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 3gbr_1_B DATA FIRST_RESID 2 DATA SEQUENCE NINEILKKLI NKSDLEINEA EELAKAIIRG EVPEILVSAI LVALRMKGES DATA SEQUENCE KNEIVGFARA MRELAIKIDV PNAIDTAGTG GGGLGTVNVS TASAILLSLV DATA SEQUENCE NPVAKHGNRA VSGKSGSADV LEALGYNIIV PPERAKELVN KTNFVFLSAQ DATA SEQUENCE YYHPAMKNVA NVRKTLGIRT IFNILGPLTN PANAKYQLMG VFSKDHLDLL DATA SEQUENCE SKSAYELDFN KIILVYGEPG IDEVSPIGNT FMKIVSKRGI EEVKLNVTDF DATA SEQUENCE GISPIPIEKL IVNSAEDSAI KIVRAFLGKD EHVAEFIKIN TAVALFALDR DATA SEQUENCE VGDFREGYEY ADHLIEKSLD KLNEIISMNG DVTKLKTIVV KSS 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 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.517 175.510 0.012 0.000 1.280 2 N CA 0.000 53.054 53.050 0.007 0.000 0.885 2 N CB 0.000 38.491 38.487 0.007 0.000 1.341 3 I N 1.709 122.287 120.570 0.014 0.000 2.335 3 I HA -0.204 3.966 4.170 -0.001 0.000 0.251 3 I C 1.626 177.756 176.117 0.022 0.000 1.129 3 I CA 1.048 62.360 61.300 0.020 0.000 1.402 3 I CB -0.924 37.089 38.000 0.022 0.000 1.069 3 I HN 0.614 nan 8.210 nan 0.000 0.424 4 N N 0.846 119.556 118.700 0.017 0.000 2.171 4 N HA -0.147 4.593 4.740 -0.001 0.000 0.184 4 N C 1.753 177.273 175.510 0.016 0.000 1.021 4 N CA 1.095 54.155 53.050 0.016 0.000 0.854 4 N CB -0.091 38.404 38.487 0.013 0.000 0.994 4 N HN 0.516 nan 8.380 nan 0.000 0.426 5 E N 0.790 120.999 120.200 0.014 0.000 2.107 5 E HA 0.002 4.351 4.350 -0.001 0.000 0.191 5 E C 1.989 178.599 176.600 0.017 0.000 0.982 5 E CA 0.214 56.623 56.400 0.014 0.000 0.809 5 E CB 0.117 29.824 29.700 0.012 0.000 0.756 5 E HN 0.174 nan 8.360 nan 0.000 0.459 6 I N 1.124 121.706 120.570 0.020 0.000 2.151 6 I HA -0.269 3.901 4.170 -0.001 0.000 0.243 6 I C 2.440 178.574 176.117 0.029 0.000 1.080 6 I CA 1.117 62.433 61.300 0.027 0.000 1.339 6 I CB -0.731 37.289 38.000 0.033 0.000 1.039 6 I HN 0.228 nan 8.210 nan 0.000 0.409 7 L N 1.013 122.252 121.223 0.028 0.000 2.017 7 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 7 L C 2.464 179.346 176.870 0.020 0.000 1.073 7 L CA 1.919 56.775 54.840 0.026 0.000 0.745 7 L CB -0.809 41.265 42.059 0.026 0.000 0.894 7 L HN 0.120 nan 8.230 nan 0.000 0.432 8 K N -0.600 119.811 120.400 0.017 0.000 2.063 8 K HA -0.251 4.069 4.320 -0.001 0.000 0.208 8 K C 2.202 178.810 176.600 0.013 0.000 1.048 8 K CA 1.842 58.137 56.287 0.014 0.000 0.928 8 K CB -0.205 32.303 32.500 0.012 0.000 0.713 8 K HN 0.260 nan 8.250 nan 0.000 0.442 9 K N 1.100 121.509 120.400 0.015 0.000 2.026 9 K HA -0.123 4.197 4.320 -0.001 0.000 0.208 9 K C 2.020 178.629 176.600 0.015 0.000 1.048 9 K CA 1.134 57.431 56.287 0.015 0.000 0.929 9 K CB -0.025 32.485 32.500 0.018 0.000 0.713 9 K HN 0.057 nan 8.250 nan 0.000 0.439 10 L N 0.832 122.066 121.223 0.018 0.000 2.056 10 L HA -0.183 4.156 4.340 -0.001 0.000 0.207 10 L C 2.382 179.258 176.870 0.010 0.000 1.078 10 L CA 0.633 55.482 54.840 0.015 0.000 0.749 10 L CB -0.359 41.711 42.059 0.019 0.000 0.901 10 L HN 0.273 nan 8.230 nan 0.000 0.433 11 I N 0.219 120.796 120.570 0.011 0.000 2.264 11 I HA -0.276 3.894 4.170 -0.001 0.000 0.248 11 I C 1.817 177.938 176.117 0.007 0.000 1.111 11 I CA 1.417 62.722 61.300 0.009 0.000 1.382 11 I CB -1.027 36.979 38.000 0.010 0.000 1.060 11 I HN 0.376 nan 8.210 nan 0.000 0.418 12 N N 1.454 120.158 118.700 0.007 0.000 2.521 12 N HA -0.082 4.657 4.740 -0.001 0.000 0.188 12 N C 0.261 175.774 175.510 0.005 0.000 1.146 12 N CA 0.219 53.273 53.050 0.006 0.000 0.893 12 N CB 0.002 38.493 38.487 0.007 0.000 0.975 12 N HN 0.341 nan 8.380 nan 0.000 0.451 13 K N -0.719 119.684 120.400 0.005 0.000 3.192 13 K HA -0.112 4.207 4.320 -0.001 0.000 0.278 13 K C -0.824 175.778 176.600 0.004 0.000 1.164 13 K CA 0.266 56.555 56.287 0.003 0.000 0.816 13 K CB -1.904 30.596 32.500 0.000 0.000 1.256 13 K HN -0.000 nan 8.250 nan 0.000 0.497 14 S N 1.658 117.362 115.700 0.007 0.000 2.475 14 S HA 0.168 4.637 4.470 -0.001 0.000 0.281 14 S C 0.030 174.637 174.600 0.012 0.000 1.198 14 S CA -0.867 57.338 58.200 0.009 0.000 1.063 14 S CB 0.950 64.156 63.200 0.011 0.000 0.972 14 S HN 0.077 nan 8.310 nan 0.000 0.486 15 D N 2.269 122.676 120.400 0.012 0.000 2.399 15 D HA 0.164 4.804 4.640 -0.001 0.000 0.241 15 D C 0.267 176.581 176.300 0.024 0.000 1.133 15 D CA 0.118 54.128 54.000 0.016 0.000 0.890 15 D CB 0.510 41.320 40.800 0.015 0.000 1.201 15 D HN 0.350 nan 8.370 nan 0.000 0.432 16 L N 1.942 123.185 121.223 0.033 0.000 2.395 16 L HA 0.154 4.493 4.340 -0.001 0.000 0.269 16 L C 1.211 178.106 176.870 0.041 0.000 1.133 16 L CA -0.697 54.168 54.840 0.042 0.000 0.812 16 L CB 0.613 42.712 42.059 0.066 0.000 1.125 16 L HN 0.171 nan 8.230 nan 0.000 0.452 17 E N 1.486 121.708 120.200 0.035 0.000 2.371 17 E HA 0.121 4.471 4.350 -0.001 0.000 0.257 17 E C 1.166 177.790 176.600 0.039 0.000 1.134 17 E CA -0.188 56.232 56.400 0.033 0.000 0.919 17 E CB 1.252 30.966 29.700 0.024 0.000 1.025 17 E HN 0.470 nan 8.360 nan 0.000 0.438 18 I N 0.980 121.572 120.570 0.037 0.000 2.163 18 I HA -0.342 3.827 4.170 -0.001 0.000 0.243 18 I C 1.852 177.982 176.117 0.023 0.000 1.085 18 I CA 1.374 62.698 61.300 0.039 0.000 1.347 18 I CB -0.308 37.712 38.000 0.034 0.000 1.044 18 I HN 0.454 nan 8.210 nan 0.000 0.408 19 N N 0.085 118.792 118.700 0.012 0.000 2.188 19 N HA -0.176 4.563 4.740 -0.001 0.000 0.184 19 N C 1.786 177.291 175.510 -0.008 0.000 1.018 19 N CA 0.747 53.795 53.050 -0.003 0.000 0.858 19 N CB -0.036 38.449 38.487 -0.002 0.000 0.989 19 N HN 0.356 nan 8.380 nan 0.000 0.426 20 E N 1.004 121.207 120.200 0.004 0.000 2.033 20 E HA -0.238 4.111 4.350 -0.001 0.000 0.199 20 E C 2.095 178.694 176.600 -0.001 0.000 1.011 20 E CA 1.309 57.713 56.400 0.006 0.000 0.815 20 E CB -0.097 29.616 29.700 0.022 0.000 0.755 20 E HN 0.373 nan 8.360 nan 0.000 0.451 21 A N 0.930 123.766 122.820 0.027 0.000 1.940 21 A HA -0.268 4.052 4.320 -0.001 0.000 0.219 21 A C 2.008 179.507 177.584 -0.142 0.000 1.176 21 A CA 1.830 53.897 52.037 0.051 0.000 0.631 21 A CB -0.507 18.597 19.000 0.174 0.000 0.814 21 A HN 0.322 nan 8.150 nan 0.000 0.446 22 E N -0.578 119.561 120.200 -0.101 0.000 2.047 22 E HA -0.191 4.158 4.350 -0.001 0.000 0.191 22 E C 1.901 178.398 176.600 -0.171 0.000 0.987 22 E CA 1.122 57.432 56.400 -0.149 0.000 0.799 22 E CB -0.051 29.610 29.700 -0.066 0.000 0.752 22 E HN 0.529 nan 8.360 nan 0.000 0.449 23 E N 0.662 120.796 120.200 -0.110 0.000 2.077 23 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 23 E C 2.184 178.715 176.600 -0.114 0.000 0.989 23 E CA 0.518 56.865 56.400 -0.088 0.000 0.800 23 E CB -0.435 29.236 29.700 -0.049 0.000 0.746 23 E HN 0.244 nan 8.360 nan 0.000 0.452 24 L N 1.272 122.418 121.223 -0.129 0.000 1.990 24 L HA -0.188 4.151 4.340 -0.001 0.000 0.213 24 L C 2.238 178.960 176.870 -0.246 0.000 1.072 24 L CA 2.464 57.228 54.840 -0.128 0.000 0.755 24 L CB -1.086 40.936 42.059 -0.061 0.000 0.889 24 L HN 0.067 nan 8.230 nan 0.000 0.432 25 A N -0.885 121.580 122.820 -0.593 0.000 1.908 25 A HA -0.255 4.065 4.320 -0.001 0.000 0.218 25 A C 2.343 179.779 177.584 -0.246 0.000 1.181 25 A CA 2.110 53.697 52.037 -0.749 0.000 0.627 25 A CB -0.551 17.676 19.000 -1.288 0.000 0.818 25 A HN 0.554 nan 8.150 nan 0.000 0.445 26 K N -0.396 119.891 120.400 -0.188 0.000 2.026 26 K HA -0.047 4.272 4.320 -0.001 0.000 0.208 26 K C 2.363 178.937 176.600 -0.044 0.000 1.048 26 K CA 1.147 57.385 56.287 -0.081 0.000 0.929 26 K CB -0.355 32.103 32.500 -0.070 0.000 0.713 26 K HN 0.435 nan 8.250 nan 0.000 0.439 27 A N 1.471 124.262 122.820 -0.047 0.000 1.883 27 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 27 A C 2.149 179.737 177.584 0.006 0.000 1.186 27 A CA 1.446 53.473 52.037 -0.017 0.000 0.624 27 A CB -0.677 18.314 19.000 -0.015 0.000 0.822 27 A HN 0.191 nan 8.150 nan 0.000 0.444 28 I N -0.477 120.105 120.570 0.020 0.000 2.127 28 I HA -0.278 3.892 4.170 -0.001 0.000 0.241 28 I C 2.332 178.490 176.117 0.069 0.000 1.075 28 I CA 1.607 62.953 61.300 0.076 0.000 1.334 28 I CB -0.329 37.772 38.000 0.168 0.000 1.040 28 I HN 0.301 nan 8.210 nan 0.000 0.405 29 I N 0.241 120.851 120.570 0.067 0.000 2.286 29 I HA -0.254 3.915 4.170 -0.001 0.000 0.248 29 I C 2.401 178.526 176.117 0.014 0.000 1.115 29 I CA 1.284 62.609 61.300 0.042 0.000 1.392 29 I CB -0.338 37.697 38.000 0.059 0.000 1.065 29 I HN 0.125 nan 8.210 nan 0.000 0.418 30 R N 0.813 121.320 120.500 0.011 0.000 2.316 30 R HA 0.024 4.363 4.340 -0.001 0.000 0.202 30 R C 1.323 177.626 176.300 0.004 0.000 1.029 30 R CA 0.700 56.802 56.100 0.004 0.000 1.018 30 R CB -0.177 30.123 30.300 -0.001 0.000 0.888 30 R HN 0.506 nan 8.270 nan 0.000 0.471 31 G N 1.137 109.943 108.800 0.009 0.000 2.160 31 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.244 31 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.244 31 G C 0.313 175.219 174.900 0.010 0.000 1.022 31 G CA 0.378 45.483 45.100 0.009 0.000 0.741 31 G HN 0.464 nan 8.290 nan 0.000 0.508 32 E N -1.166 119.041 120.200 0.011 0.000 2.474 32 E HA 0.248 4.598 4.350 -0.001 0.000 0.194 32 E C 0.708 177.317 176.600 0.014 0.000 1.041 32 E CA 0.317 56.723 56.400 0.009 0.000 0.874 32 E CB 0.735 30.437 29.700 0.005 0.000 0.914 32 E HN 0.384 nan 8.360 nan 0.000 0.498 33 V N 2.957 122.884 119.914 0.022 0.000 2.417 33 V HA 0.235 4.354 4.120 -0.001 0.000 0.291 33 V C -2.229 173.882 176.094 0.029 0.000 1.024 33 V CA -2.177 60.140 62.300 0.028 0.000 0.861 33 V CB 1.298 33.145 31.823 0.040 0.000 0.985 33 V HN -0.017 nan 8.190 nan 0.000 0.436 34 P HA 0.121 nan 4.420 nan 0.000 0.267 34 P C 0.847 178.165 177.300 0.029 0.000 1.200 34 P CA -0.021 63.093 63.100 0.023 0.000 0.772 34 P CB 0.714 32.426 31.700 0.020 0.000 0.855 35 E N 0.951 121.166 120.200 0.026 0.000 2.118 35 E HA -0.169 4.180 4.350 -0.001 0.000 0.195 35 E C 1.726 178.345 176.600 0.033 0.000 0.992 35 E CA 1.033 57.451 56.400 0.030 0.000 0.804 35 E CB -0.281 29.432 29.700 0.022 0.000 0.741 35 E HN 0.458 nan 8.360 nan 0.000 0.458 36 I N 0.825 121.411 120.570 0.027 0.000 2.226 36 I HA -0.294 3.876 4.170 -0.001 0.000 0.245 36 I C 2.282 178.418 176.117 0.031 0.000 1.100 36 I CA 1.074 62.389 61.300 0.026 0.000 1.374 36 I CB -0.071 37.941 38.000 0.020 0.000 1.057 36 I HN 0.113 nan 8.210 nan 0.000 0.413 37 L N -0.643 120.601 121.223 0.034 0.000 2.179 37 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 37 L C 2.471 179.374 176.870 0.055 0.000 1.096 37 L CA 0.527 55.391 54.840 0.039 0.000 0.779 37 L CB -0.321 41.759 42.059 0.036 0.000 0.922 37 L HN 0.038 nan 8.230 nan 0.000 0.443 38 V N -0.903 119.049 119.914 0.064 0.000 2.287 38 V HA -0.331 3.788 4.120 -0.001 0.000 0.248 38 V C 2.697 178.845 176.094 0.090 0.000 1.053 38 V CA 2.126 64.482 62.300 0.093 0.000 1.027 38 V CB -0.491 31.391 31.823 0.099 0.000 0.646 38 V HN 0.494 nan 8.190 nan 0.000 0.447 39 S N -0.150 115.590 115.700 0.066 0.000 2.359 39 S HA -0.237 4.232 4.470 -0.001 0.000 0.224 39 S C 2.150 176.778 174.600 0.046 0.000 1.035 39 S CA 1.863 60.096 58.200 0.055 0.000 1.018 39 S CB -0.423 62.801 63.200 0.040 0.000 0.876 39 S HN 0.625 nan 8.310 nan 0.000 0.448 40 A N 1.998 124.843 122.820 0.041 0.000 1.883 40 A HA -0.043 4.276 4.320 -0.001 0.000 0.217 40 A C 2.205 179.810 177.584 0.036 0.000 1.186 40 A CA 1.677 53.734 52.037 0.034 0.000 0.624 40 A CB -0.814 18.204 19.000 0.031 0.000 0.822 40 A HN 0.586 nan 8.150 nan 0.000 0.444 41 I N -0.153 120.448 120.570 0.051 0.000 2.179 41 I HA -0.220 3.949 4.170 -0.001 0.000 0.242 41 I C 2.526 178.663 176.117 0.034 0.000 1.088 41 I CA 1.325 62.659 61.300 0.056 0.000 1.357 41 I CB -1.129 36.927 38.000 0.094 0.000 1.051 41 I HN 0.317 nan 8.210 nan 0.000 0.409 42 L N -0.098 121.153 121.223 0.046 0.000 2.083 42 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 42 L C 2.620 179.484 176.870 -0.011 0.000 1.083 42 L CA 0.894 55.740 54.840 0.010 0.000 0.752 42 L CB -0.564 41.538 42.059 0.071 0.000 0.899 42 L HN 0.058 nan 8.230 nan 0.000 0.433 43 V N -0.062 119.857 119.914 0.010 0.000 2.358 43 V HA -0.232 3.887 4.120 -0.001 0.000 0.246 43 V C 2.725 178.817 176.094 -0.004 0.000 1.047 43 V CA 1.684 63.986 62.300 0.005 0.000 1.035 43 V CB -0.711 31.120 31.823 0.013 0.000 0.658 43 V HN 0.459 nan 8.190 nan 