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 2q9c_1_B DATA FIRST_RESID 1 DATA SEQUENCE MGFFDRLKAG LAKTRERLLK AIPWGGNLEE VLEELEMALL AADVGLSATE DATA SEQUENCE EILQEVRASG RKDLKEAVKE KLVGMLEPDX XXXXXXXXXX XXXKPKPVEP DATA SEQUENCE KGRVVLVVGV NGVGKTTTIA KLGRYYQNLG KKVMFCAGDT FRAAGGTQLS DATA SEQUENCE EWGKRLSIPV IQGPEGTDPA ALAYDAVQAM KARGYDLLFV DTAGRLHTKH DATA SEQUENCE NLMEELKKVK RAIAKADPEE PKEVWLVLDA VTGQNGLEQA KKFHEAVGLT DATA SEQUENCE GVIVTKLDGT AKGGVLIPIV RTLKVPIKFV GVGEGPDDLQ PFDPEAFVEA DATA SEQUENCE LLED VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.388 176.300 0.147 0.000 1.140 1 M CA 0.000 55.379 55.300 0.132 0.000 0.988 1 M CB 0.000 32.725 32.600 0.208 0.000 1.302 2 G N 0.293 109.206 108.800 0.188 0.000 2.408 2 G HA2 -0.046 3.914 3.960 0.000 0.000 0.213 2 G HA3 -0.046 3.914 3.960 0.000 0.000 0.213 2 G C 0.838 175.848 174.900 0.184 0.000 1.177 2 G CA 1.127 46.321 45.100 0.157 0.000 0.802 2 G HN 0.609 nan 8.290 nan 0.000 0.533 3 F N 0.050 120.048 119.950 0.081 0.000 2.335 3 F HA 0.351 4.878 4.527 0.000 0.000 0.296 3 F C 1.918 177.763 175.800 0.074 0.000 1.091 3 F CA -0.005 58.035 58.000 0.066 0.000 1.399 3 F CB -0.582 38.458 39.000 0.066 0.000 1.067 3 F HN 0.065 nan 8.300 nan 0.000 0.520 4 F N 1.584 120.877 119.950 -1.096 0.000 2.365 4 F HA -0.065 4.462 4.527 0.000 0.000 0.300 4 F C 2.138 177.672 175.800 -0.444 0.000 1.090 4 F CA 1.563 58.938 58.000 -1.042 0.000 1.408 4 F CB -0.546 38.029 39.000 -0.707 0.000 1.060 4 F HN 0.110 nan 8.300 nan 0.000 0.534 5 D N 0.173 120.466 120.400 -0.178 0.000 2.137 5 D HA -0.115 4.525 4.640 0.000 0.000 0.202 5 D C 2.128 178.312 176.300 -0.194 0.000 0.970 5 D CA 0.875 54.795 54.000 -0.133 0.000 0.837 5 D CB 0.088 40.882 40.800 -0.010 0.000 0.981 5 D HN 0.341 nan 8.370 nan 0.000 0.475 6 R N 0.023 120.433 120.500 -0.151 0.000 2.148 6 R HA -0.062 4.278 4.340 0.000 0.000 0.223 6 R C 2.205 178.407 176.300 -0.164 0.000 1.088 6 R CA 0.246 56.283 56.100 -0.106 0.000 0.985 6 R CB -0.099 30.192 30.300 -0.015 0.000 0.880 6 R HN 0.147 nan 8.270 nan 0.000 0.451 7 L N 1.473 122.515 121.223 -0.301 0.000 2.072 7 L HA -0.084 4.256 4.340 0.000 0.000 0.205 7 L C 1.887 178.524 176.870 -0.389 0.000 1.079 7 L CA 1.802 56.449 54.840 -0.322 0.000 0.752 7 L CB -0.271 41.501 42.059 -0.478 0.000 0.906 7 L HN -0.083 nan 8.230 nan 0.000 0.436 8 K N -0.243 119.823 120.400 -0.557 0.000 2.032 8 K HA -0.156 4.164 4.320 0.000 0.000 0.209 8 K C 2.030 178.472 176.600 -0.263 0.000 1.048 8 K CA 1.518 57.520 56.287 -0.476 0.000 0.927 8 K CB -0.508 31.709 32.500 -0.471 0.000 0.712 8 K HN 0.479 nan 8.250 nan 0.000 0.441 9 A N 0.989 123.690 122.820 -0.198 0.000 1.865 9 A HA -0.121 4.199 4.320 0.000 0.000 0.217 9 A C 2.474 180.000 177.584 -0.097 0.000 1.191 9 A CA 2.222 54.188 52.037 -0.119 0.000 0.623 9 A CB -1.304 17.645 19.000 -0.085 0.000 0.826 9 A HN 0.431 nan 8.150 nan 0.000 0.444 10 G N -0.587 108.158 108.800 -0.091 0.000 2.475 10 G HA2 -0.170 3.790 3.960 0.000 0.000 0.220 10 G HA3 -0.170 3.790 3.960 0.000 0.000 0.220 10 G C 1.366 176.235 174.900 -0.050 0.000 1.125 10 G CA 1.103 46.173 45.100 -0.050 0.000 0.755 10 G HN 0.447 nan 8.290 nan 0.000 0.565 11 L N 0.577 121.736 121.223 -0.106 0.000 2.592 11 L HA 0.270 4.610 4.340 0.000 0.000 0.227 11 L C 2.984 179.789 176.870 -0.108 0.000 1.127 11 L CA 0.186 54.952 54.840 -0.124 0.000 0.884 11 L CB 0.064 41.971 42.059 -0.254 0.000 1.065 11 L HN 0.276 nan 8.230 nan 0.000 0.457 12 A N 0.605 123.369 122.820 -0.093 0.000 1.908 12 A HA -0.273 4.048 4.320 0.000 0.000 0.218 12 A C 2.363 179.918 177.584 -0.049 0.000 1.181 12 A CA 1.996 53.989 52.037 -0.074 0.000 0.627 12 A CB -0.288 18.674 19.000 -0.064 0.000 0.818 12 A HN 0.355 nan 8.150 nan 0.000 0.445 13 K N -1.232 119.146 120.400 -0.036 0.000 2.097 13 K HA -0.092 4.228 4.320 0.000 0.000 0.205 13 K C 1.923 178.512 176.600 -0.018 0.000 1.050 13 K CA 1.652 57.926 56.287 -0.022 0.000 0.938 13 K CB -0.207 32.285 32.500 -0.013 0.000 0.718 13 K HN 0.439 nan 8.250 nan 0.000 0.442 14 T N 0.420 114.961 114.554 -0.023 0.000 2.857 14 T HA -0.070 4.280 4.350 0.000 0.000 0.266 14 T C 1.771 176.455 174.700 -0.027 0.000 1.048 14 T CA 0.908 62.999 62.100 -0.016 0.000 1.139 14 T CB -0.071 68.791 68.868 -0.010 0.000 0.874 14 T HN 0.272 nan 8.240 nan 0.000 0.455 15 R N 1.051 121.522 120.500 -0.048 0.000 2.073 15 R HA -0.010 4.330 4.340 0.000 0.000 0.229 15 R C 2.165 178.451 176.300 -0.023 0.000 1.120 15 R CA 1.189 57.263 56.100 -0.044 0.000 0.967 15 R CB -0.067 30.191 30.300 -0.071 0.000 0.862 15 R HN 0.431 nan 8.270 nan 0.000 0.436 16 E N -0.106 120.079 120.200 -0.025 0.000 2.267 16 E HA -0.213 4.137 4.350 0.000 0.000 0.197 16 E C 2.073 178.665 176.600 -0.013 0.000 0.998 16 E CA 0.968 57.358 56.400 -0.018 0.000 0.830 16 E CB 0.069 29.758 29.700 -0.019 0.000 0.751 16 E HN 0.261 nan 8.360 nan 0.000 0.491 17 R N -0.414 120.079 120.500 -0.012 0.000 2.073 17 R HA 0.004 4.344 4.340 0.000 0.000 0.229 17 R C 1.811 178.103 176.300 -0.013 0.000 1.120 17 R CA 1.111 57.205 56.100 -0.010 0.000 0.967 17 R CB 0.253 30.549 30.300 -0.007 0.000 0.862 17 R HN 0.119 nan 8.270 nan 0.000 0.436 18 L N -2.530 118.685 121.223 -0.013 0.000 2.877 18 L HA 0.116 4.456 4.340 0.000 0.000 0.275 18 L C 1.446 178.305 176.870 -0.018 0.000 1.027 18 L CA -0.094 54.733 54.840 -0.021 0.000 1.135 18 L CB -0.045 41.998 42.059 -0.025 0.000 2.080 18 L HN -0.011 nan 8.230 nan 0.000 0.560 19 L N 1.107 122.332 121.223 0.003 0.000 2.081 19 L HA -0.246 4.094 4.340 0.000 0.000 0.212 19 L C 2.377 179.285 176.870 0.063 0.000 1.080 19 L CA 1.714 56.577 54.840 0.038 0.000 0.754 19 L CB -0.471 41.615 42.059 0.046 0.000 0.893 19 L HN 0.264 nan 8.230 nan 0.000 0.433 20 K N 0.361 120.782 120.400 0.035 0.000 2.486 20 K HA -0.013 4.307 4.320 0.000 0.000 0.194 20 K C 1.134 177.755 176.600 0.035 0.000 1.033 20 K CA 0.763 57.076 56.287 0.044 0.000 1.004 20 K CB 0.173 32.682 32.500 0.015 0.000 0.798 20 K HN 0.282 nan 8.250 nan 0.000 0.495 21 A N 0.895 123.716 122.820 0.002 0.000 2.606 21 A HA 0.301 4.621 4.320 0.000 0.000 0.290 21 A C -0.068 177.468 177.584 -0.079 0.000 1.174 21 A CA -0.537 51.486 52.037 -0.023 0.000 0.958 21 A CB 0.164 19.146 19.000 -0.029 0.000 1.194 21 A HN 0.157 nan 8.150 nan 0.000 0.526 22 I N 2.931 123.425 120.570 -0.126 0.000 2.329 22 I HA 0.160 4.330 4.170 0.000 0.000 0.295 22 I C -2.029 173.806 176.117 -0.471 0.000 1.109 22 I CA -1.785 59.288 61.300 -0.379 0.000 1.297 22 I CB 1.090 38.703 38.000 -0.646 0.000 1.433 22 I HN 0.154 nan 8.210 nan 0.000 0.509 23 P HA -0.043 nan 4.420 nan 0.000 0.267 23 P C -0.225 176.938 177.300 -0.229 0.000 1.328 23 P CA -0.134 62.864 63.100 -0.170 0.000 0.990 23 P CB -0.041 31.600 31.700 -0.099 0.000 1.168 24 W N 2.884 124.182 121.300 -0.003 0.000 3.216 24 W HA 0.120 4.780 4.660 0.000 0.000 0.247 24 W C 2.098 178.615 176.519 -0.002 0.000 1.326 24 W CA 0.358 57.702 57.345 -0.002 0.000 1.564 24 W CB -0.903 28.556 29.460 -0.003 0.000 1.113 24 W HN 0.370 nan 8.180 nan 0.000 0.722 25 G N 1.001 109.876 108.800 0.125 0.000 2.547 25 G HA2 -0.054 3.906 3.960 0.000 0.000 0.221 25 G HA3 -0.054 3.906 3.960 0.000 0.000 0.221 25 G C 1.552 176.495 174.900 0.072 0.000 1.140 25 G CA 1.414 46.564 45.100 0.082 0.000 0.760 25 G HN 0.615 nan 8.290 nan 0.000 0.583 26 G N -1.157 107.678 108.800 0.057 0.000 2.370 26 G HA2 -0.222 3.738 3.960 0.000 0.000 0.174 26 G HA3 -0.222 3.738 3.960 0.000 0.000 0.174 26 G C 0.235 175.148 174.900 0.021 0.000 1.002 26 G CA 0.332 45.462 45.100 0.050 0.000 0.730 26 G HN 0.523 nan 8.290 nan 0.000 0.497 27 N N 2.073 120.772 118.700 -0.001 0.000 2.598 27 N HA 0.138 4.878 4.740 0.000 0.000 0.300 27 N C 2.048 177.549 175.510 -0.015 0.000 1.224 27 N CA 0.258 53.300 53.050 -0.013 0.000 1.125 27 N CB -0.194 38.276 38.487 -0.028 0.000 1.468 27 N HN 0.239 nan 8.380 nan 0.000 0.504 28 L N 2.135 123.359 121.223 0.001 0.000 2.255 28 L HA -0.321 4.019 4.340 0.000 0.000 0.236 28 L C 2.197 179.063 176.870 -0.007 0.000 1.129 28 L CA 2.091 56.935 54.840 0.006 0.000 0.853 28 L CB -1.067 40.997 42.059 0.008 0.000 0.942 28 L HN 0.437 nan 8.230 nan 0.000 0.451 29 E N -1.337 118.854 120.200 -0.015 0.000 2.102 29 E HA -0.125 4.225 4.350 0.000 0.000 0.190 29 E C 2.069 178.644 176.600 -0.042 0.000 0.971 29 E CA 0.743 57.130 56.400 -0.022 0.000 0.821 29 E CB -0.075 29.615 29.700 -0.017 0.000 0.777 29 E HN 0.478 nan 8.360 nan 0.000 0.460 30 E N 0.120 120.291 120.200 -0.049 0.000 2.097 30 E HA -0.181 4.169 4.350 0.000 0.000 0.196 30 E C 1.984 178.515 176.600 -0.114 0.000 1.000 30 E CA 1.406 57.764 56.400 -0.071 0.000 0.804 30 E CB -0.545 29.116 29.700 -0.065 0.000 0.740 30 E HN 0.179 nan 8.360 nan 0.000 0.454 31 V N -0.010 119.823 119.914 -0.134 0.000 2.270 31 V HA -0.215 3.905 4.120 0.000 0.000 0.245 31 V C 2.263 178.230 176.094 -0.213 0.000 1.043 31 V CA 1.956 64.114 62.300 -0.236 0.000 1.014 31 V CB -0.378 31.317 31.823 -0.213 0.000 0.645 31 V HN 0.401 nan 8.190 nan 0.000 0.447 32 L N 0.222 121.379 121.223 -0.110 0.000 1.989 32 L HA -0.184 4.156 4.340 0.000 0.000 0.211 32 L C 2.858 179.689 176.870 -0.067 0.000 1.071 32 L CA 2.359 57.161 54.840 -0.064 0.000 0.749 32 L CB -1.022 41.024 42.059 -0.021 0.000 0.890 32 L HN 0.441 nan 8.230 nan 0.000 0.431 33 E N 0.644 120.806 120.200 -0.064 0.000 2.160 33 E HA -0.249 4.102 4.350 0.000 0.000 0.195 33 E C 1.904 178.462 176.600 -0.071 0.000 0.991 33 E CA 1.507 57.874 56.400 -0.054 0.000 0.810 33 E CB 0.064 29.735 29.700 -0.048 0.000 0.742 33 E HN 0.556 nan 8.360 nan 0.000 0.466 34 E N 0.082 120.216 120.200 -0.111 0.000 2.107 34 E HA -0.151 4.199 4.350 0.000 0.000 0.191 34 E C 2.226 178.750 176.600 -0.127 0.000 0.982 34 E CA 0.555 56.877 56.400 -0.131 0.000 0.809 34 E CB -0.144 29.440 29.700 -0.193 0.000 0.756 34 E HN 0.152 nan 8.360 nan 0.000 0.459 35 L N 2.219 123.353 121.223 -0.148 0.000 2.046 35 L HA -0.212 4.128 4.340 0.000 0.000 0.208 35 L C 2.296 179.151 176.870 -0.025 0.000 1.077 35 L CA 2.001 56.789 54.840 -0.088 0.000 0.747 35 L CB -0.474 41.550 42.059 -0.058 0.000 0.896 35 L HN 0.130 