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 2p2g_1_F DATA FIRST_RESID 1 DATA SEQUENCE VIRHFLRDDD LSPAEQAEVL ELAAELKKDP VSRRPLQGPR GVAVIFDKNS DATA SEQUENCE TRTRFSFELG IAQLGGHAVV VDSGSTQLGR DETLQDTAKV LSRYVDAIVW DATA SEQUENCE RTFGQERLDA MASVATVPVI NALSDEFHPC QVLADLQTIA ERKGALRGLR DATA SEQUENCE LSYFGDGANN MAHSLLLGGV TAGIHVTVAA PEGFLPDPSV RAAAERRAQD DATA SEQUENCE TGASVTVTAD AHAAAAGADV LVTDTWXXXX XXXXXXXXVK PFRPFQLNSR DATA SEQUENCE LLALADSDAI VLHCLPAHRG DEITDAVMDG PASAVWDEAE NRLHAQKALL DATA SEQUENCE VWLLERS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.053 176.094 -0.069 0.000 1.182 1 V CA 0.000 62.272 62.300 -0.047 0.000 1.235 1 V CB 0.000 31.808 31.823 -0.025 0.000 1.184 2 I N 2.352 122.862 120.570 -0.101 0.000 3.539 2 I HA -0.232 3.938 4.170 0.000 0.000 0.126 2 I C 0.623 176.550 176.117 -0.316 0.000 0.980 2 I CA 0.846 62.030 61.300 -0.194 0.000 2.747 2 I CB -0.338 37.562 38.000 -0.167 0.000 1.156 2 I HN 0.485 nan 8.210 nan 0.000 0.344 3 R N 6.106 126.448 120.500 -0.263 0.000 2.297 3 R HA 0.523 4.863 4.340 0.000 0.000 0.308 3 R C 0.110 176.271 176.300 -0.230 0.000 1.029 3 R CA -0.557 55.439 56.100 -0.174 0.000 0.929 3 R CB 0.946 31.259 30.300 0.023 0.000 1.046 3 R HN 0.507 nan 8.270 nan 0.000 0.461 4 H N 1.105 120.278 119.070 0.171 0.000 2.693 4 H HA 0.400 4.956 4.556 0.000 0.000 0.348 4 H C -0.745 174.764 175.328 0.303 0.000 1.222 4 H CA -0.649 55.516 56.048 0.194 0.000 1.270 4 H CB 1.638 31.480 29.762 0.133 0.000 1.798 4 H HN 0.323 nan 8.280 nan 0.000 0.592 5 F N 2.055 122.137 119.950 0.220 0.000 2.809 5 F HA 0.252 4.779 4.527 0.000 0.000 0.369 5 F C -0.211 175.637 175.800 0.080 0.000 1.225 5 F CA -0.403 57.668 58.000 0.119 0.000 1.201 5 F CB -0.166 38.903 39.000 0.114 0.000 1.527 5 F HN 0.313 nan 8.300 nan 0.000 0.565 6 L N 2.914 124.041 121.223 -0.160 0.000 2.388 6 L HA 0.324 4.664 4.340 0.000 0.000 0.209 6 L C 0.666 177.307 176.870 -0.383 0.000 1.061 6 L CA 0.190 54.917 54.840 -0.189 0.000 0.834 6 L CB -0.070 41.932 42.059 -0.094 0.000 1.029 6 L HN 0.287 nan 8.230 nan 0.000 0.473 7 R N -1.075 119.070 120.500 -0.591 0.000 2.855 7 R HA 0.374 4.714 4.340 0.000 0.000 0.266 7 R C -0.583 175.255 176.300 -0.771 0.000 1.034 7 R CA -0.779 54.798 56.100 -0.871 0.000 0.944 7 R CB 0.798 30.342 30.300 -1.258 0.000 1.219 7 R HN -0.275 nan 8.270 nan 0.000 0.474 8 D N 0.448 120.481 120.400 -0.611 0.000 2.178 8 D HA -0.140 4.500 4.640 0.000 0.000 0.202 8 D C 0.587 176.803 176.300 -0.141 0.000 0.974 8 D CA 1.600 55.411 54.000 -0.314 0.000 0.841 8 D CB -0.057 40.654 40.800 -0.149 0.000 0.953 8 D HN 0.654 nan 8.370 nan 0.000 0.478 9 D N -0.324 119.957 120.400 -0.199 0.000 2.340 9 D HA -0.070 4.570 4.640 0.000 0.000 0.220 9 D C 0.868 177.136 176.300 -0.054 0.000 1.039 9 D CA 0.162 54.100 54.000 -0.103 0.000 0.866 9 D CB -0.159 40.569 40.800 -0.119 0.000 0.913 9 D HN -0.034 nan 8.370 nan 0.000 0.523 10 D N 0.367 120.736 120.400 -0.052 0.000 2.218 10 D HA -0.022 4.618 4.640 0.000 0.000 0.204 10 D C 0.646 177.018 176.300 0.119 0.000 0.976 10 D CA 0.579 54.609 54.000 0.050 0.000 0.853 10 D CB 0.141 40.998 40.800 0.096 0.000 0.939 10 D HN 0.330 nan 8.370 nan 0.000 0.481 11 L N 0.597 121.896 121.223 0.126 0.000 2.375 11 L HA 0.201 4.541 4.340 0.000 0.000 0.271 11 L C 1.019 177.889 176.870 -0.000 0.000 1.107 11 L CA -0.642 54.208 54.840 0.017 0.000 0.806 11 L CB 1.451 43.440 42.059 -0.117 0.000 1.146 11 L HN -0.111 nan 8.230 nan 0.000 0.447 12 S N 1.585 117.284 115.700 -0.002 0.000 2.645 12 S HA 0.353 4.823 4.470 0.000 0.000 0.266 12 S C -1.945 172.640 174.600 -0.026 0.000 1.258 12 S CA -1.129 57.071 58.200 0.001 0.000 0.990 12 S CB 1.305 64.522 63.200 0.028 0.000 0.967 12 S HN 0.385 nan 8.310 nan 0.000 0.556 13 P HA -0.092 nan 4.420 nan 0.000 0.215 13 P C 1.584 178.864 177.300 -0.033 0.000 1.157 13 P CA 2.212 65.294 63.100 -0.030 0.000 0.874 13 P CB -0.306 31.381 31.700 -0.021 0.000 0.790 14 A N -0.526 122.287 122.820 -0.012 0.000 2.019 14 A HA -0.224 4.096 4.320 0.000 0.000 0.219 14 A C 2.110 179.688 177.584 -0.010 0.000 1.164 14 A CA 1.640 53.677 52.037 -0.000 0.000 0.644 14 A CB -1.093 17.923 19.000 0.026 0.000 0.805 14 A HN 0.207 nan 8.150 nan 0.000 0.449 15 E N -0.974 119.208 120.200 -0.031 0.000 2.076 15 E HA -0.179 4.171 4.350 0.000 0.000 0.190 15 E C 2.212 178.608 176.600 -0.341 0.000 0.979 15 E CA 0.954 57.285 56.400 -0.115 0.000 0.807 15 E CB -0.137 29.511 29.700 -0.087 0.000 0.761 15 E HN 0.773 nan 8.360 nan 0.000 0.454 16 Q N 0.439 120.091 119.800 -0.247 0.000 2.124 16 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 16 Q C 2.033 177.911 176.000 -0.203 0.000 0.977 16 Q CA 1.344 56.997 55.803 -0.250 0.000 0.850 16 Q CB -0.057 28.599 28.738 -0.136 0.000 0.901 16 Q HN 0.234 nan 8.270 nan 0.000 0.429 17 A N 0.436 123.177 122.820 -0.131 0.000 1.969 17 A HA -0.174 4.146 4.320 0.000 0.000 0.218 17 A C 1.710 179.247 177.584 -0.079 0.000 1.169 17 A CA 1.340 53.327 52.037 -0.084 0.000 0.635 17 A CB -0.312 18.661 19.000 -0.045 0.000 0.810 17 A HN 0.472 nan 8.150 nan 0.000 0.445 18 E N -0.438 119.708 120.200 -0.090 0.000 2.107 18 E HA -0.089 4.261 4.350 0.000 0.000 0.191 18 E C 1.924 178.467 176.600 -0.094 0.000 0.982 18 E CA 1.150 57.536 56.400 -0.024 0.000 0.809 18 E CB -0.101 29.680 29.700 0.135 0.000 0.756 18 E HN 0.410 nan 8.360 nan 0.000 0.459 19 V N 1.241 120.966 119.914 -0.315 0.000 2.427 19 V HA -0.226 3.894 4.120 0.000 0.000 0.248 19 V C 2.224 178.224 176.094 -0.157 0.000 1.051 19 V CA 1.301 63.412 62.300 -0.314 0.000 1.048 19 V CB -0.366 31.134 31.823 -0.539 0.000 0.666 19 V HN 0.256 nan 8.190 nan 0.000 0.456 20 L N -0.124 121.017 121.223 -0.138 0.000 2.093 20 L HA -0.156 4.184 4.340 0.000 0.000 0.208 20 L C 2.604 179.447 176.870 -0.046 0.000 1.085 20 L CA 1.785 56.577 54.840 -0.080 0.000 0.755 20 L CB -0.529 41.487 42.059 -0.072 0.000 0.904 20 L HN 0.410 nan 8.230 nan 0.000 0.435 21 E N 0.514 120.691 120.200 -0.038 0.000 2.051 21 E HA -0.274 4.076 4.350 0.000 0.000 0.192 21 E C 2.238 178.835 176.600 -0.006 0.000 0.991 21 E CA 1.217 57.608 56.400 -0.016 0.000 0.799 21 E CB -0.026 29.672 29.700 -0.004 0.000 0.748 21 E HN 0.244 nan 8.360 nan 0.000 0.449 22 L N 1.136 122.362 121.223 0.005 0.000 2.042 22 L HA -0.145 4.195 4.340 0.000 0.000 0.210 22 L C 2.307 179.184 176.870 0.012 0.000 1.076 22 L CA 2.247 57.102 54.840 0.025 0.000 0.749 22 L CB -0.960 41.136 42.059 0.062 0.000 0.893 22 L HN 0.207 nan 8.230 nan 0.000 0.432 23 A N -0.642 122.177 122.820 -0.002 0.000 1.908 23 A HA -0.168 4.152 4.320 0.000 0.000 0.218 23 A C 2.453 180.033 177.584 -0.007 0.000 1.181 23 A CA 2.043 54.087 52.037 0.012 0.000 0.627 23 A CB -1.157 17.845 19.000 0.004 0.000 0.818 23 A HN 0.575 nan 8.150 nan 0.000 0.445 24 A N -0.322 122.483 122.820 -0.024 0.000 1.930 24 A HA -0.151 4.169 4.320 0.000 0.000 0.217 24 A C 1.893 179.441 177.584 -0.060 0.000 1.175 24 A CA 1.620 53.628 52.037 -0.048 0.000 0.627 24 A CB -0.489 18.491 19.000 -0.033 0.000 0.815 24 A HN 0.648 nan 8.150 nan 0.000 0.443 25 E N -0.242 119.938 120.200 -0.033 0.000 2.150 25 E HA -0.085 4.265 4.350 0.000 0.000 0.193 25 E C 1.836 178.415 176.600 -0.036 0.000 0.985 25 E CA 0.943 57.326 56.400 -0.028 0.000 0.814 25 E CB -0.209 29.487 29.700 -0.005 0.000 0.752 25 E HN 0.624 nan 8.360 nan 0.000 0.466 26 L N 0.748 121.953 121.223 -0.030 0.000 2.131 26 L HA -0.092 4.248 4.340 0.000 0.000 0.206 26 L C 2.537 179.353 176.870 -0.090 0.000 1.087 26 L CA 0.806 55.638 54.840 -0.013 0.000 0.767 26 L CB -0.227 41.860 42.059 0.046 0.000 0.917 26 L HN 0.025 nan 8.230 nan 0.000 0.441 27 K N 1.044 121.279 120.400 -0.274 0.000 2.103 27 K HA -0.266 4.054 4.320 0.000 0.000 0.207 27 K C 2.202 178.611 176.600 -0.318 0.000 1.048 27 K CA 1.707 57.576 56.287 -0.696 0.000 0.930 27 K CB 0.050 32.100 32.500 -0.751 0.000 0.716 27 K HN 0.107 nan 8.250 nan 0.000 0.444 28 K N -0.050 120.247 120.400 -0.172 0.000 2.062 28 K HA -0.076 4.244 4.320 0.000 0.000 0.205 28 K C -0.288 176.279 176.600 -0.055 0.000 1.051 28 K CA 1.491 57.722 56.287 -0.093 0.000 0.941 28 K CB 0.363 32.825 32.500 -0.064 0.000 0.719 28 K HN 0.096 nan 8.250 nan 0.000 0.440 29 D N 0.920 121.296 120.400 -0.040 0.000 2.441 29 D HA 0.134 4.774 4.640 0.000 0.000 0.287 29 D C -2.226 174.078 176.300 0.006 0.000 1.198 29 D CA -1.499 52.494 54.000 -0.012 0.000 0.894 29 D CB 1.646 42.443 40.800 -0.005 0.000 1.070 29 D HN 0.054 nan 8.370 nan 0.000 0.499 30 P HA -0.140 nan 4.420 nan 0.000 0.218 30 P C 1.303 178.633 177.300 0.051 0.000 1.146 30 P CA 0.897 64.030 63.100 0.054 0.000 0.813 30 P CB 0.317 32.059 31.700 0.071 0.000 0.778 31 V N -4.316 115.620 119.914 0.037 0.000 2.915 31 V HA 0.314 4.434 4.120 0.000 0.000 0.364 31 V C 1.188 177.299 176.094 0.028 0.000 1.354 31 V CA 0.411 62.732 62.300 0.036 0.000 1.213 31 V CB -0.448 31.396 31.823 0.034 0.000 1.268 31 V HN 0.060 nan 8.190 nan 0.000 0.557 32 S N -0.528 115.187 115.700 0.026 0.000 2.502 32 S HA 0.349 4.819 4.470 0.000 0.000 0.215 32 S C 0.873 175.486 174.600 0.021 0.000 1.009 32 S CA -0.405 57.807 58.200 0.020 0.000 0.908 32 S CB 0.167 63.376 63.200 0.014 0.000 0.801 32 S HN 0.549 nan 8.310 nan 0.000 0.505 33 R N 1.555 122.071 120.500 0.027 0.000 2.407 33 R HA 0.518 4.858 4.340 0.000 0.000 0.303 33 R C -0.294 176.024 176.300 0.031 0.000 0.981 33 R CA -0.341 55.775 56.100 0.027 0.000 0.905 33 R CB 0.606 30.925 30.300 0.033 0.000 1.099 33 R HN 0.177 nan 8.270 nan 0.000 0.459 34 R N 2.381 122.897 120.500 0.026 0.000 2.647 34 R HA 0.179 4.519 4.340 0.000 0.000 0.295 34 R C -1.924 174.391 176.300 0.026 0.000 1.267 34 R CA -1.204 54.913 56.100 0.028 0.000 1.386 34 R CB 1.316 31.631 30.300 0.025 0.000 1.309 34 R HN 0.422 nan 8.270 nan 0.000 0.692 35 P HA -0.040 nan 4.420 nan 0.000 0.226 35 P C 0.750 178.065 177.300 0.025 0.000 1.153 35 P CA 0.737 63.849 63.100 0.020 0.000 0.777 35 P CB 0.434 32.146 31.700 0.020 0.000 0.794 36 L N -0.984 120.259 121.223 0.034 0.000 2.872 36 L HA 0.269 4.609 4.340 0.000 0.000 0.245 36 L C 0.938 177.832 176.870 0.040 0.000 1.211 36 L CA -0.499 54.365 54.840 0.040 0.000 1.013 36 L CB -0.324 41.766 42.059 0.052 0.000 1.326 36 L HN -0.108 nan 8.230 nan 0.000 0.525 37 Q N 0.663 120.483 119.800 0.032 0.000 2.304 37 Q HA 0.290 4.630 4.340 