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_B DATA FIRST_RESID 1 DATA SEQUENCE MLGLKTSIIG RRVIYFQEIT STNEFAKTSY LEEGTVIVAD KQTMGHGALN DATA SEQUENCE XKWESPEGGL 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 0.000 176.294 176.300 -0.010 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.012 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.024 0.000 1.302 2 L N 1.579 122.801 121.223 -0.002 0.000 2.313 2 L HA 0.413 4.752 4.340 -0.001 0.000 0.214 2 L C 1.431 178.320 176.870 0.031 0.000 1.119 2 L CA 1.039 55.887 54.840 0.012 0.000 0.809 2 L CB -0.453 41.624 42.059 0.030 0.000 0.933 2 L HN 0.871 nan 8.230 nan 0.000 0.449 3 G N 1.395 110.211 108.800 0.027 0.000 2.305 3 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.287 3 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.287 3 G C 0.180 175.103 174.900 0.038 0.000 1.036 3 G CA -0.090 45.027 45.100 0.028 0.000 0.887 3 G HN 0.237 nan 8.290 nan 0.000 0.505 4 L N -1.134 120.120 121.223 0.052 0.000 2.426 4 L HA 0.296 4.635 4.340 -0.001 0.000 0.271 4 L C 1.403 178.295 176.870 0.037 0.000 1.169 4 L CA 0.249 55.121 54.840 0.054 0.000 0.836 4 L CB 0.790 42.894 42.059 0.075 0.000 1.112 4 L HN 0.177 nan 8.230 nan 0.000 0.465 5 K N 0.564 120.981 120.400 0.028 0.000 2.455 5 K HA 0.124 4.443 4.320 -0.001 0.000 0.206 5 K C 0.283 176.896 176.600 0.021 0.000 1.027 5 K CA -0.188 56.112 56.287 0.023 0.000 1.113 5 K CB 0.500 33.011 32.500 0.018 0.000 0.850 5 K HN 0.744 nan 8.250 nan 0.000 0.503 6 T N -2.029 112.538 114.554 0.021 0.000 2.860 6 T HA 0.110 4.459 4.350 -0.001 0.000 0.299 6 T C 1.221 175.940 174.700 0.031 0.000 1.045 6 T CA -0.446 61.667 62.100 0.021 0.000 1.071 6 T CB 1.611 70.486 68.868 0.010 0.000 0.985 6 T HN -0.143 nan 8.240 nan 0.000 0.537 7 S N 0.532 116.256 115.700 0.040 0.000 2.371 7 S HA 0.159 4.628 4.470 -0.001 0.000 0.221 7 S C 1.648 176.285 174.600 0.061 0.000 1.036 7 S CA 0.369 58.598 58.200 0.048 0.000 0.965 7 S CB -0.311 62.919 63.200 0.050 0.000 0.845 7 S HN 0.707 nan 8.310 nan 0.000 0.475 8 I N 0.044 120.663 120.570 0.082 0.000 3.518 8 I HA 0.257 4.426 4.170 -0.001 0.000 0.260 8 I C -0.157 175.990 176.117 0.052 0.000 1.148 8 I CA 0.069 61.426 61.300 0.095 0.000 1.440 8 I CB 0.164 38.281 38.000 0.194 0.000 1.485 8 I HN 0.038 nan 8.210 nan 0.000 0.456 9 I N 2.696 123.285 120.570 0.033 0.000 2.494 9 I HA 0.135 4.305 4.170 -0.001 0.000 0.289 9 I C 0.987 177.094 176.117 -0.017 0.000 1.106 9 I CA 0.713 61.995 61.300 -0.031 0.000 1.369 9 I CB 0.132 38.084 38.000 -0.079 0.000 1.410 9 I HN 0.586 nan 8.210 nan 0.000 0.523 10 G N 5.192 113.996 108.800 0.006 0.000 2.184 10 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.206 10 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.206 10 G C 1.067 176.002 174.900 0.059 0.000 0.995 10 G CA -0.269 44.857 45.100 0.044 0.000 0.651 10 G HN 0.628 nan 8.290 nan 0.000 0.511 11 R N -0.336 120.191 120.500 0.045 0.000 2.127 11 R HA 0.038 4.377 4.340 -0.001 0.000 0.238 11 R C 1.202 177.533 176.300 0.053 0.000 1.134 11 R CA 1.212 57.340 56.100 0.046 0.000 0.975 11 R CB -0.004 30.321 30.300 0.041 0.000 0.865 11 R HN 0.368 nan 8.270 nan 0.000 0.447 12 R N -0.296 120.239 120.500 0.059 0.000 2.725 12 R HA 0.457 4.796 4.340 -0.001 0.000 0.277 12 R C -1.540 174.818 176.300 0.096 0.000 0.987 12 R CA -0.673 55.468 56.100 0.068 0.000 0.901 12 R CB 2.930 33.264 30.300 0.057 0.000 1.207 12 R HN -0.162 nan 8.270 nan 0.000 0.463 13 V N 4.080 124.057 119.914 0.104 0.000 2.623 13 V HA 0.469 4.588 4.120 -0.001 0.000 0.304 13 V C -0.454 175.705 176.094 0.107 0.000 1.054 13 V CA -0.666 61.717 62.300 0.139 0.000 0.882 13 V CB 2.167 34.090 31.823 0.168 0.000 1.002 13 V HN 0.610 nan 8.190 nan 0.000 0.424 14 I N 5.222 125.874 120.570 0.136 0.000 2.354 14 I HA 0.389 4.559 4.170 -0.001 0.000 0.286 14 I C -0.958 175.230 176.117 0.118 0.000 1.007 14 I CA -0.667 60.678 61.300 0.076 0.000 1.167 14 I CB 1.192 39.264 38.000 0.120 0.000 1.320 14 I HN 0.682 nan 8.210 nan 0.000 0.458 15 Y N 7.819 128.048 120.300 -0.118 0.000 2.342 15 Y HA 0.611 5.161 4.550 -0.000 0.000 0.334 15 Y C -1.586 174.206 175.900 -0.181 0.000 1.067 15 Y CA -0.794 57.268 58.100 -0.063 0.000 1.128 15 Y CB 0.999 39.386 38.460 -0.120 0.000 1.200 15 Y HN 0.301 nan 8.280 nan 0.000 0.464 16 F N 4.432 123.800 119.950 -0.970 0.000 2.529 16 F HA 0.350 4.877 4.527 -0.001 0.000 0.320 16 F C 1.022 176.224 175.800 -0.997 0.000 1.118 16 F CA -0.675 56.815 58.000 -0.850 0.000 0.915 16 F CB 2.299 41.022 39.000 -0.462 0.000 1.161 16 F HN 0.599 nan 8.300 nan 0.000 0.445 17 Q N 0.796 120.272 119.800 -0.539 0.000 2.124 17 Q HA -0.107 4.232 4.340 -0.001 0.000 0.202 17 Q C 0.094 176.060 176.000 -0.056 0.000 0.977 17 Q CA 1.409 57.088 55.803 -0.207 0.000 0.850 17 Q CB 0.350 29.052 28.738 -0.060 0.000 0.901 17 Q HN 0.656 nan 8.270 nan 0.000 0.429 18 E N -0.518 119.664 120.200 -0.031 0.000 2.366 18 E HA 0.589 4.939 4.350 -0.001 0.000 0.278 18 E C -1.832 174.744 176.600 -0.039 0.000 0.923 18 E CA -0.380 56.013 56.400 -0.011 0.000 0.761 18 E CB 1.836 31.535 29.700 -0.001 0.000 1.231 18 E HN 0.060 nan 8.360 nan 0.000 0.443 19 I N 1.675 122.178 120.570 -0.113 0.000 3.093 19 I HA 0.234 4.404 4.170 -0.001 0.000 0.308 19 I C 1.065 177.094 176.117 -0.147 0.000 1.303 19 I CA -0.314 60.846 61.300 -0.233 0.000 0.975 19 I CB 2.238 39.898 38.000 -0.568 0.000 1.286 19 I HN 0.829 nan 8.210 nan 0.000 0.459 20 T N 0.660 115.140 114.554 -0.123 0.000 2.698 20 T HA 0.045 4.394 4.350 -0.001 0.000 0.260 20 T C 0.654 175.322 174.700 -0.052 0.000 1.044 20 T CA 0.872 62.937 62.100 -0.059 0.000 1.149 20 T CB -0.149 68.705 68.868 -0.022 0.000 0.864 20 T HN 0.491 nan 8.240 nan 0.000 0.419 21 S N 0.105 115.768 115.700 -0.062 0.000 2.562 21 S HA 0.427 4.896 4.470 -0.001 0.000 0.274 21 S C 0.817 175.372 174.600 -0.076 0.000 1.160 21 S CA -0.012 58.164 58.200 -0.040 0.000 0.933 21 S CB 1.491 64.753 63.200 0.104 0.000 1.100 21 S HN 0.538 nan 8.310 nan 0.000 0.468 22 T N 2.737 117.227 114.554 -0.107 0.000 2.867 22 T HA -0.063 4.286 4.350 -0.001 0.000 0.268 22 T C 1.417 176.117 174.700 0.001 0.000 1.057 22 T CA 1.507 63.555 62.100 -0.086 0.000 1.136 22 T CB -0.551 68.288 68.868 -0.048 0.000 0.874 22 T HN 0.517 nan 8.240 nan 0.000 0.466 23 N N 1.310 119.987 118.700 -0.038 0.000 2.142 23 N HA -0.025 4.714 4.740 -0.001 0.000 0.186 23 N C 1.915 177.448 175.510 0.039 0.000 1.023 23 N CA 1.179 54.214 53.050 -0.026 0.000 0.852 23 N CB -0.362 38.062 38.487 -0.105 0.000 0.998 23 N HN 0.444 nan 8.380 nan 0.000 0.424 24 E N -0.193 120.057 120.200 0.083 0.000 2.077 24 E HA -0.094 4.255 4.350 -0.001 0.000 0.193 24 E C 1.637 178.271 176.600 0.057 0.000 0.989 24 E CA 0.827 57.274 56.400 0.078 0.000 0.800 24 E CB -0.432 29.322 29.700 0.090 0.000 0.746 24 E HN 0.380 nan 8.360 nan 0.000 0.452 25 F N 0.458 120.367 119.950 -0.068 0.000 2.134 25 F HA -0.102 4.424 4.527 -0.001 0.000 0.299 25 F C 2.029 177.815 175.800 -0.023 0.000 1.097 25 F CA 1.635 59.597 58.000 -0.064 0.000 1.264 25 F CB -0.504 38.398 39.000 -0.162 0.000 1.001 25 F HN 0.101 nan 8.300 nan 0.000 0.479 26 A N 0.084 122.955 122.820 0.085 0.000 1.972 26 A HA -0.169 4.150 4.320 -0.001 0.000 0.219 26 A C 2.210 179.744 177.584 -0.083 0.000 1.169 26 A CA 1.681 53.721 52.037 0.005 0.000 0.635 26 A CB -0.555 18.472 19.000 0.045 0.000 0.810 26 A HN 0.471 nan 8.150 nan 0.000 0.446 27 K N -0.695 119.665 120.400 -0.066 0.000 2.076 27 K HA -0.060 4.259 4.320 -0.001 0.000 0.204 27 K C 1.922 178.471 176.600 -0.086 0.000 1.051 27 K CA 1.594 57.845 56.287 -0.060 0.000 0.949 27 K CB -0.255 32.228 32.500 -0.029 0.000 0.726 27 K HN 0.652 nan 8.250 nan 0.000 0.443 28 T N -1.513 112.964 114.554 -0.128 0.000 3.129 28 T HA 0.108 4.457 4.350 -0.001 0.000 0.251 28 T C 0.623 175.205 174.700 -0.196 0.000 1.117 28 T CA -0.323 61.697 62.100 -0.134 0.000 1.034 28 T CB 0.171 68.971 68.868 -0.113 0.000 0.968 28 T HN -0.168 nan 8.240 nan 0.000 0.526 29 S N 0.774 116.294 115.700 -0.300 0.000 2.503 29 S HA 0.488 4.957 4.470 -0.001 0.000 0.301 29 S C -1.282 173.237 174.600 -0.134 0.000 1.087 29 S CA -0.864 57.152 58.200 -0.307 0.000 1.042 29 S CB 1.046 63.816 63.200 -0.718 0.000 1.043 