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 1ioa_1_B DATA FIRST_RESID 1 DATA SEQUENCE ATETSFNFPN FHTDDKLILQ GNATISSKGQ LQLTGVGSNE LPRVDSLGRA DATA SEQUENCE FYSDPIQIKD SNNVASFNTN FTFIIRAKNQ SISAYGLAFA LVPVNSPPQK DATA SEQUENCE KQEFLGIFNT NNPEPNARTV AVVFNTFKNR IDFDKNFIKP YVNENcDFHK DATA SEQUENCE YNGEKTDVQI TYDSSNNDLR VFLHFTVSQV KcSVSATVHL EKEVDEWVSV DATA SEQUENCE GFSPTSGLTE DTTETHDVLS WSFSSKFR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.688 177.584 0.173 0.000 1.274 1 A CA 0.000 52.123 52.037 0.144 0.000 0.836 1 A CB 0.000 19.102 19.000 0.169 0.000 0.831 2 T N -1.086 113.529 114.554 0.103 0.000 2.989 2 T HA 0.286 4.635 4.350 -0.000 0.000 0.250 2 T C 0.333 175.215 174.700 0.303 0.000 0.981 2 T CA 0.466 62.586 62.100 0.034 0.000 0.980 2 T CB 0.118 68.784 68.868 -0.336 0.000 1.133 2 T HN 0.600 nan 8.240 nan 0.000 0.489 3 E N 2.348 122.705 120.200 0.263 0.000 2.115 3 E HA 0.454 4.803 4.350 -0.000 0.000 0.282 3 E C -0.918 175.815 176.600 0.222 0.000 0.987 3 E CA -0.286 56.271 56.400 0.262 0.000 0.797 3 E CB 1.187 31.012 29.700 0.208 0.000 1.086 3 E HN 0.159 nan 8.360 nan 0.000 0.397 4 T N 1.548 116.252 114.554 0.250 0.000 2.902 4 T HA 0.448 4.798 4.350 -0.000 0.000 0.283 4 T C -0.429 174.387 174.700 0.194 0.000 1.009 4 T CA -0.620 61.633 62.100 0.255 0.000 1.051 4 T CB 1.479 70.533 68.868 0.311 0.000 0.999 4 T HN 0.263 nan 8.240 nan 0.000 0.474 5 S N 1.948 117.725 115.700 0.128 0.000 2.605 5 S HA 0.669 5.139 4.470 -0.000 0.000 0.279 5 S C -1.557 173.017 174.600 -0.043 0.000 1.166 5 S CA -0.877 57.303 58.200 -0.033 0.000 0.975 5 S CB 0.150 63.341 63.200 -0.016 0.000 1.111 5 S HN 0.605 nan 8.310 nan 0.000 0.465 6 F N 1.980 121.781 119.950 -0.249 0.000 2.692 6 F HA 0.714 5.240 4.527 -0.001 0.000 0.320 6 F C -0.672 174.873 175.800 -0.424 0.000 1.123 6 F CA -0.990 56.762 58.000 -0.414 0.000 0.961 6 F CB 1.417 39.988 39.000 -0.715 0.000 1.383 6 F HN 0.533 nan 8.300 nan 0.000 0.483 7 N N 0.735 119.290 118.700 -0.242 0.000 2.572 7 N HA 0.337 5.077 4.740 -0.000 0.000 0.287 7 N C -2.409 172.960 175.510 -0.236 0.000 1.136 7 N CA -0.328 52.602 53.050 -0.200 0.000 0.900 7 N CB 1.131 39.555 38.487 -0.104 0.000 1.484 7 N HN 0.539 nan 8.380 nan 0.000 0.526 8 F N 4.604 124.617 119.950 0.105 0.000 2.308 8 F HA 0.424 4.951 4.527 -0.001 0.000 0.370 8 F C -1.269 174.438 175.800 -0.155 0.000 1.100 8 F CA -1.897 56.048 58.000 -0.092 0.000 1.108 8 F CB 1.566 40.376 