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 2jah_1_A DATA FIRST_RESID 3 DATA SEQUENCE SALQGKVALI TGASSGIGEA TARALAAEGA AVAIAARRVE KLRALGDELT DATA SEQUENCE AAGAKVHVLE LDVADRQGVD AAVASTVEAL GGLDILVNNA GIXLLGPVED DATA SEQUENCE ADTTDWTRXI DTNLLGLXYX TRAALPHLLR SKGTVVQXSS IAGRVNVRNA DATA SEQUENCE AVYQATKFGV NAFSETLRQE VTERGVRVVV IEPGTTDTEL RGHITHTATK DATA SEQUENCE EXYEQRISQI RKLQAQDIAE AVRYAVTAPH HATVHEIFIR PTDQV 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.607 174.600 0.012 0.000 1.055 3 S CA 0.000 58.208 58.200 0.012 0.000 1.107 3 S CB 0.000 63.206 63.200 0.011 0.000 0.593 4 A N 0.894 123.722 122.820 0.014 0.000 2.119 4 A HA 0.243 4.564 4.320 0.001 0.000 0.217 4 A C 1.127 178.717 177.584 0.009 0.000 1.153 4 A CA 0.958 53.003 52.037 0.012 0.000 0.692 4 A CB -0.229 18.779 19.000 0.014 0.000 0.799 4 A HN 0.656 nan 8.150 nan 0.000 0.458 5 L N -0.549 120.679 121.223 0.009 0.000 3.066 5 L HA 0.195 4.536 4.340 0.001 0.000 0.265 5 L C 0.293 177.167 176.870 0.007 0.000 1.232 5 L CA -0.537 54.307 54.840 0.007 0.000 1.031 5 L CB 0.115 42.179 42.059 0.008 0.000 1.379 5 L HN 0.231 nan 8.230 nan 0.000 0.563 6 Q N 1.182 120.986 119.800 0.007 0.000 2.283 6 Q HA 0.208 4.548 4.340 0.001 0.000 0.301 6 Q C 1.336 177.339 176.000 0.004 0.000 1.063 6 Q CA 1.610 57.416 55.803 0.006 0.000 0.952 6 Q CB 0.571 29.312 28.738 0.006 0.000 1.166 6 Q HN 0.442 nan 8.270 nan 0.000 0.381 7 G N 2.772 111.574 108.800 0.003 0.000 2.205 7 G HA2 -0.235 3.726 3.960 0.001 0.000 0.261 7 G HA3 -0.235 3.726 3.960 0.001 0.000 0.261 7 G C -0.159 174.740 174.900 -0.001 0.000 0.980 7 G CA 0.307 45.407 45.100 0.000 0.000 0.632 7 G HN 0.502 nan 8.290 nan 0.000 0.533 8 K N 0.111 120.512 120.400 0.002 0.000 2.087 8 K HA 0.688 5.008 4.320 0.001 0.000 0.255 8 K C 0.038 176.639 176.600 0.002 0.000 0.988 8 K CA -0.586 55.702 56.287 0.002 0.000 0.915 8 K CB 2.168 34.671 32.500 0.005 0.000 1.043 8 K HN 0.163 nan 8.250 nan 0.000 0.457 9 V N 1.170 121.085 119.914 0.001 0.000 2.448 9 V HA 0.501 4.621 4.120 0.001 0.000 0.295 9 V C -0.427 175.670 176.094 0.004 0.000 1.025 9 V CA -1.005 61.294 62.300 -0.001 0.000 0.859 9 V CB 1.492 33.305 31.823 -0.016 0.000 0.988 9 V HN 0.844 nan 8.190 nan 0.000 0.431 10 A N 5.030 127.857 122.820 0.010 0.000 2.342 10 A HA 0.881 5.201 4.320 0.001 0.000 0.323 10 A C -1.176 176.420 177.584 0.020 0.000 1.125 10 A CA -0.553 51.493 52.037 0.015 0.000 0.785 10 A CB 1.384 20.395 19.000 0.017 0.000 1.221 10 A HN 0.808 nan 8.150 nan 0.000 0.463 11 L N 3.275 124.510 121.223 0.021 0.000 2.305 11 L HA 0.755 5.095 4.340 0.001 0.000 0.284 11 L C -1.317 175.570 176.870 0.028 0.000 1.013 11 L CA -0.390 54.466 54.840 0.027 0.000 0.819 11 L CB 0.771 42.844 42.059 0.023 0.000 1.227 11 L HN 0.515 nan 8.230 nan 0.000 0.417 12 I N 4.338 124.924 120.570 0.027 0.000 2.410 12 I HA 0.434 4.604 4.170 0.001 0.000 0.286 12 I C 0.380 176.510 176.117 0.023 0.000 1.009 12 I CA -0.225 61.090 61.300 0.025 0.000 1.111 12 I CB 1.946 39.959 38.000 0.023 0.000 1.262 12 I HN 0.728 nan 8.210 nan 0.000 0.443 13 T N 1.643 116.212 114.554 0.024 0.000 2.899 13 T HA 0.585 4.936 4.350 0.001 0.000 0.284 13 T C 0.942 175.653 174.700 0.019 0.000 1.004 13 T CA -0.120 61.993 62.100 0.021 0.000 1.043 13 T CB 1.435 70.317 68.868 0.023 0.000 1.013 13 T HN 1.200 nan 8.240 nan 0.000 0.518 14 G N 0.489 109.298 108.800 0.015 0.000 2.295 14 G HA2 -0.013 3.947 3.960 0.001 0.000 0.287 14 G HA3 -0.013 3.947 3.960 0.001 0.000 0.287 14 G C 0.657 175.568 174.900 0.020 0.000 1.055 14 G CA 0.019 45.129 45.100 0.016 0.000 0.922 14 G HN 1.505 nan 8.290 nan 0.000 0.503 15 A N -0.283 122.547 122.820 0.016 0.000 2.275 15 A HA 0.511 4.831 4.320 0.001 0.000 0.212 15 A C 2.321 179.915 177.584 0.017 0.000 1.201 15 A CA 1.565 53.612 52.037 0.017 0.000 0.843 15 A CB -0.187 18.821 19.000 0.013 0.000 0.873 15 A HN 1.600 nan 8.150 nan 0.000 0.492 16 S N -0.232 115.478 115.700 0.017 0.000 2.489 16 S HA 0.124 4.595 4.470 0.001 0.000 0.228 16 S C 0.889 175.505 174.600 0.026 0.000 0.995 16 S CA 0.697 58.908 58.200 0.018 0.000 0.934 16 S CB -0.426 62.785 63.200 0.017 0.000 0.771 16 S HN 1.000 nan 8.310 nan 0.000 0.522 17 S N -1.310 114.409 115.700 0.033 0.000 2.752 17 S HA 0.749 5.220 4.470 0.001 0.000 0.284 17 S C 0.581 175.205 174.600 0.040 0.000 1.189 17 S CA -0.411 57.812 58.200 0.038 0.000 0.835 17 S CB 0.655 63.886 63.200 0.052 0.000 1.192 17 S HN 1.490 nan 8.310 nan 0.000 0.506 18 G N 1.089 109.915 108.800 0.043 0.000 2.582 18 G HA2 -0.281 3.680 3.960 0.001 0.000 0.288 18 G HA3 -0.281 3.680 3.960 0.001 0.000 0.288 18 G C 0.682 175.606 174.900 0.041 0.000 1.247 18 G CA 0.446 45.574 45.100 0.046 0.000 0.972 18 G HN 1.229 nan 8.290 nan 0.000 0.557 19 I N 1.744 122.341 120.570 0.045 0.000 2.264 19 I HA -0.081 4.089 4.170 0.001 0.000 0.248 19 I C 3.063 179.201 176.117 0.036 0.000 1.111 19 I CA 1.920 63.245 61.300 0.042 0.000 1.382 19 I CB -0.700 37.328 38.000 0.047 0.000 1.060 19 I HN 0.640 nan 8.210 nan 0.000 0.418 20 G N 0.061 108.881 108.800 0.034 0.000 2.421 20 G HA2 -0.280 3.680 3.960 0.001 0.000 0.216 20 G HA3 -0.280 3.680 3.960 0.001 0.000 0.216 20 G C 1.544 176.459 174.900 0.026 0.000 1.171 20 G CA 0.780 45.897 45.100 0.029 0.000 0.775 20 G HN 0.445 nan 8.290 nan 0.000 0.543 21 E N 0.484 120.700 120.200 0.027 0.000 2.058 21 E HA -0.098 4.253 4.350 0.001 0.000 0.194 21 E C 2.789 179.403 176.600 0.023 0.000 0.997 21 E CA 1.077 57.491 56.400 0.023 0.000 0.801 21 E CB -0.248 29.466 29.700 0.024 0.000 0.746 21 E HN 0.330 nan 8.360 nan 0.000 0.450 22 A N 0.179 123.015 122.820 0.026 0.000 1.933 22 A HA -0.142 4.178 4.320 0.001 0.000 0.218 22 A C 2.343 179.943 177.584 0.025 0.000 1.175 22 A CA 1.911 53.963 52.037 0.025 0.000 0.628 22 A CB -0.777 18.239 19.000 0.027 0.000 0.814 22 A HN 0.331 nan 8.150 nan 0.000 0.444 23 T N 0.285 114.855 114.554 0.027 0.000 2.737 23 T HA 0.007 4.357 4.350 0.001 0.000 0.265 23 T C 2.276 176.991 174.700 0.024 0.000 1.038 23 T CA 1.495 63.611 62.100 0.026 0.000 1.144 23 T CB -0.484 68.400 68.868 0.027 0.000 0.866 23 T HN 0.596 nan 8.240 nan 0.000 0.434 24 A N 2.101 124.935 122.820 0.022 0.000 1.892 24 A HA -0.204 4.117 4.320 0.001 0.000 0.218 24 A C 2.382 179.978 177.584 0.020 0.000 1.188 24 A CA 1.721 53.771 52.037 0.021 0.000 0.631 24 A CB -0.578 18.433 19.000 0.019 0.000 0.822 24 A HN 0.433 nan 8.150 nan 0.000 0.447 25 R N -0.708 119.804 120.500 0.019 0.000 2.083 25 R HA -0.105 4.236 4.340 0.001 0.000 0.237 25 R C 2.532 178.843 176.300 0.019 0.000 1.137 25 R CA 1.309 57.420 56.100 0.018 0.000 0.951 25 R CB -0.538 29.773 30.300 0.018 0.000 0.851 25 R HN 0.529 nan 8.270 nan 0.000 0.434 26 A N 1.308 124.141 122.820 0.021 0.000 1.902 26 A HA -0.120 4.201 4.320 0.001 0.000 0.217 26 A C 2.219 179.816 177.584 0.022 0.000 1.181 26 A CA 1.173 53.224 52.037 0.023 0.000 0.623 26 A CB -0.531 18.485 19.000 0.027 0.000 0.818 26 A HN 0.167 nan 8.150 nan 0.000 0.443 27 L N -0.882 120.354 121.223 0.021 0.000 2.056 27 L HA -0.163 4.177 4.340 0.001 0.000 0.207 27 L C 3.102 179.982 176.870 0.017 0.000 1.078 27 L CA 0.989 55.840 54.840 0.018 0.000 0.749 27 L CB -0.640 41.430 42.059 0.018 0.000 0.901 27 L HN 0.434 nan 8.230 nan 0.000 0.433 28 A N 0.325 123.155 122.820 0.017 0.000 1.902 28 A HA -0.188 4.132 4.320 0.001 0.000 0.217 28 A C 2.541 180.134 177.584 0.015 0.000 1.181 28 A CA 1.760 53.807 52.037 0.016 0.000 0.623 28 A CB -0.718 18.292 19.000 0.017 0.000 0.818 28 A HN 0.397 nan 8.150 nan 0.000 0.443 29 A N -0.633 122.197 122.820 0.016 0.000 2.024 29 A HA -0.128 4.192 4.320 0.001 0.000 0.220 29 A C 1.730 179.323 177.584 0.015 0.000 1.164 29 A CA 1.618 53.664 52.037 0.015 0.000 0.643 29 A CB -0.314 18.695 19.000 0.016 0.000 0.806 29 A HN 0.433 nan 8.150 nan 0.000 0.451 30 E N -1.302 118.908 120.200 0.016 0.000 2.502 30 E HA 0.173 4.524 4.350 0.001 0.000 0.194 30 E C 1.248 177.855 176.600 0.013 0.000 1.062 30 E CA 0.679 57.089 56.400 0.015 0.000 0.867 30 E CB -0.146 29.564 29.700 0.016 0.000 0.888 30 E