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 3nm5_1_A DATA FIRST_RESID 2 DATA SEQUENCE QKIGILGAMR EEITPILELF GVDFEEIPLG GNVFHKGVYH NKEIIVAYSK DATA SEQUENCE IGKVHSTLTT TSMILAFGVQ KVLFSGVAGS LVKDLKINDL LVATQLVQHD DATA SEQUENCE VDLSAFDHPL GFIPESAIFI ETSGSLNALA KKIANEQHIA LKEGVIASGD DATA SEQUENCE QFVHSKERKE FLVSEFKASA VEMEGASVAF VCQKFGVPCC VLRSISDNAD DATA SEQUENCE EKAGMSFDEF LEKSAHTSAK FLKSMVDEL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 176.015 176.000 0.026 0.000 1.003 2 Q CA 0.000 55.817 55.803 0.023 0.000 1.022 2 Q CB 0.000 28.755 28.738 0.028 0.000 1.108 3 K N 4.052 124.468 120.400 0.027 0.000 2.358 3 K HA 0.591 4.912 4.320 0.002 0.000 0.260 3 K C -0.756 175.863 176.600 0.031 0.000 0.956 3 K CA -0.437 55.868 56.287 0.029 0.000 0.834 3 K CB 1.422 33.942 32.500 0.033 0.000 1.102 3 K HN 0.438 nan 8.250 nan 0.000 0.431 4 I N 1.737 122.321 120.570 0.024 0.000 2.406 4 I HA 0.278 4.449 4.170 0.002 0.000 0.290 4 I C 0.435 176.565 176.117 0.022 0.000 0.999 4 I CA -0.843 60.474 61.300 0.029 0.000 1.124 4 I CB 2.022 40.041 38.000 0.031 0.000 1.289 4 I HN 0.635 nan 8.210 nan 0.000 0.441 5 G N 7.102 115.926 108.800 0.040 0.000 2.338 5 G HA2 0.706 4.667 3.960 0.002 0.000 0.298 5 G HA3 0.706 4.667 3.960 0.002 0.000 0.298 5 G C -0.667 174.268 174.900 0.059 0.000 1.140 5 G CA -0.330 44.796 45.100 0.044 0.000 0.860 5 G HN 0.510 nan 8.290 nan 0.000 0.470 6 I N 2.100 122.695 120.570 0.042 0.000 2.447 6 I HA 0.377 4.548 4.170 0.002 0.000 0.287 6 I C -0.503 175.610 176.117 -0.007 0.000 1.023 6 I CA -0.485 60.835 61.300 0.034 0.000 1.083 6 I CB 2.039 40.067 38.000 0.047 0.000 1.245 6 I HN 0.112 nan 8.210 nan 0.000 0.434 7 L N 5.115 126.307 121.223 -0.051 0.000 2.381 7 L HA 0.839 5.180 4.340 0.002 0.000 0.268 7 L C 0.126 176.672 176.870 -0.539 0.000 0.997 7 L CA -0.438 54.328 54.840 -0.123 0.000 0.818 7 L CB 2.273 44.406 42.059 0.123 0.000 1.310 7 L HN 0.710 nan 8.230 nan 0.000 0.416 8 G N 0.101 108.643 108.800 -0.430 0.000 2.818 8 G HA2 0.603 4.564 3.960 0.002 0.000 0.286 8 G HA3 0.603 4.564 3.960 0.002 0.000 0.286 8 G C 0.007 174.826 174.900 -0.136 0.000 1.364 8 G CA 0.211 44.947 45.100 -0.607 0.000 0.938 8 G HN 0.663 nan 8.290 nan 0.000 0.490 9 A N -0.867 121.993 122.820 0.067 0.000 2.063 9 A HA 0.555 4.877 4.320 0.002 0.000 0.211 9 A C 0.963 178.660 177.584 0.189 0.000 1.177 9 A CA 0.693 52.886 52.037 0.260 0.000 0.759 9 A CB -0.073 19.145 19.000 0.362 0.000 0.857 9 A HN 0.502 nan 8.150 nan 0.000 0.468 10 M N -2.289 117.315 119.600 0.007 0.000 2.591 10 M HA 0.389 4.870 4.480 0.002 0.000 0.306 10 M C 0.718 176.623 176.300 -0.659 0.000 1.190 10 M CA -0.724 54.406 55.300 -0.283 0.000 0.889 10 M CB 2.172 34.706 32.600 -0.109 0.000 1.728 10 M HN 0.200 nan 8.290 nan 0.000 0.458 11 R N 1.051 120.814 120.500 -1.229 0.000 2.103 11 R HA -0.178 4.163 4.340 0.002 0.000 0.242 11 R C 1.211 177.281 176.300 -0.383 0.000 1.142 11 R CA 2.299 57.849 56.100 -0.917 0.000 0.960 11 R CB 0.039 29.919 30.300 -0.700 0.000 0.858 11 R HN 0.671 nan 8.270 nan 0.000 0.439 12 E N 0.186 120.215 120.200 -0.286 0.000 2.267 12 E HA -0.176 4.175 4.350 0.002 0.000 0.197 12 E C 1.511 178.025 176.600 -0.143 0.000 0.998 12 E CA 1.584 57.881 56.400 -0.172 0.000 0.830 12 E CB 0.052 29.669 29.700 -0.137 0.000 0.751 12 E HN 0.549 nan 8.360 nan 0.000 0.491 13 E N -0.509 119.595 120.200 -0.160 0.000 2.318 13 E HA 0.013 4.364 4.350 0.002 0.000 0.193 13 E C 1.797 178.307 176.600 -0.150 0.000 0.998 13 E CA 0.636 56.956 56.400 -0.133 0.000 0.859 13 E CB 0.148 29.773 29.700 -0.124 0.000 0.812 13 E HN 0.470 nan 8.360 nan 0.000 0.492 14 I N -3.221 117.253 120.570 -0.159 0.000 4.035 14 I HA 0.156 4.327 4.170 0.002 0.000 0.321 14 I C 1.752 177.759 176.117 -0.182 0.000 1.289 14 I CA 0.115 61.319 61.300 -0.161 0.000 1.236 14 I CB 0.315 38.231 38.000 -0.140 0.000 1.076 14 I HN -0.213 nan 8.210 nan 0.000 0.418 15 T N 2.816 117.272 114.554 -0.163 0.000 2.684 15 T HA -0.035 4.316 4.350 0.002 0.000 0.267 15 T C -0.424 174.212 174.700 -0.107 0.000 1.036 15 T CA 2.222 64.237 62.100 -0.142 0.000 1.148 15 T CB -1.221 67.581 68.868 -0.110 0.000 0.863 15 T HN 0.348 nan 8.240 nan 0.000 0.436 16 P HA 0.041 nan 4.420 nan 0.000 0.218 16 P C 1.437 178.652 177.300 -0.141 0.000 1.149 16 P CA 0.872 63.932 63.100 -0.068 0.000 0.817 16 P CB -0.203 31.457 31.700 -0.067 0.000 0.785 17 I N -1.194 119.283 120.570 -0.155 0.000 2.202 17 I HA -0.217 3.954 4.170 0.002 0.000 0.242 17 I C 2.345 178.428 176.117 -0.056 0.000 1.091 17 I CA 1.298 62.506 61.300 -0.154 0.000 1.368 17 I CB -0.663 37.287 38.000 -0.083 0.000 1.058 17 I HN -0.133 nan 8.210 nan 0.000 0.410 18 L N 0.276 121.436 121.223 -0.105 0.000 2.042 18 L HA -0.232 4.109 4.340 0.002 0.000 0.210 18 L C 2.471 179.400 176.870 0.098 0.000 1.076 18 L CA 1.555 56.336 54.840 -0.099 0.000 0.749 18 L CB -0.646 41.186 42.059 -0.379 0.000 0.893 18 L HN 0.273 nan 8.230 nan 0.000 0.432 19 E N 0.126 120.329 120.200 0.005 0.000 2.072 19 E HA -0.191 4.160 4.350 0.002 0.000 0.191 19 E C 2.369 178.977 176.600 0.014 0.000 0.985 19 E CA 0.940 57.359 56.400 0.031 0.000 0.801 19 E CB -0.127 29.578 29.700 0.007 0.000 0.750 19 E HN 0.417 nan 8.360 nan 0.000 0.452 20 L N -0.034 121.131 121.223 -0.096 0.000 2.042 20 L HA -0.191 4.150 4.340 0.002 0.000 0.210 20 L C 2.223 178.959 176.870 -0.223 0.000 1.076 20 L CA 1.045 55.759 54.840 -0.211 0.000 0.749 20 L CB -0.311 41.508 42.059 -0.400 0.000 0.893 20 L HN 0.115 nan 8.230 nan 0.000 0.432 21 F N 0.072 119.987 119.950 -0.059 0.000 2.234 21 F HA 0.010 4.538 4.527 0.002 0.000 0.299 21 F C 2.065 177.905 175.800 0.067 0.000 1.087 21 F CA 1.013 58.936 58.000 -0.128 0.000 1.340 21 F CB -1.031 37.888 39.000 -0.135 0.000 1.031 21 F HN 0.197 nan 8.300 nan 0.000 0.500 22 G N 0.579 109.548 108.800 0.281 0.000 2.203 22 G HA2 -0.225 3.736 3.960 0.002 0.000 0.263 22 G HA3 -0.225 3.736 3.960 0.002 0.000 0.263 22 G C 0.235 175.230 174.900 0.158 0.000 1.012 22 G CA 0.374 45.594 45.100 0.200 0.000 0.749 22 G HN 0.559 nan 8.290 nan 0.000 0.512 23 V N -3.830 116.151 119.914 0.111 0.000 3.211 23 V HA 0.804 4.925 4.120 0.002 0.000 0.319 23 V C 0.246 176.217 176.094 -0.204 0.000 1.096 23 V CA -1.503 60.741 62.300 -0.093 0.000 1.029 23 V CB 1.607 33.300 31.823 -0.217 0.000 1.137 23 V HN 0.030 nan 8.190 nan 0.000 0.453 24 D N 0.934 121.209 120.400 -0.207 0.000 2.350 24 D HA 0.457 5.098 4.640 0.002 0.000 0.249 24 D C -0.934 175.186 176.300 -0.301 0.000 1.119 24 D CA 0.648 54.575 54.000 -0.122 0.000 0.886 24 D CB 0.879 41.648 40.800 -0.052 0.000 1.195 24 D HN 0.480 nan 8.370 nan 0.000 0.437 25 F N 0.696 120.689 119.950 0.071 0.000 2.482 25 F HA 0.188 4.716 4.527 0.002 0.000 0.331 25 F C 0.870 176.721 175.800 0.086 0.000 1.115 25 F CA -0.928 57.125 58.000 0.090 0.000 0.955 25 F CB 1.571 40.659 39.000 0.147 0.000 1.136 25 F HN 0.140 nan 8.300 nan 0.000 0.452 26 E N 2.916 123.256 120.200 0.233 0.000 2.259 26 E HA 0.180 4.531 4.350 0.002 0.000 0.281 26 E C -0.945 175.734 176.600 0.133 0.000 1.027 26 E CA -0.402 56.090 56.400 0.152 0.000 0.838 26 E CB 0.757 30.522 29.700 0.108 0.000 1.066 26 E HN 0.631 nan 8.360 nan 0.000 0.401 27 E N 4.386 124.623 120.200 0.063 0.000 2.146 27 E HA 0.319 4.670 4.350 0.002 0.000 0.282 27 E C -0.578 176.022 176.600 0.000 0.000 0.989 27 E CA -0.279 56.084 56.400 -0.061 0.000 0.799 27 E CB 1.256 30.899 29.700 -0.095 0.000 1.088 27 E HN 0.434 nan 8.360 nan 0.000 0.397 28 I N 5.554 126.144 120.570 0.033 0.000 2.439 28 I HA 0.275 4.446 4.170 0.002 0.000 0.283 28 I C -2.322 173.916 176.117 0.203 0.000 1.023 28 I CA -2.367 59.024 61.300 0.151 0.000 1.100 28 I CB 1.778 39.955 38.000 0.296 0.000 1.238 28 I HN 0.257 nan 8.210 nan 0.000 0.445 29 P HA 0.443 nan 4.420 nan 0.000 0.284 29 P C -1.144 176.273 177.300 0.196 0.000 1.253 29 P CA -0.523 62.651 63.100 0.124 0.000 0.800 29 P CB 2.240 33.969 31.700 0.048 0.000 0.961 30 L N 1.831 123.210 121.223 0.260 0.000 2.705 30 L HA 0.488 4.829 4.340 0.002 0.000 0.260 30 L C 0.444 177.467 176.870 0.255 0.000 0.921 30 L CA 0.696 