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 2dti_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLGLKTSIIG RRVIYFQEIT STNEFAKTSY LEEGTVIVAD KQTMGHGRLN DATA SEQUENCE RKWESPEGGL WLSIVLSPKV PQKDLPKIVF LGAVGVVETL KEFSIDGRIK DATA SEQUENCE WPNDVLVNYK KIAGVLVEGK 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 0.000 176.294 176.300 -0.011 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.023 0.000 1.302 2 L N 1.608 122.829 121.223 -0.004 0.000 2.240 2 L HA 0.405 4.755 4.340 0.016 0.000 0.211 2 L C 1.511 178.399 176.870 0.030 0.000 1.106 2 L CA 1.155 56.000 54.840 0.007 0.000 0.793 2 L CB -0.454 41.617 42.059 0.020 0.000 0.927 2 L HN 0.876 nan 8.230 nan 0.000 0.446 3 G N 1.052 109.869 108.800 0.028 0.000 2.225 3 G HA2 -0.281 3.688 3.960 0.016 0.000 0.267 3 G HA3 -0.281 3.688 3.960 0.016 0.000 0.267 3 G C 0.316 175.242 174.900 0.043 0.000 1.024 3 G CA -0.118 45.001 45.100 0.031 0.000 0.784 3 G HN 0.230 nan 8.290 nan 0.000 0.507 4 L N -0.657 120.602 121.223 0.059 0.000 2.514 4 L HA 0.195 4.545 4.340 0.016 0.000 0.280 4 L C 1.183 178.081 176.870 0.047 0.000 1.223 4 L CA 0.442 55.322 54.840 0.067 0.000 0.864 4 L CB 0.426 42.540 42.059 0.091 0.000 1.118 4 L HN 0.005 nan 8.230 nan 0.000 0.494 5 K N 1.492 121.916 120.400 0.040 0.000 2.646 5 K HA 0.161 4.491 4.320 0.016 0.000 0.206 5 K C 0.192 176.811 176.600 0.031 0.000 1.069 5 K CA -0.072 56.235 56.287 0.032 0.000 1.067 5 K CB 0.690 33.205 32.500 0.026 0.000 0.807 5 K HN 0.744 nan 8.250 nan 0.000 0.482 6 T N -2.400 112.174 114.554 0.034 0.000 2.899 6 T HA 0.253 4.612 4.350 0.016 0.000 0.284 6 T C 1.396 176.123 174.700 0.044 0.000 1.004 6 T CA -0.424 61.697 62.100 0.035 0.000 1.043 6 T CB 1.665 70.549 68.868 0.027 0.000 1.013 6 T HN -0.110 nan 8.240 nan 0.000 0.518 7 S N 0.660 116.391 115.700 0.053 0.000 2.348 7 S HA 0.103 4.583 4.470 0.016 0.000 0.219 7 S C 1.584 176.227 174.600 0.073 0.000 1.033 7 S CA 0.602 58.838 58.200 0.060 0.000 0.974 7 S CB -0.375 62.864 63.200 0.065 0.000 0.868 7 S HN 0.707 nan 8.310 nan 0.000 0.459 8 I N -0.216 120.410 120.570 0.092 0.000 3.632 8 I HA 0.326 4.505 4.170 0.016 0.000 0.246 8 I C 0.529 176.678 176.117 0.053 0.000 1.125 8 I CA -0.192 61.166 61.300 0.097 0.000 1.519 8 I CB 0.226 38.333 38.000 0.179 0.000 1.555 8 I HN 0.143 nan 8.210 nan 0.000 0.452 9 I N 2.614 123.200 120.570 0.027 0.000 2.578 9 I HA 0.192 4.371 4.170 0.016 0.000 0.286 9 I C 0.826 176.942 176.117 -0.001 0.000 1.126 9 I CA 0.940 62.224 61.300 -0.028 0.000 1.380 9 I CB -0.016 37.933 38.000 -0.084 0.000 1.408 9 I HN 0.577 nan 8.210 nan 0.000 0.532 10 G N 5.896 114.713 108.800 0.028 0.000 2.168 10 G HA2 -0.261 3.709 3.960 0.016 0.000 0.197 10 G HA3 -0.261 3.709 3.960 0.016 0.000 0.197 10 G C 1.047 175.993 174.900 0.077 0.000 0.997 10 G CA 0.266 45.407 45.100 0.069 0.000 0.658 10 G HN 0.722 nan 8.290 nan 0.000 0.513 11 R N -0.152 120.385 120.500 0.063 0.000 2.127 11 R HA 0.050 4.399 4.340 0.016 0.000 0.238 11 R C 1.076 177.417 176.300 0.068 0.000 1.134 11 R CA 1.287 57.424 56.100 0.062 0.000 0.975 11 R CB 0.004 30.338 30.300 0.057 0.000 0.865 11 R HN 0.466 nan 8.270 nan 0.000 0.447 12 R N -0.900 119.648 120.500 0.080 0.000 2.771 12 R HA 0.447 4.797 4.340 0.016 0.000 0.274 12 R C -1.650 174.721 176.300 0.118 0.000 0.987 12 R CA -0.846 55.308 56.100 0.090 0.000 0.908 12 R CB 2.906 33.258 30.300 0.087 0.000 1.213 12 R HN -0.129 nan 8.270 nan 0.000 0.468 13 V N 3.386 123.371 119.914 0.118 0.000 2.623 13 V HA 0.451 4.581 4.120 0.016 0.000 0.304 13 V C -0.480 175.684 176.094 0.117 0.000 1.054 13 V CA -0.685 61.703 62.300 0.146 0.000 0.882 13 V CB 2.179 34.099 31.823 0.162 0.000 1.002 13 V HN 0.610 nan 8.190 nan 0.000 0.424 14 I N 5.127 125.789 120.570 0.153 0.000 2.330 14 I HA 0.355 4.534 4.170 0.016 0.000 0.286 14 I C -0.820 175.376 176.117 0.132 0.000 1.025 14 I CA -0.600 60.759 61.300 0.099 0.000 1.197 14 I CB 0.893 39.001 38.000 0.179 0.000 1.358 14 I HN 0.688 nan 8.210 nan 0.000 0.467 15 Y N 7.855 128.083 120.300 -0.120 0.000 2.308 15 Y HA 0.553 5.112 4.550 0.015 0.000 0.329 15 Y C -1.463 174.277 175.900 -0.266 0.000 1.111 15 Y CA -0.717 57.335 58.100 -0.081 0.000 1.179 15 Y CB 0.849 39.229 38.460 -0.134 0.000 1.201 15 Y HN 0.291 nan 8.280 nan 0.000 0.483 16 F N 4.646 123.940 119.950 -1.094 0.000 2.507 16 F HA 0.339 4.875 4.527 0.015 0.000 0.325 16 F C 1.112 176.248 175.800 -1.107 0.000 1.116 16 F CA -0.597 56.844 58.000 -0.931 0.000 0.930 16 F CB 2.194 40.896 39.000 -0.496 0.000 1.146 16 F HN 0.607 nan 8.300 nan 0.000 0.447 17 Q N 1.220 120.658 119.800 -0.603 0.000 2.135 17 Q HA -0.135 4.214 4.340 0.016 0.000 0.204 17 Q C -0.107 175.869 176.000 -0.040 0.000 0.981 17 Q CA 1.568 57.261 55.803 -0.183 0.000 0.856 17 Q CB 0.217 28.926 28.738 -0.048 0.000 0.902 17 Q HN 0.782 nan 8.270 nan 0.000 0.425 18 E N -1.285 118.896 120.200 -0.031 0.000 2.390 18 E HA 0.611 4.971 4.350 0.016 0.000 0.280 18 E C -1.461 175.122 176.600 -0.029 0.000 0.992 18 E CA -0.630 55.767 56.400 -0.005 0.000 0.790 18 E CB 1.463 31.163 29.700 -0.000 0.000 1.248 18 E HN 0.068 nan 8.360 nan 0.000 0.447 19 I N 0.906 121.410 120.570 -0.110 0.000 3.195 19 I HA 0.316 4.495 4.170 0.016 0.000 0.313 19 I C 0.902 176.911 176.117 -0.180 0.000 1.237 19 I CA -0.417 60.750 61.300 -0.221 0.000 0.963 19 I CB 2.406 40.084 38.000 -0.536 0.000 1.278 19 I HN 0.954 nan 8.210 nan 0.000 0.460 20 T N 0.449 114.900 114.554 -0.172 0.000 2.668 20 T HA 0.010 4.369 4.350 0.016 0.000 0.262 20 T C 0.675 175.241 174.700 -0.222 0.000 1.045 20 T CA 1.007 63.013 62.100 -0.158 0.000 1.152 20 T CB -0.205 68.599 68.868 -0.107 0.000 0.864 20 T HN 0.480 nan 8.240 nan 0.000 0.419 21 S N -0.122 115.452 115.700 -0.212 0.000 2.562 21 S HA 0.445 4.925 4.470 0.016 0.000 0.274 21 S C 0.827 175.332 174.600 -0.159 0.000 1.160 21 S CA -0.035 58.036 58.200 -0.214 0.000 0.933 21 S CB 1.556 64.609 63.200 -0.245 0.000 1.100 21 S HN 0.568 nan 8.310 nan 0.000 0.468 22 T N 2.780 117.245 114.554 -0.147 0.000 2.821 22 T HA -0.059 4.300 4.350 0.016 0.000 0.267 22 T C 1.444 176.137 174.700 -0.011 0.000 1.046 22 T CA 1.452 63.487 62.100 -0.109 0.000 1.139 22 T CB -0.586 68.243 68.868 -0.065 0.000 0.871 22 T HN 0.517 nan 8.240 nan 0.000 0.454 23 N N 1.404 120.083 118.700 -0.035 0.000 2.084 23 N HA -0.069 4.680 4.740 0.016 0.000 0.190 23 N C 2.045 177.551 175.510 -0.007 0.000 1.030 23 N CA 1.310 54.347 53.050 -0.022 0.000 0.849 23 N CB -0.305 38.159 38.487 -0.039 0.000 1.012 23 N HN 0.397 nan 8.380 nan 0.000 0.423 24 E N -0.150 120.048 120.200 -0.003 0.000 2.085 24 E HA -0.174 4.185 4.350 0.016 0.000 0.194 24 E C 1.811 178.404 176.600 -0.012 0.000 0.994 24 E CA 0.619 57.017 56.400 -0.003 0.000 0.801 24 E CB -0.475 29.230 29.700 0.007 0.000 0.743 24 E HN 0.415 nan 8.360 nan 0.000 0.453 25 F N 1.242 121.110 119.950 -0.137 0.000 2.146 25 F HA -0.118 4.418 4.527 0.016 0.000 0.298 25 F C 2.244 177.986 175.800 -0.097 0.000 1.096 25 F CA 1.462 59.376 58.000 -0.142 0.000 1.275 25 F CB -0.191 38.663 39.000 -0.245 0.000 1.008 25 F HN -0.013 nan 8.300 nan 0.000 0.480 26 A N 0.210 123.065 122.820 0.059 0.000 1.898 26 A HA -0.157 4.172 4.320 0.016 0.000 0.216 26 A C 2.244 179.760 177.584 -0.114 0.000 1.181 26 A CA 1.654 53.688 52.037 -0.006 0.000 0.620 26 A CB -0.610 18.424 19.000 0.056 0.000 0.819 26 A HN 0.425 nan 8.150 nan 0.000 0.442 27 K N -0.886 119.452 120.400 -0.103 0.000 2.026 27 K HA -0.091 4.238 4.320 0.016 0.000 0.208 27 K C 2.160 178.648 176.600 -0.187 0.000 1.048 27 K CA 1.815 58.033 56.287 -0.114 0.000 0.929 27 K CB -0.396 32.056 32.500 -0.081 0.000 0.713 27 K HN 0.469 nan 8.250 nan 0.000 0.439 28 T N 1.120 115.532 114.554 -0.238 0.000 2.701 28 T HA -0.048 4.311 4.350 0.016 0.000 0.263 28 T C 1.044 175.458 174.700 -0.475 0.000 1.040 28 T CA 0.767 62.680 62.100 -0.312 0.000 1.147 28 T CB -0.047 68.656 68.868 -0.275 0.000 0.865 28 T HN 0.099 nan 8.240 nan 0.000 0.426 29 S N 0.684 116.038 115.700 -0.577 0.000 2.585 29 S HA 0.253 4.733 4.470 0.016 0.000 0.273 29 S C -0.713 173.630 174.600 -0.428 0.000 1.339 29 S CA -0.511 57.328 58.200 -0.603 0.000 1.028 29 S CB 0.081 62.754 63.200 -0.879 0.000 0.906 29 S HN 0.275 nan 8.310 nan 0.000 0.528 30 Y