nan 8.230 nan 0.000 0.432 36 E N -1.218 118.968 120.200 -0.024 0.000 2.072 36 E HA -0.247 4.103 4.350 0.000 0.000 0.191 36 E C 1.922 178.519 176.600 -0.005 0.000 0.985 36 E CA 1.459 57.856 56.400 -0.004 0.000 0.801 36 E CB -0.516 29.182 29.700 -0.004 0.000 0.750 36 E HN 0.409 nan 8.360 nan 0.000 0.452 37 M N 1.338 120.926 119.600 -0.019 0.000 2.117 37 M HA -0.009 4.471 4.480 0.000 0.000 0.262 37 M C 2.583 178.877 176.300 -0.009 0.000 1.065 37 M CA 1.693 56.984 55.300 -0.015 0.000 1.114 37 M CB -1.303 31.282 32.600 -0.025 0.000 1.361 37 M HN 0.305 nan 8.290 nan 0.000 0.408 38 A N 0.743 123.553 122.820 -0.016 0.000 1.902 38 A HA -0.116 4.204 4.320 0.000 0.000 0.217 38 A C 2.386 179.981 177.584 0.017 0.000 1.181 38 A CA 1.367 53.403 52.037 -0.003 0.000 0.623 38 A CB -0.971 18.023 19.000 -0.009 0.000 0.818 38 A HN 0.474 nan 8.150 nan 0.000 0.443 39 L N -0.615 120.624 121.223 0.026 0.000 2.017 39 L HA -0.191 4.149 4.340 0.000 0.000 0.208 39 L C 2.582 179.472 176.870 0.035 0.000 1.073 39 L CA 1.175 56.040 54.840 0.041 0.000 0.745 39 L CB -0.618 41.470 42.059 0.048 0.000 0.894 39 L HN 0.380 nan 8.230 nan 0.000 0.432 40 L N -0.332 120.905 121.223 0.023 0.000 2.083 40 L HA -0.172 4.168 4.340 0.000 0.000 0.209 40 L C 2.769 179.650 176.870 0.018 0.000 1.083 40 L CA 1.152 56.004 54.840 0.020 0.000 0.752 40 L CB -0.758 41.309 42.059 0.012 0.000 0.899 40 L HN 0.257 nan 8.230 nan 0.000 0.433 41 A N -0.185 122.643 122.820 0.014 0.000 2.119 41 A HA 0.083 4.403 4.320 0.000 0.000 0.217 41 A C 2.222 179.818 177.584 0.019 0.000 1.153 41 A CA 1.223 53.267 52.037 0.012 0.000 0.692 41 A CB -0.348 18.655 19.000 0.005 0.000 0.799 41 A HN 0.370 nan 8.150 nan 0.000 0.458 42 A N -1.337 121.500 122.820 0.028 0.000 2.275 42 A HA 0.362 4.682 4.320 0.000 0.000 0.212 42 A C 0.648 178.261 177.584 0.048 0.000 1.201 42 A CA 0.830 52.890 52.037 0.039 0.000 0.843 42 A CB -0.281 18.748 19.000 0.048 0.000 0.873 42 A HN 0.446 nan 8.150 nan 0.000 0.492 43 D N -2.049 118.373 120.400 0.037 0.000 2.775 43 D HA -0.132 4.508 4.640 0.000 0.000 0.235 43 D C 0.559 176.883 176.300 0.040 0.000 1.120 43 D CA 0.893 54.914 54.000 0.034 0.000 0.708 43 D CB -1.548 39.271 40.800 0.032 0.000 1.084 43 D HN 0.157 nan 8.370 nan 0.000 0.434 44 V N -0.314 119.627 119.914 0.046 0.000 2.951 44 V HA 0.334 4.454 4.120 0.000 0.000 0.255 44 V C 1.652 177.767 176.094 0.036 0.000 1.088 44 V CA 1.267 63.596 62.300 0.050 0.000 1.109 44 V CB -0.431 31.430 31.823 0.062 0.000 0.724 44 V HN 0.849 nan 8.190 nan 0.000 0.471 45 G N -0.419 108.399 108.800 0.030 0.000 2.692 45 G HA2 -0.117 3.843 3.960 0.000 0.000 0.686 45 G HA3 -0.117 3.843 3.960 0.000 0.000 0.686 45 G C -0.179 174.735 174.900 0.023 0.000 1.243 45 G CA -0.160 44.954 45.100 0.023 0.000 0.782 45 G HN 0.132 nan 8.290 nan 0.000 0.625 46 L N 1.318 122.552 121.223 0.019 0.000 2.027 46 L HA 0.092 4.432 4.340 0.000 0.000 0.206 46 L C 2.832 179.714 176.870 0.019 0.000 1.074 46 L CA 3.208 58.059 54.840 0.017 0.000 0.745 46 L CB -0.907 41.161 42.059 0.014 0.000 0.898 46 L HN 0.814 nan 8.230 nan 0.000 0.433 47 S N -0.032 115.679 115.700 0.018 0.000 2.359 47 S HA -0.218 4.252 4.470 0.000 0.000 0.223 47 S C 2.037 176.650 174.600 0.022 0.000 1.039 47 S CA 1.435 59.647 58.200 0.019 0.000 1.042 47 S CB -0.707 62.503 63.200 0.018 0.000 0.915 47 S HN 0.687 nan 8.310 nan 0.000 0.439 48 A N 0.540 123.375 122.820 0.025 0.000 1.968 48 A HA -0.032 4.288 4.320 0.000 0.000 0.217 48 A C 2.276 179.881 177.584 0.035 0.000 1.169 48 A CA 1.712 53.767 52.037 0.030 0.000 0.638 48 A CB -0.996 18.023 19.000 0.032 0.000 0.812 48 A HN 0.463 nan 8.150 nan 0.000 0.446 49 T N -0.071 114.502 114.554 0.033 0.000 2.777 49 T HA -0.108 4.242 4.350 0.000 0.000 0.266 49 T C 1.755 176.473 174.700 0.031 0.000 1.040 49 T CA 1.628 63.748 62.100 0.034 0.000 1.141 49 T CB -0.178 68.708 68.868 0.029 0.000 0.868 49 T HN 0.639 nan 8.240 nan 0.000 0.444 50 E N 0.556 120.772 120.200 0.025 0.000 2.152 50 E HA -0.108 4.242 4.350 0.000 0.000 0.192 50 E C 2.227 178.842 176.600 0.025 0.000 0.983 50 E CA 0.721 57.134 56.400 0.022 0.000 0.818 50 E CB -0.031 29.680 29.700 0.018 0.000 0.758 50 E HN 0.540 nan 8.360 nan 0.000 0.467 51 E N 0.705 120.922 120.200 0.027 0.000 2.106 51 E HA -0.166 4.185 4.350 0.000 0.000 0.192 51 E C 1.993 178.614 176.600 0.034 0.000 0.984 51 E CA 0.651 57.068 56.400 0.028 0.000 0.806 51 E CB 0.076 29.792 29.700 0.028 0.000 0.750 51 E HN 0.193 nan 8.360 nan 0.000 0.458 52 I N 0.700 121.295 120.570 0.040 0.000 2.202 52 I HA -0.272 3.898 4.170 0.000 0.000 0.242 52 I C 2.200 178.346 176.117 0.049 0.000 1.091 52 I CA 0.572 61.902 61.300 0.050 0.000 1.368 52 I CB -0.157 37.880 38.000 0.061 0.000 1.058 52 I HN 0.223 nan 8.210 nan 0.000 0.410 53 L N 0.414 121.663 121.223 0.043 0.000 2.012 53 L HA -0.252 4.088 4.340 0.000 0.000 0.210 53 L C 2.610 179.500 176.870 0.034 0.000 1.073 53 L CA 1.873 56.736 54.840 0.039 0.000 0.748 53 L CB -1.456 40.620 42.059 0.028 0.000 0.891 53 L HN 0.459 nan 8.230 nan 0.000 0.431 54 Q N 0.577 120.394 119.800 0.029 0.000 2.061 54 Q HA -0.285 4.055 4.340 0.000 0.000 0.204 54 Q C 2.005 178.021 176.000 0.028 0.000 0.984 54 Q CA 2.279 58.097 55.803 0.025 0.000 0.846 54 Q CB -0.007 28.744 28.738 0.022 0.000 0.902 54 Q HN 0.494 nan 8.270 nan 0.000 0.421 55 E N -0.451 119.768 120.200 0.031 0.000 2.130 55 E HA -0.147 4.203 4.350 0.000 0.000 0.196 55 E C 1.870 178.492 176.600 0.036 0.000 0.998 55 E CA 1.798 58.217 56.400 0.032 0.000 0.806 55 E CB -0.074 29.648 29.700 0.035 0.000 0.738 55 E HN 0.260 nan 8.360 nan 0.000 0.459 56 V N 0.604 120.544 119.914 0.044 0.000 2.599 56 V HA -0.048 4.072 4.120 0.000 0.000 0.245 56 V C 2.356 178.477 176.094 0.045 0.000 1.046 56 V CA 1.202 63.533 62.300 0.052 0.000 1.065 56 V CB -0.452 31.416 31.823 0.074 0.000 0.703 56 V HN 0.187 nan 8.190 nan 0.000 0.464 57 R N 1.367 121.889 120.500 0.038 0.000 2.094 57 R HA -0.050 4.290 4.340 0.000 0.000 0.239 57 R C 1.345 177.661 176.300 0.027 0.000 1.137 57 R CA 1.434 57.552 56.100 0.030 0.000 0.943 57 R CB -0.902 29.412 30.300 0.024 0.000 0.850 57 R HN 0.478 nan 8.270 nan 0.000 0.433 58 A N 1.591 124.426 122.820 0.025 0.000 2.410 58 A HA 0.187 4.507 4.320 0.000 0.000 0.292 58 A C 0.326 177.924 177.584 0.022 0.000 1.232 58 A CA 0.328 52.378 52.037 0.021 0.000 0.893 58 A CB 0.233 19.245 19.000 0.019 0.000 1.131 58 A HN 0.351 nan 8.150 nan 0.000 0.530 59 S N 1.724 117.437 115.700 0.021 0.000 3.625 59 S HA -0.036 4.434 4.470 0.000 0.000 0.426 59 S C 0.389 175.004 174.600 0.025 0.000 0.884 59 S CA 1.152 59.364 58.200 0.020 0.000 1.322 59 S CB -1.347 61.863 63.200 0.017 0.000 0.905 59 S HN 2.499 nan 8.310 nan 0.000 0.586 60 G N 1.789 110.606 108.800 0.030 0.000 4.341 60 G HA2 0.510 4.470 3.960 0.000 0.000 0.252 60 G HA3 0.510 4.470 3.960 0.000 0.000 0.252 60 G C -0.092 174.836 174.900 0.046 0.000 2.181 60 G CA -0.388 44.736 45.100 0.039 0.000 0.602 60 G HN 0.402 nan 8.290 nan 0.000 0.346 61 R N 0.195 120.719 120.500 0.040 0.000 2.492 61 R HA 0.318 4.658 4.340 0.000 0.000 0.219 61 R C 2.121 178.447 176.300 0.044 0.000 0.886 61 R CA 0.292 56.418 56.100 0.043 0.000 1.003 61 R CB 0.078 30.397 30.300 0.032 0.000 1.345 61 R HN 0.405 nan 8.270 nan 0.000 0.631 62 K N 0.562 120.982 120.400 0.033 0.000 1.992 62 K HA -0.115 4.205 4.320 0.000 0.000 0.227 62 K C 0.306 176.924 176.600 0.030 0.000 1.016 62 K CA 1.595 57.898 56.287 0.025 0.000 1.059 62 K CB -0.294 32.215 32.500 0.015 0.000 0.752 62 K HN -0.045 nan 8.250 nan 0.000 0.449 63 D N 1.269 121.680 120.400 0.018 0.000 2.518 63 D HA 0.011 4.651 4.640 0.000 0.000 0.230 63 D C 0.947 177.259 176.300 0.019 0.000 1.138 63 D CA -0.090 53.914 54.000 0.008 0.000 0.964 63 D CB 0.593 41.378 40.800 -0.026 0.000 1.011 63 D HN 0.149 nan 8.370 nan 0.000 0.517 64 L N 3.703 124.977 121.223 0.085 0.000 1.991 64 L HA -0.217 4.123 4.340 0.000 0.000 0.221 64 L C 2.059 178.994 176.870 0.109 0.000 1.079 64 L CA 1.913 56.851 54.840 0.164 0.000 0.778 64 L CB -0.540 41.697 42.059 0.298 0.000 0.893 64 L HN 0.415 nan 8.230 nan 0.000 0.437 65 K N -0.893 119.453 120.400 -0.091 0.000 2.147 65 K HA -0.207 4.113 4.320 0.000 0.000 0.205 65 K C 2.005 178.367 176.600 -0.397 0.000 1.049 65 K CA 1.196 57.040 56.287 -0.739 0.000 0.936 65 K CB 0.007 31.685 32.500 -1.370 0.000 0.722 65 K HN 0.261 nan 8.250 nan 0.000 0.446 66 E N 0.373 120.441 120.200 -0.220 0.000 2.047 66 E HA -0.134 4.216 4.350 0.000 0.000 0.191 66 E C 1.824 178.377 176.600 -0.078 0.000 0.987 66 E CA 1.180 57.496 56.400 -0.141 0.000 0.799 66 E CB -0.097 29.546 29.700 -0.095 0.000 0.752 66 E HN 0.406 nan 8.360 nan 0.000 0.449 67 A N 0.655 123.452 122.820 -0.038 0.000 1.902 67 A HA -0.136 4.184 4.320 0.000 0.000 0.217 67 A C 2.578 180.169 177.584 0.012 0.000 1.181 67 A CA 1.509 53.546 52.037 -0.000 0.000 0.623 67 A CB -0.705 18.310 19.000 0.025 0.000 0.818 67 A HN 0.162 nan 8.150 nan 0.000 0.443 68 V N 0.319 120.244 119.914 0.018 0.000 2.233 68 V HA -0.333 3.787 4.120 0.000 0.000 0.247 68 V C 2.474 178.582 176.094 0.023 0.000 1.050 68 V CA 2.507 64.840 62.300 0.055 0.000 1.010 68 V CB -0.775 31.123 31.823 0.126 0.000 0.637 68 V HN 0.571 nan 8.190 nan 0.000 0.444 69 K N -0.247 120.129 120.400 -0.040 0.000 2.074 69 K HA -0.282 4.038 4.320 0.000 0.000 0.209 69 K C 2.237 178.840 176.600 0.005 0.000 1.048 69 K CA 2.008 58.279 56.287 -0.027 0.000 0.926 69 K CB -0.265 32.189 32.500 -0.077 0.000 0.713 69 K HN 0.574 nan 8.250 nan 0.000 0.444 70 E N 1.144 121.342 120.200 -0.004 0.000 2.085 70 E HA -0.264 4.086 4.350 0.000 0.000 0.194 70 E C 1.987 178.603 176.600 0.026 0.000 0.994 70 E CA 1.465 57.870 56.400 0.008 0.000 0.801 70 E CB 0.121 29.821 29.700 0.001 0.000 0.743 70 E HN 0.015 nan 8.360 nan 0.000 0.453 71 K N 0.620 121.040 120.400 0.034 0.000 2.031 71 K HA -0.077 4.243 4.320 0.000 0.000 0.205 71 K C 2.080 178.714 176.600 0.057 0.000 1.049 71 K CA 1.197 57.511 56.287 0.044 0.000 0.939 71 K CB -0.448 32.082 32.500 0.049 0.000 0.717 71 K HN 0.160 nan 8.250 nan 0.000 0.438 72 L N 0.084 121.349 121.223 0.070 