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_B 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 0.000 174.608 174.600 0.013 0.000 1.055 3 S CA 0.000 58.208 58.200 0.013 0.000 1.107 3 S CB 0.000 63.207 63.200 0.011 0.000 0.593 4 A N 1.355 124.183 122.820 0.014 0.000 2.070 4 A HA 0.294 4.615 4.320 0.001 0.000 0.220 4 A C 1.521 179.111 177.584 0.010 0.000 1.159 4 A CA 1.222 53.267 52.037 0.013 0.000 0.656 4 A CB -0.450 18.559 19.000 0.015 0.000 0.800 4 A HN 0.730 nan 8.150 nan 0.000 0.453 5 L N -0.595 120.634 121.223 0.010 0.000 2.910 5 L HA 0.168 4.508 4.340 0.001 0.000 0.252 5 L C 0.421 177.295 176.870 0.007 0.000 1.195 5 L CA -0.542 54.303 54.840 0.008 0.000 1.003 5 L CB 0.081 42.146 42.059 0.009 0.000 1.328 5 L HN 0.275 nan 8.230 nan 0.000 0.540 6 Q N 1.457 121.261 119.800 0.007 0.000 2.283 6 Q HA 0.198 4.538 4.340 0.001 0.000 0.301 6 Q C 1.260 177.262 176.000 0.003 0.000 1.063 6 Q CA 1.453 57.259 55.803 0.006 0.000 0.952 6 Q CB 0.598 29.339 28.738 0.006 0.000 1.166 6 Q HN 0.432 nan 8.270 nan 0.000 0.381 7 G N 3.096 111.897 108.800 0.002 0.000 2.199 7 G HA2 -0.221 3.739 3.960 0.001 0.000 0.254 7 G HA3 -0.221 3.739 3.960 0.001 0.000 0.254 7 G C -0.181 174.717 174.900 -0.002 0.000 0.982 7 G CA 0.268 45.368 45.100 -0.001 0.000 0.632 7 G HN 0.544 nan 8.290 nan 0.000 0.529 8 K N 0.278 120.679 120.400 0.000 0.000 2.118 8 K HA 0.658 4.978 4.320 0.001 0.000 0.264 8 K C 0.000 176.601 176.600 0.001 0.000 1.000 8 K CA -0.517 55.771 56.287 0.001 0.000 0.929 8 K CB 2.234 34.737 32.500 0.005 0.000 1.021 8 K HN 0.157 nan 8.250 nan 0.000 0.463 9 V N 1.421 121.335 119.914 -0.001 0.000 2.409 9 V HA 0.481 4.601 4.120 0.001 0.000 0.291 9 V C -0.369 175.728 176.094 0.005 0.000 1.020 9 V CA -0.970 61.328 62.300 -0.003 0.000 0.848 9 V CB 1.428 33.238 31.823 -0.020 0.000 0.990 9 V HN 0.844 nan 8.190 nan 0.000 0.430 10 A N 5.254 128.082 122.820 0.012 0.000 2.342 10 A HA 0.878 5.199 4.320 0.001 0.000 0.323 10 A C -1.216 176.383 177.584 0.026 0.000 1.125 10 A CA -0.562 51.487 52.037 0.019 0.000 0.785 10 A CB 1.436 20.448 19.000 0.021 0.000 1.221 10 A HN 0.763 nan 8.150 nan 0.000 0.463 11 L N 3.460 124.701 121.223 0.030 0.000 2.298 11 L HA 0.736 5.076 4.340 0.001 0.000 0.284 11 L C -1.340 175.553 176.870 0.038 0.000 1.013 11 L CA -0.700 54.163 54.840 0.039 0.000 0.824 11 L CB 0.610 42.693 42.059 0.039 0.000 1.221 11 L HN 0.511 nan 8.230 nan 0.000 0.418 12 I N 4.337 124.929 120.570 0.037 0.000 2.389 12 I HA 0.448 4.619 4.170 0.001 0.000 0.288 12 I C 0.518 176.654 176.117 0.032 0.000 0.999 12 I CA -0.201 61.119 61.300 0.033 0.000 1.129 12 I CB 1.915 39.932 38.000 0.030 0.000 1.288 12 I HN 0.732 nan 8.210 nan 0.000 0.444 13 T N 1.660 116.234 114.554 0.033 0.000 2.922 13 T HA 0.585 4.936 4.350 0.001 0.000 0.285 13 T C 0.930 175.646 174.700 0.026 0.000 1.005 13 T CA -0.135 61.983 62.100 0.029 0.000 1.061 13 T CB 1.426 70.314 68.868 0.033 0.000 1.007 13 T HN 1.205 nan 8.240 nan 0.000 0.502 14 G N 0.594 109.407 108.800 0.021 0.000 2.295 14 G HA2 -0.031 3.929 3.960 0.001 0.000 0.287 14 G HA3 -0.031 3.929 3.960 0.001 0.000 0.287 14 G C 0.686 175.600 174.900 0.024 0.000 1.055 14 G CA 0.020 45.133 45.100 0.021 0.000 0.922 14 G HN 1.515 nan 8.290 nan 0.000 0.503 15 A N -0.216 122.617 122.820 0.021 0.000 2.251 15 A HA 0.491 4.811 4.320 0.001 0.000 0.209 15 A C 2.337 179.933 177.584 0.020 0.000 1.187 15 A CA 1.609 53.658 52.037 0.021 0.000 0.823 15 A CB -0.240 18.772 19.000 0.019 0.000 0.846 15 A HN 1.606 nan 8.150 nan 0.000 0.486 16 S N -0.247 115.465 115.700 0.020 0.000 2.489 16 S HA 0.125 4.596 4.470 0.001 0.000 0.228 16 S C 0.848 175.465 174.600 0.028 0.000 0.995 16 S CA 0.679 58.891 58.200 0.020 0.000 0.934 16 S CB -0.461 62.750 63.200 0.018 0.000 0.771 16 S HN 1.087 nan 8.310 nan 0.000 0.522 17 S N -1.485 114.236 115.700 0.034 0.000 2.672 17 S HA 0.718 5.188 4.470 0.001 0.000 0.271 17 S C 0.481 175.107 174.600 0.043 0.000 1.171 17 S CA -0.403 57.821 58.200 0.040 0.000 0.817 17 S CB 0.680 63.911 63.200 0.052 0.000 1.150 17 S HN 1.548 nan 8.310 nan 0.000 0.478 18 G N 1.103 109.929 108.800 0.044 0.000 2.566 18 G HA2 -0.271 3.689 3.960 0.001 0.000 0.280 18 G HA3 -0.271 3.689 3.960 0.001 0.000 0.280 18 G C 0.663 175.589 174.900 0.043 0.000 1.225 18 G CA 0.392 45.521 45.100 0.048 0.000 0.966 18 G HN 1.253 nan 8.290 nan 0.000 0.560 19 I N 1.761 122.360 120.570 0.048 0.000 2.226 19 I HA -0.052 4.118 4.170 0.001 0.000 0.245 19 I C 3.080 179.221 176.117 0.039 0.000 1.100 19 I CA 1.891 63.218 61.300 0.045 0.000 1.374 19 I CB -0.703 37.327 38.000 0.051 0.000 1.057 19 I HN 0.648 nan 8.210 nan 0.000 0.413 20 G N 0.203 109.026 108.800 0.038 0.000 2.418 20 G HA2 -0.300 3.660 3.960 0.001 0.000 0.217 20 G HA3 -0.300 3.660 3.960 0.001 0.000 0.217 20 G C 1.531 176.449 174.900 0.030 0.000 1.158 20 G CA 0.912 46.032 45.100 0.033 0.000 0.771 20 G HN 0.475 nan 8.290 nan 0.000 0.545 21 E N 0.506 120.724 120.200 0.030 0.000 2.051 21 E HA -0.065 4.286 4.350 0.001 0.000 0.192 21 E C 2.711 179.327 176.600 0.026 0.000 0.991 21 E CA 1.131 57.547 56.400 0.026 0.000 0.799 21 E CB -0.273 29.443 29.700 0.026 0.000 0.748 21 E HN 0.338 nan 8.360 nan 0.000 0.449 22 A N 0.116 122.953 122.820 0.028 0.000 1.969 22 A HA -0.108 4.212 4.320 0.001 0.000 0.218 22 A C 2.341 179.942 177.584 0.028 0.000 1.169 22 A CA 1.749 53.802 52.037 0.028 0.000 0.635 22 A CB -0.700 18.318 19.000 0.029 0.000 0.810 22 A HN 0.335 nan 8.150 nan 0.000 0.445 23 T N 0.302 114.874 114.554 0.030 0.000 2.777 23 T HA 0.017 4.368 4.350 0.001 0.000 0.266 23 T C 2.263 176.980 174.700 0.027 0.000 1.040 23 T CA 1.416 63.534 62.100 0.030 0.000 1.141 23 T CB -0.433 68.453 68.868 0.031 0.000 0.868 23 T HN 0.577 nan 8.240 nan 0.000 0.444 24 A N 2.070 124.905 122.820 0.026 0.000 1.883 24 A HA -0.181 4.139 4.320 0.001 0.000 0.217 24 A C 2.384 179.981 177.584 0.023 0.000 1.186 24 A CA 1.571 53.622 52.037 0.024 0.000 0.624 24 A CB -0.543 18.471 19.000 0.023 0.000 0.822 24 A HN 0.411 nan 8.150 nan 0.000 0.444 25 R N -0.720 119.793 120.500 0.022 0.000 2.083 25 R HA -0.116 4.224 4.340 0.001 0.000 0.237 25 R C 2.504 178.817 176.300 0.021 0.000 1.137 25 R CA 1.327 57.439 56.100 0.020 0.000 0.951 25 R CB -0.498 29.814 30.300 0.020 0.000 0.851 25 R HN 0.531 nan 8.270 nan 0.000 0.434 26 A N 1.152 123.986 122.820 0.024 0.000 1.898 26 A HA -0.082 4.238 4.320 0.001 0.000 0.216 26 A C 2.197 179.796 177.584 0.024 0.000 1.181 26 A CA 1.010 53.062 52.037 0.025 0.000 0.620 26 A CB -0.423 18.595 19.000 0.030 0.000 0.819 26 A HN 0.151 nan 8.150 nan 0.000 0.442 27 L N -0.892 120.345 121.223 0.023 0.000 2.056 27 L HA -0.146 4.194 4.340 0.001 0.000 0.207 27 L C 3.120 180.001 176.870 0.019 0.000 1.078 27 L CA 0.983 55.835 54.840 0.021 0.000 0.749 27 L CB -0.701 41.370 42.059 0.021 0.000 0.901 27 L HN 0.437 nan 8.230 nan 0.000 0.433 28 A N 0.472 123.303 122.820 0.019 0.000 1.908 28 A HA -0.224 4.096 4.320 0.001 0.000 0.218 28 A C 2.522 180.116 177.584 0.016 0.000 1.181 28 A CA 1.883 53.931 52.037 0.018 0.000 0.627 28 A CB -0.741 18.270 19.000 0.018 0.000 0.818 28 A HN 0.408 nan 8.150 nan 0.000 0.445 29 A N -0.804 122.026 122.820 0.017 0.000 2.076 29 A HA -0.125 4.195 4.320 0.001 0.000 0.220 29 A C 1.721 179.315 177.584 0.017 0.000 1.160 29 A CA 1.578 53.625 52.037 0.017 0.000 0.653 29 A CB -0.297 18.714 19.000 0.018 0.000 0.801 29 A HN 0.468 nan 8.150 nan 0.000 0.455 30 E N -1.410 118.800 120.200 0.017 0.000 2.489 30 E HA 0.201 4.551 4.350 0.001 0.000 0.193 30 E C 1.172 177.780 176.600 0.014 0.000 1.057 30 E CA 0.643 57.053 56.400 0.017 0.000 0.866 30 E CB 0.001 29.711 29.700 0.018 0.000 0.916 30 E HN 0.779 nan 8.360 nan 0.000 0.500 31 G N 1.026 109.834 108.800 0.013 0.000 2.176 31 G HA2 -0.267 3.693 3.960 0.001 0.000 0.232 31 G HA3 -0.267 3.693 3.960 0.001 0.000 0.232 31 G C 0.506 175.412 174.900 0.011 0.000 0.986 31 G CA 0.054 45.160 45.100 0.011 0.000 0.643 31 G HN 0.466 nan 8.290 nan 0.000 0.522 