HN 0.799 nan 8.360 nan 0.000 0.510 31 G N 0.840 109.648 108.800 0.012 0.000 2.175 31 G HA2 -0.275 3.685 3.960 0.001 0.000 0.244 31 G HA3 -0.275 3.685 3.960 0.001 0.000 0.244 31 G C 0.511 175.417 174.900 0.010 0.000 0.982 31 G CA 0.106 45.212 45.100 0.011 0.000 0.641 31 G HN 0.491 nan 8.290 nan 0.000 0.527 32 A N 0.269 123.095 122.820 0.011 0.000 2.440 32 A HA 0.805 5.126 4.320 0.001 0.000 0.251 32 A C 0.996 178.588 177.584 0.012 0.000 1.089 32 A CA 0.943 52.986 52.037 0.011 0.000 0.779 32 A CB 0.492 19.499 19.000 0.012 0.000 1.022 32 A HN 2.092 nan 8.150 nan 0.000 0.492 33 A N 1.764 124.591 122.820 0.010 0.000 2.450 33 A HA 0.491 4.811 4.320 0.001 0.000 0.255 33 A C 0.324 177.920 177.584 0.020 0.000 1.096 33 A CA 0.276 52.321 52.037 0.014 0.000 0.778 33 A CB -0.362 18.642 19.000 0.007 0.000 1.031 33 A HN 2.053 nan 8.150 nan 0.000 0.494 34 V N 0.376 120.308 119.914 0.030 0.000 2.448 34 V HA 0.827 4.948 4.120 0.001 0.000 0.295 34 V C 0.152 176.280 176.094 0.058 0.000 1.025 34 V CA -0.409 61.912 62.300 0.035 0.000 0.859 34 V CB 1.021 32.861 31.823 0.028 0.000 0.988 34 V HN 1.425 nan 8.190 nan 0.000 0.431 35 A N 7.000 129.857 122.820 0.063 0.000 2.249 35 A HA 0.842 5.163 4.320 0.001 0.000 0.314 35 A C -0.109 177.502 177.584 0.046 0.000 1.290 35 A CA -0.657 51.436 52.037 0.093 0.000 0.893 35 A CB 0.220 19.298 19.000 0.130 0.000 1.165 35 A HN 1.445 nan 8.150 nan 0.000 0.530 36 I N 0.478 121.059 120.570 0.018 0.000 2.378 36 I HA 0.823 4.993 4.170 0.001 0.000 0.291 36 I C -0.032 176.076 176.117 -0.014 0.000 0.992 36 I CA -0.717 60.586 61.300 0.004 0.000 1.154 36 I CB 1.942 39.943 38.000 0.001 0.000 1.315 36 I HN 0.523 nan 8.210 nan 0.000 0.448 37 A N 4.852 127.670 122.820 -0.002 0.000 2.371 37 A HA 1.029 5.350 4.320 0.001 0.000 0.311 37 A C -0.446 177.137 177.584 -0.001 0.000 1.068 37 A CA -0.123 51.910 52.037 -0.006 0.000 0.744 37 A CB 1.645 20.648 19.000 0.005 0.000 1.239 37 A HN 1.474 nan 8.150 nan 0.000 0.435 38 A N 1.361 124.178 122.820 -0.006 0.000 2.456 38 A HA 0.633 4.954 4.320 0.001 0.000 0.294 38 A C 0.188 177.769 177.584 -0.005 0.000 1.057 38 A CA -0.447 51.589 52.037 -0.002 0.000 0.623 38 A CB 0.190 19.191 19.000 0.002 0.000 1.338 38 A HN 0.733 nan 8.150 nan 0.000 0.464 39 R N -0.384 120.114 120.500 -0.003 0.000 2.100 39 R HA 0.081 4.422 4.340 0.001 0.000 0.220 39 R C 0.276 176.576 176.300 -0.000 0.000 1.091 39 R CA 0.714 56.813 56.100 -0.002 0.000 0.986 39 R CB -0.049 30.249 30.300 -0.002 0.000 0.888 39 R HN 0.559 nan 8.270 nan 0.000 0.444 40 R N 1.802 122.304 120.500 0.004 0.000 2.441 40 R HA 0.045 4.385 4.340 0.001 0.000 0.300 40 R C 1.063 177.363 176.300 -0.001 0.000 1.284 40 R CA -0.328 55.776 56.100 0.007 0.000 1.069 40 R CB 0.561 30.870 30.300 0.016 0.000 1.087 40 R HN 0.049 nan 8.270 nan 0.000 0.519 41 V N 1.433 121.344 119.914 -0.006 0.000 2.332 41 V HA -0.267 3.853 4.120 0.001 0.000 0.248 41 V C 1.983 178.071 176.094 -0.011 0.000 1.055 41 V CA 1.541 63.833 62.300 -0.013 0.000 1.038 41 V CB -0.315 31.499 31.823 -0.015 0.000 0.651 41 V HN 0.608 nan 8.190 nan 0.000 0.450 42 E N 0.530 120.727 120.200 -0.005 0.000 2.077 42 E HA -0.188 4.163 4.350 0.001 0.000 0.193 42 E C 2.244 178.844 176.600 -0.001 0.000 0.989 42 E CA 1.042 57.441 56.400 -0.003 0.000 0.800 42 E CB -0.348 29.353 29.700 0.001 0.000 0.746 42 E HN 0.557 nan 8.360 nan 0.000 0.452 43 K N 0.682 121.084 120.400 0.003 0.000 2.057 43 K HA -0.082 4.239 4.320 0.001 0.000 0.207 43 K C 2.456 179.057 176.600 0.002 0.000 1.049 43 K CA 0.706 56.996 56.287 0.006 0.000 0.931 43 K CB -0.389 32.118 32.500 0.012 0.000 0.714 43 K HN 0.160 nan 8.250 nan 0.000 0.440 44 L N 0.637 121.858 121.223 -0.004 0.000 2.046 44 L HA -0.173 4.168 4.340 0.001 0.000 0.208 44 L C 2.605 179.467 176.870 -0.014 0.000 1.077 44 L CA 1.247 56.081 54.840 -0.011 0.000 0.747 44 L CB -0.402 41.644 42.059 -0.022 0.000 0.896 44 L HN 0.141 nan 8.230 nan 0.000 0.432 45 R N 0.065 120.556 120.500 -0.015 0.000 2.096 45 R HA -0.130 4.210 4.340 0.001 0.000 0.235 45 R C 2.390 178.686 176.300 -0.006 0.000 1.127 45 R CA 1.337 57.428 56.100 -0.014 0.000 0.968 45 R CB -0.578 29.713 30.300 -0.014 0.000 0.861 45 R HN 0.376 nan 8.270 nan 0.000 0.440 46 A N 1.624 124.443 122.820 -0.003 0.000 1.873 46 A HA -0.153 4.168 4.320 0.001 0.000 0.215 46 A C 2.161 179.747 177.584 0.002 0.000 1.186 46 A CA 1.043 53.080 52.037 0.001 0.000 0.616 46 A CB -0.496 18.506 19.000 0.003 0.000 0.823 46 A HN 0.230 nan 8.150 nan 0.000 0.442 47 L N 0.251 121.476 121.223 0.003 0.000 2.046 47 L HA -0.029 4.312 4.340 0.001 0.000 0.208 47 L C 2.379 179.252 176.870 0.004 0.000 1.077 47 L CA 2.440 57.284 54.840 0.005 0.000 0.747 47 L CB -1.122 40.941 42.059 0.006 0.000 0.896 47 L HN 0.300 nan 8.230 nan 0.000 0.432 48 G N -1.039 107.761 108.800 0.000 0.000 2.440 48 G HA2 -0.293 3.667 3.960 0.001 0.000 0.218 48 G HA3 -0.293 3.667 3.960 0.001 0.000 0.218 48 G C 1.269 176.171 174.900 0.004 0.000 1.154 48 G CA 0.931 46.032 45.100 0.000 0.000 0.767 48 G HN 0.447 nan 8.290 nan 0.000 0.552 49 D N 0.168 120.569 120.400 0.002 0.000 2.117 49 D HA -0.073 4.567 4.640 0.001 0.000 0.197 49 D C 2.212 178.515 176.300 0.006 0.000 0.987 49 D CA 0.964 54.967 54.000 0.004 0.000 0.829 49 D CB -0.280 40.522 40.800 0.003 0.000 0.961 49 D HN 0.481 nan 8.370 nan 0.000 0.460 50 E N 0.099 120.303 120.200 0.006 0.000 2.051 50 E HA -0.122 4.229 4.350 0.001 0.000 0.192 50 E C 2.319 178.924 176.600 0.009 0.000 0.991 50 E CA 0.526 56.931 56.400 0.007 0.000 0.799 50 E CB -0.004 29.701 29.700 0.008 0.000 0.748 50 E HN 0.213 nan 8.360 nan 0.000 0.449 51 L N 0.082 121.311 121.223 0.010 0.000 2.056 51 L HA -0.153 4.188 4.340 0.001 0.000 0.207 51 L C 2.647 179.524 176.870 0.012 0.000 1.078 51 L CA 1.377 56.224 54.840 0.011 0.000 0.749 51 L CB -0.581 41.486 42.059 0.013 0.000 0.901 51 L HN 0.170 nan 8.230 nan 0.000 0.433 52 T N 0.127 114.688 114.554 0.012 0.000 2.746 52 T HA -0.180 4.171 4.350 0.001 0.000 0.267 52 T C 1.989 176.695 174.700 0.010 0.000 1.039 52 T CA 1.373 63.481 62.100 0.012 0.000 1.142 52 T CB -0.256 68.620 68.868 0.013 0.000 0.866 52 T HN 0.443 nan 8.240 nan 0.000 0.444 53 A N 1.142 123.967 122.820 0.009 0.000 2.019 53 A HA 0.242 4.562 4.320 0.001 0.000 0.219 53 A C 2.345 179.934 177.584 0.008 0.000 1.164 53 A CA 1.514 53.556 52.037 0.008 0.000 0.644 53 A CB -0.658 18.346 19.000 0.007 0.000 0.805 53 A HN 0.506 nan 8.150 nan 0.000 0.449 54 A N -2.069 120.756 122.820 0.009 0.000 2.251 54 A HA 0.441 4.762 4.320 0.001 0.000 0.209 54 A C 1.624 179.213 177.584 0.009 0.000 1.187 54 A CA 1.106 53.148 52.037 0.009 0.000 0.823 54 A CB -0.698 18.308 19.000 0.009 0.000 0.846 54 A HN 1.780 nan 8.150 nan 0.000 0.486 55 G N -2.176 106.630 108.800 0.010 0.000 2.179 55 G HA2 0.138 4.099 3.960 0.001 0.000 0.220 55 G HA3 0.138 4.099 3.960 0.001 0.000 0.220 55 G C 0.427 175.333 174.900 0.011 0.000 0.990 55 G CA 0.116 45.222 45.100 0.010 0.000 0.646 55 G HN 1.479 nan 8.290 nan 0.000 0.517 56 A N -0.045 122.783 122.820 0.012 0.000 2.332 56 A HA 0.693 5.013 4.320 0.001 0.000 0.258 56 A C 0.478 178.072 177.584 0.017 0.000 1.087 56 A CA 0.534 52.579 52.037 0.014 0.000 0.802 56 A CB 0.576 19.586 19.000 0.016 0.000 1.042 56 A HN 0.608 nan 8.150 nan 0.000 0.489 57 K N 1.435 121.847 120.400 0.018 0.000 2.253 57 K HA 0.537 4.857 4.320 0.001 0.000 0.277 57 K C -1.416 175.205 176.600 0.035 0.000 1.053 57 K CA -0.272 56.029 56.287 0.023 0.000 0.892 57 K CB 0.717 33.227 32.500 0.017 0.000 1.102 57 K HN 0.421 nan 8.250 nan 0.000 0.469 58 V N 3.630 123.572 119.914 0.046 0.000 2.680 58 V HA 0.275 4.395 4.120 0.001 0.000 0.309 58 V C -1.084 175.076 176.094 0.111 0.000 1.052 58 V CA -0.957 61.378 62.300 0.058 0.000 0.908 58 V CB 1.461 33.304 31.823 0.032 0.000 1.001 58 V HN 0.786 nan 8.190 nan 0.000 0.431 59 H N 2.501 121.569 119.070 -0.004 0.000 2.800 59 H HA 0.633 5.190 4.556 0.001 0.000 0.322 59 H C -1.043 174.283 175.328 -0.004 0.000 0.979 59 H CA -0.391 55.654 56.048 -0.006 0.000 1.277 59 H CB 