0.000 2.012 72 L HA -0.205 4.135 4.340 0.000 0.000 0.210 72 L C 2.308 179.240 176.870 0.102 0.000 1.073 72 L CA 1.292 56.189 54.840 0.095 0.000 0.748 72 L CB -0.654 41.473 42.059 0.113 0.000 0.891 72 L HN 0.006 nan 8.230 nan 0.000 0.431 73 V N 0.364 120.331 119.914 0.089 0.000 2.332 73 V HA -0.258 3.862 4.120 0.000 0.000 0.248 73 V C 2.601 178.740 176.094 0.075 0.000 1.055 73 V CA 2.082 64.436 62.300 0.090 0.000 1.038 73 V CB -1.268 30.591 31.823 0.060 0.000 0.651 73 V HN 0.613 nan 8.190 nan 0.000 0.450 74 G N -0.781 108.053 108.800 0.057 0.000 2.422 74 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 74 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 74 G C 1.493 176.421 174.900 0.047 0.000 1.146 74 G CA 0.811 45.939 45.100 0.046 0.000 0.769 74 G HN 0.352 nan 8.290 nan 0.000 0.547 75 M N 0.149 119.781 119.600 0.055 0.000 2.213 75 M HA 0.116 4.596 4.480 0.000 0.000 0.263 75 M C 2.178 178.503 176.300 0.042 0.000 1.062 75 M CA 0.864 56.192 55.300 0.047 0.000 1.105 75 M CB -0.780 31.854 32.600 0.057 0.000 1.385 75 M HN 0.170 nan 8.290 nan 0.000 0.417 76 L N -0.363 120.900 121.223 0.067 0.000 2.612 76 L HA 0.052 4.392 4.340 0.000 0.000 0.230 76 L C 0.002 176.909 176.870 0.062 0.000 1.140 76 L CA 0.060 54.940 54.840 0.067 0.000 0.896 76 L CB -0.149 42.010 42.059 0.166 0.000 1.065 76 L HN 0.208 nan 8.230 nan 0.000 0.447 77 E N -0.459 119.769 120.200 0.046 0.000 2.191 77 E HA 0.205 4.555 4.350 0.000 0.000 0.263 77 E C -1.732 174.878 176.600 0.017 0.000 0.881 77 E CA -1.672 54.751 56.400 0.037 0.000 0.757 77 E CB 1.972 31.700 29.700 0.046 0.000 1.147 77 E HN -0.102 nan 8.360 nan 0.000 0.414 78 P HA -0.124 nan 4.420 nan 0.000 0.213 78 P C 0.294 177.604 177.300 0.017 0.000 1.170 78 P CA 0.712 63.814 63.100 0.004 0.000 0.889 78 P CB 0.247 31.943 31.700 -0.006 0.000 0.782 95 P HA 0.176 nan 4.420 nan 0.000 0.286 95 P C -1.413 175.723 177.300 -0.273 0.000 1.269 95 P CA -0.378 62.354 63.100 -0.614 0.000 0.787 95 P CB 0.989 32.229 31.700 -0.767 0.000 0.920 96 K N 4.367 124.664 120.400 -0.171 0.000 2.211 96 K HA 0.393 4.713 4.320 0.000 0.000 0.275 96 K C -2.315 174.267 176.600 -0.031 0.000 1.024 96 K CA -1.955 54.282 56.287 -0.082 0.000 0.887 96 K CB 0.450 32.914 32.500 -0.060 0.000 1.084 96 K HN 0.238 nan 8.250 nan 0.000 0.463 97 P HA -0.096 nan 4.420 nan 0.000 0.265 97 P C -0.879 176.513 177.300 0.154 0.000 1.187 97 P CA -0.332 62.856 63.100 0.146 0.000 0.766 97 P CB 0.516 32.261 31.700 0.076 0.000 0.820 98 V N 4.142 124.173 119.914 0.195 0.000 2.521 98 V HA 0.015 4.136 4.120 0.000 0.000 0.286 98 V C 0.741 177.116 176.094 0.469 0.000 1.034 98 V CA 0.389 62.803 62.300 0.190 0.000 1.045 98 V CB 0.132 31.914 31.823 -0.068 0.000 0.974 98 V HN 0.463 nan 8.190 nan 0.000 0.480 99 E N 6.160 126.546 120.200 0.309 0.000 2.055 99 E HA 0.353 4.703 4.350 0.000 0.000 0.274 99 E C -2.355 174.390 176.600 0.241 0.000 0.949 99 E CA -2.081 54.485 56.400 0.276 0.000 0.775 99 E CB 1.262 31.057 29.700 0.158 0.000 1.097 99 E HN 0.488 nan 8.360 nan 0.000 0.404 100 P HA 0.018 nan 4.420 nan 0.000 0.266 100 P C 0.758 178.062 177.300 0.006 0.000 1.195 100 P CA 0.016 63.154 63.100 0.063 0.000 0.768 100 P CB 0.956 32.519 31.700 -0.229 0.000 0.838 101 K N 1.334 121.742 120.400 0.012 0.000 2.217 101 K HA 0.019 4.340 4.320 0.000 0.000 0.202 101 K C 1.000 177.574 176.600 -0.044 0.000 1.051 101 K CA 1.136 57.426 56.287 0.005 0.000 0.952 101 K CB -0.093 32.426 32.500 0.030 0.000 0.736 101 K HN 0.683 nan 8.250 nan 0.000 0.453 102 G N -1.013 107.728 108.800 -0.098 0.000 3.247 102 G HA2 0.247 4.207 3.960 0.000 0.000 0.226 102 G HA3 0.247 4.207 3.960 0.000 0.000 0.226 102 G C -0.102 174.694 174.900 -0.174 0.000 1.220 102 G CA -0.537 44.493 45.100 -0.116 0.000 0.875 102 G HN 0.034 nan 8.290 nan 0.000 0.606 103 R N -1.569 118.827 120.500 -0.173 0.000 2.206 103 R HA 0.274 4.614 4.340 0.000 0.000 0.198 103 R C 0.194 176.326 176.300 -0.280 0.000 0.986 103 R CA 0.186 56.164 56.100 -0.203 0.000 1.029 103 R CB 0.407 30.625 30.300 -0.138 0.000 0.966 103 R HN 0.187 nan 8.270 nan 0.000 0.487 104 V N 1.800 121.557 119.914 -0.261 0.000 2.439 104 V HA 0.257 4.377 4.120 0.000 0.000 0.282 104 V C -0.250 175.613 176.094 -0.386 0.000 1.039 104 V CA -0.621 61.504 62.300 -0.292 0.000 0.913 104 V CB 1.958 33.666 31.823 -0.192 0.000 0.983 104 V HN -0.150 nan 8.190 nan 0.000 0.460 105 V N 6.086 125.709 119.914 -0.486 0.000 2.376 105 V HA 0.361 4.481 4.120 0.000 0.000 0.287 105 V C -0.412 175.510 176.094 -0.288 0.000 1.015 105 V CA -0.537 61.431 62.300 -0.552 0.000 0.834 105 V CB 1.550 32.876 31.823 -0.829 0.000 1.001 105 V HN 0.663 nan 8.190 nan 0.000 0.428 106 L N 7.397 128.493 121.223 -0.213 0.000 2.260 106 L HA 0.550 4.890 4.340 0.000 0.000 0.289 106 L C -0.249 176.602 176.870 -0.031 0.000 1.057 106 L CA 0.325 55.114 54.840 -0.086 0.000 0.811 106 L CB 1.333 43.361 42.059 -0.051 0.000 1.184 106 L HN 0.443 nan 8.230 nan 0.000 0.429 107 V N 6.557 126.478 119.914 0.011 0.000 2.347 107 V HA 0.600 4.720 4.120 0.000 0.000 0.280 107 V C 0.040 176.118 176.094 -0.026 0.000 1.021 107 V CA -0.435 61.890 62.300 0.042 0.000 0.847 107 V CB 1.343 33.207 31.823 0.068 0.000 0.990 107 V HN 0.664 nan 8.190 nan 0.000 0.444 108 V N 1.918 121.779 119.914 -0.088 0.000 3.126 108 V HA 1.168 5.288 4.120 0.000 0.000 0.314 108 V C 0.124 175.934 176.094 -0.473 0.000 1.138 108 V CA -0.218 61.932 62.300 -0.251 0.000 1.034 108 V CB 1.603 33.272 31.823 -0.257 0.000 1.075 108 V HN 1.447 nan 8.190 nan 0.000 0.442 109 G N -0.303 108.012 108.800 -0.809 0.000 2.347 109 G HA2 0.521 4.481 3.960 0.000 0.000 0.321 109 G HA3 0.521 4.481 3.960 0.000 0.000 0.321 109 G C -0.912 173.887 174.900 -0.169 0.000 1.412 109 G CA -0.069 44.609 45.100 -0.704 0.000 0.990 109 G HN 2.136 nan 8.290 nan 0.000 0.637 110 V N -0.896 119.053 119.914 0.058 0.000 2.834 110 V HA 0.596 4.716 4.120 0.000 0.000 0.301 110 V C 0.794 176.928 176.094 0.068 0.000 1.066 110 V CA -0.631 61.767 62.300 0.162 0.000 1.052 110 V CB 0.925 32.856 31.823 0.180 0.000 1.021 110 V HN 0.824 nan 8.190 nan 0.000 0.480 111 N N 1.888 120.632 118.700 0.073 0.000 2.374 111 N HA 0.379 5.119 4.740 0.000 0.000 0.241 111 N C 1.261 176.793 175.510 0.037 0.000 1.262 111 N CA 0.916 53.995 53.050 0.048 0.000 0.880 111 N CB 0.408 38.928 38.487 0.056 0.000 1.105 111 N HN 1.415 nan 8.380 nan 0.000 0.438 112 G N -0.423 108.392 108.800 0.026 0.000 2.267 112 G HA2 -0.310 3.650 3.960 0.000 0.000 0.257 112 G HA3 -0.310 3.650 3.960 0.000 0.000 0.257 112 G C 0.798 175.704 174.900 0.010 0.000 0.998 112 G CA 0.358 45.471 45.100 0.021 0.000 0.620 112 G HN 0.486 nan 8.290 nan 0.000 0.529 113 V N 0.983 120.898 119.914 0.001 0.000 3.305 113 V HA 0.396 4.516 4.120 0.000 0.000 0.269 113 V C 2.005 178.081 176.094 -0.031 0.000 1.157 113 V CA 2.705 64.996 62.300 -0.015 0.000 1.157 113 V CB -0.414 31.392 31.823 -0.027 0.000 0.772 113 V HN 2.268 nan 8.190 nan 0.000 0.498 114 G N 0.010 108.794 108.800 -0.027 0.000 2.207 114 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 114 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 114 G C 0.588 175.444 174.900 -0.074 0.000 1.053 114 G CA 0.447 45.523 45.100 -0.041 0.000 0.764 114 G HN 0.464 nan 8.290 nan 0.000 0.495 115 K N -0.687 119.672 120.400 -0.069 0.000 2.057 115 K HA -0.046 4.274 4.320 0.000 0.000 0.206 115 K C 2.587 179.106 176.600 -0.135 0.000 1.050 115 K CA 1.763 57.992 56.287 -0.096 0.000 0.935 115 K CB -0.176 32.277 32.500 -0.077 0.000 0.715 115 K HN 0.361 nan 8.250 nan 0.000 0.439 116 T N 0.617 115.114 114.554 -0.095 0.000 2.821 116 T HA -0.100 4.250 4.350 0.000 0.000 0.267 116 T C 1.912 176.477 174.700 -0.226 0.000 1.046 116 T CA 1.559 63.592 62.100 -0.111 0.000 1.139 116 T CB -0.241 68.653 68.868 0.043 0.000 0.871 116 T HN 0.231 nan 8.240 nan 0.000 0.454 117 T N 1.668 116.126 114.554 -0.160 0.000 2.821 117 T HA -0.074 4.276 4.350 0.000 0.000 0.267 117 T C 2.286 176.738 174.700 -0.413 0.000 1.046 117 T CA 1.355 63.283 62.100 -0.285 0.000 1.139 117 T CB -0.497 68.317 68.868 -0.090 0.000 0.871 117 T HN 0.385 nan 8.240 nan 0.000 0.454 118 T N 2.089 116.455 114.554 -0.313 0.000 2.737 118 T HA 0.055 4.405 4.350 0.000 0.000 0.265 118 T C 1.951 176.388 174.700 -0.439 0.000 1.038 118 T CA 0.845 62.749 62.100 -0.328 0.000 1.144 118 T CB -0.357 68.372 68.868 -0.231 0.000 0.866 118 T HN 0.306 nan 8.240 nan 0.000 0.434 119 I N 1.256 121.540 120.570 -0.477 0.000 2.286 119 I HA -0.199 3.971 4.170 0.000 0.000 0.248 119 I C 2.816 178.466 176.117 -0.779 0.000 1.115 119 I CA 1.031 61.924 61.300 -0.677 0.000 1.392 119 I CB -0.386 37.223 38.000 -0.651 0.000 1.065 119 I HN 0.202 nan 8.210 nan 0.000 0.418 120 A N 0.791 123.120 122.820 -0.818 0.000 1.873 120 A HA -0.211 4.109 4.320 0.000 0.000 0.215 120 A C 2.308 179.569 177.584 -0.538 0.000 1.186 120 A CA 1.570 53.085 52.037 -0.871 0.000 0.616 120 A CB -0.399 17.419 19.000 -1.971 0.000 0.823 120 A HN 0.291 nan 8.150 nan 0.000 0.442 121 K N -0.300 119.780 120.400 -0.534 0.000 2.026 121 K HA -0.036 4.284 4.320 0.000 0.000 0.208 121 K C 1.849 178.287 176.600 -0.271 0.000 1.048 121 K CA 1.504 57.574 56.287 -0.362 0.000 0.929 121 K CB -0.404 31.883 32.500 -0.356 0.000 0.713 121 K HN 0.439 nan 8.250 nan 0.000 0.439 122 L N 0.095 121.104 121.223 -0.356 0.000 2.141 122 L HA -0.101 4.240 4.340 0.000 0.000 0.209 122 L C 2.519 179.394 176.870 0.009 0.000 1.094 122 L CA 1.156 55.844 54.840 -0.253 0.000 0.763 122 L CB -0.757 41.074 42.059 -0.380 0.000 0.908 122 L HN 0.382 nan 8.230 nan 0.000 0.437 123 G N -0.119 108.643 108.800 -0.063 0.000 2.418 123 G HA2 -0.286 3.674 3.960 0.000 0.000 0.217 123 G HA3 -0.286 3.674 3.960 0.000 0.000 0.217 123 G C 1.744 176.764 174.900 0.200 0.000 1.158 123 G CA 0.679 45.925 45.100 0.243 0.000 0.771 123 G HN 0.263 nan 8.290 nan 0.000 0.545 124 R N -1.075 119.491 120.500 0.110 0.000 2.075 124 R HA -0.106 4.234 4.340 0.000 0.000 0.232 124 R C 2.231 178.596 176.300 0.108 0.000 1.126 124 R CA 1.290 57.442 56.100 0.087 0.000 0.963 124 R CB -0.545 29.780 30.300 0.042 0.000 