32 A N 0.290 123.118 122.820 0.012 0.000 2.440 32 A HA 0.798 5.119 4.320 0.001 0.000 0.251 32 A C 0.992 178.584 177.584 0.013 0.000 1.089 32 A CA 0.965 53.009 52.037 0.012 0.000 0.779 32 A CB 0.480 19.488 19.000 0.013 0.000 1.022 32 A HN 2.088 nan 8.150 nan 0.000 0.492 33 A N 1.776 124.602 122.820 0.011 0.000 2.450 33 A HA 0.500 4.821 4.320 0.001 0.000 0.255 33 A C 0.295 177.891 177.584 0.021 0.000 1.096 33 A CA 0.247 52.293 52.037 0.014 0.000 0.778 33 A CB -0.283 18.720 19.000 0.006 0.000 1.031 33 A HN 2.056 nan 8.150 nan 0.000 0.494 34 V N 0.319 120.252 119.914 0.032 0.000 2.448 34 V HA 0.821 4.941 4.120 0.001 0.000 0.295 34 V C 0.151 176.284 176.094 0.065 0.000 1.025 34 V CA -0.429 61.894 62.300 0.039 0.000 0.859 34 V CB 0.998 32.840 31.823 0.032 0.000 0.988 34 V HN 1.422 nan 8.190 nan 0.000 0.431 35 A N 7.024 129.889 122.820 0.075 0.000 2.252 35 A HA 0.823 5.143 4.320 0.001 0.000 0.309 35 A C -0.043 177.581 177.584 0.066 0.000 1.285 35 A CA -0.632 51.478 52.037 0.121 0.000 0.900 35 A CB 0.129 19.226 19.000 0.162 0.000 1.157 35 A HN 1.455 nan 8.150 nan 0.000 0.536 36 I N 0.619 121.209 120.570 0.033 0.000 2.339 36 I HA 0.790 4.960 4.170 0.001 0.000 0.290 36 I C -0.005 176.109 176.117 -0.004 0.000 0.994 36 I CA -0.679 60.630 61.300 0.014 0.000 1.191 36 I CB 1.856 39.860 38.000 0.007 0.000 1.343 36 I HN 0.504 nan 8.210 nan 0.000 0.458 37 A N 5.020 127.845 122.820 0.008 0.000 2.343 37 A HA 1.015 5.335 4.320 0.001 0.000 0.316 37 A C -0.325 177.262 177.584 0.006 0.000 1.104 37 A CA -0.099 51.941 52.037 0.004 0.000 0.768 37 A CB 1.467 20.478 19.000 0.018 0.000 1.213 37 A HN 1.374 nan 8.150 nan 0.000 0.456 38 A N 1.697 124.516 122.820 -0.001 0.000 2.438 38 A HA 0.663 4.983 4.320 0.001 0.000 0.301 38 A C 0.139 177.721 177.584 -0.004 0.000 1.101 38 A CA -0.509 51.529 52.037 0.001 0.000 0.621 38 A CB 0.261 19.264 19.000 0.004 0.000 1.350 38 A HN 0.703 nan 8.150 nan 0.000 0.496 39 R N -0.537 119.961 120.500 -0.003 0.000 2.223 39 R HA 0.130 4.470 4.340 0.001 0.000 0.198 39 R C 0.180 176.479 176.300 -0.002 0.000 0.984 39 R CA 0.510 56.608 56.100 -0.004 0.000 1.018 39 R CB 0.079 30.376 30.300 -0.005 0.000 0.945 39 R HN 0.515 nan 8.270 nan 0.000 0.479 40 R N 1.799 122.300 120.500 0.002 0.000 2.593 40 R HA 0.051 4.391 4.340 0.001 0.000 0.282 40 R C 1.314 177.614 176.300 -0.000 0.000 1.300 40 R CA -0.210 55.893 56.100 0.006 0.000 1.221 40 R CB 0.787 31.096 30.300 0.015 0.000 1.157 40 R HN 0.082 nan 8.270 nan 0.000 0.555 41 V N -0.019 119.891 119.914 -0.006 0.000 2.469 41 V HA -0.283 3.838 4.120 0.001 0.000 0.251 41 V C 2.302 178.390 176.094 -0.010 0.000 1.064 41 V CA 1.880 64.172 62.300 -0.013 0.000 1.066 41 V CB -0.450 31.362 31.823 -0.018 0.000 0.667 41 V HN 0.669 nan 8.190 nan 0.000 0.461 42 E N 1.894 122.092 120.200 -0.004 0.000 2.077 42 E HA -0.295 4.056 4.350 0.001 0.000 0.193 42 E C 2.044 178.645 176.600 0.001 0.000 0.989 42 E CA 1.960 58.359 56.400 -0.001 0.000 0.800 42 E CB -0.469 29.232 29.700 0.002 0.000 0.746 42 E HN 0.678 nan 8.360 nan 0.000 0.452 43 K N 0.362 120.765 120.400 0.004 0.000 2.103 43 K HA 0.050 4.371 4.320 0.001 0.000 0.204 43 K C 2.534 179.136 176.600 0.003 0.000 1.052 43 K CA 0.903 57.194 56.287 0.007 0.000 0.945 43 K CB -0.096 32.412 32.500 0.013 0.000 0.722 43 K HN 0.143 nan 8.250 nan 0.000 0.443 44 L N 0.552 121.774 121.223 -0.002 0.000 2.046 44 L HA -0.191 4.149 4.340 0.001 0.000 0.208 44 L C 2.513 179.376 176.870 -0.012 0.000 1.077 44 L CA 1.338 56.173 54.840 -0.009 0.000 0.747 44 L CB -0.330 41.718 42.059 -0.019 0.000 0.896 44 L HN 0.138 nan 8.230 nan 0.000 0.432 45 R N -0.283 120.209 120.500 -0.013 0.000 2.081 45 R HA -0.130 4.211 4.340 0.001 0.000 0.235 45 R C 2.432 178.728 176.300 -0.005 0.000 1.131 45 R CA 1.322 57.414 56.100 -0.012 0.000 0.960 45 R CB -0.467 29.826 30.300 -0.012 0.000 0.856 45 R HN 0.358 nan 8.270 nan 0.000 0.436 46 A N 1.016 123.835 122.820 -0.002 0.000 1.902 46 A HA -0.148 4.173 4.320 0.001 0.000 0.217 46 A C 2.050 179.636 177.584 0.004 0.000 1.181 46 A CA 1.013 53.051 52.037 0.002 0.000 0.623 46 A CB -0.411 18.592 19.000 0.004 0.000 0.818 46 A HN 0.229 nan 8.150 nan 0.000 0.443 47 L N 0.042 121.268 121.223 0.004 0.000 2.027 47 L HA 0.019 4.360 4.340 0.001 0.000 0.206 47 L C 2.434 179.307 176.870 0.006 0.000 1.074 47 L CA 2.308 57.151 54.840 0.007 0.000 0.745 47 L CB -1.085 40.979 42.059 0.008 0.000 0.898 47 L HN 0.298 nan 8.230 nan 0.000 0.433 48 G N -1.129 107.672 108.800 0.002 0.000 2.440 48 G HA2 -0.287 3.674 3.960 0.001 0.000 0.218 48 G HA3 -0.287 3.674 3.960 0.001 0.000 0.218 48 G C 1.291 176.193 174.900 0.004 0.000 1.154 48 G CA 0.878 45.979 45.100 0.001 0.000 0.767 48 G HN 0.416 nan 8.290 nan 0.000 0.552 49 D N 0.682 121.083 120.400 0.002 0.000 2.116 49 D HA -0.092 4.548 4.640 0.001 0.000 0.193 49 D C 2.438 178.741 176.300 0.006 0.000 0.998 49 D CA 1.115 55.117 54.000 0.004 0.000 0.836 49 D CB -0.260 40.541 40.800 0.003 0.000 0.951 49 D HN 0.474 nan 8.370 nan 0.000 0.449 50 E N 0.129 120.333 120.200 0.007 0.000 2.051 50 E HA -0.113 4.237 4.350 0.001 0.000 0.192 50 E C 2.453 179.059 176.600 0.009 0.000 0.991 50 E CA 0.491 56.895 56.400 0.008 0.000 0.799 50 E CB -0.095 29.610 29.700 0.009 0.000 0.748 50 E HN 0.267 nan 8.360 nan 0.000 0.449 51 L N 0.598 121.827 121.223 0.010 0.000 2.056 51 L HA -0.154 4.186 4.340 0.001 0.000 0.207 51 L C 2.568 179.445 176.870 0.012 0.000 1.078 51 L CA 1.207 56.054 54.840 0.012 0.000 0.749 51 L CB -0.631 41.436 42.059 0.014 0.000 0.901 51 L HN 0.172 nan 8.230 nan 0.000 0.433 52 T N 0.006 114.567 114.554 0.012 0.000 2.788 52 T HA -0.129 4.221 4.350 0.001 0.000 0.268 52 T C 2.028 176.734 174.700 0.010 0.000 1.044 52 T CA 1.180 63.287 62.100 0.012 0.000 1.139 52 T CB -0.188 68.687 68.868 0.012 0.000 0.867 52 T HN 0.437 nan 8.240 nan 0.000 0.454 53 A N 1.463 124.288 122.820 0.009 0.000 1.933 53 A HA 0.175 4.495 4.320 0.001 0.000 0.218 53 A C 2.510 180.099 177.584 0.008 0.000 1.175 53 A CA 1.645 53.687 52.037 0.008 0.000 0.628 53 A CB -0.876 18.128 19.000 0.007 0.000 0.814 53 A HN 0.510 nan 8.150 nan 0.000 0.444 54 A N -2.182 120.643 122.820 0.009 0.000 2.206 54 A HA 0.400 4.720 4.320 0.001 0.000 0.211 54 A C 1.743 179.333 177.584 0.010 0.000 1.158 54 A CA 1.350 53.393 52.037 0.009 0.000 0.761 54 A CB -0.709 18.297 19.000 0.010 0.000 0.801 54 A HN 1.859 nan 8.150 nan 0.000 0.473 55 G N -2.614 106.192 108.800 0.010 0.000 2.184 55 G HA2 0.182 4.143 3.960 0.001 0.000 0.206 55 G HA3 0.182 4.143 3.960 0.001 0.000 0.206 55 G C 0.338 175.244 174.900 0.011 0.000 0.995 55 G CA 0.089 45.195 45.100 0.010 0.000 0.651 55 G HN 1.444 nan 8.290 nan 0.000 0.511 56 A N 0.164 122.992 122.820 0.013 0.000 2.322 56 A HA 0.692 5.013 4.320 0.001 0.000 0.269 56 A C 0.480 178.074 177.584 0.017 0.000 1.094 56 A CA 0.036 52.082 52.037 0.015 0.000 0.807 56 A CB 0.623 19.633 19.000 0.017 0.000 1.047 56 A HN 0.326 nan 8.150 nan 0.000 0.487 57 K N 1.231 121.642 120.400 0.018 0.000 2.258 57 K HA 0.513 4.833 4.320 0.001 0.000 0.284 57 K C -1.307 175.314 176.600 0.036 0.000 1.051 57 K CA -0.175 56.126 56.287 0.024 0.000 0.923 57 K CB 0.799 33.310 32.500 0.019 0.000 1.046 57 K HN 0.447 nan 8.250 nan 0.000 0.474 58 V N 3.560 123.501 119.914 0.045 0.000 2.604 58 V HA 0.212 4.333 4.120 0.001 0.000 0.305 58 V C -0.981 175.173 176.094 0.100 0.000 1.043 58 V CA -0.933 61.401 62.300 0.057 0.000 0.888 58 V CB 1.457 33.298 31.823 0.030 0.000 0.995 58 V HN 0.772 nan 8.190 nan 0.000 0.429 59 H N 2.912 121.980 119.070 -0.003 0.000 2.646 59 H HA 0.668 5.224 4.556 0.001 0.000 0.328 59 H C -1.099 174.227 175.328 -0.003 0.000 0.998 59 H CA -0.413 55.632 56.048 -0.005 0.000 1.225 59 H CB 1.675 31.431 29.762 -0.011 0.000 1.457 59 H HN 0.419 nan 8.280 nan 0.000 0.505 60 V N 7.291 126.980 119.914 -0.376 0.000 2.465 60 V HA 0.225 4.346 4.120 0.001 0.000 0.279 60 V C -0.071 175.792 176.094 -0.385 0.000 1.045 60 V CA -0.523 61.612 62.300 -0.274 0.000 0.938 