.172 176.600 -0.172 0.000 1.028 77 K CA 0.249 56.611 56.287 0.125 0.000 1.047 77 K CB -0.212 32.550 32.500 0.437 0.000 0.821 77 K HN 0.207 nan 8.250 nan 0.000 0.513 78 I N 0.546 120.969 120.570 -0.245 0.000 2.264 78 I HA -0.280 3.898 4.170 0.013 0.000 0.248 78 I C 2.271 178.208 176.117 -0.300 0.000 1.111 78 I CA 0.960 62.060 61.300 -0.333 0.000 1.382 78 I CB -0.303 37.577 38.000 -0.201 0.000 1.060 78 I HN 0.002 nan 8.210 nan 0.000 0.418 79 V N 0.892 120.574 119.914 -0.386 0.000 2.469 79 V HA -0.290 3.838 4.120 0.013 0.000 0.251 79 V C 2.248 178.124 176.094 -0.363 0.000 1.064 79 V CA 1.943 63.977 62.300 -0.444 0.000 1.066 79 V CB -0.456 30.958 31.823 -0.683 0.000 0.667 79 V HN 0.242 nan 8.190 nan 0.000 0.461 80 F N -0.124 119.706 119.950 -0.200 0.000 2.293 80 F HA -0.007 4.527 4.527 0.011 0.000 0.300 80 F C 2.077 177.802 175.800 -0.124 0.000 1.086 80 F CA 1.070 58.982 58.000 -0.147 0.000 1.375 80 F CB -0.856 38.092 39.000 -0.086 0.000 1.045 80 F HN 0.144 nan 8.300 nan 0.000 0.516 81 L N -0.556 120.662 121.223 -0.008 0.000 2.046 81 L HA -0.126 4.221 4.340 0.013 0.000 0.208 81 L C 2.766 179.611 176.870 -0.041 0.000 1.077 81 L CA 1.435 56.249 54.840 -0.042 0.000 0.747 81 L CB -1.440 40.541 42.059 -0.128 0.000 0.896 81 L HN 0.247 nan 8.230 nan 0.000 0.432 82 G N -0.384 108.367 108.800 -0.082 0.000 2.421 82 G HA2 -0.223 3.745 3.960 0.013 0.000 0.216 82 G HA3 -0.223 3.745 3.960 0.013 0.000 0.216 82 G C 1.790 176.660 174.900 -0.050 0.000 1.171 82 G CA 0.806 45.857 45.100 -0.083 0.000 0.775 82 G HN 0.451 nan 8.290 nan 0.000 0.543 83 A N 0.114 122.915 122.820 -0.031 0.000 1.877 83 A HA 0.047 4.375 4.320 0.013 0.000 0.216 83 A C 2.612 180.208 177.584 0.019 0.000 1.186 83 A CA 1.955 53.992 52.037 0.001 0.000 0.620 83 A CB -0.749 18.276 19.000 0.042 0.000 0.822 83 A HN 0.268 nan 8.150 nan 0.000 0.443 84 V N -0.043 119.892 119.914 0.035 0.000 2.343 84 V HA -0.166 3.962 4.120 0.013 0.000 0.247 84 V C 2.814 178.918 176.094 0.016 0.000 1.051 84 V CA 1.875 64.192 62.300 0.028 0.000 1.036 84 V CB -1.448 30.396 31.823 0.035 0.000 0.654 84 V HN 0.628 nan 8.190 nan 0.000 0.451 85 G N -0.193 108.610 108.800 0.005 0.000 2.440 85 G HA2 -0.220 3.748 3.960 0.013 0.000 0.218 85 G HA3 -0.220 3.748 3.960 0.013 0.000 0.218 85 G C 1.673 176.572 174.900 -0.003 0.000 1.154 85 G CA 1.296 46.394 45.100 -0.004 0.000 0.767 85 G HN 0.388 nan 8.290 nan 0.000 0.552 86 V N 0.381 120.290 119.914 -0.008 0.000 2.358 86 V HA -0.161 3.967 4.120 0.013 0.000 0.246 86 V C 3.033 179.135 176.094 0.014 0.000 1.047 86 V CA 1.442 63.739 62.300 -0.004 0.000 1.035 86 V CB -0.325 31.493 31.823 -0.008 0.000 0.658 86 V HN 0.251 nan 8.190 nan 0.000 0.452 87 V N 0.026 119.950 119.914 0.017 0.000 2.287 87 V HA -0.288 3.840 4.120 0.013 0.000 0.248 87 V C 2.433 178.547 176.094 0.033 0.000 1.053 87 V CA 2.199 64.513 62.300 0.023 0.000 1.027 87 V CB -0.685 31.149 31.823 0.019 0.000 0.646 87 V HN 0.639 nan 8.190 nan 0.000 0.447 88 E N -0.307 119.911 120.200 0.030 0.000 2.077 88 E HA -0.202 4.156 4.350 0.013 0.000 0.193 88 E C 2.289 178.927 176.600 0.062 0.000 0.989 88 E CA 1.797 58.218 56.400 0.036 0.000 0.800 88 E CB -0.333 29.382 29.700 0.026 0.000 0.746 88 E HN 0.558 nan 8.360 nan 0.000 0.452 89 T N 1.632 116.230 114.554 0.073 0.000 2.746 89 T HA -0.096 4.261 4.350 0.013 0.000 0.267 89 T C 1.965 176.803 174.700 0.230 0.000 1.039 89 T CA 0.738 62.925 62.100 0.145 0.000 1.142 89 T CB -0.152 68.771 68.868 0.092 0.000 0.866 89 T HN 0.079 nan 8.240 nan 0.000 0.444 90 L N 0.423 121.721 121.223 0.125 0.000 2.046 90 L HA -0.113 4.235 4.340 0.013 0.000 0.208 90 L C 2.605 179.567 176.870 0.153 0.000 1.077 90 L CA 1.431 56.345 54.840 0.123 0.000 0.747 90 L CB -0.441 41.649 42.059 0.052 0.000 0.896 90 L HN 0.228 nan 8.230 nan 0.000 0.432 91 K N -0.038 120.423 120.400 0.101 0.000 2.148 91 K HA -0.174 4.153 4.320 0.013 0.000 0.204 91 K C 1.938 178.575 176.600 0.062 0.000 1.050 91 K CA 1.150 57.478 56.287 0.068 0.000 0.942 91 K CB -0.062 32.460 32.500 0.038 0.000 0.724 91 K HN 0.347 nan 8.250 nan 0.000 0.446 92 E N -0.223 120.022 120.200 0.076 0.000 2.153 92 E HA -0.139 4.219 4.350 0.013 0.000 0.194 92 E C 0.837 177.341 176.600 -0.160 0.000 0.988 92 E CA 0.922 57.297 56.400 -0.042 0.000 0.811 92 E CB 0.026 29.694 29.700 -0.052 0.000 0.746 92 E HN 0.247 nan 8.360 nan 0.000 0.466 93 F N 0.078 120.025 119.950 -0.006 0.000 2.645 93 F HA 0.167 4.700 4.527 0.009 0.000 0.300 93 F C 0.581 176.380 175.800 -0.003 0.000 1.115 93 F CA -0.066 57.931 58.000 -0.004 0.000 1.355 93 F CB 0.486 39.483 39.000 -0.005 0.000 1.026 93 F HN -0.277 nan 8.300 nan 0.000 0.536 94 S N 0.912 116.679 115.700 0.112 0.000 3.698 94 S HA -0.202 4.276 4.470 0.013 0.000 0.338 94 S C 0.004 174.648 174.600 0.074 0.000 1.089 94 S CA 0.237 58.478 58.200 0.067 0.000 0.991 94 S CB -2.018 61.208 63.200 0.042 0.000 0.909 94 S HN 0.321 nan 8.310 nan 0.000 0.485 95 I N 1.253 121.875 120.570 0.088 0.000 2.378 95 I HA 0.277 4.455 4.170 0.013 0.000 0.291 95 I C 0.132 176.274 176.117 0.041 0.000 0.992 95 I CA -0.645 60.691 61.300 0.060 0.000 1.154 95 I CB 1.550 39.586 38.000 0.059 0.000 1.315 95 I HN -0.034 nan 8.210 nan 0.000 0.448 96 D N 5.915 126.329 120.400 0.023 0.000 2.508 96 D HA 0.211 4.859 4.640 0.013 0.000 0.224 96 D C 0.360 176.658 176.300 -0.004 0.000 1.171 96 D CA -0.005 54.000 54.000 0.009 0.000 1.006 96 D CB 0.357 41.158 40.800 0.001 0.000 1.073 96 D HN 0.629 nan 8.370 nan 0.000 0.513 97 G N 2.850 111.652 108.800 0.004 0.000 2.390 97 G HA2 0.473 4.441 3.960 0.013 0.000 0.270 97 G HA3 0.473 