1.624 31.380 29.762 -0.011 0.000 1.484 59 H HN 0.422 nan 8.280 nan 0.000 0.512 60 V N 7.304 127.010 119.914 -0.347 0.000 2.461 60 V HA 0.220 4.340 4.120 0.001 0.000 0.275 60 V C -0.075 175.792 176.094 -0.379 0.000 1.047 60 V CA -0.381 61.759 62.300 -0.268 0.000 0.955 60 V CB 0.772 32.505 31.823 -0.149 0.000 0.988 60 V HN 0.635 nan 8.190 nan 0.000 0.471 61 L N 4.607 125.704 121.223 -0.211 0.000 2.372 61 L HA 0.488 4.828 4.340 0.001 0.000 0.274 61 L C 0.101 176.927 176.870 -0.073 0.000 0.988 61 L CA -0.280 54.473 54.840 -0.144 0.000 0.833 61 L CB 1.862 43.876 42.059 -0.074 0.000 1.236 61 L HN 0.629 nan 8.230 nan 0.000 0.410 62 E N 4.121 124.286 120.200 -0.059 0.000 2.217 62 E HA 0.403 4.754 4.350 0.001 0.000 0.279 62 E C -1.392 175.197 176.600 -0.018 0.000 1.068 62 E CA -0.445 55.936 56.400 -0.032 0.000 0.882 62 E CB 0.936 30.619 29.700 -0.027 0.000 1.039 62 E HN 0.388 nan 8.360 nan 0.000 0.418 63 L N 4.738 125.955 121.223 -0.010 0.000 2.482 63 L HA 0.378 4.719 4.340 0.001 0.000 0.263 63 L C -1.780 175.094 176.870 0.005 0.000 0.957 63 L CA -0.624 54.217 54.840 0.000 0.000 0.836 63 L CB 2.195 44.258 42.059 0.005 0.000 1.324 63 L HN 0.442 nan 8.230 nan 0.000 0.406 64 D N 2.808 123.214 120.400 0.010 0.000 2.392 64 D HA 0.271 4.911 4.640 0.001 0.000 0.228 64 D C 1.060 177.380 176.300 0.034 0.000 1.074 64 D CA -0.139 53.871 54.000 0.017 0.000 0.838 64 D CB 1.636 42.445 40.800 0.015 0.000 1.067 64 D HN 0.442 nan 8.370 nan 0.000 0.511 65 V N 2.637 122.575 119.914 0.040 0.000 2.867 65 V HA -0.066 4.054 4.120 0.001 0.000 0.260 65 V C 1.826 177.995 176.094 0.126 0.000 1.099 65 V CA 1.646 63.987 62.300 0.068 0.000 1.122 65 V CB -1.016 30.837 31.823 0.048 0.000 0.708 65 V HN 0.500 nan 8.190 nan 0.000 0.490 66 A N 0.519 123.400 122.820 0.102 0.000 2.167 66 A HA -0.004 4.317 4.320 0.001 0.000 0.214 66 A C 1.219 178.919 177.584 0.194 0.000 1.151 66 A CA 0.977 53.103 52.037 0.148 0.000 0.735 66 A CB -0.540 18.507 19.000 0.078 0.000 0.802 66 A HN 0.651 nan 8.150 nan 0.000 0.467 67 D N -0.354 120.106 120.400 0.100 0.000 2.428 67 D HA 0.183 4.824 4.640 0.001 0.000 0.221 67 D C 1.163 177.407 176.300 -0.094 0.000 1.123 67 D CA -0.488 53.522 54.000 0.016 0.000 0.869 67 D CB 0.432 41.233 40.800 0.003 0.000 1.032 67 D HN 0.237 nan 8.370 nan 0.000 0.506 68 R N 2.913 123.226 120.500 -0.310 0.000 2.096 68 R HA -0.230 4.110 4.340 0.001 0.000 0.240 68 R C 1.500 177.615 176.300 -0.308 0.000 1.139 68 R CA 1.783 57.486 56.100 -0.662 0.000 0.952 68 R CB 0.138 29.855 30.300 -0.972 0.000 0.854 68 R HN 0.581 nan 8.270 nan 0.000 0.436 69 Q N -1.092 118.595 119.800 -0.188 0.000 2.079 69 Q HA -0.081 4.259 4.340 0.001 0.000 0.200 69 Q C 2.117 178.076 176.000 -0.067 0.000 0.974 69 Q CA 1.415 57.154 55.803 -0.106 0.000 0.840 69 Q CB -0.210 28.485 28.738 -0.071 0.000 0.898 69 Q HN 0.569 nan 8.270 nan 0.000 0.430 70 G N 0.225 108.991 108.800 -0.056 0.000 2.440 70 G HA2 -0.237 3.723 3.960 0.001 0.000 0.218 70 G HA3 -0.237 3.723 3.960 0.001 0.000 0.218 70 G C 1.499 176.390 174.900 -0.016 0.000 1.154 70 G CA 0.891 45.975 45.100 -0.026 0.000 0.767 70 G HN 0.209 nan 8.290 nan 0.000 0.552 71 V N 1.227 121.125 119.914 -0.027 0.000 2.295 71 V HA -0.169 3.952 4.120 0.001 0.000 0.246 71 V C 2.629 178.725 176.094 0.004 0.000 1.049 71 V CA 2.229 64.529 62.300 0.000 0.000 1.024 71 V CB -0.424 31.407 31.823 0.015 0.000 0.648 71 V HN 0.270 nan 8.190 nan 0.000 0.447 72 D N 0.383 120.771 120.400 -0.020 0.000 2.116 72 D HA -0.172 4.469 4.640 0.001 0.000 0.193 72 D C 2.206 178.515 176.300 0.015 0.000 0.998 72 D CA 1.824 55.825 54.000 0.002 0.000 0.836 72 D CB -0.377 40.413 40.800 -0.018 0.000 0.951 72 D HN 0.449 nan 8.370 nan 0.000 0.449 73 A N 0.828 123.651 122.820 0.005 0.000 1.933 73 A HA -0.019 4.302 4.320 0.001 0.000 0.218 73 A C 2.304 179.903 177.584 0.025 0.000 1.175 73 A CA 2.173 54.218 52.037 0.014 0.000 0.628 73 A CB -0.654 18.350 19.000 0.007 0.000 0.814 73 A HN 0.240 nan 8.150 nan 0.000 0.444 74 A N -0.514 122.321 122.820 0.024 0.000 1.902 74 A HA -0.004 4.317 4.320 0.001 0.000 0.217 74 A C 2.230 179.832 177.584 0.031 0.000 1.181 74 A CA 1.804 53.863 52.037 0.037 0.000 0.623 74 A CB -0.925 18.093 19.000 0.030 0.000 0.818 74 A HN 0.379 nan 8.150 nan 0.000 0.443 75 V N -0.116 119.805 119.914 0.013 0.000 2.295 75 V HA -0.242 3.879 4.120 0.001 0.000 0.246 75 V C 3.070 179.113 176.094 -0.085 0.000 1.049 75 V CA 1.922 64.203 62.300 -0.032 0.000 1.024 75 V CB -1.291 30.541 31.823 0.015 0.000 0.648 75 V HN 0.620 nan 8.190 nan 0.000 0.447 76 A N -0.636 122.174 122.820 -0.017 0.000 1.883 76 A HA -0.270 4.050 4.320 0.001 0.000 0.217 76 A C 2.570 180.131 177.584 -0.038 0.000 1.186 76 A CA 2.422 54.452 52.037 -0.012 0.000 0.624 76 A CB -0.919 18.097 19.000 0.026 0.000 0.822 76 A HN 0.479 nan 8.150 nan 0.000 0.444 77 S N -1.123 114.577 115.700 0.000 0.000 2.368 77 S HA -0.156 4.315 4.470 0.001 0.000 0.225 77 S C 2.095 176.623 174.600 -0.119 0.000 1.030 77 S CA 2.238 60.453 58.200 0.025 0.000 0.999 77 S CB -0.651 62.658 63.200 0.182 0.000 0.844 77 S HN 0.647 nan 8.310 nan 0.000 0.459 78 T N 1.636 116.148 114.554 -0.070 0.000 2.684 78 T HA -0.088 4.263 4.350 0.001 0.000 0.267 78 T C 1.829 176.398 174.700 -0.219 0.000 1.036 78 T CA 1.691 63.706 62.100 -0.142 0.000 1.148 78 T CB -0.549 68.294 68.868 -0.041 0.000 0.863 78 T HN 0.284 nan 8.240 nan 0.000 0.436 79 V N 1.491 121.279 119.914 -0.211 0.000 2.427 79 V HA -0.104 4.017 4.120 0.001 0.000 0.248 79 V C 2.681 178.693 176.094 -0.137 0.000 1.051 79 V CA 1.424 63.606 62.300 -0.198 0.000 1.048 79 V CB -0.529 31.116 31.823 -0.296 0.000 0.666 79 V HN 0.443 nan 8.190 nan 0.000 0.456 80 E N 0.788 120.909 120.200 -0.133 0.000 2.051 80 E HA -0.219 4.131 4.350 0.001 0.000 0.192 80 E C 2.215 178.726 176.600 -0.150 0.000 0.991 80 E CA 1.812 58.148 56.400 -0.108 0.000 0.799 80 E CB -0.103 29.549 29.700 -0.080 0.000 0.748 80 E HN 0.527 nan 8.360 nan 0.000 0.449 81 A N 0.351 123.004 122.820 -0.277 0.000 1.930 81 A HA 0.024 4.345 4.320 0.001 0.000 0.215 81 A C 2.208 179.670 177.584 -0.204 0.000 1.176 81 A CA 0.763 52.610 52.037 -0.317 0.000 0.632 81 A CB -0.121 18.425 19.000 -0.757 0.000 0.819 81 A HN 0.278 nan 8.150 nan 0.000 0.445 82 L N -2.282 118.825 121.223 -0.193 0.000 2.731 82 L HA 0.314 4.654 4.340 0.001 0.000 0.240 82 L C 1.563 178.388 176.870 -0.074 0.000 1.120 82 L CA 0.529 55.304 54.840 -0.108 0.000 0.913 82 L CB 0.360 42.365 42.059 -0.090 0.000 1.213 82 L HN 0.538 nan 8.230 nan 0.000 0.515 83 G N 0.175 108.927 108.800 -0.080 0.000 2.175 83 G HA2 -0.129 3.831 3.960 0.001 0.000 0.244 83 G HA3 -0.129 3.831 3.960 0.001 0.000 0.244 83 G C 0.409 175.290 174.900 -0.031 0.000 0.982 83 G CA -0.078 44.994 45.100 -0.047 0.000 0.641 83 G HN 0.707 nan 8.290 nan 0.000 0.527 84 G N -1.607 107.164 108.800 -0.049 0.000 2.321 84 G HA2 0.615 4.575 3.960 0.001 0.000 0.296 84 G HA3 0.615 4.575 3.960 0.001 0.000 0.296 84 G C -2.202 172.665 174.900 -0.055 0.000 1.287 84 G CA 0.070 45.155 45.100 -0.026 0.000 0.846 84 G HN 1.464 nan 8.290 nan 0.000 0.508 85 L N 0.334 121.548 121.223 -0.016 0.000 2.528 85 L HA 0.640 4.980 4.340 0.001 0.000 0.267 85 L C -0.452 176.434 176.870 0.027 0.000 0.961 85 L CA -0.500 54.332 54.840 -0.013 0.000 0.866 85 L CB 1.907 43.940 42.059 -0.044 0.000 1.248 85 L HN 0.638 nan 8.230 nan 0.000 0.404 86 D N 4.414 124.826 120.400 0.019 0.000 2.470 86 D HA 0.332 4.973 4.640 0.001 0.000 0.238 86 D C -0.014 176.303 176.300 0.029 0.000 1.054 86 D CA 0.886 54.901 54.000 0.025 0.000 0.896 86 D CB 1.398 42.207 40.800 0.015 0.000 1.118 86 D HN 0.329 nan 8.370 nan 0.000 0.497 87 I N 1.640 122.225 120.570 0.024 0.000 2.534 87 I HA 0.215 4.385 4.170 0.001 0.000 0.288 87 I C -1.361 174.772 176.117 0.027 0.000 1.077 87 I CA -0.917 60.398 61.300 0.025 0.000 1.051 87 I CB 2.967 40.978 38.000 0.018 0.000 1.234 87 I HN -0.205 nan 8.210 nan 0.000 0.425 88 L N 8.142 129.386 121.223 0.034 0.000 2.322 88 L HA 0.655 4.996 4.340 0.001 0.000 0.281 88 L C -1.034 175.857 