39.000 -0.316 0.000 1.293 8 F HN 0.384 nan 8.300 nan 0.000 0.478 9 P HA -0.066 nan 4.420 nan 0.000 0.229 9 P C -0.760 176.513 177.300 -0.045 0.000 1.160 9 P CA 0.911 64.034 63.100 0.039 0.000 0.777 9 P CB 0.390 32.122 31.700 0.054 0.000 0.814 10 N N -2.292 116.285 118.700 -0.206 0.000 3.116 10 N HA 0.311 5.051 4.740 -0.000 0.000 0.244 10 N C -1.457 173.629 175.510 -0.707 0.000 1.485 10 N CA -0.805 52.032 53.050 -0.355 0.000 0.884 10 N CB 0.411 38.803 38.487 -0.157 0.000 1.415 10 N HN -0.308 nan 8.380 nan 0.000 0.524 11 F N -0.475 119.364 119.950 -0.186 0.000 2.507 11 F HA 0.567 5.094 4.527 -0.001 0.000 0.327 11 F C 0.002 175.536 175.800 -0.444 0.000 1.068 11 F CA -0.193 57.672 58.000 -0.226 0.000 0.965 11 F CB 1.590 40.494 39.000 -0.161 0.000 1.192 11 F HN 0.482 nan 8.300 nan 0.000 0.476 12 H N -1.561 117.621 119.070 0.186 0.000 3.008 12 H HA 0.287 4.843 4.556 -0.001 0.000 0.354 12 H C 0.383 175.771 175.328 0.100 0.000 1.252 12 H CA -0.666 55.455 56.048 0.122 0.000 1.117 12 H CB 1.658 31.480 29.762 0.101 0.000 1.857 12 H HN 0.528 nan 8.280 nan 0.000 0.547 13 T N -0.115 114.565 114.554 0.211 0.000 2.746 13 T HA -0.170 4.179 4.350 -0.000 0.000 0.267 13 T C 1.300 176.062 174.700 0.104 0.000 1.039 13 T CA 1.712 63.884 62.100 0.120 0.000 1.142 13 T CB -0.232 68.688 68.868 0.087 0.000 0.866 13 T HN 0.781 nan 8.240 nan 0.000 0.444 14 D N 1.387 121.854 120.400 0.113 0.000 2.358 14 D HA -0.033 4.607 4.640 -0.000 0.000 0.241 14 D C -0.113 176.249 176.300 0.104 0.000 1.094 14 D CA 0.127 54.175 54.000 0.080 0.000 0.907 14 D CB -0.338 40.492 40.800 0.051 0.000 0.893 14 D HN 0.207 nan 8.370 nan 0.000 0.528 15 D N 0.978 121.466 120.400 0.146 0.000 2.329 15 D HA 0.069 4.709 4.640 -0.000 0.000 0.246 15 D C 0.750 177.121 176.300 0.118 0.000 1.111 15 D CA -0.273 53.843 54.000 0.194 0.000 0.941 15 D CB 0.922 41.861 40.800 0.231 0.000 1.169 15 D HN -0.151 nan 8.370 nan 0.000 0.441 16 K N 1.624 122.115 120.400 0.151 0.000 2.686 16 K HA 0.150 4.470 4.320 -0.000 0.000 0.244 16 K C -0.493 176.070 176.600 -0.062 0.000 1.262 16 K CA 0.164 56.422 56.287 -0.049 0.000 1.199 16 K CB -0.623 31.745 32.500 -0.220 0.000 1.428 16 K HN 0.283 nan 8.250 nan 0.000 0.247 17 L N 1.223 122.440 121.223 -0.010 0.000 2.371 17 L HA 0.547 4.887 4.340 -0.000 0.000 0.262 17 L C -0.236 176.639 176.870 0.008 0.000 1.006 17 L CA -0.985 53.865 54.840 0.016 0.000 0.818 17 L CB 2.150 44.211 42.059 0.004 0.000 1.354 