29 S HN 0.400 nan 8.310 nan 0.000 0.489 30 Y N 3.557 123.791 120.300 -0.111 0.000 2.480 30 Y HA 0.522 5.072 4.550 -0.001 0.000 0.341 30 Y C -0.974 174.910 175.900 -0.027 0.000 1.031 30 Y CA -0.190 57.878 58.100 -0.053 0.000 1.295 30 Y CB -0.128 38.315 38.460 -0.029 0.000 1.162 30 Y HN 0.489 nan 8.280 nan 0.000 0.523 31 L N 5.948 126.743 121.223 -0.714 0.000 2.422 31 L HA 0.406 4.745 4.340 -0.001 0.000 0.264 31 L C -0.423 176.110 176.870 -0.561 0.000 0.984 31 L CA -1.075 53.483 54.840 -0.470 0.000 0.819 31 L CB 2.318 44.270 42.059 -0.179 0.000 1.330 31 L HN 0.539 nan 8.230 nan 0.000 0.410 32 E N 1.245 121.243 120.200 -0.337 0.000 2.408 32 E HA 0.058 4.407 4.350 -0.001 0.000 0.259 32 E C -0.399 176.131 176.600 -0.116 0.000 1.110 32 E CA -0.349 55.934 56.400 -0.196 0.000 0.929 32 E CB 0.963 30.631 29.700 -0.055 0.000 0.971 32 E HN 0.474 nan 8.360 nan 0.000 0.438 33 E N 0.139 120.303 120.200 -0.060 0.000 2.452 33 E HA 0.008 4.357 4.350 -0.001 0.000 0.261 33 E C 0.615 177.203 176.600 -0.020 0.000 0.987 33 E CA 0.863 57.246 56.400 -0.030 0.000 0.926 33 E CB 0.132 29.852 29.700 0.033 0.000 0.934 33 E HN 0.700 nan 8.360 nan 0.000 0.452 34 G N 3.179 111.947 108.800 -0.054 0.000 2.195 34 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.246 34 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.246 34 G C 0.323 175.208 174.900 -0.024 0.000 0.984 34 G CA 0.211 45.283 45.100 -0.047 0.000 0.633 34 G HN 0.635 nan 8.290 nan 0.000 0.525 35 T N 1.334 115.878 114.554 -0.017 0.000 2.888 35 T HA 0.449 4.798 4.350 -0.001 0.000 0.301 35 T C 0.431 175.156 174.700 0.042 0.000 1.001 35 T CA 0.276 62.391 62.100 0.024 0.000 1.147 35 T CB 2.078 70.959 68.868 0.022 0.000 0.931 35 T HN 0.493 nan 8.240 nan 0.000 0.541 36 V N 5.333 125.303 119.914 0.094 0.000 2.435 36 V HA 0.404 4.523 4.120 -0.001 0.000 0.290 36 V C -0.094 176.112 176.094 0.186 0.000 1.030 36 V CA -0.922 61.456 62.300 0.130 0.000 0.881 36 V CB 1.484 33.422 31.823 0.192 0.000 0.983 36 V HN 0.690 nan 8.190 nan 0.000 0.445 37 I N 5.426 126.104 120.570 0.180 0.000 2.339 37 I HA 0.546 4.715 4.170 -0.001 0.000 0.290 37 I C -0.216 176.010 176.117 0.181 0.000 0.994 37 I CA -0.373 61.053 61.300 0.210 0.000 1.191 37 I CB 1.453 39.575 38.000 0.203 0.000 1.343 37 I HN 0.381 nan 8.210 nan 0.000 0.458 38 V N 5.900 125.945 119.914 0.219 0.000 2.841 38 V HA 0.934 5.053 4.120 -0.001 0.000 0.310 38 V C -0.971 175.242 176.094 0.198 0.000 1.090 38 V CA -0.291 62.130 62.300 0.202 0.000 0.930 38 V CB 2.102 34.047 31.823 0.203 0.000 1.014 38 V HN 0.911 nan 8.190 nan 0.000 0.425 39 A N 3.641 126.566 122.820 0.174 0.000 2.475 39 A HA 0.651 4.970 4.320 -0.001 0.000 0.301 39 A C 0.182 177.913 177.584 0.245 0.000 1.059 39 A CA -0.402 51.714 52.037 0.131 0.000 0.710 39 A CB 1.608 20.619 19.000 0.019 0.000 1.288 39 A HN 0.793 nan 8.150 nan 0.000 0.408 40 D N 0.361 120.884 120.400 0.205 0.000 2.144 40 D HA -0.027 4.612 4.640 -0.001 0.000 0.199 40 D C 0.509 177.027 176.300 0.363 0.000 0.984 40 D CA 1.662 55.809 54.000 0.245 0.000 0.834 40 D CB 0.322 41.245 40.800 0.204 0.000 0.955 40 D HN 0.578 nan 8.370 nan 0.000 0.465 41 K N -0.142 120.425 120.400 0.279 0.000 2.527 41 K HA 0.266 4.586 4.320 -0.001 0.000 0.260 41 K C -1.478 175.145 176.600 0.039 0.000 0.937 41 K CA -0.566 55.844 56.287 0.205 0.000 0.826 41 K CB 1.980 34.550 32.500 0.118 0.000 1.359 41 K HN -0.258 nan 8.250 nan 0.000 0.434 42 Q N 1.374 121.103 119.800 -0.119 0.000 2.337 42 Q HA 0.210 4.549 4.340 -0.001 0.000 0.266 42 Q C 0.192 176.118 176.000 -0.122 0.000 1.023 42 Q CA -0.558 55.161 55.803 -0.141 0.000 0.829 42 Q CB 2.197 30.810 28.738 -0.208 0.000 1.306 42 Q HN 0.878 nan 8.270 nan 0.000 0.449 43 T N -1.247 113.260 114.554 -0.078 0.000 3.051 43 T HA 0.189 4.538 4.350 -0.001 0.000 0.255 43 T C 0.989 175.662 174.700 -0.045 0.000 1.085 43 T CA 0.403 62.468 62.100 -0.058 0.000 1.109 43 T CB 0.220 69.064 68.868 -0.039 0.000 0.921 43 T HN 0.516 nan 8.240 nan 0.000 0.488 44 M N 1.779 121.362 119.600 -0.029 0.000 3.114 44 M HA 0.387 4.866 4.480 -0.001 0.000 0.386 44 M C 0.555 176.913 176.300 0.095 0.000 1.417 44 M CA -0.702 54.607 55.300 0.016 0.000 0.785 44 M CB 1.311 33.920 32.600 0.015 0.000 1.413 44 M HN 0.283 nan 8.290 nan 0.000 0.498 45 G N 1.047 109.861 108.800 0.024 0.000 2.441 45 G HA2 0.346 4.305 3.960 -0.001 0.000 0.243 45 G HA3 0.346 4.305 3.960 -0.001 0.000 0.243 45 G C -0.445 174.543 174.900 0.147 0.000 1.281 45 G CA 0.063 45.177 45.100 0.022 0.000 0.854 45 G HN 0.647 nan 8.290 nan 0.000 0.560 46 H N -0.230 118.854 119.070 0.023 0.000 2.966 46 H HA 0.793 5.348 4.556 -0.001 0.000 0.330 46 H C 0.061 175.387 175.328 -0.003 0.000 1.292 46 H CA -0.462 55.613 56.048 0.045 0.000 1.127 46 H CB 1.418 31.180 29.762 0.001 0.000 1.863 46 H HN 0.869 nan 8.280 nan 0.000 0.543 47 G N -0.464 108.384 108.800 0.079 0.000 2.933 47 G HA2 0.532 4.491 3.960 -0.001 0.000 0.203 47 G HA3 0.532 4.491 3.960 -0.001 0.000 0.203 47 G C -0.881 174.043 174.900 0.040 0.000 1.170 47 G CA -0.341 44.732 45.100 -0.045 0.000 0.880 47 G HN 0.812 nan 8.290 nan 0.000 0.573 48 A N -0.724 122.092 122.820 -0.006 0.000 2.561 48 A HA 0.564 4.884 4.320 -0.001 0.000 0.234 48 A C 0.764 178.367 177.584 0.031 0.000 1.055 48 A CA 1.062 53.099 52.037 -0.001 0.000 0.756 48 A CB -0.192 18.792 19.000 -0.028 0.000 0.986 48 A HN 2.213 nan 8.150 nan 0.000 0.505 49 L N 0.217 121.452 121.223 0.021 0.000 7.336 49 L HA -0.274 4.066 4.340 -0.001 0.000 0.172 49 L C 0.425 177.315 176.870 0.034 0.000 1.169 49 L CA 1.610 56.464 54.840 0.023 0.000 1.369 49 L CB -0.476 41.598 42.059 0.025 0.000 2.701 49 L HN 1.201 nan 8.230 nan 0.000 1.115 53 W N 4.550 125.793 121.300 -0.095 0.000 2.463 53 W HA 0.280 4.939 4.660 -0.002 0.000 0.316 53 W C -0.684 175.684 176.519 -0.252 0.000 1.004 53 W CA -0.355 56.897 57.345 -0.155 0.000 1.309 53 W CB 1.131 30.482 29.460 -0.182 0.000 1.288 53 W HN 0.496 nan 8.180 nan 0.000 0.423 54 E N 3.003 122.803 120.200 -0.666 0.000 2.493 54 E HA 0.026 4.375 4.350 -0.001 0.000 0.255 54 E C -0.128 176.001 176.600 -0.784 0.000 0.999 54 E CA 0.549 56.618 56.400 -0.552 0.000 0.934 54 E CB 0.947 30.382 29.700 -0.441 0.000 0.940 54 E HN 0.255 nan 8.360 nan 0.000 0.473 55 S N 4.812 120.114 115.700 -0.663 0.000 2.272 55 S HA 0.235 4.705 4.470 -0.001 0.000 0.207 55 S C -2.209 172.135 174.600 -0.427 0.000 1.336 55 S CA -1.029 56.466 58.200 -1.175 0.000 1.259 55 S CB 0.737 63.184 63.200 -1.255 0.000 1.130 55 S HN 0.367 nan 8.310 nan 0.000 0.444 56 P HA 0.209 nan 4.420 nan 0.000 0.276 56 P C -0.351 177.178 177.300 0.382 0.000 1.261 56 P CA -0.423 62.764 63.100 0.145 0.000 0.800 56 P CB 0.745 32.495 31.700 0.084 0.000 1.066 57 E N -0.498 119.845 120.200 0.239 0.000 2.442 57 E HA 0.255 4.605 4.350 -0.001 0.000 0.262 57 E C 1.016 177.718 176.600 0.169 0.000 1.004 57 E CA 0.936 57.465 56.400 0.215 0.000 0.928 57 E CB -0.293 29.481 29.700 0.123 0.000 0.937 57 E HN 0.832 nan 8.360 nan 0.000 0.446 58 G N 2.025 110.882 108.800 0.094 0.000 2.316 58 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.203 58 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.203 58 G C 0.447 175.272 174.900 -0.126 0.000 0.999 58 G CA -0.342 44.761 45.100 0.005 0.000 0.649 58 G HN 0.809 nan 8.290 nan 0.000 0.489 59 G N -0.601 108.047 108.800 -0.255 0.000 2.521 59 G HA2 0.688 4.647 3.960 -0.001 0.000 0.323 59 G HA3 0.688 4.647 3.960 -0.001 0.000 0.323 59 G C -0.852 173.256 174.900 -1.320 0.000 1.211 59 G CA -0.593 43.972 45.100 -0.891 0.000 0.979 59 G HN 0.892 nan 8.290 nan 0.000 0.490 60 L N 0.411 120.879 121.223 -1.258 0.000 2.277 60 L HA 0.587 4.926 4.340 -0.001 0.000 0.284 60 L C -1.393 175.124 176.870 -0.587 0.000 1.028 60 L CA -1.102 53.309 54.840 -0.715 0.000 0.835 60 L CB 0.301 42.177 42.059 -0.305 0.000 1.215 60 L HN 0.511 nan 8.230 nan 0.000 0.425 61 W N 7.745 129.095 121.300 0.083 0.000 2.336 61 W HA 0.614 5.274 4.660 -0.001 0.000 0.315 61 W C -0.924 175.610 176.519 0.024 0.000 1.016 61 W CA -0.991 56.379 57.345 0.041 0.000 1.318 61 W CB 0.980 30.472 29.460 0.053 0.000 1.247 61 W HN 0.379 nan 8.180 nan 0.000 0.414 62 L N 0.522 121.850 121.223 0.175 0.000 2.479 62 L HA 0.932 5.271 