N 2.122 122.342 120.300 -0.133 0.000 2.539 30 Y HA 0.410 4.969 4.550 0.016 0.000 0.352 30 Y C 0.198 176.076 175.900 -0.036 0.000 1.004 30 Y CA -0.250 57.811 58.100 -0.065 0.000 1.278 30 Y CB -0.412 38.025 38.460 -0.039 0.000 1.136 30 Y HN 0.334 nan 8.280 nan 0.000 0.528 31 L N 2.417 123.701 121.223 0.100 0.000 2.333 31 L HA 0.544 4.894 4.340 0.016 0.000 0.263 31 L C -0.143 176.779 176.870 0.086 0.000 1.014 31 L CA -1.184 53.711 54.840 0.092 0.000 0.820 31 L CB 2.404 44.508 42.059 0.076 0.000 1.352 31 L HN 0.399 nan 8.230 nan 0.000 0.421 32 E N 0.258 120.506 120.200 0.081 0.000 2.280 32 E HA 0.172 4.532 4.350 0.016 0.000 0.264 32 E C -0.700 175.934 176.600 0.056 0.000 1.064 32 E CA -0.632 55.808 56.400 0.067 0.000 0.900 32 E CB 1.142 30.880 29.700 0.063 0.000 1.123 32 E HN 0.433 nan 8.360 nan 0.000 0.418 33 E N -0.044 120.187 120.200 0.053 0.000 2.414 33 E HA 0.028 4.388 4.350 0.016 0.000 0.263 33 E C 0.446 177.064 176.600 0.031 0.000 1.000 33 E CA 0.926 57.351 56.400 0.041 0.000 0.914 33 E CB 0.169 29.910 29.700 0.069 0.000 0.948 33 E HN 0.708 nan 8.360 nan 0.000 0.444 34 G N 3.281 112.073 108.800 -0.013 0.000 2.217 34 G HA2 -0.258 3.711 3.960 0.016 0.000 0.246 34 G HA3 -0.258 3.711 3.960 0.016 0.000 0.246 34 G C 0.418 175.329 174.900 0.018 0.000 0.990 34 G CA 0.249 45.340 45.100 -0.014 0.000 0.627 34 G HN 0.621 nan 8.290 nan 0.000 0.522 35 T N 1.307 115.887 114.554 0.044 0.000 2.888 35 T HA 0.439 4.799 4.350 0.016 0.000 0.301 35 T C 0.408 175.163 174.700 0.091 0.000 1.001 35 T CA 0.407 62.557 62.100 0.084 0.000 1.147 35 T CB 1.879 70.813 68.868 0.110 0.000 0.931 35 T HN 0.531 nan 8.240 nan 0.000 0.541 36 V N 5.497 125.488 119.914 0.129 0.000 2.417 36 V HA 0.393 4.522 4.120 0.016 0.000 0.291 36 V C -0.141 176.072 176.094 0.198 0.000 1.024 36 V CA -0.928 61.464 62.300 0.153 0.000 0.861 36 V CB 1.508 33.452 31.823 0.201 0.000 0.985 36 V HN 0.682 nan 8.190 nan 0.000 0.436 37 I N 5.680 126.359 120.570 0.182 0.000 2.328 37 I HA 0.486 4.665 4.170 0.016 0.000 0.287 37 I C -0.111 176.102 176.117 0.161 0.000 1.012 37 I CA -0.283 61.126 61.300 0.182 0.000 1.195 37 I CB 1.306 39.395 38.000 0.148 0.000 1.350 37 I HN 0.371 nan 8.210 nan 0.000 0.464 38 V N 6.052 126.095 119.914 0.214 0.000 2.914 38 V HA 0.957 5.087 4.120 0.016 0.000 0.314 38 V C -0.767 175.462 176.094 0.225 0.000 1.084 38 V CA -0.352 62.079 62.300 0.218 0.000 0.963 38 V CB 2.137 34.096 31.823 0.227 0.000 1.025 38 V HN 0.894 nan 8.190 nan 0.000 0.432 39 A N 3.488 126.433 122.820 0.207 0.000 2.520 39 A HA 0.583 4.913 4.320 0.016 0.000 0.298 39 A C 0.151 177.900 177.584 0.276 0.000 1.051 39 A CA -0.386 51.752 52.037 0.169 0.000 0.690 39 A CB 1.522 20.544 19.000 0.037 0.000 1.281 39 A HN 0.783 nan 8.150 nan 0.000 0.402 40 D N 0.801 121.350 120.400 0.248 0.000 2.104 40 D HA -0.078 4.571 4.640 0.016 0.000 0.194 40 D C 0.491 177.010 176.300 0.365 0.000 0.994 40 D CA 2.148 56.306 54.000 0.263 0.000 0.830 40 D CB 0.112 41.044 40.800 0.221 0.000 0.959 40 D HN 0.726 nan 8.370 nan 0.000 0.452 41 K N -0.627 119.937 120.400 0.273 0.000 2.527 41 K HA 0.527 4.856 4.320 0.016 0.000 0.260 41 K C -1.060 175.560 176.600 0.033 0.000 0.937 41 K CA -0.822 55.594 56.287 0.216 0.000 0.826 41 K CB 1.997 34.577 32.500 0.134 0.000 1.359 41 K HN -0.270 nan 8.250 nan 0.000 0.434 42 Q N 0.843 120.568 119.800 -0.124 0.000 2.312 42 Q HA 0.212 4.562 4.340 0.016 0.000 0.263 42 Q C 0.249 176.145 176.000 -0.173 0.000 0.995 42 Q CA -0.535 55.160 55.803 -0.180 0.000 0.853 42 Q CB 2.122 30.703 28.738 -0.263 0.000 1.300 42 Q HN 0.891 nan 8.270 nan 0.000 0.448 43 T N -0.774 113.694 114.554 -0.144 0.000 3.035 43 T HA 0.120 4.479 4.350 0.016 0.000 0.259 43 T C 0.985 175.601 174.700 -0.140 0.000 1.078 43 T CA 0.571 62.601 62.100 -0.117 0.000 1.132 43 T CB 0.221 69.039 68.868 -0.083 0.000 0.900 43 T HN 0.520 nan 8.240 nan 0.000 0.480 44 M N 1.956 121.432 119.600 -0.207 0.000 3.004 44 M HA 0.395 4.884 4.480 0.016 0.000 0.365 44 M C 0.610 176.566 176.300 -0.573 0.000 1.317 44 M CA -0.750 54.372 55.300 -0.298 0.000 0.821 44 M CB 1.083 33.526 32.600 -0.262 0.000 1.387 44 M HN 0.270 nan 8.290 nan 0.000 0.501 45 G N 0.526 109.124 108.800 -0.337 0.000 2.265 45 G HA2 0.087 4.057 3.960 0.016 0.000 0.240 45 G HA3 0.087 4.057 3.960 0.016 0.000 0.240 45 G C -0.891 173.932 174.900 -0.129 0.000 1.270 45 G CA 0.256 45.211 45.100 -0.242 0.000 0.901 45 G HN 0.622 nan 8.290 nan 0.000 0.507 46 H N 0.432 119.504 119.070 0.004 0.000 2.622 46 H HA 0.597 5.162 4.556 0.015 0.000 0.363 46 H C 0.741 176.055 175.328 -0.023 0.000 1.151 46 H CA -0.514 55.535 56.048 0.002 0.000 1.184 46 H CB 2.142 31.880 29.762 -0.039 0.000 1.643 46 H HN 0.729 nan 8.280 nan 0.000 0.531 47 G N 0.783 109.674 108.800 0.152 0.000 3.122 47 G HA2 0.381 4.350 3.960 0.016 0.000 0.180 47 G HA3 0.381 4.350 3.960 0.016 0.000 0.180 47 G C -0.538 174.352 174.900 -0.017 0.000 1.279 47 G CA -0.891 44.235 45.100 0.044 0.000 0.987 47 G HN 0.471 nan 8.290 nan 0.000 0.589 48 R N -0.691 119.787 120.500 -0.036 0.000 2.577 48 R HA 0.438 4.788 4.340 0.016 0.000 0.269 48 R C 0.070 176.346 176.300 -0.040 0.000 1.084 48 R CA -0.538 55.527 56.100 -0.058 0.000 1.163 48 R CB 0.442 30.696 30.300 -0.076 0.000 1.100 48 R HN 0.395 nan 8.270 nan 0.000 0.547 49 L N 2.290 123.486 121.223 -0.046 0.000 3.954 49 L HA -0.380 3.969 4.340 0.016 0.000 0.462 49 L C -0.438 176.400 176.870 -0.053 0.000 1.195 49 L CA 0.230 55.045 54.840 -0.041 0.000 0.739 49 L CB -1.795 40.250 42.059 -0.023 0.000 1.599 49 L HN 0.910 nan 8.230 nan 0.000 0.838 50 N N -2.054 116.592 118.700 -0.090 0.000 2.778 50 N HA -0.187 4.563 4.740 0.016 0.000 0.249 50 N C 0.567 176.028 175.510 -0.082 0.000 1.069 50 N CA 1.595 54.568 53.050 -0.128 0.000 0.831 50 N CB -0.527 37.901 38.487 -0.098 0.000 1.142 50 N HN 0.664 nan 8.380 nan 0.000 0.573 51 R N 1.229 121.710 120.500 -0.031 0.000 2.641 51 R HA 0.309 4.659 4.340 0.016 0.000 0.269 51 R C 0.598 176.946 176.300 0.080 0.000 1.074 51 R CA 0.078 56.192 56.100 0.023 0.000 1.133 51 R CB 0.978 31.306 30.300 0.047 0.000 1.029 51 R HN 0.064 nan 8.270 nan 0.000 0.488 52 K N 1.213 121.674 120.400 0.100 0.000 2.098 52 K HA 0.241 4.571 4.320 0.016 0.000 0.258 52 K C -1.022 175.681 176.600 0.172 0.000 0.973 52 K CA -0.518 55.867 56.287 0.162 0.000 0.898 52 K CB 1.461 34.020 32.500 0.098 0.000 1.057 52 K HN 0.497 nan 8.250 nan 0.000 0.447 53 W N 4.034 125.294 121.300 -0.067 0.000 2.475 53 W HA 0.179 4.848 4.660 0.015 0.000 0.320 53 W C -0.827 175.542 176.519 -0.250 0.000 1.022 53 W CA -0.587 56.669 57.345 -0.148 0.000 1.240 53 W CB 1.281 30.642 29.460 -0.165 0.000 1.328 53 W HN 0.545 nan 8.180 nan 0.000 0.439 54 E N 3.153 122.946 120.200 -0.678 0.000 2.417 54 E HA 0.051 4.410 4.350 0.016 0.000 0.261 54 E C -0.176 175.926 176.600 -0.829 0.000 1.000 54 E CA 0.401 56.448 56.400 -0.589 0.000 0.919 54 E CB 1.014 30.415 29.700 -0.498 0.000 0.955 54 E HN 0.274 nan 8.360 nan 0.000 0.455 55 S N 3.713 119.029 115.700 -0.640 0.000 2.526 55 S HA 0.214 4.693 4.470 0.016 0.000 0.220 55 S C -2.270 172.122 174.600 -0.347 0.000 1.159 55 S CA -0.933 56.630 58.200 -1.062 0.000 1.196 55 S CB 0.710 63.204 63.200 -1.177 0.000 1.225 55 S HN 0.378 nan 8.310 nan 0.000 0.432 56 P HA 0.149 nan 4.420 nan 0.000 0.272 56 P C -0.276 177.255 177.300 0.385 0.000 1.240 56 P CA -0.205 62.988 63.100 0.154 0.000 0.791 56 P CB 0.714 32.465 31.700 0.086 0.000 0.978 57 E N -0.392 119.952 120.200 0.240 0.000 2.452 57 E HA 0.261 4.620 4.350 0.016 0.000 0.261 57 E C 1.108 177.794 176.600 0.144 0.000 0.987 57 E CA 1.127 57.651 56.400 0.207 0.000 0.926 57 E CB -0.276 29.495 29.700 0.118 0.000 0.934 57 E HN 0.813 nan 8.360 nan 0.000 0.452 58 G N 2.037 110.872 108.800 0.059 0.000 2.284 58 G HA2 -0.170 3.799 3.960 0.016 0.000 0.201 58 G HA3 -0.170 3.799 3.960 0.016 0.000 0.201 58 G C 0.440 175.243 174.900 -0.163 0.000 0.998 58 G CA -0.358 44.725 45.100 -0.028 0.000 0.651 58 G HN 0.807 nan 8.290 nan 0.000 0.489 59 G N -0.524 108.087 108.800 -0.315 0.000 2.531 59 G HA2 0.629 4.598 3.960 0.016 0.000 0.313 59 G HA3 0.629 4.598 3.960 0.016 0.000 0.313 59 G C -0.569 173.523 174.900 -1.347 0.000 1.238 59 G CA -0.536 44.012 45.100 -0.920 0.000 0.994 59 G HN 0.736 nan 8.290 nan 0.000 0.493 60 L N 0.961 121.417 121.223 -1.279 0.000 2.283 60 L HA 0.487 4.836 4.340 0.016 0.000 0.281 60 L C -1.448 175.123 176.870 -0.497 0.000 1.033 60 L CA -0.796 53.622 54.840 -0.703 0.000 0.848 60 L CB 0.044 41.927 42.059 -0.293 0.000 1.226 60 L HN 0.625 nan 8.230 nan 0.000 0.429 61 W N 8.091 129.451 121.300 0.099 0.000 2.299 61 W HA 0.552 5.219 4.660 0.012 0.000 0.319 61 W C -0.359 176.188 176.519 0.047 0.000 1.008 61 W CA -1.029 56.354 57.345 0.063 0.000 1.384 61 W CB 0.817 30.319 29.460 0.070 0.000 1.220 61 W HN 0.389 nan 8.180 nan 0.000 0.402 62 L N 0.515 121.862 121.223 0.207 0.000 2.359 62 L HA 0.946 5.296 4.340 0.016 0.000 0.256 62 L C -0.332 176.576 176.870 0.063 0.000 1.026 62 L CA -1.117 53.809 54.840 0.145 0.000 0.828 62 L CB 2.026 44.191 42.059 0.178 0.000 1.406 62 L HN 0.010 nan 8.230 nan 0.000 0.413 63 S N 1.095 116.830 115.700 0.057 0.000 2.541 63 S HA 0.836 5.315 4.470 0.016 0.000 0.280 63 S C -0.812 173.802 174.600 0.022 0.000 1.112 63 S CA -0.344 57.865 58.200 0.014 0.000 0.925 63 S CB 1.498 64.706 63.200 0.013 0.000 1.067 63 S HN 0.573 nan 8.310 nan 0.000 0.479 64 I N 2.036 122.590 120.570 -0.026 0.000 2.436 64 I HA 0.368 4.548 4.170 0.016 0.000 0.289 64 I C -0.661 175.417 176.117 -0.066 0.000 1.010 64 I CA -0.913 60.359 61.300 -0.046 0.000 1.098 64 I CB 1.842 39.779 38.000 -0.105 0.000 1.266 64 I HN 0.278 nan 8.210 nan 0.000 0.434 65 V N 7.328 127.221 119.914 -0.036 0.000 2.508 65 V HA 0.338 4.467 4.120 0.016 0.000 0.281 65 V C 0.171 176.216 176.094 -0.082 0.000 1.041 65 V CA -0.066 62.212 62.300 -0.036 0.000 1.016 65 V CB 0.733 32.560 31.823 0.007 0.000 0.984 65 V HN 0.465 nan 8.190 nan 0.000 0.478 66 L N 3.628 124.801 121.223 -0.083 0.000 2.371 66 L HA 0.600 4.950 4.340 0.016 0.000 0.262 66 L C 0.087 176.974 176.870 0.029 0.000 1.006 66 L CA -0.361 54.420 54.840 -0.098 0.000 0.818 66 L CB 2.338 44.275 42.059 -0.204 0.000 1.354 66 L HN 0.534 nan 8.230 nan 0.000 0.415 67 S N 1.260 117.030 115.700 0.117 0.000 2.300 67 S HA 0.368 4.848 4.470 0.016 0.000 0.172 67 S C -2.511 172.214 174.600 0.208 0.000 1.484 67 S CA -1.002 57.278 58.200 0.134 0.000 1.265 67 S CB 0.200 63.462 63.200 0.104 0.000 1.313 67 S HN 0.299 nan 8.310 nan 0.000 0.387 68 P HA 0.010 nan 4.420 nan 0.000 0.253 68 P C -0.648 176.752 177.300 0.166 0.000 1.170 68 P CA 0.341 63.627 63.100 0.311 0.000 0.806 68 P CB -0.061 31.863 31.700 0.374 0.000 0.775 69 K N 2.899 123.358 120.400 0.098 0.000 2.737 69 K HA 0.247 4.577 4.320 0.016 0.000 0.251 69 K C 0.279 176.870 176.600 -0.016 0.000 1.280 69 K CA -0.328 55.981 56.287 0.037 0.000 1.219 69 K CB -0.179 32.331 32.500 0.018 0.000 1.587 69 K HN 0.288 nan 8.250 nan 0.000 0.279 70 V N -2.263 117.652 119.914 0.002 0.000 3.160 70 V HA 0.598 4.727 4.120 0.016 0.000 0.310 70 V C -2.778 173.314 176.094 -0.004 0.000 1.181 70 V CA -2.856 59.409 62.300 -0.059 0.000 1.047 70 V CB 1.388 33.114 31.823 -0.162 0.000 1.068 70 V HN 0.098 nan 8.190 nan 0.000 0.441 71 P HA 0.204 nan 4.420 nan 0.000 0.269 71 P C 0.555 177.884 177.300 0.049 0.000 1.209 71 P CA 0.026 63.133 63.100 0.012 0.000 0.776 71 P CB 0.525 32.222 31.700 -0.004 0.000 0.876 72 Q N 2.049 121.884 119.800 0.057 0.000 2.308 72 Q HA -0.237 4.113 4.340 0.016 0.000 0.209 72 Q C 1.078 177.133 176.000 0.092 0.000 0.985 72 Q CA 1.326 57.172 55.803 0.073 0.000 0.881 72 Q CB 0.060 28.833 28.738 0.057 0.000 0.917 72 Q HN 0.233 nan 8.270 nan 0.000 0.443 73 K N 0.406 120.863 120.400 0.095 0.000 2.365 73 K HA -0.079 4.251 4.320 0.016 0.000 0.199 73 K C 0.890 177.577 176.600 0.144 0.000 1.045 73 K CA 0.847 57.215 56.287 0.136 0.000 0.962 73 K CB 0.082 32.672 32.500 0.149 0.000 0.759 73 K HN 0.353 nan 8.250 nan 0.000 0.469 74 D N 0.977 121.458 120.400 0.134 0.000 2.327 74 D HA -0.015 4.634 4.640 0.016 0.000 0.205 74 D C 1.902 178.386 176.300 0.307 0.000 0.989 74 D CA 0.071 54.198 54.000 0.211 0.000 0.873 74 D CB -0.014 40.886 40.800 0.167 0.000 0.955 74 D HN 0.113 nan 8.370 nan 0.000 0.515 75 L N 1.678 123.039 121.223 0.231 0.000 2.064 75 L HA -0.157 4.193 4.340 0.016 0.000 0.216 75 L C -1.050 175.901 176.870 0.135 0.000 1.077 75 L CA 1.943 56.893 54.840 0.184 0.000 0.766 75 L CB -1.449 40.684 42.059 0.123 0.000 0.890 75 L HN -0.070 nan 8.230 nan 0.000 0.435 76 P HA -0.126 nan 4.420 nan 0.000 0.228 76 P C 0.873 178.236 177.300 0.104 0.000 1.151 76 P CA 1.388 64.607 63.100 0.198 0.000 0.770 76 P CB -0.067 31.688 31.700 0.091 0.000 0.786 77 K N -1.019 119.465 120.400 0.141 0.000 2.459 77 K HA 0.109 4.438 4.320 0.016 0.000 0.193 77 K C 1.716 178.239 176.600 -0.129 0.000 1.030 77 K CA 0.395 56.788 56.287 0.176 0.000 1.026 77 K CB -0.219 32.515 32.500 0.390 0.000 0.809 77 K HN 0.228 nan 8.250 nan 0.000 0.504 78 I N 0.459 120.887 120.570 -0.237 0.000 2.394 78 I HA -0.238 3.942 4.170 0.016 0.000 0.251 78 I C 2.256 178.198 176.117 -0.290 0.000 1.136 78 I CA 0.775 61.882 61.300 -0.322 0.000 1.425 78 I CB -0.121 37.750 38.000 -0.215 0.000 1.079 78 I HN -0.022 nan 8.210 nan 0.000 0.425 79 V N 0.822 120.496 119.914 -0.399 0.000 2.407 79 V HA -0.291 3.838 4.120 0.016 0.000 0.248 79 V C 2.234 178.101 176.094 -0.377 0.000 1.055 79 V CA 1.976 63.985 62.300 -0.484 0.000 1.049 79 V CB -0.416 30.937 31.823 -0.783 0.000 0.662 79 V HN 0.244 nan 8.190 nan 0.000 0.455 80 F N -0.192 119.682 119.950 -0.127 0.000 2.234 80 F HA -0.000 4.535 4.527 0.014 0.000 0.299 80 F C 2.095 177.845 175.800 -0.083 0.000 1.087 80 F CA 0.994 58.946 58.000 -0.080 0.000 1.340 80 F CB -0.911 38.081 39.000 -0.013 0.000 1.031 80 F HN 0.130 nan 8.300 nan 0.000 0.500 81 L N -0.391 120.842 121.223 0.015 0.000 2.012 81 L HA -0.162 4.187 4.340 0.016 0.000 0.210 81 L C 2.785 179.637 176.870 -0.031 0.000 1.073 81 L CA 1.531 56.353 54.840 -0.030 0.000 0.748 81 L CB -1.467 40.516 42.059 -0.127 0.000 0.891 81 L HN 0.260 nan 8.230 nan 0.000 0.431 82 G N -0.437 108.317 108.800 -0.077 0.000 2.480 82 G HA2 -0.277 3.692 3.960 0.016 0.000 0.216 82 G HA3 -0.277 3.692 3.960 0.016 0.000 0.216 82 G C 1.778 176.653 174.900 -0.042 0.000 1.200 82 G CA 0.920 45.971 45.100 -0.082 0.000 0.782 82 G HN 0.468 nan 8.290 nan 0.000 0.554 83 A N -0.005 122.804 122.820 -0.018 0.000 1.892 83 A HA -0.052 4.277 4.320 0.016 0.000 0.218 83 A C 2.620 180.226 177.584 0.037 0.000 1.188 83 A CA 2.307 54.358 52.037 0.024 0.000 0.631 83 A CB -0.842 18.215 19.000 0.094 0.000 0.822 83 A HN 0.344 nan 8.150 nan 0.000 0.447 84 V N -0.206 119.740 119.914 0.053 0.000 2.427 84 V HA -0.132 3.997 4.120 0.016 0.000 0.248 84 V C 2.782 178.890 176.094 0.024 0.000 1.051 84 V CA 1.699 64.024 62.300 0.041 0.000 1.048 84 V CB -1.467 30.387 31.823 0.050 0.000 0.666 84 V HN 0.645 nan 8.190 nan 0.000 0.456 85 G N 0.277 109.083 108.800 0.010 0.000 2.459 85 G HA2 -0.238 3.732 3.960 0.016 0.000 0.217 85 G HA3 -0.238 3.732 3.960 0.016 0.000 0.217 85 G C 1.679 176.577 174.900 -0.003 0.000 1.183 85 G CA 1.410 46.508 45.100 -0.004 0.000 0.776 85 G HN 0.371 nan 8.290 nan 0.000 0.552 86 V N 0.470 120.379 119.914 -0.009 0.000 2.287 86 V HA -0.205 3.925 4.120 0.016 0.000 0.248 86 V C 3.044 179.146 176.094 0.014 0.000 1.053 86 V CA 1.632 63.929 62.300 -0.006 0.000 1.027 86 V CB -0.707 31.110 31.823 -0.009 0.000 0.646 86 V HN 0.243 nan 8.190 nan 0.000 0.447 87 V N -0.072 119.853 119.914 0.019 0.000 2.252 87 V HA -0.332 3.797 4.120 0.016 0.000 0.249 87 V C 2.489 178.604 176.094 0.035 0.000 1.056 87 V CA 2.391 64.706 62.300 0.026 0.000 1.022 87 V CB -0.707 31.130 31.823 0.023 0.000 0.641 87 V HN 0.638 nan 8.190 nan 0.000 0.445 88 E N -0.479 119.740 120.200 0.033 0.000 2.058 88 E HA -0.228 4.131 4.350 0.016 0.000 0.194 88 E C 2.279 178.917 176.600 0.063 0.000 0.997 88 E CA 1.875 58.298 56.400 0.038 0.000 0.801 88 E CB -0.331 29.387 29.700 0.029 0.000 0.746 88 E HN 0.555 nan 8.360 nan 0.000 0.450 89 T N 1.311 115.910 114.554 0.075 0.000 2.867 89 T HA -0.060 4.300 4.350 0.016 0.000 0.268 89 T C 1.894 176.736 174.700 0.236 0.000 1.057 89 T CA 0.586 62.776 62.100 0.150 0.000 1.136 89 T CB -0.055 68.872 68.868 0.098 0.000 0.874 89 T HN 0.075 nan 8.240 nan 0.000 0.466 90 L N 0.506 121.806 121.223 0.128 0.000 2.093 90 L HA -0.047 