55.684 54.840 0.247 0.000 0.948 30 L CB 1.216 43.436 42.059 0.269 0.000 1.427 30 L HN 0.667 nan 8.230 nan 0.000 0.432 31 G N 3.029 111.916 108.800 0.146 0.000 2.283 31 G HA2 0.102 4.063 3.960 0.002 0.000 0.280 31 G HA3 0.102 4.063 3.960 0.002 0.000 0.280 31 G C 1.189 176.146 174.900 0.094 0.000 1.029 31 G CA 1.070 46.245 45.100 0.124 0.000 0.840 31 G HN 2.401 nan 8.290 nan 0.000 0.505 32 G N -1.945 106.889 108.800 0.057 0.000 2.162 32 G HA2 -0.298 3.663 3.960 0.002 0.000 0.260 32 G HA3 -0.298 3.663 3.960 0.002 0.000 0.260 32 G C 0.152 175.006 174.900 -0.077 0.000 0.976 32 G CA 0.827 45.932 45.100 0.008 0.000 0.655 32 G HN 1.181 nan 8.290 nan 0.000 0.533 33 N N -1.420 117.221 118.700 -0.098 0.000 2.432 33 N HA 0.647 5.388 4.740 0.002 0.000 0.292 33 N C -0.617 174.690 175.510 -0.337 0.000 1.193 33 N CA -0.703 52.140 53.050 -0.345 0.000 0.878 33 N CB 2.406 40.535 38.487 -0.598 0.000 1.252 33 N HN 0.047 nan 8.380 nan 0.000 0.520 34 V N 2.100 121.715 119.914 -0.498 0.000 2.384 34 V HA 0.405 4.526 4.120 0.002 0.000 0.287 34 V C -0.974 174.750 176.094 -0.616 0.000 1.020 34 V CA -0.534 61.524 62.300 -0.402 0.000 0.850 34 V CB 0.104 31.727 31.823 -0.334 0.000 0.987 34 V HN 0.507 nan 8.190 nan 0.000 0.436 35 F N 3.489 123.270 119.950 -0.282 0.000 2.408 35 F HA 0.489 5.017 4.527 0.002 0.000 0.344 35 F C 0.813 176.383 175.800 -0.383 0.000 1.112 35 F CA -0.442 57.354 58.000 -0.339 0.000 1.096 35 F CB 0.932 39.609 39.000 -0.539 0.000 1.129 35 F HN 0.451 nan 8.300 nan 0.000 0.486 36 H N 2.904 121.954 119.070 -0.034 0.000 2.581 36 H HA 0.229 4.786 4.556 0.002 0.000 0.308 36 H C -0.507 174.932 175.328 0.185 0.000 1.040 36 H CA -0.662 55.393 56.048 0.012 0.000 1.231 36 H CB 1.623 31.210 29.762 -0.291 0.000 1.396 36 H HN 0.518 nan 8.280 nan 0.000 0.467 37 K N 2.889 123.492 120.400 0.338 0.000 2.265 37 K HA 0.512 4.833 4.320 0.002 0.000 0.267 37 K C -0.488 176.250 176.600 0.229 0.000 0.994 37 K CA -0.669 55.766 56.287 0.247 0.000 0.860 37 K CB 1.186 33.781 32.500 0.158 0.000 1.099 37 K HN 0.773 nan 8.250 nan 0.000 0.448 38 G N 1.465 110.314 108.800 0.083 0.000 2.694 38 G HA2 0.513 4.474 3.960 0.002 0.000 0.290 38 G HA3 0.513 4.474 3.960 0.002 0.000 0.290 38 G C -1.617 173.176 174.900 -0.178 0.000 1.386 38 G CA -0.612 44.318 45.100 -0.284 0.000 0.872 38 G HN 0.396 nan 8.290 nan 0.000 0.475 39 V N 0.699 120.500 119.914 -0.188 0.000 2.384 39 V HA 0.469 4.590 4.120 0.002 0.000 0.287 39 V C -1.353 174.713 176.094 -0.046 0.000 1.020 39 V CA -0.686 61.560 62.300 -0.089 0.000 0.850 39 V CB 1.238 33.017 31.823 -0.073 0.000 0.987 39 V HN 0.680 nan 8.190 nan 0.000 0.436 40 Y N 4.972 125.192 120.300 -0.135 0.000 2.363 40 Y HA 0.565 5.116 4.550 0.002 0.000 0.325 40 Y C 0.485 176.440 175.900 0.091 0.000 0.984 40 Y CA -0.435 57.635 58.100 -0.050 0.000 1.248 40 Y CB 0.327 38.735 38.460 -0.085 0.000 1.116 40 Y HN 0.944 nan 8.280 nan 0.000 0.470 41 H N 0.897 119.754 119.070 -0.355 0.000 1.452 41 H HA -0.345 4.212 4.556 0.002 0.000 0.090 41 H C 0.822 176.070 175.328 -0.134 0.000 0.629 41 H CA 2.370 58.247 56.048 -0.284 0.000 1.901 41 H CB -0.726 28.800 29.762 -0.393 0.000 2.257 41 H HN 0.695 nan 8.280 nan 0.000 0.961 42 N N 2.340 121.078 118.700 0.064 0.000 2.276 42 N HA 0.122 4.863 4.740 0.002 0.000 0.212 42 N C -0.754 174.774 175.510 0.030 0.000 1.127 42 N CA 0.293 53.358 53.050 0.026 0.000 0.834 42 N CB 0.604 39.104 38.487 0.023 0.000 1.014 42 N HN 0.389 nan 8.380 nan 0.000 0.491 43 K N 0.368 120.798 120.400 0.050 0.000 2.259 43 K HA 0.230 4.551 4.320 0.002 0.000 0.252 43 K C -0.867 175.750 176.600 0.029 0.000 0.936 43 K CA -0.655 55.662 56.287 0.051 0.000 0.810 43 K CB 2.338 34.891 32.500 0.087 0.000 1.143 43 K HN 0.103 nan 8.250 nan 0.000 0.427 44 E N 4.460 124.669 120.200 0.015 0.000 2.194 44 E HA 0.211 4.562 4.350 0.002 0.000 0.284 44 E C -0.764 175.831 176.600 -0.008 0.000 1.035 44 E CA -0.605 55.797 56.400 0.003 0.000 0.836 44 E CB 0.557 30.268 29.700 0.018 0.000 1.070 44 E HN 0.500 nan 8.360 nan 0.000 0.401 45 I N 2.143 122.691 120.570 -0.037 0.000 2.441 45 I HA 0.483 4.654 4.170 0.002 0.000 0.295 45 I C -0.787 175.345 176.117 0.024 0.000 0.994 45 I CA -1.064 60.200 61.300 -0.060 0.000 1.144 45 I CB 1.417 39.262 38.000 -0.258 0.000 1.314 45 I HN 0.328 nan 8.210 nan 0.000 0.445 46 I N 6.759 127.327 120.570 -0.003 0.000 2.410 46 I HA 0.434 4.605 4.170 0.002 0.000 0.286 46 I C -0.293 175.820 176.117 -0.006 0.000 1.009 46 I CA -0.667 60.614 61.300 -0.032 0.000 1.111 46 I CB 1.606 39.503 38.000 -0.172 0.000 1.262 46 I HN 0.404 nan 8.210 nan 0.000 0.443 47 V N 5.205 125.126 119.914 0.012 0.000 2.495 47 V HA 0.926 5.047 4.120 0.002 0.000 0.298 47 V C 0.139 176.227 176.094 -0.011 0.000 1.031 47 V CA -0.488 61.792 62.300 -0.035 0.000 0.871 47 V CB 1.796 33.517 31.823 -0.170 0.000 0.988 47 V HN 0.902 nan 8.190 nan 0.000 0.432 48 A N 3.882 126.663 122.820 -0.065 0.000 2.594 48 A HA 0.851 5.173 4.320 0.002 0.000 0.295 48 A C -1.471 176.048 177.584 -0.109 0.000 1.071 48 A CA -0.662 51.266 52.037 -0.181 0.000 0.685 48 A CB 1.650 20.317 19.000 -0.555 0.000 1.285 48 A HN 1.189 nan 8.150 nan 0.000 0.405 49 Y N 0.295 120.485 120.300 -0.184 0.000 2.361 49 Y HA 0.593 5.145 4.550 0.002 0.000 0.332 49 Y C 1.015 176.827 175.900 -0.145 0.000 1.101 49 Y CA -0.128 57.884 58.100 -0.147 0.000 1.137 49 Y CB 1.621 40.006 38.460 -0.125 0.000 1.207 49 Y HN 0.637 nan 8.280 nan 0.000 0.463 50 S N 1.310 117.033 115.700 0.038 0.000 2.478 50 S HA 0.208 4.679 4.470 0.002 0.000 0.222 50 S C -0.155 174.365 174.600 -0.133 0.000 1.008 50 S CA 0.398 58.580 58.200 -0.030 0.000 0.928 50 S CB -0.494 62.792 63.200 0.143 0.000 0.781 50 S HN 0.798 nan 8.310 nan 0.000 0.518 51 K N -0.465 119.954 120.400 0.030 0.000 6.247 51 K HA -0.090 4.231 4.320 0.002 0.000 0.784 51 K C -1.077 175.542 176.600 0.031 0.000 2.569 51 K CA 0.402 56.616 56.287 -0.122 0.000 1.719 51 K CB -1.027 30.990 32.500 -0.805 0.000 2.440 51 K HN 0.321 nan 8.250 nan 0.000 0.270 52 I N 1.429 122.089 120.570 0.150 0.000 2.634 52 I HA 0.362 4.533 4.170 0.002 0.000 0.284 52 I C 1.116 177.422 176.117 0.316 0.000 1.124 52 I CA 1.498 62.939 61.300 0.236 0.000 1.417 52 I CB 0.726 38.830 38.000 0.172 0.000 1.396 52 I HN 0.827 nan 8.210 nan 0.000 0.571 53 G N 5.051 113.977 108.800 0.211 0.000 2.525 53 G HA2 -0.156 3.805 3.960 0.002 0.000 0.685 53 G HA3 -0.156 3.805 3.960 0.002 0.000 0.685 53 G C 0.098 175.055 174.900 0.096 0.000 1.290 53 G CA -0.540 44.638 45.100 0.130 0.000 0.915 53 G HN 0.594 nan 8.290 nan 0.000 0.548 54 K N -0.599 119.812 120.400 0.020 0.000 2.031 54 K HA 0.054 4.375 4.320 0.002 0.000 0.205 54 K C 2.657 179.261 176.600 0.005 0.000 1.049 54 K CA 1.621 57.902 56.287 -0.010 0.000 0.939 54 K CB -0.261 32.197 32.500 -0.069 0.000 0.717 54 K HN 0.306 nan 8.250 nan 0.000 0.438 55 V N 0.991 120.888 119.914 -0.029 0.000 2.307 55 V HA -0.256 3.865 4.120 0.002 0.000 0.245 55 V C 1.957 178.068 176.094 0.030 0.000 1.045 55 V CA 1.786 64.063 62.300 -0.038 0.000 1.024 55 V CB -0.637 31.119 31.823 -0.112 0.000 0.651 55 V HN 0.343 nan 8.190 nan 0.000 0.449 56 H N 0.622 119.721 119.070 0.047 0.000 2.289 56 H HA -0.174 4.383 4.556 0.002 0.000 0.296 56 H C 2.545 177.923 175.328 0.084 0.000 1.091 56 H CA 1.927 58.012 56.048 0.062 0.000 1.274 56 H CB -0.056 29.749 29.762 0.072 0.000 1.364 56 H HN 0.586 nan 8.280 nan 0.000 0.490 57 S N -0.458 115.383 115.700 0.235 0.000 2.402 57 S HA -0.142 4.329 4.470 0.002 0.000 0.229 57 S C 2.092 176.796 174.600 0.172 0.000 1.021 57 S CA 1.414 59.734 58.200 0.199 0.000 0.974 57 S CB -0.444 62.858 63.200 0.170 0.000 0.800 57 S HN 0.304 nan 8.310 nan 0.000 0.484 58 T N 3.057 117.695 114.554 0.140 0.000 2.708 58 T HA -0.005 4.346 4.350 0.002 0.000 0.266 58 T C 1.690 176.490 174.700 0.167 0.000 1.037 58 T CA 1.433 63.621 62.100 0.147 0.000 1.146 58 T CB -0.615 68.316 68.868 0.105 0.000 0.865 58 T HN 0.328 nan 8.240 nan 0.000 0.435 59 L N 1.310 122.625 121.223 0.153 0.000 2.017 59 L HA -0.073 4.268 4.340 0.002 0.000 0.208 59 L C 2.430 179.414 