0.000 0.452 44 A N -0.252 122.568 122.820 -0.001 0.000 1.902 44 A HA -0.155 4.165 4.320 -0.001 0.000 0.217 44 A C 2.137 179.711 177.584 -0.017 0.000 1.181 44 A CA 1.570 53.606 52.037 -0.003 0.000 0.623 44 A CB -0.566 18.438 19.000 0.007 0.000 0.818 44 A HN 0.378 nan 8.150 nan 0.000 0.443 45 L N -0.109 121.091 121.223 -0.038 0.000 2.012 45 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 45 L C 2.561 179.390 176.870 -0.069 0.000 1.073 45 L CA 2.373 57.167 54.840 -0.077 0.000 0.748 45 L CB -1.122 40.840 42.059 -0.162 0.000 0.891 45 L HN 0.583 nan 8.230 nan 0.000 0.431 46 R N -1.197 119.268 120.500 -0.058 0.000 2.075 46 R HA -0.127 4.212 4.340 -0.001 0.000 0.232 46 R C 2.257 178.552 176.300 -0.009 0.000 1.126 46 R CA 1.352 57.434 56.100 -0.031 0.000 0.963 46 R CB -0.111 30.179 30.300 -0.017 0.000 0.858 46 R HN 0.276 nan 8.270 nan 0.000 0.435 47 M N 0.279 119.874 119.600 -0.008 0.000 2.200 47 M HA -0.106 4.374 4.480 -0.001 0.000 0.265 47 M C 2.368 178.664 176.300 -0.005 0.000 1.066 47 M CA 1.463 56.761 55.300 -0.003 0.000 1.127 47 M CB -0.188 32.411 32.600 -0.001 0.000 1.379 47 M HN 0.123 nan 8.290 nan 0.000 0.420 48 K N 0.692 121.087 120.400 -0.009 0.000 2.097 48 K HA -0.049 4.270 4.320 -0.001 0.000 0.206 48 K C 0.322 176.916 176.600 -0.009 0.000 1.049 48 K CA 1.265 57.547 56.287 -0.009 0.000 0.933 48 K CB -0.018 32.476 32.500 -0.010 0.000 0.717 48 K HN 0.428 nan 8.250 nan 0.000 0.442 49 G N 2.676 111.469 108.800 -0.011 0.000 3.436 49 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.685 49 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.685 49 G C -1.006 173.886 174.900 -0.013 0.000 1.039 49 G CA -0.246 44.853 45.100 -0.002 0.000 0.879 49 G HN 0.349 nan 8.290 nan 0.000 0.478 50 E N 1.465 121.649 120.200 -0.026 0.000 2.392 50 E HA 0.465 4.814 4.350 -0.001 0.000 0.264 50 E C 0.848 177.434 176.600 -0.023 0.000 1.024 50 E CA 0.141 56.505 56.400 -0.060 0.000 0.903 50 E CB 1.314 30.934 29.700 -0.133 0.000 0.963 50 E HN 1.205 nan 8.360 nan 0.000 0.432 51 S N 1.244 116.932 115.700 -0.020 0.000 2.722 51 S HA 0.214 4.683 4.470 -0.001 0.000 0.292 51 S C 0.948 175.555 174.600 0.013 0.000 1.135 51 S CA -0.791 57.411 58.200 0.004 0.000 1.003 51 S CB 2.259 65.465 63.200 0.011 0.000 1.067 51 S HN 0.619 nan 8.310 nan 0.000 0.546 52 K N 0.857 121.275 120.400 0.029 0.000 2.009 52 K HA -0.196 4.123 4.320 -0.001 0.000 0.210 52 K C 1.381 178.013 176.600 0.055 0.000 1.049 52 K CA 1.899 58.214 56.287 0.047 0.000 0.929 52 K CB -0.633 31.901 32.500 0.057 0.000 0.714 52 K HN 0.629 nan 8.250 nan 0.000 0.440 53 N N 1.306 120.037 118.700 0.052 0.000 2.149 53 N HA -0.168 4.572 4.740 -0.001 0.000 0.188 53 N C 1.570 177.127 175.510 0.078 0.000 1.019 53 N CA 1.492 54.578 53.050 0.060 0.000 0.857 53 N CB -0.199 38.318 38.487 0.050 0.000 0.997 53 N HN 0.403 nan 8.380 nan 0.000 0.426 54 E N 0.003 120.245 120.200 0.069 0.000 2.107 54 E HA -0.019 4.330 4.350 -0.001 0.000 0.191 54 E C 1.783 178.450 176.600 0.112 0.000 0.982 54 E CA 0.398 56.861 56.400 0.104 0.000 0.809 54 E CB 0.097 29.804 29.700 0.012 0.000 0.756 54 E HN 0.224 nan 8.360 nan 0.000 0.459 55 I N 0.678 121.270 120.570 0.036 0.000 2.202 55 I HA -0.205 3.964 4.170 -0.001 0.000 0.242 55 I C 2.350 178.533 176.117 0.110 0.000 1.091 55 I CA 1.024 62.344 61.300 0.033 0.000 1.368 55 I CB -0.941 37.067 38.000 0.013 0.000 1.058 55 I HN 0.029 nan 8.210 nan 0.000 0.410 56 V N 1.351 121.327 119.914 0.103 0.000 2.287 56 V HA -0.218 3.901 4.120 -0.001 0.000 0.248 56 V C 2.702 178.858 176.094 0.103 0.000 1.053 56 V CA 2.117 64.477 62.300 0.100 0.000 1.027 56 V CB -1.529 30.343 31.823 0.081 0.000 0.646 56 V HN 0.520 nan 8.190 nan 0.000 0.447 57 G N -1.021 107.849 108.800 0.118 0.000 2.421 57 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.216 57 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.216 57 G C 1.491 176.438 174.900 0.079 0.000 1.171 57 G CA 0.780 45.932 45.100 0.088 0.000 0.775 57 G HN 0.432 nan 8.290 nan 0.000 0.543 58 F N 1.773 121.714 119.950 -0.015 0.000 2.146 58 F HA 0.091 4.618 4.527 -0.001 0.000 0.298 58 F C 3.028 178.846 175.800 0.029 0.000 1.096 58 F CA 0.882 58.870 58.000 -0.020 0.000 1.275 58 F CB -0.423 38.508 39.000 -0.115 0.000 1.008 58 F HN 0.240 nan 8.300 nan 0.000 0.480 59 A N 0.286 123.233 122.820 0.212 0.000 1.865 59 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 59 A C 2.312 179.958 177.584 0.104 0.000 1.191 59 A CA 1.933 54.062 52.037 0.154 0.000 0.623 59 A CB -0.773 18.310 19.000 0.137 0.000 0.826 59 A HN 0.323 nan 8.150 nan 0.000 0.444 60 R N -0.635 119.905 120.500 0.067 0.000 2.120 60 R HA -0.077 4.262 4.340 -0.001 0.000 0.234 60 R C 2.436 178.747 176.300 0.020 0.000 1.123 60 R CA 1.118 57.235 56.100 0.027 0.000 0.975 60 R CB -0.456 29.849 30.300 0.008 0.000 0.866 60 R HN 0.545 nan 8.270 nan 0.000 0.446 61 A N 0.891 123.716 122.820 0.008 0.000 1.877 61 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 61 A C 2.148 179.758 177.584 0.043 0.000 1.186 61 A CA 1.282 53.309 52.037 -0.017 0.000 0.620 61 A CB -0.361 18.571 19.000 -0.113 0.000 0.822 61 A HN 0.185 nan 8.150 nan 0.000 0.443 62 M N -1.345 118.317 119.600 0.105 0.000 2.175 62 M HA -0.128 4.352 4.480 -0.001 0.000 0.264 62 M C 2.415 178.832 176.300 0.195 0.000 1.063 62 M CA 1.396 56.803 55.300 0.179 0.000 1.119 62 M CB -0.221 32.505 32.600 0.208 0.000 1.377 62 M HN 0.356 nan 8.290 nan 0.000 0.415 63 R N -0.178 120.403 120.500 0.135 0.000 2.073 63 R HA -0.168 4.171 4.340 -0.001 0.000 0.234 63 R C 2.118 178.435 176.300 0.028 0.000 1.134 63 R CA 1.571 57.718 56.100 0.078 0.000 0.952 63 R CB -0.342 29.975 30.300 0.028 0.000 0.850 63 R HN 0.433 nan 8.270 nan 0.000 0.433 64 E N 0.718 120.930 120.200 0.021 0.000 2.106 64 E HA -0.142 4.208 4.350 -0.001 0.000 0.192 64 E C 1.563 178.165 176.600 0.004 0.000 0.984 64 E CA 0.842 57.243 56.400 0.001 0.000 0.806 64 E CB 0.112 29.808 29.700 -0.007 0.000 0.750 64 E HN 0.290 nan 8.360 nan 0.000 0.458 65 L N 0.628 121.866 121.223 0.025 0.000 2.599 65 L HA 0.158 4.497 4.340 -0.001 0.000 0.230 65 L C 0.919 177.802 176.870 0.022 0.000 1.141 65 L CA -0.343 54.512 54.840 0.025 0.000 0.877 65 L CB -0.025 42.059 42.059 0.041 0.000 1.009 65 L HN 0.048 nan 8.230 nan 0.000 0.447 66 A N 0.486 123.310 122.820 0.005 0.000 2.322 66 A HA 0.463 4.782 4.320 -0.001 0.000 0.269 66 A C 0.015 177.551 177.584 -0.080 0.000 1.094 66 A CA -0.422 51.563 52.037 -0.086 0.000 0.807 66 A CB 0.284 19.147 19.000 -0.228 0.000 1.047 66 A HN 0.111 nan 8.150 nan 0.000 0.487 67 I N 1.472 121.982 120.570 -0.099 0.000 2.416 67 I HA 0.158 4.328 4.170 -0.001 0.000 0.288 67 I C 0.212 176.336 176.117 0.013 0.000 1.051 67 I CA 0.251 61.500 61.300 -0.085 0.000 1.375 67 I CB 0.822 38.704 38.000 -0.198 0.000 1.407 67 I HN 0.611 nan 8.210 nan 0.000 0.516 68 K N 7.262 127.670 120.400 0.014 0.000 2.203 68 K HA 0.697 5.017 4.320 -0.001 0.000 0.251 68 K C -0.601 176.039 176.600 0.067 0.000 0.944 68 K CA -0.678 55.630 56.287 0.035 0.000 0.829 68 K CB 2.497 34.987 32.500 -0.017 0.000 1.125 68 K HN 0.517 nan 8.250 nan 0.000 0.430 69 I N -2.500 118.105 120.570 0.058 0.000 3.170 69 I HA 0.557 4.727 4.170 -0.001 0.000 0.312 69 I C -1.130 174.979 176.117 -0.012 0.000 1.085 69 I CA -0.818 60.500 61.300 0.031 0.000 0.999 69 I CB 2.167 40.196 38.000 0.047 0.000 1.233 69 I HN 0.418 nan 8.210 nan 0.000 0.467 70 D N 2.161 122.554 120.400 -0.011 0.000 2.408 70 D HA 0.497 5.137 4.640 -0.001 0.000 0.261 70 D C -1.163 175.130 176.300 -0.013 0.000 1.190 70 D CA -0.270 53.719 54.000 -0.019 0.000 0.910 70 D CB 1.386 42.176 40.800 -0.016 0.000 1.097 70 D HN 0.432 nan 8.370 nan 0.000 0.522 71 V N 5.888 125.792 119.914 -0.017 0.000 2.361 71 V HA 0.285 4.405 4.120 -0.001 0.000 0.252 71 V C -1.524 174.579 176.094 0.014 0.000 0.986 71 V CA -1.032 61.269 62.300 0.001 0.000 1.033 71 V CB 0.939 32.761 31.823 -0.003 0.000 1.282 71 V HN 0.433 nan 8.190 nan 0.000 0.514 72 P HA -0.129 nan 4.420 nan 0.000 0.220 72 P C 1.051 178.400 177.300 0.083 0.000 1.148 72 P CA 1.323 64.430 63.100 0.012 0.000 0.803 72 P CB 0.179 31.872 31.700 -0.013 0.000 0.782 73 N N -0.017 118.752 118.700 0.115 0.000 2.461 73 N HA 0.035 4.774 4.740 -0.001 0.000 0.188 73 N C 0.703 176.337 175.510 0.207 0.000 1.134 73 N CA 0.040 53.212 53.050 0.204 0.000 0.878 73 N CB -0.786 37.780 38.487 0.131 0.000 0.972 73 N HN 0.003 nan 8.380 nan 0.000 0.456 74 A N 1.062 123.971 122.820 0.149 0.000 2.406 74 A HA 0.404 4.724 4.320 -0.001 0.000 0.243 74 A C 0.128 177.838 177.584 0.211 0.000 1.082 74 A CA -0.453 51.662 52.037 0.130 0.000 0.786 74 A CB 0.132 19.172 19.000 0.066 0.000 1.029 74 A HN 0.416 nan 8.150 nan 0.000 0.495 75 I N 0.061 120.731 120.570 0.166 0.000 2.562 75 I HA 0.493 4.662 4.170 -0.001 0.000 0.301 75 I C -1.072 175.136 176.117 0.151 0.000 1.003 75 I CA -0.568 60.851 61.300 0.197 0.000 1.127 75 I CB 1.740 39.834 38.000 0.158 0.000 1.304 75 I HN 0.708 nan 8.210 nan 0.000 0.446 76 D N 3.489 123.987 120.400 0.164 0.000 2.619 76 D HA 0.365 5.005 4.640 -0.001 0.000 0.241 76 D C -1.279 175.103 176.300 0.137 0.000 1.087 76 D CA -0.090 53.996 54.000 0.143 0.000 0.851 76 D CB 2.208 43.100 40.800 0.155 0.000 1.474 76 D HN 0.443 nan 8.370 nan 0.000 0.478 77 T N 1.424 116.054 114.554 0.127 0.000 2.833 77 T HA 0.765 5.114 4.350 -0.001 0.000 0.297 77 T C -1.416 173.340 174.700 0.094 0.000 1.015 77 T CA -0.269 61.892 62.100 0.103 0.000 0.963 77 T CB 0.127 69.048 68.868 0.089 0.000 0.955 77 T HN 0.490 nan 8.240 nan 0.000 0.449 78 A N 3.258 126.128 122.820 0.083 0.000 2.589 78 A HA 0.896 5.215 4.320 -0.001 0.000 0.296 78 A C -0.128 177.493 177.584 0.062 0.000 1.062 78 A CA -0.517 51.561 52.037 0.068 0.000 0.686 78 A CB 1.470 20.509 19.000 0.065 0.000 1.282 78 A HN 1.120 nan 8.150 nan 0.000 0.404 79 G N -0.944 107.889 108.800 0.053 0.000 2.600 79 G HA2 0.538 4.497 3.960 -0.001 0.000 0.303 79 G HA3 0.538 4.497 3.960 -0.001 0.000 0.303 79 G C 0.751 175.686 174.900 0.058 0.000 1.253 79 G CA 0.380 45.522 45.100 0.070 0.000 0.974 79 G HN 1.412 nan 8.290 nan 0.000 0.483 80 T N -2.332 112.271 114.554 0.083 0.000 3.055 80 T HA 0.369 4.719 4.350 -0.001 0.000 0.265 80 T C 1.532 176.232 174.700 -0.001 0.000 1.111 80 T CA 1.163 63.294 62.100 0.052 0.000 1.118 80 T CB -0.602 68.324 68.868 0.096 0.000 0.909 80 T HN 2.322 nan 8.240 nan 0.000 0.501 81 G N 0.235 109.050 108.800 0.025 0.000 2.752 81 G HA2 0.267 4.226 3.960 -0.001 0.000 0.234 81 G HA3 0.267 4.226 3.960 -0.001 0.000 0.234 81 G C 0.674 175.493 174.900 -0.135 0.000 1.367 81 G CA 0.048 45.137 45.100 -0.019 0.000 0.879 81 G HN 1.651 nan 8.290 nan 0.000 0.563 82 G N -3.024 105.656 108.800 -0.201 0.000 2.278 82 G HA2 0.158 4.118 3.960 -0.001 0.000 0.210 82 G HA3 0.158 4.118 3.960 -0.001 0.000 0.210 82 G C 2.002 176.807 174.900 -0.159 0.000 1.000 82 G CA 1.127 45.932 45.100 -0.491 0.000 0.635 82 G HN 2.344 nan 8.290 nan 0.000 0.495 83 G N 0.462 109.335 108.800 0.122 0.000 2.402 83 G HA2 0.392 4.352 3.960 -0.001 0.000 0.216 83 G HA3 0.392 4.352 3.960 -0.001 0.000 0.216 83 G C 1.933 176.904 174.900 0.119 0.000 1.162 83 G CA 2.174 47.417 45.100 0.239 0.000 0.777 83 G HN 2.105 nan 8.290 nan 0.000 0.539 84 G N -0.090 108.747 108.800 0.061 0.000 2.160 84 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.251 84 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.251 84 G C 1.101 176.020 174.900 0.033 0.000 1.008 84 G CA 0.546 45.666 45.100 0.033 0.000 0.724 84 G HN 0.469 nan 8.290 nan 0.000 0.514 85 L N 0.032 121.279 121.223 0.040 0.000 2.376 85 L HA 0.232 4.572 4.340 -0.001 0.000 0.219 85 L C 2.215 179.088 176.870 0.006 0.000 1.133 85 L CA 0.973 55.825 54.840 0.020 0.000 0.816 85 L CB -0.434 41.633 42.059 0.014 0.000 0.933 85 L HN 1.133 nan 8.230 nan 0.000 0.449 86 G N 1.448 110.257 108.800 0.014 0.000 2.256 86 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.272 86 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.272 86 G C 0.327 175.230 174.900 0.005 0.000 1.076 86 G CA 0.401 45.506 45.100 0.008 0.000 0.882 86 G HN 0.413 nan 8.290 nan 0.000 0.497 87 T N -3.072 111.494 114.554 0.021 0.000 2.847 87 T HA 0.668 5.017 4.350 -0.001 0.000 0.279 