4.340 -0.001 0.000 0.255 62 L C -0.440 176.451 176.870 0.034 0.000 1.026 62 L CA -1.098 53.814 54.840 0.120 0.000 0.842 62 L CB 1.925 44.084 42.059 0.166 0.000 1.444 62 L HN 0.042 nan 8.230 nan 0.000 0.409 63 S N 0.792 116.512 115.700 0.035 0.000 2.549 63 S HA 0.858 5.327 4.470 -0.001 0.000 0.280 63 S C -0.802 173.794 174.600 -0.006 0.000 1.109 63 S CA -0.430 57.762 58.200 -0.013 0.000 0.905 63 S CB 1.578 64.771 63.200 -0.011 0.000 1.081 63 S HN 0.587 nan 8.310 nan 0.000 0.477 64 I N 1.781 122.316 120.570 -0.059 0.000 2.465 64 I HA 0.405 4.574 4.170 -0.001 0.000 0.291 64 I C -0.832 175.222 176.117 -0.106 0.000 1.014 64 I CA -1.018 60.232 61.300 -0.083 0.000 1.093 64 I CB 1.938 39.852 38.000 -0.143 0.000 1.267 64 I HN 0.257 nan 8.210 nan 0.000 0.431 65 V N 7.262 127.122 119.914 -0.091 0.000 2.432 65 V HA 0.401 4.520 4.120 -0.001 0.000 0.271 65 V C 0.058 176.070 176.094 -0.136 0.000 1.046 65 V CA -0.154 62.087 62.300 -0.098 0.000 0.945 65 V CB 0.945 32.718 31.823 -0.084 0.000 0.992 65 V HN 0.448 nan 8.190 nan 0.000 0.471 66 L N 3.766 124.912 121.223 -0.128 0.000 2.371 66 L HA 0.644 4.983 4.340 -0.001 0.000 0.262 66 L C 0.014 176.885 176.870 0.002 0.000 1.006 66 L CA -0.359 54.407 54.840 -0.124 0.000 0.818 66 L CB 2.339 44.249 42.059 -0.248 0.000 1.354 66 L HN 0.533 nan 8.230 nan 0.000 0.415 67 S N 2.021 117.778 115.700 0.094 0.000 2.407 67 S HA 0.322 4.791 4.470 -0.001 0.000 0.166 67 S C -2.546 172.160 174.600 0.177 0.000 1.445 67 S CA -0.914 57.351 58.200 0.108 0.000 1.260 67 S CB 0.365 63.609 63.200 0.074 0.000 1.401 67 S HN 0.383 nan 8.310 nan 0.000 0.379 68 P HA 0.169 nan 4.420 nan 0.000 0.266 68 P C -0.669 176.719 177.300 0.147 0.000 1.215 68 P CA -0.254 63.011 63.100 0.275 0.000 0.763 68 P CB 0.501 32.461 31.700 0.434 0.000 0.806 69 K N 3.513 123.961 120.400 0.080 0.000 2.502 69 K HA 0.233 4.552 4.320 -0.001 0.000 0.244 69 K C 0.384 176.981 176.600 -0.005 0.000 1.249 69 K CA -0.339 55.970 56.287 0.037 0.000 1.193 69 K CB -0.367 32.146 32.500 0.021 0.000 1.674 69 K HN 0.372 nan 8.250 nan 0.000 0.302 70 V N -1.625 118.293 119.914 0.007 0.000 3.046 70 V HA 0.646 4.765 4.120 -0.001 0.000 0.316 70 V C -2.574 173.515 176.094 -0.008 0.000 1.104 70 V CA -2.860 59.408 62.300 -0.053 0.000 1.006 70 V CB 1.452 33.192 31.823 -0.138 0.000 1.058 70 V HN 0.115 nan 8.190 nan 0.000 0.440 71 P HA 0.117 nan 4.420 nan 0.000 0.266 71 P C 0.462 177.790 177.300 0.046 0.000 1.193 71 P CA 0.195 63.299 63.100 0.006 0.000 0.770 71 P CB 0.531 32.225 31.700 -0.010 0.000 0.836 72 Q N 3.721 123.555 119.800 0.056 0.000 2.133 72 Q HA -0.267 4.072 4.340 -0.001 0.000 0.208 72 Q C 1.503 177.566 176.000 0.105 0.000 0.991 72 Q CA 2.420 58.269 55.803 0.076 0.000 0.867 72 Q CB -0.572 28.204 28.738 0.065 0.000 0.911 72 Q HN 0.412 nan 8.270 nan 0.000 0.417 73 K N -0.418 120.050 120.400 0.113 0.000 2.442 73 K HA -0.064 4.256 4.320 -0.001 0.000 0.198 73 K C 0.935 177.635 176.600 0.166 0.000 1.042 73 K CA 1.638 58.025 56.287 0.166 0.000 0.958 73 K CB -0.033 32.589 32.500 0.203 0.000 0.766 73 K HN 0.223 nan 8.250 nan 0.000 0.474 74 D N 0.637 121.121 120.400 0.140 0.000 2.327 74 D HA 0.070 4.710 4.640 -0.001 0.000 0.205 74 D C 1.752 178.260 176.300 0.347 0.000 0.989 74 D CA 0.375 54.498 54.000 0.205 0.000 0.873 74 D CB 0.064 40.913 40.800 0.081 0.000 0.955 74 D HN 0.160 nan 8.370 nan 0.000 0.515 75 L N 1.110 122.489 121.223 0.260 0.000 2.089 75 L HA -0.176 4.163 4.340 -0.001 0.000 0.213 75 L C -0.464 176.521 176.870 0.191 0.000 1.079 75 L CA 1.458 56.441 54.840 0.238 0.000 0.758 75 L CB -1.708 40.443 42.059 0.154 0.000 0.891 75 L HN 0.026 nan 8.230 nan 0.000 0.433 76 P HA -0.155 nan 4.420 nan 0.000 0.225 76 P C 1.060 178.506 177.300 0.243 0.000 1.148 76 P CA 1.210 64.438 63.100 0.214 0.000 0.779 76 P CB 0.001 31.830 31.700 0.216 0.000 0.780 77 K N -0.861 119.685 120.400 0.244 0.000 2.525 77 K HA 0.043 4.362 4.320 -0.001 0.000 0.192 77 K C 1.512 178.014 176.600 -0.164 0.000 1.029 77 K CA 0.177 56.563 56.287 0.165 0.000 1.029 77 K CB -0.241 32.515 32.500 0.427 0.000 0.814 77 K HN 0.104 nan 8.250 nan 0.000 0.503 78 I N 0.683 121.113 120.570 -0.233 0.000 2.264 78 I HA -0.249 3.920 4.170 -0.001 0.000 0.248 78 I C 2.252 178.181 176.117 -0.313 0.000 1.111 78 I CA 1.174 62.278 61.300 -0.327 0.000 1.382 78 I CB -1.006 36.870 38.000 -0.207 0.000 1.060 78 I HN 0.020 nan 8.210 nan 0.000 0.418 79 V N 1.029 120.705 119.914 -0.397 0.000 2.392 79 V HA -0.302 3.817 4.120 -0.001 0.000 0.249 79 V C 2.419 178.264 176.094 -0.416 0.000 1.059 79 V CA 1.883 63.903 62.300 -0.467 0.000 1.051 79 V CB -0.508 30.926 31.823 -0.649 0.000 0.658 79 V HN 0.181 nan 8.190 nan 0.000 0.455 80 F N -0.116 119.694 119.950 -0.233 0.000 2.293 80 F HA -0.006 4.520 4.527 -0.002 0.000 0.300 80 F C 2.091 177.803 175.800 -0.147 0.000 1.086 80 F CA 1.145 59.035 58.000 -0.185 0.000 1.375 80 F CB -0.830 38.081 39.000 -0.150 0.000 1.045 80 F HN 0.144 nan 8.300 nan 0.000 0.516 81 L N -0.528 120.675 121.223 -0.032 0.000 2.046 81 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 81 L C 2.769 179.602 176.870 -0.062 0.000 1.077 81 L CA 1.461 56.264 54.840 -0.061 0.000 0.747 81 L CB -1.451 40.521 42.059 -0.144 0.000 0.896 81 L HN 0.253 nan 8.230 nan 0.000 0.432 82 G N -0.420 108.316 108.800 -0.106 0.000 2.404 82 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.215 82 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.215 82 G C 1.789 176.646 174.900 -0.072 0.000 1.174 82 G CA 0.798 45.834 45.100 -0.107 0.000 0.780 82 G HN 0.453 nan 8.290 nan 0.000 0.537 83 A N 0.134 122.923 122.820 -0.051 0.000 1.877 83 A HA 0.054 4.373 4.320 -0.001 0.000 0.216 83 A C 2.605 180.193 177.584 0.007 0.000 1.186 83 A CA 1.933 53.963 52.037 -0.013 0.000 0.620 83 A CB -0.713 18.306 19.000 0.033 0.000 0.822 83 A HN 0.266 nan 8.150 nan 0.000 0.443 84 V N -0.051 119.877 119.914 0.022 0.000 2.427 84 V HA -0.154 3.965 4.120 -0.001 0.000 0.248 84 V C 2.807 178.903 176.094 0.004 0.000 1.051 84 V CA 1.822 64.133 62.300 0.018 0.000 1.048 84 V CB -1.443 30.396 31.823 0.027 0.000 0.666 84 V HN 0.623 nan 8.190 nan 0.000 0.456 85 G N -0.150 108.644 108.800 -0.010 0.000 2.440 85 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.218 85 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.218 85 G C 1.675 176.562 174.900 -0.022 0.000 1.154 85 G CA 1.276 46.364 45.100 -0.021 0.000 0.767 85 G HN 0.384 nan 8.290 nan 0.000 0.552 86 V N 0.417 120.314 119.914 -0.028 0.000 2.343 86 V HA -0.165 3.954 4.120 -0.001 0.000 0.247 86 V C 3.041 179.132 176.094 -0.005 0.000 1.051 86 V CA 1.468 63.752 62.300 -0.026 0.000 1.036 86 V CB -0.317 31.490 31.823 -0.028 0.000 0.654 86 V HN 0.254 nan 8.190 nan 0.000 0.451 87 V N 0.026 119.942 119.914 0.003 0.000 2.332 87 V HA -0.289 3.830 4.120 -0.001 0.000 0.248 87 V C 2.407 178.514 176.094 0.022 0.000 1.055 87 V CA 2.208 64.515 62.300 0.012 0.000 1.038 87 V CB -0.697 31.133 31.823 0.012 0.000 0.651 87 V HN 0.642 nan 8.190 nan 0.000 0.450 88 E N -0.311 119.901 120.200 0.020 0.000 2.077 88 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 88 E C 2.296 178.928 176.600 0.053 0.000 0.989 88 E CA 1.758 58.175 56.400 0.028 0.000 0.800 88 E CB -0.317 29.394 29.700 0.020 0.000 0.746 88 E HN 0.552 nan 8.360 nan 0.000 0.452 89 T N 1.569 116.155 114.554 0.054 0.000 2.777 89 T HA -0.088 4.262 4.350 -0.001 0.000 0.266 89 T C 1.957 176.764 174.700 0.178 0.000 1.040 89 T CA 0.720 62.885 62.100 0.110 0.000 1.141 89 T CB -0.169 68.724 68.868 0.041 0.000 0.868 89 T HN 0.073 nan 8.240 nan 0.000 0.444 90 L N 0.761 122.035 121.223 0.085 0.000 2.042 90 L HA -0.132 4.207 4.340 -0.001 0.000 0.210 90 L C 2.667 179.622 176.870 0.142 0.000 1.076 90 L CA 1.434 56.328 54.840 0.090 0.000 0.749 90 L CB -0.467 41.611 42.059 0.033 0.000 0.893 90 L HN 0.227 nan 8.230 nan 0.000 0.432 91 K N 0.473 120.932 120.400 0.098 0.000 2.147 91 K HA -0.205 4.114 4.320 -0.001 0.000 0.205 91 K C 1.871 178.518 176.600 0.078 0.000 1.049 91 K CA 1.384 57.714 56.287 0.072 0.000 0.936 91 K CB 0.050 32.575 32.500 0.041 0.000 0.722 91 K HN 0.339 nan 8.250 nan 0.000 0.446 92 E N -0.694 119.570 120.200 0.108 0.000 2.204 92 E HA -0.159 4.191 