176.870 0.191 0.000 1.073 59 L CA 1.990 56.925 54.840 0.158 0.000 0.745 59 L CB -1.461 40.686 42.059 0.146 0.000 0.894 59 L HN 0.178 nan 8.230 nan 0.000 0.432 60 T N -0.935 113.740 114.554 0.201 0.000 2.746 60 T HA -0.155 4.196 4.350 0.002 0.000 0.267 60 T C 1.699 176.562 174.700 0.272 0.000 1.039 60 T CA 1.919 64.165 62.100 0.244 0.000 1.142 60 T CB -0.587 68.365 68.868 0.140 0.000 0.866 60 T HN 0.470 nan 8.240 nan 0.000 0.444 61 T N 1.817 116.503 114.554 0.220 0.000 2.821 61 T HA -0.092 4.259 4.350 0.002 0.000 0.267 61 T C 2.284 177.070 174.700 0.144 0.000 1.046 61 T CA 1.495 63.714 62.100 0.197 0.000 1.139 61 T CB -0.624 68.365 68.868 0.200 0.000 0.871 61 T HN 0.400 nan 8.240 nan 0.000 0.454 62 T N 1.888 116.534 114.554 0.153 0.000 2.777 62 T HA -0.066 4.285 4.350 0.002 0.000 0.266 62 T C 2.440 177.134 174.700 -0.010 0.000 1.040 62 T CA 1.265 63.411 62.100 0.078 0.000 1.141 62 T CB -0.366 68.609 68.868 0.179 0.000 0.868 62 T HN 0.307 nan 8.240 nan 0.000 0.444 63 S N 1.161 116.916 115.700 0.092 0.000 2.368 63 S HA -0.041 4.430 4.470 0.002 0.000 0.225 63 S C 2.050 176.661 174.600 0.018 0.000 1.030 63 S CA 1.111 59.350 58.200 0.065 0.000 0.999 63 S CB -0.399 62.936 63.200 0.224 0.000 0.844 63 S HN 0.382 nan 8.310 nan 0.000 0.459 64 M N 0.778 120.435 119.600 0.095 0.000 2.080 64 M HA -0.113 4.368 4.480 0.002 0.000 0.260 64 M C 1.785 178.104 176.300 0.031 0.000 1.068 64 M CA 1.603 56.948 55.300 0.075 0.000 1.109 64 M CB -0.287 32.395 32.600 0.136 0.000 1.342 64 M HN 0.279 nan 8.290 nan 0.000 0.405 65 I N -0.371 120.156 120.570 -0.071 0.000 2.193 65 I HA -0.302 3.869 4.170 0.002 0.000 0.240 65 I C 2.104 178.068 176.117 -0.254 0.000 1.084 65 I CA 1.139 62.322 61.300 -0.195 0.000 1.365 65 I CB -0.318 37.453 38.000 -0.383 0.000 1.064 65 I HN 0.310 nan 8.210 nan 0.000 0.410 66 L N 0.224 121.259 121.223 -0.313 0.000 2.095 66 L HA -0.073 4.268 4.340 0.002 0.000 0.204 66 L C 2.665 179.406 176.870 -0.215 0.000 1.080 66 L CA 1.205 55.883 54.840 -0.270 0.000 0.759 66 L CB -0.566 41.348 42.059 -0.242 0.000 0.914 66 L HN 0.204 nan 8.230 nan 0.000 0.439 67 A N -1.119 121.555 122.820 -0.243 0.000 2.030 67 A HA 0.014 4.335 4.320 0.002 0.000 0.215 67 A C 1.650 178.860 177.584 -0.623 0.000 1.164 67 A CA 0.884 52.656 52.037 -0.443 0.000 0.697 67 A CB -0.212 18.444 19.000 -0.574 0.000 0.827 67 A HN 0.364 nan 8.150 nan 0.000 0.457 68 F N -1.321 118.487 119.950 -0.237 0.000 2.728 68 F HA 0.365 4.893 4.527 0.002 0.000 0.314 68 F C 1.671 177.395 175.800 -0.127 0.000 1.094 68 F CA 0.362 58.247 58.000 -0.191 0.000 1.217 68 F CB 0.456 39.315 39.000 -0.236 0.000 1.056 68 F HN 0.284 nan 8.300 nan 0.000 0.577 69 G N 1.942 110.745 108.800 0.006 0.000 2.249 69 G HA2 -0.255 3.706 3.960 0.002 0.000 0.273 69 G HA3 -0.255 3.706 3.960 0.002 0.000 0.273 69 G C 0.214 175.122 174.900 0.014 0.000 1.036 69 G CA 0.155 45.245 45.100 -0.016 0.000 0.824 69 G HN 0.471 nan 8.290 nan 0.000 0.504 70 V N -2.868 117.064 119.914 0.030 0.000 2.872 70 V HA 0.422 4.543 4.120 0.002 0.000 0.307 70 V C 1.090 177.199 176.094 0.025 0.000 1.072 70 V CA 0.916 63.236 62.300 0.033 0.000 1.148 70 V CB 1.154 33.000 31.823 0.039 0.000 0.954 70 V HN 0.411 nan 8.190 nan 0.000 0.490 71 Q N 1.967 121.786 119.800 0.032 0.000 2.319 71 Q HA 0.365 4.707 4.340 0.002 0.000 0.209 71 Q C -0.001 176.027 176.000 0.045 0.000 0.884 71 Q CA 0.358 56.182 55.803 0.035 0.000 0.938 71 Q CB 0.608 29.364 28.738 0.031 0.000 1.098 71 Q HN 0.820 nan 8.270 nan 0.000 0.517 72 K N 0.001 120.432 120.400 0.052 0.000 2.551 72 K HA 0.524 4.845 4.320 0.002 0.000 0.269 72 K C -1.672 174.973 176.600 0.075 0.000 0.949 72 K CA -0.599 55.727 56.287 0.064 0.000 0.849 72 K CB 3.010 35.548 32.500 0.063 0.000 1.411 72 K HN -0.249 nan 8.250 nan 0.000 0.432 73 V N 3.432 123.403 119.914 0.094 0.000 2.483 73 V HA 0.450 4.571 4.120 0.002 0.000 0.297 73 V C -0.919 175.257 176.094 0.138 0.000 1.027 73 V CA -0.813 61.557 62.300 0.117 0.000 0.855 73 V CB 1.488 33.392 31.823 0.135 0.000 0.995 73 V HN 0.530 nan 8.190 nan 0.000 0.424 74 L N 5.218 126.525 121.223 0.139 0.000 2.313 74 L HA 0.600 4.941 4.340 0.002 0.000 0.283 74 L C -0.932 176.046 176.870 0.180 0.000 1.013 74 L CA -0.344 54.590 54.840 0.157 0.000 0.816 74 L CB 1.794 43.929 42.059 0.128 0.000 1.236 74 L HN 0.570 nan 8.230 nan 0.000 0.419 75 F N 2.610 122.611 119.950 0.085 0.000 2.458 75 F HA 0.581 5.109 4.527 0.001 0.000 0.336 75 F C 0.027 175.873 175.800 0.075 0.000 1.114 75 F CA -0.159 57.889 58.000 0.080 0.000 0.987 75 F CB 1.849 40.898 39.000 0.082 0.000 1.130 75 F HN 0.410 nan 8.300 nan 0.000 0.458 76 S N 4.189 119.662 115.700 -0.379 0.000 2.557 76 S HA 0.928 5.399 4.470 0.002 0.000 0.291 76 S C -0.515 173.944 174.600 -0.235 0.000 1.116 76 S CA 0.236 58.358 58.200 -0.131 0.000 0.992 76 S CB 1.246 64.385 63.200 -0.102 0.000 1.028 76 S HN 1.311 nan 8.310 nan 0.000 0.484 77 G N 1.695 110.541 108.800 0.077 0.000 2.348 77 G HA2 0.532 4.493 3.960 0.002 0.000 0.296 77 G HA3 0.532 4.493 3.960 0.002 0.000 0.296 77 G C -0.920 174.083 174.900 0.172 0.000 1.258 77 G CA 0.105 45.287 45.100 0.136 0.000 0.868 77 G HN 1.674 nan 8.290 nan 0.000 0.488 78 V N -2.622 117.415 119.914 0.205 0.000 3.103 78 V HA 1.048 5.169 4.120 0.002 0.000 0.318 78 V C 0.196 176.420 176.094 0.217 0.000 1.114 78 V CA -0.053 62.354 62.300 0.179 0.000 1.020 78 V CB 1.182 33.093 31.823 0.146 0.000 1.085 78 V HN 2.568 nan 8.190 nan 0.000 0.446 79 A N 0.575 123.498 122.820 0.173 0.000 2.599 79 A HA 0.911 5.232 4.320 0.002 0.000 0.290 79 A C -0.173 177.471 177.584 0.099 0.000 1.101 79 A CA -0.319 51.798 52.037 0.134 0.000 0.674 79 A CB 1.096 20.147 19.000 0.084 0.000 1.277 79 A HN 2.062 nan 8.150 nan 0.000 0.419 80 G N 0.152 108.970 108.800 0.030 0.000 2.356 80 G HA2 0.508 4.469 3.960 0.002 0.000 0.298 80 G HA3 0.508 4.469 3.960 0.002 0.000 0.298 80 G C 0.080 174.972 174.900 -0.013 0.000 1.145 80 G CA 0.437 45.531 45.100 -0.009 0.000 0.850 80 G HN 1.143 nan 8.290 nan 0.000 0.487 81 S N 1.208 116.905 115.700 -0.006 0.000 2.545 81 S HA 0.286 4.757 4.470 0.002 0.000 0.275 81 S C 1.080 175.670 174.600 -0.017 0.000 1.299 81 S CA -0.719 57.473 58.200 -0.013 0.000 1.048 81 S CB 0.581 63.771 63.200 -0.016 0.000 0.938 81 S HN 0.432 nan 8.310 nan 0.000 0.496 82 L N 4.561 125.775 121.223 -0.016 0.000 2.766 82 L HA 0.321 4.662 4.340 0.002 0.000 0.242 82 L C -0.298 176.565 176.870 -0.012 0.000 1.136 82 L CA -0.263 54.568 54.840 -0.016 0.000 0.933 82 L CB 0.676 42.726 42.059 -0.016 0.000 1.241 82 L HN 0.587 nan 8.230 nan 0.000 0.522 83 V N -4.432 115.474 119.914 -0.012 0.000 2.876 83 V HA 0.391 4.512 4.120 0.002 0.000 0.312 83 V C 0.729 176.815 176.094 -0.014 0.000 1.085 83 V CA -1.043 61.250 62.300 -0.012 0.000 0.945 83 V CB 2.250 34.065 31.823 -0.012 0.000 1.017 83 V HN 0.039 nan 8.190 nan 0.000 0.428 84 K N 1.854 122.246 120.400 -0.012 0.000 2.113 84 K HA -0.192 4.130 4.320 0.002 0.000 0.208 84 K C 1.429 178.019 176.600 -0.017 0.000 1.047 84 K CA 2.489 58.768 56.287 -0.013 0.000 0.928 84 K CB -0.064 32.430 32.500 -0.010 0.000 0.716 84 K HN 1.024 nan 8.250 nan 0.000 0.446 85 D N -0.124 120.266 120.400 -0.017 0.000 2.328 85 D HA -0.080 4.561 4.640 0.002 0.000 0.226 85 D C -0.013 176.272 176.300 -0.025 0.000 1.066 85 D CA 0.151 54.139 54.000 -0.019 0.000 0.861 85 D CB -0.045 40.745 40.800 -0.017 0.000 0.912 85 D HN 0.199 nan 8.370 nan 0.000 0.521 86 L N 1.300 122.507 121.223 -0.026 0.000 2.272 86 L HA 0.239 4.580 4.340 0.002 0.000 0.284 86 L C 0.174 177.019 176.870 -0.041 0.000 1.045 86 L CA -0.496 54.324 54.840 -0.033 0.000 0.842 86 L CB 0.818 42.861 42.059 -0.027 0.000 1.224 86 L HN -0.248 nan 8.230 nan 0.000 0.430 87 K N 3.190 123.559 120.400 -0.052 0.000 2.106 87 K HA 0.452 4.773 4.320 0.002 0.000 0.246 87 K C 0.017 176.553 176.600 -0.106 0.000 0.987 87 K CA -1.007 55.236 56.287 -0.073 0.000 0.904 87 K CB 1.750 34.209 32.500 -0.069 0.000 1.071 87 K HN 0.308 nan 8.250 nan 0.000 0.453 88 I N 2.572 123.041 120.570 -0.168 0.000 2.906 88 I HA -0.239 3.932 4.170 0.002 