0.000 0.000 0.301 37 Q C 0.827 176.843 176.000 0.027 0.000 1.063 37 Q CA 1.549 57.369 55.803 0.029 0.000 0.947 37 Q CB 0.813 29.564 28.738 0.022 0.000 1.201 37 Q HN 0.347 nan 8.270 nan 0.000 0.389 38 G N 3.261 112.078 108.800 0.027 0.000 4.314 38 G HA2 0.015 3.975 3.960 0.000 0.000 0.131 38 G HA3 0.015 3.975 3.960 0.000 0.000 0.131 38 G C -2.134 172.776 174.900 0.018 0.000 1.870 38 G CA -0.077 45.036 45.100 0.022 0.000 0.933 38 G HN 0.706 nan 8.290 nan 0.000 0.294 39 P HA 0.601 nan 4.420 nan 0.000 0.280 39 P C -0.578 176.752 177.300 0.049 0.000 1.244 39 P CA -0.299 62.831 63.100 0.051 0.000 0.784 39 P CB 1.118 32.870 31.700 0.086 0.000 0.913 40 R N 0.878 121.411 120.500 0.055 0.000 2.560 40 R HA 0.517 4.857 4.340 0.000 0.000 0.270 40 R C 0.815 177.162 176.300 0.078 0.000 1.074 40 R CA -0.338 55.795 56.100 0.056 0.000 1.140 40 R CB 0.406 30.734 30.300 0.047 0.000 1.073 40 R HN 0.684 nan 8.270 nan 0.000 0.527 41 G N -0.183 108.664 108.800 0.079 0.000 2.476 41 G HA2 0.471 4.431 3.960 0.000 0.000 0.286 41 G HA3 0.471 4.431 3.960 0.000 0.000 0.286 41 G C -0.891 174.050 174.900 0.069 0.000 1.177 41 G CA -0.408 44.748 45.100 0.093 0.000 0.870 41 G HN 0.261 nan 8.290 nan 0.000 0.528 42 V N 0.278 120.225 119.914 0.055 0.000 2.686 42 V HA 0.649 4.769 4.120 0.000 0.000 0.306 42 V C 0.301 176.390 176.094 -0.010 0.000 1.065 42 V CA -0.964 61.350 62.300 0.023 0.000 0.894 42 V CB 1.564 33.401 31.823 0.024 0.000 1.004 42 V HN 1.152 nan 8.190 nan 0.000 0.424 43 A N 3.975 126.773 122.820 -0.037 0.000 2.366 43 A HA 0.747 5.067 4.320 0.000 0.000 0.272 43 A C -0.483 177.011 177.584 -0.150 0.000 1.135 43 A CA -0.292 51.697 52.037 -0.080 0.000 0.804 43 A CB 0.652 19.594 19.000 -0.098 0.000 1.064 43 A HN 0.885 nan 8.150 nan 0.000 0.499 44 V N 4.444 124.262 119.914 -0.161 0.000 2.409 44 V HA 0.423 4.543 4.120 0.000 0.000 0.290 44 V C -0.529 175.390 176.094 -0.293 0.000 1.017 44 V CA -0.003 62.134 62.300 -0.272 0.000 0.841 44 V CB 0.772 32.487 31.823 -0.179 0.000 1.003 44 V HN 0.741 nan 8.190 nan 0.000 0.426 45 I N 5.130 125.448 120.570 -0.420 0.000 2.478 45 I HA 0.521 4.691 4.170 0.000 0.000 0.287 45 I C -1.227 174.747 176.117 -0.238 0.000 1.042 45 I CA -0.241 60.911 61.300 -0.247 0.000 1.067 45 I CB 2.053 39.889 38.000 -0.273 0.000 1.233 45 I HN 0.397 nan 8.210 nan 0.000 0.431 46 F N 4.445 124.447 119.950 0.087 0.000 2.426 46 F HA 0.330 4.857 4.527 0.000 0.000 0.348 46 F C 1.099 176.944 175.800 0.076 0.000 1.124 46 F CA -0.534 57.510 58.000 0.074 0.000 1.008 46 F CB 1.216 40.236 39.000 0.034 0.000 1.139 46 F HN 0.423 nan 8.300 nan 0.000 0.452 47 D N 1.116 121.625 120.400 0.182 0.000 2.249 47 D HA -0.033 4.607 4.640 0.000 0.000 0.205 47 D C 0.570 176.930 176.300 0.099 0.000 0.962 47 D CA 1.214 55.277 54.000 0.105 0.000 0.860 47 D CB 0.294 41.041 40.800 -0.089 0.000 0.955 47 D HN 0.217 nan 8.370 nan 0.000 0.505 48 K N 0.320 120.738 120.400 0.030 0.000 2.468 48 K HA 0.278 4.598 4.320 0.000 0.000 0.252 48 K C -0.865 175.800 176.600 0.107 0.000 0.932 48 K CA -0.566 55.780 56.287 0.099 0.000 0.794 48 K CB 1.671 34.222 32.500 0.085 0.000 1.241 48 K HN -0.211 nan 8.250 nan 0.000 0.428 49 N N 0.832 119.545 118.700 0.022 0.000 2.467 49 N HA 0.244 4.984 4.740 0.000 0.000 0.262 49 N C -1.143 174.262 175.510 -0.176 0.000 1.234 49 N CA -0.155 52.786 53.050 -0.181 0.000 0.952 49 N CB 1.048 39.429 38.487 -0.176 0.000 1.158 49 N HN 0.393 nan 8.380 nan 0.000 0.463 50 S N -0.092 115.369 115.700 -0.399 0.000 2.653 50 S HA 0.155 4.625 4.470 0.000 0.000 0.268 50 S C 0.406 174.894 174.600 -0.186 0.000 1.153 50 S CA -0.701 57.412 58.200 -0.146 0.000 1.036 50 S CB 1.070 64.314 63.200 0.074 0.000 1.103 50 S HN 0.525 nan 8.310 nan 0.000 0.466 51 T N 4.917 119.440 114.554 -0.051 0.000 2.643 51 T HA -0.136 4.214 4.350 0.000 0.000 0.264 51 T C 2.175 177.018 174.700 0.239 0.000 1.045 51 T CA 1.681 63.823 62.100 0.069 0.000 1.155 51 T CB -0.281 68.658 68.868 0.119 0.000 0.863 51 T HN 0.802 nan 8.240 nan 0.000 0.420 52 R N 1.020 121.637 120.500 0.195 0.000 2.127 52 R HA -0.100 4.240 4.340 0.000 0.000 0.238 52 R C 2.036 178.494 176.300 0.263 0.000 1.134 52 R CA 1.716 57.939 56.100 0.204 0.000 0.975 52 R CB -1.241 29.127 30.300 0.115 0.000 0.865 52 R HN 0.261 nan 8.270 nan 0.000 0.447 53 T N 1.135 115.864 114.554 0.291 0.000 2.770 53 T HA -0.091 4.259 4.350 0.000 0.000 0.263 53 T C 1.813 176.830 174.700 0.529 0.000 1.039 53 T CA 1.416 63.778 62.100 0.436 0.000 1.142 53 T CB -0.227 68.973 68.868 0.553 0.000 0.868 53 T HN 0.381 nan 8.240 nan 0.000 0.435 54 R N 0.018 120.780 120.500 0.435 0.000 2.097 54 R HA -0.135 4.205 4.340 0.000 0.000 0.236 54 R C 2.131 178.563 176.300 0.220 0.000 1.135 54 R CA 1.744 58.055 56.100 0.351 0.000 0.934 54 R CB -0.622 29.697 30.300 0.032 0.000 0.846 54 R HN 0.308 nan 8.270 nan 0.000 0.431 55 F N 1.143 121.166 119.950 0.122 0.000 2.027 55 F HA -0.362 4.165 4.527 0.000 0.000 0.297 55 F C 2.960 178.800 175.800 0.067 0.000 1.129 55 F CA 2.380 60.425 58.000 0.075 0.000 1.195 55 F CB -0.750 38.273 39.000 0.038 0.000 0.960 55 F HN 0.257 nan 8.300 nan 0.000 0.485 56 S N -0.129 115.728 115.700 0.262 0.000 2.351 56 S HA -0.260 4.210 4.470 0.000 0.000 0.220 56 S C 1.976 176.591 174.600 0.024 0.000 1.035 56 S CA 1.473 59.712 58.200 0.065 0.000 1.031 56 S CB -1.456 61.714 63.200 -0.051 0.000 0.928 56 S HN 0.203 nan 8.310 nan 0.000 0.433 57 F N 2.263 122.284 119.950 0.119 0.000 2.069 57 F HA -0.012 4.515 4.527 0.000 0.000 0.298 57 F C 2.868 178.699 175.800 0.050 0.000 1.113 57 F CA 1.618 59.670 58.000 0.086 0.000 1.214 57 F CB -0.796 38.263 39.000 0.097 0.000 0.978 57 F HN 0.320 nan 8.300 nan 0.000 0.474 58 E N 0.206 120.547 120.200 0.235 0.000 2.058 58 E HA -0.228 4.122 4.350 0.000 0.000 0.194 58 E C 2.348 178.975 176.600 0.046 0.000 0.997 58 E CA 1.266 57.719 56.400 0.088 0.000 0.801 58 E CB -0.294 29.403 29.700 -0.005 0.000 0.746 58 E HN 0.385 nan 8.360 nan 0.000 0.450 59 L N -0.102 121.158 121.223 0.061 0.000 2.072 59 L HA -0.058 4.283 4.340 0.000 0.000 0.205 59 L C 2.530 179.433 176.870 0.055 0.000 1.079 59 L CA 1.216 56.090 54.840 0.056 0.000 0.752 59 L CB -0.743 41.367 42.059 0.085 0.000 0.906 59 L HN 0.353 nan 8.230 nan 0.000 0.436 60 G N 0.462 109.294 108.800 0.053 0.000 2.476 60 G HA2 -0.309 3.651 3.960 0.000 0.000 0.218 60 G HA3 -0.309 3.651 3.960 0.000 0.000 0.218 60 G C 1.515 176.459 174.900 0.073 0.000 1.164 60 G CA 1.033 46.159 45.100 0.044 0.000 0.768 60 G HN 0.324 nan 8.290 nan 0.000 0.560 61 I N 1.485 122.116 120.570 0.101 0.000 2.208 61 I HA -0.176 3.994 4.170 0.000 0.000 0.245 61 I C 3.231 179.383 176.117 0.059 0.000 1.097 61 I CA 1.114 62.468 61.300 0.089 0.000 1.363 61 I CB -0.133 37.920 38.000 0.087 0.000 1.051 61 I HN 0.242 nan 8.210 nan 0.000 0.413 62 A N -0.319 122.527 122.820 0.043 0.000 1.969 62 A HA -0.227 4.093 4.320 0.000 0.000 0.218 62 A C 2.221 179.836 177.584 0.052 0.000 1.169 62 A CA 1.410 53.473 52.037 0.043 0.000 0.635 62 A CB -0.470 18.550 19.000 0.033 0.000 0.810 62 A HN 0.487 nan 8.150 nan 0.000 0.445 63 Q N -0.724 119.108 119.800 0.053 0.000 2.389 63 Q HA 0.185 4.525 4.340 0.000 0.000 0.204 63 Q C 1.154 177.186 176.000 0.053 0.000 0.944 63 Q CA 0.343 56.178 55.803 0.054 0.000 0.908 63 Q CB -0.037 28.736 28.738 0.058 0.000 1.002 63 Q HN 0.649 nan 8.270 nan 0.000 0.493 64 L N -0.837 120.420 121.223 0.057 0.000 2.612 64 L HA 0.200 4.540 4.340 0.000 0.000 0.230 64 L C 1.054 177.955 176.870 0.051 0.000 1.140 64 L CA 0.341 55.214 54.840 0.054 0.000 0.896 64 L CB -0.093 42.003 42.059 0.062 0.000 1.065 64 L HN 0.353 nan 8.230 nan 0.000 0.447 65 G N -0.072 108.759 108.800 0.052 0.000 2.179 65 G HA2 -0.240 3.720 3.960 0.000 0.000 0.260 65 G HA3 -0.240 3.720 3.960 0.000 0.000 0.260 65 G C 0.568 175.506 174.900 0.062 0.000 0.977 65 G CA -0.030 45.101 45.100 0.051 0.000 0.641 65 G HN 0.528 nan 8.290 nan 0.000 0.533 66 G N -1.185 107.657 108.800 0.069 0.000 2.557 66 G HA2 0.582 4.542 3.960 0.000 0.000 0.292 66 G HA3 0.582 4.542 3.960 0.000 0.000 0.292 66 G C -0.591 174.379 174.900 0.117 0.000 1.237 66 G CA 0.018 45.169 45.100 0.085 0.000 0.978 66 G HN 0.944 nan 8.290 nan 0.000 0.498 67 H N -1.109 117.979 119.070 0.029 0.000 2.609 67 H HA 0.605 5.162 4.556 0.000 0.000 0.344 67 H C -0.203 175.139 175.328 0.024 0.000 1.040 67 H CA -0.381 55.681 56.048 0.023 0.000 1.216 67 H CB 1.397 31.166 29.762 0.011 0.000 1.529 67 H HN 0.620 nan 8.280 nan 0.000 0.519 68 A N 5.021 127.572 122.820 -0.448 0.000 2.276 68 A HA 0.453 4.773 4.320 0.000 0.000 0.300 68 A C -0.614 176.809 177.584 -0.269 0.000 1.235 68 A CA -0.649 51.244 52.037 -0.241 0.000 0.867 68 A CB 0.260 19.174 19.000 -0.142 0.000 1.137 68 A HN 0.537 nan 8.150 nan 0.000 0.527 69 V N 4.421 124.306 119.914 -0.048 0.000 2.408 69 V HA 0.219 4.339 4.120 0.000 0.000 0.267 69 V C -0.004 176.084 176.094 -0.010 0.000 1.047 69 V CA -0.180 62.129 62.300 0.015 0.000 0.937 69 V CB 1.031 32.888 31.823 0.056 0.000 0.999 69 V HN 0.585 nan 8.190 nan 0.000 0.472 70 V N 6.425 126.345 119.914 0.009 0.000 2.370 70 V HA 0.475 4.595 4.120 0.000 0.000 0.283 70 V C -0.115 176.024 176.094 0.075 0.000 1.023 70 V CA -0.513 61.818 62.300 0.053 0.000 0.857 70 V CB 1.844 33.712 31.823 0.076 0.000 0.985 70 V HN 0.667 nan 8.190 nan 0.000 0.443 71 V N 3.599 123.570 119.914 0.095 0.000 2.444 71 V HA 0.601 4.721 4.120 0.000 0.000 0.294 71 V C -0.178 176.034 176.094 0.196 0.000 1.022 71 V CA -0.479 61.884 62.300 0.104 0.000 0.850 71 V CB 1.653 33.500 31.823 0.041 0.000 0.992 71 V HN 0.796 nan 8.190 nan 0.000 0.426 72 D N 3.746 124.239 120.400 0.155 0.000 2.352 72 D HA 0.144 4.785 4.640 0.000 0.000 0.238 72 D C 1.527 177.913 176.300 0.144 0.000 1.286 72 D CA 0.893 54.977 54.000 0.141 0.000 0.923 72 D CB 1.418 42.257 40.800 0.065 0.000 1.146 72 D HN 0.881 nan 8.370 nan 0.000 0.471 73 S N -0.844 114.935 115.700 0.132 0.000 2.547 73 S HA -0.039 4.431 4.470 0.000 0.000 0.235 73 S C 1.775 176.433 174.600 0.096 0.000 0.980 73 S CA 0.471 58.749 58.200 0.129 0.000 0.941 73 S CB -0.280 62.997 63.200 0.129 0.000 0.763 73 S HN 0.531 nan 8.310 nan 0.000 0.532 74 G N 0.541 109.385 108.800 0.073 0.000 2.882 74 G HA2 0.278 4.238 3.960 0.000 0.000 0.206 74 G HA3 0.278 4.238 3.960 0.000 0.000 0.206 74 G C 