4.302 4.340 0.016 0.000 0.208 90 L C 2.664 179.624 176.870 0.150 0.000 1.085 90 L CA 1.076 55.992 54.840 0.127 0.000 0.755 90 L CB -0.371 41.721 42.059 0.056 0.000 0.904 90 L HN 0.141 nan 8.230 nan 0.000 0.435 91 K N 0.183 120.643 120.400 0.100 0.000 2.148 91 K HA -0.165 4.164 4.320 0.016 0.000 0.204 91 K C 1.830 178.463 176.600 0.055 0.000 1.050 91 K CA 1.088 57.414 56.287 0.065 0.000 0.942 91 K CB -0.089 32.434 32.500 0.038 0.000 0.724 91 K HN 0.424 nan 8.250 nan 0.000 0.446 92 E N -0.225 120.020 120.200 0.074 0.000 2.150 92 E HA -0.097 4.262 4.350 0.016 0.000 0.193 92 E C 0.730 177.226 176.600 -0.174 0.000 0.985 92 E CA 0.812 57.187 56.400 -0.043 0.000 0.814 92 E CB 0.005 29.680 29.700 -0.041 0.000 0.752 92 E HN 0.186 nan 8.360 nan 0.000 0.466 93 F N 0.148 120.094 119.950 -0.006 0.000 2.660 93 F HA 0.187 4.721 4.527 0.011 0.000 0.297 93 F C 0.637 176.435 175.800 -0.003 0.000 1.132 93 F CA -0.110 57.887 58.000 -0.004 0.000 1.372 93 F CB 0.385 39.382 39.000 -0.005 0.000 1.003 93 F HN -0.265 nan 8.300 nan 0.000 0.524 94 S N 0.770 116.527 115.700 0.094 0.000 3.533 94 S HA -0.225 4.255 4.470 0.016 0.000 0.347 94 S C 0.218 174.860 174.600 0.071 0.000 1.101 94 S CA 0.311 58.547 58.200 0.060 0.000 1.009 94 S CB -1.914 61.306 63.200 0.033 0.000 0.916 94 S HN 0.331 nan 8.310 nan 0.000 0.496 95 I N 1.387 122.012 120.570 0.092 0.000 2.359 95 I HA 0.231 4.411 4.170 0.016 0.000 0.294 95 I C 0.380 176.523 176.117 0.044 0.000 0.987 95 I CA -0.565 60.773 61.300 0.065 0.000 1.225 95 I CB 1.384 39.424 38.000 0.067 0.000 1.366 95 I HN -0.029 nan 8.210 nan 0.000 0.466 96 D N 5.961 126.376 120.400 0.026 0.000 2.608 96 D HA 0.189 4.838 4.640 0.016 0.000 0.224 96 D C 0.431 176.730 176.300 -0.001 0.000 1.123 96 D CA -0.075 53.932 54.000 0.011 0.000 1.030 96 D CB 0.160 40.962 40.800 0.004 0.000 1.093 96 D HN 0.611 nan 8.370 nan 0.000 0.497 97 G N 2.388 111.192 108.800 0.006 0.000 2.415 97 G HA2 0.491 4.460 3.960 0.016 0.000 0.269 97 G HA3 0.491 4.460 3.960 0.016 0.000 0.269 97 G C -0.258 174.632 174.900 -0.016 0.000 1.209 97 G CA -0.726 44.373 45.100 -0.002 0.000 0.835 97 G HN 0.421 nan 8.290 nan 0.000 0.534 98 R N 1.069 121.548 120.500 -0.036 0.000 2.621 98 R HA 0.337 4.687 4.340 0.016 0.000 0.284 98 R C -0.559 175.731 176.300 -0.017 0.000 0.998 98 R CA -0.869 55.204 56.100 -0.046 0.000 0.895 98 R CB 2.413 32.645 30.300 -0.113 0.000 1.195 98 R HN 0.423 nan 8.270 nan 0.000 0.450 99 I N 2.356 122.938 120.570 0.019 0.000 2.529 99 I HA 0.115 4.294 4.170 0.016 0.000 0.284 99 I C 0.329 176.521 176.117 0.124 0.000 1.082 99 I CA 0.125 61.466 61.300 0.069 0.000 1.406 99 I CB 0.677 38.726 38.000 0.082 0.000 1.405 99 I HN 0.360 nan 8.210 nan 0.000 0.548 100 K N 7.173 127.675 120.400 0.170 0.000 2.394 100 K HA 0.164 4.493 4.320 0.016 0.000 0.260 100 K C -0.969 175.791 176.600 0.267 0.000 0.967 100 K CA -0.651 55.809 56.287 0.288 0.000 0.855 100 K CB 0.984 33.682 32.500 0.329 0.000 1.101 100 K HN 0.547 nan 8.250 nan 0.000 0.433 101 W N 7.853 129.234 121.300 0.135 0.000 2.231 101 W HA 0.018 4.687 4.660 0.014 0.000 0.341 101 W C -1.781 174.774 176.519 0.060 0.000 1.298 101 W CA -0.988 56.437 57.345 0.134 0.000 1.266 101 W CB 0.931 30.468 29.460 0.129 0.000 1.172 101 W HN 0.534 nan 8.180 nan 0.000 0.568 102 P HA -0.017 nan 4.420 nan 0.000 0.244 102 P C -0.069 176.880 177.300 -0.585 0.000 1.191 102 P CA 0.997 63.399 63.100 -1.163 0.000 0.829 102 P CB 0.540 31.068 31.700 -1.953 0.000 1.008 103 N N -0.335 118.137 118.700 -0.380 0.000 2.466 103 N HA 0.109 4.858 4.740 0.016 0.000 0.272 103 N C -1.013 174.413 175.510 -0.139 0.000 1.455 103 N CA -0.220 52.653 53.050 -0.296 0.000 0.875 103 N CB 0.197 38.450 38.487 -0.390 0.000 1.372 103 N HN -0.073 nan 8.380 nan 0.000 0.492 104 D N 0.352 120.727 120.400 -0.041 0.000 2.433 104 D HA 0.411 5.060 4.640 0.016 0.000 0.236 104 D C -0.618 175.716 176.300 0.058 0.000 1.026 104 D CA -0.500 53.515 54.000 0.025 0.000 0.884 104 D CB 3.287 44.132 40.800 0.075 0.000 1.384 104 D HN -0.172 nan 8.370 nan 0.000 0.477 105 V N 2.020 121.972 119.914 0.064 0.000 2.444 105 V HA 0.405 4.535 4.120 0.016 0.000 0.294 105 V C 0.022 176.151 176.094 0.059 0.000 1.022 105 V CA -0.658 61.674 62.300 0.053 0.000 0.850 105 V CB 1.530 33.377 31.823 0.040 0.000 0.992 105 V HN 0.314 nan 8.190 nan 0.000 0.426 106 L N 4.552 125.788 121.223 0.022 0.000 2.313 106 L HA 0.786 5.135 4.340 0.016 0.000 0.268 106 L C -0.827 176.024 176.870 -0.032 0.000 1.010 106 L CA -1.110 53.731 54.840 0.003 0.000 0.814 106 L CB 2.300 44.332 42.059 -0.045 0.000 1.304 106 L HN 0.301 nan 8.230 nan 0.000 0.441 107 V N 1.472 121.379 119.914 -0.011 0.000 2.409 107 V HA 0.294 4.424 4.120 0.016 0.000 0.290 107 V C -0.207 175.890 176.094 0.004 0.000 1.017 107 V CA -0.630 61.664 62.300 -0.010 0.000 0.841 107 V CB 1.158 32.990 31.823 0.015 0.000 1.003 107 V HN 0.879 nan 8.190 nan 0.000 0.426 108 N N 4.261 122.953 118.700 -0.013 0.000 2.735 108 N HA -0.259 4.491 4.740 0.016 0.000 0.248 108 N C 0.141 175.758 175.510 0.178 0.000 1.083 108 N CA 1.271 54.361 53.050 0.067 0.000 0.703 108 N CB -1.160 37.370 38.487 0.070 0.000 1.005 108 N HN 0.968 nan 8.380 nan 0.000 0.550 109 Y N -3.034 117.247 120.300 -0.032 0.000 4.841 109 Y HA -0.298 4.257 4.550 0.008 0.000 0.242 109 Y C 0.441 176.361 175.900 0.034 0.000 1.002 109 Y CA 1.302 59.385 58.100 -0.028 0.000 2.011 109 Y CB -1.393 37.024 38.460 -0.072 0.000 1.554 109 Y HN 0.200 nan 8.280 nan 0.000 0.618 110 K N 1.159 121.634 120.400 0.127 0.000 2.235 110 K HA 0.352 4.681 4.320 0.016 0.000 0.266 110 K C 0.008 176.662 176.600 0.091 0.000 0.980 110 K CA -1.035 55.316 56.287 0.107 0.000 0.849 110 K CB 1.601 34.148 32.500 0.078 0.000 1.098 110 K HN 0.019 nan 8.250 nan 0.000 0.445 111 K N 3.601 124.067 120.400 0.110 0.000 2.416 111 K HA 0.037 4.367 4.320 0.016 0.000 0.283 111 K C 0.353 177.029 176.600 0.126 0.000 1.037 111 K CA 0.229 56.593 56.287 0.129 0.000 0.995 111 K CB 0.361 32.959 32.500 0.163 0.000 0.938 111 K HN 0.649 nan 8.250 nan 0.000 0.475 112 I N 2.560 123.210 120.570 0.135 0.000 4.288 112 I HA 0.257 4.436 4.170 0.016 0.000 0.331 112 I C -0.605 175.638 176.117 0.210 0.000 1.322 112 I CA -0.004 61.375 61.300 0.133 0.000 1.149 112 I CB 0.634 38.678 38.000 0.073 0.000 1.112 112 I HN 0.691 nan 8.210 nan 0.000 0.403 113 A N -0.320 122.648 122.820 0.246 0.000 2.594 113 A HA 0.707 5.037 4.320 0.016 0.000 0.296 113 A C -0.724 176.962 177.584 0.171 0.000 1.061 113 A CA -0.127 52.066 52.037 0.260 0.000 0.689 113 A CB 0.808 19.876 19.000 0.113 0.000 1.280 113 A HN 0.171 nan 8.150 nan 0.000 0.406 114 G N -0.565 108.194 108.800 -0.070 0.000 2.498 114 G HA2 0.662 4.632 3.960 0.016 0.000 0.312 114 G HA3 0.662 4.632 3.960 0.016 0.000 0.312 114 G C -1.481 173.205 174.900 -0.357 0.000 1.230 114 G CA -0.687 44.217 45.100 -0.328 0.000 0.968 114 G HN 1.287 nan 8.290 nan 0.000 0.481 115 V N 2.335 122.067 119.914 -0.304 0.000 2.569 115 V HA 0.523 4.653 4.120 0.016 0.000 0.301 115 V C -0.870 175.043 176.094 -0.301 0.000 1.044 115 V CA -0.806 61.328 62.300 -0.277 0.000 0.874 115 V CB 1.654 33.341 31.823 -0.227 0.000 1.002 115 V HN 0.671 nan 8.190 nan 0.000 0.424 116 L N 6.462 127.519 121.223 -0.277 0.000 2.406 116 L HA 0.687 5.037 4.340 0.016 0.000 0.272 116 L C -1.115 175.636 176.870 -0.198 0.000 0.980 116 L CA -0.374 54.318 54.840 -0.246 0.000 0.831 116 L CB 2.100 44.027 42.059 -0.220 0.000 1.253 116 L HN 0.466 nan 8.230 nan 0.000 0.406 117 V N 5.434 125.229 119.914 -0.199 0.000 2.370 117 V HA 0.489 4.619 4.120 0.016 0.000 0.279 117 V C 0.119 176.157 176.094 -0.092 0.000 1.029 117 V CA -0.538 61.675 62.300 -0.144 0.000 0.870 117 V CB 1.727 33.457 31.823 -0.155 0.000 0.984 117 V HN 0.779 nan 8.190 nan 0.000 0.451 118 E N 2.224 122.382 120.200 -0.071 0.000 2.339 118 E HA 0.760 5.119 4.350 0.016 0.000 0.262 118 E C 0.308 176.889 176.600 -0.031 0.000 0.934 118 E CA -0.074 56.298 56.400 -0.046 0.000 0.802 118 E CB 2.213 31.884 29.700 -0.048 0.000 1.275 118 E HN 1.005 nan 8.360 nan 0.000 0.427 119 G N 0.899 109.686 108.800 -0.022 0.000 2.741 119 G HA2 -0.229 3.740 3.960 0.016 0.000 0.222 119 G HA3 -0.229 3.740 3.960 0.016 0.000 0.222 119 G C -0.535 174.363 