0.000 0.302 88 I C 1.243 177.228 176.117 -0.221 0.000 1.220 88 I CA 0.985 62.119 61.300 -0.277 0.000 1.441 88 I CB -0.996 36.659 38.000 -0.575 0.000 1.336 88 I HN 0.762 nan 8.210 nan 0.000 0.565 89 N N 2.208 120.809 118.700 -0.165 0.000 2.967 89 N HA -0.176 4.565 4.740 0.002 0.000 0.212 89 N C -0.094 175.379 175.510 -0.061 0.000 0.884 89 N CA 1.268 54.265 53.050 -0.089 0.000 1.030 89 N CB -0.827 37.614 38.487 -0.076 0.000 1.018 89 N HN 0.690 nan 8.380 nan 0.000 0.596 90 D N 0.758 121.116 120.400 -0.070 0.000 2.423 90 D HA 0.221 4.862 4.640 0.002 0.000 0.238 90 D C 0.465 176.723 176.300 -0.071 0.000 1.142 90 D CA 0.311 54.273 54.000 -0.064 0.000 0.884 90 D CB 0.493 41.258 40.800 -0.059 0.000 1.199 90 D HN 0.268 nan 8.370 nan 0.000 0.438 91 L N 1.956 123.117 121.223 -0.103 0.000 2.322 91 L HA 0.449 4.790 4.340 0.002 0.000 0.279 91 L C -0.452 176.335 176.870 -0.139 0.000 1.036 91 L CA -0.906 53.844 54.840 -0.149 0.000 0.807 91 L CB 1.246 43.131 42.059 -0.289 0.000 1.226 91 L HN 0.152 nan 8.230 nan 0.000 0.433 92 L N 3.792 124.950 121.223 -0.108 0.000 2.408 92 L HA 0.622 4.963 4.340 0.002 0.000 0.268 92 L C -1.123 175.708 176.870 -0.064 0.000 0.986 92 L CA -0.413 54.382 54.840 -0.074 0.000 0.820 92 L CB 2.090 44.129 42.059 -0.033 0.000 1.303 92 L HN 0.291 nan 8.230 nan 0.000 0.411 93 V N 5.201 125.083 119.914 -0.055 0.000 2.435 93 V HA 0.853 4.974 4.120 0.002 0.000 0.290 93 V C 0.127 176.225 176.094 0.007 0.000 1.030 93 V CA -0.120 62.171 62.300 -0.014 0.000 0.881 93 V CB 1.488 33.307 31.823 -0.006 0.000 0.983 93 V HN 1.068 nan 8.190 nan 0.000 0.445 94 A N 4.215 127.050 122.820 0.026 0.000 2.354 94 A HA 0.513 4.834 4.320 0.002 0.000 0.281 94 A C 1.130 178.732 177.584 0.030 0.000 1.174 94 A CA 0.304 52.357 52.037 0.026 0.000 0.828 94 A CB 0.565 19.583 19.000 0.029 0.000 1.099 94 A HN 1.230 nan 8.150 nan 0.000 0.516 95 T N 0.420 114.986 114.554 0.021 0.000 3.031 95 T HA 0.184 4.535 4.350 0.002 0.000 0.254 95 T C 0.642 175.356 174.700 0.025 0.000 1.060 95 T CA 0.741 62.851 62.100 0.017 0.000 1.135 95 T CB -0.047 68.820 68.868 -0.002 0.000 0.896 95 T HN 0.684 nan 8.240 nan 0.000 0.472 96 Q N -0.028 119.792 119.800 0.034 0.000 2.416 96 Q HA 0.726 5.067 4.340 0.002 0.000 0.281 96 Q C -1.980 174.102 176.000 0.137 0.000 1.067 96 Q CA -0.934 54.919 55.803 0.084 0.000 0.809 96 Q CB 2.642 31.397 28.738 0.029 0.000 1.418 96 Q HN 0.175 nan 8.270 nan 0.000 0.411 97 L N 0.447 121.778 121.223 0.180 0.000 2.371 97 L HA 0.816 5.157 4.340 0.002 0.000 0.262 97 L C -1.119 175.799 176.870 0.080 0.000 1.006 97 L CA -0.834 54.077 54.840 0.119 0.000 0.818 97 L CB 2.149 44.233 42.059 0.042 0.000 1.354 97 L HN 0.414 nan 8.230 nan 0.000 0.415 98 V N 0.776 120.638 119.914 -0.087 0.000 3.007 98 V HA 0.485 4.606 4.120 0.002 0.000 0.311 98 V C -1.211 174.676 176.094 -0.345 0.000 1.120 98 V CA -0.409 61.671 62.300 -0.366 0.000 0.980 98 V CB 2.483 33.827 31.823 -0.798 0.000 1.033 98 V HN 0.819 nan 8.190 nan 0.000 0.429 99 Q N 3.273 122.846 119.800 -0.379 0.000 2.406 99 Q HA 0.243 4.584 4.340 0.002 0.000 0.242 99 Q C 0.355 176.127 176.000 -0.381 0.000 1.036 99 Q CA -0.171 55.427 55.803 -0.341 0.000 0.904 99 Q CB 0.587 29.150 28.738 -0.292 0.000 1.244 99 Q HN 0.990 nan 8.270 nan 0.000 0.478 100 H N 0.624 119.531 119.070 -0.273 0.000 2.547 100 H HA -0.050 4.508 4.556 0.002 0.000 0.272 100 H C 0.540 175.966 175.328 0.163 0.000 0.989 100 H CA 1.070 57.031 56.048 -0.146 0.000 1.214 100 H CB 0.258 30.043 29.762 0.037 0.000 1.389 100 H HN 0.509 nan 8.280 nan 0.000 0.577 101 D N 0.422 120.677 120.400 -0.242 0.000 2.363 101 D HA 0.039 4.680 4.640 0.002 0.000 0.214 101 D C 0.023 176.305 176.300 -0.031 0.000 1.093 101 D CA -0.312 53.642 54.000 -0.076 0.000 0.837 101 D CB -0.423 40.255 40.800 -0.203 0.000 0.948 101 D HN 0.234 nan 8.370 nan 0.000 0.507 102 V N 1.412 121.307 119.914 -0.032 0.000 2.508 102 V HA 0.225 4.346 4.120 0.002 0.000 0.281 102 V C -0.284 175.857 176.094 0.080 0.000 1.041 102 V CA 0.031 62.321 62.300 -0.017 0.000 1.016 102 V CB 1.101 32.876 31.823 -0.079 0.000 0.984 102 V HN 0.125 nan 8.190 nan 0.000 0.478 103 D N 5.167 125.610 120.400 0.072 0.000 2.336 103 D HA 0.285 4.926 4.640 0.002 0.000 0.248 103 D C -0.269 176.109 176.300 0.130 0.000 1.326 103 D CA -0.322 53.745 54.000 0.112 0.000 0.973 103 D CB 1.060 41.906 40.800 0.076 0.000 1.255 103 D HN 0.400 nan 8.370 nan 0.000 0.558 104 L N 2.770 124.116 121.223 0.205 0.000 3.062 104 L HA 0.134 4.475 4.340 0.002 0.000 0.255 104 L C 1.855 178.924 176.870 0.332 0.000 1.274 104 L CA -0.135 54.901 54.840 0.326 0.000 1.047 104 L CB 0.276 42.601 42.059 0.443 0.000 1.402 104 L HN 0.297 nan 8.230 nan 0.000 0.550 105 S N -0.430 115.381 115.700 0.184 0.000 2.442 105 S HA -0.176 4.295 4.470 0.002 0.000 0.236 105 S C 2.107 176.714 174.600 0.011 0.000 1.007 105 S CA 0.847 59.115 58.200 0.114 0.000 0.965 105 S CB -0.054 63.191 63.200 0.077 0.000 0.773 105 S HN 0.441 nan 8.310 nan 0.000 0.504 106 A N 0.773 123.544 122.820 -0.083 0.000 2.024 106 A HA 0.107 4.428 4.320 0.002 0.000 0.220 106 A C 1.431 178.762 177.584 -0.422 0.000 1.164 106 A CA 1.079 52.931 52.037 -0.309 0.000 0.643 106 A CB -0.796 17.904 19.000 -0.500 0.000 0.806 106 A HN 0.616 nan 8.150 nan 0.000 0.451 107 F N -1.291 118.653 119.950 -0.009 0.000 2.641 107 F HA 0.243 4.771 4.527 0.002 0.000 0.302 107 F C 0.700 176.365 175.800 -0.225 0.000 1.098 107 F CA -0.034 57.904 58.000 -0.103 0.000 1.318 107 F CB 0.085 39.028 39.000 -0.095 0.000 1.035 107 F HN 0.274 nan 8.300 nan 0.000 0.551 108 D N 0.032 120.431 120.400 -0.002 0.000 2.981 108 D HA -0.231 4.410 4.640 0.002 0.000 0.223 108 D C -0.096 176.186 176.300 -0.030 0.000 1.151 108 D CA 0.423 54.409 54.000 -0.022 0.000 0.827 108 D CB -1.388 39.388 40.800 -0.039 0.000 1.101 108 D HN 0.243 nan 8.370 nan 0.000 0.426 109 H N -0.428 118.752 119.070 0.182 0.000 2.629 109 H HA 0.369 4.926 4.556 0.002 0.000 0.357 109 H C -1.725 173.690 175.328 0.144 0.000 1.121 109 H CA -1.024 55.138 56.048 0.190 0.000 1.406 109 H CB 0.114 30.087 29.762 0.350 0.000 1.456 109 H HN 0.151 nan 8.280 nan 0.000 0.579 110 P HA 0.012 nan 4.420 nan 0.000 0.269 110 P C 0.259 177.709 177.300 0.252 0.000 1.215 110 P CA -0.205 62.993 63.100 0.164 0.000 0.780 110 P CB 0.629 32.379 31.700 0.083 0.000 0.898 111 L N 1.369 122.724 121.223 0.220 0.000 2.485 111 L HA 0.174 4.515 4.340 0.002 0.000 0.275 111 L C 1.813 178.934 176.870 0.419 0.000 1.207 111 L CA 1.007 56.032 54.840 0.309 0.000 0.855 111 L CB -0.741 41.520 42.059 0.336 0.000 1.114 111 L HN 0.838 nan 8.230 nan 0.000 0.485 112 G N 2.382 111.389 108.800 0.344 0.000 2.199 112 G HA2 -0.333 3.628 3.960 0.002 0.000 0.254 112 G HA3 -0.333 3.628 3.960 0.002 0.000 0.254 112 G C -0.177 174.770 174.900 0.079 0.000 0.982 112 G CA -0.083 45.104 45.100 0.146 0.000 0.632 112 G HN 0.470 nan 8.290 nan 0.000 0.529 113 F N 1.685 121.637 119.950 0.003 0.000 2.420 113 F HA 0.768 5.296 4.527 0.002 0.000 0.342 113 F C 0.089 175.810 175.800 -0.131 0.000 1.113 113 F CA -1.448 56.516 58.000 -0.060 0.000 1.059 113 F CB 0.782 39.770 39.000 -0.021 0.000 1.128 113 F HN 0.042 nan 8.300 nan 0.000 0.475 114 I N 7.334 127.276 120.570 -1.046 0.000 2.465 114 I HA 0.343 4.514 4.170 0.002 0.000 0.291 114 I C -2.344 172.959 176.117 -1.356 0.000 1.014 114 I CA -2.415 58.323 61.300 -0.937 0.000 1.093 114 I CB 1.924 39.615 38.000 -0.514 0.000 1.267 114 I HN 0.436 nan 8.210 nan 0.000 0.431 115 P HA -0.009 nan 4.420 nan 0.000 0.264 115 P C -0.202 176.903 177.300 -0.324 0.000 1.183 115 P CA 0.527 63.328 63.100 -0.498 0.000 0.763 115 P CB 0.275 31.833 31.700 -0.237 0.000 0.807 116 E N -1.691 118.422 120.200 -0.146 0.000 3.628 116 E HA -0.186 4.165 4.350 0.002 0.000 0.309 116 E C 0.265 176.819 176.600 -0.076 0.000 0.839 116 E CA 0.788 57.145 56.400 -0.072 0.000 1.123 116 E CB -1.475 28.185 29.700 -0.065 0.000 1.568 116 E HN 0.457 nan 8.360 nan 0.000 0.440 117 S N -1.558 114.039 115.700 -0.172 0.000 3.081 117 S HA 0.913 5.384 4.470 0.002 0.000 0.316 117 S C -1.433 173.180 