176.870 0.034 0.000 1.014 88 L CA -0.380 54.483 54.840 0.037 0.000 0.815 88 L CB 1.765 43.855 42.059 0.051 0.000 1.247 88 L HN 0.337 nan 8.230 nan 0.000 0.421 89 V N 5.157 125.089 119.914 0.031 0.000 2.313 89 V HA 0.411 4.532 4.120 0.001 0.000 0.278 89 V C -0.119 175.992 176.094 0.029 0.000 1.017 89 V CA -0.663 61.654 62.300 0.028 0.000 0.823 89 V CB 0.925 32.762 31.823 0.024 0.000 1.010 89 V HN 0.710 nan 8.190 nan 0.000 0.443 90 N N 4.654 123.372 118.700 0.031 0.000 2.807 90 N HA 0.104 4.844 4.740 0.001 0.000 0.259 90 N C 0.886 176.407 175.510 0.018 0.000 1.149 90 N CA 0.125 53.192 53.050 0.028 0.000 1.042 90 N CB 0.463 38.970 38.487 0.034 0.000 1.367 90 N HN 0.717 nan 8.380 nan 0.000 0.516 91 N N 0.954 119.666 118.700 0.020 0.000 2.348 91 N HA 0.005 4.745 4.740 0.001 0.000 0.183 91 N C 0.063 175.585 175.510 0.021 0.000 1.094 91 N CA -0.152 52.910 53.050 0.021 0.000 0.885 91 N CB 0.471 38.973 38.487 0.025 0.000 1.065 91 N HN 0.283 nan 8.380 nan 0.000 0.472 92 A N 0.694 123.523 122.820 0.016 0.000 2.580 92 A HA 0.447 4.768 4.320 0.001 0.000 0.244 92 A C 0.553 178.143 177.584 0.010 0.000 1.045 92 A CA 0.875 52.918 52.037 0.010 0.000 0.761 92 A CB -0.465 18.539 19.000 0.007 0.000 0.962 92 A HN 0.449 nan 8.150 nan 0.000 0.512 93 G N 0.874 109.681 108.800 0.012 0.000 2.579 93 G HA2 0.601 4.562 3.960 0.001 0.000 0.292 93 G HA3 0.601 4.562 3.960 0.001 0.000 0.292 93 G C -0.805 174.108 174.900 0.023 0.000 1.484 93 G CA -0.094 45.026 45.100 0.033 0.000 0.813 93 G HN 1.575 nan 8.290 nan 0.000 0.515 97 L N 2.252 123.419 121.223 -0.093 0.000 2.379 97 L HA 0.998 5.339 4.340 0.001 0.000 0.269 97 L C 0.766 177.630 176.870 -0.010 0.000 1.084 97 L CA -0.389 54.403 54.840 -0.079 0.000 0.802 97 L CB 1.643 43.597 42.059 -0.175 0.000 1.175 97 L HN 0.722 nan 8.230 nan 0.000 0.448 98 G N 1.576 110.347 108.800 -0.049 0.000 2.347 98 G HA2 0.260 4.221 3.960 0.001 0.000 0.303 98 G HA3 0.260 4.221 3.960 0.001 0.000 0.303 98 G C -3.274 171.533 174.900 -0.155 0.000 1.481 98 G CA -0.886 44.082 45.100 -0.220 0.000 0.914 98 G HN 0.281 nan 8.290 nan 0.000 0.638 99 P HA 0.311 nan 4.420 nan 0.000 0.270 99 P C 1.228 178.559 177.300 0.051 0.000 1.223 99 P CA -0.434 62.613 63.100 -0.088 0.000 0.785 99 P CB 0.992 32.627 31.700 -0.108 0.000 0.923 100 V N -0.152 119.823 119.914 0.102 0.000 2.427 100 V HA -0.153 3.968 4.120 0.001 0.000 0.248 100 V C 1.216 177.442 176.094 0.220 0.000 1.051 100 V CA 1.409 63.854 62.300 0.243 0.000 1.048 100 V CB -1.036 30.872 31.823 0.142 0.000 0.666 100 V HN 0.634 nan 8.190 nan 0.000 0.456 101 E N 0.689 120.952 120.200 0.105 0.000 2.480 101 E HA -0.109 4.242 4.350 0.001 0.000 0.258 101 E C 0.440 177.072 176.600 0.052 0.000 0.984 101 E CA 0.379 56.823 56.400 0.072 0.000 0.930 101 E CB -0.069 29.658 29.700 0.045 0.000 0.936 101 E HN 0.451 nan 8.360 nan 0.000 0.466 102 D N 1.665 122.083 120.400 0.030 0.000 2.911 102 D HA -0.232 4.408 4.640 0.001 0.000 0.227 102 D C -0.714 175.562 176.300 -0.040 0.000 1.164 102 D CA 0.878 54.875 54.000 -0.005 0.000 0.782 102 D CB -0.759 40.053 40.800 0.020 0.000 1.094 102 D HN 0.564 nan 8.370 nan 0.000 0.425 103 A N 0.406 123.180 122.820 -0.076 0.000 2.466 103 A HA 0.255 4.575 4.320 0.001 0.000 0.238 103 A C 0.475 177.865 177.584 -0.323 0.000 1.074 103 A CA 0.218 52.166 52.037 -0.149 0.000 0.774 103 A CB 0.447 19.393 19.000 -0.089 0.000 1.015 103 A HN 0.266 nan 8.150 nan 0.000 0.498 104 D N 1.698 121.953 120.400 -0.242 0.000 2.342 104 D HA 0.086 4.727 4.640 0.001 0.000 0.260 104 D C 1.594 177.600 176.300 -0.489 0.000 1.278 104 D CA 0.717 54.560 54.000 -0.261 0.000 0.910 104 D CB 0.575 41.307 40.800 -0.113 0.000 1.079 104 D HN 0.560 nan 8.370 nan 0.000 0.496 105 T N -0.306 113.889 114.554 -0.598 0.000 3.072 105 T HA -0.167 4.184 4.350 0.001 0.000 0.266 105 T C 1.749 176.275 174.700 -0.291 0.000 1.127 105 T CA 1.312 62.948 62.100 -0.774 0.000 1.107 105 T CB -0.383 68.133 68.868 -0.587 0.000 0.910 105 T HN 0.420 nan 8.240 nan 0.000 0.513 106 T N -0.424 114.024 114.554 -0.176 0.000 2.995 106 T HA -0.090 4.260 4.350 0.001 0.000 0.269 106 T C 1.443 176.146 174.700 0.006 0.000 1.091 106 T CA 1.022 63.091 62.100 -0.052 0.000 1.128 106 T CB -0.546 68.299 68.868 -0.040 0.000 0.891 106 T HN 0.211 nan 8.240 nan 0.000 0.492 107 D N 0.652 121.046 120.400 -0.011 0.000 2.133 107 D HA -0.073 4.567 4.640 0.001 0.000 0.195 107 D C 1.550 178.014 176.300 0.272 0.000 0.997 107 D CA 1.089 55.157 54.000 0.114 0.000 0.840 107 D CB -0.325 40.567 40.800 0.153 0.000 0.947 107 D HN 0.530 nan 8.370 nan 0.000 0.452 108 W N 0.924 122.228 121.300 0.008 0.000 2.407 108 W HA -0.045 4.615 4.660 0.001 0.000 0.305 108 W C 2.679 179.197 176.519 -0.001 0.000 1.196 108 W CA 1.684 59.032 57.345 0.006 0.000 1.311 108 W CB -1.671 27.790 29.460 0.001 0.000 1.135 108 W HN 0.083 nan 8.180 nan 0.000 0.514 109 T N -0.797 113.899 114.554 0.238 0.000 2.788 109 T HA -0.069 4.282 4.350 0.001 0.000 0.268 109 T C 1.303 176.053 174.700 0.083 0.000 1.044 109 T CA 0.572 62.748 62.100 0.127 0.000 1.139 109 T CB -0.295 68.623 68.868 0.083 0.000 0.867 109 T HN -0.067 nan 8.240 nan 0.000 0.454 113 D N 1.216 121.604 120.400 -0.021 0.000 2.123 113 D HA -0.117 4.524 4.640 0.001 0.000 0.196 113 D C 1.867 178.142 176.300 -0.041 0.000 0.992 113 D CA 2.237 56.220 54.000 -0.029 0.000 0.833 113 D CB 0.010 40.818 40.800 0.012 0.000 0.954 113 D HN 0.329 nan 8.370 nan 0.000 0.455 114 T N 0.354 114.893 114.554 -0.025 0.000 2.904 114 T HA -0.008 4.342 4.350 0.001 0.000 0.243 114 T C 1.577 176.250 174.700 -0.044 0.000 1.024 114 T CA 0.464 62.551 62.100 -0.022 0.000 1.158 114 T CB -0.106 68.757 68.868 -0.009 0.000 0.867 114 T HN -0.002 nan 8.240 nan 0.000 0.429 115 N N 0.970 119.646 118.700 -0.040 0.000 2.270 115 N HA 0.074 4.814 4.740 0.001 0.000 0.181 115 N C 1.430 176.872 175.510 -0.114 0.000 1.016 115 N CA 0.615 53.632 53.050 -0.056 0.000 0.870 115 N CB -0.161 38.301 38.487 -0.041 0.000 0.979 115 N HN 0.184 nan 8.380 nan 0.000 0.431 116 L N -0.775 120.361 121.223 -0.146 0.000 2.783 116 L HA 0.265 4.606 4.340 0.001 0.000 0.174 116 L C 1.699 178.373 176.870 -0.327 0.000 1.235 116 L CA 0.405 55.111 54.840 -0.222 0.000 0.862 116 L CB -1.011 40.936 42.059 -0.187 0.000 1.249 116 L HN -0.087 nan 8.230 nan 0.000 0.518 117 L N 0.324 121.351 121.223 -0.326 0.000 2.012 117 L HA -0.036 4.305 4.340 0.001 0.000 0.210 117 L C 2.242 178.766 176.870 -0.576 0.000 1.073 117 L CA 2.279 56.801 54.840 -0.529 0.000 0.748 117 L CB -1.383 40.395 42.059 -0.468 0.000 0.891 117 L HN 0.416 nan 8.230 nan 0.000 0.431 118 G N -0.692 107.949 108.800 -0.264 0.000 2.440 118 G HA2 -0.217 3.743 3.960 0.001 0.000 0.218 118 G HA3 -0.217 3.743 3.960 0.001 0.000 0.218 118 G C 1.071 175.933 174.900 -0.063 0.000 1.154 118 G CA 0.753 45.814 45.100 -0.066 0.000 0.767 118 G HN 0.366 nan 8.290 nan 0.000 0.552 124 R N 1.734 122.356 120.500 0.203 0.000 2.081 124 R HA 0.079 4.420 4.340 0.001 0.000 0.235 124 R C 2.391 178.769 176.300 0.130 0.000 1.131 124 R CA 1.932 58.134 56.100 0.169 0.000 0.960 124 R CB -0.425 29.991 30.300 0.192 0.000 0.856 124 R HN 0.366 nan 8.270 nan 0.000 0.436 125 A N 0.626 123.526 122.820 0.134 0.000 1.898 125 A HA -0.040 4.281 4.320 0.001 0.000 0.216 125 A C 2.316 179.999 177.584 0.165 0.000 1.181 125 A CA 1.544 53.653 52.037 0.121 0.000 0.620 125 A CB -0.647 18.412 19.000 0.099 0.000 0.819 125 A HN 0.543 nan 8.150 nan 0.000 0.442 126 A N -0.822 122.093 122.820 0.158 0.000 2.014 126 A HA 0.097 4.417 4.320 0.001 0.000 0.218 126 A C 2.013 179.704 177.584 0.178 0.000 1.163 126 A CA 1.395 53.542 52.037 0.184 0.000 0.652 126 A CB -0.493 18.579 19.000 0.120 0.000 0.808 126 A HN 0.531 nan 8.150 nan 0.000 0.449 127 L N 0.824 122.119 121.223 0.118 0.000 2.013 127 L HA -0.094 4.247 4.340 0.001 0.000 0.212 127 L C -0.628 176.262 176.870 0.033 0.000 1.073 127 L CA 2.609 57.494 54.840 0.074 0.000 0.753 127 L CB -1.089 41.006 42.059 0.061 0.000 0.890 127 L HN 0.219 nan 8.230 nan 0.000 0.432 128 P HA -0.183 