4.441 3.960 0.013 0.000 0.270 97 G C -0.189 174.702 174.900 -0.016 0.000 1.211 97 G CA -0.698 44.400 45.100 -0.004 0.000 0.842 97 G HN 0.408 nan 8.290 nan 0.000 0.519 98 R N 1.383 121.861 120.500 -0.037 0.000 2.686 98 R HA 0.361 4.708 4.340 0.013 0.000 0.283 98 R C -0.527 175.765 176.300 -0.013 0.000 0.978 98 R CA -0.884 55.190 56.100 -0.045 0.000 0.897 98 R CB 2.499 32.730 30.300 -0.115 0.000 1.192 98 R HN 0.426 nan 8.270 nan 0.000 0.457 99 I N 2.406 122.992 120.570 0.027 0.000 2.416 99 I HA 0.113 4.290 4.170 0.013 0.000 0.288 99 I C 0.395 176.602 176.117 0.151 0.000 1.051 99 I CA -0.033 61.314 61.300 0.079 0.000 1.375 99 I CB 0.740 38.794 38.000 0.090 0.000 1.407 99 I HN 0.337 nan 8.210 nan 0.000 0.516 100 K N 7.525 128.035 120.400 0.184 0.000 2.292 100 K HA 0.117 4.444 4.320 0.013 0.000 0.270 100 K C -0.659 176.086 176.600 0.242 0.000 1.062 100 K CA -0.644 55.824 56.287 0.301 0.000 0.916 100 K CB 0.614 33.307 32.500 0.321 0.000 1.166 100 K HN 0.530 nan 8.250 nan 0.000 0.458 101 W N 8.035 129.390 121.300 0.092 0.000 2.409 101 W HA -0.021 4.646 4.660 0.011 0.000 0.338 101 W C -1.830 174.699 176.519 0.017 0.000 1.273 101 W CA -0.852 56.536 57.345 0.073 0.000 1.299 101 W CB 0.912 30.420 29.460 0.080 0.000 1.192 101 W HN 0.553 nan 8.180 nan 0.000 0.565 102 P HA 0.036 nan 4.420 nan 0.000 0.291 102 P C 0.021 177.021 177.300 -0.500 0.000 1.341 102 P CA 0.535 63.070 63.100 -0.943 0.000 0.999 102 P CB 0.626 31.130 31.700 -1.994 0.000 1.501 103 N N -0.839 117.644 118.700 -0.361 0.000 2.143 103 N HA 0.080 4.827 4.740 0.013 0.000 0.222 103 N C -0.573 174.862 175.510 -0.126 0.000 1.264 103 N CA -0.080 52.809 53.050 -0.268 0.000 0.897 103 N CB 0.220 38.513 38.487 -0.322 0.000 1.092 103 N HN -0.094 nan 8.380 nan 0.000 0.516 104 D N 0.649 121.024 120.400 -0.042 0.000 2.269 104 D HA 0.420 5.068 4.640 0.013 0.000 0.244 104 D C -0.526 175.810 176.300 0.060 0.000 0.992 104 D CA -0.450 53.569 54.000 0.031 0.000 0.894 104 D CB 3.181 44.034 40.800 0.089 0.000 1.248 104 D HN -0.211 nan 8.370 nan 0.000 0.468 105 V N 1.918 121.876 119.914 0.073 0.000 2.487 105 V HA 0.427 4.555 4.120 0.013 0.000 0.298 105 V C -0.028 176.106 176.094 0.066 0.000 1.028 105 V CA -0.698 61.637 62.300 0.059 0.000 0.860 105 V CB 1.609 33.458 31.823 0.043 0.000 0.991 105 V HN 0.306 nan 8.190 nan 0.000 0.427 106 L N 4.524 125.762 121.223 0.026 0.000 2.319 106 L HA 0.803 5.150 4.340 0.013 0.000 0.267 106 L C -0.907 175.940 176.870 -0.039 0.000 1.011 106 L CA -1.093 53.748 54.840 0.001 0.000 0.818 106 L CB 2.322 44.349 42.059 -0.052 0.000 1.316 106 L HN 0.309 nan 8.230 nan 0.000 0.432 107 V N 1.551 121.454 119.914 -0.019 0.000 2.447 107 V HA 0.305 4.433 4.120 0.013 0.000 0.292 107 V C -0.309 175.783 176.094 -0.005 0.000 1.021 107 V CA -0.680 61.609 62.300 -0.019 0.000 0.850 107 V CB 1.270 33.097 31.823 0.008 0.000 1.005 107 V HN 0.885 nan 8.190 nan 0.000 0.426 108 N N 4.364 123.050 118.700 -0.022 0.000 2.740 108 N HA -0.258 4.490 4.740 0.013 0.000 0.248 108 N C 0.119 175.725 175.510 0.159 0.000 1.062 108 N CA 1.172 54.258 53.050 0.059 0.000 0.704 108 N CB -1.247 37.278 38.487 0.064 0.000 0.968 108 N HN 0.966 nan 8.380 nan 0.000 0.547 109 Y N -3.040 117.236 120.300 -0.040 0.000 4.668 109 Y HA -0.318 4.236 4.550 0.006 0.000 0.234 109 Y C 0.457 176.373 175.900 0.025 0.000 1.056 109 Y CA 1.379 59.455 58.100 -0.039 0.000 2.025 109 Y CB -1.391 37.019 38.460 -0.083 0.000 1.613 109 Y HN 0.245 nan 8.280 nan 0.000 0.653 110 K N 0.614 121.084 120.400 0.117 0.000 2.274 110 K HA 0.756 5.084 4.320 0.013 0.000 0.262 110 K C 0.115 176.768 176.600 0.088 0.000 0.961 110 K CA -0.133 56.216 56.287 0.102 0.000 0.833 110 K CB 1.551 34.095 32.500 0.074 0.000 1.102 110 K HN 0.164 nan 8.250 nan 0.000 0.436 111 A N 3.559 126.443 122.820 0.107 0.000 2.522 111 A HA 0.066 4.394 4.320 0.013 0.000 0.256 111 A C 0.632 178.291 177.584 0.124 0.000 1.086 111 A CA 0.174 52.289 52.037 0.131 0.000 0.763 111 A CB -0.297 18.799 19.000 0.161 0.000 1.024 111 A HN 0.992 nan 8.150 nan 0.000 0.502 112 I N 1.124 121.777 120.570 0.138 0.000 4.187 112 I HA 0.470 4.648 4.170 0.013 0.000 0.326 112 I C 0.652 176.898 176.117 0.215 0.000 1.302 112 I CA 0.800 62.179 61.300 0.132 0.000 1.196 112 I CB 0.240 38.283 38.000 0.071 0.000 1.095 112 I HN 0.719 nan 8.210 nan 0.000 0.411 113 A N -0.406 122.567 122.820 0.254 0.000 2.612 113 A HA 0.757 5.085 4.320 0.013 0.000 0.293 113 A C -0.805 176.897 177.584 0.196 0.000 1.075 113 A CA -0.127 52.073 52.037 0.272 0.000 0.680 113 A CB 1.054 20.123 19.000 0.116 0.000 1.279 113 A HN 0.160 nan 8.150 nan 0.000 0.411 114 G N -0.540 108.224 108.800 -0.060 0.000 2.667 114 G HA2 0.642 4.609 3.960 0.013 0.000 0.298 114 G HA3 0.642 4.609 3.960 0.013 0.000 0.298 114 G C -1.603 173.072 174.900 -0.375 0.000 1.377 114 G CA -0.504 44.415 45.100 -0.302 0.000 0.964 114 G HN 1.205 nan 8.290 nan 0.000 0.493 115 V N 1.486 121.232 119.914 -0.279 0.000 2.604 115 V HA 0.684 4.811 4.120 0.013 0.000 0.305 115 V C -0.860 175.085 176.094 -0.249 0.000 1.043 115 V CA -0.822 61.328 62.300 -0.251 0.000 0.888 115 V CB 1.657 33.357 31.823 -0.204 0.000 0.995 115 V HN 0.704 nan 8.190 nan 0.000 0.429 116 L N 5.884 126.974 121.223 -0.223 0.000 2.404 116 L HA 0.716 5.064 4.340 0.013 0.000 0.272 116 L C -0.862 175.926 176.870 -0.136 0.000 0.980 116 L CA -0.077 54.659 54.840 -0.173 0.000 0.836 116 L CB 1.904 43.865 42.059 -0.163 0.000 1.238 116 L HN 0.445 nan 8.230 nan 0.000 0.408 117 V N 4.552 124.396 119.914 -0.117 0.000 2.398 117 V HA 0.560 4.688 4.120 0.013 0.000 0.286 117 V