174.600 0.022 0.000 1.089 117 S CA 0.011 58.163 58.200 -0.080 0.000 0.897 117 S CB 1.954 65.056 63.200 -0.164 0.000 1.358 117 S HN 0.451 nan 8.310 nan 0.000 0.678 118 A N 0.093 122.959 122.820 0.077 0.000 2.566 118 A HA 0.712 5.033 4.320 0.002 0.000 0.292 118 A C 0.406 178.087 177.584 0.161 0.000 1.112 118 A CA -0.643 51.534 52.037 0.234 0.000 0.707 118 A CB 0.291 19.412 19.000 0.202 0.000 1.302 118 A HN 0.695 nan 8.150 nan 0.000 0.409 119 I N -0.634 120.056 120.570 0.200 0.000 2.233 119 I HA -0.021 4.150 4.170 0.002 0.000 0.243 119 I C -0.105 175.812 176.117 -0.334 0.000 1.093 119 I CA 1.254 62.505 61.300 -0.082 0.000 1.380 119 I CB -0.129 37.790 38.000 -0.135 0.000 1.067 119 I HN 0.491 nan 8.210 nan 0.000 0.413 120 F N 0.527 120.533 119.950 0.094 0.000 2.443 120 F HA 0.463 4.991 4.527 0.001 0.000 0.335 120 F C -0.079 175.759 175.800 0.063 0.000 1.104 120 F CA -0.814 57.219 58.000 0.055 0.000 1.013 120 F CB 1.519 40.553 39.000 0.057 0.000 1.136 120 F HN -0.221 nan 8.300 nan 0.000 0.470 121 I N 2.508 123.217 120.570 0.230 0.000 2.412 121 I HA 0.339 4.510 4.170 0.002 0.000 0.296 121 I C -0.475 175.727 176.117 0.141 0.000 0.987 121 I CA -0.063 61.337 61.300 0.167 0.000 1.180 121 I CB 1.079 39.172 38.000 0.156 0.000 1.340 121 I HN 0.587 nan 8.210 nan 0.000 0.455 122 E N 4.372 124.632 120.200 0.100 0.000 2.248 122 E HA 0.439 4.790 4.350 0.002 0.000 0.272 122 E C -0.486 176.150 176.600 0.059 0.000 1.008 122 E CA -0.592 55.851 56.400 0.071 0.000 0.856 122 E CB 1.279 31.010 29.700 0.052 0.000 1.120 122 E HN 0.712 nan 8.360 nan 0.000 0.397 123 T N -1.626 112.959 114.554 0.053 0.000 2.889 123 T HA 0.251 4.602 4.350 0.002 0.000 0.278 123 T C 0.384 175.113 174.700 0.048 0.000 0.995 123 T CA -0.943 61.190 62.100 0.054 0.000 0.966 123 T CB 1.315 70.219 68.868 0.059 0.000 1.237 123 T HN 0.288 nan 8.240 nan 0.000 0.591 124 S N -0.349 115.383 115.700 0.053 0.000 2.465 124 S HA 0.339 4.810 4.470 0.002 0.000 0.280 124 S C 1.674 176.300 174.600 0.044 0.000 1.232 124 S CA -0.255 57.974 58.200 0.048 0.000 1.066 124 S CB -0.292 62.941 63.200 0.055 0.000 0.929 124 S HN 0.940 nan 8.310 nan 0.000 0.494 125 G N 3.840 112.661 108.800 0.035 0.000 2.442 125 G HA2 -0.204 3.757 3.960 0.002 0.000 0.219 125 G HA3 -0.204 3.757 3.960 0.002 0.000 0.219 125 G C 1.684 176.605 174.900 0.034 0.000 1.141 125 G CA 0.960 46.078 45.100 0.031 0.000 0.763 125 G HN 0.744 nan 8.290 nan 0.000 0.554 126 S N -0.095 115.626 115.700 0.035 0.000 2.348 126 S HA -0.001 4.470 4.470 0.002 0.000 0.221 126 S C 2.443 177.070 174.600 0.045 0.000 1.033 126 S CA 1.119 59.341 58.200 0.036 0.000 1.010 126 S CB -0.277 62.943 63.200 0.033 0.000 0.891 126 S HN 0.327 nan 8.310 nan 0.000 0.442 127 L N 1.508 122.764 121.223 0.054 0.000 2.093 127 L HA -0.075 4.266 4.340 0.002 0.000 0.208 127 L C 2.332 179.250 176.870 0.080 0.000 1.085 127 L CA 0.986 55.867 54.840 0.069 0.000 0.755 127 L CB -0.667 41.440 42.059 0.079 0.000 0.904 127 L HN 0.294 nan 8.230 nan 0.000 0.435 128 N N 0.445 119.187 118.700 0.070 0.000 2.166 128 N HA -0.145 4.596 4.740 0.002 0.000 0.186 128 N C 1.885 177.435 175.510 0.067 0.000 1.019 128 N CA 1.509 54.601 53.050 0.070 0.000 0.856 128 N CB -0.340 38.178 38.487 0.051 0.000 0.993 128 N HN 0.304 nan 8.380 nan 0.000 0.426 129 A N 0.888 123.739 122.820 0.052 0.000 1.933 129 A HA -0.074 4.247 4.320 0.002 0.000 0.218 129 A C 2.192 179.808 177.584 0.053 0.000 1.175 129 A CA 0.910 52.973 52.037 0.044 0.000 0.628 129 A CB -0.639 18.380 19.000 0.032 0.000 0.814 129 A HN 0.243 nan 8.150 nan 0.000 0.444 130 L N -0.161 121.097 121.223 0.057 0.000 2.046 130 L HA -0.042 4.299 4.340 0.002 0.000 0.208 130 L C 2.620 179.541 176.870 0.085 0.000 1.077 130 L CA 2.206 57.078 54.840 0.052 0.000 0.747 130 L CB -0.912 41.173 42.059 0.043 0.000 0.896 130 L HN 0.329 nan 8.230 nan 0.000 0.432 131 A N -0.344 122.565 122.820 0.148 0.000 1.883 131 A HA -0.261 4.060 4.320 0.002 0.000 0.217 131 A C 2.317 180.072 177.584 0.285 0.000 1.186 131 A CA 2.188 54.411 52.037 0.310 0.000 0.624 131 A CB -0.558 18.630 19.000 0.313 0.000 0.822 131 A HN 0.544 nan 8.150 nan 0.000 0.444 132 K N -0.417 120.070 120.400 0.146 0.000 2.097 132 K HA -0.122 4.199 4.320 0.002 0.000 0.205 132 K C 2.182 178.830 176.600 0.080 0.000 1.050 132 K CA 1.508 57.853 56.287 0.096 0.000 0.938 132 K CB -0.119 32.412 32.500 0.050 0.000 0.718 132 K HN 0.505 nan 8.250 nan 0.000 0.442 133 K N 1.295 121.733 120.400 0.064 0.000 2.026 133 K HA -0.103 4.218 4.320 0.002 0.000 0.208 133 K C 2.016 178.632 176.600 0.027 0.000 1.048 133 K CA 1.228 57.533 56.287 0.031 0.000 0.929 133 K CB -0.038 32.473 32.500 0.018 0.000 0.713 133 K HN 0.037 nan 8.250 nan 0.000 0.439 134 I N 0.906 121.500 120.570 0.041 0.000 2.226 134 I HA -0.269 3.902 4.170 0.002 0.000 0.245 134 I C 2.464 178.633 176.117 0.087 0.000 1.100 134 I CA 1.216 62.515 61.300 -0.002 0.000 1.374 134 I CB -0.343 37.560 38.000 -0.161 0.000 1.057 134 I HN 0.265 nan 8.210 nan 0.000 0.413 135 A N 0.828 123.791 122.820 0.239 0.000 1.902 135 A HA -0.275 4.046 4.320 0.002 0.000 0.217 135 A C 2.059 179.681 177.584 0.064 0.000 1.181 135 A CA 2.355 54.533 52.037 0.235 0.000 0.623 135 A CB -0.868 18.246 19.000 0.191 0.000 0.818 135 A HN 0.487 nan 8.150 nan 0.000 0.443 136 N N 0.021 118.729 118.700 0.014 0.000 2.084 136 N HA -0.174 4.567 4.740 0.002 0.000 0.190 136 N C 1.608 177.010 175.510 -0.181 0.000 1.030 136 N CA 2.055 55.062 53.050 -0.072 0.000 0.849 136 N CB -0.340 38.117 38.487 -0.049 0.000 1.012 136 N HN 0.626 nan 8.380 nan 0.000 0.423 137 E N -1.002 119.130 120.200 -0.114 0.000 2.204 137 E HA -0.105 4.246 4.350 0.002 0.000 0.194 137 E C 1.018 177.537 176.600 -0.136 0.000 0.989 137 E CA 0.731 57.051 56.400 -0.132 0.000 0.824 137 E CB 0.071 29.737 29.700 -0.056 0.000 0.756 137 E HN 0.433 nan 8.360 nan 0.000 0.477 138 Q N -0.422 119.342 119.800 -0.060 0.000 2.247 138 Q HA 0.049 4.390 4.340 0.002 0.000 0.204 138 Q C -0.502 175.587 176.000 0.149 0.000 0.872 138 Q CA 0.029 55.867 55.803 0.058 0.000 0.951 138 Q CB 0.447 29.228 28.738 0.071 0.000 1.099 138 Q HN 0.387 nan 8.270 nan 0.000 0.501 139 H N -0.615 118.485 119.070 0.050 0.000 2.839 139 H HA -0.172 4.385 4.556 0.002 0.000 0.298 139 H C -0.339 175.017 175.328 0.047 0.000 1.224 139 H CA 0.543 56.615 56.048 0.041 0.000 1.144 139 H CB -2.042 27.737 29.762 0.029 0.000 1.372 139 H HN 0.250 nan 8.280 nan 0.000 0.408 140 I N 0.369 121.012 120.570 0.121 0.000 2.359 140 I HA 0.354 4.525 4.170 0.002 0.000 0.294 140 I C 1.030 177.175 176.117 0.046 0.000 0.987 140 I CA -0.367 60.993 61.300 0.101 0.000 1.225 140 I CB 1.669 39.763 38.000 0.157 0.000 1.366 140 I HN 0.279 nan 8.210 nan 0.000 0.466 141 A N 7.378 130.209 122.820 0.018 0.000 3.037 141 A HA 0.310 4.631 4.320 0.002 0.000 0.272 141 A C -0.303 177.251 177.584 -0.050 0.000 1.723 141 A CA -0.269 51.764 52.037 -0.007 0.000 1.413 141 A CB -0.607 18.391 19.000 -0.004 0.000 1.112 141 A HN 0.574 nan 8.150 nan 0.000 0.606 142 L N 2.238 123.419 121.223 -0.069 0.000 2.319 142 L HA 0.327 4.669 4.340 0.002 0.000 0.280 142 L C -0.061 176.761 176.870 -0.081 0.000 1.099 142 L CA 0.222 54.985 54.840 -0.128 0.000 0.828 142 L CB 0.460 42.416 42.059 -0.171 0.000 1.150 142 L HN 0.372 nan 8.230 nan 0.000 0.442 143 K N 4.560 124.911 120.400 -0.082 0.000 2.095 143 K HA 0.459 4.780 4.320 0.002 0.000 0.252 143 K C -0.634 175.937 176.600 -0.048 0.000 0.977 143 K CA -0.528 55.727 56.287 -0.053 0.000 0.900 143 K CB 1.506 33.979 32.500 -0.045 0.000 1.060 143 K HN 0.772 nan 8.250 nan 0.000 0.449 144 E N -0.713 119.469 120.200 -0.031 0.000 2.343 144 E HA 0.764 5.115 4.350 0.002 0.000 0.270 144 E C -0.272 176.318 176.600 -0.018 0.000 0.895 144 E CA -1.215 55.172 56.400 -0.022 0.000 0.767 144 E CB 2.100 31.792 29.700 -0.015 0.000 1.248 144 E HN 0.639 nan 8.360 nan 0.000 0.440 145 G N 0.132 108.925 108.800 -0.011 0.000 2.344 145 G HA2 0.219 4.180 3.960 0.002 0.000 0.282 145 G HA3 0.219 4.180 3.960 0.002 0.000 0.282 145 G C -1.382 173.519 174.900 0.002 0.000 1.281 145 G CA -0.467 44.626 45.100 -0.012 0.000 0.877 145 G HN 0.440 nan 8.290 nan 0.000 0.494 146 V N 0.991 120.912 119.914 0.010 0.000 2.546 146 V HA 0.517 4.638 4.120 0.002 0.000 0.284 146 V C 0.373 176.501 176.094 0.057 0.000 1.050 146 V CA -0.130 62.199 62.300 0.048 0.000 0.981 146 V CB 1.118 32.988 31.823 0.078 0.000 0.990 146 V HN 0.520 nan 8.190 nan 0.000 0.474 147 I N 3.663 124.271 120.570 0.063 0.000 2.433 147 I HA 0.632 4.803 4.170 0.002 0.000 0.292 147 I C 0.262 176.404 176.117 0.043 0.000 1.001 147 I CA -0.562 60.764 61.300 0.043 0.000 1.119 147 I CB 1.860 39.873 38.000 0.022 0.000 1.289 147 I HN 0.679 nan 8.210 nan 0.000 0.438 148 A N 4.865 127.711 122.820 0.045 0.000 2.292 148 A HA 0.744 5.065 4.320 0.002 0.000 0.319 148 A C -0.409 177.263 177.584 0.146 0.000 1.206 148 A CA -0.314 51.761 52.037 0.062 0.000 0.835 148 A CB 0.729 19.773 19.000 0.074 0.000 1.164 148 A HN 0.648 nan 8.150 nan 0.000 0.505 149 S N 0.498 116.246 115.700 0.080 0.000 2.503 149 S HA 0.892 5.363 4.470 0.002 0.000 0.301 149 S C 0.209 174.689 174.600 -0.200 0.000 1.087 149 S CA -0.070 58.136 58.200 0.010 0.000 1.042 149 S CB 1.886 65.042 63.200 -0.074 0.000 1.043 149 S HN 1.456 nan 8.310 nan 0.000 0.489 150 G N 0.330 109.011 108.800 -0.199 0.000 2.600 150 G HA2 0.494 4.455 3.960 0.002 0.000 0.293 150 G HA3 0.494 4.455 3.960 0.002 0.000 0.293 150 G C -1.509 173.323 174.900 -0.113 0.000 1.408 150 G CA -0.585 44.268 45.100 -0.413 0.000 0.782 150 G HN 0.489 nan 8.290 nan 0.000 0.482 151 D N 0.049 120.393 120.400 -0.094 0.000 2.491 151 D HA 0.277 4.918 4.640 0.002 0.000 0.228 151 D C 0.011 176.339 176.300 0.047 0.000 1.183 151 D CA 0.348 54.341 54.000 -0.012 0.000 0.827 151 D CB 0.860 41.639 40.800 -0.033 0.000 0.989 151 D HN 0.232 nan 8.370 nan 0.000 0.494 152 Q N -0.253 119.604 119.800 0.094 0.000 2.375 152 Q HA 0.389 4.731 4.340 0.002 0.000 0.271 152 Q C -0.849 175.267 176.000 0.193 0.000 1.074 152 Q CA -0.711 55.182 55.803 0.150 0.000 0.808 152 Q CB 2.054 30.887 28.738 0.159 0.000 1.327 152 Q HN 0.045 nan 8.270 nan 0.000 0.441 153 F N 2.298 122.286 119.950 0.064 0.000 2.444 153 F HA 0.379 4.906 4.527 0.001 0.000 0.360 153 F C -0.571 175.324 175.800 0.157 0.000 1.106 153 F CA -0.607 57.419 58.000 0.044 0.000 1.170 153 F CB 0.540 39.489 39.000 -0.084 0.000 1.113 153 F HN 0.301 nan 8.300 nan 0.000 0.521 154 V N 7.050 126.802 119.914 -0.270 0.000 2.455 154 V HA 0.110 4.231 4.120 0.002 0.000 0.273 154 V C -0.227 175.841 176.094 -0.043 0.000 1.045 154 V CA -0.158 62.089 62.300 -0.090 0.000 0.976 154 V CB 0.506 32.239 31.823 -0.150 0.000 0.993 154 V HN 0.863 nan 8.190 nan 0.000 0.475 155 H N 1.186 120.249 119.070 -0.012 0.000 2.825 155 H HA 0.637 5.194 4.556 0.002 0.000 0.226 155 H C -0.340 175.018 175.328 0.049 0.000 1.414 155 H CA -0.191 55.896 56.048 0.065 0.000 1.198 155 H CB 0.594 30.486 29.762 0.217 0.000 2.013 155 H HN 0.527 nan 8.280 nan 0.000 0.530 156 S N 0.610 116.246 115.700 -0.106 0.000 2.603 156 S HA 0.159 4.630 4.470 0.002 0.000 0.274 156 S C 0.654 175.220 174.600 -0.055 0.000 1.168 156 S CA -0.829 57.293 58.200 -0.129 0.000 0.963 156 S CB 1.906 64.981 63.200 -0.207 0.000 1.078 156 S HN 0.554 nan 8.310 nan 0.000 0.477 157 K N 2.600 122.982 120.400 -0.031 0.000 2.063 157 K HA -0.117 4.204 4.320 0.002 0.000 0.208 157 K C 1.243 177.839 176.600 -0.007 0.000 1.048 157 K CA 1.819 58.099 56.287 -0.012 0.000 0.928 157 K CB -0.131 32.367 32.500 -0.004 0.000 0.713 157 K HN 0.671 nan 8.250 nan 0.000 0.442 158 E N 0.616 120.807 120.200 -0.015 0.000 2.051 158 E HA -0.206 4.145 4.350 0.002 0.000 0.192 158 E C 2.120 178.736 176.600 0.027 0.000 0.991 158 E CA 1.075 57.475 56.400 -0.000 0.000 0.799 158 E CB -0.221 29.467 29.700 -0.020 0.000 0.748 158 E HN 0.210 nan 8.360 nan 0.000 0.449 159 R N 1.611 122.111 120.500 -0.000 0.000 2.096 159 R HA -0.063 4.278 4.340 0.002 0.000 0.235 159 R C 2.052 178.401 176.300 0.081 0.000 1.127 159 R CA 1.459 57.581 56.100 0.037 0.000 0.968 159 R CB -0.133 30.151 30.300 -0.027 0.000 0.861 159 R HN 0.044 nan 8.270 nan 0.000 0.440 160 K N 0.141 120.553 120.400 0.020 0.000 2.032 160 K HA -0.180 4.141 4.320 0.002 0.000 0.209 160 K C 2.034 178.651 176.600 0.028 0.000 1.048 160 K CA 2.057 58.349 56.287 0.008 0.000 0.927 160 K CB -0.140 32.355 32.500 -0.008 0.000 0.712 160 K HN 0.350 nan 8.250 nan 0.000 0.441 161 E N 0.084 120.310 120.200 0.042 0.000 2.110 161 E HA -0.193 4.158 4.350 0.002 0.000 0.193 161 E C 1.845 178.476 176.600 0.052 0.000 0.988 161 E CA 1.022 57.443 56.400 0.035 0.000 0.804 161 E CB -0.183 29.538 29.700 0.034 0.000 0.745 161 E HN 0.259 nan 8.360 nan 0.000 0.458 162 F N 1.595 121.522 119.950 -0.039 0.000 2.095 162 F HA -0.194 4.334 4.527 0.001 0.000 0.298 162 F C 1.834 177.615 175.800 -0.031 0.000 1.104 162 F CA 1.342 59.316 58.000 -0.044 0.000 1.232 162 F CB -0.142 38.839 39.000 -0.032 0.000 0.987 162 F HN -0.095 nan 8.300 nan 0.000 0.475 163 L N -0.538 120.639 121.223 -0.076 0.000 2.046 163 L HA -0.203 4.138 4.340 0.002 0.000 0.208 163 L C 2.384 179.194 176.870 -0.100 0.000 1.077 163 L CA 1.054 55.830 54.840 -0.108 0.000 0.747 163 L CB -0.920 41.136 42.059 -0.005 0.000 0.896 163 L HN 0.051 nan 8.230 nan 0.000 0.432 164 V N -0.238 119.631 119.914 -0.075 0.000 2.307 164 V HA -0.246 3.875 4.120 0.002 0.000 0.245 164 V C 2.709 178.744 176.094 -0.098 0.000 1.045 164 V CA 2.015 64.284 62.300 -0.052 0.000 1.024 164 V CB -0.517 31.287 31.823 -0.032 0.000 0.651 164 V HN 0.628 nan 8.190 nan 0.000 0.449 165 S N 0.212 115.819 115.700 -0.154 0.000 2.371 165 S HA -0.198 4.273 4.470 0.002 0.000 0.224 165 S C 1.917 176.351 174.600 -0.277 0.000 1.029 165 S CA 1.520 59.620 58.200 -0.166 0.000 0.978 165 S CB -0.286 62.840 63.200 -0.122 0.000 0.833 165 S HN 0.568 nan 8.310 nan 0.000 0.466 166 E N 0.528 120.401 120.200 -0.546 0.000 2.112 166 E HA 0.108 4.459 4.350 0.002 0.000 0.190 166 E C 0.707 176.853 176.600 -0.756 0.000 0.979 166 E CA 1.035 56.923 56.400 -0.854 0.000 0.814 166 E CB -0.150 28.559 29.700 -1.652 0.000 0.762 166 E HN 0.640 nan 8.360 nan 0.000 0.460 167 F N -0.165 119.699 119.950 -0.144 0.000 2.798 167 F HA 0.391 4.919 4.527 0.002 0.000 0.328 167 F C 0.019 175.888 175.800 0.115 0.000 1.098 167 F CA -0.274 57.770 58.000 0.074 0.000 1.172 167 F CB 0.499 39.522 39.000 0.039 0.000 1.072 167 F HN -0.189 nan 8.300 nan 0.000 0.555 168 K N 0.132 120.610 120.400 0.130 0.000 3.069 168 K HA -0.185 4.136 4.320 0.002 0.000 0.267 168 K C 0.335 176.985 176.600 0.083 0.000 1.082 168 K CA 0.378 56.704 56.287 0.066 0.000 0.782 168 K CB -1.852 30.667 32.500 0.030 0.000 1.230 168 K HN 0.248 nan 8.250 nan 0.000 0.488 169 A N 0.421 123.310 122.820 0.115 0.000 2.407 169 A HA 0.364 4.685 4.320 0.002 0.000 0.248 169 A C 1.122 178.728 177.584 0.036 0.000 1.082 169 A CA 0.098 52.190 52.037 0.091 0.000 0.785 169 A CB 0.730 19.789 19.000 0.098 0.000 1.020 169 A HN 0.235 nan 8.150 nan 0.000 0.489 170 S N -0.159 115.556 115.700 0.025 0.000 2.506 170 S HA 0.502 4.973 4.470 0.002 0.000 0.219 170 S C 0.570 175.170 174.600 0.001 0.000 1.031 170 S CA 0.585 58.789 58.200 0.006 0.000 0.911 170 S CB 0.203 63.403 63.200 0.000 0.000 0.812 170 S HN 1.313 nan 8.310 nan 0.000 0.497 171 A N 0.448 123.272 122.820 0.006 0.000 2.609 171 A HA 0.794 5.115 4.320 0.002 0.000 0.291 171 A C -1.658 175.926 177.584 0.000 0.000 1.096 171 A CA -0.544 51.493 52.037 0.000 0.000 0.684 171 A CB 1.476 20.481 19.000 0.007 0.000 1.282 171 A HN 0.190 nan 8.150 nan 0.000 0.412 172 V N 0.839 120.745 119.914 -0.014 0.000 2.709 172 V HA 0.827 4.948 4.120 0.002 0.000 0.308 172 V C -0.920 175.173 176.094 -0.000 0.000 1.062 172 V CA -0.047 62.244 62.300 -0.015 0.000 0.901 172 V CB 1.781 33.554 31.823 -0.083 0.000 1.003 172 V HN 1.328 nan 8.190 nan 0.000 0.425 173 E N 5.351 125.576 120.200 0.041 0.000 2.368 173 E HA 0.541 4.892 4.350 0.002 0.000 0.257 173 E C -0.611 176.029 176.600 0.067 0.000 1.022 173 E CA -0.726 55.707 56.400 0.056 0.000 0.886 173 E CB 1.397 31.139 29.700 0.070 0.000 1.740 173 E HN 0.418 nan 8.360 nan 