0.236 175.167 174.900 0.052 0.000 1.155 74 G CA -0.037 45.096 45.100 0.054 0.000 0.800 74 G HN 0.512 nan 8.290 nan 0.000 0.524 75 S N -0.885 114.852 115.700 0.061 0.000 2.726 75 S HA 0.489 4.959 4.470 0.000 0.000 0.308 75 S C -0.017 174.620 174.600 0.061 0.000 1.115 75 S CA -0.600 57.631 58.200 0.051 0.000 0.965 75 S CB 1.329 64.555 63.200 0.043 0.000 1.145 75 S HN 0.117 nan 8.310 nan 0.000 0.532 76 T N 2.412 116.996 114.554 0.050 0.000 2.829 76 T HA 0.062 4.412 4.350 0.000 0.000 0.293 76 T C 0.275 175.017 174.700 0.070 0.000 0.970 76 T CA 0.187 62.320 62.100 0.055 0.000 1.168 76 T CB -0.036 68.857 68.868 0.040 0.000 0.911 76 T HN 0.476 nan 8.240 nan 0.000 0.535 77 Q N 1.742 121.601 119.800 0.098 0.000 2.386 77 Q HA 0.031 4.371 4.340 0.000 0.000 0.282 77 Q C 0.787 176.860 176.000 0.121 0.000 1.050 77 Q CA -0.646 55.241 55.803 0.139 0.000 0.918 77 Q CB 0.363 29.208 28.738 0.178 0.000 1.266 77 Q HN 0.501 nan 8.270 nan 0.000 0.423 78 L N 3.652 124.963 121.223 0.147 0.000 2.465 78 L HA 0.055 4.395 4.340 0.000 0.000 0.224 78 L C 1.601 178.516 176.870 0.075 0.000 1.145 78 L CA 1.835 56.718 54.840 0.071 0.000 0.834 78 L CB -0.451 41.603 42.059 -0.009 0.000 0.944 78 L HN 0.845 nan 8.230 nan 0.000 0.451 79 G N -2.142 106.732 108.800 0.123 0.000 2.887 79 G HA2 -0.034 3.926 3.960 0.000 0.000 0.211 79 G HA3 -0.034 3.926 3.960 0.000 0.000 0.211 79 G C 1.736 176.677 174.900 0.068 0.000 1.152 79 G CA -0.159 45.001 45.100 0.100 0.000 0.769 79 G HN 0.248 nan 8.290 nan 0.000 0.541 80 R N -0.047 120.492 120.500 0.065 0.000 2.075 80 R HA 0.044 4.384 4.340 0.000 0.000 0.226 80 R C 1.574 177.895 176.300 0.035 0.000 1.114 80 R CA 1.303 57.432 56.100 0.049 0.000 0.972 80 R CB -0.023 30.308 30.300 0.052 0.000 0.869 80 R HN 0.186 nan 8.270 nan 0.000 0.437 81 D N 0.261 120.679 120.400 0.030 0.000 2.360 81 D HA -0.009 4.631 4.640 0.000 0.000 0.210 81 D C -0.372 175.937 176.300 0.014 0.000 1.047 81 D CA 0.241 54.254 54.000 0.021 0.000 0.854 81 D CB 0.594 41.406 40.800 0.020 0.000 0.936 81 D HN 0.343 nan 8.370 nan 0.000 0.514 82 E N -2.235 117.973 120.200 0.014 0.000 2.417 82 E HA 0.163 4.513 4.350 0.000 0.000 0.280 82 E C -0.720 175.886 176.600 0.010 0.000 1.112 82 E CA -0.955 55.449 56.400 0.007 0.000 0.863 82 E CB 0.207 29.906 29.700 -0.002 0.000 1.346 82 E HN -0.051 nan 8.360 nan 0.000 0.443 83 T N -0.780 113.778 114.554 0.007 0.000 2.795 83 T HA 0.140 4.490 4.350 0.000 0.000 0.314 83 T C 1.337 176.039 174.700 0.004 0.000 1.069 83 T CA -0.365 61.743 62.100 0.012 0.000 1.071 83 T CB 0.338 69.211 68.868 0.009 0.000 0.988 83 T HN 0.523 nan 8.240 nan 0.000 0.543 84 L N 0.782 122.018 121.223 0.022 0.000 2.156 84 L HA -0.077 4.263 4.340 0.000 0.000 0.208 84 L C 3.066 179.922 176.870 -0.024 0.000 1.095 84 L CA 1.076 55.921 54.840 0.009 0.000 0.770 84 L CB -0.540 41.574 42.059 0.092 0.000 0.914 84 L HN 0.699 nan 8.230 nan 0.000 0.439 85 Q N -0.027 119.769 119.800 -0.006 0.000 2.050 85 Q HA -0.192 4.148 4.340 0.000 0.000 0.202 85 Q C 1.874 177.854 176.000 -0.035 0.000 0.980 85 Q CA 1.548 57.341 55.803 -0.016 0.000 0.840 85 Q CB -0.243 28.492 28.738 -0.004 0.000 0.898 85 Q HN 0.332 nan 8.270 nan 0.000 0.424 86 D N -0.451 119.930 120.400 -0.031 0.000 2.104 86 D HA -0.134 4.506 4.640 0.000 0.000 0.194 86 D C 1.808 178.071 176.300 -0.061 0.000 0.994 86 D CA 1.666 55.642 54.000 -0.039 0.000 0.830 86 D CB -0.393 40.391 40.800 -0.028 0.000 0.959 86 D HN 0.227 nan 8.370 nan 0.000 0.452 87 T N 0.753 115.264 114.554 -0.071 0.000 2.684 87 T HA -0.167 4.183 4.350 0.000 0.000 0.267 87 T C 1.982 176.607 174.700 -0.124 0.000 1.036 87 T CA 1.725 63.764 62.100 -0.103 0.000 1.148 87 T CB -0.345 68.439 68.868 -0.141 0.000 0.863 87 T HN 0.219 nan 8.240 nan 0.000 0.436 88 A N 1.844 124.592 122.820 -0.120 0.000 1.883 88 A HA -0.149 4.171 4.320 0.000 0.000 0.217 88 A C 2.270 179.800 177.584 -0.090 0.000 1.186 88 A CA 1.510 53.481 52.037 -0.110 0.000 0.624 88 A CB -0.429 18.524 19.000 -0.078 0.000 0.822 88 A HN 0.407 nan 8.150 nan 0.000 0.444 89 K N -0.408 119.945 120.400 -0.079 0.000 2.103 89 K HA -0.099 4.221 4.320 0.000 0.000 0.207 89 K C 1.948 178.469 176.600 -0.131 0.000 1.048 89 K CA 1.482 57.719 56.287 -0.083 0.000 0.930 89 K CB -0.433 32.027 32.500 -0.066 0.000 0.716 89 K HN 0.376 nan 8.250 nan 0.000 0.444 90 V N 1.901 121.725 119.914 -0.151 0.000 2.283 90 V HA -0.199 3.921 4.120 0.000 0.000 0.243 90 V C 2.337 178.245 176.094 -0.309 0.000 1.039 90 V CA 1.352 63.504 62.300 -0.246 0.000 1.016 90 V CB -0.428 31.290 31.823 -0.176 0.000 0.650 90 V HN 0.232 nan 8.190 nan 0.000 0.449 91 L N 0.338 121.461 121.223 -0.167 0.000 2.129 91 L HA -0.202 4.138 4.340 0.000 0.000 0.212 91 L C 2.459 179.274 176.870 -0.092 0.000 1.087 91 L CA 1.698 56.483 54.840 -0.092 0.000 0.757 91 L CB -0.707 41.303 42.059 -0.082 0.000 0.896 91 L HN 0.328 nan 8.230 nan 0.000 0.434 92 S N -0.800 114.835 115.700 -0.108 0.000 2.507 92 S HA -0.052 4.418 4.470 0.000 0.000 0.235 92 S C 1.915 176.457 174.600 -0.096 0.000 0.988 92 S CA 0.651 58.807 58.200 -0.073 0.000 0.944 92 S CB -0.130 63.038 63.200 -0.054 0.000 0.762 92 S HN 0.339 nan 8.310 nan 0.000 0.526 93 R N -0.031 120.346 120.500 -0.205 0.000 2.173 93 R HA 0.179 4.520 4.340 0.000 0.000 0.208 93 R C 1.101 177.320 176.300 -0.134 0.000 1.035 93 R CA 0.805 56.769 56.100 -0.228 0.000 1.004 93 R CB -0.477 29.595 30.300 -0.379 0.000 0.917 93 R HN 0.476 nan 8.270 nan 0.000 0.462 94 Y N -0.422 119.868 120.300 -0.016 0.000 2.479 94 Y HA 0.143 4.693 4.550 0.000 0.000 0.283 94 Y C 1.221 177.118 175.900 -0.005 0.000 1.109 94 Y CA -0.718 57.375 58.100 -0.012 0.000 1.239 94 Y CB 0.043 38.494 38.460 -0.016 0.000 1.108 94 Y HN -0.248 nan 8.280 nan 0.000 0.548 95 V N -3.344 116.647 119.914 0.129 0.000 3.102 95 V HA 0.533 4.653 4.120 0.000 0.000 0.312 95 V C -0.279 175.843 176.094 0.046 0.000 1.135 95 V CA -0.862 61.488 62.300 0.083 0.000 1.022 95 V CB 2.293 34.157 31.823 0.068 0.000 1.056 95 V HN -0.179 nan 8.190 nan 0.000 0.436 96 D N 1.148 121.573 120.400 0.042 0.000 2.360 96 D HA 0.603 5.243 4.640 0.000 0.000 0.210 96 D C 0.508 176.829 176.300 0.034 0.000 1.047 96 D CA 1.447 55.467 54.000 0.033 0.000 0.854 96 D CB 1.052 41.872 40.800 0.033 0.000 0.936 96 D HN 1.084 nan 8.370 nan 0.000 0.514 97 A N -0.099 122.743 122.820 0.035 0.000 2.612 97 A HA 0.668 4.988 4.320 0.000 0.000 0.293 97 A C -1.607 175.985 177.584 0.014 0.000 1.075 97 A CA -0.650 51.412 52.037 0.042 0.000 0.680 97 A CB 1.038 20.073 19.000 0.058 0.000 1.279 97 A HN 0.006 nan 8.150 nan 0.000 0.411 98 I N 1.367 121.945 120.570 0.014 0.000 2.411 98 I HA 0.423 4.593 4.170 0.000 0.000 0.284 98 I C -0.851 175.239 176.117 -0.046 0.000 1.012 98 I CA -0.835 60.443 61.300 -0.037 0.000 1.119 98 I CB 1.812 39.785 38.000 -0.046 0.000 1.261 98 I HN 0.309 nan 8.210 nan 0.000 0.448 99 V N 5.859 125.680 119.914 -0.157 0.000 2.394 99 V HA 0.400 4.520 4.120 0.000 0.000 0.282 99 V C -1.041 174.927 176.094 -0.210 0.000 1.031 99 V CA -0.378 61.751 62.300 -0.284 0.000 0.881 99 V CB 1.663 33.072 31.823 -0.691 0.000 0.982 99 V HN 0.636 nan 8.190 nan 0.000 0.451 100 W N 6.256 127.345 121.300 -0.351 0.000 3.042 100 W HA 0.526 5.186 4.660 0.000 0.000 0.337 100 W C -0.791 175.551 176.519 -0.295 0.000 1.086 100 W CA -1.236 55.916 57.345 -0.322 0.000 1.236 100 W CB 1.501 30.840 29.460 -0.200 0.000 1.381 100 W HN 0.364 nan 8.180 nan 0.000 0.472 101 R N 4.509 124.904 120.500 -0.175 0.000 2.215 101 R HA 0.507 4.847 4.340 0.000 0.000 0.336 101 R C -0.648 175.329 176.300 -0.539 0.000 0.996 101 R CA 0.352 56.277 56.100 -0.292 0.000 0.847 101 R CB 1.347 31.603 30.300 -0.074 0.000 1.127 101 R HN 0.685 nan 8.270 nan 0.000 0.465 102 T N 1.822 115.895 114.554 -0.802 0.000 2.591 102 T HA 0.502 4.852 4.350 0.000 0.000 0.274 102 T C 0.100 174.305 174.700 -0.825 0.000 0.945 102 T CA -0.283 61.204 62.100 -1.021 0.000 1.087 102 T CB 0.541 68.520 68.868 -1.481 0.000 1.416 102 T HN 0.268 nan 8.240 nan 0.000 0.514 103 F N 0.642 120.420 119.950 -0.286 0.000 2.468 103 F HA 0.539 5.066 4.527 0.000 0.000 0.250 103 F C 1.847 177.541 175.800 -0.177 0.000 0.990 103 F CA 0.122 58.017 58.000 -0.174 0.000 1.043 103 F CB -0.801 38.137 39.000 -0.104 0.000 1.184 103 F HN 0.618 nan 8.300 nan 0.000 0.690 104 G N -0.070 108.771 108.800 0.069 0.000 2.467 104 G HA2 0.232 4.192 3.960 0.000 0.000 0.257 104 G HA3 0.232 4.192 3.960 0.000 0.000 0.257 104 G C 0.280 175.131 174.900 -0.080 0.000 1.227 104 G CA -0.201 44.890 45.100 -0.015 0.000 0.835 104 G HN 0.223 nan 8.290 nan 0.000 0.556 105 Q N 0.120 119.888 119.800 -0.053 0.000 2.291 105 Q HA -0.116 4.224 4.340 0.000 0.000 0.205 105 Q C 2.494 178.481 176.000 -0.022 0.000 0.970 105 Q CA 1.688 57.477 55.803 -0.024 0.000 0.876 105 Q CB 0.047 28.822 28.738 0.062 0.000 0.935 105 Q HN 0.814 nan 8.270 nan 0.000 0.455 106 E N 0.198 120.390 120.200 -0.015 0.000 2.110 106 E HA -0.239 4.111 4.350 0.000 0.000 0.193 106 E C 1.613 178.219 176.600 0.010 0.000 0.988 106 E CA 1.247 57.648 56.400 0.003 0.000 0.804 106 E CB -0.358 29.348 29.700 0.011 0.000 0.745 106 E HN 0.376 nan 8.360 nan 0.000 0.458 107 R N 0.373 120.866 120.500 -0.012 0.000 2.083 107 R HA -0.003 4.337 4.340 0.000 0.000 0.237 107 R C 2.836 179.162 176.300 0.044 0.000 1.137 107 R CA 1.624 57.736 56.100 0.019 0.000 0.951 107 R CB -0.474 29.772 30.300 -0.089 0.000 0.851 107 R HN 0.193 nan 8.270 nan 0.000 0.434 108 L N 0.570 121.724 121.223 -0.115 0.000 2.083 108 L HA -0.215 4.125 4.340 0.000 0.000 0.209 108 L C 1.742 178.630 176.870 0.030 0.000 1.083 108 L CA 1.127 55.950 54.840 -0.029 0.000 0.752 108 L CB -0.359 41.636 42.059 -0.107 0.000 0.899 108 L HN 0.165 nan 8.230 nan 0.000 0.433 109 D N -0.123 120.281 120.400 0.006 0.000 2.144 109 D HA -0.119 4.521 4.640 0.000 0.000 0.200 109 D C 2.240 178.548 176.300 0.014 0.000 0.978 109 D CA 1.345 55.342 54.000 -0.005 0.000 0.833 109 D CB -0.007 40.794 40.800 0.001 0.000 0.961 109 D HN 0.296 nan 8.370 nan 0.000 0.470 110 A N 0.626 123.479 122.820 0.055 0.000 1.883 110 A HA -0.201 4.119 4.320 0.000 0.000 0.217 110 A C 2.191 179.814 177.584 0.064 0.000 1.186 110 A CA 1.812 53.889 52.037 0.067 0.000 0.624 110 A CB -0.554 18.505 19.000 0.098 0.000 0.822 110 A HN 0.193 nan 8.150 nan 0.000 0.444 111 