C -0.357 175.698 176.094 -0.066 0.000 1.026 117 V CA -0.561 61.682 62.300 -0.094 0.000 0.868 117 V CB 1.622 33.386 31.823 -0.099 0.000 0.982 117 V HN 0.749 nan 8.190 nan 0.000 0.443 118 E N 2.867 123.030 120.200 -0.061 0.000 2.224 118 E HA 0.703 5.061 4.350 0.013 0.000 0.265 118 E C -0.065 176.508 176.600 -0.045 0.000 0.878 118 E CA -0.473 55.894 56.400 -0.054 0.000 0.759 118 E CB 2.579 32.243 29.700 -0.060 0.000 1.164 118 E HN 0.830 nan 8.360 nan 0.000 0.414 119 G N 1.038 109.814 108.800 -0.038 0.000 2.798 119 G HA2 0.479 4.447 3.960 0.013 0.000 0.286 119 G HA3 0.479 4.447 3.960 0.013 0.000 0.286 119 G C -0.146 174.739 174.900 -0.025 0.000 1.389 119 G CA -0.461 44.623 45.100 -0.026 0.000 0.894 119 G HN 0.371 nan 8.290 nan 0.000 0.488 120 K N -1.167 119.224 120.400 -0.015 0.000 2.618 120 K HA 0.307 4.635 4.320 0.013 0.000 0.205 120 K C 0.857 177.456 176.600 -0.002 0.000 1.445 120 K CA 0.545 56.824 56.287 -0.014 0.000 1.034 120 K CB 1.812 34.300 32.500 -0.020 0.000 1.209 120 K HN 0.965 nan 8.250 nan 0.000 0.627 121 G N 1.241 110.046 108.800 0.008 0.000 3.154 121 G HA2 -0.221 3.747 3.960 0.013 0.000 0.114 121 G HA3 -0.221 3.747 3.960 0.013 0.000 0.114 121 G C 0.284 175.203 174.900 0.031 0.000 2.421 121 G CA 0.339 45.450 45.100 0.019 0.000 1.271 121 G HN 0.125 nan 8.290 nan 0.000 0.371 122 D N 0.878 121.297 120.400 0.031 0.000 2.320 122 D HA 0.120 4.768 4.640 0.013 0.000 0.228 122 D C 1.042 177.369 176.300 0.044 0.000 0.978 122 D CA 0.720 54.745 54.000 0.042 0.000 0.905 122 D CB 0.119 40.943 40.800 0.041 0.000 1.051 122 D HN 0.327 nan 8.370 nan 0.000 0.471 123 K N 0.927 121.345 120.400 0.030 0.000 2.349 123 K HA 0.176 4.504 4.320 0.013 0.000 0.289 123 K C -0.670 175.934 176.600 0.007 0.000 1.064 123 K CA -0.181 56.119 56.287 0.021 0.000 0.947 123 K CB 0.378 32.884 32.500 0.010 0.000 1.007 123 K HN 0.051 nan 8.250 nan 0.000 0.478 124 I N 4.993 125.567 120.570 0.005 0.000 2.474 124 I HA 0.249 4.427 4.170 0.013 0.000 0.294 124 I C -0.403 175.692 176.117 -0.037 0.000 1.005 124 I CA -0.965 60.328 61.300 -0.013 0.000 1.113 124 I CB 1.724 39.725 38.000 0.001 0.000 1.289 124 I HN 0.300 nan 8.210 nan 0.000 0.436 125 V N 6.608 126.494 119.914 -0.046 0.000 2.357 125 V HA 0.321 4.449 4.120 0.013 0.000 0.284 125 V C -0.274 175.777 176.094 -0.072 0.000 1.018 125 V CA -0.729 61.540 62.300 -0.052 0.000 0.841 125 V CB 2.062 33.862 31.823 -0.039 0.000 0.991 125 V HN 0.464 nan 8.190 nan 0.000 0.437 126 L N 5.823 126.992 121.223 -0.090 0.000 2.264 126 L HA 0.816 5.164 4.340 0.013 0.000 0.287 126 L C 0.490 177.304 176.870 -0.093 0.000 1.039 126 L CA 0.249 55.023 54.840 -0.111 0.000 0.829 126 L CB 0.718 42.691 42.059 -0.144 0.000 1.211 126 L HN 0.641 nan 8.230 nan 0.000 0.427 127 G N 6.101 114.840 108.800 -0.102 0.000 2.356 127 G HA2 0.661 4.629 3.960 0.013 0.000 0.322 127 G HA3 0.661 4.629 3.960 0.013 0.000 0.322 127 G C -0.930 173.890 174.900 -0.134 0.000 1.125 127 G CA -0.456 44.586 45.100 -0.098 0.000 0.885 127 G HN 0.601 nan 8.290 nan 0.000 0.467 128 I N 1.205 121.717 120.570 -0.098 0.000 2.569 128 I HA 0.495 4.672 4.170 0.013 0.000 0.290 128 I C 0.217 176.315 176.117 -0.032 0.000 1.088 128 I CA -0.859 60.378 61.300 -0.106 0.000 1.047 128 I CB 2.726 40.685 38.000 -0.068 0.000 1.237 128 I HN 0.599 nan 8.210 nan 0.000 0.421 129 G N 6.070 114.820 108.800 -0.084 0.000 2.557 129 G HA2 0.658 4.626 3.960 0.013 0.000 0.310 129 G HA3 0.658 4.626 3.960 0.013 0.000 0.310 129 G C -1.719 173.408 174.900 0.378 0.000 1.328 129 G CA -0.368 44.906 45.100 0.290 0.000 0.945 129 G HN 0.375 nan 8.290 nan 0.000 0.494 130 L N 2.248 123.619 121.223 0.247 0.000 2.376 130 L HA 0.516 4.864 4.340 0.013 0.000 0.275 130 L C -0.909 175.939 176.870 -0.037 0.000 0.987 130 L CA -1.077 53.829 54.840 0.110 0.000 0.828 130 L CB 1.697 43.735 42.059 -0.035 0.000 1.249 130 L HN 0.362 nan 8.230 nan 0.000 0.409 131 N N 4.091 122.864 118.700 0.121 0.000 2.442 131 N HA 0.229 4.977 4.740 0.013 0.000 0.265 131 N C 0.360 175.831 175.510 -0.066 0.000 1.138 131 N CA -0.047 53.035 53.050 0.054 0.000 0.956 131 N CB 1.963 40.525 38.487 0.125 0.000 1.067 131 N HN 0.558 nan 8.380 nan 0.000 0.474 132 V N 2.394 122.223 119.914 -0.141 0.000 3.204 132 V HA 0.098 4.226 4.120 0.013 0.000 0.218 132 V C 1.218 177.256 176.094 -0.092 0.000 1.159 132 V CA 0.430 62.640 62.300 -0.150 0.000 1.282 132 V CB -0.005 31.691 31.823 -0.212 0.000 1.225 132 V HN 0.574 nan 8.190 nan 0.000 0.509 133 N N 1.111 119.763 118.700 -0.080 0.000 2.184 133 N HA 0.100 4.848 4.740 0.013 0.000 0.206 133 N C 0.122 175.630 175.510 -0.004 0.000 1.151 133 N CA -0.078 52.949 53.050 -0.038 0.000 0.878 133 N CB 0.093 38.557 38.487 -0.038 0.000 1.014 133 N HN 0.655 nan 8.380 nan 0.000 0.512 134 N N 1.077 119.788 118.700 0.018 0.000 2.424 134 N HA 0.069 4.817 4.740 0.013 0.000 0.257 134 N C -0.131 175.409 175.510 0.050 0.000 1.250 134 N CA 0.057 53.149 53.050 0.070 0.000 0.946 134 N CB 1.378 39.977 38.487 0.186 0.000 1.175 134 N HN -0.135 nan 8.380 nan 0.000 0.477 135 K N -0.148 120.276 120.400 0.041 0.000 2.295 135 K HA 0.283 4.611 4.320 0.013 0.000 0.270 135 K C 0.036 176.637 176.600 0.002 0.000 1.011 135 K CA -0.620 55.675 56.287 0.012 0.000 0.953 135 K CB 0.973 33.473 32.500 0.000 0.000 0.956 135 K HN 0.562 nan 8.250 nan 0.000 0.477 136 V N -0.675 119.227 119.914 -0.021 0.000 3.074 136 V HA 0.554 4.682 4.120 0.013 0.000 0.314 136 V C -2.601 173.447 176.094 -0.076 0.000 1.117 136 V CA -2.448 59.818 62.300 -0.057 0.000 1.014 136 V CB 1.116 32.916 31.823 -0.038 0.000 1.057 136 V HN 0.592 nan 