174.900 -0.002 0.000 1.364 119 G CA 0.264 45.354 45.100 -0.016 0.000 0.866 119 G HN 0.524 nan 8.290 nan 0.000 0.555 120 K N -2.125 118.277 120.400 0.003 0.000 2.303 120 K HA 0.616 4.946 4.320 0.016 0.000 0.258 120 K C 0.982 177.594 176.600 0.020 0.000 0.846 120 K CA 0.535 56.832 56.287 0.016 0.000 0.686 120 K CB 0.757 33.267 32.500 0.017 0.000 1.425 120 K HN 2.643 nan 8.250 nan 0.000 0.345 121 G N 1.066 109.883 108.800 0.027 0.000 2.596 121 G HA2 -0.252 3.717 3.960 0.016 0.000 0.258 121 G HA3 -0.252 3.717 3.960 0.016 0.000 0.258 121 G C -0.621 174.302 174.900 0.039 0.000 1.207 121 G CA 0.563 45.681 45.100 0.029 0.000 0.954 121 G HN 0.765 nan 8.290 nan 0.000 0.551 122 D N 0.610 121.034 120.400 0.040 0.000 2.593 122 D HA 0.299 4.948 4.640 0.016 0.000 0.241 122 D C 0.411 176.741 176.300 0.050 0.000 1.257 122 D CA 0.262 54.292 54.000 0.050 0.000 0.828 122 D CB 0.628 41.457 40.800 0.048 0.000 1.049 122 D HN 0.634 nan 8.370 nan 0.000 0.490 123 K N 1.301 121.724 120.400 0.038 0.000 2.690 123 K HA 0.270 4.599 4.320 0.016 0.000 0.243 123 K C -1.420 175.187 176.600 0.012 0.000 0.982 123 K CA -0.564 55.738 56.287 0.025 0.000 0.955 123 K CB 1.247 33.757 32.500 0.017 0.000 1.185 123 K HN -0.130 nan 8.250 nan 0.000 0.467 124 I N 3.844 124.421 120.570 0.012 0.000 2.437 124 I HA 0.343 4.523 4.170 0.016 0.000 0.298 124 I C -0.104 175.992 176.117 -0.036 0.000 0.984 124 I CA -1.026 60.270 61.300 -0.007 0.000 1.214 124 I CB 1.779 39.784 38.000 0.008 0.000 1.365 124 I HN 0.277 nan 8.210 nan 0.000 0.469 125 V N 6.792 126.678 119.914 -0.047 0.000 2.384 125 V HA 0.348 4.478 4.120 0.016 0.000 0.287 125 V C 0.006 176.051 176.094 -0.083 0.000 1.020 125 V CA -0.639 61.626 62.300 -0.059 0.000 0.850 125 V CB 2.087 33.881 31.823 -0.048 0.000 0.987 125 V HN 0.467 nan 8.190 nan 0.000 0.436 126 L N 5.352 126.515 121.223 -0.099 0.000 2.287 126 L HA 0.671 5.021 4.340 0.016 0.000 0.280 126 L C 0.706 177.508 176.870 -0.112 0.000 1.055 126 L CA -0.193 54.573 54.840 -0.124 0.000 0.863 126 L CB 0.417 42.387 42.059 -0.148 0.000 1.245 126 L HN 0.772 nan 8.230 nan 0.000 0.432 127 G N 6.073 114.797 108.800 -0.127 0.000 2.338 127 G HA2 0.574 4.544 3.960 0.016 0.000 0.298 127 G HA3 0.574 4.544 3.960 0.016 0.000 0.298 127 G C -0.676 174.127 174.900 -0.163 0.000 1.140 127 G CA -0.412 44.610 45.100 -0.130 0.000 0.860 127 G HN 0.558 nan 8.290 nan 0.000 0.470 128 I N 1.257 121.754 120.570 -0.122 0.000 2.582 128 I HA 0.532 4.712 4.170 0.016 0.000 0.292 128 I C 0.193 176.277 176.117 -0.055 0.000 1.066 128 I CA -0.966 60.261 61.300 -0.122 0.000 1.053 128 I CB 2.770 40.722 38.000 -0.080 0.000 1.241 128 I HN 0.596 nan 8.210 nan 0.000 0.421 129 G N 6.439 115.180 108.800 -0.098 0.000 2.866 129 G HA2 0.595 4.564 3.960 0.016 0.000 0.291 129 G HA3 0.595 4.564 3.960 0.016 0.000 0.291 129 G C -1.573 173.567 174.900 0.399 0.000 1.476 129 G CA -0.300 44.944 45.100 0.240 0.000 1.048 129 G HN 0.467 nan 8.290 nan 0.000 0.542 130 L N 2.505 123.867 121.223 0.232 0.000 2.313 130 L HA 0.503 4.853 4.340 0.016 0.000 0.283 130 L C -0.599 176.265 176.870 -0.011 0.000 1.013 130 L CA -1.093 53.820 54.840 0.123 0.000 0.816 130 L CB 1.414 43.455 42.059 -0.030 0.000 1.236 130 L HN 0.313 nan 8.230 nan 0.000 0.419 131 N N 4.034 122.822 118.700 0.146 0.000 2.442 131 N HA 0.145 4.894 4.740 0.016 0.000 0.265 131 N C 0.264 175.736 175.510 -0.062 0.000 1.138 131 N CA -0.099 52.988 53.050 0.063 0.000 0.956 131 N CB 1.999 40.570 38.487 0.140 0.000 1.067 131 N HN 0.464 nan 8.380 nan 0.000 0.474 132 V N 2.291 122.121 119.914 -0.140 0.000 3.430 132 V HA 0.091 4.220 4.120 0.016 0.000 0.211 132 V C 1.292 177.331 176.094 -0.092 0.000 1.173 132 V CA 0.350 62.562 62.300 -0.146 0.000 1.310 132 V CB -0.023 31.672 31.823 -0.213 0.000 1.361 132 V HN 0.575 nan 8.190 nan 0.000 0.512 133 N N 1.256 119.905 118.700 -0.086 0.000 2.220 133 N HA 0.078 4.828 4.740 0.016 0.000 0.195 133 N C 0.232 175.736 175.510 -0.011 0.000 1.123 133 N CA -0.032 52.992 53.050 -0.044 0.000 0.874 133 N CB 0.061 38.521 38.487 -0.045 0.000 0.995 133 N HN 0.655 nan 8.380 nan 0.000 0.498 134 N N 1.677 120.381 118.700 0.007 0.000 2.467 134 N HA -0.029 4.720 4.740 0.016 0.000 0.262 134 N C 0.223 175.766 175.510 0.054 0.000 1.234 134 N CA -0.154 52.934 53.050 0.063 0.000 0.952 134 N CB 1.492 40.080 38.487 0.170 0.000 1.158 134 N HN 0.003 nan 8.380 nan 0.000 0.463 135 K N 0.398 120.825 120.400 0.046 0.000 2.319 135 K HA 0.200 4.529 4.320 0.016 0.000 0.265 135 K C -1.054 175.554 176.600 0.014 0.000 1.000 135 K CA -0.419 55.879 56.287 0.019 0.000 0.943 135 K CB 0.651 33.155 32.500 0.007 0.000 0.950 135 K HN 0.380 nan 8.250 nan 0.000 0.485 136 V N 3.599 123.506 119.914 -0.011 0.000 3.040 136 V HA 0.404 4.534 4.120 0.016 0.000 0.312 136 V C -2.368 173.686 176.094 -0.067 0.000 1.115 136 V CA -2.168 60.105 62.300 -0.044 0.000 0.998 136 V CB 2.115 33.926 31.823 -0.019 0.000 1.042 136 V HN 0.893 nan 8.190 nan 0.000 0.433 137 P HA 0.177 nan 4.420 nan 0.000 0.270 137 P C -0.985 176.282 177.300 -0.055 0.000 1.223 137 P CA -0.113 62.930 63.100 -0.095 0.000 0.785 137 P CB 0.208 31.824 31.700 -0.139 0.000 0.923 138 N N 0.829 119.506 118.700 -0.039 0.000 2.411 138 N HA 0.228 4.977 4.740 0.016 0.000 0.261 138 N C 1.155 176.660 175.510 -0.008 0.000 1.248 138 N CA 1.470 54.508 53.050 -0.019 0.000 0.885 138 N CB -0.250 38.228 38.487 -0.014 0.000 1.062 138 N HN 0.674 nan 8.380 nan 0.000 0.471 139 G N 1.104 109.908 108.800 0.006 0.000 2.232 139 G HA2 -0.136 3.833 3.960 0.016 0.000 0.226 139 G HA3 -0.136 3.833 3.960 0.016 0.000 0.226 139 G C 0.213 175.133 174.900 0.033 0.000 0.996 139 G CA 0.200 45.315 45.100 0.024 0.000 0.626 139 G HN 1.006 nan 8.290 nan 0.000 0.509 140 A N -0.806 122.023 122.820 0.014 0.000 2.248 140 A HA 0.955 5.285 4.320 0.016 0.000 0.316 140 A C 0.349 177.947 177.584 0.024 0.000 1.101 140 A CA 0.891 52.940 52.037 0.021 0.000 0.875 140 A CB 1.510 20.500 19.000 -0.016 0.000 1.207 140 A HN 1.396 nan 8.150 nan 0.000 0.504 141 T N -1.421 113.154 114.554 0.035 0.000 2.778 141 T HA 0.693 5.052 4.350 0.016 0.000 0.293 141 T C -0.735 173.986 174.700 0.034 0.000 1.144 141 T CA 0.223 62.342 62.100 0.031 0.000 1.010 141 T CB 1.238 70.126 68.868 0.034 0.000 1.325 141 T HN 1.902 nan 8.240 nan 0.000 0.515 142 S N 0.726 116.440 115.700 0.022 0.000 2.579 142 S HA 0.448 4.927 4.470 0.016 0.000 0.272 142 S C 1.268 175.864 174.600 -0.006 0.000 1.141 142 S CA -0.866 57.342 58.200 0.012 0.000 0.843 142 S CB 1.241 64.445 63.200 0.008 0.000 1.122 142 S HN 0.761 nan 8.310 nan 0.000 0.468 143 M N 1.406 120.985 119.600 -0.035 0.000 2.089 143 M HA -0.158 4.331 4.480 0.016 0.000 0.257 143 M C 2.311 178.594 176.300 -0.029 0.000 1.071 143 M CA 2.228 57.497 55.300 -0.052 0.000 1.096 143 M CB -0.616 31.901 32.600 -0.137 0.000 1.330 143 M HN 0.905 nan 8.290 nan 0.000 0.403 144 K N 0.955 121.335 120.400 -0.033 0.000 2.097 144 K HA -0.134 4.196 4.320 0.016 0.000 0.206 144 K C 1.691 178.291 176.600 -0.000 0.000 1.049 144 K CA 1.181 57.460 56.287 -0.015 0.000 0.933 144 K CB -0.107 32.382 32.500 -0.018 0.000 0.717 144 K HN 0.338 nan 8.250 nan 0.000 0.442 145 L N 0.697 121.920 121.223 0.001 0.000 2.291 145 L HA -0.075 4.274 4.340 0.016 0.000 0.214 145 L C 2.178 179.055 176.870 0.013 0.000 1.120 145 L CA 0.614 55.459 54.840 0.008 0.000 0.799 145 L CB -0.100 41.965 42.059 0.010 0.000 0.925 145 L HN 0.195 nan 8.230 nan 0.000 0.446 146 E N -0.092 120.116 120.200 0.013 0.000 2.140 146 E HA 0.004 4.364 4.350 0.016 0.000 0.191 146 E C 2.215 178.829 176.600 0.025 0.000 0.973 146 E CA 0.796 57.208 56.400 0.020 0.000 0.829 146 E CB 0.170 29.883 29.700 0.021 0.000 0.781 146 E HN 0.452 nan 8.360 nan 0.000 0.466 147 L N -0.656 120.583 121.223 0.027 0.000 2.446 147 L HA 0.167 4.516 4.340 0.016 0.000 0.219 147 L C 1.381 178.267 176.870 0.027 0.000 1.116 147 L CA 0.579 55.440 54.840 0.036 0.000 0.844 147 L CB -0.020 42.070 42.059 0.053 0.000 0.970 147 L HN 0.232 nan 8.230 nan 0.000 0.457 148 G N 0.666 109.478 108.800 0.020 0.000 2.143 148 G HA2 -0.269 3.700 3.960 0.016 0.000 0.249 148 G HA3 -0.269 3.700 3.960 0.016 0.000 0.249 148 G C 0.199 175.108 174.900 0.015 0.000 0.981 148 G CA 0.315 45.424 