60 V CB 0.993 32.724 31.823 -0.152 0.000 0.986 60 V HN 0.668 nan 8.190 nan 0.000 0.467 61 L N 4.548 125.646 121.223 -0.209 0.000 2.342 61 L HA 0.474 4.815 4.340 0.001 0.000 0.276 61 L C 0.149 176.978 176.870 -0.069 0.000 0.997 61 L CA -0.266 54.492 54.840 -0.137 0.000 0.838 61 L CB 1.706 43.734 42.059 -0.051 0.000 1.224 61 L HN 0.653 nan 8.230 nan 0.000 0.416 62 E N 4.225 124.389 120.200 -0.060 0.000 2.217 62 E HA 0.394 4.744 4.350 0.001 0.000 0.279 62 E C -1.314 175.275 176.600 -0.017 0.000 1.068 62 E CA -0.399 55.982 56.400 -0.032 0.000 0.882 62 E CB 0.833 30.515 29.700 -0.029 0.000 1.039 62 E HN 0.378 nan 8.360 nan 0.000 0.418 63 L N 4.901 126.119 121.223 -0.008 0.000 2.526 63 L HA 0.352 4.692 4.340 0.001 0.000 0.263 63 L C -1.778 175.096 176.870 0.006 0.000 0.943 63 L CA -0.633 54.209 54.840 0.002 0.000 0.859 63 L CB 2.126 44.191 42.059 0.010 0.000 1.313 63 L HN 0.442 nan 8.230 nan 0.000 0.406 64 D N 3.179 123.585 120.400 0.010 0.000 2.373 64 D HA 0.225 4.865 4.640 0.001 0.000 0.227 64 D C 1.181 177.500 176.300 0.031 0.000 1.091 64 D CA -0.085 53.924 54.000 0.015 0.000 0.840 64 D CB 1.839 42.647 40.800 0.013 0.000 1.060 64 D HN 0.489 nan 8.370 nan 0.000 0.502 65 V N 2.939 122.876 119.914 0.039 0.000 2.720 65 V HA -0.120 4.000 4.120 0.001 0.000 0.256 65 V C 1.972 178.137 176.094 0.118 0.000 1.082 65 V CA 1.685 64.026 62.300 0.068 0.000 1.101 65 V CB -1.057 30.799 31.823 0.055 0.000 0.693 65 V HN 0.508 nan 8.190 nan 0.000 0.479 66 A N 0.663 123.540 122.820 0.094 0.000 2.121 66 A HA -0.102 4.218 4.320 0.001 0.000 0.218 66 A C 1.385 179.062 177.584 0.156 0.000 1.154 66 A CA 1.220 53.337 52.037 0.132 0.000 0.679 66 A CB -0.633 18.411 19.000 0.074 0.000 0.795 66 A HN 0.654 nan 8.150 nan 0.000 0.458 67 D N -0.227 120.218 120.400 0.075 0.000 2.422 67 D HA 0.126 4.767 4.640 0.001 0.000 0.227 67 D C 1.207 177.455 176.300 -0.087 0.000 1.190 67 D CA -0.358 53.646 54.000 0.006 0.000 0.905 67 D CB 0.185 40.984 40.800 -0.001 0.000 1.034 67 D HN 0.289 nan 8.370 nan 0.000 0.507 68 R N 2.532 122.877 120.500 -0.260 0.000 2.113 68 R HA -0.209 4.132 4.340 0.001 0.000 0.244 68 R C 1.428 177.540 176.300 -0.313 0.000 1.142 68 R CA 1.472 57.196 56.100 -0.627 0.000 0.953 68 R CB 0.163 29.930 30.300 -0.888 0.000 0.860 68 R HN 0.513 nan 8.270 nan 0.000 0.438 69 Q N -0.822 118.867 119.800 -0.185 0.000 2.119 69 Q HA -0.076 4.265 4.340 0.001 0.000 0.201 69 Q C 2.048 178.007 176.000 -0.068 0.000 0.972 69 Q CA 1.590 57.329 55.803 -0.106 0.000 0.847 69 Q CB -0.375 28.321 28.738 -0.070 0.000 0.903 69 Q HN 0.577 nan 8.270 nan 0.000 0.433 70 G N 0.155 108.921 108.800 -0.057 0.000 2.422 70 G HA2 -0.181 3.779 3.960 0.001 0.000 0.218 70 G HA3 -0.181 3.779 3.960 0.001 0.000 0.218 70 G C 1.626 176.516 174.900 -0.016 0.000 1.146 70 G CA 0.891 45.976 45.100 -0.026 0.000 0.769 70 G HN 0.256 nan 8.290 nan 0.000 0.547 71 V N 1.132 121.027 119.914 -0.032 0.000 2.307 71 V HA -0.146 3.974 4.120 0.001 0.000 0.245 71 V C 2.618 178.714 176.094 0.003 0.000 1.045 71 V CA 2.149 64.448 62.300 -0.003 0.000 1.024 71 V CB -0.394 31.433 31.823 0.007 0.000 0.651 71 V HN 0.257 nan 8.190 nan 0.000 0.449 72 D N 0.498 120.882 120.400 -0.026 0.000 2.106 72 D HA -0.178 4.462 4.640 0.001 0.000 0.191 72 D C 2.222 178.531 176.300 0.016 0.000 0.997 72 D CA 1.873 55.872 54.000 -0.001 0.000 0.834 72 D CB -0.401 40.384 40.800 -0.025 0.000 0.956 72 D HN 0.431 nan 8.370 nan 0.000 0.448 73 A N 0.850 123.672 122.820 0.004 0.000 1.933 73 A HA -0.066 4.254 4.320 0.001 0.000 0.218 73 A C 2.295 179.897 177.584 0.029 0.000 1.175 73 A CA 2.311 54.356 52.037 0.014 0.000 0.628 73 A CB -0.629 18.375 19.000 0.007 0.000 0.814 73 A HN 0.253 nan 8.150 nan 0.000 0.444 74 A N -0.636 122.204 122.820 0.033 0.000 1.930 74 A HA 0.047 4.367 4.320 0.001 0.000 0.217 74 A C 2.204 179.816 177.584 0.047 0.000 1.175 74 A CA 1.636 53.707 52.037 0.056 0.000 0.627 74 A CB -0.825 18.204 19.000 0.049 0.000 0.815 74 A HN 0.368 nan 8.150 nan 0.000 0.443 75 V N -0.082 119.848 119.914 0.027 0.000 2.343 75 V HA -0.246 3.874 4.120 0.001 0.000 0.247 75 V C 3.047 179.091 176.094 -0.082 0.000 1.051 75 V CA 1.922 64.215 62.300 -0.013 0.000 1.036 75 V CB -1.218 30.638 31.823 0.054 0.000 0.654 75 V HN 0.609 nan 8.190 nan 0.000 0.451 76 A N 0.701 123.508 122.820 -0.022 0.000 1.877 76 A HA -0.213 4.108 4.320 0.001 0.000 0.216 76 A C 2.567 180.111 177.584 -0.067 0.000 1.186 76 A CA 2.356 54.373 52.037 -0.033 0.000 0.620 76 A CB -0.804 18.203 19.000 0.013 0.000 0.822 76 A HN 0.677 nan 8.150 nan 0.000 0.443 77 S N -1.225 114.458 115.700 -0.029 0.000 2.406 77 S HA -0.116 4.355 4.470 0.001 0.000 0.228 77 S C 1.833 176.279 174.600 -0.257 0.000 1.020 77 S CA 1.807 59.985 58.200 -0.036 0.000 0.965 77 S CB -1.015 62.256 63.200 0.118 0.000 0.798 77 S HN 0.463 nan 8.310 nan 0.000 0.488 78 T N 2.378 116.785 114.554 -0.246 0.000 2.708 78 T HA -0.035 4.316 4.350 0.001 0.000 0.266 78 T C 1.871 176.386 174.700 -0.308 0.000 1.037 78 T CA 1.586 63.460 62.100 -0.376 0.000 1.146 78 T CB -0.605 68.182 68.868 -0.134 0.000 0.865 78 T HN 0.299 nan 8.240 nan 0.000 0.435 79 V N 1.350 121.108 119.914 -0.259 0.000 2.343 79 V HA -0.147 3.974 4.120 0.001 0.000 0.247 79 V C 2.592 178.591 176.094 -0.159 0.000 1.051 79 V CA 1.911 64.073 62.300 -0.231 0.000 1.036 79 V CB -0.600 31.028 31.823 -0.325 0.000 0.654 79 V HN 0.413 nan 8.190 nan 0.000 0.451 80 E N 0.909 121.021 120.200 -0.146 0.000 2.051 80 E HA -0.191 4.159 4.350 0.001 0.000 0.192 80 E C 2.098 178.622 176.600 -0.128 0.000 0.991 80 E CA 1.937 58.274 56.400 -0.105 0.000 0.799 80 E CB -0.490 29.165 29.700 -0.075 0.000 0.748 80 E HN 0.507 nan 8.360 nan 0.000 0.449 81 A N -0.258 122.429 122.820 -0.222 0.000 1.898 81 A HA 0.044 4.364 4.320 0.001 0.000 0.214 81 A C 2.089 179.575 177.584 -0.164 0.000 1.183 81 A CA 1.210 53.113 52.037 -0.224 0.000 0.622 81 A CB -0.192 18.536 19.000 -0.453 0.000 0.824 81 A HN 0.318 nan 8.150 nan 0.000 0.444 82 L N -2.394 118.718 121.223 -0.185 0.000 2.731 82 L HA 0.330 4.670 4.340 0.001 0.000 0.240 82 L C 1.619 178.441 176.870 -0.080 0.000 1.120 82 L CA 0.533 55.306 54.840 -0.111 0.000 0.913 82 L CB 0.508 42.504 42.059 -0.104 0.000 1.213 82 L HN 0.565 nan 8.230 nan 0.000 0.515 83 G N -0.205 108.543 108.800 -0.088 0.000 2.254 83 G HA2 -0.122 3.838 3.960 0.001 0.000 0.225 83 G HA3 -0.122 3.838 3.960 0.001 0.000 0.225 83 G C 0.442 175.308 174.900 -0.056 0.000 1.003 83 G CA -0.202 44.863 45.100 -0.058 0.000 0.622 83 G HN 0.686 nan 8.290 nan 0.000 0.507 84 G N -1.343 107.409 108.800 -0.078 0.000 2.335 84 G HA2 0.598 4.558 3.960 0.001 0.000 0.291 84 G HA3 0.598 4.558 3.960 0.001 0.000 0.291 84 G C -2.288 172.561 174.900 -0.084 0.000 1.261 84 G CA 0.175 45.233 45.100 -0.071 0.000 0.871 84 G HN 1.463 nan 8.290 nan 0.000 0.491 85 L N 0.543 121.746 121.223 -0.033 0.000 2.516 85 L HA 0.659 5.000 4.340 0.001 0.000 0.267 85 L C -0.423 176.465 176.870 0.030 0.000 0.957 85 L CA -0.502 54.332 54.840 -0.011 0.000 0.860 85 L CB 1.902 43.948 42.059 -0.020 0.000 1.265 85 L HN 0.653 nan 8.230 nan 0.000 0.403 86 D N 4.230 124.643 120.400 0.021 0.000 2.514 86 D HA 0.315 4.955 4.640 0.001 0.000 0.249 86 D C -0.013 176.306 176.300 0.032 0.000 1.036 86 D CA 0.892 54.908 54.000 0.026 0.000 0.911 86 D CB 1.374 42.183 40.800 0.015 0.000 1.145 86 D HN 0.322 nan 8.370 nan 0.000 0.495 87 I N 1.670 122.257 120.570 0.027 0.000 2.499 87 I HA 0.234 4.405 4.170 0.001 0.000 0.288 87 I C -1.274 174.862 176.117 0.033 0.000 1.048 87 I CA -0.894 60.423 61.300 0.028 0.000 1.062 87 I CB 2.917 40.929 38.000 0.021 0.000 1.238 87 I HN -0.183 nan 8.210 nan 0.000 0.426 88 L N 8.098 129.345 121.223 0.039 0.000 2.313 88 L HA 0.643 4.983 4.340 0.001 0.000 0.283 88 L C -1.033 175.862 176.870 0.040 0.000 1.013 88 L CA -0.379 54.488 54.840 0.045 0.000 0.816 88 L CB 1.735 43.830 42.059 0.060 0.000 1.236 88 L HN 0.339 nan 8.230 nan 0.000 0.419 89 V N 5.219 125.156 119.914 0.038 0.000 2.293 89 