4.350 -0.001 0.000 0.195 92 E C 0.884 177.432 176.600 -0.087 0.000 0.990 92 E CA 0.902 57.312 56.400 0.017 0.000 0.821 92 E CB 0.020 29.740 29.700 0.033 0.000 0.750 92 E HN 0.294 nan 8.360 nan 0.000 0.477 93 F N 0.061 120.006 119.950 -0.008 0.000 2.660 93 F HA 0.173 4.699 4.527 -0.002 0.000 0.302 93 F C 0.568 176.365 175.800 -0.005 0.000 1.103 93 F CA -0.036 57.960 58.000 -0.006 0.000 1.340 93 F CB 0.428 39.423 39.000 -0.007 0.000 1.048 93 F HN -0.269 nan 8.300 nan 0.000 0.551 94 S N 0.688 116.452 115.700 0.108 0.000 3.672 94 S HA -0.190 4.279 4.470 -0.001 0.000 0.319 94 S C -0.021 174.622 174.600 0.071 0.000 1.151 94 S CA 0.223 58.462 58.200 0.064 0.000 0.911 94 S CB -2.126 61.098 63.200 0.039 0.000 0.939 94 S HN 0.320 nan 8.310 nan 0.000 0.524 95 I N 1.372 121.993 120.570 0.086 0.000 2.433 95 I HA 0.335 4.504 4.170 -0.001 0.000 0.292 95 I C -0.490 175.651 176.117 0.039 0.000 1.001 95 I CA -0.659 60.676 61.300 0.058 0.000 1.119 95 I CB 1.508 39.543 38.000 0.059 0.000 1.289 95 I HN -0.056 nan 8.210 nan 0.000 0.438 96 D N 6.074 126.487 120.400 0.021 0.000 2.456 96 D HA 0.303 4.943 4.640 -0.001 0.000 0.219 96 D C 0.245 176.542 176.300 -0.005 0.000 1.126 96 D CA 0.082 54.087 54.000 0.008 0.000 0.890 96 D CB 1.674 42.474 40.800 0.000 0.000 1.025 96 D HN 0.682 nan 8.370 nan 0.000 0.511 97 G N 2.021 110.820 108.800 -0.001 0.000 2.389 97 G HA2 0.528 4.487 3.960 -0.001 0.000 0.317 97 G HA3 0.528 4.487 3.960 -0.001 0.000 0.317 97 G C -0.011 174.877 174.900 -0.021 0.000 1.137 97 G CA -0.637 44.457 45.100 -0.010 0.000 0.870 97 G HN 0.170 nan 8.290 nan 0.000 0.496 98 R N 1.238 121.714 120.500 -0.040 0.000 2.621 98 R HA 0.331 4.670 4.340 -0.001 0.000 0.292 98 R C -0.576 175.720 176.300 -0.007 0.000 0.969 98 R CA -0.848 55.225 56.100 -0.044 0.000 0.887 98 R CB 2.323 32.554 30.300 -0.116 0.000 1.180 98 R HN 0.472 nan 8.270 nan 0.000 0.450 99 I N 2.341 122.931 120.570 0.034 0.000 2.471 99 I HA 0.106 4.275 4.170 -0.001 0.000 0.286 99 I C 0.864 177.078 176.117 0.161 0.000 1.079 99 I CA 0.056 61.408 61.300 0.087 0.000 1.398 99 I CB 0.555 38.615 38.000 0.100 0.000 1.403 99 I HN 0.216 nan 8.210 nan 0.000 0.530 100 K N 7.755 128.270 120.400 0.192 0.000 2.266 100 K HA 0.096 4.415 4.320 -0.001 0.000 0.274 100 K C -0.557 176.196 176.600 0.256 0.000 1.090 100 K CA -0.651 55.820 56.287 0.308 0.000 0.925 100 K CB 0.516 33.208 32.500 0.321 0.000 1.225 100 K HN 0.536 nan 8.250 nan 0.000 0.458 101 W N 7.967 129.336 121.300 0.114 0.000 2.391 101 W HA -0.038 4.621 4.660 -0.001 0.000 0.339 101 W C -1.769 174.792 176.519 0.069 0.000 1.252 101 W CA -0.892 56.516 57.345 0.105 0.000 1.304 101 W CB 0.877 30.400 29.460 0.106 0.000 1.179 101 W HN 0.547 nan 8.180 nan 0.000 0.567 102 P HA 0.008 nan 4.420 nan 0.000 0.277 102 P C 0.079 177.133 177.300 -0.411 0.000 1.260 102 P CA 0.760 63.297 63.100 -0.939 0.000 0.878 102 P CB 0.558 31.244 31.700 -1.691 0.000 1.319 103 N N -0.677 117.850 118.700 -0.289 0.000 2.194 103 N HA 0.089 4.828 4.740 -0.001 0.000 0.231 103 N C -0.647 174.801 175.510 -0.103 0.000 1.247 103 N CA -0.124 52.798 53.050 -0.213 0.000 0.884 103 N CB 0.229 38.560 38.487 -0.259 0.000 1.146 103 N HN -0.089 nan 8.380 nan 0.000 0.516 104 D N 0.475 120.861 120.400 -0.023 0.000 2.350 104 D HA 0.426 5.065 4.640 -0.001 0.000 0.238 104 D C -0.578 175.761 176.300 0.066 0.000 0.989 104 D CA -0.475 53.549 54.000 0.040 0.000 0.921 104 D CB 3.200 44.057 40.800 0.095 0.000 1.297 104 D HN -0.212 nan 8.370 nan 0.000 0.490 105 V N 1.834 121.793 119.914 0.075 0.000 2.487 105 V HA 0.435 4.554 4.120 -0.001 0.000 0.298 105 V C -0.053 176.082 176.094 0.069 0.000 1.028 105 V CA -0.692 61.644 62.300 0.060 0.000 0.860 105 V CB 1.594 33.440 31.823 0.039 0.000 0.991 105 V HN 0.301 nan 8.190 nan 0.000 0.427 106 L N 4.583 125.827 121.223 0.035 0.000 2.333 106 L HA 0.792 5.132 4.340 -0.001 0.000 0.269 106 L C -0.877 175.975 176.870 -0.030 0.000 1.010 106 L CA -1.079 53.770 54.840 0.015 0.000 0.818 106 L CB 2.282 44.328 42.059 -0.021 0.000 1.306 106 L HN 0.305 nan 8.230 nan 0.000 0.430 107 V N 1.644 121.551 119.914 -0.011 0.000 2.409 107 V HA 0.300 4.419 4.120 -0.001 0.000 0.290 107 V C -0.262 175.829 176.094 -0.005 0.000 1.017 107 V CA -0.690 61.601 62.300 -0.016 0.000 0.841 107 V CB 1.255 33.083 31.823 0.009 0.000 1.003 107 V HN 0.889 nan 8.190 nan 0.000 0.426 108 N N 4.490 123.172 118.700 -0.030 0.000 2.740 108 N HA -0.261 4.479 4.740 -0.001 0.000 0.248 108 N C 0.148 175.739 175.510 0.135 0.000 1.062 108 N CA 1.144 54.217 53.050 0.038 0.000 0.704 108 N CB -1.175 37.345 38.487 0.055 0.000 0.968 108 N HN 0.960 nan 8.380 nan 0.000 0.547 109 Y N -3.054 117.231 120.300 -0.025 0.000 4.798 109 Y HA -0.314 4.236 4.550 -0.001 0.000 0.237 109 Y C 0.528 176.447 175.900 0.031 0.000 1.017 109 Y CA 1.381 59.467 58.100 -0.023 0.000 2.010 109 Y CB -1.300 37.119 38.460 -0.069 0.000 1.582 109 Y HN 0.248 nan 8.280 nan 0.000 0.621 110 K N 0.741 121.217 120.400 0.127 0.000 2.235 110 K HA 0.739 5.059 4.320 -0.001 0.000 0.266 110 K C 0.211 176.867 176.600 0.094 0.000 0.980 110 K CA -0.037 56.314 56.287 0.108 0.000 0.849 110 K CB 1.465 34.011 32.500 0.076 0.000 1.098 110 K HN 0.161 nan 8.250 nan 0.000 0.445 111 A N 3.755 126.640 122.820 0.110 0.000 2.522 111 A HA 0.072 4.391 4.320 -0.001 0.000 0.256 111 A C 0.653 178.308 177.584 0.119 0.000 1.086 111 A CA 0.167 52.280 52.037 0.127 0.000 0.763 111 A CB -0.268 18.819 19.000 0.145 0.000 1.024 111 A HN 0.982 nan 8.150 nan 0.000 0.502 112 I N 1.020 121.670 120.570 0.134 0.000 4.323 112 I HA 0.468 4.638 4.170 -0.001 0.000 0.328 112 I C 0.618 176.859 176.117 0.208 0.000 1.310 112 I CA 0.761 62.138 61.300 0.129 0.000 1.186 112 I CB 0.270 38.312 38.000 0.070 0.000 1.130 112 I HN 0.721 nan 8.210 nan 0.000 0.411 113 A N -0.377 122.592 122.820 0.248 0.000 2.612 113 A HA 0.754 5.073 4.320 -0.001 0.000 0.293 113 A C -0.828 176.870 177.584 0.191 0.000 1.075 113 A CA -0.122 52.073 52.037 0.263 0.000 0.680 113 A CB 1.084 20.144 19.000 0.100 0.000 1.279 113 A HN 0.162 nan 8.150 nan 0.000 0.411 114 G N -0.560 108.193 108.800 -0.079 0.000 2.667 114 G HA2 0.646 4.605 3.960 -0.001 0.000 0.298 114 G HA3 0.646 4.605 3.960 -0.001 0.000 0.298 114 G C -1.597 173.057 174.900 -0.411 0.000 1.377 114 G CA -0.498 44.422 45.100 -0.300 0.000 0.964 114 G HN 1.218 nan 8.290 nan 0.000 0.493 115 V N 1.386 121.119 119.914 -0.302 0.000 2.604 115 V HA 0.712 4.832 4.120 -0.001 0.000 0.305 115 V C -0.862 175.062 176.094 -0.284 0.000 1.043 115 V CA -0.837 61.291 62.300 -0.286 0.000 0.888 115 V CB 1.674 33.362 31.823 -0.226 0.000 0.995 115 V HN 0.725 nan 8.190 nan 0.000 0.429 116 L N 5.683 126.739 121.223 -0.277 0.000 2.441 116 L HA 0.713 5.053 4.340 -0.001 0.000 0.270 116 L C -0.909 175.849 176.870 -0.187 0.000 0.973 116 L CA -0.110 54.592 54.840 -0.229 0.000 0.842 116 L CB 1.975 43.881 42.059 -0.256 0.000 1.239 116 L HN 0.437 nan 8.230 nan 0.000 0.406 117 V N 5.002 124.823 119.914 -0.155 0.000 2.370 117 V HA 0.592 4.711 4.120 -0.001 0.000 0.283 117 V C -0.025 176.021 176.094 -0.080 0.000 1.023 117 V CA -0.478 61.747 62.300 -0.125 0.000 0.857 117 V CB 1.389 33.132 31.823 -0.132 0.000 0.985 117 V HN 0.824 nan 8.190 nan 0.000 0.443 118 E N 2.189 122.351 120.200 -0.063 0.000 2.393 118 E HA 0.831 5.180 4.350 -0.001 0.000 0.265 118 E C -0.216 176.367 176.600 -0.028 0.000 0.941 118 E CA -0.851 55.529 56.400 -0.033 0.000 0.801 118 E CB 2.629 32.323 29.700 -0.010 0.000 1.313 118 E HN 0.781 nan 8.360 nan 0.000 0.435 119 G N 0.501 109.291 108.800 -0.016 0.000 2.672 119 G HA2 0.548 4.508 3.960 -0.001 0.000 0.292 119 G HA3 0.548 4.508 3.960 -0.001 0.000 0.292 119 G C -1.430 173.465 174.900 -0.009 0.000 1.375 119 G CA -0.373 44.720 45.100 -0.012 0.000 0.890 119 G HN 0.134 nan 8.290 nan 0.000 0.476 120 K N 0.527 120.923 120.400 -0.006 0.000 2.690 120 K HA 0.526 4.845 4.320 -0.001 0.000 0.264 120 K C 0.475 177.078 176.600 0.006 0.000 1.040 120 K CA 0.435 56.719 56.287 -0.004 0.000 0.946 120 K CB 0.863 33.355 32.500 -0.013 0.000 1.268 120 K HN 1.951 nan 8.250 nan 0.000 0.473 121 G N 4.224 113.030 108.800 0.011 0.000 2.527 121 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.268 