45.100 0.016 0.000 0.665 148 G HN 0.515 nan 8.290 nan 0.000 0.528 149 S N -1.504 114.207 115.700 0.017 0.000 2.565 149 S HA 0.631 5.110 4.470 0.016 0.000 0.269 149 S C -0.583 174.025 174.600 0.013 0.000 1.153 149 S CA -0.012 58.198 58.200 0.016 0.000 0.835 149 S CB 2.116 65.329 63.200 0.022 0.000 1.122 149 S HN 0.842 nan 8.310 nan 0.000 0.462 150 E N 0.534 120.739 120.200 0.008 0.000 2.413 150 E HA 0.390 4.750 4.350 0.016 0.000 0.263 150 E C -1.083 175.522 176.600 0.008 0.000 1.015 150 E CA -0.367 56.033 56.400 -0.000 0.000 0.916 150 E CB 0.556 30.256 29.700 -0.001 0.000 0.947 150 E HN 0.504 nan 8.360 nan 0.000 0.440 151 V N 6.512 126.417 119.914 -0.015 0.000 2.487 151 V HA 0.305 4.434 4.120 0.016 0.000 0.298 151 V C -2.173 173.907 176.094 -0.024 0.000 1.028 151 V CA -1.820 60.476 62.300 -0.008 0.000 0.860 151 V CB 1.560 33.326 31.823 -0.096 0.000 0.991 151 V HN 0.747 nan 8.190 nan 0.000 0.427 152 P HA 0.012 nan 4.420 nan 0.000 0.259 152 P C 0.783 178.076 177.300 -0.011 0.000 1.211 152 P CA 0.013 63.123 63.100 0.018 0.000 0.810 152 P CB 0.996 32.731 31.700 0.059 0.000 0.815 153 L N 5.276 126.467 121.223 -0.054 0.000 2.043 153 L HA -0.214 4.136 4.340 0.016 0.000 0.212 153 L C 2.071 178.930 176.870 -0.020 0.000 1.075 153 L CA 1.831 56.623 54.840 -0.080 0.000 0.752 153 L CB -1.185 40.812 42.059 -0.102 0.000 0.891 153 L HN 0.250 nan 8.230 nan 0.000 0.432 154 L N -1.502 119.716 121.223 -0.010 0.000 2.201 154 L HA -0.117 4.232 4.340 0.016 0.000 0.212 154 L C 2.344 179.294 176.870 0.134 0.000 1.105 154 L CA 1.770 56.629 54.840 0.031 0.000 0.775 154 L CB -0.701 41.338 42.059 -0.033 0.000 0.913 154 L HN 0.271 nan 8.230 nan 0.000 0.440 155 S N -1.417 114.357 115.700 0.124 0.000 2.387 155 S HA -0.074 4.405 4.470 0.016 0.000 0.226 155 S C 1.902 176.656 174.600 0.256 0.000 1.026 155 S CA 1.173 59.498 58.200 0.207 0.000 0.972 155 S CB -0.180 63.185 63.200 0.276 0.000 0.814 155 S HN 0.343 nan 8.310 nan 0.000 0.477 156 V N 1.356 121.330 119.914 0.100 0.000 2.427 156 V HA -0.127 4.002 4.120 0.016 0.000 0.248 156 V C 1.838 177.954 176.094 0.037 0.000 1.051 156 V CA 1.599 63.865 62.300 -0.057 0.000 1.048 156 V CB -0.745 30.903 31.823 -0.291 0.000 0.666 156 V HN 0.503 nan 8.190 nan 0.000 0.456 157 F N 1.488 121.409 119.950 -0.049 0.000 2.069 157 F HA -0.194 4.341 4.527 0.013 0.000 0.298 157 F C 2.632 178.434 175.800 0.003 0.000 1.113 157 F CA 1.850 59.829 58.000 -0.035 0.000 1.214 157 F CB -0.253 38.721 39.000 -0.043 0.000 0.978 157 F HN -0.058 nan 8.300 nan 0.000 0.474 158 R N -0.433 120.158 120.500 0.153 0.000 2.096 158 R HA -0.166 4.184 4.340 0.016 0.000 0.235 158 R C 2.617 178.902 176.300 -0.026 0.000 1.127 158 R CA 1.445 57.581 56.100 0.061 0.000 0.968 158 R CB -0.853 29.532 30.300 0.142 0.000 0.861 158 R HN 0.356 nan 8.270 nan 0.000 0.440 159 S N 0.875 116.600 115.700 0.041 0.000 2.355 159 S HA -0.116 4.363 4.470 0.016 0.000 0.222 159 S C 1.901 176.489 174.600 -0.020 0.000 1.031 159 S CA 0.934 59.169 58.200 0.058 0.000 0.993 159 S CB -0.135 63.194 63.200 0.215 0.000 0.859 159 S HN 0.210 nan 8.310 nan 0.000 0.453 160 L N 1.798 122.972 121.223 -0.082 0.000 2.017 160 L HA 0.048 4.397 4.340 0.016 0.000 0.208 160 L C 2.089 178.846 176.870 -0.188 0.000 1.073 160 L CA 1.630 56.393 54.840 -0.129 0.000 0.745 160 L CB -0.737 41.224 42.059 -0.163 0.000 0.894 160 L HN 0.324 nan 8.230 nan 0.000 0.432 161 I N -0.712 119.660 120.570 -0.330 0.000 2.226 161 I HA -0.262 3.918 4.170 0.016 0.000 0.245 161 I C 2.361 178.393 176.117 -0.142 0.000 1.100 161 I CA 1.536 62.654 61.300 -0.304 0.000 1.374 161 I CB -1.808 35.916 38.000 -0.461 0.000 1.057 161 I HN 0.286 nan 8.210 nan 0.000 0.413 162 T N 1.559 116.052 114.554 -0.102 0.000 2.708 162 T HA -0.135 4.224 4.350 0.016 0.000 0.266 162 T C 1.752 176.440 174.700 -0.019 0.000 1.037 162 T CA 1.460 63.537 62.100 -0.038 0.000 1.146 162 T CB -0.187 68.671 68.868 -0.017 0.000 0.865 162 T HN 0.291 nan 8.240 nan 0.000 0.435 163 N N 1.263 119.950 118.700 -0.022 0.000 2.084 163 N HA 0.029 4.778 4.740 0.016 0.000 0.190 163 N C 1.942 177.455 175.510 0.005 0.000 1.030 163 N CA 0.870 53.919 53.050 -0.002 0.000 0.849 163 N CB -0.570 37.917 38.487 0.000 0.000 1.012 163 N HN 0.334 nan 8.380 nan 0.000 0.423 164 L N 0.707 121.918 121.223 -0.021 0.000 2.083 164 L HA -0.183 4.166 4.340 0.016 0.000 0.209 164 L C 2.095 178.992 176.870 0.045 0.000 1.083 164 L CA 1.184 56.019 54.840 -0.008 0.000 0.752 164 L CB -0.445 41.574 42.059 -0.066 0.000 0.899 164 L HN 0.102 nan 8.230 nan 0.000 0.433 165 D N 0.092 120.509 120.400 0.029 0.000 2.092 165 D HA -0.243 4.406 4.640 0.016 0.000 0.193 165 D C 2.329 178.698 176.300 0.114 0.000 0.994 165 D CA 1.357 55.405 54.000 0.079 0.000 0.828 165 D CB 0.056 40.883 40.800 0.044 0.000 0.963 165 D HN 0.051 nan 8.370 nan 0.000 0.450 166 R N -0.258 120.285 120.500 0.072 0.000 2.070 166 R HA -0.105 4.245 4.340 0.016 0.000 0.233 166 R C 2.545 178.897 176.300 0.086 0.000 1.137 166 R CA 1.198 57.338 56.100 0.066 0.000 0.945 166 R CB -0.447 29.879 30.300 0.042 0.000 0.845 166 R HN 0.254 nan 8.270 nan 0.000 0.430 167 L N -0.281 120.997 121.223 0.091 0.000 2.013 167 L HA -0.258 4.091 4.340 0.016 0.000 0.212 167 L C 2.533 179.507 176.870 0.173 0.000 1.073 167 L CA 1.734 56.640 54.840 0.110 0.000 0.753 167 L CB -0.752 41.358 42.059 0.085 0.000 0.890 167 L HN 0.288 nan 8.230 nan 0.000 0.432 168 Y N 0.294 120.629 120.300 0.057 0.000 2.128 168 Y HA -0.274 4.286 4.550 0.015 0.000 0.284 168 Y C 2.299 178.292 175.900 0.156 0.000 1.154 168 Y CA 1.448 59.607 58.100 0.098 0.000 1.149 168 Y CB -0.235 38.253 38.460 0.047 0.000 0.976 168 Y HN -0.040 nan 8.280 nan 0.000 0.505 169 L N 0.631 121.889 121.223 0.059 0.000 2.042 169 L HA -0.253 4.096 4.340 0.016 0.000 0.210 169 L C 2.243 179.083 176.870 -0.051 0.000 1.076 169 L CA 2.204 57.021 54.840 -0.038 0.000 0.749 169 L CB -1.701 40.380 42.059 0.036 0.000 0.893 169 L HN 0.354 nan 8.230 nan 0.000 0.432 170 N N -0.733 117.977 118.700 0.017 0.000 2.270 170 N HA -0.239 4.510 4.740 0.016 0.000 0.181 170 N C 1.842 177.366 175.510 0.022 0.000 1.016 170 N CA 0.806 53.867 53.050 0.018 0.000 0.870 170 N CB -0.250 38.265 38.487 0.047 0.000 0.979 170 N HN 0.262 nan 8.380 nan 0.000 0.431 171 F N 0.898 120.789 119.950 -0.098 0.000 2.171 171 F HA 0.018 4.555 4.527 0.017 0.000 0.300 171 F C 1.681 177.390 175.800 -0.152 0.000 1.090 171 F CA 1.099 59.043 58.000 -0.094 0.000 1.293 171 F CB -0.187 38.779 39.000 -0.057 0.000 1.013 171 F HN 0.051 nan 8.300 nan 0.000 0.486 172 L N -0.269 120.790 121.223 -0.273 0.000 2.141 172 L HA -0.190 4.159 4.340 0.016 0.000 0.209 172 L C 2.356 179.058 176.870 -0.279 0.000 1.094 172 L CA 1.370 56.001 54.840 -0.349 0.000 0.763 172 L CB -0.600 41.275 42.059 -0.306 0.000 0.908 172 L HN 0.082 nan 8.230 nan 0.000 0.437 173 K N 0.336 120.618 120.400 -0.197 0.000 2.005 173 K HA 0.023 4.352 4.320 0.016 0.000 0.206 173 K C 0.285 176.790 176.600 -0.158 0.000 1.044 173 K CA 0.964 57.166 56.287 -0.142 0.000 0.942 173 K CB 0.187 32.635 32.500 -0.086 0.000 0.727 173 K HN 0.283 nan 8.250 nan 0.000 0.439 174 N N 0.664 119.275 118.700 -0.149 0.000 2.696 174 N HA 0.171 4.921 4.740 0.016 0.000 0.246 174 N C -2.515 172.896 175.510 -0.165 0.000 1.057 174 N CA -1.243 51.728 53.050 -0.132 0.000 0.867 174 N CB 1.920 40.370 38.487 -0.062 0.000 1.141 174 N HN -0.077 nan 8.380 nan 0.000 0.517 175 P HA -0.102 nan 4.420 nan 0.000 0.226 175 P C 1.041 178.325 177.300 -0.027 0.000 1.146 175 P CA 0.991 63.835 63.100 -0.426 0.000 0.773 175 P CB 0.243 31.610 31.700 -0.555 0.000 0.772 176 M N -1.521 118.058 119.600 -0.034 0.000 2.394 176 M HA -0.013 4.476 4.480 0.016 0.000 0.266 176 M C 1.177 177.506 176.300 0.048 0.000 1.098 176 M CA 1.208 56.513 55.300 0.008 0.000 1.149 176 M CB -1.408 31.171 32.600 -0.035 0.000 1.369 176 M HN -0.104 nan 8.290 nan 0.000 0.450 177 D N 1.595 122.023 120.400 0.046 0.000 2.191 177 D HA -0.205 4.444 4.640 0.016 0.000 0.195 177 D C 1.812 178.160 176.300 0.080 0.000 1.003 177 D CA 1.535 55.568 54.000 0.054 0.000 0.867 177 D CB -0.504 40.327 40.800 0.051 0.000 0.926 177 D HN 0.560 nan 8.370 nan 0.000 0.450 178 I N -1.520 119.135 120.570 0.142 0.000 2.286 