nan 4.420 nan 0.000 0.217 128 P C 1.283 178.494 177.300 -0.148 0.000 1.150 128 P CA 1.693 64.722 63.100 -0.118 0.000 0.832 128 P CB -0.385 31.184 31.700 -0.218 0.000 0.787 129 H N -0.412 118.668 119.070 0.016 0.000 2.389 129 H HA 0.054 4.611 4.556 0.001 0.000 0.299 129 H C 2.226 177.562 175.328 0.013 0.000 1.081 129 H CA 0.944 56.999 56.048 0.012 0.000 1.345 129 H CB -0.653 29.116 29.762 0.012 0.000 1.393 129 H HN 0.152 nan 8.280 nan 0.000 0.520 130 L N 0.404 121.707 121.223 0.134 0.000 2.093 130 L HA -0.144 4.197 4.340 0.001 0.000 0.208 130 L C 2.643 179.545 176.870 0.054 0.000 1.085 130 L CA 0.545 55.435 54.840 0.084 0.000 0.755 130 L CB -0.432 41.673 42.059 0.077 0.000 0.904 130 L HN 0.135 nan 8.230 nan 0.000 0.435 131 L N -0.473 120.771 121.223 0.035 0.000 2.012 131 L HA -0.233 4.107 4.340 0.001 0.000 0.210 131 L C 2.890 179.765 176.870 0.009 0.000 1.073 131 L CA 1.431 56.281 54.840 0.016 0.000 0.748 131 L CB -0.478 41.580 42.059 -0.002 0.000 0.891 131 L HN 0.201 nan 8.230 nan 0.000 0.431 132 R N -0.338 120.165 120.500 0.004 0.000 2.096 132 R HA -0.133 4.207 4.340 0.001 0.000 0.235 132 R C 2.259 178.562 176.300 0.005 0.000 1.127 132 R CA 1.730 57.831 56.100 0.002 0.000 0.968 132 R CB -0.337 29.965 30.300 0.004 0.000 0.861 132 R HN 0.467 nan 8.270 nan 0.000 0.440 133 S N -0.027 115.684 115.700 0.019 0.000 2.556 133 S HA 0.116 4.586 4.470 0.001 0.000 0.216 133 S C 0.210 174.801 174.600 -0.015 0.000 0.970 133 S CA -0.371 57.833 58.200 0.006 0.000 0.912 133 S CB 0.188 63.404 63.200 0.025 0.000 0.790 133 S HN 0.140 nan 8.310 nan 0.000 0.504 134 K N 1.504 121.903 120.400 -0.003 0.000 3.490 134 K HA -0.136 4.185 4.320 0.001 0.000 0.273 134 K C 0.684 177.332 176.600 0.080 0.000 0.916 134 K CA 0.231 56.532 56.287 0.024 0.000 0.718 134 K CB -2.031 30.400 32.500 -0.115 0.000 1.477 134 K HN 0.644 nan 8.250 nan 0.000 0.452 135 G N 0.052 108.896 108.800 0.074 0.000 2.510 135 G HA2 0.471 4.432 3.960 0.001 0.000 0.280 135 G HA3 0.471 4.432 3.960 0.001 0.000 0.280 135 G C -0.427 174.519 174.900 0.076 0.000 1.386 135 G CA -0.320 44.822 45.100 0.070 0.000 1.047 135 G HN 0.146 nan 8.290 nan 0.000 0.527 136 T N -0.727 113.858 114.554 0.052 0.000 2.881 136 T HA 0.431 4.782 4.350 0.001 0.000 0.290 136 T C -1.021 173.699 174.700 0.034 0.000 1.000 136 T CA -0.293 61.828 62.100 0.035 0.000 0.978 136 T CB 1.806 70.684 68.868 0.016 0.000 0.997 136 T HN 0.506 nan 8.240 nan 0.000 0.443 137 V N 4.644 124.579 119.914 0.035 0.000 2.398 137 V HA 0.666 4.787 4.120 0.001 0.000 0.286 137 V C -0.770 175.343 176.094 0.031 0.000 1.026 137 V CA -0.381 61.944 62.300 0.042 0.000 0.868 137 V CB 1.157 33.016 31.823 0.059 0.000 0.982 137 V HN 0.716 nan 8.190 nan 0.000 0.443 138 V N 8.060 127.990 119.914 0.026 0.000 2.328 138 V HA 0.503 4.624 4.120 0.001 0.000 0.278 138 V C 0.091 176.194 176.094 0.016 0.000 1.021 138 V CA -0.596 61.710 62.300 0.011 0.000 0.838 138 V CB 1.232 33.059 31.823 0.007 0.000 0.999 138 V HN 0.916 nan 8.190 nan 0.000 0.447 142 S N -0.572 115.031 115.700 -0.162 0.000 2.611 142 S HA 0.454 4.924 4.470 0.001 0.000 0.270 142 S C 0.345 174.846 174.600 -0.165 0.000 1.131 142 S CA 0.026 58.171 58.200 -0.091 0.000 0.826 142 S CB 0.732 63.883 63.200 -0.080 0.000 1.095 142 S HN 0.961 nan 8.310 nan 0.000 0.461 143 I N 2.725 123.287 120.570 -0.013 0.000 2.315 143 I HA -0.124 4.047 4.170 0.001 0.000 0.251 143 I C 2.057 178.121 176.117 -0.090 0.000 1.125 143 I CA 2.246 63.551 61.300 0.009 0.000 1.392 143 I CB -0.309 37.856 38.000 0.275 0.000 1.065 143 I HN 0.756 nan 8.210 nan 0.000 0.424 144 A N 0.065 122.858 122.820 -0.044 0.000 2.216 144 A HA 0.010 4.330 4.320 0.001 0.000 0.214 144 A C 2.073 179.512 177.584 -0.242 0.000 1.160 144 A CA 1.163 53.173 52.037 -0.045 0.000 0.725 144 A CB -1.031 17.960 19.000 -0.015 0.000 0.784 144 A HN 0.554 nan 8.150 nan 0.000 0.472 145 G N -1.879 106.616 108.800 -0.508 0.000 3.042 145 G HA2 0.150 4.110 3.960 0.001 0.000 0.212 145 G HA3 0.150 4.110 3.960 0.001 0.000 0.212 145 G C 1.376 175.342 174.900 -1.556 0.000 1.166 145 G CA -0.039 44.491 45.100 -0.950 0.000 0.767 145 G HN 0.325 nan 8.290 nan 0.000 0.546 146 R N -0.979 118.925 120.500 -0.994 0.000 2.470 146 R HA 0.273 4.613 4.340 0.001 0.000 0.210 146 R C -0.352 175.882 176.300 -0.109 0.000 0.873 146 R CA 0.270 55.966 56.100 -0.674 0.000 1.015 146 R CB 0.923 30.758 30.300 -0.776 0.000 1.348 146 R HN 0.169 nan 8.270 nan 0.000 0.650 147 V N 2.688 122.627 119.914 0.042 0.000 2.638 147 V HA 0.374 4.495 4.120 0.001 0.000 0.306 147 V C -0.820 175.433 176.094 0.265 0.000 1.052 147 V CA -1.138 61.286 62.300 0.205 0.000 0.885 147 V CB 2.540 34.467 31.823 0.172 0.000 0.999 147 V HN 0.087 nan 8.190 nan 0.000 0.424 148 N N 3.116 121.947 118.700 0.218 0.000 2.425 148 N HA 0.595 5.335 4.740 0.001 0.000 0.268 148 N C -0.428 175.141 175.510 0.098 0.000 0.991 148 N CA -0.123 53.009 53.050 0.136 0.000 0.931 148 N CB 2.362 40.863 38.487 0.022 0.000 1.130 148 N HN 0.664 nan 8.380 nan 0.000 0.493 149 V N 0.144 120.119 119.914 0.103 0.000 3.046 149 V HA 0.590 4.710 4.120 0.001 0.000 0.316 149 V C 0.534 176.667 176.094 0.066 0.000 1.104 149 V CA -1.212 61.140 62.300 0.087 0.000 1.006 149 V CB 1.909 33.799 31.823 0.110 0.000 1.058 149 V HN 0.453 nan 8.190 nan 0.000 0.440 150 R N 1.844 122.377 120.500 0.054 0.000 2.679 150 R HA 0.196 4.537 4.340 0.001 0.000 0.268 150 R C 0.372 176.696 176.300 0.039 0.000 1.044 150 R CA 0.763 56.885 56.100 0.037 0.000 1.105 150 R CB -0.079 30.240 30.300 0.032 0.000 0.989 150 R HN 1.004 nan 8.270 nan 0.000 0.447 151 N N -0.569 118.141 118.700 0.016 0.000 2.782 151 N HA -0.213 4.528 4.740 0.001 0.000 0.251 151 N C -0.611 174.904 175.510 0.008 0.000 1.101 151 N CA 1.389 54.438 53.050 -0.002 0.000 0.764 151 N CB -0.955 37.526 38.487 -0.011 0.000 1.122 151 N HN 0.717 nan 8.380 nan 0.000 0.561 152 A N -1.448 121.393 122.820 0.035 0.000 2.585 152 A HA 0.744 5.064 4.320 0.001 0.000 0.281 152 A C 1.538 179.164 177.584 0.071 0.000 0.945 152 A CA 0.706 52.789 52.037 0.076 0.000 1.031 152 A CB 0.207 19.288 19.000 0.135 0.000 1.221 152 A HN 0.351 nan 8.150 nan 0.000 0.496 153 A N -0.216 122.603 122.820 -0.003 0.000 1.865 153 A HA -0.049 4.272 4.320 0.001 0.000 0.217 153 A C 1.937 179.444 177.584 -0.128 0.000 1.191 153 A CA 2.350 54.341 52.037 -0.077 0.000 0.623 153 A CB -0.652 18.275 19.000 -0.122 0.000 0.826 153 A HN 0.649 nan 8.150 nan 0.000 0.444 154 V N -1.722 118.085 119.914 -0.178 0.000 2.488 154 V HA -0.190 3.930 4.120 0.001 0.000 0.246 154 V C 2.308 178.371 176.094 -0.051 0.000 1.046 154 V CA 1.731 63.879 62.300 -0.254 0.000 1.053 154 V CB -1.047 30.465 31.823 -0.518 0.000 0.679 154 V HN 0.658 nan 8.190 nan 0.000 0.458 155 Y N 1.461 121.709 120.300 -0.085 0.000 2.081 155 Y HA -0.331 4.220 4.550 0.001 0.000 0.280 155 Y C 2.639 178.533 175.900 -0.011 0.000 1.163 155 Y CA 2.166 60.241 58.100 -0.041 0.000 1.135 155 Y CB -0.438 38.002 38.460 -0.033 0.000 0.970 155 Y HN 0.286 nan 8.280 nan 0.000 0.498 156 Q N -0.374 119.436 119.800 0.018 0.000 2.084 156 Q HA -0.181 4.160 4.340 0.001 0.000 0.202 156 Q C 2.534 178.573 176.000 0.066 0.000 0.978 156 Q CA 1.672 57.499 55.803 0.040 0.000 0.844 156 Q CB -0.482 28.336 28.738 0.134 0.000 0.898 156 Q HN 0.602 nan 8.270 nan 0.000 0.426 157 A N 0.763 123.554 122.820 -0.048 0.000 1.892 157 A HA -0.291 4.029 4.320 0.001 0.000 0.218 157 A C 2.335 179.887 177.584 -0.053 0.000 1.188 157 A CA 2.347 54.337 52.037 -0.078 0.000 0.631 157 A CB -1.428 17.479 19.000 -0.156 0.000 0.822 157 A HN 0.594 nan 8.150 nan 0.000 0.447 158 T N -2.830 111.662 114.554 -0.103 0.000 2.788 158 T HA -0.112 4.238 4.350 0.001 0.000 0.268 158 T C 1.819 176.435 174.700 -0.141 0.000 1.044 158 T CA 1.505 63.531 62.100 -0.122 0.000 1.139 158 T CB -0.170 68.624 68.868 -0.124 0.000 0.867 158 T HN 0.328 nan 8.240 nan 0.000 0.454 159 K N 0.407 120.685 120.400 -0.203 0.000 2.076 159 K HA 0.204 4.524 4.320 0.001 0.000 0.204 159 K C 1.948 178.443 176.600 -0.175 0.000 1.051 159 