17 L HN 0.066 nan 8.230 nan 0.000 0.415 18 I N 3.291 123.889 120.570 0.046 0.000 2.355 18 I HA 0.384 4.554 4.170 -0.000 0.000 0.288 18 I C -0.729 175.414 176.117 0.045 0.000 0.999 18 I CA -0.364 60.968 61.300 0.054 0.000 1.163 18 I CB 1.443 39.507 38.000 0.106 0.000 1.316 18 I HN 0.276 nan 8.210 nan 0.000 0.454 19 L N 6.899 128.125 121.223 0.006 0.000 2.307 19 L HA 0.547 4.886 4.340 -0.000 0.000 0.284 19 L C -0.290 176.575 176.870 -0.009 0.000 1.023 19 L CA -0.524 54.299 54.840 -0.027 0.000 0.810 19 L CB 1.364 43.397 42.059 -0.045 0.000 1.231 19 L HN 0.589 nan 8.230 nan 0.000 0.423 20 Q N 1.043 120.833 119.800 -0.016 0.000 2.496 20 Q HA 0.649 4.988 4.340 -0.000 0.000 0.286 20 Q C 0.354 176.336 176.000 -0.029 0.000 1.103 20 Q CA -0.412 55.388 55.803 -0.004 0.000 0.813 20 Q CB 2.430 31.190 28.738 0.036 0.000 1.444 20 Q HN 0.794 nan 8.270 nan 0.000 0.443 21 G N 1.474 110.259 108.800 -0.025 0.000 2.581 21 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.291 21 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.291 21 G C 0.161 175.039 174.900 -0.036 0.000 1.277 21 G CA 0.272 45.352 45.100 -0.033 0.000 0.959 21 G HN 0.723 nan 8.290 nan 0.000 0.554 22 N N 1.847 120.524 118.700 -0.038 0.000 2.501 22 N HA 0.299 5.039 4.740 -0.000 0.000 0.195 22 N C 1.040 176.523 175.510 -0.045 0.000 1.213 22 N CA 0.927 53.957 53.050 -0.035 0.000 0.864 22 N CB -0.187 38.285 38.487 -0.025 0.000 0.999 22 N HN 0.961 nan 8.380 nan 0.000 0.454 23 A N 0.816 123.598 122.820 -0.064 0.000 2.462 23 A HA 0.433 4.753 4.320 -0.000 0.000 0.243 23 A C 0.797 178.337 177.584 -0.074 0.000 1.076 23 A CA 0.059 52.044 52.037 -0.087 0.000 0.773 23 A CB 0.204 19.131 19.000 -0.122 0.000 1.010 23 A HN 0.278 nan 8.150 nan 0.000 0.493 24 T N -0.919 113.588 114.554 -0.079 0.000 2.792 24 T HA 0.607 4.957 4.350 -0.000 0.000 0.303 24 T C -0.804 173.853 174.700 -0.072 0.000 1.310 24 T CA -0.566 61.499 62.100 -0.059 0.000 1.007 24 T CB 0.646 69.494 68.868 -0.034 0.000 1.335 24 T HN 0.335 nan 8.240 nan 0.000 0.504 25 I N 2.901 123.445 120.570 -0.042 0.000 2.336 25 I HA 0.445 4.615 4.170 -0.000 0.000 0.292 25 I C 0.952 177.069 176.117 0.000 0.000 0.991 25 I CA -0.048 61.237 61.300 -0.025 0.000 1.227 25 I CB 1.740 39.753 38.000 0.021 0.000 1.366 25 I HN 0.920 nan 8.210 nan 0.000 0.466 26 S N 3.285 118.987 115.700 0.002 0.000 2.603 26 S HA 0.146 4.615 4.470 -0.000 0.000 0.268 26 S C 1.335 175.952 174.600 