0.000 0.456 174 M N -0.456 119.183 119.600 0.065 0.000 2.340 174 M HA 0.347 4.828 4.480 0.002 0.000 0.345 174 M C -0.297 176.013 176.300 0.016 0.000 1.008 174 M CA 0.240 55.572 55.300 0.054 0.000 0.987 174 M CB 0.656 33.317 32.600 0.102 0.000 1.598 174 M HN 0.499 nan 8.290 nan 0.000 0.569 175 E N -0.547 119.623 120.200 -0.050 0.000 2.633 175 E HA 0.199 4.550 4.350 0.002 0.000 0.214 175 E C 1.738 178.175 176.600 -0.271 0.000 0.898 175 E CA 0.403 56.728 56.400 -0.126 0.000 1.422 175 E CB 0.050 29.694 29.700 -0.093 0.000 1.398 175 E HN 0.331 nan 8.360 nan 0.000 0.752 176 G N 1.353 109.970 108.800 -0.305 0.000 2.446 176 G HA2 -0.263 3.698 3.960 0.002 0.000 0.217 176 G HA3 -0.263 3.698 3.960 0.002 0.000 0.217 176 G C 1.634 176.442 174.900 -0.152 0.000 1.168 176 G CA 1.119 46.028 45.100 -0.319 0.000 0.771 176 G HN 0.345 nan 8.290 nan 0.000 0.551 177 A N 1.074 123.836 122.820 -0.096 0.000 1.933 177 A HA -0.001 4.320 4.320 0.002 0.000 0.218 177 A C 2.724 180.308 177.584 0.001 0.000 1.175 177 A CA 2.496 54.506 52.037 -0.044 0.000 0.628 177 A CB -0.570 18.378 19.000 -0.086 0.000 0.814 177 A HN 0.624 nan 8.150 nan 0.000 0.444 178 S N -0.418 115.263 115.700 -0.031 0.000 2.387 178 S HA -0.075 4.396 4.470 0.002 0.000 0.226 178 S C 1.730 176.398 174.600 0.112 0.000 1.026 178 S CA 1.145 59.361 58.200 0.027 0.000 0.972 178 S CB -0.826 62.365 63.200 -0.014 0.000 0.814 178 S HN 0.229 nan 8.310 nan 0.000 0.477 179 V N 2.736 122.677 119.914 0.044 0.000 2.295 179 V HA -0.133 3.988 4.120 0.002 0.000 0.246 179 V C 3.091 179.255 176.094 0.117 0.000 1.049 179 V CA 1.784 64.136 62.300 0.087 0.000 1.024 179 V CB -1.444 30.392 31.823 0.021 0.000 0.648 179 V HN 0.641 nan 8.190 nan 0.000 0.447 180 A N -0.741 122.129 122.820 0.084 0.000 1.969 180 A HA -0.210 4.111 4.320 0.002 0.000 0.218 180 A C 2.098 179.754 177.584 0.121 0.000 1.169 180 A CA 1.829 53.923 52.037 0.094 0.000 0.635 180 A CB -0.675 18.368 19.000 0.071 0.000 0.810 180 A HN 0.533 nan 8.150 nan 0.000 0.445 181 F N 0.670 120.627 119.950 0.012 0.000 2.102 181 F HA -0.165 4.363 4.527 0.002 0.000 0.298 181 F C 2.242 178.059 175.800 0.028 0.000 1.105 181 F CA 2.067 60.069 58.000 0.003 0.000 1.239 181 F CB -0.334 38.652 39.000 -0.023 0.000 0.991 181 F HN 0.029 nan 8.300 nan 0.000 0.474 182 V N -0.413 119.627 119.914 0.211 0.000 2.287 182 V HA -0.380 3.741 4.120 0.002 0.000 0.248 182 V C 2.652 178.841 176.094 0.159 0.000 1.053 182 V CA 1.954 64.365 62.300 0.185 0.000 1.027 182 V CB -1.097 30.907 31.823 0.300 0.000 0.646 182 V HN 0.602 nan 8.190 nan 0.000 0.447 183 C N -0.779 118.605 119.300 0.140 0.000 2.413 183 C HA -0.217 4.244 4.460 0.002 0.000 0.276 183 C C 2.828 177.852 174.990 0.056 0.000 1.248 183 C CA 1.544 60.642 59.018 0.134 0.000 1.742 183 C CB -1.027 26.779 27.740 0.110 0.000 2.017 183 C HN 0.661 nan 8.230 nan 0.000 0.481 184 Q N 0.664 120.436 119.800 -0.047 0.000 2.084 184 Q HA -0.186 4.155 4.340 0.002 0.000 0.202 184 Q C 2.048 177.929 176.000 -0.198 0.000 0.978 184 Q CA 1.336 57.072 55.803 -0.113 0.000 0.844 184 Q CB -0.003 28.646 28.738 -0.148 0.000 0.898 184 Q HN 0.505 nan 8.270 nan 0.000 0.426 185 K N -0.264 119.920 120.400 -0.360 0.000 2.211 185 K HA -0.110 4.211 4.320 0.002 0.000 0.203 185 K C 1.259 177.581 176.600 -0.463 0.000 1.050 185 K CA 0.936 56.928 56.287 -0.492 0.000 0.945 185 K CB -0.022 32.052 32.500 -0.711 0.000 0.732 185 K HN 0.262 nan 8.250 nan 0.000 0.451 186 F N -0.053 119.842 119.950 -0.091 0.000 2.695 186 F HA 0.233 4.761 4.527 0.002 0.000 0.303 186 F C 1.195 176.976 175.800 -0.032 0.000 1.091 186 F CA 0.145 58.118 58.000 -0.046 0.000 1.300 186 F CB 0.232 39.219 39.000 -0.020 0.000 1.071 186 F HN 0.144 nan 8.300 nan 0.000 0.578 187 G N 1.183 110.032 108.800 0.082 0.000 2.221 187 G HA2 -0.240 3.721 3.960 0.002 0.000 0.265 187 G HA3 -0.240 3.721 3.960 0.002 0.000 0.265 187 G C -0.246 174.698 174.900 0.072 0.000 1.041 187 G CA 0.171 45.304 45.100 0.054 0.000 0.807 187 G HN 0.156 nan 8.290 nan 0.000 0.502 188 V N 1.206 121.176 119.914 0.093 0.000 2.370 188 V HA 0.441 4.562 4.120 0.002 0.000 0.283 188 V C -1.584 174.553 176.094 0.072 0.000 1.023 188 V CA -1.772 60.578 62.300 0.083 0.000 0.857 188 V CB 1.783 33.665 31.823 0.098 0.000 0.985 188 V HN 0.136 nan 8.190 nan 0.000 0.443 189 P HA 0.149 nan 4.420 nan 0.000 0.268 189 P C -0.655 176.691 177.300 0.076 0.000 1.204 189 P CA 0.001 63.138 63.100 0.062 0.000 0.768 189 P CB 0.451 32.184 31.700 0.056 0.000 0.842 190 C N 4.502 123.850 119.300 0.079 0.000 2.626 190 C HA 0.692 5.153 4.460 0.002 0.000 0.310 190 C C -0.595 174.455 174.990 0.100 0.000 1.191 190 C CA -0.412 58.666 59.018 0.098 0.000 1.517 190 C CB 0.326 28.125 27.740 0.099 0.000 2.102 190 C HN 0.776 nan 8.230 nan 0.000 0.479 191 C N 5.802 125.176 119.300 0.124 0.000 2.441 191 C HA 0.815 5.276 4.460 0.002 0.000 0.318 191 C C -0.765 174.324 174.990 0.164 0.000 1.222 191 C CA -0.204 58.890 59.018 0.127 0.000 1.474 191 C CB 0.513 28.331 27.740 0.131 0.000 2.125 191 C HN 0.801 nan 8.230 nan 0.000 0.479 192 V N 7.687 127.683 119.914 0.137 0.000 2.334 192 V HA 0.447 4.568 4.120 0.002 0.000 0.281 192 V C -0.230 175.953 176.094 0.148 0.000 1.016 192 V CA -0.217 62.179 62.300 0.160 0.000 0.832 192 V CB 1.206 33.058 31.823 0.049 0.000 0.999 192 V HN 0.755 nan 8.190 nan 0.000 0.439 193 L N 6.413 127.762 121.223 0.209 0.000 2.313 193 L HA 0.719 5.060 4.340 0.002 0.000 0.283 193 L C -0.118 176.846 176.870 0.157 0.000 1.013 193 L CA -0.601 54.320 54.840 0.135 0.000 0.816 193 L CB 1.601 43.742 42.059 0.136 0.000 1.236 193 L HN 0.466 nan 8.230 nan 0.000 0.419 194 R N 1.641 122.190 120.500 0.082 0.000 2.686 194 R HA 0.500 4.841 4.340 0.002 0.000 0.283 194 R C -0.974 175.343 176.300 0.029 0.000 0.978 194 R CA -0.672 55.483 56.100 0.091 0.000 0.897 194 R CB 2.247 32.602 30.300 0.093 0.000 1.192 194 R HN 0.540 nan 8.270 nan 0.000 0.457 195 S N 3.046 118.768 115.700 0.038 0.000 2.454 195 S HA 0.442 4.913 4.470 0.002 0.000 0.306 195 S C 0.160 174.773 174.600 0.021 0.000 1.100 195 S CA -0.765 57.439 58.200 0.006 0.000 1.087 195 S CB 0.521 63.723 63.200 0.003 0.000 1.019 195 S HN 0.381 nan 8.310 nan 0.000 0.480 196 I N 4.966 125.533 120.570 -0.006 0.000 2.598 196 I HA 0.086 4.257 4.170 0.002 0.000 0.284 196 I C 1.516 177.628 176.117 -0.008 0.000 1.140 196 I CA 0.453 61.752 61.300 -0.003 0.000 1.420 196 I CB 0.585 38.563 38.000 -0.037 0.000 1.387 196 I HN 0.879 nan 8.210 nan 0.000 0.553 197 S N 3.431 119.170 115.700 0.064 0.000 2.520 197 S HA 0.216 4.687 4.470 0.002 0.000 0.219 197 S C 0.026 174.729 174.600 0.172 0.000 1.028 197 S CA -0.237 58.029 58.200 0.109 0.000 0.921 197 S CB 0.139 63.424 63.200 0.142 0.000 0.844 197 S HN 0.791 nan 8.310 nan 0.000 0.495 198 D N -0.723 119.762 120.400 0.142 0.000 2.725 198 D HA 0.287 4.928 4.640 0.002 0.000 0.292 198 D C -1.111 175.238 176.300 0.083 0.000 1.288 198 D CA -0.841 53.260 54.000 0.168 0.000 0.784 198 D CB -0.110 40.885 40.800 0.324 0.000 1.308 198 D HN -0.166 nan 8.370 nan 0.000 0.429 199 N N -0.127 118.620 118.700 0.078 0.000 2.238 199 N HA 0.359 5.100 4.740 0.002 0.000 0.222 199 N C 0.264 175.788 175.510 0.023 0.000 1.133 199 N CA 0.644 53.716 53.050 0.036 0.000 0.854 199 N CB 0.754 39.261 38.487 0.033 0.000 1.041 199 N HN 0.743 nan 8.380 nan 0.000 0.510 200 A N 0.991 123.818 122.820 0.012 0.000 2.832 200 A HA -0.237 4.084 4.320 0.002 0.000 0.280 200 A C 0.179 177.770 177.584 0.013 0.000 1.464 200 A CA 1.574 53.578 52.037 -0.055 0.000 0.804 200 A CB -1.967 16.973 19.000 -0.100 0.000 1.020 200 A HN 0.565 nan 8.150 nan 0.000 0.563 201 D N -2.411 118.036 120.400 0.079 0.000 2.668 201 D HA 0.544 5.185 4.640 0.002 0.000 0.249 201 D C 0.791 177.181 176.300 0.150 0.000 1.150 201 D CA -0.062 53.987 54.000 0.082 0.000 1.090 201 D CB -0.277 40.559 40.800 0.060 0.000 1.244 201 D HN -0.042 nan 8.370 nan 0.000 0.636 202 E N -0.876 119.393 120.200 0.116 0.000 2.160 202 E HA -0.082 4.269 4.350 0.002 0.000 0.195 202 E C 0.772 177.479 176.600 0.178 0.000 0.991 202 E CA 1.250 57.738 