8.190 nan 0.000 0.438 137 P HA 0.277 nan 4.420 nan 0.000 0.270 137 P C -0.714 176.551 177.300 -0.059 0.000 1.223 137 P CA -0.182 62.858 63.100 -0.101 0.000 0.785 137 P CB 0.109 31.725 31.700 -0.141 0.000 0.923 138 N N 0.962 119.636 118.700 -0.042 0.000 2.412 138 N HA 0.245 4.993 4.740 0.013 0.000 0.258 138 N C 1.528 177.030 175.510 -0.013 0.000 1.236 138 N CA 1.576 54.613 53.050 -0.022 0.000 0.882 138 N CB -0.121 38.356 38.487 -0.017 0.000 1.066 138 N HN 0.753 nan 8.380 nan 0.000 0.465 139 G N -0.605 108.195 108.800 0.000 0.000 2.258 139 G HA2 -0.206 3.761 3.960 0.013 0.000 0.233 139 G HA3 -0.206 3.761 3.960 0.013 0.000 0.233 139 G C 0.315 175.230 174.900 0.026 0.000 1.006 139 G CA 0.335 45.446 45.100 0.018 0.000 0.620 139 G HN 0.918 nan 8.290 nan 0.000 0.511 140 A N -0.920 121.903 122.820 0.004 0.000 2.274 140 A HA 0.937 5.265 4.320 0.013 0.000 0.297 140 A C 0.455 178.049 177.584 0.016 0.000 1.191 140 A CA 1.028 53.071 52.037 0.009 0.000 0.889 140 A CB 1.256 20.235 19.000 -0.037 0.000 1.294 140 A HN 1.385 nan 8.150 nan 0.000 0.506 141 T N -1.816 112.754 114.554 0.026 0.000 2.754 141 T HA 0.662 5.019 4.350 0.013 0.000 0.296 141 T C -0.700 174.017 174.700 0.028 0.000 1.205 141 T CA 0.213 62.328 62.100 0.025 0.000 1.009 141 T CB 1.180 70.066 68.868 0.030 0.000 1.368 141 T HN 1.852 nan 8.240 nan 0.000 0.509 142 S N 0.456 116.166 115.700 0.017 0.000 2.651 142 S HA 0.486 4.964 4.470 0.013 0.000 0.279 142 S C 1.143 175.735 174.600 -0.012 0.000 1.148 142 S CA -0.882 57.322 58.200 0.007 0.000 0.837 142 S CB 1.154 64.355 63.200 0.003 0.000 1.138 142 S HN 0.723 nan 8.310 nan 0.000 0.478 143 M N 1.095 120.668 119.600 -0.043 0.000 2.117 143 M HA -0.040 4.448 4.480 0.013 0.000 0.262 143 M C 2.297 178.574 176.300 -0.038 0.000 1.065 143 M CA 1.720 56.982 55.300 -0.063 0.000 1.114 143 M CB -0.527 31.983 32.600 -0.150 0.000 1.361 143 M HN 0.871 nan 8.290 nan 0.000 0.408 144 K N 1.135 121.512 120.400 -0.038 0.000 2.057 144 K HA -0.138 4.190 4.320 0.013 0.000 0.207 144 K C 1.769 178.366 176.600 -0.004 0.000 1.049 144 K CA 1.242 57.518 56.287 -0.019 0.000 0.931 144 K CB -0.114 32.374 32.500 -0.019 0.000 0.714 144 K HN 0.298 nan 8.250 nan 0.000 0.440 145 L N 0.852 122.073 121.223 -0.002 0.000 2.093 145 L HA -0.156 4.192 4.340 0.013 0.000 0.208 145 L C 2.463 179.338 176.870 0.009 0.000 1.085 145 L CA 0.966 55.808 54.840 0.004 0.000 0.755 145 L CB -0.323 41.739 42.059 0.006 0.000 0.904 145 L HN 0.224 nan 8.230 nan 0.000 0.435 146 E N 0.180 120.385 120.200 0.009 0.000 2.072 146 E HA -0.102 4.256 4.350 0.013 0.000 0.190 146 E C 2.287 178.899 176.600 0.020 0.000 0.982 146 E CA 1.081 57.490 56.400 0.015 0.000 0.803 146 E CB -0.097 29.612 29.700 0.016 0.000 0.755 146 E HN 0.482 nan 8.360 nan 0.000 0.453 147 L N -0.649 120.587 121.223 0.021 0.000 2.418 147 L HA 0.115 4.463 4.340 0.013 0.000 0.218 147 L C 1.502 178.387 176.870 0.024 0.000 1.125 147 L CA 0.591 55.450 54.840 0.031 0.000 0.835 147 L CB -0.138 41.949 42.059 0.046 0.000 0.953 147 L HN 0.267 nan 8.230 nan 0.000 0.454 148 G N 0.407 109.217 108.800 0.017 0.000 2.159 148 G HA2 -0.277 3.690 3.960 0.013 0.000 0.256 148 G HA3 -0.277 3.690 3.960 0.013 0.000 0.256 148 G C 0.235 175.143 174.900 0.013 0.000 0.977 148 G CA 0.331 45.439 45.100 0.014 0.000 0.652 148 G HN 0.510 nan 8.290 nan 0.000 0.531 149 S N -1.405 114.304 115.700 0.015 0.000 2.596 149 S HA 0.665 5.143 4.470 0.013 0.000 0.270 149 S C -0.596 174.010 174.600 0.010 0.000 1.155 149 S CA -0.039 58.170 58.200 0.015 0.000 0.827 149 S CB 2.290 65.502 63.200 0.021 0.000 1.130 149 S HN 0.822 nan 8.310 nan 0.000 0.467 150 E N 0.498 120.702 120.200 0.007 0.000 2.392 150 E HA 0.446 4.804 4.350 0.013 0.000 0.264 150 E C -1.084 175.519 176.600 0.006 0.000 1.024 150 E CA -0.555 55.844 56.400 -0.001 0.000 0.903 150 E CB 0.634 30.334 29.700 -0.001 0.000 0.963 150 E HN 0.498 nan 8.360 nan 0.000 0.432 151 V N 5.764 125.668 119.914 -0.018 0.000 2.495 151 V HA 0.306 4.433 4.120 0.013 0.000 0.298 151 V C -2.260 173.822 176.094 -0.020 0.000 1.031 151 V CA -2.097 60.196 62.300 -0.012 0.000 0.871 151 V CB 1.503 33.257 31.823 -0.115 0.000 0.988 151 V HN 0.778 nan 8.190 nan 0.000 0.432 152 P HA 0.060 nan 4.420 nan 0.000 0.264 152 P C 0.638 177.937 177.300 -0.003 0.000 1.229 152 P CA -0.072 63.043 63.100 0.025 0.000 0.780 152 P CB 0.596 32.337 31.700 0.067 0.000 0.808 153 L N 5.421 126.621 121.223 -0.038 0.000 2.043 153 L HA -0.186 4.162 4.340 0.013 0.000 0.212 153 L C 1.799 178.666 176.870 -0.004 0.000 1.075 153 L CA 1.889 56.692 54.840 -0.061 0.000 0.752 153 L CB -1.258 40.752 42.059 -0.083 0.000 0.891 153 L HN 0.289 nan 8.230 nan 0.000 0.432 154 L N -1.354 119.871 121.223 0.004 0.000 2.131 154 L HA -0.152 4.196 4.340 0.013 0.000 0.210 154 L C 2.430 179.389 176.870 0.148 0.000 1.092 154 L CA 1.865 56.734 54.840 0.049 0.000 0.759 154 L CB -0.731 41.322 42.059 -0.011 0.000 0.903 154 L HN 0.262 nan 8.230 nan 0.000 0.435 155 S N -1.234 114.545 115.700 0.133 0.000 2.383 155 S HA -0.130 4.348 4.470 0.013 0.000 0.227 155 S C 1.929 176.692 174.600 0.271 0.000 1.026 155 S CA 1.335 59.661 58.200 0.210 0.000 0.981 155 S CB -0.339 63.022 63.200 0.268 0.000 0.818 155 S HN 0.361 nan 8.310 nan 0.000 0.472 156 V N 1.233 121.229 119.914 0.137 0.000 2.358 156 V HA -0.132 3.996 4.120 0.013 0.000 0.246 156 V C 1.842 177.980 176.094 0.074 0.000 1.047 156 V CA 1.667 63.965 62.300 -0.002 0.000 1.035 156 V CB -0.753 30.928 31.823 -0.236 0.000 0.658 156 V HN 0.508 nan 8.190 nan 0.000 0.452 157 F N 1.443 121.375 119.950 -0.031 0.000 2.095 