87 T C 1.009 175.752 174.700 0.071 0.000 0.984 87 T CA -0.175 61.941 62.100 0.026 0.000 0.988 87 T CB 2.284 71.168 68.868 0.026 0.000 1.040 87 T HN 1.349 nan 8.240 nan 0.000 0.528 88 V N 1.383 121.353 119.914 0.094 0.000 2.928 88 V HA 0.027 4.146 4.120 -0.001 0.000 0.307 88 V C 0.314 176.474 176.094 0.110 0.000 1.105 88 V CA -0.146 62.210 62.300 0.094 0.000 1.223 88 V CB -0.302 31.588 31.823 0.111 0.000 0.930 88 V HN 0.949 nan 8.190 nan 0.000 0.499 89 N N 4.549 123.271 118.700 0.037 0.000 2.605 89 N HA 0.104 4.844 4.740 -0.001 0.000 0.282 89 N C 0.606 176.108 175.510 -0.014 0.000 1.206 89 N CA 0.180 53.239 53.050 0.013 0.000 1.074 89 N CB 1.125 39.603 38.487 -0.016 0.000 1.434 89 N HN 0.563 nan 8.380 nan 0.000 0.506 90 V N 1.377 121.272 119.914 -0.030 0.000 2.488 90 V HA -0.160 3.959 4.120 -0.001 0.000 0.246 90 V C 1.673 177.687 176.094 -0.133 0.000 1.046 90 V CA 1.696 63.899 62.300 -0.161 0.000 1.053 90 V CB -0.079 31.420 31.823 -0.540 0.000 0.679 90 V HN 0.582 nan 8.190 nan 0.000 0.458 91 S N -0.143 115.511 115.700 -0.077 0.000 2.399 91 S HA -0.187 4.283 4.470 -0.001 0.000 0.231 91 S C 1.888 176.511 174.600 0.039 0.000 1.022 91 S CA 1.900 60.091 58.200 -0.015 0.000 0.983 91 S CB -0.460 62.753 63.200 0.020 0.000 0.803 91 S HN 0.738 nan 8.310 nan 0.000 0.480 92 T N 2.556 117.131 114.554 0.034 0.000 2.708 92 T HA -0.035 4.315 4.350 -0.001 0.000 0.266 92 T C 2.230 176.948 174.700 0.030 0.000 1.037 92 T CA 1.254 63.385 62.100 0.052 0.000 1.146 92 T CB -0.577 68.290 68.868 -0.002 0.000 0.865 92 T HN 0.479 nan 8.240 nan 0.000 0.435 93 A N 1.072 123.895 122.820 0.006 0.000 1.908 93 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 93 A C 2.572 180.231 177.584 0.125 0.000 1.181 93 A CA 2.182 54.262 52.037 0.072 0.000 0.627 93 A CB -1.091 17.894 19.000 -0.025 0.000 0.818 93 A HN 0.450 nan 8.150 nan 0.000 0.445 94 S N -0.554 115.175 115.700 0.048 0.000 2.382 94 S HA -0.015 4.454 4.470 -0.001 0.000 0.228 94 S C 2.162 176.804 174.600 0.070 0.000 1.027 94 S CA 1.441 59.664 58.200 0.039 0.000 0.991 94 S CB -0.486 62.712 63.200 -0.004 0.000 0.823 94 S HN 0.836 nan 8.310 nan 0.000 0.469 95 A N 1.313 124.197 122.820 0.106 0.000 1.940 95 A HA -0.056 4.264 4.320 -0.001 0.000 0.219 95 A C 2.037 179.691 177.584 0.117 0.000 1.176 95 A CA 1.628 53.772 52.037 0.179 0.000 0.631 95 A CB -0.760 18.447 19.000 0.345 0.000 0.814 95 A HN 0.647 nan 8.150 nan 0.000 0.446 96 I N -0.056 120.517 120.570 0.006 0.000 2.252 96 I HA -0.237 3.932 4.170 -0.001 0.000 0.245 96 I C 2.265 178.328 176.117 -0.089 0.000 1.102 96 I CA 0.940 62.183 61.300 -0.095 0.000 1.385 96 I CB -0.345 37.613 38.000 -0.070 0.000 1.064 96 I HN 0.295 nan 8.210 nan 0.000 0.414 97 L N 0.170 121.356 121.223 -0.063 0.000 2.046 97 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 97 L C 2.541 179.396 176.870 -0.025 0.000 1.077 97 L CA 1.525 56.311 54.840 -0.090 0.000 0.747 97 L CB -0.852 41.166 42.059 -0.068 0.000 0.896 97 L HN 0.302 nan 8.230 nan 0.000 0.432 98 L N 0.198 121.441 121.223 0.033 0.000 2.141 98 L HA -0.145 4.194 4.340 -0.001 0.000 0.209 98 L C 2.884 179.799 176.870 0.075 0.000 1.094 98 L CA 1.285 56.167 54.840 0.070 0.000 0.763 98 L CB -0.480 41.638 42.059 0.097 0.000 0.908 98 L HN 0.382 nan 8.230 nan 0.000 0.437 99 S N -0.365 115.387 115.700 0.086 0.000 2.469 99 S HA -0.120 4.350 4.470 -0.001 0.000 0.238 99 S C 1.912 176.544 174.600 0.054 0.000 0.998 99 S CA 0.522 58.785 58.200 0.105 0.000 0.957 99 S CB -0.330 62.964 63.200 0.155 0.000 0.764 99 S HN 0.253 nan 8.310 nan 0.000 0.514 100 L N 1.628 122.858 121.223 0.013 0.000 2.191 100 L HA 0.059 4.399 4.340 -0.001 0.000 0.212 100 L C 2.225 179.109 176.870 0.023 0.000 1.103 100 L CA 1.571 56.408 54.840 -0.005 0.000 0.769 100 L CB -0.937 41.092 42.059 -0.051 0.000 0.908 100 L HN 0.645 nan 8.230 nan 0.000 0.438 101 V N -5.547 114.396 119.914 0.048 0.000 3.398 101 V HA 0.409 4.528 4.120 -0.001 0.000 0.298 101 V C 0.369 176.489 176.094 0.044 0.000 1.496 101 V CA -0.467 61.871 62.300 0.064 0.000 1.044 101 V CB 0.425 32.326 31.823 0.130 0.000 0.880 101 V HN 0.408 nan 8.190 nan 0.000 0.443 102 N N 0.917 119.645 118.700 0.046 0.000 2.710 102 N HA 0.330 5.069 4.740 -0.001 0.000 0.257 102 N C -3.396 172.151 175.510 0.060 0.000 1.140 102 N CA -0.868 52.202 53.050 0.033 0.000 0.953 102 N CB 3.068 41.560 38.487 0.008 0.000 1.664 102 N HN -0.059 nan 8.380 nan 0.000 0.497 103 P HA 0.050 nan 4.420 nan 0.000 0.265 103 P C -0.697 176.652 177.300 0.081 0.000 1.193 103 P CA 0.018 63.160 63.100 0.071 0.000 0.765 103 P CB 0.661 32.394 31.700 0.054 0.000 0.823 104 V N 2.782 122.753 119.914 0.095 0.000 2.604 104 V HA 0.678 4.797 4.120 -0.001 0.000 0.305 104 V C 0.156 176.210 176.094 -0.066 0.000 1.043 104 V CA -0.770 61.580 62.300 0.084 0.000 0.888 104 V CB 1.796 33.755 31.823 0.227 0.000 0.995 104 V HN 0.670 nan 8.190 nan 0.000 0.429 105 A N 4.786 127.560 122.820 -0.077 0.000 2.410 105 A HA 0.682 5.001 4.320 -0.001 0.000 0.289 105 A C -0.368 177.139 177.584 -0.127 0.000 1.200 105 A CA -0.694 51.234 52.037 -0.181 0.000 0.751 105 A CB 0.651 19.569 19.000 -0.137 0.000 1.161 105 A HN 0.766 nan 8.150 nan 0.000 0.459 106 K N 1.152 121.431 120.400 -0.201 0.000 2.106 106 K HA 0.646 4.966 4.320 -0.001 0.000 0.246 106 K C -0.489 175.932 176.600 -0.297 0.000 0.987 106 K CA -0.557 55.690 56.287 -0.067 0.000 0.904 106 K CB 1.321 33.908 32.500 0.144 0.000 1.071 106 K HN 1.012 nan 8.250 nan 0.000 0.453 107 H N -2.509 116.285 119.070 -0.459 0.000 3.016 107 H HA 0.746 5.301 4.556 -0.001 0.000 0.362 107 H C -0.271 174.809 175.328 -0.413 0.000 1.233 107 H CA -1.052 54.568 56.048 -0.713 0.000 1.124 107 H CB 2.092 31.651 29.762 -0.339 0.000 1.850 107 H HN 0.748 nan 8.280 nan 0.000 0.549 108 G N 0.474 109.026 108.800 -0.413 0.000 2.344 108 G HA2 0.134 4.094 3.960 -0.001 0.000 0.282 108 G HA3 0.134 4.094 3.960 -0.001 0.000 0.282 108 G C -1.902 173.109 174.900 0.186 0.000 1.281 108 G CA -1.021 44.051 45.100 -0.047 0.000 0.877 108 G HN 0.721 nan 8.290 nan 0.000 0.494 109 N N 0.080 118.882 118.700 0.170 0.000 2.328 109 N HA 0.438 5.177 4.740 -0.001 0.000 0.299 109 N C -0.239 175.350 175.510 0.131 0.000 1.179 109 N CA -0.731 52.402 53.050 0.139 0.000 0.793 109 N CB 2.084 40.603 38.487 0.052 0.000 1.366 109 N HN 0.472 nan 8.380 nan 0.000 0.493 110 R N 0.592 121.151 120.500 0.099 0.000 2.640 110 R HA 0.140 4.479 4.340 -0.001 0.000 0.270 110 R C 0.343 176.661 176.300 0.030 0.000 1.024 110 R CA 0.021 56.153 56.100 0.052 0.000 1.085 110 R CB 0.280 30.605 30.300 0.042 0.000 0.963 110 R HN 0.581 nan 8.270 nan 0.000 0.426 111 A N 2.638 125.467 122.820 0.016 0.000 2.346 111 A HA 0.258 4.577 4.320 -0.001 0.000 0.252 111 A C 0.463 178.048 177.584 0.002 0.000 1.089 111 A CA -0.667 51.374 52.037 0.006 0.000 0.797 111 A CB 0.320 19.321 19.000 0.001 0.000 1.047 111 A HN 0.617 nan 8.150 nan 0.000 0.494 112 V N 0.120 120.032 119.914 -0.003 0.000 3.096 112 V HA 0.449 4.568 4.120 -0.001 0.000 0.306 112 V C 0.602 176.694 176.094 -0.003 0.000 1.088 112 V CA -0.203 62.095 62.300 -0.004 0.000 1.129 112 V CB 0.314 32.133 31.823 -0.007 0.000 1.014 112 V HN 1.183 nan 8.190 nan 0.000 0.486 113 S N 2.043 117.742 115.700 -0.002 0.000 2.549 113 S HA 0.509 4.978 4.470 -0.001 0.000 0.279 113 S C 0.552 175.151 174.600 -0.003 0.000 1.321 113 S CA -0.001 58.199 58.200 -0.001 0.000 1.054 113 S CB 0.927 64.127 63.200 -0.000 0.000 0.899 113 S HN 1.698 nan 8.310 nan 0.000 0.497 114 G N 2.709 111.507 108.800 -0.003 0.000 4.873 114 G HA2 0.305 4.264 3.960 -0.001 0.000 0.314 114 G HA3 0.305 4.264 3.960 -0.001 0.000 0.314 114 G C 0.077 174.974 174.900 -0.004 0.000 1.426 114 G CA -0.735 44.363 45.100 -0.003 0.000 1.136 114 G HN 0.459 nan 8.290 nan 0.000 0.589 115 K N 0.078 120.475 120.400 -0.004 0.000 2.127 115 K HA 0.499 4.818 4.320 -0.001 0.000 0.240 115 K C -0.195 176.402 176.600 -0.006 0.000 1.024 115 K CA -0.569 55.715 56.287 -0.005 0.000 0.918 115 K CB 1.521 34.018 32.500 -0.005 0.000 1.108 115 K HN 0.131 nan 8.250 nan 0.000 0.485 116 S N 0.047 115.743 115.700 -0.006 0.000 2.667 116 S HA 0.483 4.953 4.470 -0.001 0.000 0.304 116 S C -0.192 174.403 174.600 -0.009 0.000 1.135 116 S CA -0.636 57.558 58.200 -0.011 0.000 1.125 116 S CB 0.286 63.478 63.200 -0.013 0.000 0.996 116 S HN 0.643 nan 8.310 nan 0.000 0.474 117 G N 1.868 110.661 108.800 -0.011 0.000 2.535 117 G HA2 0.367 4.327 3.960 -0.001 0.000 0.303 117 G HA3 0.367 4.327 3.960 -0.001 0.000 0.303 117 G C 1.025 175.905 174.900 -0.033 0.000 1.237 117 G CA -0.137 44.960 45.100 -0.005 0.000 0.986 117 G HN 0.692 nan 8.290 nan 0.000 0.494 118 S N -0.490 115.199 115.700 -0.018 0.000 2.370 118 S HA -0.153 4.316 4.470 -0.001 0.000 0.226 118 S C 2.676 177.089 174.600 -0.312 0.000 1.033 118 S CA 2.115 60.267 58.200 -0.080 0.000 1.011 118 S CB -0.586 62.656 63.200 0.071 0.000 0.852 118 S HN 0.920 nan 8.310 nan 0.000 0.457 119 A N 1.600 124.208 122.820 -0.354 0.000 1.908 119 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 119 A C 1.927 179.364 177.584 -0.245 0.000 1.181 119 A CA 1.907 53.633 52.037 -0.517 0.000 0.627 119 A CB -0.860 18.062 19.000 -0.131 0.000 0.818 119 A HN 0.664 nan 8.150 nan 0.000 0.445 120 D N -0.613 119.713 120.400 -0.123 0.000 2.117 120 D HA -0.096 4.543 4.640 -0.001 0.000 0.198 120 D C 2.008 178.265 176.300 -0.072 0.000 0.982 120 D CA 1.400 55.360 54.000 -0.065 0.000 0.828 120 D CB -0.473 40.306 40.800 -0.035 0.000 0.967 120 D HN 0.248 nan 8.370 nan 0.000 0.464 121 V N 1.131 120.989 119.914 -0.094 0.000 2.427 121 V HA -0.165 3.955 4.120 -0.001 0.000 0.248 121 V C 2.481 178.518 176.094 -0.096 0.000 1.051 121 V CA 1.018 63.267 62.300 -0.085 0.000 1.048 121 V CB -0.298 31.474 31.823 -0.085 0.000 0.666 121 V HN 0.110 nan 8.190 nan 0.000 0.456 122 L N -0.264 120.864 121.223 -0.158 0.000 2.042 122 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 122 L C 2.641 179.510 176.870 -0.002 0.000 1.076 122 L CA 2.217 56.970 54.840 -0.146 0.000 0.749 122 L CB -0.624 41.219 42.059 -0.360 0.000 0.893 122 L HN 0.395 nan 8.230 nan 0.000 0.432 123 E N -0.177 120.017 120.200 -0.010 0.000 2.077 123 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 123 E C 2.283 178.900 176.600 0.029 0.000 0.989 123 E CA 1.083 57.510 56.400 0.044 0.000 0.800 123 E CB -0.111 29.607 29.700 0.029 0.000 0.746 123 E HN 0.507 nan 8.360 nan 0.000 0.452 124 A N 1.046 123.866 122.820 0.001 0.000 1.933 124 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 124 A C 1.989 179.575 177.584 0.004 0.000 1.175 124 A CA 0.985 53.020 52.037 -0.003 0.000 0.628 124 A CB -0.276 18.712 19.000 -0.019 0.000 0.814 124 A HN 0.129 nan 8.150 nan 0.000 0.444 125 L N -1.627 119.599 121.223 0.005 0.000 2.376 125 L HA 0.114 4.453 4.340 -0.001 0.000 0.219 125 L C 1.863 178.762 176.870 0.049 0.000 1.133 125 L CA 1.659 56.510 54.840 0.017 0.000 0.816 125 L CB -1.107 40.956 42.059 0.006 0.000 0.933 125 L HN 0.715 nan 8.230 nan 0.000 0.449 126 G N -2.551 106.290 108.800 0.068 0.000 2.192 126 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.193 126 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.193 126 G C 0.188 175.152 174.900 0.106 0.000 0.999 126 G CA -0.178 44.964 45.100 0.070 0.000 0.659 126 G HN 0.240 nan 8.290 nan 0.000 0.503 127 Y N 1.766 122.076 120.300 0.017 0.000 2.411 127 Y HA 0.531 5.080 4.550 -0.001 0.000 0.333 127 Y C 0.490 176.426 175.900 0.059 0.000 1.186 127 Y CA -0.152 57.977 58.100 0.049 0.000 1.381 127 Y CB 0.786 39.280 38.460 0.057 0.000 1.273 127 Y HN 0.148 nan 8.280 nan 0.000 0.546 128 N N 6.403 124.929 118.700 -0.290 0.000 2.437 128 N HA 0.078 4.817 4.740 -0.001 0.000 0.243 128 N C 0.350 175.856 175.510 -0.006 0.000 1.041 128 N CA -0.327 52.653 53.050 -0.117 0.000 0.940 128 N CB 0.148 38.546 38.487 -0.149 0.000 1.133 128 N HN 0.782 nan 8.380 nan 0.000 0.506 129 I N 0.900 121.622 120.570 0.253 0.000 3.564 129 I HA 0.256 4.425 4.170 -0.001 0.000 0.294 129 I C -0.079 176.269 176.117 0.385 0.000 1.289 129 I CA 0.161 61.733 61.300 0.452 0.000 1.325 129 I CB -0.035 38.240 38.000 0.458 0.000 1.039 129 I HN 0.299 nan 8.210 nan 0.000 0.474 130 I N 3.284 123.976 120.570 0.204 0.000 