0.858 124 R HN 0.401 nan 8.270 nan 0.000 0.435 125 Y N 0.328 120.592 120.300 -0.060 0.000 2.053 125 Y HA -0.314 4.236 4.550 0.000 0.000 0.277 125 Y C 1.688 177.533 175.900 -0.091 0.000 1.159 125 Y CA 2.061 60.081 58.100 -0.134 0.000 1.125 125 Y CB -0.700 37.590 38.460 -0.282 0.000 0.969 125 Y HN 0.090 nan 8.280 nan 0.000 0.492 126 Y N 0.365 120.776 120.300 0.185 0.000 2.293 126 Y HA -0.211 4.339 4.550 0.000 0.000 0.291 126 Y C 2.830 178.755 175.900 0.040 0.000 1.137 126 Y CA 1.739 59.901 58.100 0.104 0.000 1.202 126 Y CB -0.760 37.872 38.460 0.288 0.000 0.990 126 Y HN 0.308 nan 8.280 nan 0.000 0.537 127 Q N 0.282 120.199 119.800 0.194 0.000 2.079 127 Q HA -0.195 4.145 4.340 0.000 0.000 0.200 127 Q C 1.598 177.615 176.000 0.027 0.000 0.974 127 Q CA 1.467 57.324 55.803 0.090 0.000 0.840 127 Q CB -0.068 28.711 28.738 0.068 0.000 0.898 127 Q HN 0.385 nan 8.270 nan 0.000 0.430 128 N N 0.378 119.078 118.700 -0.001 0.000 2.453 128 N HA -0.084 4.656 4.740 0.000 0.000 0.183 128 N C 1.241 176.707 175.510 -0.074 0.000 1.041 128 N CA 0.730 53.758 53.050 -0.037 0.000 0.900 128 N CB 0.018 38.480 38.487 -0.040 0.000 0.961 128 N HN 0.325 nan 8.380 nan 0.000 0.443 129 L N -0.777 120.386 121.223 -0.099 0.000 2.591 129 L HA 0.168 4.508 4.340 0.000 0.000 0.228 129 L C 1.227 178.082 176.870 -0.025 0.000 1.133 129 L CA 0.225 55.008 54.840 -0.095 0.000 0.880 129 L CB -0.188 41.787 42.059 -0.140 0.000 1.033 129 L HN 0.184 nan 8.230 nan 0.000 0.450 130 G N -0.011 108.781 108.800 -0.013 0.000 2.176 130 G HA2 -0.238 3.722 3.960 0.000 0.000 0.232 130 G HA3 -0.238 3.722 3.960 0.000 0.000 0.232 130 G C 0.264 175.153 174.900 -0.019 0.000 0.986 130 G CA -0.346 44.743 45.100 -0.018 0.000 0.643 130 G HN 0.321 nan 8.290 nan 0.000 0.522 131 K N 0.540 120.949 120.400 0.016 0.000 2.118 131 K HA 0.476 4.796 4.320 0.000 0.000 0.264 131 K C 0.153 176.722 176.600 -0.052 0.000 1.000 131 K CA -0.352 55.932 56.287 -0.003 0.000 0.929 131 K CB 0.805 33.345 32.500 0.066 0.000 1.021 131 K HN 0.130 nan 8.250 nan 0.000 0.463 132 K N 1.883 122.189 120.400 -0.157 0.000 2.267 132 K HA 0.235 4.555 4.320 0.000 0.000 0.282 132 K C -0.752 175.778 176.600 -0.117 0.000 1.078 132 K CA -0.501 55.578 56.287 -0.347 0.000 0.903 132 K CB 1.138 33.114 32.500 -0.874 0.000 1.111 132 K HN 0.180 nan 8.250 nan 0.000 0.475 133 V N 4.477 124.432 119.914 0.069 0.000 2.547 133 V HA 0.453 4.573 4.120 0.000 0.000 0.299 133 V C -0.145 176.072 176.094 0.206 0.000 1.040 133 V CA -0.857 61.559 62.300 0.193 0.000 0.913 133 V CB 1.554 33.479 31.823 0.171 0.000 0.992 133 V HN 0.794 nan 8.190 nan 0.000 0.449 134 M N 4.213 123.873 119.600 0.100 0.000 2.530 134 M HA 0.640 5.120 4.480 0.000 0.000 0.307 134 M C -1.963 174.360 176.300 0.039 0.000 1.161 134 M CA -0.390 54.843 55.300 -0.112 0.000 0.903 134 M CB 2.268 34.718 32.600 -0.250 0.000 1.711 134 M HN 0.555 nan 8.290 nan 0.000 0.451 135 F N 1.731 121.729 119.950 0.080 0.000 2.492 135 F HA 0.564 5.091 4.527 0.000 0.000 0.327 135 F C -0.347 175.473 175.800 0.032 0.000 1.079 135 F CA -1.101 56.956 58.000 0.094 0.000 0.967 135 F CB 1.784 40.845 39.000 0.102 0.000 1.169 135 F HN 0.511 nan 8.300 nan 0.000 0.472 136 C N 3.112 122.555 119.300 0.239 0.000 2.322 136 C HA 0.723 5.183 4.460 0.000 0.000 0.324 136 C C 0.354 175.385 174.990 0.068 0.000 1.249 136 C CA -0.468 58.613 59.018 0.105 0.000 1.453 136 C CB -0.501 27.269 27.740 0.049 0.000 2.145 136 C HN 0.872 nan 8.230 nan 0.000 0.466 137 A N 4.394 127.243 122.820 0.049 0.000 3.037 137 A HA 0.454 4.774 4.320 0.000 0.000 0.272 137 A C 1.374 178.938 177.584 -0.033 0.000 1.723 137 A CA 0.443 52.488 52.037 0.014 0.000 1.413 137 A CB -0.566 18.449 19.000 0.025 0.000 1.112 137 A HN 1.361 nan 8.150 nan 0.000 0.606 138 G N 0.054 108.827 108.800 -0.045 0.000 2.920 138 G HA2 0.004 3.964 3.960 0.000 0.000 0.208 138 G HA3 0.004 3.964 3.960 0.000 0.000 0.208 138 G C 0.410 175.219 174.900 -0.151 0.000 1.159 138 G CA 0.382 45.428 45.100 -0.090 0.000 0.784 138 G HN 0.606 nan 8.290 nan 0.000 0.535 139 D N 1.071 121.400 120.400 -0.118 0.000 2.558 139 D HA 0.147 4.787 4.640 0.000 0.000 0.221 139 D C 1.904 178.092 176.300 -0.186 0.000 1.143 139 D CA 0.123 54.045 54.000 -0.131 0.000 1.010 139 D CB 0.165 40.934 40.800 -0.051 0.000 1.068 139 D HN 0.125 nan 8.370 nan 0.000 0.511 140 T N -0.843 113.472 114.554 -0.397 0.000 3.100 140 T HA 0.062 4.412 4.350 0.000 0.000 0.253 140 T C 1.159 175.690 174.700 -0.282 0.000 1.118 140 T CA 0.068 61.932 62.100 -0.394 0.000 1.058 140 T CB -0.444 68.113 68.868 -0.518 0.000 0.953 140 T HN 0.278 nan 8.240 nan 0.000 0.515 141 F N 1.596 121.551 119.950 0.009 0.000 2.730 141 F HA 0.502 5.029 4.527 -0.000 0.000 0.295 141 F C 0.777 176.590 175.800 0.022 0.000 1.143 141 F CA -1.280 56.726 58.000 0.011 0.000 1.367 141 F CB 0.170 39.176 39.000 0.010 0.000 0.970 141 F HN -0.134 nan 8.300 nan 0.000 0.514 142 R N -0.787 119.791 120.500 0.130 0.000 2.740 142 R HA 0.568 4.908 4.340 0.000 0.000 0.273 142 R C 0.655 176.990 176.300 0.058 0.000 0.998 142 R CA -0.501 55.656 56.100 0.094 0.000 0.900 142 R CB 1.408 31.752 30.300 0.073 0.000 1.223 142 R HN 0.013 nan 8.270 nan 0.000 0.466 143 A N 1.383 124.233 122.820 0.050 0.000 1.972 143 A HA -0.133 4.187 4.320 0.000 0.000 0.219 143 A C 1.881 179.478 177.584 0.021 0.000 1.169 143 A CA 2.085 54.142 52.037 0.033 0.000 0.635 143 A CB -0.553 18.464 19.000 0.029 0.000 0.810 143 A HN 0.789 nan 8.150 nan 0.000 0.446 144 A N 0.098 122.932 122.820 0.023 0.000 1.832 144 A HA 0.353 4.673 4.320 0.000 0.000 0.214 144 A C 1.781 179.371 177.584 0.011 0.000 1.204 144 A CA 0.980 53.026 52.037 0.015 0.000 0.606 144 A CB -1.603 17.410 19.000 0.021 0.000 0.849 144 A HN 1.028 nan 8.150 nan 0.000 0.445 145 G N -2.279 106.528 108.800 0.012 0.000 2.368 145 G HA2 0.413 4.373 3.960 0.000 0.000 0.233 145 G HA3 0.413 4.373 3.960 0.000 0.000 0.233 145 G C 1.279 176.176 174.900 -0.004 0.000 1.267 145 G CA 0.302 45.403 45.100 0.001 0.000 0.873 145 G HN 1.782 nan 8.290 nan 0.000 0.539 146 G N 1.357 110.159 108.800 0.003 0.000 2.498 146 G HA2 -0.361 3.599 3.960 0.000 0.000 0.229 146 G HA3 -0.361 3.599 3.960 0.000 0.000 0.229 146 G C 1.547 176.459 174.900 0.020 0.000 1.156 146 G CA 1.262 46.368 45.100 0.010 0.000 0.680 146 G HN 0.984 nan 8.290 nan 0.000 0.512 147 T N 0.871 115.429 114.554 0.006 0.000 2.732 147 T HA 0.012 4.362 4.350 0.000 0.000 0.261 147 T C 2.288 176.970 174.700 -0.029 0.000 1.040 147 T CA 1.943 64.038 62.100 -0.009 0.000 1.145 147 T CB -0.245 68.612 68.868 -0.017 0.000 0.866 147 T HN 0.512 nan 8.240 nan 0.000 0.427 148 Q N 0.152 119.930 119.800 -0.037 0.000 2.020 148 Q HA -0.069 4.271 4.340 0.000 0.000 0.202 148 Q C 2.365 178.348 176.000 -0.029 0.000 0.982 148 Q CA 1.144 56.883 55.803 -0.107 0.000 0.838 148 Q CB -0.371 28.331 28.738 -0.060 0.000 0.899 148 Q HN 0.267 nan 8.270 nan 0.000 0.423 149 L N 0.430 121.728 121.223 0.125 0.000 2.127 149 L HA -0.182 4.158 4.340 0.000 0.000 0.211 149 L C 2.330 179.342 176.870 0.237 0.000 1.089 149 L CA 1.744 56.723 54.840 0.232 0.000 0.757 149 L CB -0.650 41.468 42.059 0.099 0.000 0.899 149 L HN 0.072 nan 8.230 nan 0.000 0.434 150 S N -1.128 114.647 115.700 0.124 0.000 2.383 150 S HA -0.226 4.244 4.470 0.000 0.000 0.227 150 S C 2.049 176.705 174.600 0.094 0.000 1.026 150 S CA 1.428 59.695 58.200 0.111 0.000 0.981 150 S CB -0.270 62.961 63.200 0.051 0.000 0.818 150 S HN 0.659 nan 8.310 nan 0.000 0.472 151 E N -0.871 119.331 120.200 0.005 0.000 2.107 151 E HA -0.127 4.223 4.350 0.000 0.000 0.191 151 E C 1.725 178.325 176.600 0.001 0.000 0.982 151 E CA 0.898 57.255 56.400 -0.073 0.000 0.809 151 E CB -0.246 29.317 29.700 -0.229 0.000 0.756 151 E HN 0.745 nan 8.360 nan 0.000 0.459 152 W N 0.535 121.889 121.300 0.091 0.000 2.335 152 W HA -0.114 4.546 4.660 0.000 0.000 0.311 152 W C 2.374 179.019 176.519 0.211 0.000 1.213 152 W CA 0.848 58.276 57.345 0.138 0.000 1.274 152 W CB -0.503 29.034 29.460 0.128 0.000 1.148 152 W HN 0.232 nan 8.180 nan 0.000 0.498 153 G N 0.529 109.633 108.800 0.507 0.000 2.446 153 G HA2 -0.277 3.683 3.960 0.000 0.000 0.217 153 G HA3 -0.277 3.683 3.960 0.000 0.000 0.217 153 G C 1.391 176.389 174.900 0.163 0.000 1.168 153 G CA 1.220 46.500 45.100 0.299 0.000 0.771 153 G HN 0.199 nan 8.290 nan 0.000 0.551 154 K N 0.102 120.582 120.400 0.133 0.000 2.063 154 K HA -0.063 4.257 4.320 0.000 0.000 0.208 154 K C 2.705 179.358 176.600 0.089 0.000 1.048 154 K CA 1.079 57.414 56.287 0.080 0.000 0.928 154 K CB -0.187 32.340 32.500 0.045 0.000 0.713 154 K HN 0.183 nan 8.250 nan 0.000 0.442 155 R N 0.499 121.072 120.500 0.121 0.000 2.148 155 R HA -0.024 4.316 4.340 0.000 0.000 0.227 155 R C 1.753 178.149 176.300 0.160 0.000 1.103 155 R CA 0.877 57.058 56.100 0.136 0.000 0.983 155 R CB -0.051 30.350 30.300 0.169 0.000 0.874 155 R HN 0.172 nan 8.270 nan 0.000 0.451 156 L N -0.274 121.060 121.223 0.185 0.000 2.693 156 L HA 0.208 4.548 4.340 0.000 0.000 0.235 156 L C -0.010 176.906 176.870 0.075 0.000 1.127 156 L CA -0.220 54.706 54.840 0.144 0.000 0.914 156 L CB 0.613 42.785 42.059 0.187 0.000 1.193 156 L HN -0.025 nan 8.230 nan 0.000 0.502 157 S N 1.167 116.906 115.700 0.065 0.000 3.783 157 S HA -0.137 4.333 4.470 0.000 0.000 0.360 157 S C -0.070 174.537 174.600 0.012 0.000 1.006 157 S CA 0.495 58.718 58.200 0.038 0.000 1.115 157 S CB -1.454 61.767 63.200 0.035 0.000 0.893 157 S HN 0.334 nan 8.310 nan 0.000 0.475 158 I N 1.202 121.753 120.570 -0.031 0.000 2.466 158 I HA 0.364 4.534 4.170 0.000 0.000 0.289 158 I C -2.457 173.583 176.117 -0.130 0.000 1.026 158 I CA -2.461 58.750 61.300 -0.148 0.000 1.078 158 I CB 2.333 40.029 38.000 -0.507 0.000 1.249 158 I HN -0.081 nan 8.210 nan 0.000 0.429 159 P HA 0.148 nan 4.420 nan 0.000 0.271 159 P C -0.932 176.318 177.300 -0.083 0.000 1.216 159 P CA -0.193 62.849 63.100 -0.095 0.000 0.776 159 P CB 0.823 32.412 31.700 -0.184 0.000 0.881 160 V N 4.838 124.754 119.914 0.004 0.000 2.444 160 V HA 0.240 4.360 4.120 0.000 0.000 0.294 160 V C -0.004 176.113 176.094 0.038 0.000 1.022 160 V