157 F HA -0.198 4.335 4.527 0.010 0.000 0.298 157 F C 2.620 178.428 175.800 0.013 0.000 1.104 157 F CA 1.854 59.841 58.000 -0.021 0.000 1.232 157 F CB -0.272 38.712 39.000 -0.027 0.000 0.987 157 F HN -0.057 nan 8.300 nan 0.000 0.475 158 R N -0.344 120.245 120.500 0.149 0.000 2.083 158 R HA -0.182 4.166 4.340 0.013 0.000 0.237 158 R C 2.632 178.908 176.300 -0.039 0.000 1.137 158 R CA 1.548 57.672 56.100 0.040 0.000 0.951 158 R CB -0.964 29.414 30.300 0.130 0.000 0.851 158 R HN 0.364 nan 8.270 nan 0.000 0.434 159 S N 0.911 116.637 115.700 0.044 0.000 2.359 159 S HA -0.146 4.332 4.470 0.013 0.000 0.224 159 S C 1.917 176.509 174.600 -0.014 0.000 1.035 159 S CA 1.194 59.429 58.200 0.059 0.000 1.018 159 S CB -0.191 63.143 63.200 0.224 0.000 0.876 159 S HN 0.232 nan 8.310 nan 0.000 0.448 160 L N 1.598 122.782 121.223 -0.065 0.000 2.046 160 L HA 0.036 4.383 4.340 0.013 0.000 0.208 160 L C 2.091 178.856 176.870 -0.176 0.000 1.077 160 L CA 1.610 56.384 54.840 -0.110 0.000 0.747 160 L CB -0.687 41.293 42.059 -0.130 0.000 0.896 160 L HN 0.324 nan 8.230 nan 0.000 0.432 161 I N -0.611 119.766 120.570 -0.322 0.000 2.226 161 I HA -0.261 3.917 4.170 0.013 0.000 0.245 161 I C 2.364 178.390 176.117 -0.152 0.000 1.100 161 I CA 1.573 62.683 61.300 -0.317 0.000 1.374 161 I CB -1.805 35.875 38.000 -0.534 0.000 1.057 161 I HN 0.291 nan 8.210 nan 0.000 0.413 162 T N 1.441 115.928 114.554 -0.112 0.000 2.708 162 T HA -0.132 4.225 4.350 0.013 0.000 0.266 162 T C 1.756 176.441 174.700 -0.025 0.000 1.037 162 T CA 1.371 63.442 62.100 -0.047 0.000 1.146 162 T CB -0.186 68.665 68.868 -0.027 0.000 0.865 162 T HN 0.285 nan 8.240 nan 0.000 0.435 163 N N 1.228 119.911 118.700 -0.028 0.000 2.084 163 N HA 0.036 4.784 4.740 0.013 0.000 0.190 163 N C 1.934 177.444 175.510 0.001 0.000 1.030 163 N CA 0.861 53.907 53.050 -0.007 0.000 0.849 163 N CB -0.530 37.955 38.487 -0.004 0.000 1.012 163 N HN 0.336 nan 8.380 nan 0.000 0.423 164 L N 0.662 121.870 121.223 -0.024 0.000 2.046 164 L HA -0.183 4.165 4.340 0.013 0.000 0.208 164 L C 2.065 178.960 176.870 0.042 0.000 1.077 164 L CA 1.219 56.051 54.840 -0.012 0.000 0.747 164 L CB -0.435 41.584 42.059 -0.067 0.000 0.896 164 L HN 0.098 nan 8.230 nan 0.000 0.432 165 D N -0.012 120.406 120.400 0.030 0.000 2.097 165 D HA -0.233 4.414 4.640 0.013 0.000 0.195 165 D C 2.338 178.705 176.300 0.113 0.000 0.989 165 D CA 1.196 55.246 54.000 0.084 0.000 0.827 165 D CB 0.075 40.903 40.800 0.046 0.000 0.966 165 D HN 0.048 nan 8.370 nan 0.000 0.456 166 R N -0.241 120.300 120.500 0.069 0.000 2.073 166 R HA -0.081 4.267 4.340 0.013 0.000 0.234 166 R C 2.445 178.796 176.300 0.084 0.000 1.134 166 R CA 1.023 57.161 56.100 0.063 0.000 0.952 166 R CB -0.342 29.981 30.300 0.039 0.000 0.850 166 R HN 0.257 nan 8.270 nan 0.000 0.433 167 L N -0.326 120.953 121.223 0.093 0.000 2.046 167 L HA -0.217 4.131 4.340 0.013 0.000 0.208 167 L C 2.458 179.441 176.870 0.188 0.000 1.077 167 L CA 1.361 56.269 54.840 0.114 0.000 0.747 167 L CB -0.618 41.491 42.059 0.084 0.000 0.896 167 L HN 0.272 nan 8.230 nan 0.000 0.432 168 Y N 0.087 120.425 120.300 0.063 0.000 2.163 168 Y HA -0.220 4.338 4.550 0.013 0.000 0.288 168 Y C 2.367 178.364 175.900 0.163 0.000 1.136 168 Y CA 1.279 59.444 58.100 0.109 0.000 1.147 168 Y CB -0.100 38.392 38.460 0.053 0.000 0.987 168 Y HN -0.055 nan 8.280 nan 0.000 0.509 169 L N 0.489 121.736 121.223 0.040 0.000 2.046 169 L HA -0.254 4.093 4.340 0.013 0.000 0.208 169 L C 2.096 178.932 176.870 -0.057 0.000 1.077 169 L CA 2.181 56.983 54.840 -0.063 0.000 0.747 169 L CB -1.560 40.510 42.059 0.017 0.000 0.896 169 L HN 0.360 nan 8.230 nan 0.000 0.432 170 N N -0.106 118.604 118.700 0.016 0.000 2.270 170 N HA -0.222 4.525 4.740 0.013 0.000 0.181 170 N C 1.776 177.299 175.510 0.020 0.000 1.016 170 N CA 0.769 53.828 53.050 0.015 0.000 0.870 170 N CB -0.204 38.309 38.487 0.043 0.000 0.979 170 N HN 0.190 nan 8.380 nan 0.000 0.431 171 F N 1.030 120.931 119.950 -0.083 0.000 2.134 171 F HA -0.039 4.496 4.527 0.014 0.000 0.299 171 F C 1.683 177.407 175.800 -0.127 0.000 1.097 171 F CA 1.205 59.161 58.000 -0.072 0.000 1.264 171 F CB -0.299 38.685 39.000 -0.025 0.000 1.001 171 F HN 0.048 nan 8.300 nan 0.000 0.479 172 L N 0.118 121.171 121.223 -0.284 0.000 2.083 172 L HA -0.227 4.121 4.340 0.013 0.000 0.209 172 L C 2.578 179.274 176.870 -0.290 0.000 1.083 172 L CA 1.850 56.474 54.840 -0.360 0.000 0.752 172 L CB -0.731 41.145 42.059 -0.306 0.000 0.899 172 L HN 0.164 nan 8.230 nan 0.000 0.433 173 K N -0.020 120.258 120.400 -0.203 0.000 2.044 173 K HA -0.005 4.323 4.320 0.013 0.000 0.204 173 K C 0.301 176.809 176.600 -0.153 0.000 1.045 173 K CA 0.784 56.983 56.287 -0.146 0.000 0.951 173 K CB 0.398 32.843 32.500 -0.091 0.000 0.738 173 K HN 0.234 nan 8.250 nan 0.000 0.443 174 N N 1.421 120.034 118.700 -0.145 0.000 2.904 174 N HA 0.163 4.910 4.740 0.013 0.000 0.257 174 N C -2.499 172.925 175.510 -0.143 0.000 1.363 174 N CA -1.226 51.753 53.050 -0.119 0.000 0.856 174 N CB 1.699 40.152 38.487 -0.055 0.000 1.166 174 N HN 0.046 nan 8.380 nan 0.000 0.499 175 P HA -0.045 nan 4.420 nan 0.000 0.223 175 P C 1.346 178.639 177.300 -0.012 0.000 1.144 175 P CA 1.035 63.918 63.100 -0.363 0.000 0.783 175 P CB 0.338 31.747 31.700 -0.485 0.000 0.771 176 M N -1.787 117.795 119.600 -0.029 0.000 2.476 176 M HA 0.010 4.498 4.480 0.013 0.000 0.262 176 M C 1.067 177.387 176.300 0.033 0.000 1.111 176 M CA 1.046 56.348 55.300 0.004 0.000 1.127 176 M CB -1.218 31.359 32.600 -0.039 0.000 1.376 176 M HN -0.096 nan 8.290 nan 0.000 0.465 177 D N 