2.260 130 I HA 0.185 4.354 4.170 -0.001 0.000 0.297 130 I C -0.689 175.413 176.117 -0.024 0.000 1.143 130 I CA -0.295 61.028 61.300 0.038 0.000 1.271 130 I CB 0.536 38.520 38.000 -0.027 0.000 1.461 130 I HN -0.037 nan 8.210 nan 0.000 0.530 131 V N 7.732 127.668 119.914 0.037 0.000 2.340 131 V HA 0.289 4.408 4.120 -0.001 0.000 0.277 131 V C -2.175 173.970 176.094 0.084 0.000 1.017 131 V CA -1.674 60.675 62.300 0.081 0.000 0.820 131 V CB 1.112 33.048 31.823 0.188 0.000 1.028 131 V HN 0.478 nan 8.190 nan 0.000 0.436 132 P HA 0.176 nan 4.420 nan 0.000 0.269 132 P C -1.981 175.347 177.300 0.047 0.000 1.215 132 P CA -1.103 61.953 63.100 -0.074 0.000 0.780 132 P CB 0.291 31.931 31.700 -0.100 0.000 0.898 133 P HA -0.253 nan 4.420 nan 0.000 0.217 133 P C 1.343 178.689 177.300 0.076 0.000 1.162 133 P CA 1.763 64.932 63.100 0.114 0.000 0.901 133 P CB -0.067 31.642 31.700 0.015 0.000 0.793 134 E N -0.954 119.262 120.200 0.027 0.000 2.077 134 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 134 E C 2.154 178.770 176.600 0.025 0.000 0.989 134 E CA 1.039 57.450 56.400 0.019 0.000 0.800 134 E CB -0.624 29.077 29.700 0.001 0.000 0.746 134 E HN 0.102 nan 8.360 nan 0.000 0.452 135 R N 1.187 121.701 120.500 0.024 0.000 2.091 135 R HA -0.097 4.243 4.340 -0.001 0.000 0.238 135 R C 2.163 178.492 176.300 0.048 0.000 1.136 135 R CA 1.683 57.799 56.100 0.027 0.000 0.959 135 R CB -0.687 29.622 30.300 0.015 0.000 0.856 135 R HN 0.156 nan 8.270 nan 0.000 0.437 136 A N 0.565 123.430 122.820 0.075 0.000 1.865 136 A HA -0.241 4.079 4.320 -0.001 0.000 0.217 136 A C 2.100 179.709 177.584 0.042 0.000 1.191 136 A CA 1.980 54.060 52.037 0.071 0.000 0.623 136 A CB -0.604 18.454 19.000 0.096 0.000 0.826 136 A HN 0.398 nan 8.150 nan 0.000 0.444 137 K N -0.420 120.004 120.400 0.040 0.000 2.034 137 K HA -0.230 4.089 4.320 -0.001 0.000 0.214 137 K C 2.054 178.672 176.600 0.029 0.000 1.051 137 K CA 2.124 58.427 56.287 0.027 0.000 0.931 137 K CB -0.222 32.292 32.500 0.024 0.000 0.715 137 K HN 0.682 nan 8.250 nan 0.000 0.446 138 E N 0.356 120.575 120.200 0.031 0.000 2.058 138 E HA -0.206 4.144 4.350 -0.001 0.000 0.194 138 E C 2.073 178.699 176.600 0.043 0.000 0.997 138 E CA 1.273 57.692 56.400 0.031 0.000 0.801 138 E CB -0.123 29.592 29.700 0.025 0.000 0.746 138 E HN 0.237 nan 8.360 nan 0.000 0.450 139 L N 0.609 121.865 121.223 0.055 0.000 2.079 139 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 139 L C 2.439 179.366 176.870 0.094 0.000 1.081 139 L CA 0.754 55.644 54.840 0.084 0.000 0.752 139 L CB -0.359 41.766 42.059 0.109 0.000 0.896 139 L HN 0.082 nan 8.230 nan 0.000 0.433 140 V N -0.269 119.684 119.914 0.065 0.000 2.379 140 V HA -0.213 3.907 4.120 -0.001 0.000 0.245 140 V C 2.182 178.311 176.094 0.058 0.000 1.044 140 V CA 1.549 63.883 62.300 0.057 0.000 1.036 140 V CB -0.668 31.167 31.823 0.020 0.000 0.664 140 V HN 0.468 nan 8.190 nan 0.000 0.453 141 N N 0.718 119.446 118.700 0.046 0.000 2.069 141 N HA -0.165 4.575 4.740 -0.001 0.000 0.191 141 N C 1.824 177.361 175.510 0.045 0.000 1.031 141 N CA 1.525 54.599 53.050 0.040 0.000 0.852 141 N CB -0.269 38.236 38.487 0.031 0.000 1.018 141 N HN 0.522 nan 8.380 nan 0.000 0.423 142 K N -0.579 119.852 120.400 0.052 0.000 2.116 142 K HA 0.040 4.360 4.320 -0.001 0.000 0.203 142 K C 1.485 178.123 176.600 0.063 0.000 1.052 142 K CA 1.440 57.758 56.287 0.050 0.000 0.952 142 K CB 0.164 32.692 32.500 0.047 0.000 0.729 142 K HN 0.356 nan 8.250 nan 0.000 0.446 143 T N -3.780 110.828 114.554 0.091 0.000 3.058 143 T HA 0.174 4.524 4.350 -0.001 0.000 0.278 143 T C 0.281 175.069 174.700 0.146 0.000 0.974 143 T CA -0.394 61.775 62.100 0.115 0.000 0.893 143 T CB -0.113 68.845 68.868 0.150 0.000 1.138 143 T HN 0.204 nan 8.240 nan 0.000 0.529 144 N N -0.121 118.657 118.700 0.130 0.000 2.753 144 N HA -0.169 4.570 4.740 -0.001 0.000 0.251 144 N C -0.923 174.720 175.510 0.221 0.000 1.097 144 N CA 0.661 53.792 53.050 0.135 0.000 0.786 144 N CB -0.823 37.728 38.487 0.107 0.000 1.137 144 N HN 0.618 nan 8.380 nan 0.000 0.566 145 F N 0.222 120.218 119.950 0.076 0.000 2.608 145 F HA 0.670 5.196 4.527 -0.001 0.000 0.309 145 F C -1.246 174.636 175.800 0.137 0.000 1.103 145 F CA -0.631 57.425 58.000 0.093 0.000 0.954 145 F CB 1.848 40.903 39.000 0.092 0.000 1.267 145 F HN -0.252 nan 8.300 nan 0.000 0.444 146 V N 6.375 125.849 119.914 -0.734 0.000 3.048 146 V HA 0.522 4.641 4.120 -0.001 0.000 0.303 146 V C -2.124 173.557 176.094 -0.690 0.000 1.214 146 V CA -0.747 61.304 62.300 -0.415 0.000 0.984 146 V CB 2.189 33.941 31.823 -0.120 0.000 1.054 146 V HN 0.678 nan 8.190 nan 0.000 0.430 147 F N 6.254 125.987 119.950 -0.362 0.000 2.444 147 F HA 0.715 5.242 4.527 -0.001 0.000 0.342 147 F C -0.741 175.037 175.800 -0.036 0.000 1.121 147 F CA -0.634 57.228 58.000 -0.231 0.000 0.997 147 F CB 1.426 40.320 39.000 -0.177 0.000 1.130 147 F HN 0.385 nan 8.300 nan 0.000 0.454 148 L N 6.004 126.813 121.223 -0.690 0.000 2.283 148 L HA 0.310 4.649 4.340 -0.001 0.000 0.281 148 L C 0.267 176.901 176.870 -0.393 0.000 1.033 148 L CA -0.731 53.747 54.840 -0.603 0.000 0.848 148 L CB 1.142 42.596 42.059 -1.009 0.000 1.226 148 L HN 0.621 nan 8.230 nan 0.000 0.429 149 S N 2.046 117.829 115.700 0.139 0.000 2.525 149 S HA 0.209 4.679 4.470 -0.001 0.000 0.285 149 S C 1.409 176.175 174.600 0.276 0.000 1.283 149 S CA 0.094 58.466 58.200 0.287 0.000 1.072 149 S CB 1.293 64.782 63.200 0.481 0.000 0.867 149 S HN 0.705 nan 8.310 nan 0.000 0.492 150 A N 4.372 127.306 122.820 0.190 0.000 1.978 150 A HA -0.170 4.150 4.320 -0.001 0.000 0.220 150 A C 2.113 179.767 177.584 0.117 0.000 1.170 150 A CA 1.907 54.090 52.037 0.243 0.000 0.636 150 A CB -0.927 18.187 19.000 0.190 0.000 0.810 150 A HN 1.003 nan 8.150 nan 0.000 0.448 151 Q N -1.755 118.006 119.800 -0.064 0.000 2.152 151 Q HA -0.248 4.091 4.340 -0.001 0.000 0.206 151 Q C 1.491 177.277 176.000 -0.357 0.000 0.985 151 Q CA 2.340 57.961 55.803 -0.303 0.000 0.863 151 Q CB -0.234 28.153 28.738 -0.584 0.000 0.904 151 Q HN 0.789 nan 8.270 nan 0.000 0.422 152 Y N -2.468 117.892 120.300 0.100 0.000 2.479 152 Y HA 0.057 4.607 4.550 -0.001 0.000 0.283 152 Y C 1.137 176.914 175.900 -0.205 0.000 1.109 152 Y CA 0.369 58.434 58.100 -0.058 0.000 1.239 152 Y CB 0.051 38.456 38.460 -0.091 0.000 1.108 152 Y HN 0.115 nan 8.280 nan 0.000 0.548 153 Y N -1.857 118.487 120.300 0.074 0.000 2.509 153 Y HA 0.137 4.686 4.550 -0.001 0.000 0.270 153 Y C 0.776 176.513 175.900 -0.273 0.000 1.103 153 Y CA 0.469 58.511 58.100 -0.097 0.000 1.278 153 Y CB 0.292 38.665 38.460 -0.144 0.000 1.087 153 Y HN 0.057 nan 8.280 nan 0.000 0.542 154 H N 0.701 119.854 119.070 0.138 0.000 2.429 154 H HA 0.222 4.778 4.556 -0.001 0.000 0.237 154 H C -1.905 173.431 175.328 0.013 0.000 1.378 154 H CA -1.527 54.561 56.048 0.067 0.000 1.170 154 H CB 0.461 30.269 29.762 0.076 0.000 1.671 154 H HN 0.222 nan 8.280 nan 0.000 0.541 155 P HA -0.054 nan 4.420 nan 0.000 0.223 155 P C 1.416 178.722 177.300 0.010 0.000 1.151 155 P CA 0.689 63.798 63.100 0.015 0.000 0.787 155 P CB 0.370 32.069 31.700 -0.002 0.000 0.788 156 A N -0.435 122.401 122.820 0.025 0.000 2.119 156 A HA -0.039 4.280 4.320 -0.001 0.000 0.217 156 A C 2.081 179.655 177.584 -0.016 0.000 1.153 156 A CA 0.947 52.989 52.037 0.008 0.000 0.692 156 A CB -1.117 17.894 19.000 0.020 0.000 0.799 156 A HN -0.008 nan 8.150 nan 0.000 0.458 157 M N 0.699 120.287 119.600 -0.020 0.000 2.446 157 M HA -0.158 4.321 4.480 -0.001 0.000 0.263 157 M C 1.978 178.212 176.300 -0.110 0.000 1.066 157 M CA 1.689 56.928 55.300 -0.102 0.000 1.087 157 M CB -1.010 31.525 32.600 -0.109 0.000 1.406 157 M HN 0.741 nan 8.290 nan 0.000 0.459 158 K N -0.514 119.847 120.400 -0.065 0.000 2.211 158 K HA -0.162 4.158 4.320 -0.001 0.000 0.204 158 K C 1.183 177.750 176.600 -0.054 0.000 1.047 158 K CA 1.419 57.671 56.287 -0.058 0.000 0.935 158 K CB -0.463 32.012 32.500 -0.041 0.000 0.728 158 K HN 0.285 nan 8.250 nan 0.000 0.452 159 N N 1.217 119.887 118.700 -0.052 0.000 2.457 159 N HA -0.070 4.669 4.740 -0.001 0.000 0.180 159 N C 1.610 177.094 175.510 -0.043 0.000 1.050 159 N CA 1.383 54.411 53.050 -0.036 0.000 0.906 159 N CB 0.528 39.002 38.487 -0.021 0.000 0.968 159 N HN 0.392 nan 8.380 nan 0.000 0.445 160 V N -3.067 116.792 119.914 -0.091 0.000 3.578 160 V HA 0.470 4.589 4.120 -0.001 0.000 0.290 160 V C 1.910 177.942 176.094 -0.103 0.000 1.376 160 V CA 0.384 62.622 62.300 -0.103 0.000 1.083 160 V CB -0.061 31.626 31.823 -0.226 0.000 0.911 160 V HN 0.020 nan 8.190 nan 0.000 0.433 161 A N 1.548 124.312 122.820 -0.092 0.000 1.883 161 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 161 A C 2.207 179.766 177.584 -0.043 0.000 1.186 161 A CA 2.336 54.328 52.037 -0.076 0.000 0.624 161 A CB -0.934 18.029 19.000 -0.062 0.000 0.822 161 A HN 0.671 nan 8.150 nan 0.000 0.444 162 N N -0.090 118.593 118.700 -0.028 0.000 2.142 162 N HA -0.120 4.620 4.740 -0.001 0.000 0.186 162 N C 1.730 177.238 175.510 -0.003 0.000 1.023 162 N CA 1.612 54.654 53.050 -0.013 0.000 0.852 162 N CB -0.068 38.414 38.487 -0.008 0.000 0.998 162 N HN 0.230 nan 8.380 nan 0.000 0.424 163 V N 2.113 122.029 119.914 0.003 0.000 2.295 163 V HA -0.181 3.938 4.120 -0.001 0.000 0.246 163 V C 2.606 178.714 176.094 0.023 0.000 1.049 163 V CA 1.450 63.762 62.300 0.021 0.000 1.024 163 V CB -0.525 31.322 31.823 0.040 0.000 0.648 163 V HN 0.337 nan 8.190 nan 0.000 0.447 164 R N -0.020 120.489 120.500 0.015 0.000 2.091 164 R HA -0.224 4.116 4.340 -0.001 0.000 0.238 164 R C 2.416 178.719 176.300 0.006 0.000 1.136 164 R CA 1.841 57.951 56.100 0.017 0.000 0.959 164 R CB -0.413 29.878 30.300 -0.015 0.000 0.856 164 R HN 0.480 nan 8.270 nan 0.000 0.437 165 K N 0.103 120.500 120.400 -0.005 0.000 2.062 165 K HA -0.077 4.242 4.320 -0.001 0.000 0.205 165 K C 1.855 178.456 176.600 0.001 0.000 1.051 165 K CA 1.627 57.910 56.287 -0.006 0.000 0.941 165 K CB 0.085 32.578 32.500 -0.011 0.000 0.719 165 K HN 0.041 nan 8.250 nan 0.000 0.440 166 T N 1.787 116.343 114.554 0.004 0.000 2.821 166 T HA -0.063 4.286 4.350 -0.001 0.000 0.267 166 T C 1.751 176.457 174.700 0.010 0.000 1.046 166 T CA 0.875 62.980 62.100 0.007 0.000 1.139 166 T CB -0.052 68.821 68.868 0.008 0.000 0.871 166 T HN 0.147 nan 8.240 nan 0.000 0.454 167 L N 0.273 121.505 121.223 0.015 0.000 2.083 167 L HA -0.019 4.321 4.340 -0.001 0.000 0.209 167 L C 2.522 179.400 176.870 0.013 0.000 1.083 167 L CA 1.275 56.126 54.840 0.018 0.000 0.752 167 L CB -0.823 41.253 42.059 0.028 0.000 0.899 167 L HN 0.573 nan 8.230 nan 0.000 0.433 168 G N 0.564 109.370 108.800 0.010 0.000 2.990 168 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.225 168 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.225 168 G C 0.562 175.464 174.900 0.003 0.000 1.304 168 G CA 0.431 45.534 45.100 0.005 0.000 0.816 168 G HN 0.462 nan 8.290 nan 0.000 0.528 169 I N 0.086 120.661 120.570 0.009 0.000 3.246 169 I HA 0.544 4.713 4.170 -0.001 0.000 0.280 169 I C 0.800 176.920 176.117 0.005 0.000 1.239 169 I CA -0.548 60.757 61.300 0.009 0.000 1.336 169 I CB 0.279 38.289 38.000 0.015 0.000 1.383 169 I HN 0.260 nan 8.210 nan 0.000 0.617 170 R N 1.706 122.206 120.500 -0.001 0.000 2.441 170 R HA 0.461 4.800 4.340 -0.001 0.000 0.284 170 R C -0.032 176.267 176.300 -0.001 0.000 1.070 170 R CA -0.120 55.972 56.100 -0.014 0.000 1.047 170 R CB 1.331 31.602 30.300 -0.050 0.000 1.016 170 R HN 0.918 nan 8.270 nan 0.000 0.477 171 T N -1.794 112.759 114.554 -0.002 0.000 2.831 171 T HA 0.269 4.619 4.350 -0.001 0.000 0.287 171 T C 1.203 175.837 174.700 -0.111 0.000 1.070 171 T CA -0.941 61.139 62.100 -0.033 0.000 1.010 171 T CB 0.774 69.665 68.868 0.037 0.000 1.264 171 T HN 0.575 nan 8.240 nan 0.000 0.532 172 I N -0.277 120.130 120.570 -0.271 0.000 2.236 172 I HA -0.148 4.021 4.170 -0.001 0.000 0.249 172 I C 1.846 177.767 176.117 -0.328 0.000 1.102 172 I CA 1.704 62.748 61.300 -0.426 0.000 1.365 172 I CB -0.233 37.276 38.000 -0.818 0.000 1.051 172 I HN 0.692 nan 8.210 nan 0.000 0.420 173 F N 0.764 120.642 119.950 -0.119 0.000 2.269 173 F HA -0.211 4.316 4.527 -0.001 0.000 0.301 173 F C 2.139 177.903 175.800 -0.061 0.000 1.082 173 