CA -0.620 61.732 62.300 0.087 0.000 0.850 160 V CB 1.466 33.383 31.823 0.157 0.000 0.992 160 V HN 0.331 nan 8.190 nan 0.000 0.426 161 I N 6.117 126.706 120.570 0.033 0.000 2.337 161 I HA 0.446 4.617 4.170 0.000 0.000 0.291 161 I C 0.335 176.466 176.117 0.022 0.000 1.046 161 I CA 0.207 61.511 61.300 0.007 0.000 1.324 161 I CB 0.750 38.743 38.000 -0.013 0.000 1.409 161 I HN 0.845 nan 8.210 nan 0.000 0.494 162 Q N 4.570 124.379 119.800 0.014 0.000 2.626 162 Q HA 0.942 5.282 4.340 0.000 0.000 0.300 162 Q C -0.781 175.221 176.000 0.002 0.000 0.988 162 Q CA -1.324 54.485 55.803 0.010 0.000 0.761 162 Q CB 2.317 31.068 28.738 0.022 0.000 1.494 162 Q HN 0.574 nan 8.270 nan 0.000 0.439 163 G N 0.209 109.006 108.800 -0.005 0.000 2.695 163 G HA2 0.662 4.622 3.960 0.000 0.000 0.290 163 G HA3 0.662 4.622 3.960 0.000 0.000 0.290 163 G C -2.922 171.976 174.900 -0.002 0.000 1.410 163 G CA -1.365 43.734 45.100 -0.003 0.000 0.844 163 G HN 0.473 nan 8.290 nan 0.000 0.478 164 P HA 0.174 nan 4.420 nan 0.000 0.270 164 P C 0.010 177.320 177.300 0.017 0.000 1.223 164 P CA -0.296 62.812 63.100 0.013 0.000 0.785 164 P CB 0.626 32.337 31.700 0.018 0.000 0.923 165 E N 0.554 120.771 120.200 0.027 0.000 2.452 165 E HA 0.201 4.551 4.350 0.000 0.000 0.261 165 E C 0.881 177.536 176.600 0.091 0.000 0.987 165 E CA 0.865 57.293 56.400 0.048 0.000 0.926 165 E CB -0.393 29.341 29.700 0.057 0.000 0.934 165 E HN 0.750 nan 8.360 nan 0.000 0.452 166 G N 3.137 112.036 108.800 0.164 0.000 2.141 166 G HA2 -0.227 3.733 3.960 0.000 0.000 0.242 166 G HA3 -0.227 3.733 3.960 0.000 0.000 0.242 166 G C 0.244 175.272 174.900 0.213 0.000 0.982 166 G CA 0.235 45.501 45.100 0.278 0.000 0.662 166 G HN 0.587 nan 8.290 nan 0.000 0.527 167 T N 0.953 115.554 114.554 0.079 0.000 2.910 167 T HA 0.415 4.765 4.350 0.000 0.000 0.293 167 T C 0.200 174.907 174.700 0.012 0.000 1.015 167 T CA 0.234 62.353 62.100 0.032 0.000 1.094 167 T CB 1.388 70.245 68.868 -0.018 0.000 0.968 167 T HN 0.308 nan 8.240 nan 0.000 0.521 168 D N 3.060 123.485 120.400 0.042 0.000 2.412 168 D HA 0.088 4.728 4.640 0.000 0.000 0.257 168 D C -1.512 174.766 176.300 -0.036 0.000 1.217 168 D CA -1.985 52.042 54.000 0.044 0.000 0.897 168 D CB 1.150 41.974 40.800 0.041 0.000 1.132 168 D HN 0.099 nan 8.370 nan 0.000 0.493 169 P HA -0.099 nan 4.420 nan 0.000 0.216 169 P C 0.946 178.227 177.300 -0.033 0.000 1.153 169 P CA 1.531 64.557 63.100 -0.123 0.000 0.848 169 P CB 0.147 31.738 31.700 -0.181 0.000 0.787 170 A N 0.184 123.006 122.820 0.003 0.000 1.873 170 A HA -0.080 4.240 4.320 0.000 0.000 0.215 170 A C 2.362 179.971 177.584 0.041 0.000 1.186 170 A CA 2.111 54.163 52.037 0.026 0.000 0.616 170 A CB -1.645 17.371 19.000 0.027 0.000 0.823 170 A HN 0.182 nan 8.150 nan 0.000 0.442 171 A N -0.637 122.195 122.820 0.020 0.000 1.933 171 A HA -0.053 4.267 4.320 0.000 0.000 0.218 171 A C 2.139 179.765 177.584 0.071 0.000 1.175 171 A CA 1.768 53.818 52.037 0.022 0.000 0.628 171 A CB -0.598 18.395 19.000 -0.010 0.000 0.814 171 A HN 0.641 nan 8.150 nan 0.000 0.444 172 L N -0.320 120.923 121.223 0.034 0.000 2.017 172 L HA -0.050 4.290 4.340 0.000 0.000 0.208 172 L C 2.707 179.601 176.870 0.040 0.000 1.073 172 L CA 2.191 57.046 54.840 0.026 0.000 0.745 172 L CB -0.764 41.286 42.059 -0.015 0.000 0.894 172 L HN 0.335 nan 8.230 nan 0.000 0.432 173 A N -1.415 121.428 122.820 0.039 0.000 1.902 173 A HA -0.293 4.027 4.320 0.000 0.000 0.217 173 A C 2.306 179.920 177.584 0.049 0.000 1.181 173 A CA 1.792 53.847 52.037 0.030 0.000 0.623 173 A CB -1.257 17.756 19.000 0.022 0.000 0.818 173 A HN 0.643 nan 8.150 nan 0.000 0.443 174 Y N 1.255 121.539 120.300 -0.027 0.000 2.081 174 Y HA -0.292 4.258 4.550 0.000 0.000 0.280 174 Y C 1.932 177.815 175.900 -0.029 0.000 1.163 174 Y CA 2.308 60.392 58.100 -0.026 0.000 1.135 174 Y CB -0.275 38.174 38.460 -0.019 0.000 0.970 174 Y HN 0.353 nan 8.280 nan 0.000 0.498 175 D N 0.057 120.553 120.400 0.160 0.000 2.117 175 D HA -0.175 4.465 4.640 0.000 0.000 0.197 175 D C 2.281 178.548 176.300 -0.054 0.000 0.987 175 D CA 1.508 55.542 54.000 0.056 0.000 0.829 175 D CB -0.595 40.257 40.800 0.087 0.000 0.961 175 D HN 0.512 nan 8.370 nan 0.000 0.460 176 A N 0.506 123.300 122.820 -0.044 0.000 1.898 176 A HA -0.114 4.206 4.320 0.000 0.000 0.216 176 A C 2.534 180.049 177.584 -0.114 0.000 1.181 176 A CA 1.067 53.062 52.037 -0.070 0.000 0.620 176 A CB -0.668 18.310 19.000 -0.037 0.000 0.819 176 A HN 0.140 nan 8.150 nan 0.000 0.442 177 V N 0.235 120.066 119.914 -0.138 0.000 2.295 177 V HA -0.308 3.812 4.120 0.000 0.000 0.246 177 V C 2.669 178.646 176.094 -0.196 0.000 1.049 177 V CA 2.147 64.345 62.300 -0.169 0.000 1.024 177 V CB -0.893 30.818 31.823 -0.187 0.000 0.648 177 V HN 0.605 nan 8.190 nan 0.000 0.447 178 Q N -0.235 119.408 119.800 -0.262 0.000 2.096 178 Q HA -0.226 4.114 4.340 0.000 0.000 0.204 178 Q C 2.459 178.373 176.000 -0.142 0.000 0.982 178 Q CA 1.897 57.564 55.803 -0.226 0.000 0.850 178 Q CB -0.436 28.148 28.738 -0.256 0.000 0.901 178 Q HN 0.684 nan 8.270 nan 0.000 0.422 179 A N 1.398 124.138 122.820 -0.133 0.000 1.877 179 A HA -0.216 4.104 4.320 0.000 0.000 0.216 179 A C 2.088 179.584 177.584 -0.146 0.000 1.186 179 A CA 1.597 53.558 52.037 -0.127 0.000 0.620 179 A CB -0.677 18.242 19.000 -0.136 0.000 0.822 179 A HN 0.422 nan 8.150 nan 0.000 0.443 180 M N -0.465 119.041 119.600 -0.156 0.000 2.082 180 M HA -0.238 4.242 4.480 0.000 0.000 0.258 180 M C 1.956 178.228 176.300 -0.046 0.000 1.069 180 M CA 2.276 57.500 55.300 -0.127 0.000 1.102 180 M CB -0.255 32.281 32.600 -0.107 0.000 1.336 180 M HN 0.375 nan 8.290 nan 0.000 0.404 181 K N 0.008 120.366 120.400 -0.070 0.000 2.103 181 K HA -0.039 4.281 4.320 0.000 0.000 0.204 181 K C 2.035 178.616 176.600 -0.031 0.000 1.052 181 K CA 1.261 57.517 56.287 -0.051 0.000 0.945 181 K CB -0.258 32.194 32.500 -0.079 0.000 0.722 181 K HN 0.459 nan 8.250 nan 0.000 0.443 182 A N 1.545 124.339 122.820 -0.044 0.000 1.933 182 A HA -0.138 4.182 4.320 0.000 0.000 0.218 182 A C 1.863 179.449 177.584 0.004 0.000 1.175 182 A CA 1.264 53.286 52.037 -0.026 0.000 0.628 182 A CB -0.244 18.734 19.000 -0.037 0.000 0.814 182 A HN 0.197 nan 8.150 nan 0.000 0.444 183 R N -1.445 119.069 120.500 0.023 0.000 2.317 183 R HA 0.260 4.600 4.340 0.000 0.000 0.208 183 R C 1.038 177.452 176.300 0.190 0.000 0.914 183 R CA 0.480 56.642 56.100 0.102 0.000 1.060 183 R CB 0.053 30.408 30.300 0.092 0.000 1.015 183 R HN 0.637 nan 8.270 nan 0.000 0.498 184 G N 0.767 109.642 108.800 0.125 0.000 2.198 184 G HA2 -0.310 3.650 3.960 0.000 0.000 0.257 184 G HA3 -0.310 3.650 3.960 0.000 0.000 0.257 184 G C -0.359 174.608 174.900 0.113 0.000 1.042 184 G CA -0.120 45.030 45.100 0.084 0.000 0.791 184 G HN 0.217 nan 8.290 nan 0.000 0.502 185 Y N 0.309 120.574 120.300 -0.059 0.000 2.326 185 Y HA 0.322 4.872 4.550 0.000 0.000 0.333 185 Y C 1.634 177.487 175.900 -0.079 0.000 1.240 185 Y CA -0.227 57.834 58.100 -0.065 0.000 1.365 185 Y CB 0.681 39.099 38.460 -0.070 0.000 1.289 185 Y HN 0.129 nan 8.280 nan 0.000 0.548 186 D N 0.978 121.383 120.400 0.009 0.000 2.240 186 D HA 0.098 4.739 4.640 0.000 0.000 0.206 186 D C -0.234 176.011 176.300 -0.091 0.000 0.963 186 D CA 1.130 55.100 54.000 -0.050 0.000 0.863 186 D CB 0.531 41.288 40.800 -0.072 0.000 0.973 186 D HN 0.269 nan 8.370 nan 0.000 0.501 187 L N 0.746 121.922 121.223 -0.079 0.000 2.482 187 L HA 0.362 4.702 4.340 0.000 0.000 0.263 187 L C -1.560 175.189 176.870 -0.202 0.000 0.957 187 L CA -0.885 53.807 54.840 -0.246 0.000 0.836 187 L CB 3.039 44.887 42.059 -0.351 0.000 1.324 187 L HN -0.173 nan 8.230 nan 0.000 0.406 188 L N 2.641 123.666 121.223 -0.331 0.000 2.376 188 L HA 0.610 4.950 4.340 0.000 0.000 0.275 188 L C -1.565 175.095 176.870 -0.350 0.000 0.987 188 L CA 0.123 54.849 54.840 -0.190 0.000 0.828 188 L CB 1.438 43.415 42.059 -0.137 0.000 1.249 188 L HN 0.245 nan 8.230 nan 0.000 0.409 189 F N 5.051 125.059 119.950 0.096 0.000 2.385 189 F HA 0.484 5.011 4.527 0.000 0.000 0.360 189 F C 0.118 175.935 175.800 0.028 0.000 1.122 189 F CA -0.663 57.368 58.000 0.052 0.000 1.090 189 F CB 1.631 40.697 39.000 0.110 0.000 1.150 189 F HN 0.126 nan 8.300 nan 0.000 0.472 190 V N 3.489 123.455 119.914 0.087 0.000 2.334 190 V HA 0.116 4.236 4.120 0.000 0.000 0.267 190 V C 0.060 176.171 176.094 0.028 0.000 1.040 190 V CA -0.632 61.693 62.300 0.041 0.000 0.866 190 V CB 0.767 32.584 31.823 -0.010 0.000 1.019 190 V HN 0.573 nan 8.190 nan 0.000 0.468 191 D N 3.854 124.260 120.400 0.009 0.000 2.357 191 D HA 0.492 5.132 4.640 0.000 0.000 0.242 191 D C 0.294 176.580 176.300 -0.024 0.000 1.153 191 D CA 0.270 54.255 54.000 -0.026 0.000 0.918 191 D CB 1.558 42.328 40.800 -0.050 0.000 1.181 191 D HN 0.730 nan 8.370 nan 0.000 0.435 192 T N -1.557 112.982 114.554 -0.025 0.000 2.841 192 T HA 0.743 5.093 4.350 0.000 0.000 0.296 192 T C -0.229 174.468 174.700 -0.006 0.000 1.166 192 T CA -0.764 61.326 62.100 -0.017 0.000 1.007 192 T CB 0.868 69.743 68.868 0.012 0.000 1.253 192 T HN 0.432 nan 8.240 nan 0.000 0.511 193 A N -0.484 122.339 122.820 0.006 0.000 2.429 193 A HA 0.648 4.968 4.320 0.000 0.000 0.242 193 A C 1.155 178.798 177.584 0.099 0.000 1.088 193 A CA 0.036 52.103 52.037 0.051 0.000 0.784 193 A CB -0.585 18.472 19.000 0.095 0.000 1.038 193 A HN 1.850 nan 8.150 nan 0.000 0.501 194 G N -0.440 108.428 108.800 0.113 0.000 4.956 194 G HA2 0.340 4.300 3.960 0.000 0.000 0.263 194 G HA3 0.340 4.300 3.960 0.000 0.000 0.263 194 G C 0.118 175.096 174.900 0.130 0.000 0.958 194 G CA -0.363 44.826 45.100 0.148 0.000 0.749 194 G HN 0.717 nan 8.290 nan 0.000 0.356 195 R N 1.218 121.787 120.500 0.114 0.000 2.221 195 R HA 0.639 4.979 4.340 0.000 0.000 0.327 195 R C -0.090 176.238 176.300 0.046 0.000 1.033 195 R CA -0.263 55.890 56.100 0.088 0.000 0.887 195 R CB 0.329 30.693 30.300 0.106 0.000 1.057 195 R HN 0.098 nan 8.270 nan 0.000 0.455 196 L N 4.313 125.522 121.223 -0.022 0.000 2.399 196 L HA 0.361 4.701 4.340 0.000 0.000 0.265 196 L C 0.188 176.972 176.870 -0.142 0.000 1.089 196 L