V HA 0.397 4.517 4.120 0.001 0.000 0.275 89 V C -0.116 176.000 176.094 0.038 0.000 1.021 89 V CA -0.668 61.653 62.300 0.034 0.000 0.815 89 V CB 0.921 32.762 31.823 0.029 0.000 1.025 89 V HN 0.703 nan 8.190 nan 0.000 0.448 90 N N 4.685 123.409 118.700 0.040 0.000 2.739 90 N HA 0.080 4.820 4.740 0.001 0.000 0.266 90 N C 0.942 176.469 175.510 0.028 0.000 1.168 90 N CA 0.135 53.208 53.050 0.039 0.000 1.055 90 N CB 0.380 38.895 38.487 0.048 0.000 1.393 90 N HN 0.723 nan 8.380 nan 0.000 0.514 91 N N 0.863 119.580 118.700 0.029 0.000 2.348 91 N HA -0.001 4.739 4.740 0.001 0.000 0.183 91 N C 0.036 175.564 175.510 0.030 0.000 1.094 91 N CA -0.179 52.888 53.050 0.029 0.000 0.885 91 N CB 0.465 38.971 38.487 0.032 0.000 1.065 91 N HN 0.255 nan 8.380 nan 0.000 0.472 92 A N 0.659 123.494 122.820 0.025 0.000 2.566 92 A HA 0.476 4.797 4.320 0.001 0.000 0.245 92 A C 0.539 178.136 177.584 0.021 0.000 1.056 92 A CA 0.753 52.801 52.037 0.020 0.000 0.757 92 A CB -0.386 18.624 19.000 0.016 0.000 0.979 92 A HN 0.443 nan 8.150 nan 0.000 0.508 93 G N 0.888 109.703 108.800 0.025 0.000 2.632 93 G HA2 0.595 4.556 3.960 0.001 0.000 0.292 93 G HA3 0.595 4.556 3.960 0.001 0.000 0.292 93 G C -0.799 174.123 174.900 0.036 0.000 1.465 93 G CA -0.106 45.022 45.100 0.047 0.000 0.824 93 G HN 1.465 nan 8.290 nan 0.000 0.509 97 L N 2.104 123.270 121.223 -0.095 0.000 2.399 97 L HA 0.979 5.319 4.340 0.001 0.000 0.266 97 L C 0.794 177.658 176.870 -0.011 0.000 1.114 97 L CA -0.318 54.477 54.840 -0.076 0.000 0.804 97 L CB 1.572 43.529 42.059 -0.169 0.000 1.146 97 L HN 0.701 nan 8.230 nan 0.000 0.451 98 G N 1.458 110.231 108.800 -0.045 0.000 2.340 98 G HA2 0.260 4.220 3.960 0.001 0.000 0.300 98 G HA3 0.260 4.220 3.960 0.001 0.000 0.300 98 G C -3.233 171.573 174.900 -0.157 0.000 1.488 98 G CA -0.786 44.185 45.100 -0.214 0.000 0.878 98 G HN 0.304 nan 8.290 nan 0.000 0.618 99 P HA 0.257 nan 4.420 nan 0.000 0.272 99 P C 1.168 178.480 177.300 0.021 0.000 1.240 99 P CA -0.276 62.769 63.100 -0.093 0.000 0.791 99 P CB 1.242 32.878 31.700 -0.107 0.000 0.978 100 V N -0.029 119.931 119.914 0.077 0.000 2.379 100 V HA -0.141 3.979 4.120 0.001 0.000 0.245 100 V C 1.445 177.654 176.094 0.192 0.000 1.044 100 V CA 1.395 63.817 62.300 0.203 0.000 1.036 100 V CB -1.086 30.806 31.823 0.114 0.000 0.664 100 V HN 0.656 nan 8.190 nan 0.000 0.453 101 E N 1.110 121.364 120.200 0.091 0.000 2.465 101 E HA -0.099 4.252 4.350 0.001 0.000 0.260 101 E C 0.203 176.827 176.600 0.041 0.000 0.980 101 E CA 0.366 56.803 56.400 0.062 0.000 0.927 101 E CB 0.063 29.786 29.700 0.039 0.000 0.934 101 E HN 0.748 nan 8.360 nan 0.000 0.459 102 D N 1.189 121.604 120.400 0.024 0.000 2.739 102 D HA -0.277 4.363 4.640 0.001 0.000 0.230 102 D C -0.343 175.930 176.300 -0.045 0.000 1.167 102 D CA 0.725 54.718 54.000 -0.012 0.000 0.640 102 D CB -1.479 39.323 40.800 0.003 0.000 1.045 102 D HN 0.519 nan 8.370 nan 0.000 0.421 103 A N 0.291 123.066 122.820 -0.074 0.000 2.483 103 A HA 0.281 4.601 4.320 0.001 0.000 0.238 103 A C 0.577 177.965 177.584 -0.327 0.000 1.070 103 A CA -0.060 51.885 52.037 -0.153 0.000 0.770 103 A CB 0.504 19.465 19.000 -0.066 0.000 1.008 103 A HN 0.262 nan 8.150 nan 0.000 0.497 104 D N 1.880 122.131 120.400 -0.247 0.000 2.342 104 D HA 0.085 4.726 4.640 0.001 0.000 0.260 104 D C 1.665 177.666 176.300 -0.498 0.000 1.278 104 D CA 0.752 54.592 54.000 -0.266 0.000 0.910 104 D CB 0.504 41.231 40.800 -0.121 0.000 1.079 104 D HN 0.567 nan 8.370 nan 0.000 0.496 105 T N -0.251 113.926 114.554 -0.628 0.000 3.051 105 T HA -0.192 4.158 4.350 0.001 0.000 0.269 105 T C 1.750 176.249 174.700 -0.335 0.000 1.127 105 T CA 1.444 63.043 62.100 -0.835 0.000 1.107 105 T CB -0.494 67.996 68.868 -0.630 0.000 0.898 105 T HN 0.429 nan 8.240 nan 0.000 0.517 106 T N -0.460 113.974 114.554 -0.200 0.000 2.915 106 T HA -0.108 4.242 4.350 0.001 0.000 0.269 106 T C 1.477 176.171 174.700 -0.010 0.000 1.071 106 T CA 1.090 63.149 62.100 -0.068 0.000 1.132 106 T CB -0.549 68.288 68.868 -0.051 0.000 0.878 106 T HN 0.220 nan 8.240 nan 0.000 0.479 107 D N 0.688 121.069 120.400 -0.031 0.000 2.116 107 D HA -0.085 4.555 4.640 0.001 0.000 0.193 107 D C 1.623 178.071 176.300 0.248 0.000 0.998 107 D CA 1.128 55.184 54.000 0.092 0.000 0.836 107 D CB -0.334 40.538 40.800 0.120 0.000 0.951 107 D HN 0.527 nan 8.370 nan 0.000 0.449 108 W N 0.986 122.288 121.300 0.005 0.000 2.379 108 W HA -0.058 4.603 4.660 0.001 0.000 0.307 108 W C 2.650 179.168 176.519 -0.002 0.000 1.200 108 W CA 1.695 59.042 57.345 0.003 0.000 1.297 108 W CB -1.714 27.745 29.460 -0.002 0.000 1.140 108 W HN 0.085 nan 8.180 nan 0.000 0.507 109 T N -0.901 113.794 114.554 0.236 0.000 2.788 109 T HA -0.068 4.282 4.350 0.001 0.000 0.268 109 T C 1.329 176.079 174.700 0.084 0.000 1.044 109 T CA 0.588 62.764 62.100 0.126 0.000 1.139 109 T CB -0.303 68.613 68.868 0.080 0.000 0.867 109 T HN -0.074 nan 8.240 nan 0.000 0.454 113 D N 1.229 121.621 120.400 -0.013 0.000 2.117 113 D HA -0.111 4.529 4.640 0.001 0.000 0.197 113 D C 1.858 178.144 176.300 -0.024 0.000 0.987 113 D CA 2.211 56.201 54.000 -0.017 0.000 0.829 113 D CB -0.059 40.753 40.800 0.019 0.000 0.961 113 D HN 0.336 nan 8.370 nan 0.000 0.460 114 T N 0.666 115.214 114.554 -0.011 0.000 2.837 114 T HA -0.025 4.326 4.350 0.001 0.000 0.248 114 T C 1.594 176.278 174.700 -0.026 0.000 1.033 114 T CA 0.600 62.695 62.100 -0.008 0.000 1.150 114 T CB -0.149 68.720 68.868 0.002 0.000 0.865 114 T HN 0.001 nan 8.240 nan 0.000 0.425 115 N N 0.912 119.598 118.700 -0.024 0.000 2.270 115 N HA 0.074 4.815 4.740 0.001 0.000 0.181 115 N C 1.417 176.868 175.510 -0.098 0.000 1.016 115 N CA 0.572 53.599 53.050 -0.039 0.000 0.870 115 N CB -0.178 38.298 38.487 -0.019 0.000 0.979 115 N HN 0.175 nan 8.380 nan 0.000 0.431 116 L N -0.742 120.402 121.223 -0.131 0.000 2.783 116 L HA 0.290 4.631 4.340 0.001 0.000 0.174 116 L C 1.724 178.409 176.870 -0.308 0.000 1.235 116 L CA 0.440 55.153 54.840 -0.213 0.000 0.862 116 L CB -1.031 40.918 42.059 -0.184 0.000 1.249 116 L HN -0.058 nan 8.230 nan 0.000 0.518 117 L N 0.117 121.162 121.223 -0.296 0.000 2.046 117 L HA -0.006 4.335 4.340 0.001 0.000 0.208 117 L C 2.189 178.780 176.870 -0.465 0.000 1.077 117 L CA 2.209 56.772 54.840 -0.462 0.000 0.747 117 L CB -1.177 40.642 42.059 -0.400 0.000 0.896 117 L HN 0.394 nan 8.230 nan 0.000 0.432 118 G N -0.534 108.151 108.800 -0.192 0.000 2.421 118 G HA2 -0.214 3.746 3.960 0.001 0.000 0.216 118 G HA3 -0.214 3.746 3.960 0.001 0.000 0.216 118 G C 1.036 175.922 174.900 -0.023 0.000 1.171 118 G CA 0.738 45.827 45.100 -0.018 0.000 0.775 118 G HN 0.357 nan 8.290 nan 0.000 0.543 124 R N 1.636 122.257 120.500 0.202 0.000 2.081 124 R HA 0.065 4.405 4.340 0.001 0.000 0.235 124 R C 2.419 178.790 176.300 0.118 0.000 1.131 124 R CA 1.875 58.071 56.100 0.160 0.000 0.960 124 R CB -0.413 29.999 30.300 0.187 0.000 0.856 124 R HN 0.376 nan 8.270 nan 0.000 0.436 125 A N 0.460 123.357 122.820 0.128 0.000 1.930 125 A HA -0.042 4.278 4.320 0.001 0.000 0.217 125 A C 2.243 179.917 177.584 0.150 0.000 1.175 125 A CA 1.562 53.667 52.037 0.113 0.000 0.627 125 A CB -0.523 18.538 19.000 0.102 0.000 0.815 125 A HN 0.525 nan 8.150 nan 0.000 0.443 126 A N -0.970 121.943 122.820 0.154 0.000 2.067 126 A HA 0.171 4.492 4.320 0.001 0.000 0.217 126 A C 1.961 179.632 177.584 0.144 0.000 1.156 126 A CA 1.208 53.361 52.037 0.193 0.000 0.683 126 A CB -0.452 18.630 19.000 0.137 0.000 0.808 126 A HN 0.485 nan 8.150 nan 0.000 0.455 127 L N 0.625 121.897 121.223 0.081 0.000 2.043 127 L HA -0.098 4.243 4.340 0.001 0.000 0.212 127 L C -0.754 176.103 176.870 -0.021 0.000 1.075 127 L CA 2.442 57.303 54.840 0.036 0.000 0.752 127 L CB -1.189 40.888 42.059 0.031 0.000 0.891 127 L HN 0.173 nan 8.230 nan 0.000 0.432 128 P HA -0.161 nan 4.420 nan 0.000 0.215 128 P C 1.323 178.485 177.300 -0.230 0.000 1.153 128 P CA 1.670 64.641 63.100 -0.215 0.000 0.853 128 P CB -0.256 31.225 31.700 -0.365 