M N -0.204 119.467 119.600 0.119 0.000 2.132 111 M HA 0.012 4.492 4.480 0.000 0.000 0.263 111 M C 2.094 178.386 176.300 -0.013 0.000 1.065 111 M CA 1.784 57.126 55.300 0.069 0.000 1.122 111 M CB -0.310 32.400 32.600 0.183 0.000 1.365 111 M HN 0.361 nan 8.290 nan 0.000 0.411 112 A N -0.930 121.841 122.820 -0.081 0.000 2.016 112 A HA -0.060 4.260 4.320 0.000 0.000 0.217 112 A C 2.176 179.687 177.584 -0.121 0.000 1.162 112 A CA 1.434 53.300 52.037 -0.284 0.000 0.662 112 A CB -1.170 17.473 19.000 -0.596 0.000 0.812 112 A HN 0.676 nan 8.150 nan 0.000 0.450 113 S N -0.053 115.620 115.700 -0.045 0.000 2.440 113 S HA -0.134 4.336 4.470 0.000 0.000 0.238 113 S C 1.420 176.032 174.600 0.020 0.000 1.010 113 S CA 1.776 59.977 58.200 0.002 0.000 0.972 113 S CB -0.709 62.496 63.200 0.008 0.000 0.774 113 S HN 1.199 nan 8.310 nan 0.000 0.501 114 V N -3.210 116.712 119.914 0.014 0.000 3.497 114 V HA 0.672 4.792 4.120 0.000 0.000 0.272 114 V C 0.905 177.013 176.094 0.024 0.000 1.474 114 V CA -0.242 62.068 62.300 0.017 0.000 1.025 114 V CB -0.715 31.109 31.823 0.001 0.000 0.820 114 V HN 0.564 nan 8.190 nan 0.000 0.437 115 A N 1.969 124.809 122.820 0.033 0.000 2.507 115 A HA 0.424 4.744 4.320 0.000 0.000 0.235 115 A C 1.228 178.856 177.584 0.074 0.000 1.070 115 A CA 1.003 53.068 52.037 0.046 0.000 0.768 115 A CB 0.063 19.104 19.000 0.069 0.000 1.011 115 A HN 1.067 nan 8.150 nan 0.000 0.502 116 T N -1.818 112.761 114.554 0.042 0.000 3.085 116 T HA 0.412 4.762 4.350 0.000 0.000 0.264 116 T C 0.163 174.879 174.700 0.027 0.000 1.019 116 T CA 0.425 62.542 62.100 0.029 0.000 0.910 116 T CB -1.182 67.687 68.868 0.001 0.000 1.059 116 T HN 1.516 nan 8.240 nan 0.000 0.542 117 V N -2.447 117.500 119.914 0.055 0.000 3.001 117 V HA 0.789 4.909 4.120 0.000 0.000 0.314 117 V C -3.246 172.918 176.094 0.116 0.000 1.099 117 V CA -3.408 58.923 62.300 0.051 0.000 0.989 117 V CB 1.684 33.529 31.823 0.037 0.000 1.040 117 V HN -0.172 nan 8.190 nan 0.000 0.434 118 P HA 0.246 nan 4.420 nan 0.000 0.265 118 P C -0.672 176.791 177.300 0.271 0.000 1.193 118 P CA 0.172 63.370 63.100 0.163 0.000 0.765 118 P CB 0.688 32.445 31.700 0.095 0.000 0.823 119 V N 5.262 125.455 119.914 0.466 0.000 2.459 119 V HA 0.421 4.541 4.120 0.000 0.000 0.295 119 V C 0.342 176.586 176.094 0.250 0.000 1.029 119 V CA -0.437 62.011 62.300 0.247 0.000 0.874 119 V CB 1.432 33.326 31.823 0.118 0.000 0.985 119 V HN 0.365 nan 8.190 nan 0.000 0.438 120 I N 3.530 124.210 120.570 0.182 0.000 2.465 120 I HA 0.371 4.541 4.170 0.000 0.000 0.291 120 I C -0.077 176.122 176.117 0.137 0.000 1.014 120 I CA -0.673 60.761 61.300 0.223 0.000 1.093 120 I CB 1.893 40.029 38.000 0.226 0.000 1.267 120 I HN 0.511 nan 8.210 nan 0.000 0.431 121 N N 4.827 123.602 118.700 0.126 0.000 2.406 121 N HA 0.169 4.909 4.740 0.000 0.000 0.269 121 N C 0.826 176.412 175.510 0.128 0.000 1.210 121 N CA 0.143 53.221 53.050 0.045 0.000 0.966 121 N CB 1.255 39.730 38.487 -0.020 0.000 1.293 121 N HN 0.766 nan 8.380 nan 0.000 0.491 122 A N 3.914 126.768 122.820 0.056 0.000 1.972 122 A HA 0.075 4.395 4.320 0.000 0.000 0.219 122 A C 0.737 178.437 177.584 0.194 0.000 1.169 122 A CA 0.946 53.076 52.037 0.155 0.000 0.635 122 A CB -0.170 18.782 19.000 -0.079 0.000 0.810 122 A HN 0.701 nan 8.150 nan 0.000 0.446 123 L N -1.571 119.646 121.223 -0.010 0.000 3.976 123 L HA 0.331 4.672 4.340 0.000 0.000 0.253 123 L C -0.801 175.939 176.870 -0.217 0.000 1.011 123 L CA 0.091 54.794 54.840 -0.228 0.000 1.069 123 L CB 1.082 42.902 42.059 -0.399 0.000 1.791 123 L HN 0.372 nan 8.230 nan 0.000 0.481 124 S N 0.970 116.558 115.700 -0.186 0.000 2.794 124 S HA 0.560 5.030 4.470 0.000 0.000 0.299 124 S C -0.223 174.298 174.600 -0.133 0.000 1.179 124 S CA -0.536 57.553 58.200 -0.185 0.000 0.838 124 S CB 1.776 64.886 63.200 -0.150 0.000 1.206 124 S HN 0.628 nan 8.310 nan 0.000 0.523 125 D N 0.595 120.938 120.400 -0.095 0.000 2.277 125 D HA 0.066 4.706 4.640 0.000 0.000 0.208 125 D C 1.403 177.620 176.300 -0.138 0.000 0.962 125 D CA 0.946 54.909 54.000 -0.061 0.000 0.865 125 D CB 0.095 40.901 40.800 0.010 0.000 0.939 125 D HN 0.631 nan 8.370 nan 0.000 0.510 126 E N -0.671 119.379 120.200 -0.249 0.000 2.206 126 E HA 0.081 4.431 4.350 0.000 0.000 0.195 126 E C 0.120 176.271 176.600 -0.748 0.000 0.935 126 E CA 0.456 56.526 56.400 -0.549 0.000 0.875 126 E CB 0.510 29.669 29.700 -0.901 0.000 0.841 126 E HN 0.188 nan 8.360 nan 0.000 0.477 127 F N -0.302 119.663 119.950 0.026 0.000 2.599 127 F HA 0.366 4.893 4.527 0.000 0.000 0.311 127 F C 0.140 175.968 175.800 0.047 0.000 1.076 127 F CA -1.043 56.973 58.000 0.026 0.000 0.937 127 F CB 1.396 40.370 39.000 -0.043 0.000 1.282 127 F HN -0.105 nan 8.300 nan 0.000 0.460 128 H N 2.916 122.079 119.070 0.155 0.000 2.386 128 H HA 0.401 4.957 4.556 0.000 0.000 0.232 128 H C -2.334 173.049 175.328 0.092 0.000 1.416 128 H CA -3.253 52.852 56.048 0.096 0.000 1.285 128 H CB 0.562 30.362 29.762 0.064 0.000 1.625 128 H HN 0.162 nan 8.280 nan 0.000 0.521 129 P HA -0.141 nan 4.420 nan 0.000 0.215 129 P C 1.420 178.856 177.300 0.226 0.000 1.153 129 P CA 1.156 64.291 63.100 0.059 0.000 0.853 129 P CB 0.244 31.714 31.700 -0.383 0.000 0.788 130 C N -1.520 117.961 119.300 0.302 0.000 2.446 130 C HA -0.050 4.411 4.460 0.000 0.000 0.279 130 C C 2.799 177.787 174.990 -0.004 0.000 1.366 130 C CA 0.573 59.734 59.018 0.238 0.000 1.763 130 C CB -1.738 26.182 27.740 0.300 0.000 1.929 130 C HN 0.243 nan 8.230 nan 0.000 0.509 131 Q N 1.215 120.870 119.800 -0.242 0.000 2.119 131 Q HA -0.095 4.245 4.340 0.000 0.000 0.201 131 Q C 2.042 177.945 176.000 -0.162 0.000 0.972 131 Q CA 1.766 57.340 55.803 -0.382 0.000 0.847 131 Q CB -0.309 27.887 28.738 -0.902 0.000 0.903 131 Q HN 0.463 nan 8.270 nan 0.000 0.433 132 V N 0.302 120.164 119.914 -0.086 0.000 2.453 132 V HA -0.202 3.918 4.120 0.000 0.000 0.247 132 V C 2.228 178.318 176.094 -0.006 0.000 1.048 132 V CA 1.357 63.641 62.300 -0.026 0.000 1.049 132 V CB -0.511 31.314 31.823 0.003 0.000 0.672 132 V HN 0.372 nan 8.190 nan 0.000 0.457 133 L N 0.191 121.425 121.223 0.018 0.000 2.013 133 L HA -0.232 4.108 4.340 0.000 0.000 0.212 133 L C 2.772 179.627 176.870 -0.025 0.000 1.073 133 L CA 1.787 56.623 54.840 -0.007 0.000 0.753 133 L CB -0.900 41.148 42.059 -0.018 0.000 0.890 133 L HN 0.379 nan 8.230 nan 0.000 0.432 134 A N 0.176 122.975 122.820 -0.035 0.000 1.851 134 A HA -0.274 4.046 4.320 0.000 0.000 0.216 134 A C 1.907 179.479 177.584 -0.019 0.000 1.195 134 A CA 2.228 54.245 52.037 -0.033 0.000 0.622 134 A CB -0.766 18.202 19.000 -0.053 0.000 0.831 134 A HN 0.378 nan 8.150 nan 0.000 0.444 135 D N 0.105 120.490 120.400 -0.025 0.000 2.126 135 D HA -0.184 4.456 4.640 0.000 0.000 0.190 135 D C 1.920 178.217 176.300 -0.005 0.000 1.001 135 D CA 1.441 55.433 54.000 -0.013 0.000 0.841 135 D CB -0.492 40.301 40.800 -0.012 0.000 0.949 135 D HN 0.462 nan 8.370 nan 0.000 0.446 136 L N 0.217 121.435 121.223 -0.009 0.000 1.989 136 L HA -0.246 4.094 4.340 0.000 0.000 0.211 136 L C 2.668 179.532 176.870 -0.010 0.000 1.071 136 L CA 1.454 56.288 54.840 -0.010 0.000 0.749 136 L CB -0.615 41.434 42.059 -0.018 0.000 0.890 136 L HN 0.115 nan 8.230 nan 0.000 0.431 137 Q N -0.329 119.465 119.800 -0.010 0.000 2.112 137 Q HA -0.285 4.055 4.340 0.000 0.000 0.206 137 Q C 2.126 178.129 176.000 0.005 0.000 0.987 137 Q CA 2.663 58.464 55.803 -0.003 0.000 0.858 137 Q CB -0.149 28.594 28.738 0.009 0.000 0.905 137 Q HN 0.500 nan 8.270 nan 0.000 0.420 138 T N -1.170 113.389 114.554 0.009 0.000 3.014 138 T HA 0.000 4.350 4.350 0.000 0.000 0.263 138 T C 1.757 176.461 174.700 0.007 0.000 1.078 138 T CA 0.788 62.895 62.100 0.013 0.000 1.135 138 T CB -0.196 68.681 68.868 0.016 0.000 0.895 138 T HN 0.368 nan 8.240 nan 0.000 0.480 139 I N 1.835 122.407 120.570 0.005 0.000 2.142 139 I HA -0.077 4.093 4.170 0.000 0.000 0.240 139 I C 3.155 179.274 176.117 0.004 0.000 1.078 139 I CA 1.260 62.564 61.300 0.006 0.000 1.343 139 I CB -0.664 37.340 38.000 0.007 0.000 1.046 139 I HN 0.351 nan 8.210 nan 0.000 0.405 140 A N 1.307 124.126 122.820 -0.001 0.000 1.903 140 A HA -0.299 4.021 4.320 0.000 0.000 0.219 140 A C 2.200 179.783 177.584 -0.001 0.000 1.191 140 A CA 2.402 54.437 52.037 -0.004 0.000 0.638 140 A CB -0.924 18.070 19.000 -0.009 0.000 0.823 140 A HN 0.662 nan 8.150 nan 0.000 0.451 141 E N -0.925 119.275 120.200 0.000 0.000 2.077 141 E HA -0.185 4.166 4.350 0.000 0.000 0.193 141 E C 2.081 178.684 176.600 0.004 0.000 0.989 141 E CA 0.919 57.320 56.400 0.001 0.000 0.800 141 E CB -0.313 29.389 29.700 0.003 0.000 0.746 141 E HN 0.428 nan 8.360 nan 0.000 0.452 142 R N 0.847 121.351 120.500 0.006 0.000 2.115 142 R HA 0.062 4.402 4.340 0.000 0.000 0.226 142 R C 1.361 177.665 176.300 0.008 0.000 1.100 142 R CA 0.958 57.062 56.100 0.008 0.000 0.980 142 R CB 0.074 30.379 30.300 0.008 0.000 0.875 142 R HN 0.214 nan 8.270 nan 0.000 0.445 143 K N -0.942 119.462 120.400 0.007 0.000 2.533 143 K HA 0.214 4.534 4.320 0.000 0.000 0.202 143 K C 0.726 177.330 176.600 0.006 0.000 1.096 143 K CA 0.454 56.747 56.287 0.009 0.000 1.056 143 K CB 1.790 34.298 32.500 0.012 0.000 0.890 143 K HN 0.211 nan 8.250 nan 0.000 0.552 144 G N 2.502 111.304 108.800 0.003 0.000 2.609 144 G HA2 -0.382 3.578 3.960 0.000 0.000 0.288 144 G HA3 -0.382 3.578 3.960 0.000 0.000 0.288 144 G C 0.110 175.009 174.900 -0.001 0.000 1.211 144 G CA -0.038 45.062 45.100 0.001 0.000 0.963 144 G HN 0.466 nan 8.290 nan 0.000 0.541 145 A N -0.403 122.417 122.820 -0.000 0.000 2.322 145 A HA 0.709 5.030 4.320 0.000 0.000 0.269 145 A C 1.194 178.775 177.584 -0.005 0.000 1.094 145 A CA 0.411 52.446 52.037 -0.004 0.000 0.807 145 A CB 0.926 19.925 19.000 -0.002 0.000 1.047 145 A HN 1.114 nan 8.150 nan 0.000 0.487 146 L N 0.764 121.979 121.223 -0.013 0.000 2.253 146 L HA 0.151 4.491 4.340 0.000 0.000 0.205 146 L C 1.516 178.369 176.870 -0.029 0.000 1.078 146 L CA 1.191 56.020 54.840 -0.019 0.000 0.805 146 L CB -0.886 41.157 42.059 -0.026 0.000 0.963 146 L HN 0.671 nan 8.230 nan 0.000 0.459 147 R N -0.183 120.297 120.500 -0.033 0.000 2.522 147 R HA 0.302 4.643 4.340 0.000 0.000 0.284 147 R C 1.140 177.418 176.300 -0.037 0.000 1.032 147 R CA 0.879 56.949 56.100 -0.050 0.000 1.049 147 R