178 I HA -0.201 3.978 4.170 0.016 0.000 0.248 178 I C 1.944 178.101 176.117 0.068 0.000 1.115 178 I CA 1.331 62.712 61.300 0.135 0.000 1.392 178 I CB -0.704 37.423 38.000 0.212 0.000 1.065 178 I HN -0.062 nan 8.210 nan 0.000 0.418 179 L N 1.105 122.363 121.223 0.058 0.000 2.275 179 L HA -0.090 4.259 4.340 0.016 0.000 0.215 179 L C 2.321 179.172 176.870 -0.031 0.000 1.119 179 L CA 0.986 55.812 54.840 -0.024 0.000 0.790 179 L CB -1.079 40.982 42.059 0.003 0.000 0.919 179 L HN 0.351 nan 8.230 nan 0.000 0.443 180 N N 0.191 118.890 118.700 -0.002 0.000 2.188 180 N HA -0.107 4.642 4.740 0.016 0.000 0.184 180 N C 1.932 177.438 175.510 -0.007 0.000 1.018 180 N CA 1.254 54.302 53.050 -0.004 0.000 0.858 180 N CB -0.123 38.368 38.487 0.006 0.000 0.989 180 N HN 0.346 nan 8.380 nan 0.000 0.426 181 L N 0.485 121.709 121.223 0.001 0.000 2.217 181 L HA -0.031 4.319 4.340 0.016 0.000 0.211 181 L C 2.210 179.071 176.870 -0.015 0.000 1.107 181 L CA 0.295 55.137 54.840 0.003 0.000 0.783 181 L CB -0.062 42.010 42.059 0.022 0.000 0.919 181 L HN -0.073 nan 8.230 nan 0.000 0.442 182 V N -0.281 119.603 119.914 -0.051 0.000 2.307 182 V HA -0.242 3.888 4.120 0.016 0.000 0.245 182 V C 2.595 178.641 176.094 -0.079 0.000 1.045 182 V CA 1.608 63.842 62.300 -0.110 0.000 1.024 182 V CB -0.498 31.131 31.823 -0.323 0.000 0.651 182 V HN 0.399 nan 8.190 nan 0.000 0.449 183 R N 0.122 120.581 120.500 -0.068 0.000 2.082 183 R HA -0.193 4.157 4.340 0.016 0.000 0.234 183 R C 2.076 178.369 176.300 -0.013 0.000 1.136 183 R CA 1.934 58.014 56.100 -0.034 0.000 0.935 183 R CB -0.704 29.582 30.300 -0.023 0.000 0.842 183 R HN 0.504 nan 8.270 nan 0.000 0.430 184 D N 0.221 120.615 120.400 -0.010 0.000 2.228 184 D HA -0.122 4.528 4.640 0.016 0.000 0.203 184 D C 0.834 177.133 176.300 -0.001 0.000 0.988 184 D CA 1.098 55.096 54.000 -0.002 0.000 0.864 184 D CB -0.184 40.616 40.800 0.000 0.000 0.928 184 D HN 0.307 nan 8.370 nan 0.000 0.469 185 N N -0.318 118.381 118.700 -0.002 0.000 2.235 185 N HA 0.092 4.841 4.740 0.016 0.000 0.231 185 N C 0.081 175.596 175.510 0.007 0.000 1.177 185 N CA -0.100 52.951 53.050 0.002 0.000 0.874 185 N CB 1.314 39.805 38.487 0.006 0.000 1.097 185 N HN 0.236 nan 8.380 nan 0.000 0.518 186 M N 0.927 120.535 119.600 0.014 0.000 2.478 186 M HA 0.426 4.916 4.480 0.016 0.000 0.327 186 M C -0.847 175.482 176.300 0.048 0.000 1.187 186 M CA -0.565 54.763 55.300 0.045 0.000 1.022 186 M CB 1.623 34.260 32.600 0.061 0.000 1.629 186 M HN -0.154 nan 8.290 nan 0.000 0.461 187 I N 5.237 125.852 120.570 0.076 0.000 2.347 187 I HA 0.172 4.351 4.170 0.016 0.000 0.294 187 I C -0.700 175.509 176.117 0.154 0.000 1.090 187 I CA 0.054 61.385 61.300 0.052 0.000 1.314 187 I CB -0.224 37.749 38.000 -0.045 0.000 1.423 187 I HN 0.598 nan 8.210 nan 0.000 0.503 188 L N 4.258 125.544 121.223 0.104 0.000 2.230 188 L HA 0.686 5.036 4.340 0.016 0.000 0.255 188 L C 1.238 178.169 176.870 0.101 0.000 1.039 188 L CA -0.762 54.147 54.840 0.114 0.000 0.846 188 L CB 1.508 43.609 42.059 0.071 0.000 1.419 188 L HN 0.700 nan 8.230 nan 0.000 0.435 189 G N 0.314 109.169 108.800 0.090 0.000 2.168 189 G HA2 -0.207 3.763 3.960 0.016 0.000 0.263 189 G HA3 -0.207 3.763 3.960 0.016 0.000 0.263 189 G C -0.181 174.775 174.900 0.093 0.000 0.977 189 G CA 0.401 45.547 45.100 0.076 0.000 0.659 189 G HN 0.709 nan 8.290 nan 0.000 0.533 190 V N -3.655 116.343 119.914 0.140 0.000 3.019 190 V HA 0.852 4.981 4.120 0.016 0.000 0.317 190 V C 0.558 176.761 176.094 0.181 0.000 1.094 190 V CA -1.823 60.571 62.300 0.157 0.000 1.000 190 V CB 1.494 33.432 31.823 0.191 0.000 1.060 190 V HN 0.300 nan 8.190 nan 0.000 0.443 191 R N 0.957 121.550 120.500 0.154 0.000 2.491 191 R HA 0.651 5.001 4.340 0.016 0.000 0.283 191 R C -0.736 175.666 176.300 0.170 0.000 1.072 191 R CA -0.113 56.066 56.100 0.131 0.000 1.048 191 R CB 1.418 31.772 30.300 0.090 0.000 0.983 191 R HN 0.664 nan 8.270 nan 0.000 0.450 192 V N 2.330 122.300 119.914 0.093 0.000 3.078 192 V HA 0.445 4.575 4.120 0.016 0.000 0.311 192 V C -1.358 174.702 176.094 -0.058 0.000 1.138 192 V CA -0.883 61.418 62.300 0.002 0.000 1.007 192 V CB 2.484 34.269 31.823 -0.063 0.000 1.045 192 V HN 0.742 nan 8.190 nan 0.000 0.432 193 K N 4.520 124.845 120.400 -0.125 0.000 2.345 193 K HA 0.664 4.994 4.320 0.016 0.000 0.255 193 K C -1.639 174.800 176.600 -0.268 0.000 0.934 193 K CA -0.494 55.691 56.287 -0.170 0.000 0.801 193 K CB 1.581 34.022 32.500 -0.099 0.000 1.137 193 K HN 0.458 nan 8.250 nan 0.000 0.424 194 I N 5.432 125.710 120.570 -0.487 0.000 2.362 194 I HA 0.307 4.486 4.170 0.016 0.000 0.289 194 I C -1.004 174.885 176.117 -0.380 0.000 0.994 194 I CA -0.983 60.002 61.300 -0.524 0.000 1.158 194 I CB 0.910 38.292 38.000 -1.030 0.000 1.315 194 I HN 0.590 nan 8.210 nan 0.000 0.451 195 L N 6.459 127.577 121.223 -0.175 0.000 2.280 195 L HA 0.752 5.101 4.340 0.016 0.000 0.287 195 L C 0.740 177.589 176.870 -0.035 0.000 1.023 195 L CA 0.340 55.124 54.840 -0.092 0.000 0.819 195 L CB 1.326 43.353 42.059 -0.053 0.000 1.212 195 L HN 0.805 nan 8.230 nan 0.000 0.420 196 G N 1.089 109.881 108.800 -0.013 0.000 3.420 196 G HA2 0.087 4.056 3.960 0.016 0.000 0.183 196 G HA3 0.087 4.056 3.960 0.016 0.000 0.183 196 G C -0.926 173.996 174.900 0.037 0.000 1.315 196 G CA -0.214 44.905 45.100 0.032 0.000 0.958 196 G HN 0.358 nan 8.290 nan 0.000 0.745 197 D N 1.261 121.695 120.400 0.056 0.000 2.402 197 D HA 0.480 5.129 4.640 0.016 0.000 0.235 197 D C 1.066 177.403 176.300 0.060 0.000 1.226 197 D CA 1.483 55.513 54.000 0.050 0.000 0.918 197 D CB -0.107 40.723 40.800 0.050 0.000 1.043 197 D HN 1.042 nan 8.370 nan 0.000 0.506 198 G N 2.788 111.614 108.800 0.044 0.000 2.498 198 G HA2 -0.004 3.965 3.960 0.016 0.000 0.245 198 G HA3 -0.004 3.965 3.960 0.016 0.000 0.245 198 G C -0.454 174.471 174.900 0.042 0.000 1.204 198 G CA 0.124 45.253 45.100 0.048 0.000 0.933 198 G HN 1.555 nan 8.290 nan 0.000 0.574 199 S N -1.469 114.274 115.700 0.073 0.000 2.686 199 S HA 0.807 5.287 4.470 0.016 0.000 0.273 199 S C -0.885 173.789 174.600 0.124 0.000 1.060 199 S CA 0.201 58.407 58.200 0.010 0.000 0.845 199 S CB 1.571 64.740 63.200 -0.052 0.000 1.086 199 S HN 2.475 nan 8.310 nan 0.000 0.461 200 F N -1.026 118.924 119.950 -0.001 0.000 2.711 200 F HA 0.941 5.478 4.527 0.017 0.000 0.313 200 F C -1.050 174.745 175.800 -0.008 0.000 1.141 200 F CA -0.930 57.067 58.000 -0.006 0.000 0.941 200 F CB 0.940 39.933 39.000 -0.011 0.000 1.349 200 F HN 0.748 nan 8.300 nan 0.000 0.464 201 E N 0.007 120.360 120.200 0.255 0.000 2.336 201 E HA 0.784 5.144 4.350 0.016 0.000 0.267 201 E C -0.572 176.152 176.600 0.206 0.000 0.906 201 E CA -1.249 55.230 56.400 0.131 0.000 0.781 201 E CB 2.613 32.354 29.700 0.069 0.000 1.261 201 E HN 1.150 nan 8.360 nan 0.000 0.436 202 G N 0.512 109.391 108.800 0.132 0.000 2.317 202 G HA2 0.202 4.172 3.960 0.016 0.000 0.293 202 G HA3 0.202 4.172 3.960 0.016 0.000 0.293 202 G C -1.789 173.165 174.900 0.089 0.000 1.287 202 G CA -0.978 44.192 45.100 0.117 0.000 0.850 202 G HN 0.506 nan 8.290 nan 0.000 0.515 203 I N 0.990 121.605 120.570 0.075 0.000 2.342 203 I HA 0.639 4.818 4.170 0.016 0.000 0.291 203 I C 0.677 176.831 176.117 0.060 0.000 1.010 203 I CA -0.877 60.466 61.300 0.072 0.000 1.308 203 I CB 1.189 39.225 38.000 0.059 0.000 1.400 203 I HN 0.827 nan 8.210 nan 0.000 0.488 204 A N 6.198 129.060 122.820 0.070 0.000 2.437 204 A HA 0.240 4.570 4.320 0.016 0.000 0.303 204 A C 0.651 178.263 177.584 0.046 0.000 1.324 204 A CA -0.219 51.841 52.037 0.038 0.000 0.983 204 A CB 0.017 19.054 19.000 0.061 0.000 1.142 204 A HN 0.941 nan 8.150 nan 0.000 0.541 205 E N 0.813 121.025 120.200 0.020 0.000 2.276 205 E HA 0.086 4.445 4.350 0.016 0.000 0.193 205 E C -0.008 176.601 176.600 0.016 0.000 0.983 205 E CA 0.664 57.077 56.400 0.023 0.000 0.861 205 E CB 0.336 30.045 29.700 0.016 0.000 0.817 205 E HN 0.858 nan 8.360 nan 0.000 0.485 206 D N -1.460 118.940 120.400 -0.001 0.000 2.871 206 D HA 0.105 4.755 4.640 0.016 0.000 0.330 206 D C -1.779 174.510 176.300 -0.018 0.000 1.364 206 D CA -0.638 53.361 54.000 -0.001 0.000 0.759 206 D CB 0.495 41.298 40.800 0.006 0.000 1.325 206 D HN -0.014 nan 8.370 nan 0.000 