0.000 0.788 129 H N -1.099 117.978 119.070 0.012 0.000 2.395 129 H HA 0.054 4.610 4.556 0.000 0.000 0.299 129 H C 2.092 177.425 175.328 0.009 0.000 1.070 129 H CA 0.937 56.989 56.048 0.007 0.000 1.356 129 H CB -0.826 28.939 29.762 0.006 0.000 1.401 129 H HN 0.158 nan 8.280 nan 0.000 0.524 130 L N 0.414 121.706 121.223 0.115 0.000 2.093 130 L HA -0.140 4.201 4.340 0.001 0.000 0.208 130 L C 2.647 179.544 176.870 0.045 0.000 1.085 130 L CA 0.571 55.456 54.840 0.075 0.000 0.755 130 L CB -0.436 41.664 42.059 0.069 0.000 0.904 130 L HN 0.141 nan 8.230 nan 0.000 0.435 131 L N -0.493 120.743 121.223 0.021 0.000 2.012 131 L HA -0.254 4.087 4.340 0.001 0.000 0.210 131 L C 2.861 179.734 176.870 0.005 0.000 1.073 131 L CA 1.455 56.299 54.840 0.008 0.000 0.748 131 L CB -0.421 41.630 42.059 -0.013 0.000 0.891 131 L HN 0.200 nan 8.230 nan 0.000 0.431 132 R N -0.553 119.949 120.500 0.003 0.000 2.115 132 R HA -0.115 4.225 4.340 0.001 0.000 0.230 132 R C 2.269 178.571 176.300 0.004 0.000 1.111 132 R CA 1.561 57.663 56.100 0.004 0.000 0.976 132 R CB -0.117 30.190 30.300 0.012 0.000 0.870 132 R HN 0.439 nan 8.270 nan 0.000 0.445 133 S N -0.224 115.485 115.700 0.016 0.000 2.556 133 S HA 0.107 4.577 4.470 0.001 0.000 0.216 133 S C 0.227 174.814 174.600 -0.022 0.000 0.970 133 S CA -0.295 57.905 58.200 0.001 0.000 0.912 133 S CB 0.222 63.435 63.200 0.021 0.000 0.790 133 S HN 0.144 nan 8.310 nan 0.000 0.504 134 K N 1.318 121.711 120.400 -0.011 0.000 3.278 134 K HA -0.128 4.192 4.320 0.001 0.000 0.270 134 K C 0.637 177.286 176.600 0.081 0.000 0.955 134 K CA 0.244 56.536 56.287 0.009 0.000 0.723 134 K CB -2.010 30.374 32.500 -0.193 0.000 1.382 134 K HN 0.656 nan 8.250 nan 0.000 0.461 135 G N -0.019 108.826 108.800 0.075 0.000 2.525 135 G HA2 0.475 4.436 3.960 0.001 0.000 0.287 135 G HA3 0.475 4.436 3.960 0.001 0.000 0.287 135 G C -0.374 174.574 174.900 0.080 0.000 1.350 135 G CA -0.319 44.824 45.100 0.072 0.000 1.039 135 G HN 0.129 nan 8.290 nan 0.000 0.513 136 T N -0.801 113.785 114.554 0.054 0.000 2.861 136 T HA 0.443 4.794 4.350 0.001 0.000 0.287 136 T C -0.960 173.760 174.700 0.033 0.000 1.003 136 T CA -0.326 61.795 62.100 0.035 0.000 0.977 136 T CB 1.851 70.729 68.868 0.016 0.000 0.996 136 T HN 0.526 nan 8.240 nan 0.000 0.448 137 V N 4.411 124.344 119.914 0.032 0.000 2.384 137 V HA 0.640 4.760 4.120 0.001 0.000 0.287 137 V C -0.798 175.313 176.094 0.029 0.000 1.020 137 V CA -0.433 61.890 62.300 0.039 0.000 0.850 137 V CB 1.089 32.943 31.823 0.052 0.000 0.987 137 V HN 0.723 nan 8.190 nan 0.000 0.436 138 V N 8.109 128.038 119.914 0.025 0.000 2.350 138 V HA 0.496 4.617 4.120 0.001 0.000 0.276 138 V C 0.152 176.256 176.094 0.018 0.000 1.028 138 V CA -0.591 61.716 62.300 0.012 0.000 0.860 138 V CB 1.159 32.988 31.823 0.009 0.000 0.990 138 V HN 0.908 nan 8.190 nan 0.000 0.453 142 S N -0.600 115.008 115.700 -0.154 0.000 2.611 142 S HA 0.435 4.905 4.470 0.001 0.000 0.270 142 S C 0.323 174.823 174.600 -0.167 0.000 1.131 142 S CA 0.041 58.191 58.200 -0.083 0.000 0.826 142 S CB 0.585 63.754 63.200 -0.053 0.000 1.095 142 S HN 0.988 nan 8.310 nan 0.000 0.461 143 I N 2.615 123.173 120.570 -0.020 0.000 2.315 143 I HA -0.116 4.054 4.170 0.001 0.000 0.251 143 I C 2.066 178.133 176.117 -0.083 0.000 1.125 143 I CA 2.231 63.524 61.300 -0.011 0.000 1.392 143 I CB -0.367 37.811 38.000 0.296 0.000 1.065 143 I HN 0.757 nan 8.210 nan 0.000 0.424 144 A N 0.148 122.952 122.820 -0.027 0.000 2.172 144 A HA -0.018 4.302 4.320 0.001 0.000 0.216 144 A C 2.093 179.573 177.584 -0.174 0.000 1.154 144 A CA 1.225 53.249 52.037 -0.021 0.000 0.701 144 A CB -1.052 17.931 19.000 -0.029 0.000 0.789 144 A HN 0.556 nan 8.150 nan 0.000 0.465 145 G N -1.887 106.649 108.800 -0.440 0.000 3.042 145 G HA2 0.136 4.096 3.960 0.001 0.000 0.212 145 G HA3 0.136 4.096 3.960 0.001 0.000 0.212 145 G C 1.394 175.410 174.900 -1.473 0.000 1.166 145 G CA -0.015 44.564 45.100 -0.868 0.000 0.767 145 G HN 0.340 nan 8.290 nan 0.000 0.546 146 R N -1.006 118.940 120.500 -0.924 0.000 2.492 146 R HA 0.268 4.608 4.340 0.001 0.000 0.219 146 R C -0.391 175.854 176.300 -0.092 0.000 0.886 146 R CA 0.278 55.988 56.100 -0.650 0.000 1.003 146 R CB 0.996 30.846 30.300 -0.750 0.000 1.345 146 R HN 0.173 nan 8.270 nan 0.000 0.631 147 V N 2.646 122.604 119.914 0.072 0.000 2.686 147 V HA 0.365 4.485 4.120 0.001 0.000 0.306 147 V C -0.821 175.431 176.094 0.264 0.000 1.065 147 V CA -1.123 61.305 62.300 0.214 0.000 0.894 147 V CB 2.568 34.501 31.823 0.184 0.000 1.004 147 V HN 0.094 nan 8.190 nan 0.000 0.424 148 N N 3.002 121.826 118.700 0.207 0.000 2.419 148 N HA 0.612 5.353 4.740 0.001 0.000 0.277 148 N C -0.453 175.114 175.510 0.096 0.000 1.006 148 N CA -0.137 52.989 53.050 0.126 0.000 0.923 148 N CB 2.443 40.935 38.487 0.008 0.000 1.140 148 N HN 0.648 nan 8.380 nan 0.000 0.488 149 V N 0.225 120.201 119.914 0.104 0.000 3.046 149 V HA 0.599 4.719 4.120 0.001 0.000 0.316 149 V C 0.473 176.609 176.094 0.070 0.000 1.104 149 V CA -1.238 61.116 62.300 0.089 0.000 1.006 149 V CB 1.698 33.590 31.823 0.114 0.000 1.058 149 V HN 0.455 nan 8.190 nan 0.000 0.440 150 R N 1.871 122.405 120.500 0.058 0.000 2.679 150 R HA 0.251 4.592 4.340 0.001 0.000 0.268 150 R C 0.505 176.834 176.300 0.048 0.000 1.044 150 R CA 0.756 56.882 56.100 0.042 0.000 1.105 150 R CB -0.150 30.173 30.300 0.037 0.000 0.989 150 R HN 0.958 nan 8.270 nan 0.000 0.447 151 N N -0.447 118.268 118.700 0.026 0.000 2.850 151 N HA -0.202 4.539 4.740 0.001 0.000 0.249 151 N C -0.701 174.821 175.510 0.021 0.000 1.060 151 N CA 1.427 54.484 53.050 0.012 0.000 0.825 151 N CB -0.917 37.580 38.487 0.015 0.000 1.132 151 N HN 0.719 nan 8.380 nan 0.000 0.564 152 A N -1.255 121.592 122.820 0.045 0.000 2.594 152 A HA 0.743 5.063 4.320 0.001 0.000 0.292 152 A C 1.572 179.201 177.584 0.075 0.000 1.026 152 A CA 0.749 52.840 52.037 0.088 0.000 0.983 152 A CB 0.220 19.314 19.000 0.157 0.000 1.233 152 A HN 0.341 nan 8.150 nan 0.000 0.519 153 A N -0.247 122.573 122.820 -0.001 0.000 1.865 153 A HA -0.040 4.280 4.320 0.001 0.000 0.217 153 A C 1.932 179.437 177.584 -0.133 0.000 1.191 153 A CA 2.282 54.272 52.037 -0.079 0.000 0.623 153 A CB -0.641 18.286 19.000 -0.122 0.000 0.826 153 A HN 0.597 nan 8.150 nan 0.000 0.444 154 V N -1.650 118.157 119.914 -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 -0.052 0.000 1.046 154 V CA 1.732 63.881 62.300 -0.250 0.000 1.053 154 V CB -1.017 30.505 31.823 -0.502 0.000 0.679 154 V HN 0.667 nan 8.190 nan 0.000 0.458 155 Y N 1.463 121.716 120.300 -0.079 0.000 2.128 155 Y HA -0.314 4.236 4.550 0.001 0.000 0.284 155 Y C 2.616 178.513 175.900 -0.005 0.000 1.154 155 Y CA 2.097 60.176 58.100 -0.034 0.000 1.149 155 Y CB -0.397 38.049 38.460 -0.024 0.000 0.976 155 Y HN 0.300 nan 8.280 nan 0.000 0.505 156 Q N -0.376 119.419 119.800 -0.010 0.000 2.084 156 Q HA -0.164 4.176 4.340 0.001 0.000 0.202 156 Q C 2.544 178.565 176.000 0.035 0.000 0.978 156 Q CA 1.524 57.337 55.803 0.016 0.000 0.844 156 Q CB -0.462 28.334 28.738 0.096 0.000 0.898 156 Q HN 0.593 nan 8.270 nan 0.000 0.426 157 A N 0.953 123.729 122.820 -0.074 0.000 1.903 157 A HA -0.292 4.029 4.320 0.001 0.000 0.219 157 A C 2.348 179.894 177.584 -0.063 0.000 1.191 157 A CA 2.358 54.337 52.037 -0.097 0.000 0.638 157 A CB -1.414 17.485 19.000 -0.169 0.000 0.823 157 A HN 0.592 nan 8.150 nan 0.000 0.451 158 T N -2.620 111.871 114.554 -0.106 0.000 2.746 158 T HA -0.120 4.230 4.350 0.001 0.000 0.267 158 T C 1.815 176.435 174.700 -0.133 0.000 1.039 158 T CA 1.493 63.522 62.100 -0.119 0.000 1.142 158 T CB -0.196 68.603 68.868 -0.116 0.000 0.866 158 T HN 0.366 nan 8.240 nan 0.000 0.444 159 K N 0.318 120.602 120.400 -0.194 0.000 2.116 159 K HA 0.176 4.496 4.320 0.001 0.000 0.203 159 K C 1.975 178.483 176.600 -0.154 0.000 1.052 159 K CA 0.631 56.780 56.287 -0.230 0.000 0.952 159 K CB -0.679 31.585 32.500 -0.393 0.000 0.729 159 K HN 0.411 nan 8.250 nan 0.000 0.446 160 F N 1.372 