CB -0.150 30.128 30.300 -0.036 0.000 0.956 147 R HN 0.424 nan 8.270 nan 0.000 0.422 148 G N 2.224 110.977 108.800 -0.079 0.000 2.217 148 G HA2 -0.269 3.691 3.960 0.000 0.000 0.246 148 G HA3 -0.269 3.691 3.960 0.000 0.000 0.246 148 G C 0.288 175.238 174.900 0.083 0.000 0.990 148 G CA -0.435 44.670 45.100 0.008 0.000 0.627 148 G HN 0.440 nan 8.290 nan 0.000 0.522 149 L N 0.639 121.881 121.223 0.031 0.000 2.476 149 L HA 0.450 4.791 4.340 0.000 0.000 0.264 149 L C 1.019 177.956 176.870 0.112 0.000 1.224 149 L CA -0.197 54.681 54.840 0.064 0.000 0.821 149 L CB 0.359 42.436 42.059 0.030 0.000 1.101 149 L HN 0.170 nan 8.230 nan 0.000 0.488 150 R N 2.736 123.304 120.500 0.113 0.000 2.337 150 R HA 0.497 4.837 4.340 0.000 0.000 0.319 150 R C -1.107 175.250 176.300 0.095 0.000 0.954 150 R CA -0.665 55.512 56.100 0.128 0.000 0.840 150 R CB 1.666 32.035 30.300 0.115 0.000 1.164 150 R HN 0.430 nan 8.270 nan 0.000 0.472 151 L N 1.295 122.571 121.223 0.088 0.000 2.334 151 L HA 0.524 4.865 4.340 0.000 0.000 0.276 151 L C -0.781 176.132 176.870 0.070 0.000 1.014 151 L CA -0.307 54.582 54.840 0.081 0.000 0.815 151 L CB 2.098 44.197 42.059 0.067 0.000 1.268 151 L HN 0.506 nan 8.230 nan 0.000 0.428 152 S N 3.236 118.984 115.700 0.080 0.000 2.605 152 S HA 0.387 4.857 4.470 0.000 0.000 0.308 152 S C -1.341 173.225 174.600 -0.057 0.000 1.113 152 S CA -0.333 57.839 58.200 -0.047 0.000 1.049 152 S CB 1.082 64.218 63.200 -0.106 0.000 1.001 152 S HN 0.528 nan 8.310 nan 0.000 0.480 153 Y N 3.076 123.220 120.300 -0.261 0.000 2.352 153 Y HA 0.706 5.256 4.550 0.000 0.000 0.326 153 Y C -1.416 174.258 175.900 -0.377 0.000 1.166 153 Y CA -0.854 57.153 58.100 -0.154 0.000 1.182 153 Y CB 0.611 39.028 38.460 -0.073 0.000 1.216 153 Y HN 0.563 nan 8.280 nan 0.000 0.474 154 F N 3.501 123.016 119.950 -0.725 0.000 2.561 154 F HA 0.665 5.192 4.527 0.000 0.000 0.313 154 F C 0.533 175.998 175.800 -0.559 0.000 1.126 154 F CA 0.101 57.884 58.000 -0.362 0.000 0.918 154 F CB 2.032 40.991 39.000 -0.068 0.000 1.199 154 F HN 0.816 nan 8.300 nan 0.000 0.444 155 G N 2.038 110.798 108.800 -0.066 0.000 2.253 155 G HA2 -0.099 3.861 3.960 0.000 0.000 0.190 155 G HA3 -0.099 3.861 3.960 0.000 0.000 0.190 155 G C -1.416 173.566 174.900 0.136 0.000 1.274 155 G CA -0.801 44.349 45.100 0.083 0.000 1.275 155 G HN 0.614 nan 8.290 nan 0.000 0.518 156 D N 2.163 122.664 120.400 0.169 0.000 2.383 156 D HA 0.443 5.083 4.640 0.000 0.000 0.245 156 D C 1.467 177.968 176.300 0.336 0.000 1.263 156 D CA 0.795 54.929 54.000 0.222 0.000 0.936 156 D CB 0.320 41.160 40.800 0.066 0.000 1.053 156 D HN 0.896 nan 8.370 nan 0.000 0.507 157 G N 2.550 111.523 108.800 0.289 0.000 3.210 157 G HA2 0.221 4.181 3.960 0.000 0.000 0.220 157 G HA3 0.221 4.181 3.960 0.000 0.000 0.220 157 G C 0.811 175.729 174.900 0.030 0.000 1.200 157 G CA 0.269 45.485 45.100 0.193 0.000 0.834 157 G HN 0.518 nan 8.290 nan 0.000 0.524 158 A N 0.365 123.201 122.820 0.027 0.000 2.545 158 A HA 0.308 4.628 4.320 0.000 0.000 0.263 158 A C 0.991 178.381 177.584 -0.324 0.000 1.202 158 A CA -0.263 51.701 52.037 -0.122 0.000 0.959 158 A CB 0.009 19.035 19.000 0.043 0.000 1.124 158 A HN 0.411 nan 8.150 nan 0.000 0.543 159 N N 0.523 119.062 118.700 -0.268 0.000 2.418 159 N HA 0.041 4.781 4.740 0.000 0.000 0.283 159 N C 0.580 175.825 175.510 -0.443 0.000 1.267 159 N CA 0.191 53.087 53.050 -0.257 0.000 0.975 159 N CB -0.029 38.412 38.487 -0.076 0.000 1.167 159 N HN 0.109 nan 8.380 nan 0.000 0.581 160 N N -0.188 118.376 118.700 -0.227 0.000 2.142 160 N HA -0.150 4.590 4.740 0.000 0.000 0.186 160 N C 1.328 176.799 175.510 -0.066 0.000 1.023 160 N CA 1.464 54.434 53.050 -0.133 0.000 0.852 160 N CB -0.512 37.947 38.487 -0.047 0.000 0.998 160 N HN 0.390 nan 8.380 nan 0.000 0.424 161 M N 1.009 120.557 119.600 -0.088 0.000 2.065 161 M HA 0.026 4.506 4.480 0.000 0.000 0.259 161 M C 2.290 178.352 176.300 -0.397 0.000 1.069 161 M CA 1.663 56.877 55.300 -0.143 0.000 1.110 161 M CB -1.555 30.994 32.600 -0.085 0.000 1.328 161 M HN 0.371 nan 8.290 nan 0.000 0.405 162 A N -0.491 121.913 122.820 -0.692 0.000 1.917 162 A HA -0.222 4.098 4.320 0.000 0.000 0.219 162 A C 1.940 179.376 177.584 -0.246 0.000 1.182 162 A CA 1.893 53.471 52.037 -0.765 0.000 0.633 162 A CB -1.060 17.573 19.000 -0.613 0.000 0.819 162 A HN 0.521 nan 8.150 nan 0.000 0.448 163 H N -0.536 118.446 119.070 -0.147 0.000 2.389 163 H HA 0.002 4.558 4.556 0.000 0.000 0.299 163 H C 2.506 177.887 175.328 0.088 0.000 1.081 163 H CA 1.386 57.434 56.048 0.000 0.000 1.345 163 H CB -0.461 29.296 29.762 -0.009 0.000 1.393 163 H HN 0.456 nan 8.280 nan 0.000 0.520 164 S N -0.027 115.783 115.700 0.183 0.000 2.395 164 S HA 0.006 4.476 4.470 0.000 0.000 0.225 164 S C 2.344 176.967 174.600 0.038 0.000 1.027 164 S CA 0.290 58.570 58.200 0.134 0.000 0.965 164 S CB -0.023 63.250 63.200 0.122 0.000 0.812 164 S HN 0.191 nan 8.310 nan 0.000 0.482 165 L N 1.156 122.366 121.223 -0.022 0.000 2.141 165 L HA -0.077 4.263 4.340 0.000 0.000 0.209 165 L C 2.115 178.981 176.870 -0.007 0.000 1.094 165 L CA 0.807 55.630 54.840 -0.027 0.000 0.763 165 L CB -0.574 41.449 42.059 -0.061 0.000 0.908 165 L HN 0.274 nan 8.230 nan 0.000 0.437 166 L N -0.655 120.569 121.223 0.002 0.000 1.955 166 L HA -0.268 4.072 4.340 0.000 0.000 0.213 166 L C 2.479 179.358 176.870 0.015 0.000 1.072 166 L CA 1.595 56.448 54.840 0.022 0.000 0.755 166 L CB -0.560 41.529 42.059 0.051 0.000 0.888 166 L HN 0.210 nan 8.230 nan 0.000 0.432 167 L N -0.855 120.380 121.223 0.021 0.000 2.027 167 L HA -0.096 4.244 4.340 0.000 0.000 0.206 167 L C 2.633 179.487 176.870 -0.027 0.000 1.074 167 L CA 1.371 56.200 54.840 -0.017 0.000 0.745 167 L CB -1.056 40.966 42.059 -0.061 0.000 0.898 167 L HN 0.352 nan 8.230 nan 0.000 0.433 168 G N -0.603 108.188 108.800 -0.016 0.000 2.422 168 G HA2 -0.140 3.820 3.960 0.000 0.000 0.218 168 G HA3 -0.140 3.820 3.960 0.000 0.000 0.218 168 G C 1.560 176.454 174.900 -0.011 0.000 1.140 168 G CA 0.675 45.771 45.100 -0.007 0.000 0.775 168 G HN 0.480 nan 8.290 nan 0.000 0.545 169 G N 0.850 109.645 108.800 -0.010 0.000 2.414 169 G HA2 -0.135 3.825 3.960 0.000 0.000 0.215 169 G HA3 -0.135 3.825 3.960 0.000 0.000 0.215 169 G C 1.958 176.840 174.900 -0.031 0.000 1.188 169 G CA 1.995 47.087 45.100 -0.014 0.000 0.783 169 G HN 0.755 nan 8.290 nan 0.000 0.537 170 V N -1.389 118.508 119.914 -0.028 0.000 2.626 170 V HA -0.073 4.047 4.120 0.000 0.000 0.252 170 V C 2.559 178.626 176.094 -0.045 0.000 1.067 170 V CA 2.431 64.706 62.300 -0.042 0.000 1.081 170 V CB -1.213 30.596 31.823 -0.024 0.000 0.686 170 V HN 0.231 nan 8.190 nan 0.000 0.468 171 T N 1.518 116.050 114.554 -0.037 0.000 2.759 171 T HA -0.048 4.302 4.350 0.000 0.000 0.269 171 T C 1.898 176.572 174.700 -0.044 0.000 1.042 171 T CA 2.018 64.096 62.100 -0.037 0.000 1.140 171 T CB -0.497 68.352 68.868 -0.031 0.000 0.864 171 T HN 0.780 nan 8.240 nan 0.000 0.455 172 A N 0.235 123.028 122.820 -0.046 0.000 2.235 172 A HA 0.486 4.806 4.320 0.000 0.000 0.208 172 A C 1.866 179.411 177.584 -0.065 0.000 1.172 172 A CA 0.832 52.839 52.037 -0.050 0.000 0.786 172 A CB -0.832 18.143 19.000 -0.042 0.000 0.804 172 A HN 0.740 nan 8.150 nan 0.000 0.479 173 G N -0.793 107.957 108.800 -0.083 0.000 2.160 173 G HA2 -0.237 3.723 3.960 0.000 0.000 0.251 173 G HA3 -0.237 3.723 3.960 0.000 0.000 0.251 173 G C 0.061 174.835 174.900 -0.210 0.000 1.008 173 G CA 0.372 45.394 45.100 -0.130 0.000 0.724 173 G HN 0.489 nan 8.290 nan 0.000 0.514 174 I N 0.592 121.065 120.570 -0.161 0.000 2.428 174 I HA 0.268 4.438 4.170 0.000 0.000 0.289 174 I C 0.736 176.745 176.117 -0.179 0.000 1.019 174 I CA -0.932 60.276 61.300 -0.154 0.000 1.351 174 I CB 0.682 38.651 38.000 -0.052 0.000 1.412 174 I HN 0.130 nan 8.210 nan 0.000 0.513 175 H N 4.778 123.856 119.070 0.014 0.000 2.944 175 H HA 0.226 4.782 4.556 0.000 0.000 0.278 175 H C -0.565 174.772 175.328 0.015 0.000 1.083 175 H CA -0.296 55.761 56.048 0.014 0.000 1.479 175 H CB 0.371 30.142 29.762 0.015 0.000 1.486 175 H HN 0.222 nan 8.280 nan 0.000 0.493 176 V N 4.459 124.435 119.914 0.103 0.000 2.407 176 V HA 0.208 4.328 4.120 0.000 0.000 0.278 176 V C 0.497 176.624 176.094 0.054 0.000 1.037 176 V CA -0.474 61.864 62.300 0.064 0.000 0.900 176 V CB 1.576 33.421 31.823 0.036 0.000 0.983 176 V HN 0.764 nan 8.190 nan 0.000 0.459 177 T N 4.445 119.017 114.554 0.031 0.000 2.792 177 T HA 0.497 4.847 4.350 0.000 0.000 0.280 177 T C -0.397 174.284 174.700 -0.030 0.000 0.990 177 T CA -0.311 61.787 62.100 -0.002 0.000 0.960 177 T CB 1.577 70.430 68.868 -0.026 0.000 0.939 177 T HN 0.346 nan 8.240 nan 0.000 0.439 178 V N 3.282 123.195 119.914 -0.003 0.000 2.350 178 V HA 0.661 4.781 4.120 0.000 0.000 0.276 178 V C 0.267 176.349 176.094 -0.020 0.000 1.028 178 V CA -0.853 61.466 62.300 0.031 0.000 0.860 178 V CB 1.047 32.919 31.823 0.083 0.000 0.990 178 V HN 1.041 nan 8.190 nan 0.000 0.453 179 A N 4.728 127.474 122.820 -0.123 0.000 2.249 179 A HA 0.916 5.236 4.320 0.000 0.000 0.314 179 A C 0.103 177.666 177.584 -0.035 0.000 1.290 179 A CA -0.007 52.026 52.037 -0.006 0.000 0.893 179 A CB 0.725 19.715 19.000 -0.016 0.000 1.165 179 A HN 1.314 nan 8.150 nan 0.000 0.530 180 A N 4.129 126.857 122.820 -0.154 0.000 2.587 180 A HA 0.954 5.274 4.320 0.000 0.000 0.293 180 A C -3.162 174.080 177.584 -0.570 0.000 1.087 180 A CA -1.492 50.216 52.037 -0.549 0.000 0.692 180 A CB 1.491 20.415 19.000 -0.126 0.000 1.291 180 A HN 0.563 nan 8.150 nan 0.000 0.407 181 P HA 0.334 nan 4.420 nan 0.000 0.281 181 P C 0.355 177.631 177.300 -0.040 0.000 1.281 181 P CA 0.078 63.023 63.100 -0.259 0.000 0.811 181 P CB 0.715 32.176 31.700 -0.398 0.000 1.154 182 E N 0.630 120.824 120.200 -0.009 0.000 3.620 182 E HA -0.258 4.092 4.350 0.000 0.000 0.492 182 E C 1.272 177.821 176.600 -0.086 0.000 1.638 182 E CA 2.525 58.911 56.400 -0.024 0.000 1.200 182 E CB -1.808 27.874 29.700 -0.030 0.000 1.103 182 E HN 0.786 nan 8.360 nan 0.000 0.359 183 G N -1.022 107.632 108.800 -0.242 0.000 4.294 183 G HA2 0.420 4.380 3.960 0.000 0.000 0.301 183 G HA3 0.420 4.380 3.960 0.000 0.000 0.301 183 G C -0.224 174.241 174.900 -0.725 0.000 1.321 183 G CA -0.293 44.547 45.100 -0.432 0.000 1.190 183 G HN 0.100 nan 8.290 nan 0.000 