K CA 0.634 56.771 56.287 -0.251 0.000 0.949 159 K CB -0.780 31.463 32.500 -0.427 0.000 0.726 159 K HN 0.427 nan 8.250 nan 0.000 0.443 160 F N 1.305 121.151 119.950 -0.173 0.000 2.161 160 F HA -0.148 4.380 4.527 0.001 0.000 0.300 160 F C 2.431 178.179 175.800 -0.086 0.000 1.089 160 F CA 1.608 59.535 58.000 -0.121 0.000 1.282 160 F CB -0.847 38.088 39.000 -0.107 0.000 1.010 160 F HN 0.165 nan 8.300 nan 0.000 0.485 161 G N -0.295 108.557 108.800 0.087 0.000 2.421 161 G HA2 -0.207 3.754 3.960 0.001 0.000 0.216 161 G HA3 -0.207 3.754 3.960 0.001 0.000 0.216 161 G C 1.847 176.773 174.900 0.042 0.000 1.171 161 G CA 1.129 46.252 45.100 0.038 0.000 0.775 161 G HN 0.232 nan 8.290 nan 0.000 0.543 162 V N 1.689 121.594 119.914 -0.015 0.000 2.282 162 V HA -0.270 3.850 4.120 0.001 0.000 0.249 162 V C 2.748 178.881 176.094 0.065 0.000 1.057 162 V CA 2.233 64.541 62.300 0.015 0.000 1.032 162 V CB -0.632 31.154 31.823 -0.061 0.000 0.645 162 V HN 0.323 nan 8.190 nan 0.000 0.447 163 N N 0.497 119.180 118.700 -0.028 0.000 2.069 163 N HA -0.150 4.591 4.740 0.001 0.000 0.191 163 N C 1.842 177.373 175.510 0.035 0.000 1.031 163 N CA 1.850 54.871 53.050 -0.049 0.000 0.852 163 N CB -0.722 37.665 38.487 -0.167 0.000 1.018 163 N HN 0.504 nan 8.380 nan 0.000 0.423 164 A N 0.272 123.132 122.820 0.067 0.000 1.877 164 A HA -0.115 4.206 4.320 0.001 0.000 0.216 164 A C 2.138 179.781 177.584 0.097 0.000 1.186 164 A CA 1.074 53.160 52.037 0.080 0.000 0.620 164 A CB -1.065 17.987 19.000 0.086 0.000 0.822 164 A HN 0.317 nan 8.150 nan 0.000 0.443 165 F N 1.568 121.513 119.950 -0.007 0.000 2.120 165 F HA -0.214 4.314 4.527 0.001 0.000 0.300 165 F C 2.472 178.278 175.800 0.009 0.000 1.095 165 F CA 2.073 60.069 58.000 -0.008 0.000 1.249 165 F CB -0.331 38.654 39.000 -0.025 0.000 0.995 165 F HN 0.201 nan 8.300 nan 0.000 0.480 166 S N -0.418 115.300 115.700 0.030 0.000 2.387 166 S HA -0.160 4.311 4.470 0.001 0.000 0.226 166 S C 1.776 176.394 174.600 0.030 0.000 1.026 166 S CA 1.059 59.249 58.200 -0.016 0.000 0.972 166 S CB -0.354 62.899 63.200 0.088 0.000 0.814 166 S HN 0.491 nan 8.310 nan 0.000 0.477 167 E N 1.919 122.172 120.200 0.088 0.000 2.077 167 E HA -0.131 4.219 4.350 0.001 0.000 0.193 167 E C 1.880 178.420 176.600 -0.100 0.000 0.989 167 E CA 2.004 58.426 56.400 0.037 0.000 0.800 167 E CB -0.844 28.900 29.700 0.074 0.000 0.746 167 E HN 0.401 nan 8.360 nan 0.000 0.452 168 T N 1.114 115.599 114.554 -0.115 0.000 2.746 168 T HA -0.131 4.220 4.350 0.001 0.000 0.267 168 T C 1.761 176.339 174.700 -0.204 0.000 1.039 168 T CA 1.210 63.223 62.100 -0.145 0.000 1.142 168 T CB -0.452 68.339 68.868 -0.128 0.000 0.866 168 T HN 0.178 nan 8.240 nan 0.000 0.444 169 L N 1.503 122.533 121.223 -0.321 0.000 2.012 169 L HA -0.059 4.282 4.340 0.001 0.000 0.210 169 L C 2.556 179.316 176.870 -0.184 0.000 1.073 169 L CA 1.792 56.440 54.840 -0.321 0.000 0.748 169 L CB -0.497 41.279 42.059 -0.473 0.000 0.891 169 L HN 0.071 nan 8.230 nan 0.000 0.431 170 R N -0.796 119.606 120.500 -0.162 0.000 2.083 170 R HA -0.224 4.116 4.340 0.001 0.000 0.237 170 R C 2.280 178.489 176.300 -0.151 0.000 1.137 170 R CA 2.198 58.199 56.100 -0.165 0.000 0.951 170 R CB -0.321 29.797 30.300 -0.303 0.000 0.851 170 R HN 0.590 nan 8.270 nan 0.000 0.434 171 Q N -0.163 119.548 119.800 -0.149 0.000 2.135 171 Q HA -0.191 4.149 4.340 0.001 0.000 0.204 171 Q C 1.911 177.858 176.000 -0.088 0.000 0.981 171 Q CA 1.853 57.588 55.803 -0.112 0.000 0.856 171 Q CB 0.017 28.696 28.738 -0.099 0.000 0.902 171 Q HN 0.540 nan 8.270 nan 0.000 0.425 172 E N -0.234 119.909 120.200 -0.095 0.000 2.112 172 E HA -0.116 4.234 4.350 0.001 0.000 0.190 172 E C 1.889 178.454 176.600 -0.058 0.000 0.979 172 E CA 1.538 57.894 56.400 -0.074 0.000 0.814 172 E CB 0.292 29.941 29.700 -0.085 0.000 0.762 172 E HN 0.329 nan 8.360 nan 0.000 0.460 173 V N -3.055 116.822 119.914 -0.063 0.000 3.604 173 V HA 0.139 4.260 4.120 0.001 0.000 0.277 173 V C 1.917 177.992 176.094 -0.031 0.000 1.399 173 V CA 0.623 62.899 62.300 -0.039 0.000 1.034 173 V CB 0.504 32.307 31.823 -0.032 0.000 0.824 173 V HN 0.057 nan 8.190 nan 0.000 0.439 174 T N 1.145 115.668 114.554 -0.052 0.000 2.788 174 T HA -0.175 4.175 4.350 0.001 0.000 0.268 174 T C 1.671 176.353 174.700 -0.030 0.000 1.044 174 T CA 2.423 64.491 62.100 -0.054 0.000 1.139 174 T CB -0.325 68.491 68.868 -0.088 0.000 0.867 174 T HN 0.748 nan 8.240 nan 0.000 0.454 175 E N 0.082 120.268 120.200 -0.024 0.000 2.265 175 E HA -0.033 4.317 4.350 0.001 0.000 0.196 175 E C 2.107 178.716 176.600 0.015 0.000 0.996 175 E CA 0.621 57.017 56.400 -0.007 0.000 0.832 175 E CB 0.020 29.712 29.700 -0.013 0.000 0.756 175 E HN 0.382 nan 8.360 nan 0.000 0.491 176 R N -0.607 119.903 120.500 0.016 0.000 2.334 176 R HA 0.102 4.442 4.340 0.001 0.000 0.220 176 R C 0.814 177.155 176.300 0.068 0.000 0.917 176 R CA 0.457 56.575 56.100 0.030 0.000 1.073 176 R CB 0.721 31.029 30.300 0.014 0.000 1.056 176 R HN 0.211 nan 8.270 nan 0.000 0.506 177 G N 0.552 109.411 108.800 0.098 0.000 2.141 177 G HA2 -0.234 3.727 3.960 0.001 0.000 0.242 177 G HA3 -0.234 3.727 3.960 0.001 0.000 0.242 177 G C 0.022 175.058 174.900 0.228 0.000 0.982 177 G CA -0.151 45.092 45.100 0.238 0.000 0.662 177 G HN 0.140 nan 8.290 nan 0.000 0.527 178 V N 1.977 121.945 119.914 0.089 0.000 2.385 178 V HA 0.396 4.516 4.120 0.001 0.000 0.269 178 V C 1.028 177.129 176.094 0.011 0.000 1.043 178 V CA -0.442 61.895 62.300 0.061 0.000 0.906 178 V CB 0.954 32.799 31.823 0.037 0.000 0.995 178 V HN 0.368 nan 8.190 nan 0.000 0.467 179 R N 3.668 124.171 120.500 0.005 0.000 2.308 179 R HA 0.552 4.892 4.340 0.001 0.000 0.305 179 R C -1.006 175.296 176.300 0.005 0.000 1.053 179 R CA -0.506 55.574 56.100 -0.033 0.000 0.957 179 R CB 1.556 31.816 30.300 -0.067 0.000 1.022 179 R HN 0.496 nan 8.270 nan 0.000 0.461 180 V N 4.458 124.390 119.914 0.030 0.000 2.357 180 V HA 0.266 4.386 4.120 0.001 0.000 0.284 180 V C -0.107 176.083 176.094 0.159 0.000 1.018 180 V CA -0.716 61.636 62.300 0.087 0.000 0.841 180 V CB 1.666 33.549 31.823 0.100 0.000 0.991 180 V HN 0.452 nan 8.190 nan 0.000 0.437 181 V N 5.755 125.697 119.914 0.046 0.000 2.459 181 V HA 0.552 4.673 4.120 0.001 0.000 0.295 181 V C -0.295 175.741 176.094 -0.096 0.000 1.029 181 V CA -0.558 61.728 62.300 -0.024 0.000 0.874 181 V CB 2.191 33.997 31.823 -0.028 0.000 0.985 181 V HN 0.600 nan 8.190 nan 0.000 0.438 182 V N 5.774 125.563 119.914 -0.208 0.000 2.407 182 V HA 0.496 4.617 4.120 0.001 0.000 0.291 182 V C -0.379 175.633 176.094 -0.137 0.000 1.018 182 V CA -0.522 61.655 62.300 -0.205 0.000 0.842 182 V CB 1.720 33.338 31.823 -0.341 0.000 0.996 182 V HN 0.585 nan 8.190 nan 0.000 0.426 183 I N 3.976 124.500 120.570 -0.076 0.000 2.359 183 I HA 0.483 4.654 4.170 0.001 0.000 0.294 183 I C 0.210 176.304 176.117 -0.039 0.000 0.987 183 I CA -0.372 60.912 61.300 -0.027 0.000 1.225 183 I CB 1.612 39.616 38.000 0.008 0.000 1.366 183 I HN 0.716 nan 8.210 nan 0.000 0.466 184 E N 7.168 127.366 120.200 -0.003 0.000 2.683 184 E HA 0.325 4.675 4.350 0.001 0.000 0.224 184 E C -2.504 174.182 176.600 0.144 0.000 1.046 184 E CA -1.581 54.808 56.400 -0.018 0.000 0.811 184 E CB 1.366 30.940 29.700 -0.210 0.000 1.296 184 E HN 0.346 nan 8.360 nan 0.000 0.421 185 P HA 0.138 nan 4.420 nan 0.000 0.278 185 P C 0.357 177.765 177.300 0.179 0.000 1.238 185 P CA -0.245 62.940 63.100 0.143 0.000 0.794 185 P CB 1.208 32.968 31.700 0.100 0.000 0.955 186 G N 0.957 109.865 108.800 0.180 0.000 2.494 186 G HA2 0.215 4.175 3.960 0.001 0.000 0.270 186 G HA3 0.215 4.175 3.960 0.001 0.000 0.270 186 G C -0.588 174.392 174.900 0.133 0.000 1.423 186 G CA -0.424 44.776 45.100 0.166 0.000 1.055 186 G HN 0.422 nan 8.290 nan 0.000 0.536 187 T N 1.066 115.693 114.554 0.122 0.000 2.778 187 T HA 0.323 4.673 4.350 0.001 0.000 0.282 187 T C 0.064 174.812 174.700 0.080 0.000 0.983 187 T CA 0.638 62.806 62.100 0.113 0.000 1.193 187 T CB -0.100 68.806 68.868 0.063 0.000 0.938 187 T HN 0.422 nan 8.240 nan 