0.029 0.000 1.317 26 S CA -0.076 58.132 58.200 0.013 0.000 1.012 26 S CB 1.008 64.215 63.200 0.012 0.000 0.926 26 S HN 0.697 nan 8.310 nan 0.000 0.539 27 S N 0.986 116.704 115.700 0.031 0.000 2.440 27 S HA -0.110 4.359 4.470 -0.000 0.000 0.240 27 S C 1.259 175.887 174.600 0.047 0.000 1.014 27 S CA 0.717 58.943 58.200 0.042 0.000 0.980 27 S CB -0.446 62.776 63.200 0.036 0.000 0.775 27 S HN 0.688 nan 8.310 nan 0.000 0.499 28 K N 1.041 121.464 120.400 0.038 0.000 2.444 28 K HA 0.226 4.546 4.320 -0.000 0.000 0.193 28 K C 1.184 177.800 176.600 0.026 0.000 1.024 28 K CA 0.595 56.904 56.287 0.037 0.000 1.077 28 K CB -0.304 32.217 32.500 0.035 0.000 0.833 28 K HN 0.600 nan 8.250 nan 0.000 0.517 29 G N 2.067 110.874 108.800 0.012 0.000 2.255 29 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.239 29 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.239 29 G C -0.447 174.508 174.900 0.093 0.000 1.083 29 G CA -0.189 44.887 45.100 -0.041 0.000 0.826 29 G HN 0.342 nan 8.290 nan 0.000 0.493 30 Q N -1.128 118.732 119.800 0.100 0.000 2.353 30 Q HA 0.655 4.995 4.340 -0.000 0.000 0.268 30 Q C -0.378 175.614 176.000 -0.013 0.000 1.045 30 Q CA -1.127 54.748 55.803 0.120 0.000 0.811 30 Q CB 2.306 31.080 28.738 0.060 0.000 1.305 30 Q HN 0.307 nan 8.270 nan 0.000 0.447 31 L N 2.885 123.980 121.223 -0.214 0.000 2.283 31 L HA 0.181 4.521 4.340 -0.000 0.000 0.287 31 L C -0.828 175.876 176.870 -0.277 0.000 1.073 31 L CA 0.567 55.133 54.840 -0.455 0.000 0.822 31 L CB 0.677 42.101 42.059 -1.058 0.000 1.186 31 L HN 0.562 nan 8.230 nan 0.000 0.436 32 Q N 5.269 124.964 119.800 -0.175 0.000 2.503 32 Q HA 0.124 4.464 4.340 -0.000 0.000 0.227 32 Q C 0.691 176.621 176.000 -0.118 0.000 1.109 32 Q CA -0.658 55.079 55.803 -0.110 0.000 0.922 32 Q CB 1.111 29.813 28.738 -0.059 0.000 1.249 32 Q HN 0.618 nan 8.270 nan 0.000 0.530 33 L N 1.324 122.461 121.223 -0.143 0.000 1.971 33 L HA -0.209 4.130 4.340 -0.000 0.000 0.215 33 L C 2.286 179.101 176.870 -0.092 0.000 1.072 33 L CA 2.357 57.108 54.840 -0.149 0.000 0.758 33 L CB -1.412 40.530 42.059 -0.196 0.000 0.889 33 L HN 0.619 nan 8.230 nan 0.000 0.433 34 T N -3.113 111.429 114.554 -0.020 0.000 3.129 34 T HA 0.454 4.804 4.350 -0.000 0.000 0.251 34 T C 1.007 175.711 174.700 0.007 0.000 1.117 34 T CA 0.349 62.452 62.100 0.005 0.000 1.034 34 T CB -0.260 68.668 68.868 0.100 0.000 0.968 34 T HN 0.567 nan 8.240 nan 0.000 0.526 35 G N 0.400 109.197 