0.600 184 F N 0.633 120.540 119.950 -0.072 0.000 2.677 184 F HA 0.406 4.933 4.527 0.000 0.000 0.388 184 F C 0.284 176.064 175.800 -0.033 0.000 1.400 184 F CA -0.694 57.283 58.000 -0.038 0.000 1.162 184 F CB 0.480 39.460 39.000 -0.034 0.000 1.135 184 F HN -0.030 nan 8.300 nan 0.000 0.516 185 L N 0.970 122.229 121.223 0.060 0.000 2.344 185 L HA 0.560 4.900 4.340 0.000 0.000 0.272 185 L C -2.201 174.714 176.870 0.074 0.000 1.035 185 L CA -2.230 52.644 54.840 0.057 0.000 0.807 185 L CB 0.831 42.905 42.059 0.025 0.000 1.237 185 L HN -0.148 nan 8.230 nan 0.000 0.442 186 P HA -0.109 nan 4.420 nan 0.000 0.263 186 P C -0.546 176.848 177.300 0.156 0.000 1.175 186 P CA 0.108 63.326 63.100 0.197 0.000 0.761 186 P CB 0.277 32.065 31.700 0.148 0.000 0.794 187 D N 4.912 125.449 120.400 0.228 0.000 2.487 187 D HA -0.047 4.593 4.640 0.000 0.000 0.243 187 D C -1.371 174.914 176.300 -0.025 0.000 1.154 187 D CA -1.224 52.797 54.000 0.035 0.000 0.876 187 D CB 0.602 41.356 40.800 -0.076 0.000 1.161 187 D HN 0.145 nan 8.370 nan 0.000 0.478 188 P HA -0.181 nan 4.420 nan 0.000 0.217 188 P C 1.438 178.724 177.300 -0.025 0.000 1.148 188 P CA 1.425 64.516 63.100 -0.015 0.000 0.828 188 P CB 0.110 31.802 31.700 -0.014 0.000 0.783 189 S N -1.684 113.992 115.700 -0.040 0.000 2.414 189 S HA -0.075 4.395 4.470 0.000 0.000 0.227 189 S C 1.876 176.453 174.600 -0.040 0.000 1.022 189 S CA 1.129 59.308 58.200 -0.035 0.000 0.958 189 S CB -1.479 61.702 63.200 -0.031 0.000 0.797 189 S HN -0.017 nan 8.310 nan 0.000 0.493 190 V N 1.923 121.787 119.914 -0.083 0.000 2.453 190 V HA 0.005 4.125 4.120 0.000 0.000 0.247 190 V C 2.873 178.949 176.094 -0.031 0.000 1.048 190 V CA 1.601 63.852 62.300 -0.082 0.000 1.049 190 V CB -0.876 30.778 31.823 -0.283 0.000 0.672 190 V HN 0.402 nan 8.190 nan 0.000 0.457 191 R N 0.470 120.959 120.500 -0.020 0.000 2.091 191 R HA -0.152 4.188 4.340 0.000 0.000 0.238 191 R C 2.479 178.779 176.300 0.001 0.000 1.136 191 R CA 1.612 57.715 56.100 0.005 0.000 0.959 191 R CB -0.609 29.698 30.300 0.012 0.000 0.856 191 R HN 0.539 nan 8.270 nan 0.000 0.437 192 A N 0.892 123.707 122.820 -0.007 0.000 1.902 192 A HA -0.126 4.194 4.320 0.000 0.000 0.217 192 A C 2.311 179.891 177.584 -0.007 0.000 1.181 192 A CA 1.771 53.804 52.037 -0.006 0.000 0.623 192 A CB -0.591 18.404 19.000 -0.008 0.000 0.818 192 A HN 0.426 nan 8.150 nan 0.000 0.443 193 A N -0.294 122.519 122.820 -0.013 0.000 1.872 193 A HA 0.270 4.590 4.320 0.000 0.000 0.214 193 A C 2.509 180.082 177.584 -0.017 0.000 1.187 193 A CA 1.783 53.809 52.037 -0.019 0.000 0.614 193 A CB -1.050 17.932 19.000 -0.031 0.000 0.826 193 A HN 1.057 nan 8.150 nan 0.000 0.442 194 A N -0.104 122.710 122.820 -0.010 0.000 1.940 194 A HA -0.220 4.100 4.320 0.000 0.000 0.219 194 A C 1.930 179.515 177.584 0.001 0.000 1.176 194 A CA 1.851 53.886 52.037 -0.004 0.000 0.631 194 A CB -0.521 18.485 19.000 0.010 0.000 0.814 194 A HN 0.656 nan 8.150 nan 0.000 0.446 195 E N -0.801 119.402 120.200 0.005 0.000 2.028 195 E HA -0.162 4.188 4.350 0.000 0.000 0.191 195 E C 2.372 178.975 176.600 0.005 0.000 0.988 195 E CA 0.928 57.334 56.400 0.009 0.000 0.799 195 E CB -0.178 29.529 29.700 0.010 0.000 0.755 195 E HN 0.517 nan 8.360 nan 0.000 0.447 196 R N 0.488 120.989 120.500 0.000 0.000 2.113 196 R HA -0.219 4.121 4.340 0.000 0.000 0.244 196 R C 2.452 178.750 176.300 -0.003 0.000 1.142 196 R CA 1.812 57.911 56.100 -0.002 0.000 0.953 196 R CB -0.216 30.080 30.300 -0.005 0.000 0.860 196 R HN -0.058 nan 8.270 nan 0.000 0.438 197 R N 0.688 121.183 120.500 -0.008 0.000 2.092 197 R HA -0.010 4.330 4.340 0.000 0.000 0.231 197 R C 1.869 178.163 176.300 -0.010 0.000 1.119 197 R CA 1.705 57.798 56.100 -0.012 0.000 0.970 197 R CB -0.581 29.707 30.300 -0.021 0.000 0.864 197 R HN 0.236 nan 8.270 nan 0.000 0.440 198 A N 0.255 123.072 122.820 -0.005 0.000 2.076 198 A HA -0.193 4.127 4.320 0.000 0.000 0.220 198 A C 1.990 179.576 177.584 0.003 0.000 1.160 198 A CA 1.537 53.572 52.037 -0.003 0.000 0.653 198 A CB -0.434 18.574 19.000 0.013 0.000 0.801 198 A HN 0.558 nan 8.150 nan 0.000 0.455 199 Q N -0.504 119.300 119.800 0.006 0.000 2.172 199 Q HA -0.128 4.212 4.340 0.000 0.000 0.200 199 Q C 0.855 176.858 176.000 0.004 0.000 0.964 199 Q CA 1.332 57.140 55.803 0.009 0.000 0.855 199 Q CB -0.012 28.731 28.738 0.009 0.000 0.918 199 Q HN 0.592 nan 8.270 nan 0.000 0.444 200 D N -0.901 119.498 120.400 -0.001 0.000 2.347 200 D HA -0.062 4.578 4.640 0.000 0.000 0.213 200 D C 1.438 177.733 176.300 -0.008 0.000 0.985 200 D CA 1.271 55.270 54.000 -0.003 0.000 0.879 200 D CB 0.241 41.039 40.800 -0.003 0.000 0.919 200 D HN 0.346 nan 8.370 nan 0.000 0.526 201 T N -4.375 110.171 114.554 -0.014 0.000 3.040 201 T HA 0.357 4.707 4.350 0.000 0.000 0.266 201 T C 1.528 176.208 174.700 -0.033 0.000 1.005 201 T CA 0.334 62.418 62.100 -0.027 0.000 0.906 201 T CB 0.686 69.528 68.868 -0.043 0.000 1.082 201 T HN 0.095 nan 8.240 nan 0.000 0.531 202 G N 1.431 110.224 108.800 -0.012 0.000 2.221 202 G HA2 0.042 4.003 3.960 0.000 0.000 0.265 202 G HA3 0.042 4.003 3.960 0.000 0.000 0.265 202 G C 0.325 175.220 174.900 -0.009 0.000 1.041 202 G CA 0.149 45.255 45.100 0.010 0.000 0.807 202 G HN 1.157 nan 8.290 nan 0.000 0.502 203 A N -0.872 121.915 122.820 -0.056 0.000 2.580 203 A HA 1.030 5.350 4.320 0.000 0.000 0.275 203 A C 0.703 178.352 177.584 0.108 0.000 1.321 203 A CA 0.634 52.574 52.037 -0.162 0.000 0.924 203 A CB 1.218 20.097 19.000 -0.203 0.000 1.512 203 A HN 2.076 nan 8.150 nan 0.000 0.492 204 S N -2.561 113.274 115.700 0.224 0.000 2.671 204 S HA 0.708 5.178 4.470 0.000 0.000 0.277 204 S C -1.404 173.270 174.600 0.123 0.000 1.165 204 S CA -0.576 57.741 58.200 0.195 0.000 0.822 204 S CB 1.140 64.473 63.200 0.222 0.000 1.150 204 S HN 1.108 nan 8.310 nan 0.000 0.479 205 V N 1.200 121.162 119.914 0.080 0.000 2.588 205 V HA 0.769 4.889 4.120 0.000 0.000 0.304 205 V C -0.820 175.301 176.094 0.046 0.000 1.042 205 V CA -0.345 61.988 62.300 0.055 0.000 0.877 205 V CB 1.740 33.586 31.823 0.039 0.000 0.996 205 V HN 1.098 nan 8.190 nan 0.000 0.425 206 T N 3.444 118.023 114.554 0.041 0.000 2.921 206 T HA 0.633 4.983 4.350 0.000 0.000 0.297 206 T C -0.809 173.908 174.700 0.027 0.000 1.013 206 T CA -0.543 61.575 62.100 0.031 0.000 0.990 206 T CB 1.903 70.787 68.868 0.026 0.000 1.023 206 T HN 0.329 nan 8.240 nan 0.000 0.447 207 V N 2.584 122.515 119.914 0.028 0.000 2.487 207 V HA 0.807 4.927 4.120 0.000 0.000 0.298 207 V C 0.080 176.195 176.094 0.035 0.000 1.028 207 V CA -0.528 61.790 62.300 0.031 0.000 0.860 207 V CB 1.774 33.617 31.823 0.033 0.000 0.991 207 V HN 1.007 nan 8.190 nan 0.000 0.427 208 T N 2.845 117.426 114.554 0.044 0.000 2.909 208 T HA 0.636 4.986 4.350 0.000 0.000 0.299 208 T C 0.677 175.445 174.700 0.113 0.000 1.073 208 T CA 0.348 62.487 62.100 0.065 0.000 0.999 208 T CB 1.981 70.885 68.868 0.060 0.000 1.098 208 T HN 0.781 nan 8.240 nan 0.000 0.477 209 A N 2.227 125.117 122.820 0.115 0.000 2.238 209 A HA 0.265 4.585 4.320 0.000 0.000 0.208 209 A C 0.612 178.309 177.584 0.188 0.000 1.177 209 A CA 0.292 52.432 52.037 0.172 0.000 0.804 209 A CB -0.163 18.899 19.000 0.104 0.000 0.823 209 A HN 0.694 nan 8.150 nan 0.000 0.482 210 D N -0.495 119.980 120.400 0.126 0.000 2.441 210 D HA 0.595 5.235 4.640 0.000 0.000 0.231 210 D C 0.922 177.255 176.300 0.055 0.000 1.073 210 D CA 0.275 54.298 54.000 0.038 0.000 0.850 210 D CB 1.460 42.286 40.800 0.042 0.000 1.062 210 D HN 0.021 nan 8.370 nan 0.000 0.524 211 A N 4.193 126.961 122.820 -0.087 0.000 1.930 211 A HA -0.184 4.136 4.320 0.000 0.000 0.217 211 A C 1.651 179.325 177.584 0.149 0.000 1.175 211 A CA 1.156 53.225 52.037 0.053 0.000 0.627 211 A CB -0.485 18.363 19.000 -0.253 0.000 0.815 211 A HN 0.675 nan 8.150 nan 0.000 0.443 212 H N -0.164 118.946 119.070 0.066 0.000 2.357 212 H HA 0.040 4.596 4.556 0.000 0.000 0.301 212 H C 2.536 177.913 175.328 0.081 0.000 1.082 212 H CA 1.146 57.230 56.048 0.059 0.000 1.342 212 H CB -0.796 28.974 29.762 0.012 0.000 1.389 212 H HN 0.495 nan 8.280 nan 0.000 0.511 213 A N 1.002 123.936 122.820 0.189 0.000 1.978 213 A HA -0.127 4.193 4.320 0.000 0.000 0.220 213 A C 2.619 180.277 177.584 0.123 0.000 1.170 213 A CA 1.901 54.012 52.037 0.125 0.000 0.636 213 A CB -0.684 18.368 19.000 0.086 0.000 0.810 213 A HN 0.453 nan 8.150 nan 0.000 0.448 214 A N -0.651 122.265 122.820 0.160 0.000 1.935 214 A HA 0.382 4.702 4.320 0.000 0.000 0.214 214 A C 2.440 180.170 177.584 0.243 0.000 1.178 214 A CA 1.462 53.576 52.037 0.128 0.000 0.640 214 A CB -0.815 18.190 19.000 0.007 0.000 0.825 214 A HN 0.951 nan 8.150 nan 0.000 0.447 215 A N 0.258 123.304 122.820 0.376 0.000 1.930 215 A HA 0.415 4.735 4.320 0.000 0.000 0.217 215 A C 1.607 179.298 177.584 0.179 0.000 1.175 215 A CA 0.947 53.183 52.037 0.332 0.000 0.627 215 A CB -1.095 18.056 19.000 0.252 0.000 0.815 215 A HN 1.153 nan 8.150 nan 0.000 0.443 216 A N -0.901 122.003 122.820 0.140 0.000 2.548 216 A HA 0.415 4.735 4.320 0.000 0.000 0.247 216 A C 1.714 179.341 177.584 0.070 0.000 1.067 216 A CA 0.676 52.763 52.037 0.084 0.000 0.757 216 A CB -0.950 18.089 19.000 0.066 0.000 0.996 216 A HN 2.105 nan 8.150 nan 0.000 0.504 217 G N 1.122 109.955 108.800 0.054 0.000 2.189 217 G HA2 0.068 4.028 3.960 0.000 0.000 0.267 217 G HA3 0.068 4.028 3.960 0.000 0.000 0.267 217 G C 0.643 175.577 174.900 0.058 0.000 0.975 217 G CA 0.725 45.853 45.100 0.045 0.000 0.644 217 G HN 2.242 nan 8.290 nan 0.000 0.537 218 A N -0.039 122.828 122.820 0.079 0.000 2.388 218 A HA 0.574 4.894 4.320 0.000 0.000 0.257 218 A C 1.090 178.723 177.584 0.081 0.000 1.095 218 A CA 0.616 52.709 52.037 0.093 0.000 0.791 218 A CB 0.395 19.476 19.000 0.135 0.000 1.029 218 A HN 0.210 nan 8.150 nan 0.000 0.489 219 D N 0.374 120.820 120.400 0.076 0.000 2.301 219 D HA 0.114 4.754 4.640 0.000 0.000 0.206 219 D C -0.128 176.209 176.300 0.062 0.000 0.979 219 D CA 1.213 55.250 54.000 0.061 0.000 0.874 219 D CB 0.468 41.300 40.800 0.054 0.000 0.968 219 D HN 0.256 nan 8.370 nan 0.000 0.510 220 V N 1.673 121.635 119.914 0.080 0.000 2.686 220 V HA 0.321 4.441 4.120 0.000 0.000 0.306 220 V C -0.886 175.287 176.094 0.132 0.000 1.065 220 V CA -0.809 61.541 62.300 0.084 0.000 0.894 220 V