0.000 0.523 188 T N 2.708 117.319 114.554 0.094 0.000 2.863 188 T HA 0.244 4.594 4.350 0.001 0.000 0.285 188 T C -0.178 174.562 174.700 0.068 0.000 1.009 188 T CA -0.847 61.295 62.100 0.071 0.000 0.989 188 T CB 1.619 70.531 68.868 0.074 0.000 1.004 188 T HN 0.448 nan 8.240 nan 0.000 0.455 189 D N 3.221 123.649 120.400 0.047 0.000 2.455 189 D HA 0.276 4.917 4.640 0.001 0.000 0.234 189 D C 0.509 176.836 176.300 0.045 0.000 1.224 189 D CA 0.155 54.179 54.000 0.040 0.000 0.999 189 D CB -0.056 40.759 40.800 0.024 0.000 1.072 189 D HN 0.660 nan 8.370 nan 0.000 0.514 190 T N -0.719 113.870 114.554 0.058 0.000 2.645 190 T HA 0.374 4.724 4.350 0.001 0.000 0.273 190 T C 0.951 175.685 174.700 0.057 0.000 0.960 190 T CA -0.687 61.448 62.100 0.058 0.000 1.051 190 T CB 0.833 69.742 68.868 0.069 0.000 1.366 190 T HN 0.103 nan 8.240 nan 0.000 0.536 191 E N -0.188 120.050 120.200 0.062 0.000 2.489 191 E HA 0.114 4.464 4.350 0.001 0.000 0.193 191 E C 1.676 178.327 176.600 0.084 0.000 1.057 191 E CA -0.081 56.348 56.400 0.049 0.000 0.866 191 E CB -0.109 29.631 29.700 0.067 0.000 0.916 191 E HN 0.423 nan 8.360 nan 0.000 0.500 192 L N 2.180 123.474 121.223 0.118 0.000 2.021 192 L HA -0.266 4.075 4.340 0.001 0.000 0.215 192 L C 2.386 179.320 176.870 0.106 0.000 1.074 192 L CA 1.961 56.886 54.840 0.141 0.000 0.760 192 L CB -0.211 41.892 42.059 0.074 0.000 0.889 192 L HN 0.086 nan 8.230 nan 0.000 0.433 193 R N -1.361 119.176 120.500 0.061 0.000 2.235 193 R HA 0.038 4.379 4.340 0.001 0.000 0.213 193 R C 1.954 178.254 176.300 -0.001 0.000 1.059 193 R CA 0.957 57.078 56.100 0.034 0.000 0.997 193 R CB -1.116 29.311 30.300 0.212 0.000 0.884 193 R HN 0.408 nan 8.270 nan 0.000 0.462 194 G N 0.415 109.172 108.800 -0.073 0.000 2.559 194 G HA2 -0.192 3.769 3.960 0.001 0.000 0.216 194 G HA3 -0.192 3.769 3.960 0.001 0.000 0.216 194 G C 0.555 175.310 174.900 -0.242 0.000 1.126 194 G CA 0.435 45.430 45.100 -0.176 0.000 0.778 194 G HN 0.475 nan 8.290 nan 0.000 0.543 195 H N -0.564 118.496 119.070 -0.016 0.000 2.563 195 H HA 0.290 4.846 4.556 0.001 0.000 0.264 195 H C 0.885 176.198 175.328 -0.025 0.000 0.957 195 H CA -0.557 55.480 56.048 -0.019 0.000 1.173 195 H CB 0.354 30.103 29.762 -0.022 0.000 1.420 195 H HN 0.229 nan 8.280 nan 0.000 0.551 196 I N 2.265 122.863 120.570 0.047 0.000 2.821 196 I HA -0.162 4.009 4.170 0.001 0.000 0.294 196 I C 1.643 177.784 176.117 0.040 0.000 1.210 196 I CA 0.585 61.896 61.300 0.018 0.000 1.430 196 I CB 0.886 38.873 38.000 -0.021 0.000 1.356 196 I HN 0.402 nan 8.210 nan 0.000 0.563 197 T N 1.992 116.579 114.554 0.057 0.000 3.031 197 T HA -0.089 4.261 4.350 0.001 0.000 0.254 197 T C 0.978 175.710 174.700 0.055 0.000 1.060 197 T CA 0.285 62.414 62.100 0.049 0.000 1.135 197 T CB -0.104 68.791 68.868 0.045 0.000 0.896 197 T HN 0.561 nan 8.240 nan 0.000 0.472 198 H N 2.095 121.167 119.070 0.004 0.000 3.017 198 H HA 0.217 4.773 4.556 0.001 0.000 0.276 198 H C 0.685 176.020 175.328 0.011 0.000 1.062 198 H CA 0.341 56.393 56.048 0.008 0.000 1.486 198 H CB 0.953 30.726 29.762 0.018 0.000 1.507 198 H HN 0.222 nan 8.280 nan 0.000 0.508 199 T N 3.981 118.403 114.554 -0.220 0.000 2.708 199 T HA -0.159 4.191 4.350 0.001 0.000 0.266 199 T C 2.191 176.870 174.700 -0.034 0.000 1.037 199 T CA 1.503 63.540 62.100 -0.106 0.000 1.146 199 T CB -0.139 68.655 68.868 -0.123 0.000 0.865 199 T HN 0.721 nan 8.240 nan 0.000 0.435 200 A N 1.294 124.066 122.820 -0.080 0.000 1.908 200 A HA -0.146 4.175 4.320 0.001 0.000 0.218 200 A C 2.544 180.236 177.584 0.180 0.000 1.181 200 A CA 2.168 54.248 52.037 0.071 0.000 0.627 200 A CB -1.215 17.852 19.000 0.112 0.000 0.818 200 A HN 0.503 nan 8.150 nan 0.000 0.445 201 T N -0.558 114.206 114.554 0.351 0.000 2.812 201 T HA -0.096 4.254 4.350 0.001 0.000 0.264 201 T C 1.955 176.760 174.700 0.174 0.000 1.042 201 T CA 1.414 63.656 62.100 0.237 0.000 1.140 201 T CB -0.161 68.818 68.868 0.185 0.000 0.870 201 T HN 0.584 nan 8.240 nan 0.000 0.445 202 K N 1.110 121.599 120.400 0.148 0.000 2.044 202 K HA -0.144 4.176 4.320 0.001 0.000 0.210 202 K C 1.300 177.984 176.600 0.140 0.000 1.049 202 K CA 1.272 57.634 56.287 0.125 0.000 0.927 202 K CB -0.054 32.490 32.500 0.073 0.000 0.713 202 K HN 0.302 nan 8.250 nan 0.000 0.443 206 E N 1.082 121.288 120.200 0.010 0.000 2.058 206 E HA -0.210 4.141 4.350 0.001 0.000 0.194 206 E C 1.546 178.081 176.600 -0.108 0.000 0.997 206 E CA 1.751 58.109 56.400 -0.070 0.000 0.801 206 E CB -0.051 29.659 29.700 0.018 0.000 0.746 206 E HN 0.568 nan 8.360 nan 0.000 0.450 207 Q N 0.193 119.959 119.800 -0.057 0.000 2.124 207 Q HA -0.131 4.209 4.340 0.001 0.000 0.202 207 Q C 2.219 178.172 176.000 -0.078 0.000 0.977 207 Q CA 0.918 56.691 55.803 -0.050 0.000 0.850 207 Q CB -0.339 28.390 28.738 -0.016 0.000 0.901 207 Q HN 0.211 nan 8.270 nan 0.000 0.429 208 R N 1.004 121.439 120.500 -0.107 0.000 2.120 208 R HA -0.081 4.260 4.340 0.001 0.000 0.234 208 R C 2.076 178.279 176.300 -0.163 0.000 1.123 208 R CA 1.139 57.171 56.100 -0.114 0.000 0.975 208 R CB -0.080 30.164 30.300 -0.092 0.000 0.866 208 R HN 0.382 nan 8.270 nan 0.000 0.446 209 I N -1.534 118.880 120.570 -0.261 0.000 3.928 209 I HA 0.200 4.370 4.170 0.001 0.000 0.335 209 I C 1.256 177.286 176.117 -0.145 0.000 1.325 209 I CA 0.131 61.287 61.300 -0.240 0.000 1.107 209 I CB 0.625 38.385 38.000 -0.400 0.000 1.014 209 I HN 0.002 nan 8.210 nan 0.000 0.400 210 S N 0.684 116.316 115.700 -0.113 0.000 2.423 210 S HA -0.067 4.403 4.470 0.001 0.000 0.231 210 S C 1.514 176.082 174.600 -0.052 0.000 1.014 210 S CA 0.675 58.831 58.200 -0.072 0.000 0.965 210 S CB -0.435 62.732 63.200 -0.056 0.000 0.785 210 S HN 0.708 nan 8.310 nan 0.000 0.495 211 Q N 1.078 120.848 119.800 -0.050 0.000 2.206 211 Q HA 0.475 4.815 4.340 0.001 0.000 0.265 211 Q C -0.301 175.678 176.000 -0.034 0.000 0.866 211 Q CA -0.271 55.511 55.803 -0.036 0.000 1.073 211 Q CB 0.413 29.134 28.738 -0.030 0.000 1.165 211 Q HN 0.791 nan 8.270 nan 0.000 0.465 212 I N -3.389 117.158 120.570 -0.039 0.000 2.846 212 I HA 0.548 4.718 4.170 0.001 0.000 0.307 212 I C -0.565 175.536 176.117 -0.027 0.000 1.053 212 I CA -1.611 59.670 61.300 -0.032 0.000 1.050 212 I CB 1.729 39.708 38.000 -0.034 0.000 1.239 212 I HN -0.168 nan 8.210 nan 0.000 0.439 213 R N 3.501 123.989 120.500 -0.021 0.000 2.296 213 R HA 0.288 4.629 4.340 0.001 0.000 0.323 213 R C -0.588 175.703 176.300 -0.014 0.000 1.067 213 R CA -0.394 55.696 56.100 -0.017 0.000 0.946 213 R CB 0.502 30.793 30.300 -0.015 0.000 0.991 213 R HN 0.541 nan 8.270 nan 0.000 0.448 214 K N 2.868 123.262 120.400 -0.011 0.000 2.154 214 K HA 0.198 4.518 4.320 0.001 0.000 0.264 214 K C 0.207 176.810 176.600 0.005 0.000 1.008 214 K CA -0.557 55.729 56.287 -0.002 0.000 0.937 214 K CB 0.747 33.248 32.500 0.002 0.000 1.002 214 K HN 0.282 nan 8.250 nan 0.000 0.469 215 L N 2.384 123.615 121.223 0.014 0.000 2.483 215 L HA -0.049 4.292 4.340 0.001 0.000 0.275 215 L C 0.640 177.524 176.870 0.023 0.000 1.220 215 L CA -0.035 54.816 54.840 0.018 0.000 0.833 215 L CB -0.002 42.074 42.059 0.028 0.000 1.102 215 L HN 0.414 nan 8.230 nan 0.000 0.490 216 Q N 0.962 120.774 119.800 0.020 0.000 2.226 216 Q HA 0.312 4.653 4.340 0.001 0.000 0.256 216 Q C 0.771 176.789 176.000 0.029 0.000 0.962 216 Q CA -0.159 55.657 55.803 0.022 0.000 0.887 216 Q CB 1.684 30.431 28.738 0.016 0.000 1.282 216 Q HN 0.748 nan 8.270 nan 0.000 0.449 217 A N 2.062 124.901 122.820 0.031 0.000 1.948 217 A HA -0.291 4.029 4.320 0.001 0.000 0.220 217 A C 1.773 179.376 177.584 0.031 0.000 1.177 217 A CA 1.881 53.939 52.037 0.035 0.000 0.636 217 A CB -0.198 18.822 19.000 0.034 0.000 0.815 217 A HN 0.693 nan 8.150 nan 0.000 0.449 218 Q N 0.440 120.255 119.800 0.026 0.000 2.135 218 Q HA -0.166 4.175 4.340 0.001 0.000 0.204 218 Q C 1.570 177.586 176.000 0.025 0.000 0.981 218 Q CA 1.799 57.617 55.803 0.024 0.000 0.856 218 Q CB -0.366 28.383 28.738 0.019 0.000 0.902 218 Q HN 0.686 nan 8.270 nan 0.000 0.425 219 D N -0.121 120.293 120.400 