CA -0.867 53.854 54.840 -0.198 0.000 0.802 196 L CB 0.985 42.802 42.059 -0.404 0.000 1.180 196 L HN 0.912 nan 8.230 nan 0.000 0.454 197 H N -1.697 117.381 119.070 0.013 0.000 2.826 197 H HA -0.156 4.400 4.556 0.000 0.000 0.306 197 H C 0.118 175.447 175.328 0.002 0.000 1.235 197 H CA 0.456 56.505 56.048 0.002 0.000 1.150 197 H CB -1.604 28.159 29.762 0.002 0.000 1.409 197 H HN 0.811 nan 8.280 nan 0.000 0.420 198 T N -3.199 111.400 114.554 0.075 0.000 2.880 198 T HA 0.347 4.698 4.350 0.000 0.000 0.279 198 T C 1.369 176.055 174.700 -0.024 0.000 0.990 198 T CA -0.844 61.281 62.100 0.042 0.000 0.938 198 T CB 1.585 70.492 68.868 0.065 0.000 1.206 198 T HN 0.285 nan 8.240 nan 0.000 0.573 199 K N -0.274 120.062 120.400 -0.108 0.000 2.439 199 K HA 0.022 4.342 4.320 0.000 0.000 0.197 199 K C 0.228 176.539 176.600 -0.481 0.000 1.041 199 K CA 0.643 56.761 56.287 -0.280 0.000 0.970 199 K CB -0.124 32.160 32.500 -0.360 0.000 0.773 199 K HN 0.513 nan 8.250 nan 0.000 0.479 200 H N 0.575 119.617 119.070 -0.046 0.000 2.646 200 H HA 0.117 4.673 4.556 0.000 0.000 0.328 200 H C -0.979 174.344 175.328 -0.008 0.000 0.998 200 H CA -1.245 54.777 56.048 -0.044 0.000 1.225 200 H CB 1.074 30.778 29.762 -0.097 0.000 1.457 200 H HN -0.007 nan 8.280 nan 0.000 0.505 201 N N 2.750 121.499 118.700 0.082 0.000 2.414 201 N HA -0.101 4.639 4.740 0.000 0.000 0.268 201 N C 1.236 176.787 175.510 0.068 0.000 1.286 201 N CA -0.207 52.869 53.050 0.044 0.000 0.896 201 N CB 0.573 39.074 38.487 0.022 0.000 1.093 201 N HN 0.467 nan 8.380 nan 0.000 0.480 202 L N 4.989 126.237 121.223 0.042 0.000 2.012 202 L HA -0.150 4.190 4.340 0.000 0.000 0.210 202 L C 1.688 178.589 176.870 0.053 0.000 1.073 202 L CA 1.760 56.641 54.840 0.068 0.000 0.748 202 L CB -0.436 41.646 42.059 0.039 0.000 0.891 202 L HN 0.693 nan 8.230 nan 0.000 0.431 203 M N -0.566 119.021 119.600 -0.021 0.000 2.108 203 M HA -0.179 4.301 4.480 0.000 0.000 0.261 203 M C 2.144 178.461 176.300 0.028 0.000 1.066 203 M CA 1.468 56.755 55.300 -0.021 0.000 1.107 203 M CB -1.479 31.074 32.600 -0.079 0.000 1.356 203 M HN 0.296 nan 8.290 nan 0.000 0.406 204 E N -0.017 120.203 120.200 0.032 0.000 2.150 204 E HA -0.183 4.167 4.350 0.000 0.000 0.193 204 E C 1.915 178.555 176.600 0.066 0.000 0.985 204 E CA 0.924 57.351 56.400 0.045 0.000 0.814 204 E CB -0.314 29.412 29.700 0.044 0.000 0.752 204 E HN 0.691 nan 8.360 nan 0.000 0.466 205 E N 0.824 121.079 120.200 0.090 0.000 2.106 205 E HA -0.121 4.229 4.350 0.000 0.000 0.192 205 E C 2.150 178.805 176.600 0.091 0.000 0.984 205 E CA 0.465 56.931 56.400 0.109 0.000 0.806 205 E CB 0.009 29.809 29.700 0.167 0.000 0.750 205 E HN 0.181 nan 8.360 nan 0.000 0.458 206 L N 0.446 121.726 121.223 0.096 0.000 2.109 206 L HA -0.109 4.231 4.340 0.000 0.000 0.207 206 L C 2.509 179.424 176.870 0.074 0.000 1.086 206 L CA 1.097 55.995 54.840 0.097 0.000 0.760 206 L CB -0.234 41.912 42.059 0.145 0.000 0.910 206 L HN 0.071 nan 8.230 nan 0.000 0.437 207 K N 0.114 120.552 120.400 0.064 0.000 2.097 207 K HA -0.165 4.155 4.320 0.000 0.000 0.206 207 K C 2.125 178.751 176.600 0.043 0.000 1.049 207 K CA 1.133 57.449 56.287 0.048 0.000 0.933 207 K CB -0.005 32.517 32.500 0.037 0.000 0.717 207 K HN 0.222 nan 8.250 nan 0.000 0.442 208 K N 0.536 120.964 120.400 0.047 0.000 2.001 208 K HA -0.098 4.222 4.320 0.000 0.000 0.208 208 K C 2.096 178.720 176.600 0.041 0.000 1.048 208 K CA 1.257 57.568 56.287 0.041 0.000 0.932 208 K CB -0.134 32.393 32.500 0.046 0.000 0.715 208 K HN -0.069 nan 8.250 nan 0.000 0.437 209 V N 1.938 121.878 119.914 0.043 0.000 2.287 209 V HA -0.291 3.829 4.120 0.000 0.000 0.248 209 V C 2.358 178.473 176.094 0.035 0.000 1.053 209 V CA 1.793 64.115 62.300 0.036 0.000 1.027 209 V CB -0.430 31.410 31.823 0.029 0.000 0.646 209 V HN 0.354 nan 8.190 nan 0.000 0.447 210 K N -0.088 120.332 120.400 0.035 0.000 2.063 210 K HA -0.225 4.095 4.320 0.000 0.000 0.208 210 K C 2.393 179.010 176.600 0.029 0.000 1.048 210 K CA 1.696 57.999 56.287 0.026 0.000 0.928 210 K CB -0.114 32.404 32.500 0.031 0.000 0.713 210 K HN 0.323 nan 8.250 nan 0.000 0.442 211 R N -0.213 120.307 120.500 0.034 0.000 2.096 211 R HA -0.067 4.273 4.340 0.000 0.000 0.235 211 R C 2.281 178.614 176.300 0.056 0.000 1.127 211 R CA 1.235 57.357 56.100 0.036 0.000 0.968 211 R CB -0.262 30.056 30.300 0.030 0.000 0.861 211 R HN 0.253 nan 8.270 nan 0.000 0.440 212 A N 0.933 123.793 122.820 0.067 0.000 1.933 212 A HA -0.140 4.180 4.320 0.000 0.000 0.218 212 A C 2.097 179.774 177.584 0.156 0.000 1.175 212 A CA 1.202 53.312 52.037 0.122 0.000 0.628 212 A CB -0.474 18.592 19.000 0.109 0.000 0.814 212 A HN 0.195 nan 8.150 nan 0.000 0.444 213 I N -0.211 120.402 120.570 0.071 0.000 2.127 213 I HA -0.297 3.873 4.170 0.000 0.000 0.241 213 I C 2.914 179.037 176.117 0.009 0.000 1.075 213 I CA 1.258 62.569 61.300 0.018 0.000 1.334 213 I CB -0.357 37.635 38.000 -0.014 0.000 1.040 213 I HN 0.348 nan 8.210 nan 0.000 0.405 214 A N 0.295 123.128 122.820 0.022 0.000 2.067 214 A HA -0.220 4.100 4.320 0.000 0.000 0.219 214 A C 2.341 179.947 177.584 0.037 0.000 1.158 214 A CA 1.530 53.576 52.037 0.014 0.000 0.661 214 A CB -0.459 18.550 19.000 0.015 0.000 0.801 214 A HN 0.381 nan 8.150 nan 0.000 0.452 215 K N -0.323 120.130 120.400 0.090 0.000 2.155 215 K HA 0.053 4.373 4.320 0.000 0.000 0.203 215 K C 1.962 178.664 176.600 0.170 0.000 1.052 215 K CA 1.005 57.382 56.287 0.150 0.000 0.948 215 K CB -0.230 32.393 32.500 0.206 0.000 0.728 215 K HN 0.350 nan 8.250 nan 0.000 0.448 216 A N 0.239 123.091 122.820 0.053 0.000 2.016 216 A HA -0.043 4.277 4.320 0.000 0.000 0.217 216 A C 0.325 177.829 177.584 -0.133 0.000 1.162 216 A CA 1.044 52.938 52.037 -0.238 0.000 0.662 216 A CB 0.187 18.867 19.000 -0.534 0.000 0.812 216 A HN 0.389 nan 8.150 nan 0.000 0.450 217 D N -2.320 118.037 120.400 -0.071 0.000 2.354 217 D HA 0.270 4.910 4.640 0.000 0.000 0.230 217 D C -2.643 173.637 176.300 -0.034 0.000 1.361 217 D CA -1.359 52.605 54.000 -0.060 0.000 0.992 217 D CB 1.436 42.187 40.800 -0.083 0.000 1.409 217 D HN -0.143 nan 8.370 nan 0.000 0.573 218 P HA -0.062 nan 4.420 nan 0.000 0.221 218 P C 0.467 177.758 177.300 -0.016 0.000 1.145 218 P CA 0.966 64.061 63.100 -0.009 0.000 0.795 218 P CB 0.382 32.080 31.700 -0.004 0.000 0.775 219 E N -0.793 119.391 120.200 -0.025 0.000 2.419 219 E HA 0.065 4.415 4.350 0.000 0.000 0.190 219 E C 0.156 176.732 176.600 -0.041 0.000 1.040 219 E CA 0.096 56.480 56.400 -0.028 0.000 0.900 219 E CB 0.183 29.865 29.700 -0.029 0.000 1.054 219 E HN 0.308 nan 8.360 nan 0.000 0.462 220 E N 1.001 121.173 120.200 -0.045 0.000 2.336 220 E HA 0.337 4.687 4.350 0.000 0.000 0.267 220 E C -2.614 173.956 176.600 -0.050 0.000 0.906 220 E CA -2.344 54.018 56.400 -0.064 0.000 0.781 220 E CB 1.870 31.519 29.700 -0.085 0.000 1.261 220 E HN -0.087 nan 8.360 nan 0.000 0.436 221 P HA 0.298 nan 4.420 nan 0.000 0.285 221 P C 0.097 177.340 177.300 -0.094 0.000 1.259 221 P CA -0.334 62.706 63.100 -0.100 0.000 0.794 221 P CB 1.365 32.996 31.700 -0.114 0.000 0.940 222 K N 0.808 121.136 120.400 -0.119 0.000 2.296 222 K HA 0.037 4.357 4.320 0.000 0.000 0.200 222 K C 0.440 176.983 176.600 -0.096 0.000 1.048 222 K CA 0.899 57.134 56.287 -0.088 0.000 0.966 222 K CB 0.368 32.819 32.500 -0.081 0.000 0.754 222 K HN 0.524 nan 8.250 nan 0.000 0.466 223 E N 0.828 120.901 120.200 -0.212 0.000 2.222 223 E HA 0.275 4.625 4.350 0.000 0.000 0.267 223 E C -1.150 175.266 176.600 -0.308 0.000 0.884 223 E CA -0.632 55.583 56.400 -0.310 0.000 0.764 223 E CB 2.595 31.826 29.700 -0.782 0.000 1.169 223 E HN -0.259 nan 8.360 nan 0.000 0.413 224 V N 3.085 122.945 119.914 -0.090 0.000 2.447 224 V HA 0.325 4.445 4.120 0.000 0.000 0.292 224 V C -1.149 175.113 176.094 0.279 0.000 1.021 224 V CA -0.880 61.433 62.300 0.021 0.000 0.850 224 V CB 1.067 32.940 31.823 0.083 0.000 1.005 224 V HN 0.521 nan 8.190 nan 0.000 0.426 225 W N 5.089 126.401 121.300 0.020 0.000 2.417 225 W HA 0.650 5.310 4.660 0.000 0.000 0.315 225 W C -0.465 176.020 176.519 -0.058 0.000 1.045 225 W CA -1.631 55.718 57.345 0.006 0.000 1.221 225 W CB 1.732 31.229 29.460 0.061 0.000 1.309 225 W HN 0.422 nan 8.180 nan 0.000 0.453 226 L N 4.446 125.734 121.223 0.108 0.000 2.292 226 L HA 0.567 4.907 4.340 0.000 0.000 0.284 226 L C -0.572 176.253 176.870 -0.075 0.000 1.065 226 L CA -0.323 54.478 54.840 -0.065 0.000 0.806 226 L CB 0.933 42.932 42.059 -0.101 0.000 1.175 226 L HN 0.105 nan 8.230 nan 0.000 0.431 227 V N 6.788 126.634 119.914 -0.115 0.000 2.394 227 V HA 0.489 4.609 4.120 0.000 0.000 0.282 227 V C 0.083 176.114 176.094 -0.104 0.000 1.031 227 V CA -0.508 61.733 62.300 -0.099 0.000 0.881 227 V CB 1.276 33.046 31.823 -0.089 0.000 0.982 227 V HN 0.640 nan 8.190 nan 0.000 0.451 228 L N 3.283 124.454 121.223 -0.087 0.000 2.409 228 L HA 0.563 4.903 4.340 0.000 0.000 0.262 228 L C -0.656 176.181 176.870 -0.055 0.000 0.992 228 L CA -0.600 54.202 54.840 -0.064 0.000 0.817 228 L CB 2.532 44.551 42.059 -0.067 0.000 1.350 228 L HN 0.595 nan 8.230 nan 0.000 0.411 229 D N 1.017 121.397 120.400 -0.034 0.000 2.283 229 D HA 0.288 4.928 4.640 0.000 0.000 0.248 229 D C 0.542 176.829 176.300 -0.022 0.000 1.072 229 D CA -0.019 53.966 54.000 -0.025 0.000 0.929 229 D CB 2.381 43.175 40.800 -0.011 0.000 1.182 229 D HN 0.644 nan 8.370 nan 0.000 0.433 230 A N 2.700 125.511 122.820 -0.014 0.000 2.014 230 A HA -0.038 4.282 4.320 0.000 0.000 0.218 230 A C 1.787 179.373 177.584 0.004 0.000 1.163 230 A CA 0.565 52.599 52.037 -0.006 0.000 0.652 230 A CB -0.157 18.852 19.000 0.014 0.000 0.808 230 A HN 0.448 nan 8.150 nan 0.000 0.449 231 V N 2.363 122.280 119.914 0.005 0.000 3.513 231 V HA -0.016 4.104 4.120 0.000 0.000 0.311 231 V C 0.853 176.953 176.094 0.010 0.000 1.218 231 V CA 0.913 63.219 62.300 0.009 0.000 1.266 231 V CB -2.048 29.781 31.823 0.010 0.000 1.074 231 V HN 0.655 nan 8.190 nan 0.000 0.421 232 T N -1.077 113.481 114.554 0.006 0.000 2.897 232 T HA 0.632 4.982 4.350 0.000 0.000 0.294 232 T C 0.481 175.189 174.700 0.013 0.000 1.004 