CB 2.549 34.413 31.823 0.068 0.000 1.004 220 V HN -0.137 nan 8.190 nan 0.000 0.424 221 L N 5.240 126.548 121.223 0.143 0.000 2.325 221 L HA 0.748 5.089 4.340 0.000 0.000 0.281 221 L C -0.302 176.677 176.870 0.182 0.000 1.004 221 L CA -0.121 54.864 54.840 0.242 0.000 0.823 221 L CB 1.966 44.138 42.059 0.189 0.000 1.236 221 L HN 0.508 nan 8.230 nan 0.000 0.415 222 V N 1.519 121.579 119.914 0.244 0.000 2.769 222 V HA 0.892 5.012 4.120 0.000 0.000 0.312 222 V C -0.016 176.132 176.094 0.090 0.000 1.061 222 V CA -0.496 61.898 62.300 0.157 0.000 0.931 222 V CB 1.913 33.868 31.823 0.220 0.000 1.010 222 V HN 0.784 nan 8.190 nan 0.000 0.433 223 T N 1.102 115.594 114.554 -0.103 0.000 2.681 223 T HA 0.621 4.971 4.350 0.000 0.000 0.296 223 T C -2.283 172.141 174.700 -0.460 0.000 1.157 223 T CA -0.272 61.630 62.100 -0.330 0.000 1.025 223 T CB 2.087 70.810 68.868 -0.242 0.000 1.441 223 T HN 0.952 nan 8.240 nan 0.000 0.504 224 D N -0.359 119.760 120.400 -0.469 0.000 2.663 224 D HA 0.354 4.994 4.640 0.000 0.000 0.233 224 D C -0.798 175.297 176.300 -0.342 0.000 1.240 224 D CA -0.112 53.646 54.000 -0.404 0.000 0.774 224 D CB 2.189 42.997 40.800 0.013 0.000 1.443 224 D HN 0.487 nan 8.370 nan 0.000 0.441 225 T N 1.925 116.317 114.554 -0.269 0.000 2.933 225 T HA 0.045 4.395 4.350 0.000 0.000 0.306 225 T C 0.133 174.707 174.700 -0.210 0.000 1.045 225 T CA 0.148 62.057 62.100 -0.319 0.000 1.143 225 T CB 0.027 68.697 68.868 -0.329 0.000 1.003 225 T HN 0.130 nan 8.240 nan 0.000 0.540 240 K N 2.754 123.151 120.400 -0.006 0.000 2.063 240 K HA 0.092 4.412 4.320 0.000 0.000 0.208 240 K C -0.136 176.386 176.600 -0.129 0.000 1.048 240 K CA 2.532 58.792 56.287 -0.045 0.000 0.928 240 K CB -0.879 31.609 32.500 -0.020 0.000 0.713 240 K HN 0.617 nan 8.250 nan 0.000 0.442 241 P HA -0.097 nan 4.420 nan 0.000 0.239 241 P C 0.399 177.444 177.300 -0.425 0.000 1.184 241 P CA 0.963 63.880 63.100 -0.305 0.000 0.760 241 P CB 0.058 31.530 31.700 -0.380 0.000 0.884 242 F N 0.112 119.793 119.950 -0.449 0.000 2.619 242 F HA 0.131 4.658 4.527 0.000 0.000 0.293 242 F C 2.379 177.914 175.800 -0.441 0.000 1.119 242 F CA 0.110 57.679 58.000 -0.720 0.000 1.445 242 F CB -0.378 37.440 39.000 -1.969 0.000 1.119 242 F HN -0.265 nan 8.300 nan 0.000 0.573 243 R N 0.653 121.044 120.500 -0.182 0.000 2.134 243 R HA -0.197 4.143 4.340 0.000 0.000 0.248 243 R C -0.487 175.849 176.300 0.061 0.000 1.143 243 R CA 1.705 57.825 56.100 0.032 0.000 0.957 243 R CB -2.568 27.747 30.300 0.024 0.000 0.867 243 R HN 0.249 nan 8.270 nan 0.000 0.441 244 P HA -0.084 nan 4.420 nan 0.000 0.222 244 P C 0.633 177.722 177.300 -0.352 0.000 1.147 244 P CA 1.023 63.953 63.100 -0.283 0.000 0.790 244 P CB -0.130 31.254 31.700 -0.526 0.000 0.780 245 F N -0.986 118.998 119.950 0.056 0.000 2.692 245 F HA 0.165 4.692 4.527 0.000 0.000 0.303 245 F C 1.293 177.200 175.800 0.178 0.000 1.114 245 F CA -0.308 57.782 58.000 0.150 0.000 1.361 245 F CB -0.654 38.473 39.000 0.212 0.000 1.063 245 F HN -0.098 nan 8.300 nan 0.000 0.550 246 Q N 1.542 121.508 119.800 0.277 0.000 2.289 246 Q HA 0.122 4.462 4.340 0.000 0.000 0.273 246 Q C -0.439 175.532 176.000 -0.048 0.000 1.029 246 Q CA -0.520 55.406 55.803 0.205 0.000 0.896 246 Q CB 0.676 29.533 28.738 0.198 0.000 1.182 246 Q HN 0.176 nan 8.270 nan 0.000 0.385 247 L N 5.835 126.985 121.223 -0.122 0.000 2.565 247 L HA 0.083 4.423 4.340 0.000 0.000 0.275 247 L C -0.446 176.352 176.870 -0.120 0.000 1.137 247 L CA 0.704 55.414 54.840 -0.216 0.000 0.915 247 L CB -0.408 41.534 42.059 -0.195 0.000 1.232 247 L HN 0.732 nan 8.230 nan 0.000 0.473 248 N N 0.001 118.634 118.700 -0.111 0.000 2.831 248 N HA 0.397 5.137 4.740 0.000 0.000 0.276 248 N C 0.519 175.995 175.510 -0.056 0.000 1.416 248 N CA -0.563 52.449 53.050 -0.062 0.000 0.799 248 N CB 0.536 39.004 38.487 -0.032 0.000 1.554 248 N HN 0.082 nan 8.380 nan 0.000 0.541 249 S N -0.535 115.144 115.700 -0.036 0.000 2.359 249 S HA -0.168 4.302 4.470 0.000 0.000 0.224 249 S C 1.563 176.147 174.600 -0.027 0.000 1.035 249 S CA 1.023 59.206 58.200 -0.029 0.000 1.018 249 S CB -0.447 62.741 63.200 -0.020 0.000 0.876 249 S HN 0.558 nan 8.310 nan 0.000 0.448 250 R N 0.602 121.091 120.500 -0.019 0.000 2.105 250 R HA -0.102 4.238 4.340 0.000 0.000 0.239 250 R C 2.277 178.569 176.300 -0.013 0.000 1.135 250 R CA 1.268 57.359 56.100 -0.014 0.000 0.967 250 R CB -0.505 29.797 30.300 0.004 0.000 0.861 250 R HN 0.379 nan 8.270 nan 0.000 0.442 251 L N 0.680 121.893 121.223 -0.017 0.000 2.044 251 L HA -0.113 4.227 4.340 0.000 0.000 0.205 251 L C 2.266 179.112 176.870 -0.039 0.000 1.075 251 L CA 1.178 56.004 54.840 -0.024 0.000 0.747 251 L CB -0.511 41.475 42.059 -0.121 0.000 0.903 251 L HN 0.186 nan 8.230 nan 0.000 0.435 252 L N 0.198 121.387 121.223 -0.056 0.000 2.046 252 L HA -0.085 4.255 4.340 0.000 0.000 0.208 252 L C 2.343 179.204 176.870 -0.015 0.000 1.077 252 L CA 2.039 56.856 54.840 -0.038 0.000 0.747 252 L CB -1.034 40.999 42.059 -0.042 0.000 0.896 252 L HN 0.261 nan 8.230 nan 0.000 0.432 253 A N -1.037 121.771 122.820 -0.019 0.000 2.248 253 A HA -0.021 4.299 4.320 0.000 0.000 0.210 253 A C 1.988 179.563 177.584 -0.015 0.000 1.174 253 A CA 1.160 53.188 52.037 -0.016 0.000 0.750 253 A CB -0.783 18.204 19.000 -0.022 0.000 0.780 253 A HN 0.534 nan 8.150 nan 0.000 0.478 254 L N -1.488 119.730 121.223 -0.009 0.000 2.567 254 L HA 0.230 4.570 4.340 0.000 0.000 0.225 254 L C 1.362 178.247 176.870 0.026 0.000 1.119 254 L CA 0.153 54.991 54.840 -0.003 0.000 0.871 254 L CB -0.507 41.549 42.059 -0.005 0.000 1.036 254 L HN 0.406 nan 8.230 nan 0.000 0.459 255 A N -0.276 122.564 122.820 0.033 0.000 2.242 255 A HA 0.167 4.487 4.320 0.000 0.000 0.304 255 A C -0.113 177.490 177.584 0.032 0.000 1.100 255 A CA -0.506 51.560 52.037 0.048 0.000 0.860 255 A CB 0.368 19.405 19.000 0.062 0.000 1.168 255 A HN 0.168 nan 8.150 nan 0.000 0.503 256 D N 0.020 120.442 120.400 0.036 0.000 2.506 256 D HA -0.034 4.606 4.640 0.000 0.000 0.234 256 D C 1.431 177.743 176.300 0.020 0.000 1.143 256 D CA 0.862 54.878 54.000 0.026 0.000 0.871 256 D CB 0.753 41.571 40.800 0.030 0.000 1.190 256 D HN 0.525 nan 8.370 nan 0.000 0.459 257 S N 2.234 117.942 115.700 0.014 0.000 2.507 257 S HA -0.139 4.331 4.470 0.000 0.000 0.235 257 S C 0.849 175.455 174.600 0.010 0.000 0.988 257 S CA 0.573 58.778 58.200 0.009 0.000 0.944 257 S CB 0.252 63.455 63.200 0.006 0.000 0.762 257 S HN 0.474 nan 8.310 nan 0.000 0.526 258 D N 1.620 122.028 120.400 0.014 0.000 2.349 258 D HA 0.388 5.028 4.640 0.000 0.000 0.214 258 D C 0.795 177.105 176.300 0.016 0.000 1.063 258 D CA 0.286 54.294 54.000 0.013 0.000 0.847 258 D CB 0.315 41.123 40.800 0.014 0.000 0.933 258 D HN 0.554 nan 8.370 nan 0.000 0.513 259 A N 1.342 124.174 122.820 0.020 0.000 2.561 259 A HA 0.264 4.584 4.320 0.000 0.000 0.234 259 A C 0.640 178.234 177.584 0.017 0.000 1.055 259 A CA 0.168 52.221 52.037 0.027 0.000 0.756 259 A CB -0.190 18.831 19.000 0.036 0.000 0.986 259 A HN 0.334 nan 8.150 nan 0.000 0.505 260 I N -0.690 119.891 120.570 0.019 0.000 2.982 260 I HA 0.817 4.987 4.170 0.000 0.000 0.312 260 I C -0.707 175.415 176.117 0.008 0.000 1.041 260 I CA -1.143 60.160 61.300 0.006 0.000 1.053 260 I CB 2.031 40.033 38.000 0.002 0.000 1.248 260 I HN 0.266 nan 8.210 nan 0.000 0.471 261 V N 4.236 124.141 119.914 -0.015 0.000 2.487 261 V HA 0.516 4.636 4.120 0.000 0.000 0.298 261 V C -0.167 175.905 176.094 -0.037 0.000 1.028 261 V CA -0.440 61.848 62.300 -0.020 0.000 0.860 261 V CB 1.682 33.479 31.823 -0.044 0.000 0.991 261 V HN 0.527 nan 8.190 nan 0.000 0.427 262 L N 4.528 125.746 121.223 -0.009 0.000 2.354 262 L HA 0.714 5.054 4.340 0.000 0.000 0.269 262 L C -0.822 176.057 176.870 0.016 0.000 1.005 262 L CA -0.712 54.122 54.840 -0.011 0.000 0.819 262 L CB 2.082 44.146 42.059 0.009 0.000 1.311 262 L HN 0.602 nan 8.230 nan 0.000 0.423 263 H N 0.978 119.987 119.070 -0.101 0.000 2.966 263 H HA 0.142 4.698 4.556 0.000 0.000 0.347 263 H C 0.212 175.491 175.328 -0.082 0.000 1.048 263 H CA -0.879 55.111 56.048 -0.097 0.000 1.295 263 H CB 2.202 31.864 29.762 -0.167 0.000 1.744 263 H HN 0.911 nan 8.280 nan 0.000 0.513 264 C N 3.875 123.261 119.300 0.143 0.000 2.456 264 C HA 0.328 4.788 4.460 0.000 0.000 0.279 264 C C 0.902 175.991 174.990 0.165 0.000 1.427 264 C CA -0.188 58.900 59.018 0.116 0.000 1.778 264 C CB -1.608 26.180 27.740 0.080 0.000 1.842 264 C HN 0.727 nan 8.230 nan 0.000 0.531 265 L N -1.134 120.278 121.223 0.316 0.000 0.586 265 L HA -0.064 4.276 4.340 0.000 0.000 0.356 265 L C -2.399 174.521 176.870 0.083 0.000 1.005 265 L CA -0.048 54.848 54.840 0.094 0.000 1.223 265 L CB -1.092 40.984 42.059 0.029 0.000 0.023 265 L HN 0.138 nan 8.230 nan 0.000 0.092 266 P HA 0.464 nan 4.420 nan 0.000 0.281 266 P C -0.955 176.192 177.300 -0.256 0.000 1.249 266 P CA -0.461 62.579 63.100 -0.101 0.000 0.810 266 P CB 1.412 33.078 31.700 -0.058 0.000 1.008 267 A N 1.861 124.426 122.820 -0.425 0.000 2.309 267 A HA 0.335 4.655 4.320 0.000 0.000 0.298 267 A C -0.413 177.036 177.584 -0.224 0.000 1.165 267 A CA -0.568 51.148 52.037 -0.534 0.000 0.821 267 A CB -0.248 18.320 19.000 -0.720 0.000 1.102 267 A HN 0.643 nan 8.150 nan 0.000 0.500 268 H N 2.254 121.226 119.070 -0.164 0.000 2.818 268 H HA 0.194 4.750 4.556 0.000 0.000 0.269 268 H C 0.028 175.256 175.328 -0.167 0.000 1.277 268 H CA -0.541 55.417 56.048 -0.151 0.000 1.290 268 H CB 0.304 29.966 29.762 -0.167 0.000 1.479 268 H HN 0.628 nan 8.280 nan 0.000 0.507 269 R N 1.228 121.720 120.500 -0.014 0.000 2.585 269 R HA 0.028 4.368 4.340 0.000 0.000 0.275 269 R C 1.083 177.359 176.300 -0.041 0.000 1.018 269 R CA 1.074 57.146 56.100 -0.046 0.000 1.072 269 R CB 0.345 30.627 30.300 -0.029 0.000 0.953 269 R HN 1.034 nan 8.270 nan 0.000 0.419 270 G N 1.908 110.678 108.800 -0.051 0.000 2.199 270 G HA2 -0.286 3.674 3.960 0.000 0.000 0.254 270 G HA3 -0.286 3.674 3.960 0.000 0.000 0.254 270 G C 0.008 174.879 174.900 -0.048 0.000 0.982 270 G CA 0.590 45.671 45.100 -0.032 0.000 0.632 270 G HN 0.641 nan 8.290 nan 0.000 0.529 271 D N -0.070 120.237 120.400 -0.155 0.000 2.838 271 D HA 0.203 4.843 4.640 0.000 0.000 0.245 271 D C 2.215 178.109 176.300 -0.677 0.000 1.424 271 D CA 0.466 54.238 54.000 -0.379 