121 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.268 121 G C 0.081 174.995 174.900 0.023 0.000 1.175 121 G CA 0.430 45.541 45.100 0.020 0.000 0.962 121 G HN 0.597 nan 8.290 nan 0.000 0.560 122 D N 1.019 121.438 120.400 0.032 0.000 2.358 122 D HA 0.281 4.920 4.640 -0.001 0.000 0.224 122 D C 0.888 177.210 176.300 0.036 0.000 1.123 122 D CA 0.444 54.466 54.000 0.037 0.000 0.833 122 D CB 0.188 41.014 40.800 0.044 0.000 0.946 122 D HN 0.579 nan 8.370 nan 0.000 0.505 123 K N 0.847 121.260 120.400 0.022 0.000 2.156 123 K HA 0.409 4.728 4.320 -0.001 0.000 0.271 123 K C -0.739 175.859 176.600 -0.003 0.000 0.995 123 K CA -0.454 55.836 56.287 0.006 0.000 0.890 123 K CB 0.992 33.484 32.500 -0.013 0.000 1.073 123 K HN -0.092 nan 8.250 nan 0.000 0.454 124 I N 4.091 124.655 120.570 -0.011 0.000 2.404 124 I HA 0.235 4.404 4.170 -0.001 0.000 0.293 124 I C -0.867 175.215 176.117 -0.058 0.000 0.992 124 I CA -1.304 59.981 61.300 -0.026 0.000 1.149 124 I CB 2.119 40.112 38.000 -0.011 0.000 1.315 124 I HN 0.359 nan 8.210 nan 0.000 0.446 125 V N 6.918 126.794 119.914 -0.063 0.000 2.357 125 V HA 0.267 4.387 4.120 -0.001 0.000 0.284 125 V C -0.330 175.704 176.094 -0.101 0.000 1.018 125 V CA -0.630 61.624 62.300 -0.076 0.000 0.841 125 V CB 1.666 33.456 31.823 -0.055 0.000 0.991 125 V HN 0.393 nan 8.190 nan 0.000 0.437 126 L N 5.836 126.985 121.223 -0.124 0.000 2.259 126 L HA 0.793 5.132 4.340 -0.001 0.000 0.288 126 L C 0.551 177.336 176.870 -0.141 0.000 1.051 126 L CA 0.267 55.017 54.840 -0.149 0.000 0.824 126 L CB 0.667 42.620 42.059 -0.177 0.000 1.206 126 L HN 0.637 nan 8.230 nan 0.000 0.429 127 G N 6.281 114.984 108.800 -0.162 0.000 2.343 127 G HA2 0.642 4.602 3.960 -0.001 0.000 0.319 127 G HA3 0.642 4.602 3.960 -0.001 0.000 0.319 127 G C -0.881 173.892 174.900 -0.212 0.000 1.126 127 G CA -0.455 44.539 45.100 -0.176 0.000 0.889 127 G HN 0.602 nan 8.290 nan 0.000 0.457 128 I N 1.454 121.920 120.570 -0.172 0.000 2.499 128 I HA 0.488 4.658 4.170 -0.001 0.000 0.288 128 I C 0.271 176.320 176.117 -0.114 0.000 1.048 128 I CA -0.872 60.323 61.300 -0.175 0.000 1.062 128 I CB 2.656 40.584 38.000 -0.120 0.000 1.238 128 I HN 0.581 nan 8.210 nan 0.000 0.426 129 G N 6.184 114.866 108.800 -0.196 0.000 2.487 129 G HA2 0.655 4.614 3.960 -0.001 0.000 0.314 129 G HA3 0.655 4.614 3.960 -0.001 0.000 0.314 129 G C -1.671 173.410 174.900 0.301 0.000 1.267 129 G CA -0.366 44.828 45.100 0.156 0.000 0.937 129 G HN 0.380 nan 8.290 nan 0.000 0.481 130 L N 2.225 123.580 121.223 0.220 0.000 2.376 130 L HA 0.518 4.857 4.340 -0.001 0.000 0.275 130 L C -0.920 175.936 176.870 -0.023 0.000 0.987 130 L CA -1.082 53.818 54.840 0.099 0.000 0.828 130 L CB 1.723 43.749 42.059 -0.055 0.000 1.249 130 L HN 0.356 nan 8.230 nan 0.000 0.409 131 N N 4.018 122.796 118.700 0.130 0.000 2.442 131 N HA 0.230 4.969 4.740 -0.001 0.000 0.265 131 N C 0.378 175.852 175.510 -0.061 0.000 1.138 131 N CA -0.051 53.038 53.050 0.065 0.000 0.956 131 N CB 1.932 40.497 38.487 0.129 0.000 1.067 131 N HN 0.555 nan 8.380 nan 0.000 0.474 132 V N 2.415 122.248 119.914 -0.134 0.000 3.204 132 V HA 0.102 4.221 4.120 -0.001 0.000 0.218 132 V C 1.240 177.286 176.094 -0.080 0.000 1.159 132 V CA 0.435 62.651 62.300 -0.141 0.000 1.282 132 V CB 0.001 31.701 31.823 -0.206 0.000 1.225 132 V HN 0.581 nan 8.190 nan 0.000 0.509 133 N N 1.038 119.695 118.700 -0.072 0.000 2.184 133 N HA 0.096 4.835 4.740 -0.001 0.000 0.206 133 N C 0.169 175.682 175.510 0.005 0.000 1.151 133 N CA -0.078 52.954 53.050 -0.030 0.000 0.878 133 N CB 0.105 38.575 38.487 -0.028 0.000 1.014 133 N HN 0.652 nan 8.380 nan 0.000 0.512 134 N N 1.181 119.898 118.700 0.028 0.000 2.424 134 N HA 0.024 4.763 4.740 -0.001 0.000 0.257 134 N C 0.057 175.606 175.510 0.065 0.000 1.250 134 N CA 0.085 53.186 53.050 0.085 0.000 0.946 134 N CB 1.201 39.813 38.487 0.210 0.000 1.175 134 N HN -0.235 nan 8.380 nan 0.000 0.477 135 K N 0.293 120.727 120.400 0.056 0.000 2.295 135 K HA 0.187 4.506 4.320 -0.001 0.000 0.270 135 K C 0.016 176.625 176.600 0.014 0.000 1.011 135 K CA -0.377 55.925 56.287 0.024 0.000 0.953 135 K CB 0.904 33.410 32.500 0.011 0.000 0.956 135 K HN 0.586 nan 8.250 nan 0.000 0.477 136 V N -0.124 119.784 119.914 -0.009 0.000 2.914 136 V HA 0.550 4.669 4.120 -0.001 0.000 0.314 136 V C -2.475 173.581 176.094 -0.064 0.000 1.084 136 V CA -2.386 59.889 62.300 -0.043 0.000 0.963 136 V CB 1.217 33.026 31.823 -0.023 0.000 1.025 136 V HN 0.552 nan 8.190 nan 0.000 0.432 137 P HA 0.205 nan 4.420 nan 0.000 0.270 137 P C -0.453 176.814 177.300 -0.054 0.000 1.223 137 P CA -0.203 62.841 63.100 -0.094 0.000 0.785 137 P CB 0.174 31.792 31.700 -0.138 0.000 0.923 138 N N 1.126 119.803 118.700 -0.039 0.000 2.412 138 N HA 0.133 4.872 4.740 -0.001 0.000 0.258 138 N C 1.465 176.969 175.510 -0.010 0.000 1.236 138 N CA 1.505 54.543 53.050 -0.019 0.000 0.882 138 N CB 0.133 38.611 38.487 -0.015 0.000 1.066 138 N HN 0.796 nan 8.380 nan 0.000 0.465 139 G N -0.433 108.369 108.800 0.003 0.000 2.225 139 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.254 139 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.254 139 G C 0.251 175.169 174.900 0.029 0.000 0.988 139 G CA 0.386 45.498 45.100 0.020 0.000 0.625 139 G HN 0.926 nan 8.290 nan 0.000 0.527 140 A N -1.116 121.710 122.820 0.010 0.000 2.247 140 A HA 0.959 5.278 4.320 -0.001 0.000 0.313 140 A C 0.398 177.994 177.584 0.021 0.000 1.109 140 A CA 0.899 52.945 52.037 0.015 0.000 0.890 140 A CB 1.444 20.429 19.000 -0.026 0.000 1.239 140 A HN 1.316 nan 8.150 nan 0.000 0.506 141 T N -1.620 112.952 114.554 0.030 0.000 2.778 141 T HA 0.693 5.043 4.350 -0.001 0.000 0.293 141 T C -0.717 174.002 174.700 0.032 0.000 1.144 141 T CA 0.236 62.354 62.100 0.029 0.000 1.010 141 T CB 1.217 70.105 68.868 0.033 0.000 1.325 141 T HN 1.868 nan 8.240 nan 0.000 0.515 142 S N 0.331 116.045 115.700 0.022 0.000 2.638 142 S HA 0.454 4.923 4.470 -0.001 0.000 0.274 142 S C 1.115 175.711 174.600 -0.006 0.000 1.157 142 S CA -0.884 57.324 58.200 0.012 0.000 0.826 142 S CB 1.116 64.322 63.200 0.010 0.000 1.139 142 S HN 0.723 nan 8.310 nan 0.000 0.474 143 M N 1.111 120.689 119.600 -0.037 0.000 2.159 143 M HA -0.064 4.415 4.480 -0.001 0.000 0.263 143 M C 2.264 178.550 176.300 -0.023 0.000 1.063 143 M CA 1.705 56.974 55.300 -0.052 0.000 1.110 143 M CB -0.528 31.990 32.600 -0.136 0.000 1.374 143 M HN 0.868 nan 8.290 nan 0.000 0.411 144 K N 1.141 121.528 120.400 -0.023 0.000 2.057 144 K HA -0.126 4.193 4.320 -0.001 0.000 0.207 144 K C 1.763 178.366 176.600 0.006 0.000 1.049 144 K CA 1.204 57.488 56.287 -0.005 0.000 0.931 144 K CB -0.080 32.416 32.500 -0.007 0.000 0.714 144 K HN 0.300 nan 8.250 nan 0.000 0.440 145 L N 0.840 122.066 121.223 0.006 0.000 2.141 145 L HA -0.132 4.207 4.340 -0.001 0.000 0.209 145 L C 2.355 179.234 176.870 0.015 0.000 1.094 145 L CA 0.865 55.712 54.840 0.011 0.000 0.763 145 L CB -0.255 41.812 42.059 0.012 0.000 0.908 145 L HN 0.206 nan 8.230 nan 0.000 0.437 146 E N 0.081 120.290 120.200 0.015 0.000 2.112 146 E HA -0.068 4.281 4.350 -0.001 0.000 0.190 146 E C 2.213 178.829 176.600 0.026 0.000 0.979 146 E CA 1.003 57.416 56.400 0.021 0.000 0.814 146 E CB 0.071 29.784 29.700 0.021 0.000 0.762 146 E HN 0.493 nan 8.360 nan 0.000 0.460 147 L N -0.870 120.370 121.223 0.029 0.000 2.513 147 L HA 0.202 4.541 4.340 -0.001 0.000 0.222 147 L C 1.353 178.241 176.870 0.030 0.000 1.096 147 L CA 0.454 55.317 54.840 0.038 0.000 0.857 147 L CB 0.086 42.180 42.059 0.058 0.000 1.026 147 L HN 0.202 nan 8.230 nan 0.000 0.469 148 G N 0.874 109.688 108.800 0.023 0.000 2.148 148 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.254 148 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.254 148 G C 0.190 175.101 174.900 0.019 0.000 0.981 148 G CA 0.379 45.490 45.100 0.019 0.000 0.670 148 G HN 0.518 nan 8.290 nan 0.000 0.528 149 S N -1.766 113.947 115.700 0.021 0.000 2.565 149 S HA 0.634 5.103 4.470 -0.001 0.000 0.269 149 S C -0.674 173.938 174.600 0.020 0.000 1.153 149 S CA -0.291 57.922 58.200 0.021 0.000 0.835 149 S CB 2.073 65.288 63.200 0.026 0.000 1.122 149 S HN 0.558 nan 8.310 nan 0.000 0.462 150 E N 0.419 120.629 