232 T CA -0.006 62.100 62.100 0.010 0.000 1.106 232 T CB 2.120 70.991 68.868 0.005 0.000 0.949 232 T HN 0.343 nan 8.240 nan 0.000 0.520 233 G N -0.033 108.778 108.800 0.019 0.000 2.938 233 G HA2 0.336 4.296 3.960 0.000 0.000 0.258 233 G HA3 0.336 4.296 3.960 0.000 0.000 0.258 233 G C 0.555 175.467 174.900 0.021 0.000 1.356 233 G CA -0.574 44.538 45.100 0.019 0.000 1.052 233 G HN 0.775 nan 8.290 nan 0.000 0.550 234 Q N -0.646 119.166 119.800 0.021 0.000 2.197 234 Q HA -0.200 4.140 4.340 0.000 0.000 0.207 234 Q C 2.007 178.023 176.000 0.027 0.000 0.984 234 Q CA 1.994 57.811 55.803 0.022 0.000 0.869 234 Q CB -0.203 28.547 28.738 0.020 0.000 0.906 234 Q HN 0.666 nan 8.270 nan 0.000 0.426 235 N N -0.905 117.813 118.700 0.030 0.000 2.142 235 N HA -0.121 4.619 4.740 0.000 0.000 0.186 235 N C 1.772 177.309 175.510 0.045 0.000 1.023 235 N CA 1.255 54.327 53.050 0.037 0.000 0.852 235 N CB -0.168 38.343 38.487 0.040 0.000 0.998 235 N HN 0.354 nan 8.380 nan 0.000 0.424 236 G N 1.267 110.094 108.800 0.045 0.000 2.421 236 G HA2 -0.107 3.853 3.960 0.000 0.000 0.217 236 G HA3 -0.107 3.853 3.960 0.000 0.000 0.217 236 G C 1.697 176.634 174.900 0.061 0.000 1.143 236 G CA 0.029 45.163 45.100 0.058 0.000 0.784 236 G HN 0.217 nan 8.290 nan 0.000 0.541 237 L N -0.143 121.105 121.223 0.042 0.000 2.072 237 L HA -0.001 4.339 4.340 0.000 0.000 0.205 237 L C 2.817 179.716 176.870 0.049 0.000 1.079 237 L CA 1.380 56.242 54.840 0.038 0.000 0.752 237 L CB -0.103 41.969 42.059 0.023 0.000 0.906 237 L HN 0.247 nan 8.230 nan 0.000 0.436 238 E N -0.185 120.041 120.200 0.043 0.000 2.150 238 E HA -0.277 4.074 4.350 0.000 0.000 0.193 238 E C 2.004 178.627 176.600 0.037 0.000 0.985 238 E CA 1.107 57.529 56.400 0.037 0.000 0.814 238 E CB 0.063 29.779 29.700 0.027 0.000 0.752 238 E HN 0.259 nan 8.360 nan 0.000 0.466 239 Q N -0.205 119.627 119.800 0.055 0.000 2.172 239 Q HA 0.116 4.456 4.340 0.000 0.000 0.200 239 Q C 1.881 177.978 176.000 0.163 0.000 0.964 239 Q CA 1.542 57.375 55.803 0.051 0.000 0.855 239 Q CB -0.496 28.298 28.738 0.093 0.000 0.918 239 Q HN 0.301 nan 8.270 nan 0.000 0.444 240 A N 0.613 123.553 122.820 0.200 0.000 1.940 240 A HA -0.217 4.103 4.320 0.000 0.000 0.219 240 A C 1.917 179.628 177.584 0.212 0.000 1.176 240 A CA 1.700 53.877 52.037 0.234 0.000 0.631 240 A CB -0.394 18.671 19.000 0.109 0.000 0.814 240 A HN 0.388 nan 8.150 nan 0.000 0.446 241 K N -0.205 120.278 120.400 0.139 0.000 2.057 241 K HA -0.099 4.221 4.320 0.000 0.000 0.206 241 K C 2.053 178.724 176.600 0.119 0.000 1.050 241 K CA 1.443 57.812 56.287 0.138 0.000 0.935 241 K CB -0.151 32.398 32.500 0.081 0.000 0.715 241 K HN 0.429 nan 8.250 nan 0.000 0.439 242 K N 0.290 120.710 120.400 0.033 0.000 2.002 242 K HA -0.108 4.212 4.320 0.000 0.000 0.209 242 K C 2.048 178.618 176.600 -0.049 0.000 1.048 242 K CA 1.494 57.737 56.287 -0.073 0.000 0.930 242 K CB -0.257 32.111 32.500 -0.220 0.000 0.714 242 K HN -0.006 nan 8.250 nan 0.000 0.438 243 F N 0.624 120.613 119.950 0.065 0.000 2.091 243 F HA -0.243 4.284 4.527 0.000 0.000 0.299 243 F C 2.612 178.486 175.800 0.124 0.000 1.103 243 F CA 1.796 59.843 58.000 0.078 0.000 1.228 243 F CB -0.844 38.200 39.000 0.074 0.000 0.984 243 F HN 0.226 nan 8.300 nan 0.000 0.477 244 H N 0.315 119.513 119.070 0.212 0.000 2.353 244 H HA -0.108 4.448 4.556 0.000 0.000 0.300 244 H C 1.939 177.319 175.328 0.086 0.000 1.090 244 H CA 2.050 58.177 56.048 0.131 0.000 1.327 244 H CB -0.285 29.536 29.762 0.098 0.000 1.383 244 H HN 0.359 nan 8.280 nan 0.000 0.508 245 E N -0.522 119.688 120.200 0.016 0.000 2.150 245 E HA -0.079 4.271 4.350 0.000 0.000 0.193 245 E C 2.263 178.841 176.600 -0.035 0.000 0.985 245 E CA 0.710 57.068 56.400 -0.070 0.000 0.814 245 E CB -0.010 29.669 29.700 -0.035 0.000 0.752 245 E HN 0.564 nan 8.360 nan 0.000 0.466 246 A N 0.978 123.808 122.820 0.017 0.000 1.874 246 A HA -0.070 4.250 4.320 0.000 0.000 0.214 246 A C 2.275 179.887 177.584 0.046 0.000 1.189 246 A CA 1.509 53.562 52.037 0.027 0.000 0.615 246 A CB -0.072 18.951 19.000 0.037 0.000 0.830 246 A HN 0.217 nan 8.150 nan 0.000 0.443 247 V N -4.905 115.062 119.914 0.088 0.000 3.432 247 V HA 0.569 4.689 4.120 0.000 0.000 0.298 247 V C 0.910 177.059 176.094 0.091 0.000 1.464 247 V CA 0.278 62.632 62.300 0.089 0.000 1.046 247 V CB -0.696 31.198 31.823 0.118 0.000 0.887 247 V HN 1.657 nan 8.190 nan 0.000 0.441 248 G N 2.158 111.010 108.800 0.088 0.000 2.540 248 G HA2 -0.192 3.768 3.960 0.000 0.000 0.260 248 G HA3 -0.192 3.768 3.960 0.000 0.000 0.260 248 G C -0.346 174.731 174.900 0.295 0.000 0.993 248 G CA 0.223 45.386 45.100 0.105 0.000 1.327 248 G HN 0.637 nan 8.290 nan 0.000 0.485 249 L N 0.428 121.984 121.223 0.554 0.000 2.499 249 L HA 0.339 4.679 4.340 0.000 0.000 0.281 249 L C 1.918 178.927 176.870 0.232 0.000 1.234 249 L CA 0.864 55.880 54.840 0.294 0.000 0.839 249 L CB 0.425 42.546 42.059 0.104 0.000 1.104 249 L HN 0.712 nan 8.230 nan 0.000 0.500 250 T N -2.840 111.852 114.554 0.229 0.000 3.004 250 T HA 0.427 4.777 4.350 0.000 0.000 0.266 250 T C 0.370 175.198 174.700 0.214 0.000 0.986 250 T CA 0.162 62.396 62.100 0.223 0.000 0.902 250 T CB 0.684 69.704 68.868 0.254 0.000 1.118 250 T HN 0.813 nan 8.240 nan 0.000 0.522 251 G N 0.190 109.107 108.800 0.194 0.000 2.523 251 G HA2 0.538 4.498 3.960 0.000 0.000 0.291 251 G HA3 0.538 4.498 3.960 0.000 0.000 0.291 251 G C -2.203 172.611 174.900 -0.144 0.000 1.450 251 G CA -0.558 44.495 45.100 -0.078 0.000 0.790 251 G HN 0.262 nan 8.290 nan 0.000 0.496 252 V N 0.367 120.118 119.914 -0.273 0.000 2.789 252 V HA 0.594 4.714 4.120 0.000 0.000 0.311 252 V C -0.526 175.404 176.094 -0.274 0.000 1.073 252 V CA -0.634 61.530 62.300 -0.227 0.000 0.921 252 V CB 1.956 33.647 31.823 -0.221 0.000 1.009 252 V HN 0.673 nan 8.190 nan 0.000 0.426 253 I N 3.817 124.275 120.570 -0.187 0.000 2.382 253 I HA 0.455 4.625 4.170 0.000 0.000 0.286 253 I C -0.728 175.312 176.117 -0.128 0.000 1.002 253 I CA -0.674 60.539 61.300 -0.145 0.000 1.135 253 I CB 1.887 39.823 38.000 -0.106 0.000 1.288 253 I HN 0.284 nan 8.210 nan 0.000 0.448 254 V N 5.310 125.145 119.914 -0.132 0.000 2.347 254 V HA 0.372 4.492 4.120 0.000 0.000 0.280 254 V C 0.493 176.548 176.094 -0.065 0.000 1.021 254 V CA -0.530 61.703 62.300 -0.111 0.000 0.847 254 V CB 1.445 33.180 31.823 -0.146 0.000 0.990 254 V HN 0.830 nan 8.190 nan 0.000 0.444 255 T N 1.236 115.757 114.554 -0.055 0.000 2.927 255 T HA 0.517 4.867 4.350 0.000 0.000 0.281 255 T C 0.061 174.749 174.700 -0.020 0.000 0.998 255 T CA -0.806 61.270 62.100 -0.041 0.000 1.019 255 T CB 0.880 69.717 68.868 -0.052 0.000 1.061 255 T HN 0.660 nan 8.240 nan 0.000 0.518 256 K N 0.245 120.637 120.400 -0.013 0.000 3.419 256 K HA -0.150 4.170 4.320 0.000 0.000 0.272 256 K C 0.336 176.942 176.600 0.011 0.000 0.973 256 K CA 0.104 56.389 56.287 -0.003 0.000 0.749 256 K CB -1.414 31.083 32.500 -0.006 0.000 1.403 256 K HN 0.483 nan 8.250 nan 0.000 0.456 257 L N 1.529 122.768 121.223 0.027 0.000 2.179 257 L HA -0.113 4.227 4.340 0.000 0.000 0.208 257 L C 2.193 179.085 176.870 0.036 0.000 1.096 257 L CA 2.177 57.048 54.840 0.052 0.000 0.779 257 L CB -0.087 42.033 42.059 0.103 0.000 0.922 257 L HN 0.462 nan 8.230 nan 0.000 0.443 258 D N -1.724 118.688 120.400 0.019 0.000 2.312 258 D HA -0.091 4.549 4.640 0.000 0.000 0.211 258 D C 1.767 178.067 176.300 0.001 0.000 0.964 258 D CA 1.037 55.039 54.000 0.003 0.000 0.877 258 D CB -0.510 40.286 40.800 -0.006 0.000 0.924 258 D HN 0.353 nan 8.370 nan 0.000 0.515 259 G N -0.761 108.043 108.800 0.006 0.000 3.141 259 G HA2 0.095 4.055 3.960 0.000 0.000 0.218 259 G HA3 0.095 4.055 3.960 0.000 0.000 0.218 259 G C 0.238 175.142 174.900 0.007 0.000 1.170 259 G CA 0.103 45.206 45.100 0.004 0.000 0.769 259 G HN 0.385 nan 8.290 nan 0.000 0.546 260 T N -1.444 113.117 114.554 0.011 0.000 2.906 260 T HA 0.543 4.893 4.350 0.000 0.000 0.295 260 T C 0.733 175.441 174.700 0.014 0.000 1.061 260 T CA 0.242 62.351 62.100 0.014 0.000 1.000 260 T CB 1.695 70.575 68.868 0.020 0.000 1.103 260 T HN 0.072 nan 8.240 nan 0.000 0.486 261 A N 2.682 125.510 122.820 0.012 0.000 2.251 261 A HA 0.294 4.614 4.320 0.000 0.000 0.209 261 A C 1.282 178.880 177.584 0.022 0.000 1.187 261 A CA 0.267 52.311 52.037 0.011 0.000 0.823 261 A CB -0.168 18.836 19.000 0.006 0.000 0.846 261 A HN 0.725 nan 8.150 nan 0.000 0.486 262 K N 0.299 120.717 120.400 0.030 0.000 2.827 262 K HA 0.136 4.456 4.320 0.000 0.000 0.222 262 K C 1.346 177.987 176.600 0.068 0.000 1.114 262 K CA 0.231 56.543 56.287 0.041 0.000 1.206 262 K CB 0.073 32.592 32.500 0.031 0.000 1.035 262 K HN 0.381 nan 8.250 nan 0.000 0.464 263 G N 0.463 109.318 108.800 0.091 0.000 2.498 263 G HA2 -0.196 3.764 3.960 0.000 0.000 0.219 263 G HA3 -0.196 3.764 3.960 0.000 0.000 0.219 263 G C 1.269 176.330 174.900 0.269 0.000 1.119 263 G CA 0.612 45.819 45.100 0.179 0.000 0.766 263 G HN 0.467 nan 8.290 nan 0.000 0.552 264 G N -0.063 108.844 108.800 0.179 0.000 2.679 264 G HA2 -0.005 3.955 3.960 0.000 0.000 0.212 264 G HA3 -0.005 3.955 3.960 0.000 0.000 0.212 264 G C 1.515 176.482 174.900 0.111 0.000 1.137 264 G CA 0.646 45.855 45.100 0.182 0.000 0.787 264 G HN 0.332 nan 8.290 nan 0.000 0.534 265 V N 0.391 120.348 119.914 0.071 0.000 2.720 265 V HA -0.096 4.024 4.120 0.000 0.000 0.256 265 V C 2.666 178.747 176.094 -0.021 0.000 1.082 265 V CA 1.202 63.516 62.300 0.024 0.000 1.101 265 V CB -0.224 31.607 31.823 0.012 0.000 0.693 265 V HN 0.273 nan 8.190 nan 0.000 0.479 266 L N -0.352 120.840 121.223 -0.052 0.000 2.187 266 L HA -0.160 4.180 4.340 0.000 0.000 0.213 266 L C 2.093 178.883 176.870 -0.134 0.000 1.100 266 L CA 1.988 56.722 54.840 -0.177 0.000 0.765 266 L CB -0.667 41.163 42.059 -0.381 0.000 0.904 266 L HN 0.303 nan 8.230 nan 0.000 0.437 267 I N -0.474 120.072 120.570 -0.040 0.000 2.133 267 I HA -0.199 3.971 4.170 0.000 0.000 0.238 267 I C -0.237 175.867 176.117 -0.021 0.000 1.074 267 I CA 1.277 62.571 61.300 -0.011 0.000 1.342 267 I CB -1.257 36.770 38.000 0.045 0.000 1.053 267 I HN 0.209 nan 