108.800 -0.006 0.000 2.828 35 G HA2 0.015 3.975 3.960 -0.000 0.000 0.463 35 G HA3 0.015 3.975 3.960 -0.000 0.000 0.463 35 G C -0.940 173.961 174.900 0.001 0.000 1.394 35 G CA -0.518 44.576 45.100 -0.010 0.000 0.862 35 G HN 0.739 nan 8.290 nan 0.000 0.540 36 V N 1.107 121.019 119.914 -0.003 0.000 2.686 36 V HA 0.731 4.850 4.120 -0.000 0.000 0.306 36 V C 1.203 177.297 176.094 -0.000 0.000 1.065 36 V CA 0.312 62.612 62.300 0.000 0.000 0.894 36 V CB 1.594 33.417 31.823 -0.001 0.000 1.004 36 V HN 1.904 nan 8.190 nan 0.000 0.424 37 G N 2.515 111.316 108.800 0.002 0.000 2.570 37 G HA2 0.295 4.254 3.960 -0.000 0.000 0.276 37 G HA3 0.295 4.254 3.960 -0.000 0.000 0.276 37 G C 1.212 176.113 174.900 0.001 0.000 1.346 37 G CA 0.410 45.511 45.100 0.001 0.000 1.034 37 G HN 0.820 nan 8.290 nan 0.000 0.512 38 S N -0.411 115.289 115.700 0.001 0.000 2.402 38 S HA -0.180 4.290 4.470 -0.000 0.000 0.233 38 S C 1.594 176.196 174.600 0.002 0.000 1.030 38 S CA 1.658 59.859 58.200 0.001 0.000 1.003 38 S CB -0.258 62.943 63.200 0.001 0.000 0.813 38 S HN 0.614 nan 8.310 nan 0.000 0.477 39 N N 0.678 119.379 118.700 0.002 0.000 2.314 39 N HA 0.214 4.954 4.740 -0.000 0.000 0.200 39 N C -0.591 174.920 175.510 0.002 0.000 1.135 39 N CA -0.047 53.005 53.050 0.002 0.000 0.835 39 N CB 0.145 38.634 38.487 0.002 0.000 0.989 39 N HN 0.080 nan 8.380 nan 0.000 0.478 40 E N -0.185 120.017 120.200 0.002 0.000 2.637 40 E HA -0.175 4.175 4.350 -0.000 0.000 0.265 40 E C -1.081 175.520 176.600 0.002 0.000 1.073 40 E CA 0.580 56.981 56.400 0.002 0.000 0.778 40 E CB -1.448 28.254 29.700 0.003 0.000 1.362 40 E HN 0.430 nan 8.360 nan 0.000 0.413 41 L N -0.713 120.510 121.223 0.001 0.000 2.330 41 L HA 0.593 4.933 4.340 -0.000 0.000 0.271 41 L C -1.987 174.884 176.870 0.002 0.000 1.013 41 L CA -2.654 52.187 54.840 0.001 0.000 0.816 41 L CB 1.284 43.343 42.059 0.001 0.000 1.287 41 L HN -0.217 nan 8.230 nan 0.000 0.435 42 P HA 0.037 nan 4.420 nan 0.000 0.266 42 P C -0.895 176.413 177.300 0.012 0.000 1.193 42 P CA 0.101 63.204 63.100 0.006 0.000 0.770 42 P CB 0.399 32.098 31.700 -0.001 0.000 0.836 43 R N 1.132 121.643 120.500 0.019 0.000 2.441 43 R HA 0.374 4.714 4.340 -0.000 0.000 0.284 43 R C -0.087 176.231 176.300 0.030 0.000 1.070 43 R CA -0.858 55.254 56.100 0.019 0.000 1.047 43 R CB 0.695 31.004 30.300 0.015 0.000 1.016 43 R HN 0.335 nan 8.270 nan 0.000 0.477 44 V N 0.903 120.832 119.914 0.025 0.000 2.539 