0.023 0.000 2.117 219 D HA -0.139 4.502 4.640 0.001 0.000 0.197 219 D C 1.705 178.025 176.300 0.032 0.000 0.987 219 D CA 0.948 54.961 54.000 0.023 0.000 0.829 219 D CB -0.092 40.719 40.800 0.017 0.000 0.961 219 D HN 0.216 nan 8.370 nan 0.000 0.460 220 I N 1.359 121.952 120.570 0.038 0.000 2.252 220 I HA -0.134 4.036 4.170 0.001 0.000 0.245 220 I C 2.569 178.713 176.117 0.046 0.000 1.102 220 I CA 0.501 61.828 61.300 0.045 0.000 1.385 220 I CB -1.527 36.502 38.000 0.048 0.000 1.064 220 I HN -0.127 nan 8.210 nan 0.000 0.414 221 A N 0.676 123.520 122.820 0.040 0.000 1.940 221 A HA -0.191 4.130 4.320 0.001 0.000 0.219 221 A C 2.182 179.794 177.584 0.047 0.000 1.176 221 A CA 1.468 53.529 52.037 0.039 0.000 0.631 221 A CB -0.446 18.573 19.000 0.033 0.000 0.814 221 A HN 0.344 nan 8.150 nan 0.000 0.446 222 E N -0.095 120.133 120.200 0.048 0.000 2.153 222 E HA -0.101 4.249 4.350 0.001 0.000 0.194 222 E C 2.321 178.978 176.600 0.095 0.000 0.988 222 E CA 1.163 57.598 56.400 0.059 0.000 0.811 222 E CB -0.602 29.123 29.700 0.041 0.000 0.746 222 E HN 0.590 nan 8.360 nan 0.000 0.466 223 A N 0.875 123.749 122.820 0.090 0.000 1.877 223 A HA -0.135 4.185 4.320 0.001 0.000 0.216 223 A C 2.614 180.280 177.584 0.136 0.000 1.186 223 A CA 1.466 53.583 52.037 0.134 0.000 0.620 223 A CB -0.692 18.366 19.000 0.098 0.000 0.822 223 A HN 0.138 nan 8.150 nan 0.000 0.443 224 V N 0.256 120.216 119.914 0.078 0.000 2.287 224 V HA -0.278 3.842 4.120 0.001 0.000 0.248 224 V C 2.679 178.795 176.094 0.035 0.000 1.053 224 V CA 2.323 64.650 62.300 0.044 0.000 1.027 224 V CB -0.842 31.000 31.823 0.032 0.000 0.646 224 V HN 0.634 nan 8.190 nan 0.000 0.447 225 R N -0.914 119.619 120.500 0.056 0.000 2.083 225 R HA -0.238 4.103 4.340 0.001 0.000 0.237 225 R C 2.434 178.767 176.300 0.056 0.000 1.137 225 R CA 2.342 58.471 56.100 0.049 0.000 0.951 225 R CB -0.558 29.778 30.300 0.059 0.000 0.851 225 R HN 0.628 nan 8.270 nan 0.000 0.434 226 Y N 0.723 121.025 120.300 0.004 0.000 2.097 226 Y HA -0.240 4.310 4.550 0.001 0.000 0.282 226 Y C 2.072 177.970 175.900 -0.004 0.000 1.152 226 Y CA 1.727 59.827 58.100 0.000 0.000 1.136 226 Y CB -0.709 37.752 38.460 0.001 0.000 0.975 226 Y HN 0.159 nan 8.280 nan 0.000 0.498 227 A N 0.135 122.735 122.820 -0.367 0.000 1.902 227 A HA -0.134 4.187 4.320 0.001 0.000 0.217 227 A C 2.310 179.727 177.584 -0.279 0.000 1.181 227 A CA 2.589 54.371 52.037 -0.425 0.000 0.623 227 A CB -1.571 17.335 19.000 -0.157 0.000 0.818 227 A HN 0.689 nan 8.150 nan 0.000 0.443 228 V N -2.220 117.603 119.914 -0.152 0.000 2.951 228 V HA -0.053 4.067 4.120 0.001 0.000 0.255 228 V C 2.040 178.081 176.094 -0.087 0.000 1.088 228 V CA 2.088 64.334 62.300 -0.090 0.000 1.109 228 V CB -1.394 30.407 31.823 -0.037 0.000 0.724 228 V HN 0.641 nan 8.190 nan 0.000 0.471 229 T N -1.579 112.913 114.554 -0.105 0.000 3.107 229 T HA 0.495 4.846 4.350 0.001 0.000 0.249 229 T C 0.942 175.579 174.700 -0.104 0.000 1.096 229 T CA 0.441 62.499 62.100 -0.070 0.000 1.012 229 T CB -0.299 68.555 68.868 -0.023 0.000 0.977 229 T HN 0.931 nan 8.240 nan 0.000 0.527 230 A N 3.389 126.085 122.820 -0.207 0.000 2.466 230 A HA 0.496 4.817 4.320 0.001 0.000 0.238 230 A C -1.864 175.620 177.584 -0.167 0.000 1.074 230 A CA -1.201 50.702 52.037 -0.224 0.000 0.774 230 A CB -0.300 18.493 19.000 -0.345 0.000 1.015 230 A HN 0.351 nan 8.150 nan 0.000 0.498 231 P HA -0.012 nan 4.420 nan 0.000 0.269 231 P C 0.801 177.971 177.300 -0.218 0.000 1.215 231 P CA 0.042 63.043 63.100 -0.164 0.000 0.780 231 P CB 0.252 31.836 31.700 -0.193 0.000 0.898 232 H N 2.635 121.630 119.070 -0.124 0.000 2.390 232 H HA -0.205 4.352 4.556 0.001 0.000 0.298 232 H C 1.611 176.891 175.328 -0.079 0.000 1.106 232 H CA 1.919 57.921 56.048 -0.077 0.000 1.297 232 H CB -0.054 29.703 29.762 -0.008 0.000 1.375 232 H HN 0.575 nan 8.280 nan 0.000 0.509 233 H N -0.881 118.159 119.070 -0.051 0.000 2.561 233 H HA 0.230 4.787 4.556 0.001 0.000 0.278 233 H C 0.153 175.413 175.328 -0.112 0.000 1.014 233 H CA 0.594 56.589 56.048 -0.089 0.000 1.211 233 H CB -0.151 29.607 29.762 -0.007 0.000 1.365 233 H HN 0.273 nan 8.280 nan 0.000 0.594 234 A N 1.381 123.923 122.820 -0.462 0.000 2.303 234 A HA 0.448 4.769 4.320 0.001 0.000 0.320 234 A C -0.406 177.044 177.584 -0.223 0.000 1.192 234 A CA -0.596 51.272 52.037 -0.282 0.000 0.821 234 A CB 0.989 19.799 19.000 -0.316 0.000 1.188 234 A HN 0.278 nan 8.150 nan 0.000 0.492 235 T N 2.631 117.101 114.554 -0.141 0.000 2.821 235 T HA 0.342 4.692 4.350 0.001 0.000 0.307 235 T C -0.136 174.541 174.700 -0.039 0.000 1.034 235 T CA -0.178 61.861 62.100 -0.102 0.000 0.953 235 T CB 0.691 69.510 68.868 -0.082 0.000 0.968 235 T HN 0.385 nan 8.240 nan 0.000 0.462 236 V N 4.807 124.684 119.914 -0.061 0.000 2.287 236 V HA 0.057 4.177 4.120 0.001 0.000 0.246 236 V C 1.434 177.552 176.094 0.039 0.000 1.165 236 V CA -0.056 62.236 62.300 -0.014 0.000 1.088 236 V CB -0.615 31.152 31.823 -0.093 0.000 1.242 236 V HN 0.877 nan 8.190 nan 0.000 0.497 237 H N 3.042 122.095 119.070 -0.027 0.000 2.428 237 H HA 0.135 4.692 4.556 0.001 0.000 0.296 237 H C 0.743 176.060 175.328 -0.018 0.000 1.062 237 H CA 1.355 57.385 56.048 -0.031 0.000 1.350 237 H CB 0.521 30.262 29.762 -0.035 0.000 1.403 237 H HN 0.665 nan 8.280 nan 0.000 0.533 238 E N -0.099 120.061 120.200 -0.066 0.000 2.290 238 E HA 0.374 4.724 4.350 0.001 0.000 0.274 238 E C -1.167 175.443 176.600 0.016 0.000 0.889 238 E CA -0.533 55.803 56.400 -0.106 0.000 0.760 238 E CB 2.507 32.145 29.700 -0.103 0.000 1.206 238 E HN 0.158 nan 8.360 nan 0.000 0.419 239 I N 3.218 123.807 120.570 0.030 0.000 2.418 239 I HA 0.311 4.481 4.170 0.001 0.000 0.287 239 I C -1.108 175.105 176.117 0.159 0.000 1.008 239 I CA -0.840 60.523 61.300 0.105 0.000 1.104 239 I CB 1.161 39.232 38.000 0.118 0.000 1.264 239 I HN 0.398 nan 8.210 nan 0.000 0.438 240 F N 8.603 128.542 119.950 -0.019 0.000 2.347 240 F HA 0.556 5.084 4.527 0.001 0.000 0.366 240 F C -0.772 175.019 175.800 -0.015 0.000 1.107 240 F CA -1.616 56.368 58.000 -0.027 0.000 1.058 240 F CB 0.959 39.939 39.000 -0.033 0.000 1.236 240 F HN 0.280 nan 8.300 nan 0.000 0.456 241 I N 7.469 128.160 120.570 0.202 0.000 2.406 241 I HA 0.516 4.687 4.170 0.001 0.000 0.290 241 I C -1.105 174.987 176.117 -0.040 0.000 0.999 241 I CA -0.524 60.777 61.300 0.001 0.000 1.124 241 I CB 0.910 38.931 38.000 0.035 0.000 1.289 241 I HN 0.598 nan 8.210 nan 0.000 0.441 242 R N 6.663 127.066 120.500 -0.161 0.000 2.803 242 R HA 0.565 4.905 4.340 0.001 0.000 0.276 242 R C -2.641 173.613 176.300 -0.078 0.000 0.978 242 R CA -1.847 54.169 56.100 -0.140 0.000 0.939 242 R CB 1.368 31.500 30.300 -0.280 0.000 1.179 242 R HN 0.392 nan 8.270 nan 0.000 0.472 243 P HA 0.055 nan 4.420 nan 0.000 0.271 243 P C 0.183 177.455 177.300 -0.048 0.000 1.220 243 P CA 0.024 63.105 63.100 -0.032 0.000 0.768 243 P CB 0.724 32.415 31.700 -0.015 0.000 0.848 244 T N 0.270 114.797 114.554 -0.046 0.000 2.803 244 T HA -0.132 4.218 4.350 0.001 0.000 0.269 244 T C 0.908 175.585 174.700 -0.038 0.000 1.052 244 T CA 1.477 63.549 62.100 -0.047 0.000 1.136 244 T CB -0.454 68.389 68.868 -0.041 0.000 0.864 244 T HN 0.454 nan 8.240 nan 0.000 0.467 245 D N 0.779 121.161 120.400 -0.030 0.000 2.355 245 D HA 0.029 4.670 4.640 0.001 0.000 0.218 245 D C 0.888 177.173 176.300 -0.024 0.000 1.004 245 D CA 0.434 54.419 54.000 -0.025 0.000 0.880 245 D CB 0.047 40.833 40.800 -0.023 0.000 0.911 245 D HN 0.455 nan 8.370 nan 0.000 0.528 246 Q N 1.208 120.993 119.800 -0.025 0.000 2.368 246 Q HA 0.292 4.633 4.340 0.001 0.000 0.263 246 Q C -0.317 175.674 176.000 -0.015 0.000 1.009 246 Q CA -0.439 55.354 55.803 -0.017 0.000 0.818 246 Q CB 1.498 30.230 28.738 -0.011 0.000 1.239 246 Q HN -0.192 nan 8.270 nan 0.000 0.464 247 V N 0.000 119.909 119.914 -0.008 0.000 2.409 247 V HA 0.000 4.121 4.120 0.001 0.000 0.244 247 V CA 0.000 62.299 62.300 -0.002 0.000 1.235 247 V CB 0.000 31.825 31.823 0.003 0.000 1.184 247 V HN 0.000 nan 8.190 nan 0.000 0.556