56.400 0.146 0.000 0.810 202 E CB -0.029 29.725 29.700 0.089 0.000 0.742 202 E HN 0.217 nan 8.360 nan 0.000 0.466 203 K N -0.413 120.079 120.400 0.153 0.000 2.498 203 K HA 0.344 4.665 4.320 0.002 0.000 0.207 203 K C 0.999 177.716 176.600 0.194 0.000 1.033 203 K CA 0.282 56.658 56.287 0.149 0.000 1.138 203 K CB 0.756 33.325 32.500 0.115 0.000 0.860 203 K HN 0.068 nan 8.250 nan 0.000 0.490 204 A N 0.702 123.678 122.820 0.260 0.000 1.933 204 A HA -0.077 4.244 4.320 0.002 0.000 0.218 204 A C 2.233 180.067 177.584 0.417 0.000 1.175 204 A CA 2.009 54.260 52.037 0.356 0.000 0.628 204 A CB -0.712 18.521 19.000 0.389 0.000 0.814 204 A HN 0.362 nan 8.150 nan 0.000 0.444 205 G N -0.477 108.478 108.800 0.258 0.000 2.440 205 G HA2 -0.255 3.706 3.960 0.002 0.000 0.218 205 G HA3 -0.255 3.706 3.960 0.002 0.000 0.218 205 G C 1.643 176.605 174.900 0.103 0.000 1.154 205 G CA 1.258 46.360 45.100 0.002 0.000 0.767 205 G HN 0.482 nan 8.290 nan 0.000 0.552 206 M N 0.563 120.231 119.600 0.114 0.000 2.132 206 M HA -0.035 4.446 4.480 0.002 0.000 0.263 206 M C 2.852 179.238 176.300 0.143 0.000 1.065 206 M CA 1.439 56.798 55.300 0.098 0.000 1.122 206 M CB -0.350 32.296 32.600 0.076 0.000 1.365 206 M HN 0.342 nan 8.290 nan 0.000 0.411 207 S N 0.438 116.275 115.700 0.228 0.000 2.356 207 S HA -0.175 4.296 4.470 0.002 0.000 0.223 207 S C 1.784 176.612 174.600 0.381 0.000 1.032 207 S CA 1.251 59.653 58.200 0.337 0.000 1.005 207 S CB -0.400 63.010 63.200 0.350 0.000 0.867 207 S HN 0.465 nan 8.310 nan 0.000 0.449 208 F N 2.346 122.430 119.950 0.224 0.000 2.095 208 F HA -0.153 4.375 4.527 0.001 0.000 0.298 208 F C 1.974 177.825 175.800 0.085 0.000 1.104 208 F CA 2.215 60.330 58.000 0.192 0.000 1.232 208 F CB -0.528 38.590 39.000 0.197 0.000 0.987 208 F HN 0.208 nan 8.300 nan 0.000 0.475 209 D N 0.214 120.762 120.400 0.247 0.000 2.149 209 D HA -0.234 4.407 4.640 0.002 0.000 0.198 209 D C 2.127 178.364 176.300 -0.105 0.000 0.990 209 D CA 1.658 55.696 54.000 0.063 0.000 0.839 209 D CB -0.422 40.413 40.800 0.058 0.000 0.948 209 D HN 0.597 nan 8.370 nan 0.000 0.460 210 E N -1.038 119.071 120.200 -0.151 0.000 2.112 210 E HA -0.103 4.248 4.350 0.002 0.000 0.190 210 E C 1.112 177.403 176.600 -0.514 0.000 0.979 210 E CA 0.659 56.815 56.400 -0.406 0.000 0.814 210 E CB 0.035 29.343 29.700 -0.653 0.000 0.762 210 E HN 0.191 nan 8.360 nan 0.000 0.460 211 F N -0.088 119.801 119.950 -0.101 0.000 2.678 211 F HA 0.138 4.665 4.527 0.001 0.000 0.305 211 F C 1.498 177.184 175.800 -0.191 0.000 1.090 211 F CA -0.300 57.634 58.000 -0.109 0.000 1.272 211 F CB 0.163 39.130 39.000 -0.055 0.000 1.060 211 F HN 0.079 nan 8.300 nan 0.000 0.576 212 L N 0.956 122.042 121.223 -0.229 0.000 1.990 212 L HA -0.239 4.102 4.340 0.002 0.000 0.213 212 L C 2.379 179.141 176.870 -0.180 0.000 1.072 212 L CA 2.179 56.779 54.840 -0.399 0.000 0.755 212 L CB -0.842 40.804 42.059 -0.688 0.000 0.889 212 L HN 0.295 nan 8.230 nan 0.000 0.432 213 E N -0.567 119.551 120.200 -0.137 0.000 2.058 213 E HA -0.318 4.033 4.350 0.002 0.000 0.194 213 E C 2.316 178.908 176.600 -0.013 0.000 0.997 213 E CA 1.727 58.080 56.400 -0.078 0.000 0.801 213 E CB -0.198 29.451 29.700 -0.086 0.000 0.746 213 E HN 0.578 nan 8.360 nan 0.000 0.450 214 K N -0.071 120.336 120.400 0.012 0.000 2.025 214 K HA -0.083 4.238 4.320 0.002 0.000 0.207 214 K C 2.305 178.959 176.600 0.090 0.000 1.049 214 K CA 1.550 57.874 56.287 0.062 0.000 0.933 214 K CB -0.044 32.520 32.500 0.105 0.000 0.714 214 K HN -0.017 nan 8.250 nan 0.000 0.438 215 S N 0.572 116.315 115.700 0.071 0.000 2.382 215 S HA -0.129 4.342 4.470 0.002 0.000 0.228 215 S C 1.986 176.606 174.600 0.034 0.000 1.027 215 S CA 1.144 59.371 58.200 0.044 0.000 0.991 215 S CB -0.257 62.960 63.200 0.028 0.000 0.823 215 S HN 0.525 nan 8.310 nan 0.000 0.469 216 A N 1.248 124.076 122.820 0.013 0.000 1.933 216 A HA -0.199 4.122 4.320 0.002 0.000 0.218 216 A C 1.978 179.569 177.584 0.012 0.000 1.175 216 A CA 1.610 53.645 52.037 -0.003 0.000 0.628 216 A CB -0.923 18.053 19.000 -0.039 0.000 0.814 216 A HN 0.652 nan 8.150 nan 0.000 0.444 217 H N -0.182 118.865 119.070 -0.039 0.000 2.357 217 H HA -0.093 4.464 4.556 0.002 0.000 0.301 217 H C 2.049 177.370 175.328 -0.012 0.000 1.082 217 H CA 1.979 58.006 56.048 -0.035 0.000 1.342 217 H CB -0.112 29.632 29.762 -0.031 0.000 1.389 217 H HN 0.437 nan 8.280 nan 0.000 0.511 218 T N -0.050 114.565 114.554 0.101 0.000 2.684 218 T HA -0.142 4.209 4.350 0.002 0.000 0.267 218 T C 2.360 177.072 174.700 0.021 0.000 1.036 218 T CA 1.605 63.745 62.100 0.066 0.000 1.148 218 T CB -0.286 68.619 68.868 0.063 0.000 0.863 218 T HN 0.270 nan 8.240 nan 0.000 0.436 219 S N 0.966 116.670 115.700 0.007 0.000 2.356 219 S HA -0.032 4.439 4.470 0.002 0.000 0.223 219 S C 2.557 177.159 174.600 0.004 0.000 1.032 219 S CA 1.005 59.216 58.200 0.019 0.000 1.005 219 S CB -0.549 62.662 63.200 0.017 0.000 0.867 219 S HN 0.589 nan 8.310 nan 0.000 0.449 220 A N 1.327 124.092 122.820 -0.092 0.000 1.902 220 A HA -0.125 4.196 4.320 0.002 0.000 0.217 220 A C 2.037 179.499 177.584 -0.205 0.000 1.181 220 A CA 1.655 53.595 52.037 -0.162 0.000 0.623 220 A CB -0.478 18.384 19.000 -0.230 0.000 0.818 220 A HN 0.429 nan 8.150 nan 0.000 0.443 221 K N -1.805 118.438 120.400 -0.262 0.000 2.057 221 K HA -0.130 4.192 4.320 0.002 0.000 0.207 221 K C 1.756 178.299 176.600 -0.095 0.000 1.049 221 K CA 1.583 57.730 56.287 -0.234 0.000 0.931 221 K CB -0.279 32.089 32.500 -0.220 0.000 0.714 221 K HN 0.469 nan 8.250 nan 0.000 0.440 222 F N 1.245 121.123 119.950 -0.120 0.000 2.146 222 F HA -0.150 4.379 4.527 0.002 0.000 0.298 222 F C 1.947 177.712 175.800 -0.058 0.000 1.096 222 F CA 1.000 58.960 58.000 -0.066 0.000 1.275 222 F CB -0.083 38.897 39.000 -0.034 0.000 1.008 222 F HN -0.027 nan 8.300 nan 0.000 0.480 223 L N 0.358 121.647 121.223 0.111 0.000 2.046 223 L HA -0.235 4.106 4.340 0.002 0.000 0.208 223 L C 2.633 179.470 176.870 -0.056 0.000 1.077 223 L CA 1.560 56.433 54.840 0.054 0.000 0.747 223 L CB -0.592 41.498 42.059 0.051 0.000 0.896 223 L HN -0.010 nan 8.230 nan 0.000 0.432 224 K N 0.035 120.330 120.400 -0.176 0.000 2.063 224 K HA -0.196 4.125 4.320 0.002 0.000 0.208 224 K C 2.296 178.776 176.600 -0.200 0.000 1.048 224 K CA 1.869 57.968 56.287 -0.314 0.000 0.928 224 K CB -0.338 31.849 32.500 -0.522 0.000 0.713 224 K HN 0.606 nan 8.250 nan 0.000 0.442 225 S N 0.275 115.833 115.700 -0.238 0.000 2.399 225 S HA -0.147 4.324 4.470 0.002 0.000 0.231 225 S C 2.197 176.667 174.600 -0.218 0.000 1.022 225 S CA 1.212 59.264 58.200 -0.248 0.000 0.983 225 S CB -0.281 62.695 63.200 -0.372 0.000 0.803 225 S HN 0.272 nan 8.310 nan 0.000 0.480 226 M N 0.928 120.389 119.600 -0.231 0.000 2.132 226 M HA -0.025 4.456 4.480 0.002 0.000 0.263 226 M C 2.289 178.588 176.300 -0.003 0.000 1.065 226 M CA 1.320 56.552 55.300 -0.113 0.000 1.122 226 M CB -0.627 31.946 32.600 -0.045 0.000 1.365 226 M HN 0.237 nan 8.290 nan 0.000 0.411 227 V N 0.415 120.364 119.914 0.058 0.000 2.490 227 V HA -0.260 3.861 4.120 0.002 0.000 0.250 227 V C 1.615 177.815 176.094 0.177 0.000 1.061 227 V CA 1.719 64.113 62.300 0.156 0.000 1.064 227 V CB -0.763 31.244 31.823 0.308 0.000 0.670 227 V HN 0.398 nan 8.190 nan 0.000 0.461 228 D N -0.108 120.375 120.400 0.138 0.000 2.218 228 D HA -0.114 4.527 4.640 0.002 0.000 0.204 228 D C 2.048 178.363 176.300 0.025 0.000 0.976 228 D CA 0.865 54.934 54.000 0.116 0.000 0.853 228 D CB -0.031 40.802 40.800 0.056 0.000 0.939 228 D HN 0.449 nan 8.370 nan 0.000 0.481 229 E N -0.254 119.950 120.200 0.007 0.000 2.474 229 E HA 0.121 4.472 4.350 0.002 0.000 0.195 229 E C 0.998 177.602 176.600 0.008 0.000 1.039 229 E CA -0.093 56.301 56.400 -0.010 0.000 0.881 229 E CB 0.730 30.413 29.700 -0.029 0.000 0.970 229 E HN 0.328 nan 8.360 nan 0.000 0.486 230 L N 0.000 121.243 121.223 0.033 0.000 2.949 230 L HA 0.000 4.341 4.340 0.002 0.000 0.249 230 L CA 0.000 54.863 54.840 0.039 0.000 0.813 230 L CB 0.000 42.095 42.059 0.059 0.000 0.961 230 L HN 0.000 nan 8.230 nan 0.000 0.502