0.000 1.214 271 D CB -0.368 40.138 40.800 -0.490 0.000 0.937 271 D HN 0.227 nan 8.370 nan 0.000 0.232 272 E N 0.987 120.541 120.200 -1.077 0.000 2.338 272 E HA -0.055 4.295 4.350 0.000 0.000 0.197 272 E C 0.556 176.998 176.600 -0.263 0.000 1.007 272 E CA 0.650 56.556 56.400 -0.824 0.000 0.849 272 E CB 0.606 29.708 29.700 -0.997 0.000 0.774 272 E HN 0.381 nan 8.360 nan 0.000 0.506 273 I N 0.497 120.948 120.570 -0.198 0.000 3.004 273 I HA 0.184 4.354 4.170 0.000 0.000 0.305 273 I C -1.053 175.014 176.117 -0.083 0.000 1.312 273 I CA -0.601 60.642 61.300 -0.096 0.000 0.992 273 I CB 2.325 40.310 38.000 -0.025 0.000 1.282 273 I HN 0.020 nan 8.210 nan 0.000 0.449 274 T N -0.125 114.392 114.554 -0.061 0.000 2.940 274 T HA 0.352 4.702 4.350 0.000 0.000 0.288 274 T C 0.442 175.118 174.700 -0.040 0.000 1.033 274 T CA -0.693 61.381 62.100 -0.043 0.000 1.033 274 T CB 1.667 70.517 68.868 -0.029 0.000 1.079 274 T HN 0.514 nan 8.240 nan 0.000 0.496 275 D N 0.986 121.371 120.400 -0.025 0.000 2.133 275 D HA -0.160 4.480 4.640 0.000 0.000 0.195 275 D C 2.314 178.607 176.300 -0.010 0.000 0.997 275 D CA 1.780 55.773 54.000 -0.012 0.000 0.840 275 D CB -0.620 40.179 40.800 -0.001 0.000 0.947 275 D HN 0.755 nan 8.370 nan 0.000 0.452 276 A N 0.792 123.604 122.820 -0.014 0.000 1.865 276 A HA -0.176 4.144 4.320 0.000 0.000 0.217 276 A C 2.626 180.197 177.584 -0.022 0.000 1.191 276 A CA 1.757 53.786 52.037 -0.014 0.000 0.623 276 A CB -0.857 18.134 19.000 -0.015 0.000 0.826 276 A HN 0.169 nan 8.150 nan 0.000 0.444 277 V N -0.651 119.242 119.914 -0.035 0.000 2.379 277 V HA -0.232 3.889 4.120 0.000 0.000 0.245 277 V C 2.613 178.669 176.094 -0.063 0.000 1.044 277 V CA 2.199 64.470 62.300 -0.048 0.000 1.036 277 V CB -0.621 31.167 31.823 -0.058 0.000 0.664 277 V HN 0.708 nan 8.190 nan 0.000 0.453 278 M N -0.017 119.539 119.600 -0.073 0.000 2.296 278 M HA -0.127 4.353 4.480 0.000 0.000 0.265 278 M C 1.158 177.401 176.300 -0.095 0.000 1.064 278 M CA 1.734 56.962 55.300 -0.121 0.000 1.109 278 M CB -0.119 32.401 32.600 -0.133 0.000 1.396 278 M HN 0.249 nan 8.290 nan 0.000 0.430 279 D N 0.275 120.666 120.400 -0.015 0.000 2.369 279 D HA 0.209 4.849 4.640 0.000 0.000 0.211 279 D C 0.860 177.178 176.300 0.029 0.000 1.077 279 D CA 0.329 54.359 54.000 0.049 0.000 0.842 279 D CB 0.052 40.896 40.800 0.074 0.000 0.947 279 D HN 0.432 nan 8.370 nan 0.000 0.509 280 G N 1.811 110.608 108.800 -0.004 0.000 2.651 280 G HA2 0.198 4.158 3.960 0.000 0.000 0.260 280 G HA3 0.198 4.158 3.960 0.000 0.000 0.260 280 G C -1.298 173.600 174.900 -0.003 0.000 1.216 280 G CA -0.749 44.349 45.100 -0.003 0.000 0.913 280 G HN -0.092 nan 8.290 nan 0.000 0.535 281 P HA -0.028 nan 4.420 nan 0.000 0.228 281 P C 1.312 178.609 177.300 -0.005 0.000 1.151 281 P CA 1.282 64.384 63.100 0.004 0.000 0.770 281 P CB 0.263 31.966 31.700 0.005 0.000 0.786 282 A N -0.586 122.225 122.820 -0.015 0.000 2.132 282 A HA 0.083 4.403 4.320 0.000 0.000 0.213 282 A C 1.487 179.049 177.584 -0.038 0.000 1.154 282 A CA 0.187 52.212 52.037 -0.020 0.000 0.753 282 A CB -0.666 18.323 19.000 -0.019 0.000 0.826 282 A HN 0.216 nan 8.150 nan 0.000 0.469 283 S N 0.066 115.730 115.700 -0.060 0.000 2.531 283 S HA 0.451 4.921 4.470 0.000 0.000 0.279 283 S C 0.573 175.101 174.600 -0.120 0.000 1.305 283 S CA 0.207 58.337 58.200 -0.116 0.000 1.058 283 S CB 0.791 63.887 63.200 -0.173 0.000 0.899 283 S HN 0.766 nan 8.310 nan 0.000 0.493 284 A N 4.837 127.577 122.820 -0.134 0.000 2.631 284 A HA 0.377 4.697 4.320 0.000 0.000 0.294 284 A C 1.219 178.704 177.584 -0.166 0.000 1.156 284 A CA -0.336 51.639 52.037 -0.104 0.000 0.963 284 A CB -0.011 18.961 19.000 -0.046 0.000 1.202 284 A HN 0.671 nan 8.150 nan 0.000 0.523 285 V N -1.307 118.388 119.914 -0.366 0.000 2.427 285 V HA -0.255 3.865 4.120 0.000 0.000 0.248 285 V C 2.015 177.896 176.094 -0.355 0.000 1.051 285 V CA 2.126 64.129 62.300 -0.496 0.000 1.048 285 V CB -0.700 30.587 31.823 -0.894 0.000 0.666 285 V HN 0.911 nan 8.190 nan 0.000 0.456 286 W N -0.496 120.796 121.300 -0.014 0.000 2.523 286 W HA -0.011 4.649 4.660 0.000 0.000 0.278 286 W C 2.199 178.711 176.519 -0.012 0.000 1.236 286 W CA 0.171 57.502 57.345 -0.022 0.000 1.306 286 W CB -0.267 29.178 29.460 -0.026 0.000 1.101 286 W HN 0.212 nan 8.180 nan 0.000 0.577 287 D N 0.539 121.039 120.400 0.167 0.000 2.123 287 D HA -0.186 4.454 4.640 0.000 0.000 0.200 287 D C 1.792 178.138 176.300 0.076 0.000 0.976 287 D CA 1.366 55.434 54.000 0.114 0.000 0.831 287 D CB -0.574 40.273 40.800 0.079 0.000 0.974 287 D HN 0.284 nan 8.370 nan 0.000 0.469 288 E N 0.811 121.032 120.200 0.036 0.000 2.070 288 E HA -0.243 4.107 4.350 0.000 0.000 0.197 288 E C 1.972 178.584 176.600 0.021 0.000 1.004 288 E CA 1.362 57.769 56.400 0.012 0.000 0.805 288 E CB 0.003 29.690 29.700 -0.023 0.000 0.744 288 E HN 0.162 nan 8.360 nan 0.000 0.451 289 A N 1.217 124.070 122.820 0.054 0.000 1.865 289 A HA -0.289 4.031 4.320 0.000 0.000 0.217 289 A C 2.116 179.715 177.584 0.025 0.000 1.191 289 A CA 1.931 54.007 52.037 0.065 0.000 0.623 289 A CB -0.828 18.264 19.000 0.154 0.000 0.826 289 A HN 0.523 nan 8.150 nan 0.000 0.444 290 E N -0.094 120.133 120.200 0.045 0.000 2.070 290 E HA -0.261 4.089 4.350 0.000 0.000 0.197 290 E C 1.410 177.942 176.600 -0.113 0.000 1.004 290 E CA 1.541 57.937 56.400 -0.007 0.000 0.805 290 E CB -0.212 29.536 29.700 0.080 0.000 0.744 290 E HN 0.553 nan 8.360 nan 0.000 0.451 291 N N 0.549 119.241 118.700 -0.013 0.000 2.520 291 N HA -0.097 4.644 4.740 0.000 0.000 0.185 291 N C 1.430 176.875 175.510 -0.109 0.000 1.068 291 N CA 0.422 53.472 53.050 0.000 0.000 0.911 291 N CB -0.158 38.378 38.487 0.081 0.000 0.961 291 N HN 0.189 nan 8.380 nan 0.000 0.446 292 R N 0.441 120.867 120.500 -0.123 0.000 2.105 292 R HA -0.092 4.248 4.340 0.000 0.000 0.239 292 R C 1.854 178.011 176.300 -0.237 0.000 1.135 292 R CA 0.516 56.528 56.100 -0.147 0.000 0.967 292 R CB -0.822 29.421 30.300 -0.095 0.000 0.861 292 R HN 0.224 nan 8.270 nan 0.000 0.442 293 L N 1.004 122.043 121.223 -0.307 0.000 1.994 293 L HA -0.160 4.180 4.340 0.000 0.000 0.208 293 L C 2.270 178.944 176.870 -0.326 0.000 1.071 293 L CA 1.922 56.546 54.840 -0.359 0.000 0.745 293 L CB -0.859 40.938 42.059 -0.437 0.000 0.892 293 L HN 0.205 nan 8.230 nan 0.000 0.431 294 H N -0.589 118.450 119.070 -0.052 0.000 2.363 294 H HA 0.113 4.669 4.556 0.000 0.000 0.301 294 H C 2.113 177.405 175.328 -0.061 0.000 1.074 294 H CA 1.222 57.244 56.048 -0.042 0.000 1.354 294 H CB -0.689 29.058 29.762 -0.025 0.000 1.397 294 H HN 0.456 nan 8.280 nan 0.000 0.516 295 A N 1.530 124.352 122.820 0.003 0.000 1.902 295 A HA -0.192 4.128 4.320 0.000 0.000 0.217 295 A C 2.399 179.925 177.584 -0.097 0.000 1.181 295 A CA 1.523 53.531 52.037 -0.047 0.000 0.623 295 A CB -0.513 18.454 19.000 -0.056 0.000 0.818 295 A HN 0.424 nan 8.150 nan 0.000 0.443 296 Q N -0.393 119.302 119.800 -0.174 0.000 2.119 296 Q HA -0.137 4.203 4.340 0.000 0.000 0.201 296 Q C 2.059 177.996 176.000 -0.106 0.000 0.972 296 Q CA 1.378 57.029 55.803 -0.254 0.000 0.847 296 Q CB -0.174 28.113 28.738 -0.751 0.000 0.903 296 Q HN 0.570 nan 8.270 nan 0.000 0.433 297 K N 0.471 120.826 120.400 -0.074 0.000 2.032 297 K HA -0.140 4.180 4.320 0.000 0.000 0.209 297 K C 2.135 178.760 176.600 0.042 0.000 1.048 297 K CA 1.239 57.534 56.287 0.014 0.000 0.927 297 K CB -0.194 32.330 32.500 0.039 0.000 0.712 297 K HN 0.155 nan 8.250 nan 0.000 0.441 298 A N 1.444 124.279 122.820 0.025 0.000 1.902 298 A HA -0.157 4.163 4.320 0.000 0.000 0.217 298 A C 2.119 179.734 177.584 0.051 0.000 1.181 298 A CA 1.146 53.204 52.037 0.036 0.000 0.623 298 A CB -0.488 18.513 19.000 0.002 0.000 0.818 298 A HN 0.261 nan 8.150 nan 0.000 0.443 299 L N -0.902 120.311 121.223 -0.017 0.000 1.994 299 L HA -0.107 4.233 4.340 0.000 0.000 0.208 299 L C 2.198 179.133 176.870 0.109 0.000 1.071 299 L CA 1.762 56.572 54.840 -0.051 0.000 0.745 299 L CB -0.587 41.358 42.059 -0.190 0.000 0.892 299 L HN 0.264 nan 8.230 nan 0.000 0.431 300 L N -0.615 120.680 121.223 0.120 0.000 2.021 300 L HA -0.240 4.100 4.340 0.000 0.000 0.215 300 L C 2.558 179.505 176.870 0.129 0.000 1.074 300 L CA 2.005 56.934 54.840 0.149 0.000 0.760 300 L CB -1.047 41.112 42.059 0.167 0.000 0.889 300 L HN 0.200 nan 8.230 nan 0.000 0.433 301 V N -1.972 118.014 119.914 0.120 0.000 2.343 301 V HA -0.328 3.792 4.120 0.000 0.000 0.247 301 V C 2.146 178.307 176.094 0.112 0.000 1.051 301 V CA 1.979 64.338 62.300 0.099 0.000 1.036 301 V CB -0.814 31.064 31.823 0.092 0.000 0.654 301 V HN 0.718 nan 8.190 nan 0.000 0.451 302 W N 0.150 121.431 121.300 -0.031 0.000 2.388 302 W HA -0.103 4.557 4.660 0.000 0.000 0.294 302 W C 2.116 178.609 176.519 -0.042 0.000 1.212 302 W CA 1.339 58.657 57.345 -0.043 0.000 1.271 302 W CB -0.055 29.364 29.460 -0.069 0.000 1.126 302 W HN 0.144 nan 8.180 nan 0.000 0.535 303 L N 0.013 121.394 121.223 0.264 0.000 2.156 303 L HA -0.167 4.173 4.340 0.000 0.000 0.208 303 L C 2.369 179.208 176.870 -0.051 0.000 1.095 303 L CA 0.809 55.719 54.840 0.117 0.000 0.770 303 L CB -0.807 41.372 42.059 0.201 0.000 0.914 303 L HN 0.048 nan 8.230 nan 0.000 0.439 304 L N -0.003 121.209 121.223 -0.019 0.000 2.093 304 L HA -0.181 4.159 4.340 0.000 0.000 0.208 304 L C 2.692 179.505 176.870 -0.094 0.000 1.085 304 L CA 1.284 56.102 54.840 -0.037 0.000 0.755 304 L CB -0.416 41.644 42.059 0.002 0.000 0.904 304 L HN 0.395 nan 8.230 nan 0.000 0.435 305 E N 0.048 120.161 120.200 -0.145 0.000 2.347 305 E HA -0.199 4.151 4.350 0.000 0.000 0.196 305 E C 1.717 178.174 176.600 -0.238 0.000 1.008 305 E CA 0.644 56.939 56.400 -0.175 0.000 0.852 305 E CB -0.051 29.547 29.700 -0.170 0.000 0.783 305 E HN 0.430 nan 8.360 nan 0.000 0.505 306 R N 0.516 120.823 120.500 -0.323 0.000 2.427 306 R HA 0.253 4.593 4.340 0.000 0.000 0.262 306 R C -0.213 175.961 176.300 -0.209 0.000 0.943 306 R CA -0.097 55.802 56.100 -0.335 0.000 1.081 306 R CB 0.759 30.714 30.300 -0.575 0.000 1.166 306 R HN -0.005 nan 8.270 nan 0.000 0.534 307 S N 0.000 115.609 115.700 -0.152 0.000 2.498 307 S HA 0.000 4.470 4.470 0.000 0.000 0.327 307 S CA 0.000 58.134 58.200 -0.109 0.000 1.107 307 S CB 0.000 63.141 63.200 -0.098 0.000 0.593 307 S HN 0.000 nan 8.310 nan 0.000 0.517