120.200 0.017 0.000 2.413 150 E HA 0.394 4.744 4.350 -0.001 0.000 0.263 150 E C -0.995 175.618 176.600 0.022 0.000 1.015 150 E CA -0.286 56.120 56.400 0.011 0.000 0.916 150 E CB 0.637 30.342 29.700 0.008 0.000 0.947 150 E HN 0.493 nan 8.360 nan 0.000 0.440 151 V N 6.151 126.069 119.914 0.007 0.000 2.459 151 V HA 0.255 4.374 4.120 -0.001 0.000 0.295 151 V C -2.259 173.842 176.094 0.011 0.000 1.029 151 V CA -2.039 60.275 62.300 0.025 0.000 0.874 151 V CB 1.468 33.264 31.823 -0.046 0.000 0.985 151 V HN 0.717 nan 8.190 nan 0.000 0.438 152 P HA 0.042 nan 4.420 nan 0.000 0.260 152 P C 0.655 177.963 177.300 0.015 0.000 1.207 152 P CA -0.023 63.102 63.100 0.041 0.000 0.780 152 P CB 0.574 32.320 31.700 0.076 0.000 0.789 153 L N 5.486 126.692 121.223 -0.029 0.000 2.042 153 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 153 L C 1.794 178.657 176.870 -0.011 0.000 1.076 153 L CA 1.887 56.692 54.840 -0.058 0.000 0.749 153 L CB -1.214 40.794 42.059 -0.085 0.000 0.893 153 L HN 0.277 nan 8.230 nan 0.000 0.432 154 L N -0.824 120.396 121.223 -0.004 0.000 2.131 154 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 154 L C 2.697 179.648 176.870 0.135 0.000 1.092 154 L CA 2.025 56.886 54.840 0.034 0.000 0.759 154 L CB -0.839 41.206 42.059 -0.024 0.000 0.903 154 L HN 0.577 nan 8.230 nan 0.000 0.435 155 S N -2.052 113.723 115.700 0.126 0.000 2.402 155 S HA -0.127 4.342 4.470 -0.001 0.000 0.229 155 S C 1.880 176.631 174.600 0.252 0.000 1.021 155 S CA 1.218 59.539 58.200 0.200 0.000 0.974 155 S CB -1.070 62.282 63.200 0.252 0.000 0.800 155 S HN 0.249 nan 8.310 nan 0.000 0.484 156 V N 1.109 121.093 119.914 0.117 0.000 2.358 156 V HA -0.048 4.071 4.120 -0.001 0.000 0.246 156 V C 2.107 178.223 176.094 0.037 0.000 1.047 156 V CA 1.874 64.143 62.300 -0.051 0.000 1.035 156 V CB -1.095 30.568 31.823 -0.267 0.000 0.658 156 V HN 0.550 nan 8.190 nan 0.000 0.452 157 F N 1.452 121.368 119.950 -0.056 0.000 2.095 157 F HA -0.207 4.319 4.527 -0.002 0.000 0.298 157 F C 2.618 178.413 175.800 -0.008 0.000 1.104 157 F CA 1.871 59.845 58.000 -0.044 0.000 1.232 157 F CB -0.269 38.705 39.000 -0.045 0.000 0.987 157 F HN -0.054 nan 8.300 nan 0.000 0.475 158 R N -0.348 120.244 120.500 0.154 0.000 2.083 158 R HA -0.187 4.152 4.340 -0.001 0.000 0.237 158 R C 2.636 178.915 176.300 -0.034 0.000 1.137 158 R CA 1.592 57.721 56.100 0.049 0.000 0.951 158 R CB -0.966 29.411 30.300 0.129 0.000 0.851 158 R HN 0.367 nan 8.270 nan 0.000 0.434 159 S N 0.857 116.582 115.700 0.041 0.000 2.356 159 S HA -0.139 4.330 4.470 -0.001 0.000 0.223 159 S C 1.918 176.503 174.600 -0.024 0.000 1.032 159 S CA 1.157 59.391 58.200 0.057 0.000 1.005 159 S CB -0.190 63.141 63.200 0.218 0.000 0.867 159 S HN 0.233 nan 8.310 nan 0.000 0.449 160 L N 1.671 122.843 121.223 -0.084 0.000 2.017 160 L HA 0.039 4.378 4.340 -0.001 0.000 0.208 160 L C 2.104 178.858 176.870 -0.193 0.000 1.073 160 L CA 1.649 56.409 54.840 -0.132 0.000 0.745 160 L CB -0.710 41.253 42.059 -0.160 0.000 0.894 160 L HN 0.327 nan 8.230 nan 0.000 0.432 161 I N -0.617 119.753 120.570 -0.334 0.000 2.226 161 I HA -0.259 3.910 4.170 -0.001 0.000 0.245 161 I C 2.351 178.369 176.117 -0.165 0.000 1.100 161 I CA 1.566 62.667 61.300 -0.332 0.000 1.374 161 I CB -1.788 35.885 38.000 -0.545 0.000 1.057 161 I HN 0.298 nan 8.210 nan 0.000 0.413 162 T N 1.410 115.892 114.554 -0.120 0.000 2.708 162 T HA -0.130 4.220 4.350 -0.001 0.000 0.266 162 T C 1.758 176.439 174.700 -0.032 0.000 1.037 162 T CA 1.354 63.422 62.100 -0.053 0.000 1.146 162 T CB -0.188 68.662 68.868 -0.029 0.000 0.865 162 T HN 0.283 nan 8.240 nan 0.000 0.435 163 N N 1.216 119.894 118.700 -0.036 0.000 2.120 163 N HA 0.036 4.775 4.740 -0.001 0.000 0.188 163 N C 1.922 177.425 175.510 -0.012 0.000 1.024 163 N CA 0.844 53.885 53.050 -0.016 0.000 0.852 163 N CB -0.482 37.997 38.487 -0.013 0.000 1.003 163 N HN 0.345 nan 8.380 nan 0.000 0.424 164 L N 0.602 121.801 121.223 -0.040 0.000 2.046 164 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 164 L C 2.067 178.953 176.870 0.026 0.000 1.077 164 L CA 1.167 55.989 54.840 -0.031 0.000 0.747 164 L CB -0.441 41.564 42.059 -0.091 0.000 0.896 164 L HN 0.083 nan 8.230 nan 0.000 0.432 165 D N 0.078 120.487 120.400 0.015 0.000 2.117 165 D HA -0.236 4.403 4.640 -0.001 0.000 0.197 165 D C 2.337 178.699 176.300 0.104 0.000 0.987 165 D CA 1.221 55.264 54.000 0.073 0.000 0.829 165 D CB 0.076 40.897 40.800 0.034 0.000 0.961 165 D HN 0.045 nan 8.370 nan 0.000 0.460 166 R N -0.284 120.252 120.500 0.061 0.000 2.073 166 R HA -0.079 4.260 4.340 -0.001 0.000 0.234 166 R C 2.452 178.798 176.300 0.076 0.000 1.134 166 R CA 1.036 57.169 56.100 0.055 0.000 0.952 166 R CB -0.329 29.991 30.300 0.032 0.000 0.850 166 R HN 0.261 nan 8.270 nan 0.000 0.433 167 L N -0.380 120.894 121.223 0.084 0.000 2.046 167 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 167 L C 2.443 179.421 176.870 0.179 0.000 1.077 167 L CA 1.290 56.193 54.840 0.105 0.000 0.747 167 L CB -0.613 41.491 42.059 0.074 0.000 0.896 167 L HN 0.267 nan 8.230 nan 0.000 0.432 168 Y N 0.372 120.702 120.300 0.050 0.000 2.163 168 Y HA -0.231 4.318 4.550 -0.002 0.000 0.288 168 Y C 2.272 178.259 175.900 0.144 0.000 1.136 168 Y CA 1.315 59.471 58.100 0.094 0.000 1.147 168 Y CB -0.198 38.283 38.460 0.035 0.000 0.987 168 Y HN -0.044 nan 8.280 nan 0.000 0.509 169 L N 0.604 121.849 121.223 0.037 0.000 2.079 169 L HA -0.234 4.105 4.340 -0.001 0.000 0.210 169 L C 2.217 179.050 176.870 -0.063 0.000 1.081 169 L CA 2.138 56.938 54.840 -0.066 0.000 0.752 169 L CB -1.249 40.816 42.059 0.010 0.000 0.896 169 L HN 0.307 nan 8.230 nan 0.000 0.433 170 N N -0.944 117.762 118.700 0.010 0.000 2.216 170 N HA -0.230 4.510 4.740 -0.001 0.000 0.183 170 N C 1.832 177.349 175.510 0.012 0.000 1.017 170 N CA 0.760 53.815 53.050 0.010 0.000 0.861 170 N CB -0.233 38.277 38.487 0.039 0.000 0.986 170 N HN 0.246 nan 8.380 nan 0.000 0.428 171 F N 1.132 121.030 119.950 -0.087 0.000 2.161 171 F HA -0.052 4.474 4.527 -0.002 0.000 0.300 171 F C 1.678 177.399 175.800 -0.132 0.000 1.089 171 F CA 1.213 59.167 58.000 -0.076 0.000 1.282 171 F CB -0.292 38.693 39.000 -0.025 0.000 1.010 171 F HN 0.062 nan 8.300 nan 0.000 0.485 172 L N -0.182 120.881 121.223 -0.267 0.000 2.191 172 L HA -0.217 4.122 4.340 -0.001 0.000 0.212 172 L C 2.178 178.882 176.870 -0.277 0.000 1.103 172 L CA 1.535 56.172 54.840 -0.338 0.000 0.769 172 L CB -0.541 41.330 42.059 -0.313 0.000 0.908 172 L HN 0.167 nan 8.230 nan 0.000 0.438 173 K N -0.835 119.439 120.400 -0.210 0.000 2.262 173 K HA 0.123 4.442 4.320 -0.001 0.000 0.200 173 K C 0.293 176.799 176.600 -0.157 0.000 1.058 173 K CA 0.322 56.517 56.287 -0.154 0.000 0.974 173 K CB 0.416 32.857 32.500 -0.098 0.000 0.910 173 K HN 0.162 nan 8.250 nan 0.000 0.484 174 N N 1.888 120.495 118.700 -0.155 0.000 2.844 174 N HA 0.122 4.861 4.740 -0.001 0.000 0.268 174 N C -2.383 173.037 175.510 -0.150 0.000 1.574 174 N CA -1.030 51.945 53.050 -0.124 0.000 0.838 174 N CB 1.332 39.782 38.487 -0.061 0.000 1.177 174 N HN 0.016 nan 8.380 nan 0.000 0.495 175 P HA -0.083 nan 4.420 nan 0.000 0.226 175 P C 1.062 178.342 177.300 -0.034 0.000 1.146 175 P CA 0.843 63.689 63.100 -0.423 0.000 0.773 175 P CB 0.413 31.688 31.700 -0.707 0.000 0.772 176 M N -0.896 118.681 119.600 -0.039 0.000 2.501 176 M HA 0.018 4.497 4.480 -0.001 0.000 0.261 176 M C 1.193 177.509 176.300 0.027 0.000 1.129 176 M CA 0.846 56.145 55.300 -0.002 0.000 1.126 176 M CB -1.243 31.331 32.600 -0.043 0.000 1.359 176 M HN -0.130 nan 8.290 nan 0.000 0.471 177 D N 1.105 121.526 120.400 0.033 0.000 2.149 177 D HA -0.162 4.477 4.640 -0.001 0.000 0.198 177 D C 1.854 178.186 176.300 0.053 0.000 0.990 177 D CA 0.991 55.012 54.000 0.036 0.000 0.839 177 D CB -0.249 40.573 40.800 0.037 0.000 0.948 177 D HN 0.258 nan 8.370 nan 0.000 0.460 178 I N 0.595 121.232 120.570 0.113 0.000 2.335 178 I HA -0.210 3.959 4.170 -0.001 0.000 0.251 178 I C 1.984 178.098 176.117 -0.004 0.000 1.129 178 I CA 0.990 62.346 61.300 0.093 0.000 1.402 178 I CB -0.135 37.972 38.000 0.178 0.000 1.069 178 I HN -0.006 nan 8.210 nan 0.000 0.424 179 L N 0.338 121.548 121.223 -0.022 0.000 2.083 179 L