F CA 0.958 58.929 58.000 -0.049 0.000 1.360 173 F CB -0.463 38.531 39.000 -0.011 0.000 1.041 173 F HN 0.192 nan 8.300 nan 0.000 0.512 174 N N 0.769 119.515 118.700 0.077 0.000 2.515 174 N HA 0.008 4.748 4.740 -0.001 0.000 0.185 174 N C 1.306 176.794 175.510 -0.037 0.000 1.109 174 N CA 0.894 53.944 53.050 -0.001 0.000 0.903 174 N CB 0.088 38.541 38.487 -0.057 0.000 0.969 174 N HN 0.451 nan 8.380 nan 0.000 0.450 175 I N -3.263 117.278 120.570 -0.047 0.000 3.936 175 I HA 0.247 4.417 4.170 -0.001 0.000 0.330 175 I C 0.752 176.870 176.117 0.001 0.000 1.509 175 I CA -0.041 61.231 61.300 -0.046 0.000 1.126 175 I CB 0.003 37.913 38.000 -0.149 0.000 1.115 175 I HN -0.172 nan 8.210 nan 0.000 0.424 176 L N 0.790 122.036 121.223 0.038 0.000 2.556 176 L HA 0.402 4.741 4.340 -0.001 0.000 0.226 176 L C 2.509 179.449 176.870 0.116 0.000 1.089 176 L CA 0.710 55.603 54.840 0.087 0.000 0.864 176 L CB -0.134 42.000 42.059 0.125 0.000 1.067 176 L HN 0.401 nan 8.230 nan 0.000 0.477 177 G N 2.302 111.154 108.800 0.087 0.000 2.631 177 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.219 177 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.219 177 G C -0.838 174.181 174.900 0.199 0.000 1.214 177 G CA 1.070 46.223 45.100 0.089 0.000 0.785 177 G HN 0.285 nan 8.290 nan 0.000 0.596 178 P HA 0.081 nan 4.420 nan 0.000 0.230 178 P C 1.428 178.882 177.300 0.256 0.000 1.158 178 P CA 0.611 63.835 63.100 0.206 0.000 0.769 178 P CB -0.029 31.739 31.700 0.114 0.000 0.807 179 L N -1.396 119.977 121.223 0.250 0.000 2.607 179 L HA 0.152 4.491 4.340 -0.001 0.000 0.228 179 L C 0.832 177.860 176.870 0.264 0.000 1.123 179 L CA 0.659 55.693 54.840 0.325 0.000 0.890 179 L CB -0.448 41.762 42.059 0.252 0.000 1.103 179 L HN 0.042 nan 8.230 nan 0.000 0.468 180 T N -4.771 109.920 114.554 0.228 0.000 3.487 180 T HA 0.127 4.476 4.350 -0.001 0.000 0.287 180 T C 0.132 174.829 174.700 -0.005 0.000 1.004 180 T CA -0.550 61.648 62.100 0.164 0.000 0.977 180 T CB -0.545 68.433 68.868 0.183 0.000 1.180 180 T HN 0.054 nan 8.240 nan 0.000 0.490 181 N N 3.381 121.997 118.700 -0.139 0.000 2.440 181 N HA 0.144 4.883 4.740 -0.001 0.000 0.265 181 N C -1.297 174.026 175.510 -0.310 0.000 1.239 181 N CA -1.267 51.504 53.050 -0.465 0.000 0.909 181 N CB 0.919 39.336 38.487 -0.117 0.000 1.066 181 N HN 0.100 nan 8.380 nan 0.000 0.474 182 P HA 0.057 nan 4.420 nan 0.000 0.249 182 P C 0.021 177.211 177.300 -0.182 0.000 1.229 182 P CA 0.355 63.302 63.100 -0.256 0.000 0.788 182 P CB 0.295 31.815 31.700 -0.300 0.000 1.072 183 A N 0.012 122.712 122.820 -0.201 0.000 2.251 183 A HA 0.104 4.423 4.320 -0.001 0.000 0.209 183 A C 0.968 178.500 177.584 -0.087 0.000 1.187 183 A CA 0.324 52.283 52.037 -0.130 0.000 0.823 183 A CB -1.103 17.814 19.000 -0.138 0.000 0.846 183 A HN 0.146 nan 8.150 nan 0.000 0.486 184 N N -1.793 116.847 118.700 -0.099 0.000 2.754 184 N HA -0.178 4.561 4.740 -0.001 0.000 0.248 184 N C 0.013 175.485 175.510 -0.064 0.000 1.093 184 N CA 0.808 53.800 53.050 -0.097 0.000 0.699 184 N CB -1.801 36.631 38.487 -0.093 0.000 1.016 184 N HN 0.746 nan 8.380 nan 0.000 0.552 185 A N 0.607 123.421 122.820 -0.010 0.000 2.515 185 A HA 0.116 4.436 4.320 -0.001 0.000 0.263 185 A C 1.358 179.002 177.584 0.100 0.000 1.096 185 A CA 0.204 52.285 52.037 0.072 0.000 0.769 185 A CB 0.328 19.399 19.000 0.119 0.000 1.040 185 A HN 0.288 nan 8.150 nan 0.000 0.505 186 K N 1.654 122.071 120.400 0.028 0.000 2.418 186 K HA 0.027 4.346 4.320 -0.001 0.000 0.195 186 K C -0.759 175.716 176.600 -0.207 0.000 1.035 186 K CA 0.832 57.041 56.287 -0.130 0.000 1.003 186 K CB -0.018 32.290 32.500 -0.320 0.000 0.793 186 K HN 0.765 nan 8.250 nan 0.000 0.494 187 Y N 0.331 120.751 120.300 0.200 0.000 2.393 187 Y HA 0.390 4.940 4.550 -0.001 0.000 0.341 187 Y C -0.005 175.983 175.900 0.147 0.000 0.988 187 Y CA -1.105 57.090 58.100 0.158 0.000 1.078 187 Y CB 1.866 40.385 38.460 0.099 0.000 1.203 187 Y HN -0.151 nan 8.280 nan 0.000 0.453 188 Q N 2.721 122.642 119.800 0.202 0.000 2.281 188 Q HA 0.464 4.803 4.340 -0.001 0.000 0.263 188 Q C -2.459 173.572 176.000 0.053 0.000 0.989 188 Q CA -0.700 55.154 55.803 0.085 0.000 0.852 188 Q CB 1.788 30.471 28.738 -0.093 0.000 1.337 188 Q HN 0.692 nan 8.270 nan 0.000 0.418 189 L N 4.575 125.849 121.223 0.085 0.000 2.257 189 L HA 0.643 4.982 4.340 -0.001 0.000 0.290 189 L C -1.192 175.710 176.870 0.054 0.000 1.044 189 L CA -0.070 54.818 54.840 0.079 0.000 0.810 189 L CB 1.064 43.184 42.059 0.102 0.000 1.193 189 L HN 0.947 nan 8.230 nan 0.000 0.425 190 M N 4.868 124.488 119.600 0.034 0.000 2.072 190 M HA 0.601 5.080 4.480 -0.001 0.000 0.331 190 M C -0.005 176.338 176.300 0.072 0.000 1.004 190 M CA -0.432 54.891 55.300 0.039 0.000 0.952 190 M CB 0.950 33.546 32.600 -0.006 0.000 1.511 190 M HN 0.737 nan 8.290 nan 0.000 0.422 191 G N 3.846 112.697 108.800 0.086 0.000 2.372 191 G HA2 0.538 4.497 3.960 -0.001 0.000 0.283 191 G HA3 0.538 4.497 3.960 -0.001 0.000 0.283 191 G C -0.934 174.060 174.900 0.157 0.000 1.177 191 G CA -0.510 44.660 45.100 0.116 0.000 0.842 191 G HN 0.826 nan 8.290 nan 0.000 0.503 192 V N 1.637 121.678 119.914 0.213 0.000 2.588 192 V HA 0.624 4.743 4.120 -0.001 0.000 0.304 192 V C 0.570 176.897 176.094 0.388 0.000 1.042 192 V CA -1.006 61.461 62.300 0.277 0.000 0.877 192 V CB 1.351 33.306 31.823 0.220 0.000 0.996 192 V HN 0.876 nan 8.190 nan 0.000 0.425 193 F N 3.030 123.109 119.950 0.214 0.000 2.558 193 F HA 0.392 4.918 4.527 -0.001 0.000 0.298 193 F C 0.928 176.913 175.800 0.308 0.000 1.119 193 F CA 0.533 58.685 58.000 0.253 0.000 1.451 193 F CB -0.019 39.077 39.000 0.161 0.000 1.091 193 F HN 0.676 nan 8.300 nan 0.000 0.563 194 S N 0.351 115.686 115.700 -0.608 0.000 2.500 194 S HA 0.271 4.740 4.470 -0.001 0.000 0.301 194 S C 0.491 174.635 174.600 -0.762 0.000 1.092 194 S CA -0.926 56.732 58.200 -0.902 0.000 1.030 194 S CB 1.931 64.432 63.200 -1.165 0.000 1.031 194 S HN 0.338 nan 8.310 nan 0.000 0.483 195 K N 1.369 121.025 120.400 -1.240 0.000 2.209 195 K HA -0.117 4.202 4.320 -0.001 0.000 0.204 195 K C 0.393 176.649 176.600 -0.575 0.000 1.048 195 K CA 1.700 57.335 56.287 -1.087 0.000 0.940 195 K CB -0.216 31.538 32.500 -1.244 0.000 0.729 195 K HN 0.733 nan 8.250 nan 0.000 0.451 196 D N -0.607 119.456 120.400 -0.563 0.000 2.312 196 D HA -0.105 4.535 4.640 -0.001 0.000 0.211 196 D C 1.067 177.154 176.300 -0.355 0.000 0.964 196 D CA 1.057 54.792 54.000 -0.442 0.000 0.877 196 D CB -0.124 40.381 40.800 -0.493 0.000 0.924 196 D HN 0.494 nan 8.370 nan 0.000 0.515 197 H N -0.287 118.663 119.070 -0.200 0.000 2.575 197 H HA 0.241 4.797 4.556 -0.001 0.000 0.267 197 H C 2.135 177.431 175.328 -0.053 0.000 0.966 197 H CA -0.328 55.664 56.048 -0.094 0.000 1.165 197 H CB 0.584 30.322 29.762 -0.041 0.000 1.433 197 H HN -0.031 nan 8.280 nan 0.000 0.544 198 L N 0.568 121.802 121.223 0.019 0.000 2.013 198 L HA -0.250 4.089 4.340 -0.001 0.000 0.212 198 L C 2.329 179.223 176.870 0.040 0.000 1.073 198 L CA 1.585 56.448 54.840 0.038 0.000 0.753 198 L CB -0.188 41.880 42.059 0.015 0.000 0.890 198 L HN 0.488 nan 8.230 nan 0.000 0.432 199 D N -0.202 120.204 120.400 0.010 0.000 2.084 199 D HA -0.196 4.443 4.640 -0.001 0.000 0.196 199 D C 2.195 178.515 176.300 0.033 0.000 0.985 199 D CA 1.228 55.235 54.000 0.012 0.000 0.826 199 D CB 0.182 40.973 40.800 -0.016 0.000 0.978 199 D HN 0.167 nan 8.370 nan 0.000 0.456 200 L N 1.087 122.338 121.223 0.046 0.000 1.989 200 L HA -0.167 4.173 4.340 -0.001 0.000 0.211 200 L C 2.367 179.277 176.870 0.066 0.000 1.071 200 L CA 1.576 56.452 54.840 0.060 0.000 0.749 200 L CB -0.671 41.442 42.059 0.090 0.000 0.890 200 L HN 0.082 nan 8.230 nan 0.000 0.431 201 L N -0.875 120.392 121.223 0.073 0.000 2.179 201 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 201 L C 2.642 179.560 176.870 0.081 0.000 1.096 201 L CA 1.028 55.911 54.840 0.072 0.000 0.779 201 L CB -0.722 41.380 42.059 0.070 0.000 0.922 201 L HN 0.505 nan 8.230 nan 0.000 0.443 202 S N -0.012 115.734 115.700 0.076 0.000 2.355 202 S HA -0.191 4.278 4.470 -0.001 0.000 0.222 202 S C 1.976 176.644 174.600 0.114 0.000 1.031 202 S CA 0.809 59.058 58.200 0.082 0.000 0.993 202 S CB -0.257 62.983 63.200 0.067 0.000 0.859 202 S HN 0.301 nan 8.310 nan 0.000 0.453 203 K N 1.204 121.659 120.400 0.090 0.000 2.097 203 K HA 0.017 4.337 4.320 -0.001 0.000 0.206 203 K C 2.546 179.246 176.600 0.167 0.000 1.049 203 K CA 1.478 57.828 56.287 0.106 0.000 0.933 203 K CB -0.300 32.236 32.500 0.059 0.000 0.717 203 K HN 0.380 nan 8.250 nan 0.000 0.442 204 S N 0.786 116.566 115.700 0.134 0.000 2.345 204 S HA -0.154 4.315 4.470 -0.001 0.000 0.220 204 S C 2.147 176.858 174.600 0.184 0.000 1.031 204 S CA 1.217 59.501 58.200 0.140 0.000 0.996 204 S CB -0.306 62.958 63.200 0.107 0.000 0.882 204 S HN 0.446 nan 8.310 nan 0.000 0.445 205 A N 0.751 123.687 122.820 0.194 0.000 1.948 205 A HA -0.205 4.115 4.320 -0.001 0.000 0.220 205 A C 1.944 179.713 177.584 0.308 0.000 1.177 205 A CA 1.922 54.113 52.037 0.257 0.000 0.636 205 A CB -1.118 17.947 19.000 0.109 0.000 0.815 205 A HN 0.615 nan 8.150 nan 0.000 0.449 206 Y N 0.847 121.228 120.300 0.135 0.000 2.315 206 Y HA -0.170 4.380 4.550 -0.001 0.000 0.288 206 Y C 1.728 177.690 175.900 0.104 0.000 1.154 206 Y CA 2.115 60.285 58.100 0.116 0.000 1.229 206 Y CB -0.058 38.449 38.460 0.077 0.000 0.980 206 Y HN 0.492 nan 8.280 nan 0.000 0.540 207 E N -0.543 119.694 120.200 0.062 0.000 2.476 207 E HA 0.127 4.476 4.350 -0.001 0.000 0.196 207 E C 1.078 177.668 176.600 -0.017 0.000 1.029 207 E CA -0.019 56.360 56.400 -0.036 0.000 0.896 207 E CB 0.181 29.914 29.700 0.056 0.000 1.012 207 E HN 0.474 nan 8.360 nan 0.000 0.475 208 L N 0.532 121.780 121.223 0.041 0.000 2.640 208 L HA 0.126 4.466 4.340 -0.001 0.000 0.230 208 L C 0.004 176.733 176.870 -0.236 0.000 1.123 208 L CA -0.081 54.748 54.840 -0.020 0.000 0.900 208 L CB 0.366 42.508 42.059 0.140 0.000 1.146 208 L HN 0.022 nan 8.230 nan 0.000 0.484 209 D N -0.262 120.037 120.400 -0.169 0.000 2.846 209 D HA -0.190 4.450 4.640 -0.001 0.000 0.231 209 D C -0.354 175.752 176.300 -0.323 0.000 1.102 209 D CA 0.454 54.314 54.000 -0.233 0.000 0.744 209 D CB -1.284 39.377 40.800 -0.232 0.000 1.092 209 D HN 0.026 nan 8.370 nan 0.000 0.437 210 F N 0.182 120.074 119.950 -0.097 0.000 2.371 210 F HA 0.371 4.897 4.527 -0.001 0.000 0.329 210 F C 2.045 177.748 175.800 -0.162 0.000 1.107 210 F CA -0.717 57.210 58.000 -0.122 0.000 1.137 210 F CB 0.516 39.476 39.000 -0.067 0.000 1.214 210 F HN -0.204 nan 8.300 nan 0.000 0.536 211 N N 0.849 119.489 118.700 -0.100 0.000 2.135 211 N HA -0.066 4.674 4.740 -0.001 0.000 0.186 211 N C -0.171 175.309 175.510 -0.050 0.000 1.027 211 N CA 1.190 54.128 53.050 -0.188 0.000 0.849 211 N CB 0.009 38.163 38.487 -0.555 0.000 1.002 211 N HN 0.463 nan 8.380 nan 0.000 0.425 212 K N -0.183 120.198 120.400 -0.033 0.000 2.565 212 K HA 0.408 4.727 4.320 -0.001 0.000 0.251 212 K C -1.968 174.678 176.600 0.077 0.000 0.956 212 K CA -0.397 55.950 56.287 0.099 0.000 0.809 212 K CB 1.475 34.088 32.500 0.188 0.000 1.267 212 K HN -0.012 nan 8.250 nan 0.000 0.438 213 I N 6.155 126.724 120.570 -0.001 0.000 2.478 213 I HA 0.459 4.628 4.170 -0.001 0.000 0.287 213 I C -1.403 174.700 176.117 -0.024 0.000 1.042 213 I CA -0.905 60.297 61.300 -0.163 0.000 1.067 213 I CB 1.034 38.627 38.000 -0.678 0.000 1.233 213 I HN 0.632 nan 8.210 nan 0.000 0.431 214 I N 7.987 128.580 120.570 0.038 0.000 2.339 214 I HA 0.285 4.455 4.170 -0.001 0.000 0.290 214 I C -0.934 175.223 176.117 0.067 0.000 0.994 214 I CA -0.766 60.596 61.300 0.104 0.000 1.191 214 I CB 1.520 39.639 38.000 0.198 0.000 1.343 214 I HN 0.411 nan 8.210 nan 0.000 0.458 215 L N 7.791 129.057 121.223 0.071 0.000 2.275 215 L HA 0.472 4.811 4.340 -0.001 0.000 0.288 215 L C -0.038 176.899 176.870 0.112 0.000 1.046 215 L CA -0.478 54.409 54.840 0.079 0.000 0.805 215 L CB 1.468 43.572 42.059 0.075 0.000 1.193 215 L HN 0.390 nan 8.230 nan 0.000 0.426 216 V N 0.805 120.792 119.914 0.122 0.000 2.604 216 V HA 0.600 4.719 4.120 -0.001 0.000 0.305 216 V C -1.264 174.954 176.094 0.206 0.000 1.043 216 V CA -0.875 61.508 62.300 0.139 