121.218 119.950 -0.173 0.000 2.171 160 F HA -0.132 4.395 4.527 0.001 0.000 0.300 160 F C 2.460 178.209 175.800 -0.086 0.000 1.090 160 F CA 1.592 59.519 58.000 -0.122 0.000 1.293 160 F CB -0.841 38.094 39.000 -0.109 0.000 1.013 160 F HN 0.157 nan 8.300 nan 0.000 0.486 161 G N -0.385 108.466 108.800 0.085 0.000 2.421 161 G HA2 -0.207 3.753 3.960 0.001 0.000 0.216 161 G HA3 -0.207 3.753 3.960 0.001 0.000 0.216 161 G C 1.856 176.777 174.900 0.034 0.000 1.171 161 G CA 1.106 46.225 45.100 0.033 0.000 0.775 161 G HN 0.237 nan 8.290 nan 0.000 0.543 162 V N 1.533 121.436 119.914 -0.018 0.000 2.324 162 V HA -0.245 3.875 4.120 0.001 0.000 0.250 162 V C 2.727 178.858 176.094 0.062 0.000 1.060 162 V CA 2.186 64.494 62.300 0.014 0.000 1.042 162 V CB -0.544 31.245 31.823 -0.057 0.000 0.650 162 V HN 0.319 nan 8.190 nan 0.000 0.450 163 N N 0.365 119.047 118.700 -0.029 0.000 2.106 163 N HA -0.091 4.649 4.740 0.001 0.000 0.188 163 N C 1.865 177.391 175.510 0.026 0.000 1.029 163 N CA 1.677 54.693 53.050 -0.058 0.000 0.848 163 N CB -0.681 37.696 38.487 -0.184 0.000 1.007 163 N HN 0.471 nan 8.380 nan 0.000 0.423 164 A N 0.454 123.309 122.820 0.059 0.000 1.877 164 A HA -0.144 4.176 4.320 0.001 0.000 0.216 164 A C 2.143 179.788 177.584 0.102 0.000 1.186 164 A CA 1.207 53.291 52.037 0.079 0.000 0.620 164 A CB -1.126 17.925 19.000 0.086 0.000 0.822 164 A HN 0.328 nan 8.150 nan 0.000 0.443 165 F N 1.558 121.502 119.950 -0.010 0.000 2.120 165 F HA -0.199 4.329 4.527 0.001 0.000 0.300 165 F C 2.476 178.279 175.800 0.005 0.000 1.095 165 F CA 2.047 60.041 58.000 -0.010 0.000 1.249 165 F CB -0.387 38.597 39.000 -0.026 0.000 0.995 165 F HN 0.198 nan 8.300 nan 0.000 0.480 166 S N -0.312 115.402 115.700 0.023 0.000 2.371 166 S HA -0.170 4.300 4.470 0.001 0.000 0.224 166 S C 1.785 176.396 174.600 0.017 0.000 1.029 166 S CA 1.104 59.279 58.200 -0.041 0.000 0.978 166 S CB -0.390 62.850 63.200 0.067 0.000 0.833 166 S HN 0.495 nan 8.310 nan 0.000 0.466 167 E N 1.926 122.175 120.200 0.083 0.000 2.085 167 E HA -0.134 4.216 4.350 0.001 0.000 0.194 167 E C 1.891 178.440 176.600 -0.086 0.000 0.994 167 E CA 2.028 58.458 56.400 0.049 0.000 0.801 167 E CB -0.885 28.864 29.700 0.081 0.000 0.743 167 E HN 0.413 nan 8.360 nan 0.000 0.453 168 T N 1.141 115.635 114.554 -0.100 0.000 2.746 168 T HA -0.135 4.215 4.350 0.001 0.000 0.267 168 T C 1.785 176.373 174.700 -0.187 0.000 1.039 168 T CA 1.225 63.248 62.100 -0.128 0.000 1.142 168 T CB -0.458 68.345 68.868 -0.109 0.000 0.866 168 T HN 0.178 nan 8.240 nan 0.000 0.444 169 L N 1.455 122.500 121.223 -0.297 0.000 2.012 169 L HA -0.065 4.275 4.340 0.001 0.000 0.210 169 L C 2.582 179.344 176.870 -0.179 0.000 1.073 169 L CA 1.793 56.449 54.840 -0.307 0.000 0.748 169 L CB -0.478 41.300 42.059 -0.469 0.000 0.891 169 L HN 0.071 nan 8.230 nan 0.000 0.431 170 R N -0.765 119.641 120.500 -0.156 0.000 2.096 170 R HA -0.236 4.104 4.340 0.001 0.000 0.240 170 R C 2.288 178.502 176.300 -0.144 0.000 1.139 170 R CA 2.274 58.281 56.100 -0.155 0.000 0.952 170 R CB -0.356 29.782 30.300 -0.270 0.000 0.854 170 R HN 0.586 nan 8.270 nan 0.000 0.436 171 Q N -0.162 119.553 119.800 -0.142 0.000 2.135 171 Q HA -0.197 4.143 4.340 0.001 0.000 0.204 171 Q C 1.882 177.830 176.000 -0.086 0.000 0.981 171 Q CA 1.945 57.684 55.803 -0.108 0.000 0.856 171 Q CB 0.006 28.688 28.738 -0.093 0.000 0.902 171 Q HN 0.551 nan 8.270 nan 0.000 0.425 172 E N -0.313 119.831 120.200 -0.092 0.000 2.158 172 E HA -0.101 4.249 4.350 0.001 0.000 0.191 172 E C 1.808 178.372 176.600 -0.059 0.000 0.982 172 E CA 1.440 57.797 56.400 -0.073 0.000 0.823 172 E CB 0.368 30.019 29.700 -0.082 0.000 0.766 172 E HN 0.335 nan 8.360 nan 0.000 0.468 173 V N -3.412 116.464 119.914 -0.065 0.000 3.548 173 V HA 0.147 4.267 4.120 0.001 0.000 0.279 173 V C 1.900 177.974 176.094 -0.035 0.000 1.446 173 V CA 0.497 62.771 62.300 -0.043 0.000 1.023 173 V CB 0.515 32.315 31.823 -0.040 0.000 0.820 173 V HN 0.032 nan 8.190 nan 0.000 0.438 174 T N 1.109 115.631 114.554 -0.054 0.000 2.759 174 T HA -0.209 4.141 4.350 0.001 0.000 0.269 174 T C 1.685 176.367 174.700 -0.030 0.000 1.042 174 T CA 2.584 64.651 62.100 -0.056 0.000 1.140 174 T CB -0.323 68.492 68.868 -0.089 0.000 0.864 174 T HN 0.742 nan 8.240 nan 0.000 0.455 175 E N -0.043 120.142 120.200 -0.026 0.000 2.265 175 E HA -0.041 4.310 4.350 0.001 0.000 0.196 175 E C 2.130 178.737 176.600 0.012 0.000 0.996 175 E CA 0.681 57.075 56.400 -0.009 0.000 0.832 175 E CB 0.021 29.712 29.700 -0.014 0.000 0.756 175 E HN 0.364 nan 8.360 nan 0.000 0.491 176 R N -0.792 119.716 120.500 0.013 0.000 2.334 176 R HA 0.100 4.440 4.340 0.001 0.000 0.220 176 R C 0.757 177.096 176.300 0.063 0.000 0.917 176 R CA 0.461 56.577 56.100 0.027 0.000 1.073 176 R CB 0.754 31.060 30.300 0.010 0.000 1.056 176 R HN 0.213 nan 8.270 nan 0.000 0.506 177 G N 0.495 109.352 108.800 0.095 0.000 2.141 177 G HA2 -0.234 3.726 3.960 0.001 0.000 0.242 177 G HA3 -0.234 3.726 3.960 0.001 0.000 0.242 177 G C 0.025 175.059 174.900 0.222 0.000 0.982 177 G CA -0.123 45.116 45.100 0.231 0.000 0.662 177 G HN 0.140 nan 8.290 nan 0.000 0.527 178 V N 2.072 122.037 119.914 0.085 0.000 2.389 178 V HA 0.380 4.500 4.120 0.001 0.000 0.264 178 V C 1.056 177.154 176.094 0.005 0.000 1.049 178 V CA -0.441 61.894 62.300 0.057 0.000 0.932 178 V CB 0.846 32.686 31.823 0.029 0.000 1.011 178 V HN 0.372 nan 8.190 nan 0.000 0.475 179 R N 3.615 124.114 120.500 -0.002 0.000 2.308 179 R HA 0.531 4.871 4.340 0.001 0.000 0.305 179 R C -0.944 175.354 176.300 -0.004 0.000 1.053 179 R CA -0.505 55.569 56.100 -0.043 0.000 0.957 179 R CB 1.478 31.730 30.300 -0.081 0.000 1.022 179 R HN 0.495 nan 8.270 nan 0.000 0.461 180 V N 4.484 124.410 119.914 0.020 0.000 2.357 180 V HA 0.254 4.374 4.120 0.001 0.000 0.284 180 V C -0.090 176.094 176.094 0.149 0.000 1.018 180 V CA -0.684 61.662 62.300 0.078 0.000 0.841 180 V CB 1.638 33.513 31.823 0.087 0.000 0.991 180 V HN 0.454 nan 8.190 nan 0.000 0.437 181 V N 5.799 125.738 119.914 0.041 0.000 2.459 181 V HA 0.539 4.660 4.120 0.001 0.000 0.295 181 V C -0.282 175.757 176.094 -0.093 0.000 1.029 181 V CA -0.571 61.715 62.300 -0.023 0.000 0.874 181 V CB 2.194 34.000 31.823 -0.029 0.000 0.985 181 V HN 0.592 nan 8.190 nan 0.000 0.438 182 V N 5.835 125.627 119.914 -0.203 0.000 2.407 182 V HA 0.494 4.615 4.120 0.001 0.000 0.291 182 V C -0.405 175.607 176.094 -0.136 0.000 1.018 182 V CA -0.537 61.641 62.300 -0.204 0.000 0.842 182 V CB 1.689 33.302 31.823 -0.350 0.000 0.996 182 V HN 0.575 nan 8.190 nan 0.000 0.426 183 I N 4.117 124.642 120.570 -0.076 0.000 2.359 183 I HA 0.473 4.644 4.170 0.001 0.000 0.294 183 I C 0.286 176.379 176.117 -0.040 0.000 0.987 183 I CA -0.504 60.779 61.300 -0.029 0.000 1.225 183 I CB 1.581 39.586 38.000 0.009 0.000 1.366 183 I HN 0.713 nan 8.210 nan 0.000 0.466 184 E N 7.162 127.356 120.200 -0.010 0.000 2.489 184 E HA 0.329 4.679 4.350 0.001 0.000 0.232 184 E C -2.500 174.183 176.600 0.138 0.000 0.990 184 E CA -1.606 54.777 56.400 -0.029 0.000 0.768 184 E CB 1.282 30.837 29.700 -0.241 0.000 1.270 184 E HN 0.330 nan 8.360 nan 0.000 0.423 185 P HA 0.114 nan 4.420 nan 0.000 0.279 185 P C 0.348 177.759 177.300 0.184 0.000 1.239 185 P CA -0.187 63.000 63.100 0.145 0.000 0.789 185 P CB 1.203 32.965 31.700 0.104 0.000 0.933 186 G N 1.252 110.165 108.800 0.187 0.000 2.494 186 G HA2 0.210 4.171 3.960 0.001 0.000 0.270 186 G HA3 0.210 4.171 3.960 0.001 0.000 0.270 186 G C -0.586 174.395 174.900 0.135 0.000 1.423 186 G CA -0.432 44.771 45.100 0.172 0.000 1.055 186 G HN 0.415 nan 8.290 nan 0.000 0.536 187 T N 1.078 115.702 114.554 0.117 0.000 2.778 187 T HA 0.318 4.669 4.350 0.001 0.000 0.282 187 T C 0.030 174.776 174.700 0.078 0.000 0.983 187 T CA 0.640 62.802 62.100 0.104 0.000 1.193 187 T CB -0.128 68.768 68.868 0.047 0.000 0.938 187 T HN 0.413 nan 8.240 nan 0.000 0.523 188 T N 2.806 117.416 114.554 0.093 0.000 2.841 188 T HA 0.230 4.580 4.350 0.001 