HA -0.231 4.108 4.340 -0.001 0.000 0.209 179 L C 2.193 179.002 176.870 -0.103 0.000 1.083 179 L CA 1.260 56.026 54.840 -0.124 0.000 0.752 179 L CB -0.999 41.016 42.059 -0.073 0.000 0.899 179 L HN 0.349 nan 8.230 nan 0.000 0.433 180 N N 0.248 118.919 118.700 -0.049 0.000 2.188 180 N HA -0.120 4.619 4.740 -0.001 0.000 0.184 180 N C 1.968 177.456 175.510 -0.037 0.000 1.018 180 N CA 1.159 54.186 53.050 -0.037 0.000 0.858 180 N CB -0.242 38.234 38.487 -0.018 0.000 0.989 180 N HN 0.345 nan 8.380 nan 0.000 0.426 181 L N 0.557 121.762 121.223 -0.030 0.000 2.093 181 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 181 L C 2.280 179.128 176.870 -0.037 0.000 1.085 181 L CA 0.654 55.482 54.840 -0.020 0.000 0.755 181 L CB -0.408 41.651 42.059 -0.000 0.000 0.904 181 L HN -0.049 nan 8.230 nan 0.000 0.435 182 V N -0.051 119.812 119.914 -0.084 0.000 2.307 182 V HA -0.288 3.831 4.120 -0.001 0.000 0.245 182 V C 2.684 178.733 176.094 -0.075 0.000 1.045 182 V CA 1.862 64.093 62.300 -0.114 0.000 1.024 182 V CB -0.613 31.005 31.823 -0.341 0.000 0.651 182 V HN 0.448 nan 8.190 nan 0.000 0.449 183 R N 0.198 120.647 120.500 -0.086 0.000 2.091 183 R HA -0.202 4.137 4.340 -0.001 0.000 0.238 183 R C 1.811 178.097 176.300 -0.024 0.000 1.136 183 R CA 2.109 58.179 56.100 -0.051 0.000 0.959 183 R CB -0.323 29.947 30.300 -0.051 0.000 0.856 183 R HN 0.507 nan 8.270 nan 0.000 0.437 184 D N -0.312 120.074 120.400 -0.022 0.000 2.363 184 D HA -0.038 4.601 4.640 -0.001 0.000 0.220 184 D C 0.319 176.615 176.300 -0.007 0.000 0.994 184 D CA 0.634 54.627 54.000 -0.012 0.000 0.890 184 D CB 0.113 40.906 40.800 -0.010 0.000 0.906 184 D HN 0.294 nan 8.370 nan 0.000 0.530 185 N N 0.182 118.879 118.700 -0.005 0.000 2.194 185 N HA 0.101 4.840 4.740 -0.001 0.000 0.231 185 N C 0.237 175.755 175.510 0.012 0.000 1.247 185 N CA -0.006 53.045 53.050 0.001 0.000 0.884 185 N CB 1.227 39.716 38.487 0.003 0.000 1.146 185 N HN 0.303 nan 8.380 nan 0.000 0.516 186 M N -1.046 118.568 119.600 0.023 0.000 2.705 186 M HA 0.560 5.039 4.480 -0.001 0.000 0.311 186 M C -0.650 175.683 176.300 0.054 0.000 1.214 186 M CA -0.647 54.689 55.300 0.060 0.000 0.920 186 M CB 1.493 34.152 32.600 0.098 0.000 1.687 186 M HN -0.266 nan 8.290 nan 0.000 0.481 187 I N 2.955 123.581 120.570 0.093 0.000 2.379 187 I HA 0.303 4.472 4.170 -0.001 0.000 0.290 187 I C -0.704 175.501 176.117 0.146 0.000 1.063 187 I CA -0.106 61.241 61.300 0.079 0.000 1.351 187 I CB 0.151 38.184 38.000 0.055 0.000 1.410 187 I HN 0.578 nan 8.210 nan 0.000 0.505 188 L N 4.443 125.720 121.223 0.091 0.000 2.303 188 L HA 0.653 4.992 4.340 -0.001 0.000 0.256 188 L C 0.963 177.879 176.870 0.077 0.000 1.034 188 L CA -0.776 54.116 54.840 0.086 0.000 0.832 188 L CB 1.854 43.940 42.059 0.044 0.000 1.403 188 L HN 0.744 nan 8.230 nan 0.000 0.419 189 G N 0.682 109.524 108.800 0.069 0.000 2.148 189 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.254 189 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.254 189 G C -0.275 174.671 174.900 0.076 0.000 0.981 189 G CA 0.243 45.379 45.100 0.059 0.000 0.670 189 G HN 0.723 nan 8.290 nan 0.000 0.528 190 V N -3.507 116.477 119.914 0.117 0.000 3.046 190 V HA 0.858 4.978 4.120 -0.001 0.000 0.316 190 V C 0.510 176.702 176.094 0.163 0.000 1.104 190 V CA -1.484 60.899 62.300 0.137 0.000 1.006 190 V CB 1.767 33.691 31.823 0.168 0.000 1.058 190 V HN 0.432 nan 8.190 nan 0.000 0.440 191 R N 1.046 121.632 120.500 0.144 0.000 2.438 191 R HA 0.682 5.022 4.340 -0.001 0.000 0.287 191 R C -0.565 175.831 176.300 0.161 0.000 1.077 191 R CA 0.058 56.231 56.100 0.123 0.000 1.034 191 R CB 1.282 31.631 30.300 0.082 0.000 0.993 191 R HN 1.098 nan 8.270 nan 0.000 0.459 192 V N 0.098 120.062 119.914 0.084 0.000 3.130 192 V HA 0.635 4.754 4.120 -0.001 0.000 0.310 192 V C -1.283 174.767 176.094 -0.073 0.000 1.158 192 V CA -1.065 61.238 62.300 0.004 0.000 1.029 192 V CB 2.063 33.848 31.823 -0.063 0.000 1.057 192 V HN 0.783 nan 8.190 nan 0.000 0.436 193 K N 2.240 122.562 120.400 -0.130 0.000 2.397 193 K HA 0.636 4.955 4.320 -0.001 0.000 0.253 193 K C -1.561 174.879 176.600 -0.266 0.000 0.932 193 K CA -0.845 55.327 56.287 -0.192 0.000 0.795 193 K CB 1.838 34.273 32.500 -0.109 0.000 1.159 193 K HN 0.731 nan 8.250 nan 0.000 0.424 194 I N 6.249 126.534 120.570 -0.476 0.000 2.304 194 I HA 0.211 4.380 4.170 -0.001 0.000 0.291 194 I C 0.320 176.280 176.117 -0.262 0.000 1.018 194 I CA -0.507 60.542 61.300 -0.418 0.000 1.260 194 I CB 0.624 38.185 38.000 -0.733 0.000 1.390 194 I HN 0.587 nan 8.210 nan 0.000 0.475 195 L N 5.303 126.451 121.223 -0.127 0.000 2.456 195 L HA 0.769 5.108 4.340 -0.001 0.000 0.257 195 L C 1.021 177.876 176.870 -0.025 0.000 1.162 195 L CA -0.145 54.657 54.840 -0.064 0.000 0.808 195 L CB 0.749 42.785 42.059 -0.039 0.000 1.136 195 L HN 0.837 nan 8.230 nan 0.000 0.466 196 G N 1.014 109.812 108.800 -0.004 0.000 2.447 196 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.220 196 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.220 196 G C -1.091 173.829 174.900 0.034 0.000 1.261 196 G CA -0.474 44.636 45.100 0.017 0.000 1.000 196 G HN 0.730 nan 8.290 nan 0.000 0.515 197 D N 0.692 121.117 120.400 0.041 0.000 2.425 197 D HA 0.522 5.161 4.640 -0.001 0.000 0.247 197 D C 1.364 177.711 176.300 0.080 0.000 1.147 197 D CA 2.124 56.154 54.000 0.049 0.000 0.879 197 D CB 0.170 40.994 40.800 0.040 0.000 1.179 197 D HN 2.121 nan 8.370 nan 0.000 0.456 198 G N 2.811 111.662 108.800 0.085 0.000 2.198 198 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.257 198 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.257 198 G C 0.432 175.467 174.900 0.225 0.000 1.042 198 G CA 0.380 45.556 45.100 0.127 0.000 0.791 198 G HN 0.718 nan 8.290 nan 0.000 0.502 199 S N -0.412 115.375 115.700 0.146 0.000 2.558 199 S HA 0.599 5.068 4.470 -0.001 0.000 0.287 199 S C 0.214 174.938 174.600 0.206 0.000 1.321 199 S CA 0.843 59.102 58.200 0.099 0.000 1.048 199 S CB 0.051 63.264 63.200 0.021 0.000 0.844 199 S HN 1.677 nan 8.310 nan 0.000 0.512 200 F N 0.794 120.752 119.950 0.013 0.000 2.741 200 F HA 0.768 5.294 4.527 -0.001 0.000 0.313 200 F C -0.884 174.922 175.800 0.011 0.000 1.153 200 F CA -1.139 56.867 58.000 0.010 0.000 0.931 200 F CB 1.003 40.007 39.000 0.007 0.000 1.335 200 F HN 0.458 nan 8.300 nan 0.000 0.460 201 E N 0.076 120.376 120.200 0.167 0.000 2.336 201 E HA 0.791 5.140 4.350 -0.001 0.000 0.267 201 E C -0.557 176.149 176.600 0.177 0.000 0.906 201 E CA -1.264 55.175 56.400 0.064 0.000 0.781 201 E CB 2.544 32.271 29.700 0.045 0.000 1.261 201 E HN 1.133 nan 8.360 nan 0.000 0.436 202 G N 0.637 109.503 108.800 0.110 0.000 2.320 202 G HA2 0.246 4.205 3.960 -0.001 0.000 0.296 202 G HA3 0.246 4.205 3.960 -0.001 0.000 0.296 202 G C -1.633 173.319 174.900 0.085 0.000 1.306 202 G CA -0.887 44.285 45.100 0.120 0.000 0.836 202 G HN 0.274 nan 8.290 nan 0.000 0.517 203 I N 1.513 122.129 120.570 0.076 0.000 2.395 203 I HA 0.489 4.659 4.170 -0.001 0.000 0.289 203 I C 1.102 177.253 176.117 0.055 0.000 1.023 203 I CA -0.624 60.716 61.300 0.066 0.000 1.350 203 I CB 0.971 39.003 38.000 0.053 0.000 1.409 203 I HN 0.718 nan 8.210 nan 0.000 0.507 204 A N 6.942 129.799 122.820 0.061 0.000 2.457 204 A HA 0.210 4.529 4.320 -0.001 0.000 0.298 204 A C 1.147 178.742 177.584 0.019 0.000 1.288 204 A CA -0.287 51.766 52.037 0.026 0.000 0.956 204 A CB -0.114 18.923 19.000 0.061 0.000 1.135 204 A HN 0.727 nan 8.150 nan 0.000 0.535 205 E N 1.131 121.328 120.200 -0.006 0.000 2.060 205 E HA 0.028 4.377 4.350 -0.001 0.000 0.189 205 E C 0.137 176.727 176.600 -0.017 0.000 0.974 205 E CA 1.150 57.548 56.400 -0.004 0.000 0.808 205 E CB 0.186 29.883 29.700 -0.004 0.000 0.768 205 E HN 0.878 nan 8.360 nan 0.000 0.453 206 D N -1.528 118.843 120.400 -0.048 0.000 2.827 206 D HA 0.191 4.830 4.640 -0.001 0.000 0.336 206 D C -1.546 174.693 176.300 -0.102 0.000 1.374 206 D CA -0.575 53.392 54.000 -0.055 0.000 0.794 206 D CB 0.473 41.256 40.800 -0.029 0.000 1.364 206 D HN -0.032 nan 8.370 nan 0.000 0.464 207 I N -0.836 119.685 120.570 -0.082 0.000 2.603 207 I HA 0.704 4.873 4.170 -0.001 0.000 0.300 207 I C -0.387 175.729 176.117 -0.001 0.000 