0.000 0.888 216 V CB 1.533 33.406 31.823 0.083 0.000 0.995 216 V HN 0.608 nan 8.190 nan 0.000 0.429 217 Y N 3.206 123.580 120.300 0.123 0.000 2.350 217 Y HA 0.855 5.405 4.550 -0.001 0.000 0.338 217 Y C 0.189 176.196 175.900 0.179 0.000 0.961 217 Y CA -0.397 57.779 58.100 0.127 0.000 1.100 217 Y CB 1.911 40.419 38.460 0.081 0.000 1.179 217 Y HN 1.090 nan 8.280 nan 0.000 0.454 218 G N 5.142 113.582 108.800 -0.599 0.000 2.461 218 G HA2 0.391 4.350 3.960 -0.001 0.000 0.323 218 G HA3 0.391 4.350 3.960 -0.001 0.000 0.323 218 G C -1.271 173.225 174.900 -0.673 0.000 1.229 218 G CA -0.880 43.954 45.100 -0.444 0.000 0.941 218 G HN 0.734 nan 8.290 nan 0.000 0.477 219 E N 2.458 122.455 120.200 -0.339 0.000 2.415 219 E HA 0.061 4.410 4.350 -0.001 0.000 0.262 219 E C -1.382 175.154 176.600 -0.107 0.000 1.038 219 E CA -1.227 55.085 56.400 -0.146 0.000 0.921 219 E CB 1.686 31.402 29.700 0.028 0.000 0.950 219 E HN 0.308 nan 8.360 nan 0.000 0.438 220 P HA 0.048 nan 4.420 nan 0.000 0.249 220 P C 0.028 177.344 177.300 0.028 0.000 1.229 220 P CA 0.391 63.485 63.100 -0.009 0.000 0.788 220 P CB 0.501 32.199 31.700 -0.004 0.000 1.072 221 G N 0.754 109.537 108.800 -0.030 0.000 2.927 221 G HA2 0.216 4.175 3.960 -0.001 0.000 0.234 221 G HA3 0.216 4.175 3.960 -0.001 0.000 0.234 221 G C -0.617 174.351 174.900 0.114 0.000 3.444 221 G CA -0.539 44.629 45.100 0.114 0.000 0.715 221 G HN 0.303 nan 8.290 nan 0.000 0.422 222 I N -2.124 118.429 120.570 -0.028 0.000 2.828 222 I HA 0.694 4.864 4.170 -0.001 0.000 0.302 222 I C -0.355 175.824 176.117 0.104 0.000 1.101 222 I CA -1.446 59.904 61.300 0.084 0.000 1.031 222 I CB 2.386 40.429 38.000 0.071 0.000 1.231 222 I HN 0.073 nan 8.210 nan 0.000 0.427 223 D N 2.780 123.291 120.400 0.185 0.000 3.032 223 D HA 0.261 4.900 4.640 -0.001 0.000 0.241 223 D C -0.286 176.084 176.300 0.117 0.000 1.196 223 D CA 0.116 54.226 54.000 0.184 0.000 0.927 223 D CB 0.007 40.929 40.800 0.204 0.000 1.129 223 D HN 0.554 nan 8.370 nan 0.000 0.458 224 E N -0.846 119.406 120.200 0.087 0.000 2.447 224 E HA 0.232 4.581 4.350 -0.001 0.000 0.279 224 E C -0.583 176.041 176.600 0.041 0.000 1.053 224 E CA -1.016 55.416 56.400 0.054 0.000 0.840 224 E CB 1.743 31.495 29.700 0.086 0.000 1.409 224 E HN -0.081 nan 8.360 nan 0.000 0.461 225 V N 1.452 121.371 119.914 0.009 0.000 2.585 225 V HA 0.026 4.146 4.120 -0.001 0.000 0.296 225 V C 0.856 177.011 176.094 0.101 0.000 1.035 225 V CA 0.163 62.473 62.300 0.018 0.000 1.084 225 V CB 0.942 32.740 31.823 -0.043 0.000 0.953 225 V HN 0.610 nan 8.190 nan 0.000 0.483 226 S N 7.253 122.986 115.700 0.056 0.000 2.516 226 S HA 0.208 4.678 4.470 -0.001 0.000 0.282 226 S C -0.969 173.684 174.600 0.088 0.000 1.286 226 S CA -0.940 57.290 58.200 0.051 0.000 1.066 226 S CB 0.846 64.035 63.200 -0.018 0.000 0.884 226 S HN 0.731 nan 8.310 nan 0.000 0.491 227 P HA 0.133 nan 4.420 nan 0.000 0.251 227 P C 1.029 178.311 177.300 -0.030 0.000 1.223 227 P CA 0.236 63.346 63.100 0.017 0.000 0.796 227 P CB -0.166 31.423 31.700 -0.185 0.000 1.068 228 I N -5.105 115.442 120.570 -0.037 0.000 3.790 228 I HA 0.493 4.662 4.170 -0.001 0.000 0.305 228 I C 0.880 176.988 176.117 -0.015 0.000 1.253 228 I CA 0.128 61.405 61.300 -0.037 0.000 1.355 228 I CB 0.329 38.297 38.000 -0.054 0.000 1.137 228 I HN -0.113 nan 8.210 nan 0.000 0.435 229 G N 0.974 109.769 108.800 -0.009 0.000 2.795 229 G HA2 0.216 4.175 3.960 -0.001 0.000 0.127 229 G HA3 0.216 4.175 3.960 -0.001 0.000 0.127 229 G C -1.417 173.465 174.900 -0.029 0.000 1.203 229 G CA -0.604 44.490 45.100 -0.011 0.000 1.145 229 G HN 0.094 nan 8.290 nan 0.000 0.580 230 N N 1.053 119.726 118.700 -0.045 0.000 2.530 230 N HA 0.462 5.201 4.740 -0.001 0.000 0.273 230 N C -0.772 174.650 175.510 -0.147 0.000 1.173 230 N CA 0.443 53.395 53.050 -0.162 0.000 0.967 230 N CB 1.352 39.660 38.487 -0.297 0.000 1.109 230 N HN 0.313 nan 8.380 nan 0.000 0.453 231 T N 2.277 116.692 114.554 -0.232 0.000 2.779 231 T HA 0.437 4.787 4.350 -0.001 0.000 0.280 231 T C -0.378 174.177 174.700 -0.241 0.000 0.987 231 T CA -0.381 61.643 62.100 -0.125 0.000 0.966 231 T CB 0.142 68.960 68.868 -0.084 0.000 0.933 231 T HN 0.151 nan 8.240 nan 0.000 0.442 232 F N 4.455 124.447 119.950 0.070 0.000 2.404 232 F HA 0.610 5.136 4.527 -0.001 0.000 0.354 232 F C 0.434 176.285 175.800 0.084 0.000 1.122 232 F CA -1.115 56.942 58.000 0.095 0.000 1.080 232 F CB 0.942 40.047 39.000 0.174 0.000 1.131 232 F HN 0.417 nan 8.300 nan 0.000 0.471 233 M N 2.640 122.335 119.600 0.157 0.000 2.550 233 M HA 0.676 5.155 4.480 -0.001 0.000 0.292 233 M C -1.784 174.586 176.300 0.118 0.000 1.221 233 M CA -0.788 54.585 55.300 0.122 0.000 0.873 233 M CB 2.805 35.438 32.600 0.055 0.000 1.727 233 M HN 0.217 nan 8.290 nan 0.000 0.459 234 K N 3.340 123.810 120.400 0.116 0.000 2.376 234 K HA 0.595 4.915 4.320 -0.001 0.000 0.257 234 K C -1.451 175.222 176.600 0.121 0.000 0.939 234 K CA -0.335 56.016 56.287 0.106 0.000 0.809 234 K CB 2.447 35.000 32.500 0.088 0.000 1.121 234 K HN 0.829 nan 8.250 nan 0.000 0.425 235 I N 3.149 123.801 120.570 0.138 0.000 2.307 235 I HA 0.192 4.362 4.170 -0.001 0.000 0.289 235 I C -0.185 176.016 176.117 0.139 0.000 1.021 235 I CA -1.050 60.351 61.300 0.167 0.000 1.224 235 I CB 1.376 39.515 38.000 0.232 0.000 1.376 235 I HN 0.054 nan 8.210 nan 0.000 0.470 236 V N 5.995 125.988 119.914 0.131 0.000 2.427 236 V HA 0.575 4.694 4.120 -0.001 0.000 0.286 236 V C 0.240 176.439 176.094 0.174 0.000 1.034 236 V CA -0.129 62.267 62.300 0.159 0.000 0.893 236 V CB 1.476 33.393 31.823 0.156 0.000 0.982 236 V HN 0.939 nan 8.190 nan 0.000 0.452 237 S N 3.813 119.644 115.700 0.218 0.000 2.776 237 S HA 0.490 4.959 4.470 -0.001 0.000 0.292 237 S C 0.403 175.141 174.600 0.228 0.000 1.187 237 S CA -0.966 57.342 58.200 0.180 0.000 0.834 237 S CB 1.679 64.957 63.200 0.130 0.000 1.199 237 S HN 0.473 nan 8.310 nan 0.000 0.514 238 K N 0.463 120.940 120.400 0.129 0.000 2.209 238 K HA 0.001 4.320 4.320 -0.001 0.000 0.204 238 K C 2.011 178.731 176.600 0.199 0.000 1.048 238 K CA 0.943 57.295 56.287 0.107 0.000 0.940 238 K CB -0.223 32.297 32.500 0.033 0.000 0.729 238 K HN 0.461 nan 8.250 nan 0.000 0.451 239 R N 0.284 120.882 120.500 0.163 0.000 2.148 239 R HA -0.033 4.307 4.340 -0.001 0.000 0.227 239 R C 1.190 177.578 176.300 0.147 0.000 1.103 239 R CA 0.830 57.011 56.100 0.135 0.000 0.983 239 R CB 0.073 30.428 30.300 0.091 0.000 0.874 239 R HN 0.324 nan 8.270 nan 0.000 0.451 240 G N 0.076 108.993 108.800 0.196 0.000 2.291 240 G HA2 0.023 3.983 3.960 -0.001 0.000 0.249 240 G HA3 0.023 3.983 3.960 -0.001 0.000 0.249 240 G C -1.449 173.465 174.900 0.023 0.000 1.340 240 G CA -0.967 44.148 45.100 0.025 0.000 1.017 240 G HN 0.017 nan 8.290 nan 0.000 0.470 241 I N 1.404 121.936 120.570 -0.064 0.000 2.382 241 I HA 0.441 4.611 4.170 -0.001 0.000 0.286 241 I C -0.209 175.920 176.117 0.020 0.000 1.002 241 I CA -0.438 60.858 61.300 -0.007 0.000 1.135 241 I CB 1.878 39.847 38.000 -0.051 0.000 1.288 241 I HN 0.595 nan 8.210 nan 0.000 0.448 242 E N 6.750 126.987 120.200 0.063 0.000 2.133 242 E HA 0.228 4.577 4.350 -0.001 0.000 0.274 242 E C -0.728 175.919 176.600 0.078 0.000 0.930 242 E CA -0.678 55.765 56.400 0.071 0.000 0.770 242 E CB 1.163 30.922 29.700 0.099 0.000 1.104 242 E HN 0.403 nan 8.360 nan 0.000 0.403 243 E N 2.500 122.737 120.200 0.061 0.000 2.338 243 E HA 0.253 4.602 4.350 -0.001 0.000 0.272 243 E C -0.687 175.952 176.600 0.064 0.000 1.029 243 E CA -0.305 56.134 56.400 0.065 0.000 0.872 243 E CB 1.780 31.512 29.700 0.054 0.000 1.015 243 E HN 0.227 nan 8.360 nan 0.000 0.417 244 V N 2.909 122.859 119.914 0.060 0.000 2.777 244 V HA 0.289 4.409 4.120 -0.001 0.000 0.306 244 V C -0.331 175.740 176.094 -0.039 0.000 1.112 244 V CA -0.865 61.451 62.300 0.027 0.000 0.917 244 V CB 2.465 34.328 31.823 0.067 0.000 1.018 244 V HN 0.499 nan 8.190 nan 0.000 0.426 245 K N 3.602 123.939 120.400 -0.104 0.000 2.345 245 K HA 0.817 5.137 4.320 -0.001 0.000 0.255 245 K C -1.995 174.452 176.600 -0.254 0.000 0.934 245 K CA -0.684 55.455 56.287 -0.247 0.000 0.801 245 K CB 2.076 34.410 32.500 -0.276 0.000 1.137 245 K HN 0.499 nan 8.250 nan 0.000 0.424 246 L N 3.150 124.179 121.223 -0.324 0.000 2.431 246 L HA 0.471 4.810 4.340 -0.001 0.000 0.266 246 L C -1.217 175.493 176.870 -0.268 0.000 0.978 246 L CA -0.390 54.260 54.840 -0.317 0.000 0.822 246 L CB 2.030 43.828 42.059 -0.436 0.000 1.310 246 L HN 0.732 nan 8.230 nan 0.000 0.409 247 N N 1.626 120.195 118.700 -0.220 0.000 2.472 247 N HA 0.327 5.066 4.740 -0.001 0.000 0.289 247 N C 0.622 176.099 175.510 -0.056 0.000 1.156 247 N CA -0.316 52.656 53.050 -0.130 0.000 0.940 247 N CB 2.017 40.440 38.487 -0.108 0.000 1.200 247 N HN 0.501 nan 8.380 nan 0.000 0.511 248 V N 1.463 121.408 119.914 0.052 0.000 2.469 248 V HA -0.216 3.903 4.120 -0.001 0.000 0.251 248 V C 1.860 178.035 176.094 0.135 0.000 1.064 248 V CA 2.712 65.130 62.300 0.197 0.000 1.066 248 V CB -1.034 30.854 31.823 0.108 0.000 0.667 248 V HN 0.999 nan 8.190 nan 0.000 0.461 249 T N -2.856 111.705 114.554 0.011 0.000 2.929 249 T HA -0.177 4.172 4.350 -0.001 0.000 0.271 249 T C 1.423 176.072 174.700 -0.085 0.000 1.085 249 T CA 1.361 63.443 62.100 -0.030 0.000 1.125 249 T CB -0.572 68.272 68.868 -0.039 0.000 0.874 249 T HN 0.543 nan 8.240 nan 0.000 0.494 250 D N 0.554 120.853 120.400 -0.168 0.000 2.371 250 D HA 0.045 4.684 4.640 -0.001 0.000 0.221 250 D C 0.810 176.868 176.300 -0.404 0.000 0.986 250 D CA 0.490 54.320 54.000 -0.284 0.000 0.899 250 D CB -0.293 40.289 40.800 -0.363 0.000 0.902 250 D HN 0.483 nan 8.370 nan 0.000 0.530 251 F N -0.011 119.842 119.950 -0.162 0.000 2.765 251 F HA 0.238 4.764 4.527 -0.001 0.000 0.302 251 F C 1.955 177.499 175.800 -0.426 0.000 1.111 251 F CA 0.238 58.062 58.000 -0.295 0.000 1.359 251 F CB 0.273 39.029 39.000 -0.407 0.000 1.097 251 F HN 0.005 nan 8.300 nan 0.000 0.577 252 G N 1.394 110.119 108.800 -0.124 0.000 2.131 252 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.223 252 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.223 252 G C 0.147 174.982 174.900 -0.108 0.000 0.990 252 G CA 0.201 45.236 45.100 -0.108 0.000 0.671 252 G HN 0.459 nan 8.290 nan 0.000 0.521 253 I N -2.792 117.712 120.570 -0.110 0.000 3.002 253 I HA 0.874 5.043 4.170 -0.001 0.000 0.310 253 I C 0.265 176.372 176.117 -0.017 0.000 1.087 253 I CA -1.277 59.984 61.300 -0.065 0.000 1.017 253 I CB 1.892 39.839 38.000 -0.088 0.000 1.226 253 I HN -0.044 nan 8.210 nan 0.000 0.443 254 S N 2.690 118.393 115.700 0.004 0.000 2.603 254 S HA 0.392 4.861 4.470 -0.001 0.000 0.268 254 S C -2.363 172.255 174.600 0.030 0.000 1.317 254 S CA -0.676 57.534 58.200 0.016 0.000 1.012 254 S CB 0.166 63.380 63.200 0.024 0.000 0.926 254 S HN 0.529 nan 8.310 nan 0.000 0.539 255 P HA 0.143 nan 4.420 nan 0.000 0.265 255 P C -0.842 176.471 177.300 0.021 0.000 1.193 255 P CA 0.209 63.318 63.100 0.014 0.000 0.765 255 P CB 0.096 31.794 31.700 -0.003 0.000 0.823 256 I N 5.794 126.370 120.570 0.009 0.000 2.365 256 I HA 0.246 4.415 4.170 -0.001 0.000 0.291 256 I C -1.845 174.198 176.117 -0.124 0.000 1.004 256 I CA -2.429 58.868 61.300 -0.006 0.000 1.311 256 I CB 0.973 38.980 38.000 0.012 0.000 1.401 256 I HN 0.196 nan 8.210 nan 0.000 0.491 257 P HA 0.133 nan 4.420 nan 0.000 0.276 257 P C 0.756 177.917 177.300 -0.232 0.000 1.235 257 P CA -0.077 62.904 63.100 -0.200 0.000 0.772 257 P CB 1.254 32.824 31.700 -0.216 0.000 0.871 258 I N 2.513 122.970 120.570 -0.189 0.000 2.423 258 I HA -0.309 3.860 4.170 -0.001 0.000 0.254 258 I C 1.672 177.681 176.117 -0.180 0.000 1.151 258 I CA 1.572 62.749 61.300 -0.205 0.000 1.421 258 I CB -0.010 37.898 38.000 -0.154 0.000 1.079 258 I HN 0.289 nan 8.210 nan 0.000 0.431 259 E N 0.771 120.880 120.200 -0.152 0.000 2.114 259 E HA -0.274 4.076 4.350 -0.001 0.000 0.199 259 E C 1.949 178.464 176.600 -0.141 0.000 1.008 259 E CA 1.302 57.625 56.400 -0.128 0.000 0.810 259 E CB -0.184 29.447 29.700 -0.116 0.000 0.739 259 E HN 0.323 nan 8.360 nan 0.000 0.456 260 K N -0.086 120.194 120.400 -0.201 0.000 2.365 260 K HA 0.018 4.338 4.320 -0.001 0.000 0.199 260 K C 1.782 178.302 176.600 -0.135 0.000 