0.000 0.283 188 T C -0.179 174.561 174.700 0.067 0.000 1.000 188 T CA -0.846 61.296 62.100 0.071 0.000 0.977 188 T CB 1.589 70.502 68.868 0.076 0.000 0.979 188 T HN 0.463 nan 8.240 nan 0.000 0.446 189 D N 3.379 123.807 120.400 0.047 0.000 2.416 189 D HA 0.253 4.893 4.640 0.001 0.000 0.240 189 D C 0.471 176.798 176.300 0.045 0.000 1.250 189 D CA 0.145 54.169 54.000 0.041 0.000 0.967 189 D CB -0.007 40.808 40.800 0.025 0.000 1.059 189 D HN 0.673 nan 8.370 nan 0.000 0.512 190 T N -0.634 113.954 114.554 0.057 0.000 2.645 190 T HA 0.359 4.709 4.350 0.001 0.000 0.273 190 T C 1.022 175.754 174.700 0.053 0.000 0.960 190 T CA -0.683 61.450 62.100 0.056 0.000 1.051 190 T CB 0.839 69.748 68.868 0.068 0.000 1.366 190 T HN 0.114 nan 8.240 nan 0.000 0.536 191 E N -0.212 120.024 120.200 0.059 0.000 2.482 191 E HA 0.061 4.411 4.350 0.001 0.000 0.196 191 E C 1.735 178.374 176.600 0.066 0.000 1.047 191 E CA 0.040 56.467 56.400 0.045 0.000 0.869 191 E CB -0.181 29.564 29.700 0.075 0.000 0.836 191 E HN 0.422 nan 8.360 nan 0.000 0.520 192 L N 2.159 123.447 121.223 0.109 0.000 1.997 192 L HA -0.279 4.061 4.340 0.001 0.000 0.216 192 L C 2.453 179.368 176.870 0.075 0.000 1.074 192 L CA 2.045 56.962 54.840 0.128 0.000 0.763 192 L CB -0.268 41.833 42.059 0.071 0.000 0.890 192 L HN 0.074 nan 8.230 nan 0.000 0.434 193 R N -1.192 119.333 120.500 0.042 0.000 2.193 193 R HA -0.040 4.301 4.340 0.001 0.000 0.229 193 R C 2.039 178.325 176.300 -0.024 0.000 1.110 193 R CA 1.154 57.265 56.100 0.018 0.000 0.988 193 R CB -1.354 29.071 30.300 0.209 0.000 0.871 193 R HN 0.419 nan 8.270 nan 0.000 0.458 194 G N 0.496 109.239 108.800 -0.097 0.000 2.470 194 G HA2 -0.229 3.732 3.960 0.001 0.000 0.220 194 G HA3 -0.229 3.732 3.960 0.001 0.000 0.220 194 G C 0.601 175.348 174.900 -0.255 0.000 1.121 194 G CA 0.766 45.742 45.100 -0.206 0.000 0.766 194 G HN 0.513 nan 8.290 nan 0.000 0.553 195 H N -0.524 118.533 119.070 -0.022 0.000 2.548 195 H HA 0.295 4.851 4.556 0.000 0.000 0.265 195 H C 0.814 176.123 175.328 -0.031 0.000 0.969 195 H CA -0.567 55.467 56.048 -0.024 0.000 1.155 195 H CB 0.285 30.032 29.762 -0.024 0.000 1.394 195 H HN 0.237 nan 8.280 nan 0.000 0.570 196 I N 2.228 122.817 120.570 0.031 0.000 2.821 196 I HA -0.141 4.029 4.170 0.001 0.000 0.294 196 I C 1.519 177.656 176.117 0.034 0.000 1.210 196 I CA 0.554 61.858 61.300 0.007 0.000 1.430 196 I CB 0.882 38.861 38.000 -0.034 0.000 1.356 196 I HN 0.375 nan 8.210 nan 0.000 0.563 197 T N 1.569 116.155 114.554 0.054 0.000 3.051 197 T HA -0.066 4.284 4.350 0.001 0.000 0.255 197 T C 0.892 175.628 174.700 0.060 0.000 1.085 197 T CA 0.254 62.383 62.100 0.049 0.000 1.109 197 T CB -0.103 68.792 68.868 0.045 0.000 0.921 197 T HN 0.556 nan 8.240 nan 0.000 0.488 198 H N 2.179 121.249 119.070 0.000 0.000 3.004 198 H HA 0.242 4.798 4.556 0.001 0.000 0.267 198 H C 0.599 175.931 175.328 0.007 0.000 1.165 198 H CA 0.114 56.165 56.048 0.004 0.000 1.450 198 H CB 0.960 30.730 29.762 0.014 0.000 1.488 198 H HN 0.214 nan 8.280 nan 0.000 0.478 199 T N 3.527 117.944 114.554 -0.227 0.000 2.746 199 T HA -0.171 4.179 4.350 0.001 0.000 0.267 199 T C 2.226 176.879 174.700 -0.078 0.000 1.039 199 T CA 1.354 63.381 62.100 -0.121 0.000 1.142 199 T CB -0.086 68.709 68.868 -0.121 0.000 0.866 199 T HN 0.680 nan 8.240 nan 0.000 0.444 200 A N 1.443 124.166 122.820 -0.162 0.000 1.933 200 A HA -0.125 4.195 4.320 0.001 0.000 0.218 200 A C 2.555 180.222 177.584 0.139 0.000 1.175 200 A CA 2.019 54.054 52.037 -0.003 0.000 0.628 200 A CB -1.185 17.822 19.000 0.011 0.000 0.814 200 A HN 0.496 nan 8.150 nan 0.000 0.444 201 T N -0.607 114.132 114.554 0.308 0.000 2.812 201 T HA -0.084 4.267 4.350 0.001 0.000 0.264 201 T C 1.950 176.750 174.700 0.166 0.000 1.042 201 T CA 1.455 63.703 62.100 0.247 0.000 1.140 201 T CB -0.135 68.874 68.868 0.235 0.000 0.870 201 T HN 0.595 nan 8.240 nan 0.000 0.445 202 K N 1.236 121.714 120.400 0.129 0.000 2.044 202 K HA -0.095 4.226 4.320 0.001 0.000 0.210 202 K C 1.288 177.966 176.600 0.131 0.000 1.049 202 K CA 1.120 57.473 56.287 0.110 0.000 0.927 202 K CB -0.025 32.510 32.500 0.057 0.000 0.713 202 K HN 0.404 nan 8.250 nan 0.000 0.443 206 E N 0.811 121.037 120.200 0.044 0.000 2.085 206 E HA -0.293 4.057 4.350 0.001 0.000 0.194 206 E C 1.542 178.088 176.600 -0.091 0.000 0.994 206 E CA 1.851 58.222 56.400 -0.047 0.000 0.801 206 E CB -0.073 29.645 29.700 0.031 0.000 0.743 206 E HN 0.468 nan 8.360 nan 0.000 0.453 207 Q N 1.322 121.095 119.800 -0.046 0.000 2.079 207 Q HA -0.118 4.222 4.340 0.001 0.000 0.200 207 Q C 2.063 178.019 176.000 -0.072 0.000 0.974 207 Q CA 1.525 57.303 55.803 -0.042 0.000 0.840 207 Q CB -0.236 28.497 28.738 -0.010 0.000 0.898 207 Q HN 0.114 nan 8.270 nan 0.000 0.430 208 R N 0.064 120.506 120.500 -0.096 0.000 2.127 208 R HA -0.089 4.251 4.340 0.001 0.000 0.238 208 R C 1.801 178.012 176.300 -0.149 0.000 1.134 208 R CA 1.590 57.627 56.100 -0.104 0.000 0.975 208 R CB -0.321 29.925 30.300 -0.090 0.000 0.865 208 R HN 0.576 nan 8.270 nan 0.000 0.447 209 I N -1.739 118.688 120.570 -0.238 0.000 3.928 209 I HA 0.159 4.329 4.170 0.001 0.000 0.335 209 I C 1.199 177.235 176.117 -0.135 0.000 1.325 209 I CA 0.185 61.352 61.300 -0.222 0.000 1.107 209 I CB 0.585 38.362 38.000 -0.371 0.000 1.014 209 I HN -0.029 nan 8.210 nan 0.000 0.400 210 S N 0.236 115.873 115.700 -0.104 0.000 2.489 210 S HA 0.015 4.486 4.470 0.001 0.000 0.228 210 S C 1.690 176.262 174.600 -0.048 0.000 0.995 210 S CA 0.285 58.444 58.200 -0.067 0.000 0.934 210 S CB -0.149 63.020 63.200 -0.052 0.000 0.771 210 S HN 0.480 nan 8.310 nan 0.000 0.522 211 Q N 1.141 120.913 119.800 -0.046 0.000 2.396 211 Q HA 0.408 4.749 4.340 0.001 0.000 0.209 211 Q C 1.032 177.013 176.000 -0.031 0.000 0.906 211 Q CA 0.129 55.912 55.803 -0.033 0.000 0.927 211 Q CB -0.263 28.458 28.738 -0.028 0.000 1.069 211 Q HN 0.880 nan 8.270 nan 0.000 0.523 212 I N -1.422 119.126 120.570 -0.037 0.000 2.677 212 I HA 0.357 4.527 4.170 0.001 0.000 0.305 212 I C -0.218 175.883 176.117 -0.026 0.000 0.988 212 I CA -1.072 60.209 61.300 -0.031 0.000 1.260 212 I CB 0.995 38.974 38.000 -0.034 0.000 1.410 212 I HN -0.255 nan 8.210 nan 0.000 0.523 213 R N 4.149 124.636 120.500 -0.021 0.000 2.288 213 R HA 0.262 4.603 4.340 0.001 0.000 0.330 213 R C -0.488 175.804 176.300 -0.014 0.000 1.069 213 R CA -0.428 55.663 56.100 -0.016 0.000 0.941 213 R CB 0.421 30.713 30.300 -0.014 0.000 0.998 213 R HN 0.579 nan 8.270 nan 0.000 0.452 214 K N 2.764 123.158 120.400 -0.010 0.000 2.219 214 K HA 0.148 4.469 4.320 0.001 0.000 0.258 214 K C 0.309 176.912 176.600 0.007 0.000 1.008 214 K CA -0.432 55.854 56.287 -0.001 0.000 0.928 214 K CB 0.661 33.163 32.500 0.002 0.000 0.983 214 K HN 0.290 nan 8.250 nan 0.000 0.484 215 L N 2.224 123.457 121.223 0.016 0.000 2.483 215 L HA -0.037 4.303 4.340 0.001 0.000 0.275 215 L C 0.683 177.568 176.870 0.025 0.000 1.220 215 L CA 0.019 54.872 54.840 0.021 0.000 0.833 215 L CB 0.082 42.161 42.059 0.032 0.000 1.102 215 L HN 0.421 nan 8.230 nan 0.000 0.490 216 Q N 0.684 120.497 119.800 0.023 0.000 2.257 216 Q HA 0.326 4.666 4.340 0.001 0.000 0.262 216 Q C 0.738 176.756 176.000 0.031 0.000 0.997 216 Q CA -0.202 55.616 55.803 0.024 0.000 0.873 216 Q CB 1.790 30.538 28.738 0.018 0.000 1.312 216 Q HN 0.754 nan 8.270 nan 0.000 0.450 217 A N 2.007 124.847 122.820 0.033 0.000 1.917 217 A HA -0.316 4.004 4.320 0.001 0.000 0.219 217 A C 1.850 179.454 177.584 0.033 0.000 1.182 217 A CA 2.396 54.455 52.037 0.036 0.000 0.633 217 A CB -0.541 18.480 19.000 0.035 0.000 0.819 217 A HN 0.837 nan 8.150 nan 0.000 0.448 218 Q N -0.779 119.037 119.800 0.028 0.000 2.170 218 Q HA -0.224 4.116 4.340 0.001 0.000 0.203 218 Q C 1.033 177.050 176.000 0.028 0.000 0.976 218 Q CA 1.617 57.436 55.803 0.026 0.000 0.858 218 Q CB -0.521 28.229 28.738 0.021 0.000 0.907 218 Q HN 0.554 nan 8.270 nan 0.000 0.433 219 D N 1.322 121.738 120.400 0.026 0.000 2.117 219 D HA -0.119 4.522 4.640 