1.122 121.545 120.400 0.039 0.000 2.149 177 D HA -0.158 4.490 4.640 0.013 0.000 0.198 177 D C 1.856 178.193 176.300 0.062 0.000 0.990 177 D CA 0.967 54.993 54.000 0.042 0.000 0.839 177 D CB -0.244 40.581 40.800 0.041 0.000 0.948 177 D HN 0.251 nan 8.370 nan 0.000 0.460 178 I N 0.559 121.203 120.570 0.123 0.000 2.335 178 I HA -0.198 3.980 4.170 0.013 0.000 0.251 178 I C 1.948 178.076 176.117 0.018 0.000 1.129 178 I CA 0.972 62.338 61.300 0.110 0.000 1.402 178 I CB -0.160 37.962 38.000 0.204 0.000 1.069 178 I HN -0.001 nan 8.210 nan 0.000 0.424 179 L N 0.251 121.476 121.223 0.004 0.000 2.083 179 L HA -0.230 4.118 4.340 0.013 0.000 0.209 179 L C 2.232 179.053 176.870 -0.082 0.000 1.083 179 L CA 1.270 56.056 54.840 -0.092 0.000 0.752 179 L CB -0.986 41.047 42.059 -0.043 0.000 0.899 179 L HN 0.331 nan 8.230 nan 0.000 0.433 180 N N 0.262 118.942 118.700 -0.034 0.000 2.188 180 N HA -0.125 4.622 4.740 0.013 0.000 0.184 180 N C 1.964 177.457 175.510 -0.029 0.000 1.018 180 N CA 1.194 54.228 53.050 -0.027 0.000 0.858 180 N CB -0.217 38.263 38.487 -0.010 0.000 0.989 180 N HN 0.347 nan 8.380 nan 0.000 0.426 181 L N 0.549 121.759 121.223 -0.022 0.000 2.093 181 L HA -0.077 4.271 4.340 0.013 0.000 0.208 181 L C 2.278 179.128 176.870 -0.035 0.000 1.085 181 L CA 0.614 55.445 54.840 -0.015 0.000 0.755 181 L CB -0.430 41.632 42.059 0.005 0.000 0.904 181 L HN -0.053 nan 8.230 nan 0.000 0.435 182 V N -0.100 119.764 119.914 -0.083 0.000 2.295 182 V HA -0.256 3.871 4.120 0.013 0.000 0.246 182 V C 2.656 178.704 176.094 -0.076 0.000 1.049 182 V CA 1.648 63.874 62.300 -0.123 0.000 1.024 182 V CB -0.602 31.004 31.823 -0.360 0.000 0.648 182 V HN 0.411 nan 8.190 nan 0.000 0.447 183 R N 0.273 120.727 120.500 -0.076 0.000 2.096 183 R HA -0.187 4.161 4.340 0.013 0.000 0.240 183 R C 1.974 178.264 176.300 -0.017 0.000 1.139 183 R CA 1.877 57.954 56.100 -0.039 0.000 0.952 183 R CB -0.625 29.655 30.300 -0.034 0.000 0.854 183 R HN 0.561 nan 8.270 nan 0.000 0.436 184 D N 0.022 120.412 120.400 -0.017 0.000 2.310 184 D HA -0.075 4.573 4.640 0.013 0.000 0.212 184 D C 0.739 177.036 176.300 -0.004 0.000 0.965 184 D CA 0.887 54.883 54.000 -0.007 0.000 0.879 184 D CB -0.099 40.697 40.800 -0.006 0.000 0.921 184 D HN 0.252 nan 8.370 nan 0.000 0.510 185 N N 0.101 118.799 118.700 -0.004 0.000 2.238 185 N HA 0.103 4.851 4.740 0.013 0.000 0.235 185 N C 0.240 175.756 175.510 0.010 0.000 1.209 185 N CA -0.017 53.033 53.050 0.001 0.000 0.879 185 N CB 1.093 39.583 38.487 0.004 0.000 1.136 185 N HN 0.330 nan 8.380 nan 0.000 0.517 186 M N -0.973 118.638 119.600 0.020 0.000 2.598 186 M HA 0.545 5.033 4.480 0.013 0.000 0.317 186 M C -0.562 175.768 176.300 0.049 0.000 1.201 186 M CA -0.623 54.709 55.300 0.053 0.000 0.971 186 M CB 1.514 34.165 32.600 0.085 0.000 1.657 186 M HN -0.262 nan 8.290 nan 0.000 0.470 187 I N 3.400 124.017 120.570 0.079 0.000 2.436 187 I HA 0.275 4.453 4.170 0.013 0.000 0.289 187 I C -0.619 175.584 176.117 0.144 0.000 1.083 187 I CA -0.047 61.287 61.300 0.057 0.000 1.372 187 I CB 0.085 38.075 38.000 -0.015 0.000 1.408 187 I HN 0.614 nan 8.210 nan 0.000 0.516 188 L N 4.341 125.621 121.223 0.095 0.000 2.322 188 L HA 0.638 4.986 4.340 0.013 0.000 0.252 188 L C 0.956 177.878 176.870 0.087 0.000 1.055 188 L CA -0.799 54.100 54.840 0.098 0.000 0.849 188 L CB 1.800 43.892 42.059 0.055 0.000 1.446 188 L HN 0.734 nan 8.230 nan 0.000 0.416 189 G N 0.614 109.462 108.800 0.079 0.000 2.143 189 G HA2 -0.172 3.796 3.960 0.013 0.000 0.248 189 G HA3 -0.172 3.796 3.960 0.013 0.000 0.248 189 G C -0.303 174.647 174.900 0.083 0.000 0.991 189 G CA 0.292 45.432 45.100 0.066 0.000 0.689 189 G HN 0.756 nan 8.290 nan 0.000 0.522 190 V N -3.607 116.383 119.914 0.127 0.000 3.074 190 V HA 0.872 5.000 4.120 0.013 0.000 0.314 190 V C 0.424 176.622 176.094 0.173 0.000 1.117 190 V CA -1.240 61.147 62.300 0.145 0.000 1.014 190 V CB 1.752 33.682 31.823 0.178 0.000 1.057 190 V HN 0.527 nan 8.190 nan 0.000 0.438 191 R N 1.224 121.814 120.500 0.150 0.000 2.438 191 R HA 0.693 5.040 4.340 0.013 0.000 0.287 191 R C -0.578 175.825 176.300 0.171 0.000 1.077 191 R CA 0.071 56.248 56.100 0.130 0.000 1.034 191 R CB 1.235 31.587 30.300 0.087 0.000 0.993 191 R HN 1.189 nan 8.270 nan 0.000 0.459 192 V N 0.308 120.275 119.914 0.089 0.000 3.130 192 V HA 0.603 4.731 4.120 0.013 0.000 0.310 192 V C -1.237 174.814 176.094 -0.071 0.000 1.158 192 V CA -1.114 61.183 62.300 -0.005 0.000 1.029 192 V CB 1.959 33.718 31.823 -0.106 0.000 1.057 192 V HN 0.825 nan 8.190 nan 0.000 0.436 193 K N 2.313 122.633 120.400 -0.133 0.000 2.292 193 K HA 0.644 4.972 4.320 0.013 0.000 0.257 193 K C -1.493 174.940 176.600 -0.280 0.000 0.940 193 K CA -0.833 55.345 56.287 -0.181 0.000 0.811 193 K CB 1.698 34.134 32.500 -0.107 0.000 1.120 193 K HN 0.725 nan 8.250 nan 0.000 0.428 194 I N 6.145 126.410 120.570 -0.509 0.000 2.321 194 I HA 0.267 4.445 4.170 0.013 0.000 0.291 194 I C -0.267 175.632 176.117 -0.363 0.000 0.998 194 I CA -0.675 60.312 61.300 -0.521 0.000 1.227 194 I CB 0.965 38.380 38.000 -0.976 0.000 1.368 194 I HN 0.564 nan 8.210 nan 0.000 0.466 195 L N 6.205 127.329 121.223 -0.166 0.000 2.287 195 L HA 0.776 5.123 4.340 0.013 0.000 0.287 195 L C 0.681 177.536 176.870 -0.026 0.000 1.022 195 L CA -0.061 54.730 54.840 -0.082 0.000 0.814 195 L CB 1.681 43.711 42.059 -0.049 0.000 1.217 195 L HN 0.828 nan 8.230 nan 0.000 0.420 196 G N 1.750 110.550 108.800 0.000 0.000 3.046 196 G HA2 0.008 3.976 3.960 0.013 0.000 0.137 196 G HA3 0.008 3.976 3.960 0.013 0.000 0.137 196 G C -1.238 173.685 