1.045 260 K CA 0.660 56.833 56.287 -0.190 0.000 0.962 260 K CB 0.111 32.397 32.500 -0.357 0.000 0.759 260 K HN 0.268 nan 8.250 nan 0.000 0.469 261 L N 0.369 121.485 121.223 -0.179 0.000 2.554 261 L HA 0.211 4.551 4.340 -0.001 0.000 0.225 261 L C 0.850 177.659 176.870 -0.102 0.000 1.104 261 L CA -0.156 54.578 54.840 -0.176 0.000 0.866 261 L CB 0.077 41.887 42.059 -0.414 0.000 1.047 261 L HN -0.043 nan 8.230 nan 0.000 0.468 262 I N 0.281 120.795 120.570 -0.093 0.000 2.575 262 I HA 0.126 4.295 4.170 -0.001 0.000 0.285 262 I C -0.258 175.837 176.117 -0.037 0.000 1.085 262 I CA 0.013 61.278 61.300 -0.058 0.000 1.403 262 I CB 1.338 39.303 38.000 -0.057 0.000 1.409 262 I HN -0.251 nan 8.210 nan 0.000 0.557 263 V N 4.720 124.620 119.914 -0.023 0.000 3.001 263 V HA 0.259 4.378 4.120 -0.001 0.000 0.314 263 V C 0.043 176.127 176.094 -0.016 0.000 1.099 263 V CA -0.632 61.656 62.300 -0.019 0.000 0.989 263 V CB 2.116 33.931 31.823 -0.013 0.000 1.040 263 V HN 0.937 nan 8.190 nan 0.000 0.434 264 N N 0.245 118.935 118.700 -0.016 0.000 2.171 264 N HA 0.212 4.952 4.740 -0.001 0.000 0.212 264 N C -0.102 175.400 175.510 -0.012 0.000 1.184 264 N CA 0.335 53.377 53.050 -0.014 0.000 0.888 264 N CB 0.790 39.269 38.487 -0.014 0.000 1.038 264 N HN 0.705 nan 8.380 nan 0.000 0.517 265 S N -2.666 113.026 115.700 -0.014 0.000 2.636 265 S HA 0.673 5.143 4.470 -0.001 0.000 0.266 265 S C 0.470 175.059 174.600 -0.018 0.000 1.147 265 S CA -0.493 57.699 58.200 -0.014 0.000 0.815 265 S CB 0.650 63.842 63.200 -0.013 0.000 1.119 265 S HN 0.080 nan 8.310 nan 0.000 0.470 266 A N 0.749 123.558 122.820 -0.018 0.000 1.877 266 A HA -0.014 4.306 4.320 -0.001 0.000 0.216 266 A C 1.970 179.535 177.584 -0.030 0.000 1.186 266 A CA 2.004 54.026 52.037 -0.026 0.000 0.620 266 A CB -1.374 17.611 19.000 -0.025 0.000 0.822 266 A HN 0.982 nan 8.150 nan 0.000 0.443 267 E N -0.288 119.897 120.200 -0.024 0.000 2.058 267 E HA -0.293 4.056 4.350 -0.001 0.000 0.194 267 E C 1.709 178.290 176.600 -0.031 0.000 0.997 267 E CA 1.598 57.983 56.400 -0.025 0.000 0.801 267 E CB -0.205 29.485 29.700 -0.018 0.000 0.746 267 E HN 0.560 nan 8.360 nan 0.000 0.450 268 D N -0.503 119.881 120.400 -0.027 0.000 2.117 268 D HA -0.142 4.497 4.640 -0.001 0.000 0.197 268 D C 1.996 178.274 176.300 -0.038 0.000 0.987 268 D CA 1.350 55.332 54.000 -0.029 0.000 0.829 268 D CB -0.318 40.468 40.800 -0.023 0.000 0.961 268 D HN 0.081 nan 8.370 nan 0.000 0.460 269 S N -1.129 114.548 115.700 -0.038 0.000 2.368 269 S HA -0.142 4.327 4.470 -0.001 0.000 0.225 269 S C 2.030 176.585 174.600 -0.076 0.000 1.030 269 S CA 1.459 59.631 58.200 -0.046 0.000 0.999 269 S CB -0.527 62.651 63.200 -0.037 0.000 0.844 269 S HN 0.408 nan 8.310 nan 0.000 0.459 270 A N 1.342 124.117 122.820 -0.074 0.000 1.877 270 A HA -0.054 4.265 4.320 -0.001 0.000 0.216 270 A C 2.083 179.602 177.584 -0.108 0.000 1.186 270 A CA 1.598 53.578 52.037 -0.094 0.000 0.620 270 A CB -0.825 18.136 19.000 -0.064 0.000 0.822 270 A HN 0.597 nan 8.150 nan 0.000 0.443 271 I N -0.390 120.134 120.570 -0.076 0.000 2.163 271 I HA -0.294 3.876 4.170 -0.001 0.000 0.243 271 I C 2.476 178.539 176.117 -0.090 0.000 1.085 271 I CA 1.506 62.764 61.300 -0.070 0.000 1.347 271 I CB -0.292 37.681 38.000 -0.044 0.000 1.044 271 I HN 0.255 nan 8.210 nan 0.000 0.408 272 K N 0.733 121.082 120.400 -0.084 0.000 2.032 272 K HA -0.176 4.143 4.320 -0.001 0.000 0.209 272 K C 2.102 178.611 176.600 -0.151 0.000 1.048 272 K CA 1.631 57.868 56.287 -0.083 0.000 0.927 272 K CB -0.447 32.021 32.500 -0.054 0.000 0.712 272 K HN 0.360 nan 8.250 nan 0.000 0.441 273 I N 0.752 121.184 120.570 -0.230 0.000 2.179 273 I HA -0.273 3.896 4.170 -0.001 0.000 0.242 273 I C 2.399 178.092 176.117 -0.706 0.000 1.088 273 I CA 1.013 62.035 61.300 -0.464 0.000 1.357 273 I CB -0.295 37.421 38.000 -0.473 0.000 1.051 273 I HN -0.115 nan 8.210 nan 0.000 0.409 274 V N 0.661 120.310 119.914 -0.442 0.000 2.343 274 V HA -0.265 3.855 4.120 -0.001 0.000 0.247 274 V C 2.541 178.564 176.094 -0.118 0.000 1.051 274 V CA 1.795 63.934 62.300 -0.268 0.000 1.036 274 V CB -0.742 31.017 31.823 -0.108 0.000 0.654 274 V HN 0.355 nan 8.190 nan 0.000 0.451 275 R N 0.086 120.525 120.500 -0.102 0.000 2.091 275 R HA -0.160 4.179 4.340 -0.001 0.000 0.238 275 R C 2.427 178.714 176.300 -0.023 0.000 1.136 275 R CA 1.522 57.597 56.100 -0.042 0.000 0.959 275 R CB -0.619 29.659 30.300 -0.036 0.000 0.856 275 R HN 0.545 nan 8.270 nan 0.000 0.437 276 A N 0.605 123.385 122.820 -0.067 0.000 1.933 276 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 276 A C 1.979 179.646 177.584 0.139 0.000 1.175 276 A CA 1.155 53.189 52.037 -0.005 0.000 0.628 276 A CB -0.718 18.252 19.000 -0.050 0.000 0.814 276 A HN 0.310 nan 8.150 nan 0.000 0.444 277 F N -0.595 119.335 119.950 -0.033 0.000 2.325 277 F HA -0.023 4.504 4.527 -0.001 0.000 0.299 277 F C 1.746 177.524 175.800 -0.037 0.000 1.090 277 F CA 0.264 58.239 58.000 -0.042 0.000 1.392 277 F CB -0.082 38.891 39.000 -0.045 0.000 1.053 277 F HN 0.118 nan 8.300 nan 0.000 0.521 278 L N -0.272 121.042 121.223 0.153 0.000 2.599 278 L HA 0.155 4.494 4.340 -0.001 0.000 0.230 278 L C 1.597 178.493 176.870 0.044 0.000 1.141 278 L CA 0.575 55.459 54.840 0.075 0.000 0.877 278 L CB -0.605 41.483 42.059 0.047 0.000 1.009 278 L HN 0.340 nan 8.230 nan 0.000 0.447 279 G N 0.596 109.424 108.800 0.046 0.000 2.147 279 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.244 279 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.244 279 G C 0.752 175.657 174.900 0.008 0.000 1.005 279 G CA 0.411 45.522 45.100 0.019 0.000 0.713 279 G HN 0.430 nan 8.290 nan 0.000 0.515 280 K N -0.424 119.982 120.400 0.010 0.000 2.358 280 K HA 0.188 4.508 4.320 -0.001 0.000 0.200 280 K C -0.063 176.538 176.600 0.001 0.000 1.030 280 K CA 0.130 56.419 56.287 0.003 0.000 1.097 280 K CB 0.678 33.181 32.500 0.004 0.000 0.862 280 K HN 0.201 nan 8.250 nan 0.000 0.534 281 D N 1.042 121.443 120.400 0.001 0.000 2.381 281 D HA 0.046 4.686 4.640 -0.001 0.000 0.245 281 D C 0.224 176.528 176.300 0.007 0.000 1.297 281 D CA 0.035 54.041 54.000 0.010 0.000 0.931 281 D CB 0.922 41.729 40.800 0.012 0.000 1.334 281 D HN -0.153 nan 8.370 nan 0.000 0.535 282 E N 0.808 120.983 120.200 -0.042 0.000 2.208 282 E HA -0.109 4.241 4.350 -0.001 0.000 0.193 282 E C 0.883 177.446 176.600 -0.062 0.000 0.988 282 E CA 0.705 57.061 56.400 -0.073 0.000 0.828 282 E CB 0.235 29.853 29.700 -0.137 0.000 0.763 282 E HN 0.659 nan 8.360 nan 0.000 0.478 283 H N -0.672 118.413 119.070 0.026 0.000 2.321 283 H HA -0.081 4.474 4.556 -0.001 0.000 0.300 283 H C 2.219 177.580 175.328 0.055 0.000 1.087 283 H CA 1.591 57.653 56.048 0.023 0.000 1.319 283 H CB 0.222 29.976 29.762 -0.013 0.000 1.379 283 H HN -0.049 nan 8.280 nan 0.000 0.501 284 V N 0.736 120.755 119.914 0.175 0.000 2.358 284 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 284 V C 2.607 178.791 176.094 0.150 0.000 1.047 284 V CA 1.512 63.911 62.300 0.165 0.000 1.035 284 V CB -0.965 30.907 31.823 0.081 0.000 0.658 284 V HN 0.569 nan 8.190 nan 0.000 0.452 285 A N -0.130 122.744 122.820 0.089 0.000 1.892 285 A HA -0.305 4.015 4.320 -0.001 0.000 0.218 285 A C 2.176 179.804 177.584 0.074 0.000 1.188 285 A CA 2.241 54.319 52.037 0.067 0.000 0.631 285 A CB -0.558 18.465 19.000 0.039 0.000 0.822 285 A HN 0.633 nan 8.150 nan 0.000 0.447 286 E N -1.687 118.586 120.200 0.122 0.000 2.110 286 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 286 E C 1.771 178.497 176.600 0.210 0.000 0.988 286 E CA 1.170 57.686 56.400 0.194 0.000 0.804 286 E CB -0.246 29.573 29.700 0.198 0.000 0.745 286 E HN 0.661 nan 8.360 nan 0.000 0.458 287 F N 1.403 121.365 119.950 0.020 0.000 2.113 287 F HA -0.141 4.385 4.527 -0.001 0.000 0.297 287 F C 1.935 177.715 175.800 -0.033 0.000 1.103 287 F CA 1.124 59.113 58.000 -0.019 0.000 1.248 287 F CB -0.379 38.616 39.000 -0.008 0.000 0.999 287 F HN -0.083 nan 8.300 nan 0.000 0.475 288 I N 0.242 120.782 120.570 -0.049 0.000 2.151 288 I HA -0.375 3.795 4.170 -0.001 0.000 0.243 288 I C 2.445 178.490 176.117 -0.119 0.000 1.080 288 I CA 1.681 62.902 61.300 -0.132 0.000 1.339 288 I CB -0.503 37.494 38.000 -0.005 0.000 1.039 288 I HN 0.106 nan 8.210 nan 0.000 0.409 289 K N 0.708 121.057 120.400 -0.085 0.000 2.097 289 K HA -0.121 4.199 4.320 -0.001 0.000 0.205 289 K C 2.121 178.654 176.600 -0.112 0.000 1.050 289 K CA 1.617 57.809 56.287 -0.159 0.000 0.938 289 K CB -0.223 32.046 32.500 -0.385 0.000 0.718 289 K HN 0.469 nan 8.250 nan 0.000 0.442 290 I N -1.025 119.466 120.570 -0.132 0.000 2.394 290 I HA -0.218 3.952 4.170 -0.001 0.000 0.251 290 I C 1.656 177.563 176.117 -0.350 0.000 1.136 290 I CA 1.426 62.410 61.300 -0.527 0.000 1.425 290 I CB -0.309 37.120 38.000 -0.951 0.000 1.079 290 I HN 0.059 nan 8.210 nan 0.000 0.425 291 N N 1.228 119.783 118.700 -0.241 0.000 2.216 291 N HA -0.096 4.643 4.740 -0.001 0.000 0.183 291 N C 1.833 177.318 175.510 -0.041 0.000 1.017 291 N CA 1.985 54.936 53.050 -0.165 0.000 0.861 291 N CB -0.213 38.106 38.487 -0.279 0.000 0.986 291 N HN 0.450 nan 8.380 nan 0.000 0.428 292 T N 1.387 115.921 114.554 -0.033 0.000 2.788 292 T HA -0.060 4.289 4.350 -0.001 0.000 0.268 292 T C 2.056 176.835 174.700 0.131 0.000 1.044 292 T CA 1.187 63.312 62.100 0.042 0.000 1.139 292 T CB -0.245 68.631 68.868 0.013 0.000 0.867 292 T HN 0.292 nan 8.240 nan 0.000 0.454 293 A N 1.055 123.970 122.820 0.158 0.000 1.908 293 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 293 A C 2.574 180.424 177.584 0.443 0.000 1.181 293 A CA 1.583 53.819 52.037 0.331 0.000 0.627 293 A CB -1.019 18.267 19.000 0.476 0.000 0.818 293 A HN 0.379 nan 8.150 nan 0.000 0.445 294 V N -0.385 119.763 119.914 0.390 0.000 2.453 294 V HA -0.168 3.951 4.120 -0.001 0.000 0.247 294 V C 3.019 179.343 176.094 0.384 0.000 1.048 294 V CA 1.670 64.241 62.300 0.453 0.000 1.049 294 V CB -1.210 30.755 31.823 0.235 0.000 0.672 294 V HN 0.619 nan 8.190 nan 0.000 0.457 295 A N 0.044 123.012 122.820 0.248 0.000 1.908 295 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 295 A C 2.125 179.828 177.584 0.199 0.000 1.181 295 A CA 1.708 53.864 52.037 0.200 0.000 0.627 295 A CB -0.580 18.503 19.000 0.138 0.000 0.818 295 A HN 0.386 nan 8.150 nan 0.000 0.445 296 L N -1.780 119.571 121.223 0.213 0.000 2.042 296 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 296 L C 2.284 179.250 176.870 0.159 0.000 1.076 296 L CA 1.764 56.708 54.840 0.172 0.000 0.749 296 L CB -1.492 40.694 42.059 0.212 0.000 0.893 296 L HN 0.524 nan 8.230 nan 0.000 0.432 297 F N 0.251 120.268 119.950 0.112 0.000 2.134 297 F HA -0.200 4.326 4.527 -0.001 0.000 0.299 297 F C 2.343 178.186 175.800 0.071 0.000 1.097 297 F CA 1.352 59.384 58.000 0.054 0.000 1.264 297 F CB -0.232 38.805 39.000 0.062 0.000 1.001 297 F HN 0.069 nan 8.300 nan 0.000 0.479 298 A N 0.122 123.095 122.820 0.255 0.000 1.972 298 A HA -0.139 4.181 4.320 -0.001 0.000 0.219 298 A C 2.181 179.820 177.584 0.091 0.000 1.169 298 A CA 1.532 53.680 52.037 0.184 0.000 0.635 298 A CB -1.119 18.027 19.000 0.244 0.000 0.810 298 A HN 0.482 nan 8.150 nan 0.000 0.446 299 L N -0.736 120.478 121.223 -0.016 0.000 2.552 299 L HA -0.058 4.281 4.340 -0.001 0.000 0.227 299 L C -0.152 176.575 176.870 -0.239 0.000 1.146 299 L CA 0.472 55.175 54.840 -0.229 0.000 0.858 299 L CB -0.414 41.526 42.059 -0.198 0.000 0.969 299 L HN 0.425 nan 8.230 nan 0.000 0.451 300 D N -0.352 119.920 120.400 -0.214 0.000 2.800 300 D HA -0.182 4.458 4.640 -0.001 0.000 0.232 300 D C 0.945 177.119 176.300 -0.211 0.000 1.137 300 D CA 0.290 54.134 54.000 -0.260 0.000 0.718 300 D CB -0.489 40.199 40.800 -0.186 0.000 1.084 300 D HN 0.318 nan 8.370 nan 0.000 0.432 301 R N -0.379 120.010 120.500 -0.185 0.000 2.237 301 R HA 0.129 4.468 4.340 -0.001 0.000 0.195 301 R C 1.067 177.245 176.300 -0.204 0.000 0.956 301 R CA 0.649 56.635 56.100 -0.190 0.000 1.029 301 R CB 0.615 30.806 30.300 -0.182 0.000 0.972 301 R HN 0.366 nan 8.270 nan 0.000 0.493 302 V N -4.561 115.272 119.914 -0.134 0.000 3.102 302 V HA 0.756 4.875 4.120 -0.001 0.000 0.312 302 V C 0.897 176.969 176.094 -0.036 0.000 1.135 302 V CA -0.671 