1.017 207 I CA -0.870 60.384 61.300 -0.076 0.000 1.098 207 I CB 1.801 39.759 38.000 -0.070 0.000 1.279 207 I HN 0.335 nan 8.210 nan 0.000 0.437 208 D N 2.996 123.435 120.400 0.066 0.000 2.507 208 D HA 0.069 4.708 4.640 -0.001 0.000 0.280 208 D C 0.658 177.036 176.300 0.131 0.000 1.219 208 D CA -0.250 53.814 54.000 0.107 0.000 1.085 208 D CB 0.215 41.107 40.800 0.153 0.000 1.134 208 D HN 0.716 nan 8.370 nan 0.000 0.583 209 D N -1.158 119.327 120.400 0.143 0.000 2.378 209 D HA -0.142 4.497 4.640 -0.001 0.000 0.222 209 D C 0.919 177.157 176.300 -0.103 0.000 0.980 209 D CA 0.471 54.482 54.000 0.018 0.000 0.907 209 D CB -0.428 40.355 40.800 -0.028 0.000 0.899 209 D HN 0.298 nan 8.370 nan 0.000 0.527 210 F N -0.083 119.959 119.950 0.154 0.000 2.678 210 F HA 0.356 4.883 4.527 -0.001 0.000 0.305 210 F C 1.973 178.017 175.800 0.407 0.000 1.090 210 F CA 0.208 58.347 58.000 0.232 0.000 1.272 210 F CB 0.898 40.005 39.000 0.179 0.000 1.060 210 F HN 0.146 nan 8.300 nan 0.000 0.576 211 G N 1.041 110.122 108.800 0.468 0.000 2.159 211 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.256 211 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.256 211 G C 0.447 175.815 174.900 0.780 0.000 0.977 211 G CA -0.449 44.987 45.100 0.560 0.000 0.652 211 G HN 0.298 nan 8.290 nan 0.000 0.531 212 R N -0.565 120.262 120.500 0.545 0.000 2.543 212 R HA 0.468 4.807 4.340 -0.001 0.000 0.277 212 R C 0.283 176.586 176.300 0.004 0.000 1.074 212 R CA -0.682 55.658 56.100 0.400 0.000 1.076 212 R CB 0.825 31.273 30.300 0.246 0.000 0.993 212 R HN 0.199 nan 8.270 nan 0.000 0.459 213 L N 4.387 125.336 121.223 -0.457 0.000 2.319 213 L HA 0.195 4.534 4.340 -0.001 0.000 0.280 213 L C -0.579 176.102 176.870 -0.317 0.000 1.099 213 L CA 0.156 54.523 54.840 -0.789 0.000 0.828 213 L CB 0.636 41.761 42.059 -1.558 0.000 1.150 213 L HN 0.426 nan 8.230 nan 0.000 0.442 214 I N 7.225 127.675 120.570 -0.200 0.000 2.304 214 I HA 0.286 4.455 4.170 -0.001 0.000 0.291 214 I C 0.094 176.178 176.117 -0.055 0.000 1.018 214 I CA -0.125 61.125 61.300 -0.083 0.000 1.260 214 I CB 0.600 38.571 38.000 -0.047 0.000 1.390 214 I HN 0.515 nan 8.210 nan 0.000 0.475 215 I N 6.349 126.921 120.570 0.004 0.000 2.433 215 I HA 0.403 4.572 4.170 -0.001 0.000 0.292 215 I C 0.395 176.548 176.117 0.060 0.000 1.001 215 I CA -0.792 60.547 61.300 0.065 0.000 1.119 215 I CB 1.979 40.106 38.000 0.212 0.000 1.289 215 I HN 0.474 nan 8.210 nan 0.000 0.438 216 R N 6.334 126.866 120.500 0.054 0.000 2.215 216 R HA 0.505 4.844 4.340 -0.001 0.000 0.336 216 R C -1.249 175.086 176.300 0.059 0.000 0.996 216 R CA -0.727 55.395 56.100 0.036 0.000 0.847 216 R CB 0.754 31.068 30.300 0.025 0.000 1.127 216 R HN 0.464 nan 8.270 nan 0.000 0.465 217 L N 3.204 124.455 121.223 0.048 0.000 2.453 217 L HA 0.089 4.428 4.340 -0.001 0.000 0.261 217 L C 1.304 178.199 176.870 0.041 0.000 1.179 217 L CA 0.303 55.183 54.840 0.066 0.000 0.813 217 L CB 0.828 42.908 42.059 0.035 0.000 1.110 217 L HN 0.642 nan 8.230 nan 0.000 0.466 218 D N -0.451 119.977 120.400 0.047 0.000 2.221 218 D HA -0.154 4.485 4.640 -0.001 0.000 0.204 218 D C 1.955 178.267 176.300 0.020 0.000 0.982 218 D CA 1.579 55.599 54.000 0.033 0.000 0.857 218 D CB 0.030 40.850 40.800 0.035 0.000 0.934 218 D HN 0.688 nan 8.370 nan 0.000 0.475 219 S N -1.056 114.653 115.700 0.014 0.000 2.481 219 S HA 0.124 4.593 4.470 -0.001 0.000 0.231 219 S C 1.832 176.431 174.600 -0.002 0.000 0.996 219 S CA 1.071 59.273 58.200 0.004 0.000 0.942 219 S CB 0.271 63.469 63.200 -0.004 0.000 0.768 219 S HN 0.348 nan 8.310 nan 0.000 0.520 220 G N 0.838 109.637 108.800 -0.001 0.000 2.232 220 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.226 220 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.226 220 G C -0.120 174.770 174.900 -0.017 0.000 0.996 220 G CA 0.080 45.177 45.100 -0.005 0.000 0.626 220 G HN 0.738 nan 8.290 nan 0.000 0.509 221 E N 0.681 120.864 120.200 -0.029 0.000 2.442 221 E HA 0.369 4.718 4.350 -0.001 0.000 0.262 221 E C -0.169 176.396 176.600 -0.059 0.000 1.004 221 E CA -0.035 56.333 56.400 -0.054 0.000 0.928 221 E CB 0.654 30.304 29.700 -0.083 0.000 0.937 221 E HN 0.195 nan 8.360 nan 0.000 0.446 222 V N 5.338 125.213 119.914 -0.065 0.000 2.417 222 V HA 0.325 4.445 4.120 -0.001 0.000 0.291 222 V C -0.144 175.893 176.094 -0.094 0.000 1.024 222 V CA -0.561 61.704 62.300 -0.058 0.000 0.861 222 V CB 1.542 33.345 31.823 -0.034 0.000 0.985 222 V HN 0.642 nan 8.190 nan 0.000 0.436 223 K N 3.717 124.053 120.400 -0.107 0.000 2.259 223 K HA 0.646 4.965 4.320 -0.001 0.000 0.249 223 K C -0.965 175.614 176.600 -0.036 0.000 0.942 223 K CA -0.948 55.256 56.287 -0.140 0.000 0.816 223 K CB 2.559 34.833 32.500 -0.378 0.000 1.155 223 K HN 0.519 nan 8.250 nan 0.000 0.428 224 K N 1.832 122.221 120.400 -0.019 0.000 2.339 224 K HA 0.331 4.650 4.320 -0.001 0.000 0.264 224 K C -0.875 175.764 176.600 0.064 0.000 0.986 224 K CA -0.729 55.566 56.287 0.013 0.000 0.866 224 K CB 1.810 34.313 32.500 0.006 0.000 1.103 224 K HN 0.185 nan 8.250 nan 0.000 0.441 225 V N 4.799 124.757 119.914 0.074 0.000 2.407 225 V HA 0.248 4.367 4.120 -0.001 0.000 0.278 225 V C 0.441 176.735 176.094 0.334 0.000 1.037 225 V CA -0.934 61.474 62.300 0.180 0.000 0.900 225 V CB 0.894 32.807 31.823 0.150 0.000 0.983 225 V HN 0.626 nan 8.190 nan 0.000 0.459 226 I N 4.969 125.724 120.570 0.308 0.000 2.720 226 I HA 0.135 4.304 4.170 -0.001 0.000 0.287 226 I C 0.662 177.019 176.117 0.400 0.000 1.090 226 I CA -0.029 61.424 61.300 0.254 0.000 1.384 226 I CB 0.879 38.906 38.000 0.046 0.000 1.420 226 I HN 0.859 nan 8.210 nan 0.000 0.575 227 Y N 1.459 121.924 120.300 0.275 0.000 2.658 227 Y HA 0.485 5.034 4.550 -0.001 0.000 0.276 227 Y C 1.504 177.314 175.900 -0.150 0.000 1.167 227 Y CA -0.537 57.493 58.100 -0.117 0.000 1.230 227 Y CB -0.717 37.444 38.460 -0.499 0.000 1.144 227 Y HN 0.560 nan 8.280 nan 0.000 0.529 228 G N 1.850 110.573 108.800 -0.127 0.000 2.459 228 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.217 228 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.217 228 G C 0.359 175.233 174.900 -0.043 0.000 1.183 228 G CA 1.399 46.442 45.100 -0.096 0.000 0.776 228 G HN 0.558 nan 8.290 nan 0.000 0.552 229 D N -1.328 119.059 120.400 -0.022 0.000 3.216 229 D HA 0.163 4.803 4.640 -0.001 0.000 0.348 229 D C -0.242 176.061 176.300 0.005 0.000 1.407 229 D CA -0.653 53.338 54.000 -0.016 0.000 0.744 229 D CB -0.295 40.499 40.800 -0.010 0.000 1.264 229 D HN 0.215 nan 8.370 nan 0.000 0.543 230 V N 0.114 120.037 119.914 0.014 0.000 2.811 230 V HA 0.506 4.626 4.120 -0.001 0.000 0.302 230 V C -0.148 175.966 176.094 0.035 0.000 1.063 230 V CA 0.036 62.377 62.300 0.067 0.000 1.088 230 V CB 1.589 33.528 31.823 0.193 0.000 0.982 230 V HN 0.405 nan 8.190 nan 0.000 0.485 231 S N 6.705 122.427 115.700 0.037 0.000 2.566 231 S HA 0.581 5.050 4.470 -0.001 0.000 0.324 231 S C -0.957 173.637 174.600 -0.009 0.000 1.081 231 S CA -0.668 57.537 58.200 0.008 0.000 1.105 231 S CB 0.614 63.814 63.200 -0.001 0.000 0.981 231 S HN 0.839 nan 8.310 nan 0.000 0.464 232 L N 5.266 126.477 121.223 -0.021 0.000 2.362 232 L HA 0.763 5.102 4.340 -0.001 0.000 0.271 232 L C -0.619 176.159 176.870 -0.154 0.000 1.002 232 L CA -0.735 54.056 54.840 -0.082 0.000 0.818 232 L CB 1.558 43.596 42.059 -0.035 0.000 1.298 232 L HN 0.725 nan 8.230 nan 0.000 0.420 233 R N 3.354 123.741 120.500 -0.188 0.000 2.628 233 R HA 0.443 4.782 4.340 -0.001 0.000 0.288 233 R C -1.844 174.355 176.300 -0.169 0.000 0.980 233 R CA -0.601 55.408 56.100 -0.152 0.000 0.891 233 R CB 1.377 31.645 30.300 -0.054 0.000 1.188 233 R HN 0.490 nan 8.270 nan 0.000 0.450 234 F N 4.008 123.993 119.950 0.059 0.000 2.412 234 F HA 0.336 4.862 4.527 -0.001 0.000 0.348 234 F C 0.526 176.326 175.800 0.000 0.000 1.102 234 F CA -0.163 57.867 58.000 0.050 0.000 1.196 234 F CB 0.840 39.890 39.000 0.085 0.000 1.144 234 F HN 0.244 nan 8.300 nan 0.000 0.541 235 L N 0.000 121.339 121.223 0.194 0.000 2.949 235 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 235 L CA 0.000 54.893 54.840 0.088 0.000 0.813 235 L CB 0.000 42.095 42.059 0.059 0.000 0.961 235 L HN 0.000 nan 8.230 nan 0.000 0.502