174.900 0.038 0.000 1.207 196 G CA -0.360 44.759 45.100 0.032 0.000 1.218 196 G HN 0.460 nan 8.290 nan 0.000 0.625 197 D N 1.043 121.475 120.400 0.054 0.000 2.498 197 D HA 0.483 5.130 4.640 0.013 0.000 0.229 197 D C 0.928 177.265 176.300 0.061 0.000 1.188 197 D CA 1.942 55.971 54.000 0.048 0.000 1.028 197 D CB -0.561 40.267 40.800 0.048 0.000 1.087 197 D HN 1.247 nan 8.370 nan 0.000 0.510 198 G N 1.687 110.516 108.800 0.049 0.000 2.482 198 G HA2 0.111 4.079 3.960 0.013 0.000 0.214 198 G HA3 0.111 4.079 3.960 0.013 0.000 0.214 198 G C -0.507 174.425 174.900 0.054 0.000 1.271 198 G CA -0.286 44.847 45.100 0.055 0.000 0.944 198 G HN 1.379 nan 8.290 nan 0.000 0.568 199 S N -1.313 114.436 115.700 0.082 0.000 2.578 199 S HA 0.891 5.369 4.470 0.013 0.000 0.272 199 S C -0.928 173.756 174.600 0.140 0.000 1.145 199 S CA 0.154 58.372 58.200 0.030 0.000 0.835 199 S CB 1.936 65.116 63.200 -0.034 0.000 1.104 199 S HN 2.420 nan 8.310 nan 0.000 0.458 200 F N -1.066 118.889 119.950 0.008 0.000 2.668 200 F HA 0.911 5.446 4.527 0.014 0.000 0.309 200 F C -1.108 174.694 175.800 0.003 0.000 1.117 200 F CA -0.921 57.082 58.000 0.005 0.000 0.951 200 F CB 1.013 40.014 39.000 0.001 0.000 1.323 200 F HN 0.721 nan 8.300 nan 0.000 0.451 201 E N 0.519 120.847 120.200 0.214 0.000 2.299 201 E HA 0.811 5.168 4.350 0.013 0.000 0.265 201 E C -0.547 176.169 176.600 0.193 0.000 0.911 201 E CA -1.401 55.061 56.400 0.104 0.000 0.789 201 E CB 2.579 32.313 29.700 0.058 0.000 1.246 201 E HN 1.138 nan 8.360 nan 0.000 0.427 202 G N 0.543 109.419 108.800 0.127 0.000 2.320 202 G HA2 0.268 4.235 3.960 0.013 0.000 0.296 202 G HA3 0.268 4.235 3.960 0.013 0.000 0.296 202 G C -1.581 173.371 174.900 0.087 0.000 1.306 202 G CA -0.892 44.280 45.100 0.120 0.000 0.836 202 G HN 0.275 nan 8.290 nan 0.000 0.517 203 I N 1.541 122.155 120.570 0.073 0.000 2.371 203 I HA 0.478 4.655 4.170 0.013 0.000 0.290 203 I C 1.113 177.263 176.117 0.055 0.000 1.028 203 I CA -0.614 60.727 61.300 0.067 0.000 1.345 203 I CB 0.911 38.943 38.000 0.053 0.000 1.407 203 I HN 0.704 nan 8.210 nan 0.000 0.501 204 A N 7.004 129.863 122.820 0.064 0.000 2.457 204 A HA 0.213 4.541 4.320 0.013 0.000 0.298 204 A C 1.131 178.731 177.584 0.027 0.000 1.288 204 A CA -0.278 51.777 52.037 0.030 0.000 0.956 204 A CB -0.070 18.969 19.000 0.065 0.000 1.135 204 A HN 0.729 nan 8.150 nan 0.000 0.535 205 E N 1.164 121.364 120.200 0.000 0.000 2.086 205 E HA 0.048 4.406 4.350 0.013 0.000 0.190 205 E C 0.084 176.680 176.600 -0.007 0.000 0.975 205 E CA 1.064 57.466 56.400 0.003 0.000 0.813 205 E CB 0.208 29.908 29.700 -0.000 0.000 0.768 205 E HN 0.877 nan 8.360 nan 0.000 0.457 206 D N -1.453 118.927 120.400 -0.033 0.000 2.827 206 D HA 0.184 4.831 4.640 0.013 0.000 0.336 206 D C -1.574 174.684 176.300 -0.069 0.000 1.374 206 D CA -0.578 53.402 54.000 -0.034 0.000 0.794 206 D CB 0.483 41.275 40.800 -0.014 0.000 1.364 206 D HN -0.033 nan 8.370 nan 0.000 0.464 207 I N -0.772 119.770 120.570 -0.046 0.000 2.530 207 I HA 0.701 4.879 4.170 0.013 0.000 0.297 207 I C -0.344 175.785 176.117 0.021 0.000 1.011 207 I CA -0.850 60.432 61.300 -0.031 0.000 1.107 207 I CB 1.769 39.764 38.000 -0.008 0.000 1.285 207 I HN 0.330 nan 8.210 nan 0.000 0.436 208 D N 3.179 123.625 120.400 0.077 0.000 2.507 208 D HA 0.065 4.713 4.640 0.013 0.000 0.280 208 D C 0.629 177.011 176.300 0.136 0.000 1.219 208 D CA -0.242 53.825 54.000 0.110 0.000 1.085 208 D CB 0.223 41.111 40.800 0.146 0.000 1.134 208 D HN 0.718 nan 8.370 nan 0.000 0.583 209 D N -1.257 119.235 120.400 0.153 0.000 2.371 209 D HA -0.127 4.521 4.640 0.013 0.000 0.221 209 D C 0.877 177.133 176.300 -0.072 0.000 0.986 209 D CA 0.377 54.402 54.000 0.042 0.000 0.899 209 D CB -0.445 40.358 40.800 0.004 0.000 0.902 209 D HN 0.290 nan 8.370 nan 0.000 0.530 210 F N -0.066 119.964 119.950 0.133 0.000 2.678 210 F HA 0.355 4.890 4.527 0.012 0.000 0.305 210 F C 1.955 177.935 175.800 0.300 0.000 1.090 210 F CA 0.207 58.319 58.000 0.188 0.000 1.272 210 F CB 0.931 40.026 39.000 0.157 0.000 1.060 210 F HN 0.148 nan 8.300 nan 0.000 0.576 211 G N 1.046 110.091 108.800 0.409 0.000 2.159 211 G HA2 -0.295 3.673 3.960 0.013 0.000 0.256 211 G HA3 -0.295 3.673 3.960 0.013 0.000 0.256 211 G C 0.438 175.737 174.900 0.664 0.000 0.977 211 G CA -0.455 44.958 45.100 0.521 0.000 0.652 211 G HN 0.295 nan 8.290 nan 0.000 0.531 212 R N -0.508 120.270 120.500 0.464 0.000 2.490 212 R HA 0.475 4.822 4.340 0.013 0.000 0.280 212 R C 0.271 176.584 176.300 0.021 0.000 1.077 212 R CA -0.688 55.621 56.100 0.347 0.000 1.065 212 R CB 0.903 31.339 30.300 0.228 0.000 1.003 212 R HN 0.209 nan 8.270 nan 0.000 0.470 213 L N 4.411 125.378 121.223 -0.426 0.000 2.319 213 L HA 0.203 4.551 4.340 0.013 0.000 0.280 213 L C -0.571 176.106 176.870 -0.322 0.000 1.099 213 L CA 0.144 54.540 54.840 -0.741 0.000 0.828 213 L CB 0.635 41.738 42.059 -1.593 0.000 1.150 213 L HN 0.428 nan 8.230 nan 0.000 0.442 214 I N 6.829 127.283 120.570 -0.194 0.000 2.304 214 I HA 0.281 4.459 4.170 0.013 0.000 0.291 214 I C -0.115 175.965 176.117 -0.062 0.000 1.018 214 I CA -0.331 60.916 61.300 -0.087 0.000 1.260 214 I CB 0.845 38.818 38.000 -0.046 0.000 1.390 214 I HN 0.396 nan 8.210 nan 0.000 0.475 215 I N 6.473 127.034 120.570 -0.014 0.000 2.433 215 I HA 0.380 4.558 4.170 0.013 0.000 0.292 215 I C 0.346 176.483 176.117 0.033 0.000 1.001 215 I CA -0.703 60.624 61.300 0.045 0.000 1.119 215 I CB 1.787 39.904 38.000 0.195 0.000 1.289 215 I HN 0.521 nan 8.210 nan 0.000 0.438 216 R N 5.860 126.381 120.500 0.036 0.000 2.246 216 R HA 0.532 