0.452 207 I N -0.484 120.083 120.570 -0.004 0.000 2.474 207 I HA 0.641 4.820 4.170 0.016 0.000 0.294 207 I C 0.015 176.159 176.117 0.046 0.000 1.005 207 I CA -0.878 60.432 61.300 0.017 0.000 1.113 207 I CB 1.634 39.640 38.000 0.011 0.000 1.289 207 I HN 0.267 nan 8.210 nan 0.000 0.436 208 D N 3.501 123.956 120.400 0.092 0.000 2.425 208 D HA 0.004 4.653 4.640 0.016 0.000 0.274 208 D C 0.602 176.990 176.300 0.147 0.000 1.242 208 D CA -0.279 53.793 54.000 0.121 0.000 1.060 208 D CB 0.216 41.110 40.800 0.156 0.000 1.112 208 D HN 0.722 nan 8.370 nan 0.000 0.561 209 D N -1.507 118.991 120.400 0.163 0.000 2.371 209 D HA -0.106 4.544 4.640 0.016 0.000 0.234 209 D C 0.463 176.720 176.300 -0.072 0.000 1.049 209 D CA 0.200 54.229 54.000 0.048 0.000 0.907 209 D CB -0.556 40.244 40.800 0.001 0.000 0.891 209 D HN 0.284 nan 8.370 nan 0.000 0.531 210 F N -0.546 119.470 119.950 0.110 0.000 2.746 210 F HA 0.363 4.899 4.527 0.015 0.000 0.320 210 F C 1.950 177.895 175.800 0.241 0.000 1.097 210 F CA -0.011 58.078 58.000 0.147 0.000 1.195 210 F CB 1.085 40.151 39.000 0.110 0.000 1.056 210 F HN 0.136 nan 8.300 nan 0.000 0.562 211 G N 1.049 110.075 108.800 0.377 0.000 2.179 211 G HA2 -0.311 3.658 3.960 0.016 0.000 0.260 211 G HA3 -0.311 3.658 3.960 0.016 0.000 0.260 211 G C 0.529 175.769 174.900 0.566 0.000 0.977 211 G CA -0.331 45.057 45.100 0.481 0.000 0.641 211 G HN 0.305 nan 8.290 nan 0.000 0.533 212 R N -0.390 120.355 120.500 0.407 0.000 2.491 212 R HA 0.469 4.819 4.340 0.016 0.000 0.283 212 R C 0.333 176.675 176.300 0.070 0.000 1.072 212 R CA -0.651 55.626 56.100 0.295 0.000 1.048 212 R CB 0.832 31.237 30.300 0.176 0.000 0.983 212 R HN 0.227 nan 8.270 nan 0.000 0.450 213 L N 4.298 125.366 121.223 -0.260 0.000 2.367 213 L HA 0.198 4.547 4.340 0.016 0.000 0.275 213 L C -0.575 176.138 176.870 -0.261 0.000 1.129 213 L CA 0.193 54.731 54.840 -0.503 0.000 0.839 213 L CB 0.649 41.933 42.059 -1.292 0.000 1.133 213 L HN 0.440 nan 8.230 nan 0.000 0.453 214 I N 6.908 127.391 120.570 -0.144 0.000 2.297 214 I HA 0.264 4.443 4.170 0.016 0.000 0.291 214 I C -0.159 175.929 176.117 -0.049 0.000 1.033 214 I CA -0.359 60.898 61.300 -0.071 0.000 1.253 214 I CB 0.782 38.763 38.000 -0.031 0.000 1.396 214 I HN 0.400 nan 8.210 nan 0.000 0.476 215 I N 6.539 127.099 120.570 -0.018 0.000 2.377 215 I HA 0.374 4.554 4.170 0.016 0.000 0.293 215 I C 0.427 176.555 176.117 0.019 0.000 0.987 215 I CA -0.673 60.651 61.300 0.040 0.000 1.185 215 I CB 1.614 39.731 38.000 0.195 0.000 1.341 215 I HN 0.420 nan 8.210 nan 0.000 0.455 216 R N 6.068 126.584 120.500 0.026 0.000 2.246 216 R HA 0.438 4.787 4.340 0.016 0.000 0.332 216 R C -1.134 175.179 176.300 0.022 0.000 0.974 216 R CA -0.819 55.285 56.100 0.007 0.000 0.837 216 R CB 0.871 31.177 30.300 0.009 0.000 1.145 216 R HN 0.414 nan 8.270 nan 0.000 0.467 217 L N 3.209 124.431 121.223 -0.002 0.000 2.453 217 L HA 0.073 4.422 4.340 0.016 0.000 0.261 217 L C 1.593 178.469 176.870 0.011 0.000 1.179 217 L CA 0.378 55.226 54.840 0.014 0.000 0.813 217 L CB 0.697 42.739 42.059 -0.029 0.000 1.110 217 L HN 0.570 nan 8.230 nan 0.000 0.466 218 D N -0.280 120.134 120.400 0.023 0.000 2.190 218 D HA -0.182 4.468 4.640 0.016 0.000 0.200 218 D C 1.872 178.176 176.300 0.005 0.000 0.992 218 D CA 1.739 55.749 54.000 0.018 0.000 0.854 218 D CB -0.006 40.808 40.800 0.023 0.000 0.936 218 D HN 0.683 nan 8.370 nan 0.000 0.462 219 S N -0.813 114.885 115.700 -0.003 0.000 2.603 219 S HA 0.151 4.630 4.470 0.016 0.000 0.229 219 S C 1.777 176.367 174.600 -0.016 0.000 0.972 219 S CA 0.912 59.105 58.200 -0.011 0.000 0.935 219 S CB 0.025 63.212 63.200 -0.021 0.000 0.769 219 S HN 0.375 nan 8.310 nan 0.000 0.536 220 G N 0.940 109.731 108.800 -0.015 0.000 2.199 220 G HA2 -0.329 3.640 3.960 0.016 0.000 0.254 220 G HA3 -0.329 3.640 3.960 0.016 0.000 0.254 220 G C -0.126 174.756 174.900 -0.030 0.000 0.982 220 G CA 0.268 45.358 45.100 -0.017 0.000 0.632 220 G HN 0.824 nan 8.290 nan 0.000 0.529 221 E N 0.460 120.633 120.200 -0.045 0.000 2.392 221 E HA 0.423 4.783 4.350 0.016 0.000 0.264 221 E C -0.162 176.388 176.600 -0.083 0.000 1.024 221 E CA -0.327 56.031 56.400 -0.070 0.000 0.903 221 E CB 0.802 30.444 29.700 -0.097 0.000 0.963 221 E HN 0.209 nan 8.360 nan 0.000 0.432 222 V N 5.147 125.010 119.914 -0.086 0.000 2.417 222 V HA 0.348 4.477 4.120 0.016 0.000 0.291 222 V C -0.089 175.933 176.094 -0.120 0.000 1.024 222 V CA -0.673 61.577 62.300 -0.083 0.000 0.861 222 V CB 1.506 33.298 31.823 -0.051 0.000 0.985 222 V HN 0.663 nan 8.190 nan 0.000 0.436 223 K N 3.403 123.716 120.400 -0.145 0.000 2.267 223 K HA 0.651 4.981 4.320 0.016 0.000 0.246 223 K C -0.917 175.635 176.600 -0.079 0.000 0.954 223 K CA -0.970 55.213 56.287 -0.174 0.000 0.824 223 K CB 2.453 34.715 32.500 -0.397 0.000 1.167 223 K HN 0.528 nan 8.250 nan 0.000 0.431 224 K N 1.847 122.212 120.400 -0.059 0.000 2.394 224 K HA 0.314 4.643 4.320 0.016 0.000 0.260 224 K C -0.898 175.698 176.600 -0.007 0.000 0.967 224 K CA -0.703 55.562 56.287 -0.037 0.000 0.855 224 K CB 1.805 34.283 32.500 -0.036 0.000 1.101 224 K HN 0.190 nan 8.250 nan 0.000 0.433 225 V N 4.953 124.839 119.914 -0.048 0.000 2.407 225 V HA 0.339 4.468 4.120 0.016 0.000 0.278 225 V C 0.110 176.259 176.094 0.091 0.000 1.037 225 V CA -0.768 61.516 62.300 -0.027 0.000 0.900 225 V CB 1.169 32.839 31.823 -0.255 0.000 0.983 225 V HN 0.713 nan 8.190 nan 0.000 0.459 226 I N 5.614 126.315 120.570 0.220 0.000 2.412 226 I HA 0.473 4.652 4.170 0.016 0.000 0.296 226 I C -0.399 175.989 176.117 0.451 0.000 0.987 226 I CA -0.946 60.525 61.300 0.286 0.000 1.180 226 I CB 1.414 39.467 38.000 0.089 0.000 1.340 226 I HN 0.779 nan 8.210 nan 0.000 0.455 227 Y N 6.434 127.010 120.300 0.460 0.000 2.377 227 Y HA 0.748 5.308 4.550 0.017 0.000 0.330 227 Y C 0.203 176.145 175.900 0.070 0.000 1.108 227 Y CA -0.182 58.029 58.100 0.185 0.000 1.308 227 Y CB 0.664 38.980 38.460 -0.240 0.000 1.216 227 Y HN 0.643 nan 8.280 nan 0.000 0.518 228 G N 2.161 111.112 108.800 0.253 0.000 2.947 228 G HA2 0.043 4.013 3.960 0.016 0.000 0.115 228 G HA3 0.043 4.013 3.960 0.016 0.000 0.115 228 G C -1.145 173.819 174.900 0.107 0.000 1.214 228 G CA -0.535 44.650 45.100 0.141 0.000 1.324 228 G HN 0.491 nan 8.290 nan 0.000 0.645 229 D N 1.600 122.046 120.400 0.076 0.000 2.713 229 D HA 0.395 5.044 4.640 0.016 0.000 0.229 229 D C -0.473 175.868 176.300 0.068 0.000 1.136 229 D CA 0.444 54.476 54.000 0.053 0.000 1.010 229 D CB 1.254 42.075 40.800 0.036 0.000 1.084 229 D HN 0.255 nan 8.370 nan 0.000 0.495 230 V N -0.195 119.772 119.914 0.089 0.000 3.049 230 V HA 0.603 4.733 4.120 0.016 0.000 0.309 230 V C -1.274 174.875 176.094 0.092 0.000 1.148 230 V CA -0.530 61.838 62.300 0.112 0.000 0.990 230 V CB 2.575 34.528 31.823 0.217 0.000 1.039 230 V HN 0.173 nan 8.190 nan 0.000 0.430 231 S N 4.783 120.525 115.700 0.069 0.000 2.538 231 S HA 0.737 5.217 4.470 0.016 0.000 0.288 231 S C -1.329 173.291 174.600 0.034 0.000 1.108 231 S CA -0.572 57.654 58.200 0.043 0.000 0.971 231 S CB 1.543 64.748 63.200 0.009 0.000 1.041 231 S HN 1.013 nan 8.310 nan 0.000 0.483 232 L N 4.649 125.896 121.223 0.039 0.000 2.334 232 L HA 0.765 5.114 4.340 0.016 0.000 0.276 232 L C -0.715 176.066 176.870 -0.148 0.000 1.014 232 L CA -0.525 54.291 54.840 -0.041 0.000 0.815 232 L CB 1.201 43.297 42.059 0.060 0.000 1.268 232 L HN 0.759 nan 8.230 nan 0.000 0.428 233 R N 3.603 123.971 120.500 -0.220 0.000 2.621 233 R HA 0.473 4.822 4.340 0.016 0.000 0.284 233 R C -1.567 174.588 176.300 -0.242 0.000 0.998 233 R CA -0.651 55.339 56.100 -0.184 0.000 0.895 233 R CB 1.951 32.214 30.300 -0.062 0.000 1.195 233 R HN 0.372 nan 8.270 nan 0.000 0.450 234 F N 1.980 121.981 119.950 0.085 0.000 2.371 234 F HA 0.300 4.839 4.527 0.019 0.000 0.329 234 F C 0.706 176.515 175.800 0.014 0.000 1.107 234 F CA -0.681 57.363 58.000 0.074 0.000 1.137 234 F CB 0.677 39.756 39.000 0.132 0.000 1.214 234 F HN 0.305 nan 8.300 nan 0.000 0.536 235 L N 0.000 121.342 121.223 0.199 0.000 2.949 235 L HA 0.000 4.349 4.340 0.016 0.000 0.249 235 L CA 0.000 54.892 54.840 0.087 0.000 0.813 235 L CB 0.000 42.100 42.059 0.068 0.000 0.961 235 L HN 0.000 nan 8.230 nan 0.000 0.502