0.001 0.000 0.197 219 D C 1.985 178.306 176.300 0.035 0.000 0.987 219 D CA 1.045 55.060 54.000 0.025 0.000 0.829 219 D CB -0.026 40.786 40.800 0.020 0.000 0.961 219 D HN 0.326 nan 8.370 nan 0.000 0.460 220 I N 1.251 121.845 120.570 0.041 0.000 2.353 220 I HA -0.098 4.072 4.170 0.001 0.000 0.248 220 I C 2.541 178.687 176.117 0.050 0.000 1.119 220 I CA 0.422 61.751 61.300 0.049 0.000 1.417 220 I CB -1.528 36.502 38.000 0.051 0.000 1.078 220 I HN -0.136 nan 8.210 nan 0.000 0.421 221 A N 0.885 123.732 122.820 0.044 0.000 1.917 221 A HA -0.268 4.052 4.320 0.001 0.000 0.219 221 A C 2.302 179.917 177.584 0.051 0.000 1.182 221 A CA 2.175 54.237 52.037 0.043 0.000 0.633 221 A CB -0.632 18.390 19.000 0.036 0.000 0.819 221 A HN 0.407 nan 8.150 nan 0.000 0.448 222 E N 0.256 120.487 120.200 0.052 0.000 2.106 222 E HA -0.032 4.318 4.350 0.001 0.000 0.192 222 E C 1.988 178.649 176.600 0.102 0.000 0.984 222 E CA 1.506 57.944 56.400 0.064 0.000 0.806 222 E CB -0.521 29.206 29.700 0.044 0.000 0.750 222 E HN 0.468 nan 8.360 nan 0.000 0.458 223 A N 0.082 122.959 122.820 0.095 0.000 1.902 223 A HA -0.149 4.171 4.320 0.001 0.000 0.217 223 A C 2.503 180.174 177.584 0.145 0.000 1.181 223 A CA 1.739 53.860 52.037 0.140 0.000 0.623 223 A CB -0.831 18.231 19.000 0.102 0.000 0.818 223 A HN 0.193 nan 8.150 nan 0.000 0.443 224 V N 0.094 120.059 119.914 0.084 0.000 2.295 224 V HA -0.265 3.856 4.120 0.001 0.000 0.246 224 V C 2.659 178.776 176.094 0.039 0.000 1.049 224 V CA 2.258 64.588 62.300 0.049 0.000 1.024 224 V CB -0.833 31.012 31.823 0.037 0.000 0.648 224 V HN 0.633 nan 8.190 nan 0.000 0.447 225 R N -0.905 119.631 120.500 0.059 0.000 2.091 225 R HA -0.250 4.090 4.340 0.001 0.000 0.238 225 R C 2.424 178.758 176.300 0.056 0.000 1.136 225 R CA 2.435 58.566 56.100 0.052 0.000 0.959 225 R CB -0.540 29.798 30.300 0.063 0.000 0.856 225 R HN 0.649 nan 8.270 nan 0.000 0.437 226 Y N 0.603 120.906 120.300 0.005 0.000 2.145 226 Y HA -0.196 4.354 4.550 0.000 0.000 0.286 226 Y C 2.075 177.973 175.900 -0.003 0.000 1.145 226 Y CA 1.544 59.645 58.100 0.001 0.000 1.148 226 Y CB -0.696 37.766 38.460 0.002 0.000 0.981 226 Y HN 0.147 nan 8.280 nan 0.000 0.507 227 A N 0.349 122.933 122.820 -0.394 0.000 1.883 227 A HA -0.184 4.136 4.320 0.001 0.000 0.217 227 A C 2.331 179.747 177.584 -0.280 0.000 1.186 227 A CA 2.928 54.711 52.037 -0.424 0.000 0.624 227 A CB -1.659 17.246 19.000 -0.158 0.000 0.822 227 A HN 0.716 nan 8.150 nan 0.000 0.444 228 V N -2.132 117.693 119.914 -0.149 0.000 2.871 228 V HA -0.064 4.057 4.120 0.001 0.000 0.256 228 V C 2.080 178.123 176.094 -0.084 0.000 1.082 228 V CA 2.162 64.409 62.300 -0.089 0.000 1.105 228 V CB -1.485 30.317 31.823 -0.036 0.000 0.713 228 V HN 0.673 nan 8.190 nan 0.000 0.473 229 T N -1.577 112.916 114.554 -0.100 0.000 3.107 229 T HA 0.494 4.844 4.350 0.001 0.000 0.249 229 T C 0.916 175.556 174.700 -0.100 0.000 1.096 229 T CA 0.434 62.495 62.100 -0.065 0.000 1.012 229 T CB -0.335 68.522 68.868 -0.018 0.000 0.977 229 T HN 0.944 nan 8.240 nan 0.000 0.527 230 A N 3.215 125.914 122.820 -0.202 0.000 2.466 230 A HA 0.520 4.840 4.320 0.001 0.000 0.238 230 A C -1.925 175.563 177.584 -0.161 0.000 1.074 230 A CA -1.241 50.665 52.037 -0.218 0.000 0.774 230 A CB -0.295 18.497 19.000 -0.347 0.000 1.015 230 A HN 0.343 nan 8.150 nan 0.000 0.498 231 P HA 0.003 nan 4.420 nan 0.000 0.269 231 P C 0.841 178.017 177.300 -0.206 0.000 1.215 231 P CA 0.001 63.011 63.100 -0.150 0.000 0.780 231 P CB 0.234 31.831 31.700 -0.172 0.000 0.898 232 H N 2.269 121.272 119.070 -0.111 0.000 2.426 232 H HA -0.198 4.358 4.556 0.000 0.000 0.298 232 H C 1.594 176.879 175.328 -0.071 0.000 1.107 232 H CA 1.820 57.827 56.048 -0.068 0.000 1.298 232 H CB -0.003 29.759 29.762 0.000 0.000 1.377 232 H HN 0.564 nan 8.280 nan 0.000 0.519 233 H N -0.930 118.110 119.070 -0.050 0.000 2.559 233 H HA 0.234 4.790 4.556 0.001 0.000 0.273 233 H C 0.130 175.393 175.328 -0.109 0.000 1.000 233 H CA 0.600 56.597 56.048 -0.084 0.000 1.195 233 H CB -0.146 29.613 29.762 -0.006 0.000 1.368 233 H HN 0.258 nan 8.280 nan 0.000 0.592 234 A N 1.461 124.001 122.820 -0.466 0.000 2.287 234 A HA 0.430 4.750 4.320 0.001 0.000 0.317 234 A C -0.385 177.060 177.584 -0.232 0.000 1.220 234 A CA -0.590 51.266 52.037 -0.301 0.000 0.835 234 A CB 0.858 19.650 19.000 -0.346 0.000 1.180 234 A HN 0.270 nan 8.150 nan 0.000 0.500 235 T N 2.665 117.129 114.554 -0.151 0.000 2.770 235 T HA 0.352 4.702 4.350 0.001 0.000 0.297 235 T C -0.091 174.580 174.700 -0.048 0.000 0.997 235 T CA -0.147 61.888 62.100 -0.108 0.000 0.949 235 T CB 0.685 69.499 68.868 -0.090 0.000 0.941 235 T HN 0.378 nan 8.240 nan 0.000 0.457 236 V N 4.900 124.774 119.914 -0.067 0.000 2.313 236 V HA 0.075 4.196 4.120 0.001 0.000 0.252 236 V C 1.359 177.474 176.094 0.035 0.000 1.112 236 V CA -0.157 62.134 62.300 -0.016 0.000 0.984 236 V CB -0.375 31.401 31.823 -0.079 0.000 1.157 236 V HN 0.882 nan 8.190 nan 0.000 0.493 237 H N 3.197 122.247 119.070 -0.033 0.000 2.428 237 H HA 0.148 4.704 4.556 0.000 0.000 0.296 237 H C 0.718 176.032 175.328 -0.023 0.000 1.062 237 H CA 1.348 57.374 56.048 -0.036 0.000 1.350 237 H CB 0.521 30.259 29.762 -0.039 0.000 1.403 237 H HN 0.672 nan 8.280 nan 0.000 0.533 238 E N -0.193 119.972 120.200 -0.058 0.000 2.290 238 E HA 0.382 4.732 4.350 0.001 0.000 0.274 238 E C -1.227 175.385 176.600 0.019 0.000 0.889 238 E CA -0.508 55.834 56.400 -0.098 0.000 0.760 238 E CB 2.444 32.082 29.700 -0.104 0.000 1.206 238 E HN 0.147 nan 8.360 nan 0.000 0.419 239 I N 3.393 123.983 120.570 0.033 0.000 2.439 239 I HA 0.291 4.461 4.170 0.001 0.000 0.285 239 I C -1.141 175.070 176.117 0.156 0.000 1.021 239 I CA -0.812 60.552 61.300 0.105 0.000 1.091 239 I CB 1.117 39.188 38.000 0.119 0.000 1.242 239 I HN 0.396 nan 8.210 nan 0.000 0.439 240 F N 8.547 128.486 119.950 -0.018 0.000 2.332 240 F HA 0.555 5.082 4.527 0.000 0.000 0.368 240 F C -0.682 175.111 175.800 -0.012 0.000 1.110 240 F CA -1.616 56.370 58.000 -0.024 0.000 1.087 240 F CB 0.992 39.973 39.000 -0.031 0.000 1.235 240 F HN 0.292 nan 8.300 nan 0.000 0.470 241 I N 7.559 128.265 120.570 0.227 0.000 2.389 241 I HA 0.483 4.653 4.170 0.001 0.000 0.288 241 I C -1.045 175.068 176.117 -0.007 0.000 0.999 241 I CA -0.498 60.820 61.300 0.030 0.000 1.129 241 I CB 0.805 38.834 38.000 0.048 0.000 1.288 241 I HN 0.586 nan 8.210 nan 0.000 0.444 242 R N 6.774 127.194 120.500 -0.132 0.000 2.711 242 R HA 0.563 4.903 4.340 0.001 0.000 0.284 242 R C -2.595 173.664 176.300 -0.067 0.000 0.968 242 R CA -1.801 54.226 56.100 -0.122 0.000 0.924 242 R CB 1.482 31.624 30.300 -0.264 0.000 1.162 242 R HN 0.393 nan 8.270 nan 0.000 0.465 243 P HA 0.044 nan 4.420 nan 0.000 0.267 243 P C 0.160 177.434 177.300 -0.044 0.000 1.209 243 P CA 0.091 63.175 63.100 -0.028 0.000 0.763 243 P CB 0.739 32.431 31.700 -0.013 0.000 0.816 244 T N 0.428 114.956 114.554 -0.043 0.000 2.803 244 T HA -0.135 4.215 4.350 0.001 0.000 0.269 244 T C 0.915 175.593 174.700 -0.037 0.000 1.052 244 T CA 1.488 63.561 62.100 -0.046 0.000 1.136 244 T CB -0.469 68.376 68.868 -0.039 0.000 0.864 244 T HN 0.451 nan 8.240 nan 0.000 0.467 245 D N 0.802 121.184 120.400 -0.030 0.000 2.347 245 D HA 0.016 4.657 4.640 0.001 0.000 0.215 245 D C 0.967 177.252 176.300 -0.025 0.000 0.976 245 D CA 0.521 54.505 54.000 -0.026 0.000 0.884 245 D CB -0.002 40.784 40.800 -0.023 0.000 0.915 245 D HN 0.454 nan 8.370 nan 0.000 0.526 246 Q N 1.121 120.905 119.800 -0.026 0.000 2.348 246 Q HA 0.313 4.653 4.340 0.001 0.000 0.265 246 Q C -0.390 175.599 176.000 -0.018 0.000 0.998 246 Q CA -0.453 55.339 55.803 -0.019 0.000 0.831 246 Q CB 1.520 30.250 28.738 -0.013 0.000 1.251 246 Q HN -0.181 nan 8.270 nan 0.000 0.456 247 V N 0.000 119.908 119.914 -0.011 0.000 2.409 247 V HA 0.000 4.120 4.120 0.001 0.000 0.244 247 V CA 0.000 62.297 62.300 -0.006 0.000 1.235 247 V CB 0.000 31.822 31.823 -0.001 0.000 1.184 247 V HN 0.000 nan 8.190 nan 0.000 0.556