61.588 62.300 -0.068 0.000 1.022 302 V CB 1.692 33.533 31.823 0.030 0.000 1.056 302 V HN 0.018 nan 8.190 nan 0.000 0.436 303 G N 0.877 109.682 108.800 0.007 0.000 2.744 303 G HA2 0.405 4.364 3.960 -0.001 0.000 0.211 303 G HA3 0.405 4.364 3.960 -0.001 0.000 0.211 303 G C 0.058 175.048 174.900 0.150 0.000 1.146 303 G CA 0.919 46.037 45.100 0.031 0.000 0.787 303 G HN 1.138 nan 8.290 nan 0.000 0.534 304 D N -2.556 117.911 120.400 0.111 0.000 2.692 304 D HA 0.281 4.920 4.640 -0.001 0.000 0.303 304 D C 0.271 176.474 176.300 -0.163 0.000 1.278 304 D CA -0.976 52.941 54.000 -0.138 0.000 0.852 304 D CB -0.093 40.639 40.800 -0.113 0.000 1.375 304 D HN -0.107 nan 8.370 nan 0.000 0.453 305 F N -0.177 119.716 119.950 -0.095 0.000 2.325 305 F HA 0.132 4.658 4.527 -0.001 0.000 0.299 305 F C 2.341 178.226 175.800 0.142 0.000 1.090 305 F CA 0.338 58.325 58.000 -0.021 0.000 1.392 305 F CB -0.038 38.793 39.000 -0.281 0.000 1.053 305 F HN 0.031 nan 8.300 nan 0.000 0.521 306 R N 0.349 120.966 120.500 0.196 0.000 2.075 306 R HA -0.153 4.187 4.340 -0.001 0.000 0.232 306 R C 2.003 178.471 176.300 0.281 0.000 1.126 306 R CA 1.494 57.724 56.100 0.216 0.000 0.963 306 R CB -0.636 29.718 30.300 0.090 0.000 0.858 306 R HN 0.334 nan 8.270 nan 0.000 0.435 307 E N 0.691 121.014 120.200 0.204 0.000 2.077 307 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 307 E C 2.118 178.877 176.600 0.266 0.000 0.989 307 E CA 1.253 57.772 56.400 0.199 0.000 0.800 307 E CB -0.188 29.584 29.700 0.120 0.000 0.746 307 E HN 0.430 nan 8.360 nan 0.000 0.452 308 G N 0.036 109.014 108.800 0.296 0.000 2.440 308 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.218 308 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.218 308 G C 1.382 176.495 174.900 0.356 0.000 1.154 308 G CA 1.056 46.361 45.100 0.342 0.000 0.767 308 G HN 0.418 nan 8.290 nan 0.000 0.552 309 Y N 1.348 121.825 120.300 0.295 0.000 2.200 309 Y HA -0.064 4.486 4.550 -0.001 0.000 0.290 309 Y C 2.821 178.808 175.900 0.144 0.000 1.137 309 Y CA 2.171 60.404 58.100 0.222 0.000 1.163 309 Y CB -0.057 38.591 38.460 0.314 0.000 0.988 309 Y HN 0.360 nan 8.280 nan 0.000 0.518 310 E N -1.134 119.235 120.200 0.281 0.000 2.051 310 E HA -0.281 4.068 4.350 -0.001 0.000 0.192 310 E C 1.902 178.547 176.600 0.074 0.000 0.991 310 E CA 1.563 58.047 56.400 0.141 0.000 0.799 310 E CB -0.503 29.326 29.700 0.214 0.000 0.748 310 E HN 0.577 nan 8.360 nan 0.000 0.449 311 Y N 1.039 121.391 120.300 0.085 0.000 2.224 311 Y HA -0.184 4.366 4.550 -0.001 0.000 0.289 311 Y C 2.200 178.121 175.900 0.035 0.000 1.146 311 Y CA 1.201 59.378 58.100 0.127 0.000 1.182 311 Y CB -0.364 38.164 38.460 0.114 0.000 0.983 311 Y HN 0.006 nan 8.280 nan 0.000 0.524 312 A N -0.360 122.456 122.820 -0.007 0.000 1.978 312 A HA -0.243 4.077 4.320 -0.001 0.000 0.220 312 A C 1.953 179.379 177.584 -0.264 0.000 1.170 312 A CA 1.990 53.940 52.037 -0.145 0.000 0.636 312 A CB -0.954 17.960 19.000 -0.142 0.000 0.810 312 A HN 0.546 nan 8.150 nan 0.000 0.448 313 D N -1.095 119.095 120.400 -0.350 0.000 2.123 313 D HA -0.178 4.461 4.640 -0.001 0.000 0.196 313 D C 1.773 177.866 176.300 -0.346 0.000 0.992 313 D CA 1.369 55.140 54.000 -0.382 0.000 0.833 313 D CB -0.244 40.297 40.800 -0.433 0.000 0.954 313 D HN 0.593 nan 8.370 nan 0.000 0.455 314 H N -0.419 118.512 119.070 -0.232 0.000 2.423 314 H HA 0.012 4.567 4.556 -0.001 0.000 0.297 314 H C 2.253 177.411 175.328 -0.284 0.000 1.075 314 H CA 0.695 56.594 56.048 -0.249 0.000 1.342 314 H CB -0.076 29.502 29.762 -0.307 0.000 1.395 314 H HN 0.271 nan 8.280 nan 0.000 0.530 315 L N -0.002 121.082 121.223 -0.232 0.000 2.109 315 L HA -0.078 4.262 4.340 -0.001 0.000 0.207 315 L C 2.622 179.351 176.870 -0.235 0.000 1.086 315 L CA 0.630 55.328 54.840 -0.237 0.000 0.760 315 L CB -0.247 41.673 42.059 -0.232 0.000 0.910 315 L HN 0.138 nan 8.230 nan 0.000 0.437 316 I N 0.226 120.666 120.570 -0.215 0.000 2.286 316 I HA -0.284 3.885 4.170 -0.001 0.000 0.248 316 I C 2.299 178.278 176.117 -0.229 0.000 1.115 316 I CA 1.421 62.590 61.300 -0.219 0.000 1.392 316 I CB 0.065 38.011 38.000 -0.090 0.000 1.065 316 I HN 0.318 nan 8.210 nan 0.000 0.418 317 E N 0.373 120.476 120.200 -0.161 0.000 2.268 317 E HA -0.226 4.123 4.350 -0.001 0.000 0.195 317 E C 1.466 177.981 176.600 -0.140 0.000 0.995 317 E CA 0.901 57.231 56.400 -0.117 0.000 0.836 317 E CB 0.078 29.734 29.700 -0.074 0.000 0.763 317 E HN 0.514 nan 8.360 nan 0.000 0.491 318 K N -0.326 119.963 120.400 -0.185 0.000 2.358 318 K HA 0.182 4.501 4.320 -0.001 0.000 0.197 318 K C 1.676 178.118 176.600 -0.264 0.000 1.025 318 K CA -0.067 56.114 56.287 -0.178 0.000 1.104 318 K CB 0.744 33.158 32.500 -0.144 0.000 0.855 318 K HN -0.139 nan 8.250 nan 0.000 0.531 319 S N 1.161 116.588 115.700 -0.455 0.000 2.414 319 S HA -0.044 4.426 4.470 -0.001 0.000 0.227 319 S C 1.604 175.825 174.600 -0.632 0.000 1.022 319 S CA 0.543 58.303 58.200 -0.734 0.000 0.958 319 S CB -0.025 62.328 63.200 -1.412 0.000 0.797 319 S HN 0.205 nan 8.310 nan 0.000 0.493 320 L N 2.431 123.401 121.223 -0.423 0.000 2.046 320 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 320 L C 1.489 178.329 176.870 -0.051 0.000 1.077 320 L CA 1.881 56.693 54.840 -0.046 0.000 0.747 320 L CB -0.841 41.268 42.059 0.083 0.000 0.896 320 L HN 0.078 nan 8.230 nan 0.000 0.432 321 D N -0.424 119.925 120.400 -0.085 0.000 2.117 321 D HA -0.206 4.433 4.640 -0.001 0.000 0.197 321 D C 2.141 178.403 176.300 -0.063 0.000 0.987 321 D CA 1.159 55.124 54.000 -0.059 0.000 0.829 321 D CB 0.006 40.770 40.800 -0.060 0.000 0.961 321 D HN 0.188 nan 8.370 nan 0.000 0.460 322 K N 0.614 120.950 120.400 -0.105 0.000 2.097 322 K HA -0.085 4.235 4.320 -0.001 0.000 0.205 322 K C 1.906 178.462 176.600 -0.074 0.000 1.050 322 K CA 0.481 56.713 56.287 -0.091 0.000 0.938 322 K CB -0.611 31.810 32.500 -0.131 0.000 0.718 322 K HN 0.053 nan 8.250 nan 0.000 0.442 323 L N 1.612 122.786 121.223 -0.082 0.000 2.017 323 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 323 L C 1.969 178.841 176.870 0.004 0.000 1.073 323 L CA 1.930 56.749 54.840 -0.034 0.000 0.745 323 L CB -1.127 40.969 42.059 0.061 0.000 0.894 323 L HN 0.418 nan 8.230 nan 0.000 0.432 324 N N 0.155 118.861 118.700 0.009 0.000 2.094 324 N HA -0.284 4.455 4.740 -0.001 0.000 0.191 324 N C 1.760 177.282 175.510 0.020 0.000 1.023 324 N CA 1.879 54.940 53.050 0.018 0.000 0.857 324 N CB -0.013 38.481 38.487 0.011 0.000 1.013 324 N HN 0.770 nan 8.380 nan 0.000 0.426 325 E N 0.160 120.367 120.200 0.012 0.000 2.152 325 E HA -0.095 4.254 4.350 -0.001 0.000 0.192 325 E C 2.161 178.791 176.600 0.050 0.000 0.983 325 E CA 0.756 57.170 56.400 0.024 0.000 0.818 325 E CB -0.295 29.415 29.700 0.016 0.000 0.758 325 E HN 0.410 nan 8.360 nan 0.000 0.467 326 I N 0.750 121.355 120.570 0.060 0.000 2.202 326 I HA -0.201 3.968 4.170 -0.001 0.000 0.242 326 I C 2.377 178.589 176.117 0.158 0.000 1.091 326 I CA 1.045 62.423 61.300 0.131 0.000 1.368 326 I CB -0.072 37.979 38.000 0.084 0.000 1.058 326 I HN 0.139 nan 8.210 nan 0.000 0.410 327 I N 0.265 120.908 120.570 0.122 0.000 2.439 327 I HA -0.247 3.923 4.170 -0.001 0.000 0.251 327 I C 2.697 178.839 176.117 0.041 0.000 1.139 327 I CA 1.382 62.746 61.300 0.107 0.000 1.438 327 I CB -0.243 37.817 38.000 0.099 0.000 1.085 327 I HN 0.281 nan 8.210 nan 0.000 0.427 328 S N 0.479 116.201 115.700 0.036 0.000 2.402 328 S HA -0.214 4.256 4.470 -0.001 0.000 0.229 328 S C 1.999 176.606 174.600 0.012 0.000 1.021 328 S CA 1.032 59.243 58.200 0.019 0.000 0.974 328 S CB -0.399 62.812 63.200 0.018 0.000 0.800 328 S HN 0.354 nan 8.310 nan 0.000 0.484 329 M N 1.564 121.178 119.600 0.024 0.000 2.288 329 M HA 0.256 4.736 4.480 -0.001 0.000 0.266 329 M C 0.418 176.710 176.300 -0.013 0.000 1.072 329 M CA 1.002 56.313 55.300 0.019 0.000 1.132 329 M CB -0.098 32.530 32.600 0.047 0.000 1.386 329 M HN 0.414 nan 8.290 nan 0.000 0.432 330 N N 0.615 119.285 118.700 -0.050 0.000 2.726 330 N HA 0.492 5.231 4.740 -0.001 0.000 0.253 330 N C -0.830 174.515 175.510 -0.274 0.000 1.530 330 N CA 0.362 53.303 53.050 -0.181 0.000 0.772 330 N CB 0.587 38.912 38.487 -0.271 0.000 1.220 330 N HN 0.355 nan 8.380 nan 0.000 0.508 331 G N 0.366 109.085 108.800 -0.135 0.000 2.351 331 G HA2 0.118 4.078 3.960 -0.001 0.000 0.279 331 G HA3 0.118 4.078 3.960 -0.001 0.000 0.279 331 G C -2.132 172.751 174.900 -0.029 0.000 1.297 331 G CA -0.783 44.264 45.100 -0.089 0.000 0.886 331 G HN 0.218 nan 8.290 nan 0.000 0.493 332 D N 0.557 120.955 120.400 -0.004 0.000 2.464 332 D HA 0.421 5.061 4.640 -0.001 0.000 0.243 332 D C 1.877 178.186 176.300 0.015 0.000 1.104 332 D CA 0.131 54.134 54.000 0.005 0.000 0.883 332 D CB 1.167 41.972 40.800 0.008 0.000 1.050 332 D HN 0.889 nan 8.370 nan 0.000 0.524 333 V N 2.123 122.045 119.914 0.013 0.000 2.568 333 V HA -0.212 3.908 4.120 -0.001 0.000 0.253 333 V C 1.983 178.087 176.094 0.016 0.000 1.072 333 V CA 2.312 64.622 62.300 0.017 0.000 1.084 333 V CB -1.718 30.113 31.823 0.014 0.000 0.676 333 V HN 0.647 nan 8.190 nan 0.000 0.469 334 T N -1.915 112.647 114.554 0.012 0.000 2.962 334 T HA -0.124 4.226 4.350 -0.001 0.000 0.270 334 T C 1.763 176.469 174.700 0.011 0.000 1.088 334 T CA 1.578 63.684 62.100 0.010 0.000 1.127 334 T CB -0.443 68.430 68.868 0.008 0.000 0.883 334 T HN 0.608 nan 8.240 nan 0.000 0.493 335 K N 0.213 120.621 120.400 0.014 0.000 2.116 335 K HA 0.195 4.514 4.320 -0.001 0.000 0.203 335 K C 2.119 178.728 176.600 0.014 0.000 1.052 335 K CA 0.754 57.049 56.287 0.014 0.000 0.952 335 K CB -0.333 32.179 32.500 0.019 0.000 0.729 335 K HN 0.175 nan 8.250 nan 0.000 0.446 336 L N 2.619 123.854 121.223 0.020 0.000 2.042 336 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 336 L C 2.250 179.129 176.870 0.016 0.000 1.076 336 L CA 1.848 56.701 54.840 0.020 0.000 0.749 336 L CB -0.479 41.598 42.059 0.030 0.000 0.893 336 L HN 0.076 nan 8.230 nan 0.000 0.432 337 K N -1.419 118.990 120.400 0.014 0.000 2.148 337 K HA -0.133 4.186 4.320 -0.001 0.000 0.204 337 K C 1.694 178.299 176.600 0.008 0.000 1.050 337 K CA 1.870 58.164 56.287 0.011 0.000 0.942 337 K CB -0.679 31.828 32.500 0.010 0.000 0.724 337 K HN 0.363 nan 8.250 nan 0.000 0.446 338 T N 2.391 116.948 114.554 0.006 0.000 2.746 338 T HA -0.053 4.296 4.350 -0.001 0.000 0.267 338 T C 1.955 176.655 174.700 -0.000 0.000 1.039 338 T CA 1.191 63.293 62.100 0.003 0.000 1.142 338 T CB -0.029 68.840 68.868 0.003 0.000 0.866 338 T HN 0.112 nan 8.240 nan 0.000 0.444 339 I N 1.129 121.698 120.570 -0.002 0.000 2.226 339 I HA -0.091 4.078 4.170 -0.001 0.000 0.245 339 I C 2.526 178.638 176.117 -0.008 0.000 1.100 339 I CA 0.945 62.239 61.300 -0.009 0.000 1.374 339 I CB -1.421 36.570 38.000 -0.016 0.000 1.057 339 I HN 0.125 nan 8.210 nan 0.000 0.413 340 V N 0.531 120.446 119.914 0.001 0.000 2.295 340 V HA -0.228 3.891 4.120 -0.001 0.000 0.246 340 V C 2.701 178.797 176.094 0.003 0.000 1.049 340 V CA 1.271 63.575 62.300 0.006 0.000 1.024 340 V CB -0.494 31.338 31.823 0.016 0.000 0.648 340 V HN 0.175 nan 8.190 nan 0.000 0.447 341 V N -0.150 119.765 119.914 0.003 0.000 2.287 341 V HA -0.310 3.810 4.120 -0.001 0.000 0.248 341 V C 2.378 178.471 176.094 -0.001 0.000 1.053 341 V CA 2.169 64.470 62.300 0.001 0.000 1.027 341 V CB -0.702 31.122 31.823 0.002 0.000 0.646 341 V HN 0.551 nan 8.190 nan 0.000 0.447 342 K N -0.249 120.149 120.400 -0.004 0.000 2.362 342 K HA -0.047 4.273 4.320 -0.001 0.000 0.200 342 K C 2.076 178.670 176.600 -0.010 0.000 1.046 342 K CA 1.255 57.538 56.287 -0.007 0.000 0.952 342 K CB -0.126 32.369 32.500 -0.010 0.000 0.753 342 K HN 0.365 nan 8.250 nan 0.000 0.466 343 S N 0.228 115.922 115.700 -0.010 0.000 2.548 343 S HA 0.091 4.560 4.470 -0.001 0.000 0.215 343 S C 0.529 175.126 174.600 -0.005 0.000 0.976 343 S CA -0.073 58.119 58.200 -0.013 0.000 0.908 343 S CB 0.371 63.559 63.200 -0.019 0.000 0.781 343 S HN 0.105 nan 8.310 nan 0.000 0.519 344 S N 0.000 115.699 115.700 -0.002 0.000 2.498 344 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 344 S CA 0.000 58.201 58.200 0.001 0.000 1.107 344 S CB 0.000 63.202 63.200 0.004 0.000 0.593 344 S HN 0.000 nan 8.310 nan 0.000 0.517