8.210 nan 0.000 0.404 268 P HA -0.166 nan 4.420 nan 0.000 0.215 268 P C 1.836 179.118 177.300 -0.031 0.000 1.153 268 P CA 1.613 64.707 63.100 -0.010 0.000 0.853 268 P CB -0.035 31.665 31.700 -0.001 0.000 0.788 269 I N -1.051 119.486 120.570 -0.056 0.000 2.091 269 I HA -0.256 3.914 4.170 0.000 0.000 0.239 269 I C 2.280 178.339 176.117 -0.098 0.000 1.061 269 I CA 1.615 62.866 61.300 -0.082 0.000 1.317 269 I CB -0.997 36.930 38.000 -0.123 0.000 1.031 269 I HN -0.176 nan 8.210 nan 0.000 0.401 270 V N 0.700 120.541 119.914 -0.121 0.000 2.287 270 V HA -0.313 3.807 4.120 0.000 0.000 0.248 270 V C 2.557 178.615 176.094 -0.061 0.000 1.053 270 V CA 1.962 64.195 62.300 -0.112 0.000 1.027 270 V CB -0.793 30.959 31.823 -0.117 0.000 0.646 270 V HN 0.368 nan 8.190 nan 0.000 0.447 271 R N -0.618 119.860 120.500 -0.037 0.000 2.120 271 R HA -0.135 4.205 4.340 0.000 0.000 0.234 271 R C 2.360 178.657 176.300 -0.005 0.000 1.123 271 R CA 1.880 57.972 56.100 -0.012 0.000 0.975 271 R CB -0.495 29.805 30.300 -0.001 0.000 0.866 271 R HN 0.544 nan 8.270 nan 0.000 0.446 272 T N 0.920 115.467 114.554 -0.012 0.000 2.770 272 T HA 0.012 4.362 4.350 0.000 0.000 0.258 272 T C 1.758 176.463 174.700 0.009 0.000 1.039 272 T CA 0.866 62.968 62.100 0.004 0.000 1.143 272 T CB 0.024 68.894 68.868 0.003 0.000 0.866 272 T HN 0.111 nan 8.240 nan 0.000 0.428 273 L N 0.208 121.412 121.223 -0.032 0.000 2.375 273 L HA 0.226 4.566 4.340 0.000 0.000 0.215 273 L C 0.738 177.555 176.870 -0.089 0.000 1.108 273 L CA 0.345 55.138 54.840 -0.078 0.000 0.830 273 L CB -0.327 41.623 42.059 -0.181 0.000 0.959 273 L HN 0.213 nan 8.230 nan 0.000 0.457 274 K N 0.286 120.655 120.400 -0.052 0.000 3.071 274 K HA -0.155 4.165 4.320 0.000 0.000 0.265 274 K C -0.546 176.024 176.600 -0.051 0.000 1.060 274 K CA 0.628 56.902 56.287 -0.021 0.000 0.767 274 K CB -2.024 30.502 32.500 0.044 0.000 1.241 274 K HN 0.351 nan 8.250 nan 0.000 0.486 275 V N -3.442 116.398 119.914 -0.123 0.000 2.962 275 V HA 0.756 4.876 4.120 0.000 0.000 0.313 275 V C -2.500 173.517 176.094 -0.127 0.000 1.099 275 V CA -2.360 59.869 62.300 -0.119 0.000 0.971 275 V CB 2.173 33.877 31.823 -0.199 0.000 1.028 275 V HN -0.090 nan 8.190 nan 0.000 0.430 276 P HA 0.463 nan 4.420 nan 0.000 0.277 276 P C -0.371 176.780 177.300 -0.248 0.000 1.240 276 P CA -0.352 62.663 63.100 -0.140 0.000 0.798 276 P CB 1.145 32.804 31.700 -0.068 0.000 0.979 277 I N 2.884 123.217 120.570 -0.394 0.000 2.496 277 I HA 0.053 4.223 4.170 0.000 0.000 0.285 277 I C 1.689 177.566 176.117 -0.401 0.000 1.080 277 I CA -0.110 60.853 61.300 -0.561 0.000 1.404 277 I CB 0.586 37.885 38.000 -1.168 0.000 1.403 277 I HN 0.255 nan 8.210 nan 0.000 0.539 278 K N 5.056 125.213 120.400 -0.404 0.000 2.190 278 K HA 0.277 4.597 4.320 0.000 0.000 0.202 278 K C -0.151 176.160 176.600 -0.481 0.000 1.045 278 K CA 0.979 56.985 56.287 -0.468 0.000 0.976 278 K CB 0.300 32.311 32.500 -0.815 0.000 0.849 278 K HN 0.340 nan 8.250 nan 0.000 0.468 279 F N -0.694 119.084 119.950 -0.286 0.000 2.599 279 F HA 0.384 4.911 4.527 0.000 0.000 0.311 279 F C -0.666 175.060 175.800 -0.123 0.000 1.076 279 F CA -1.115 56.786 58.000 -0.165 0.000 0.937 279 F CB 2.173 41.036 39.000 -0.229 0.000 1.282 279 F HN -0.410 nan 8.300 nan 0.000 0.460 280 V N 1.429 121.453 119.914 0.184 0.000 2.588 280 V HA 0.759 4.879 4.120 0.000 0.000 0.304 280 V C -0.342 175.803 176.094 0.086 0.000 1.042 280 V CA -0.475 61.890 62.300 0.109 0.000 0.877 280 V CB 1.803 33.740 31.823 0.189 0.000 0.996 280 V HN 0.841 nan 8.190 nan 0.000 0.425 281 G N 4.691 113.510 108.800 0.031 0.000 2.741 281 G HA2 0.344 4.304 3.960 0.000 0.000 0.301 281 G HA3 0.344 4.304 3.960 0.000 0.000 0.301 281 G C 0.776 175.694 174.900 0.029 0.000 0.834 281 G CA 0.349 45.454 45.100 0.008 0.000 1.683 281 G HN 1.442 nan 8.290 nan 0.000 0.506 282 V N 1.106 121.044 119.914 0.041 0.000 3.510 282 V HA 0.515 4.635 4.120 0.000 0.000 0.270 282 V C 0.984 177.082 176.094 0.007 0.000 1.201 282 V CA 0.681 63.000 62.300 0.031 0.000 1.166 282 V CB -0.968 30.870 31.823 0.025 0.000 0.825 282 V HN 0.753 nan 8.190 nan 0.000 0.484 283 G N -0.855 107.946 108.800 0.001 0.000 2.488 283 G HA2 0.436 4.396 3.960 0.000 0.000 0.301 283 G HA3 0.436 4.396 3.960 0.000 0.000 0.301 283 G C -0.485 174.406 174.900 -0.014 0.000 1.339 283 G CA -0.043 45.053 45.100 -0.006 0.000 0.803 283 G HN -0.054 nan 8.290 nan 0.000 0.482 284 E N -0.345 119.848 120.200 -0.012 0.000 2.474 284 E HA 0.168 4.518 4.350 0.000 0.000 0.195 284 E C 1.431 178.021 176.600 -0.017 0.000 1.039 284 E CA 0.293 56.684 56.400 -0.016 0.000 0.881 284 E CB 0.912 30.610 29.700 -0.004 0.000 0.970 284 E HN 0.569 nan 8.360 nan 0.000 0.486 285 G N 2.184 110.975 108.800 -0.014 0.000 2.606 285 G HA2 0.125 4.085 3.960 0.000 0.000 0.252 285 G HA3 0.125 4.085 3.960 0.000 0.000 0.252 285 G C -1.696 173.184 174.900 -0.032 0.000 1.206 285 G CA -0.897 44.197 45.100 -0.011 0.000 0.861 285 G HN -0.118 nan 8.290 nan 0.000 0.561 286 P HA -0.049 nan 4.420 nan 0.000 0.218 286 P C 0.695 177.962 177.300 -0.055 0.000 1.148 286 P CA 1.142 64.214 63.100 -0.047 0.000 0.822 286 P CB 0.293 31.986 31.700 -0.011 0.000 0.784 287 D N -1.824 118.563 120.400 -0.022 0.000 2.402 287 D HA 0.013 4.653 4.640 0.000 0.000 0.216 287 D C 0.612 176.900 176.300 -0.019 0.000 1.128 287 D CA 0.206 54.200 54.000 -0.010 0.000 0.833 287 D CB -0.235 40.589 40.800 0.039 0.000 0.971 287 D HN 0.101 nan 8.370 nan 0.000 0.503 288 D N 0.114 120.492 120.400 -0.036 0.000 2.355 288 D HA 0.033 4.674 4.640 0.000 0.000 0.218 288 D C 0.634 176.918 176.300 -0.027 0.000 1.004 288 D CA 0.149 54.138 54.000 -0.018 0.000 0.880 288 D CB 0.643 41.433 40.800 -0.016 0.000 0.911 288 D HN 0.227 nan 8.370 nan 0.000 0.528 289 L N 2.469 123.636 121.223 -0.094 0.000 2.334 289 L HA 0.157 4.497 4.340 0.000 0.000 0.286 289 L C 0.523 177.399 176.870 0.010 0.000 1.108 289 L CA -0.340 54.444 54.840 -0.093 0.000 0.875 289 L CB 0.322 42.198 42.059 -0.305 0.000 1.246 289 L HN -0.039 nan 8.230 nan 0.000 0.439 290 Q N 4.245 124.124 119.800 0.132 0.000 2.235 290 Q HA 0.562 4.902 4.340 0.000 0.000 0.256 290 Q C -2.633 173.455 176.000 0.147 0.000 0.951 290 Q CA -2.365 53.533 55.803 0.159 0.000 0.890 290 Q CB 1.349 30.193 28.738 0.177 0.000 1.279 290 Q HN 0.219 nan 8.270 nan 0.000 0.444 291 P HA -0.090 nan 4.420 nan 0.000 0.265 291 P C -1.314 175.914 177.300 -0.121 0.000 1.187 291 P CA 0.215 63.084 63.100 -0.385 0.000 0.766 291 P CB 0.192 31.731 31.700 -0.268 0.000 0.820 292 F N 2.787 122.563 119.950 -0.291 0.000 2.396 292 F HA 0.362 4.889 4.527 0.000 0.000 0.343 292 F C 0.104 175.854 175.800 -0.085 0.000 1.104 292 F CA -0.025 57.889 58.000 -0.144 0.000 1.161 292 F CB 0.812 39.692 39.000 -0.199 0.000 1.146 292 F HN 0.191 nan 8.300 nan 0.000 0.522 293 D N 7.721 127.601 120.400 -0.866 0.000 2.575 293 D HA 0.364 5.005 4.640 0.000 0.000 0.250 293 D C -2.302 173.541 176.300 -0.761 0.000 1.279 293 D CA -2.235 51.434 54.000 -0.551 0.000 0.925 293 D CB 2.163 42.856 40.800 -0.177 0.000 1.261 293 D HN 0.106 nan 8.370 nan 0.000 0.567 294 P HA -0.201 nan 4.420 nan 0.000 0.214 294 P C 0.879 178.157 177.300 -0.038 0.000 1.169 294 P CA 1.474 64.462 63.100 -0.187 0.000 0.908 294 P CB 0.279 32.013 31.700 0.056 0.000 0.791 295 E N -0.576 119.610 120.200 -0.023 0.000 2.058 295 E HA -0.211 4.139 4.350 0.000 0.000 0.194 295 E C 2.130 178.757 176.600 0.044 0.000 0.997 295 E CA 1.390 57.800 56.400 0.017 0.000 0.801 295 E CB -0.701 29.002 29.700 0.006 0.000 0.746 295 E HN 0.155 nan 8.360 nan 0.000 0.450 296 A N 1.121 123.970 122.820 0.049 0.000 1.908 296 A HA -0.216 4.104 4.320 0.000 0.000 0.218 296 A C 2.012 179.653 177.584 0.096 0.000 1.181 296 A CA 1.375 53.498 52.037 0.143 0.000 0.627 296 A CB -0.790 18.345 19.000 0.225 0.000 0.818 296 A HN 0.329 nan 8.150 nan 0.000 0.445 297 F N 0.621 120.479 119.950 -0.153 0.000 2.102 297 F HA -0.140 4.387 4.527 0.000 0.000 0.298 297 F C 2.250 178.030 175.800 -0.033 0.000 1.105 297 F CA 1.995 59.923 58.000 -0.120 0.000 1.239 297 F CB -0.252 38.667 39.000 -0.136 0.000 0.991 297 F HN 0.024 nan 8.300 nan 0.000 0.474 298 V N 0.235 120.233 119.914 0.141 0.000 2.490 298 V HA -0.267 3.853 4.120 0.000 0.000 0.250 298 V C 2.276 178.350 176.094 -0.033 0.000 1.061 298 V CA 2.051 64.384 62.300 0.054 0.000 1.064 298 V CB -0.724 31.165 31.823 0.109 0.000 0.670 298 V HN 0.332 nan 8.190 nan 0.000 0.461 299 E N 1.084 121.293 120.200 0.015 0.000 2.031 299 E HA -0.170 4.180 4.350 0.000 0.000 0.193 299 E C 2.169 178.810 176.600 0.068 0.000 0.994 299 E CA 1.771 58.209 56.400 0.062 0.000 0.800 299 E CB -0.531 29.261 29.700 0.152 0.000 0.752 299 E HN 0.482 nan 8.360 nan 0.000 0.447 300 A N 0.383 123.181 122.820 -0.038 0.000 1.933 300 A HA -0.109 4.211 4.320 0.000 0.000 0.218 300 A C 2.219 179.638 177.584 -0.275 0.000 1.175 300 A CA 1.419 53.274 52.037 -0.303 0.000 0.628 300 A CB -0.791 17.809 19.000 -0.666 0.000 0.814 300 A HN 0.389 nan 8.150 nan 0.000 0.444 301 L N -0.693 120.326 121.223 -0.340 0.000 2.083 301 L HA -0.105 4.235 4.340 0.000 0.000 0.209 301 L C 2.062 178.862 176.870 -0.117 0.000 1.083 301 L CA 1.774 56.432 54.840 -0.302 0.000 0.752 301 L CB -0.179 41.648 42.059 -0.386 0.000 0.899 301 L HN 0.424 nan 8.230 nan 0.000 0.433 302 L N -1.696 119.490 121.223 -0.062 0.000 2.347 302 L HA 0.119 4.459 4.340 0.000 0.000 0.196 302 L C 1.052 177.940 176.870 0.030 0.000 1.072 302 L CA -0.155 54.702 54.840 0.029 0.000 0.817 302 L CB -0.730 41.341 42.059 0.020 0.000 1.029 302 L HN 0.106 nan 8.230 nan 0.000 0.478 303 E N 2.194 122.395 120.200 0.002 0.000 2.565 303 E HA -0.149 4.201 4.350 0.000 0.000 0.268 303 E C -0.479 176.146 176.600 0.040 0.000 1.000 303 E CA 0.848 57.263 56.400 0.025 0.000 0.964 303 E CB 0.288 30.035 29.700 0.079 0.000 0.955 303 E HN 0.300 nan 8.360 nan 0.000 0.459 304 D N 0.000 120.427 120.400 0.045 0.000 6.856 304 D HA 0.000 4.640 4.640 0.000 0.000 0.175 304 D CA 0.000 54.025 54.000 0.042 0.000 0.868 304 D CB 0.000 40.814 40.800 0.024 0.000 0.688 304 D HN 0.000 nan 8.370 nan 0.000 0.683