4.879 4.340 0.013 0.000 0.332 216 R C -1.165 175.157 176.300 0.037 0.000 0.974 216 R CA -0.684 55.428 56.100 0.020 0.000 0.837 216 R CB 0.831 31.140 30.300 0.016 0.000 1.145 216 R HN 0.378 nan 8.270 nan 0.000 0.467 217 L N 3.146 124.381 121.223 0.020 0.000 2.453 217 L HA 0.094 4.441 4.340 0.013 0.000 0.261 217 L C 1.344 178.228 176.870 0.024 0.000 1.179 217 L CA 0.292 55.153 54.840 0.036 0.000 0.813 217 L CB 0.824 42.883 42.059 -0.000 0.000 1.110 217 L HN 0.640 nan 8.230 nan 0.000 0.466 218 D N -0.333 120.086 120.400 0.032 0.000 2.182 218 D HA -0.166 4.482 4.640 0.013 0.000 0.201 218 D C 1.955 178.262 176.300 0.011 0.000 0.986 218 D CA 1.672 55.686 54.000 0.023 0.000 0.847 218 D CB 0.030 40.846 40.800 0.027 0.000 0.942 218 D HN 0.696 nan 8.370 nan 0.000 0.467 219 S N -1.019 114.683 115.700 0.005 0.000 2.515 219 S HA 0.114 4.592 4.470 0.013 0.000 0.231 219 S C 1.824 176.419 174.600 -0.008 0.000 0.987 219 S CA 1.132 59.329 58.200 -0.004 0.000 0.936 219 S CB 0.254 63.447 63.200 -0.012 0.000 0.766 219 S HN 0.361 nan 8.310 nan 0.000 0.528 220 G N 0.910 109.705 108.800 -0.008 0.000 2.232 220 G HA2 -0.282 3.685 3.960 0.013 0.000 0.226 220 G HA3 -0.282 3.685 3.960 0.013 0.000 0.226 220 G C -0.113 174.774 174.900 -0.023 0.000 0.996 220 G CA 0.102 45.196 45.100 -0.011 0.000 0.626 220 G HN 0.785 nan 8.290 nan 0.000 0.509 221 E N 0.729 120.908 120.200 -0.035 0.000 2.452 221 E HA 0.360 4.718 4.350 0.013 0.000 0.261 221 E C -0.118 176.442 176.600 -0.066 0.000 0.987 221 E CA -0.053 56.312 56.400 -0.058 0.000 0.926 221 E CB 0.636 30.286 29.700 -0.084 0.000 0.934 221 E HN 0.210 nan 8.360 nan 0.000 0.452 222 V N 5.324 125.198 119.914 -0.068 0.000 2.417 222 V HA 0.325 4.453 4.120 0.013 0.000 0.291 222 V C -0.099 175.936 176.094 -0.098 0.000 1.024 222 V CA -0.558 61.703 62.300 -0.064 0.000 0.861 222 V CB 1.546 33.346 31.823 -0.039 0.000 0.985 222 V HN 0.652 nan 8.190 nan 0.000 0.436 223 K N 3.722 124.053 120.400 -0.114 0.000 2.259 223 K HA 0.634 4.962 4.320 0.013 0.000 0.249 223 K C -0.965 175.602 176.600 -0.054 0.000 0.942 223 K CA -0.928 55.271 56.287 -0.146 0.000 0.816 223 K CB 2.513 34.795 32.500 -0.364 0.000 1.155 223 K HN 0.523 nan 8.250 nan 0.000 0.428 224 K N 1.899 122.280 120.400 -0.033 0.000 2.339 224 K HA 0.325 4.653 4.320 0.013 0.000 0.264 224 K C -0.858 175.769 176.600 0.045 0.000 0.986 224 K CA -0.726 55.560 56.287 -0.002 0.000 0.866 224 K CB 1.794 34.294 32.500 -0.000 0.000 1.103 224 K HN 0.191 nan 8.250 nan 0.000 0.441 225 V N 5.083 125.018 119.914 0.035 0.000 2.407 225 V HA 0.344 4.472 4.120 0.013 0.000 0.278 225 V C 0.166 176.436 176.094 0.293 0.000 1.037 225 V CA -0.743 61.633 62.300 0.127 0.000 0.900 225 V CB 0.899 32.737 31.823 0.025 0.000 0.983 225 V HN 0.650 nan 8.190 nan 0.000 0.459 226 I N 5.654 126.424 120.570 0.333 0.000 2.331 226 I HA 0.354 4.532 4.170 0.013 0.000 0.292 226 I C -0.030 176.341 176.117 0.424 0.000 0.998 226 I CA -0.728 60.793 61.300 0.368 0.000 1.267 226 I CB 1.087 39.176 38.000 0.149 0.000 1.386 226 I HN 0.741 nan 8.210 nan 0.000 0.476 227 Y N 4.526 125.027 120.300 0.335 0.000 2.299 227 Y HA 0.739 5.297 4.550 0.015 0.000 0.335 227 Y C 0.911 176.800 175.900 -0.018 0.000 1.287 227 Y CA -0.114 58.002 58.100 0.028 0.000 1.424 227 Y CB 0.859 39.019 38.460 -0.501 0.000 1.326 227 Y HN 0.751 nan 8.280 nan 0.000 0.567 228 G N 1.438 110.203 108.800 -0.058 0.000 3.898 228 G HA2 -0.206 3.761 3.960 0.013 0.000 0.196 228 G HA3 -0.206 3.761 3.960 0.013 0.000 0.196 228 G C -0.142 174.736 174.900 -0.036 0.000 1.322 228 G CA 0.175 45.187 45.100 -0.146 0.000 0.942 228 G HN 0.728 nan 8.290 nan 0.000 0.400 229 D N 0.612 121.012 120.400 -0.000 0.000 2.740 229 D HA 0.469 5.117 4.640 0.013 0.000 0.301 229 D C 0.194 176.519 176.300 0.042 0.000 1.408 229 D CA 0.497 54.505 54.000 0.013 0.000 0.808 229 D CB 0.997 41.799 40.800 0.004 0.000 1.128 229 D HN 0.878 nan 8.370 nan 0.000 0.465 230 V N -1.928 118.028 119.914 0.069 0.000 3.078 230 V HA 0.906 5.034 4.120 0.013 0.000 0.311 230 V C -0.411 175.728 176.094 0.075 0.000 1.138 230 V CA -0.835 61.515 62.300 0.084 0.000 1.007 230 V CB 1.683 33.596 31.823 0.150 0.000 1.045 230 V HN 0.124 nan 8.190 nan 0.000 0.432 231 S N 2.334 118.063 115.700 0.048 0.000 2.548 231 S HA 0.833 5.311 4.470 0.013 0.000 0.286 231 S C -0.991 173.614 174.600 0.008 0.000 1.098 231 S CA -0.719 57.498 58.200 0.030 0.000 0.930 231 S CB 1.847 65.052 63.200 0.009 0.000 1.070 231 S HN 1.380 nan 8.310 nan 0.000 0.480 232 L N 2.034 123.256 121.223 -0.001 0.000 2.329 232 L HA 0.729 5.077 4.340 0.013 0.000 0.279 232 L C -0.793 175.975 176.870 -0.171 0.000 1.014 232 L CA -0.674 54.114 54.840 -0.087 0.000 0.814 232 L CB 1.218 43.251 42.059 -0.043 0.000 1.257 232 L HN 0.726 nan 8.230 nan 0.000 0.424 233 R N 4.319 124.688 120.500 -0.219 0.000 2.532 233 R HA 0.382 4.730 4.340 0.013 0.000 0.297 233 R C -1.509 174.683 176.300 -0.181 0.000 0.984 233 R CA -0.614 55.392 56.100 -0.158 0.000 0.884 233 R CB 1.815 32.080 30.300 -0.059 0.000 1.182 233 R HN 0.436 nan 8.270 nan 0.000 0.442 234 F N 2.711 122.710 119.950 0.082 0.000 2.399 234 F HA 0.320 4.857 4.527 0.016 0.000 0.342 234 F C 1.189 176.998 175.800 0.015 0.000 1.106 234 F CA -0.118 57.927 58.000 0.076 0.000 1.196 234 F CB 0.574 39.663 39.000 0.148 0.000 1.163 234 F HN 0.156 nan 8.300 nan 0.000 0.547 235 L N 0.000 121.341 121.223 0.197 0.000 2.949 235 L HA 0.000 4.348 4.340 0.013 0.000 0.249 235 L CA 0.000 54.892 54.840 0.087 0.000 0.813 235 L CB 0.000 42.096 42.059 0.061 0.000 0.961 235 L HN 0.000 nan 8.230 nan 0.000 0.502