44 V HA 0.202 4.322 4.120 -0.000 0.000 0.292 44 V C 0.126 176.242 176.094 0.038 0.000 1.045 44 V CA -0.486 61.834 62.300 0.034 0.000 0.945 44 V CB 1.413 33.250 31.823 0.024 0.000 0.993 44 V HN 0.903 nan 8.190 nan 0.000 0.464 45 D N 2.646 123.081 120.400 0.057 0.000 2.697 45 D HA -0.179 4.461 4.640 -0.000 0.000 0.238 45 D C -0.160 176.157 176.300 0.027 0.000 1.152 45 D CA 1.499 55.530 54.000 0.052 0.000 0.666 45 D CB -0.999 39.824 40.800 0.039 0.000 1.037 45 D HN 1.176 nan 8.370 nan 0.000 0.423 46 S N -0.050 115.668 115.700 0.030 0.000 2.532 46 S HA 0.792 5.262 4.470 -0.000 0.000 0.301 46 S C -0.989 173.602 174.600 -0.016 0.000 1.083 46 S CA -0.894 57.310 58.200 0.007 0.000 1.025 46 S CB 1.492 64.701 63.200 0.015 0.000 1.056 46 S HN 0.460 nan 8.310 nan 0.000 0.494 47 L N 2.961 124.162 121.223 -0.036 0.000 2.408 47 L HA 1.003 5.342 4.340 -0.000 0.000 0.268 47 L C -0.436 176.394 176.870 -0.067 0.000 0.986 47 L CA 0.078 54.880 54.840 -0.064 0.000 0.820 47 L CB 1.628 43.652 42.059 -0.059 0.000 1.303 47 L HN 0.777 nan 8.230 nan 0.000 0.411 48 G N 3.784 112.527 108.800 -0.095 0.000 2.746 48 G HA2 0.716 4.676 3.960 -0.000 0.000 0.297 48 G HA3 0.716 4.676 3.960 -0.000 0.000 0.297 48 G C -1.557 173.260 174.900 -0.137 0.000 1.426 48 G CA -0.857 44.184 45.100 -0.099 0.000 0.989 48 G HN 0.676 nan 8.290 nan 0.000 0.520 49 R N -0.213 120.204 120.500 -0.140 0.000 2.888 49 R HA 0.885 5.224 4.340 -0.000 0.000 0.264 49 R C -1.107 175.014 176.300 -0.299 0.000 1.045 49 R CA -1.053 54.906 56.100 -0.235 0.000 0.962 49 R CB 2.633 32.864 30.300 -0.114 0.000 1.210 49 R HN 0.971 nan 8.270 nan 0.000 0.479 50 A N 1.471 123.938 122.820 -0.588 0.000 2.512 50 A HA 0.650 4.969 4.320 -0.000 0.000 0.294 50 A C -1.692 175.482 177.584 -0.683 0.000 1.054 50 A CA -0.627 51.155 52.037 -0.423 0.000 0.756 50 A CB 0.820 19.664 19.000 -0.260 0.000 1.293 50 A HN 0.498 nan 8.150 nan 0.000 0.395 51 F N 0.428 120.401 119.950 0.038 0.000 2.603 51 F HA 0.561 5.088 4.527 0.000 0.000 0.317 51 F C -0.153 175.766 175.800 0.198 0.000 1.066 51 F CA -0.780 57.284 58.000 0.106 0.000 0.941 51 F CB 1.418 40.425 39.000 0.012 0.000 1.291 51 F HN 0.636 nan 8.300 nan 0.000 0.472 52 Y N 1.395 121.875 120.300 0.300 0.000 2.511 52 Y HA 0.114 4.664 4.550 -0.001 0.000 0.332 52 Y C 1.572 177.500 175.900 0.047 0.000 1.177 52 Y CA -0.091 58.022 58.100 0.022 0.000 1.422 52 Y CB 1.166 39.436 38.460 -0.317 0.000 1.271 52 Y HN 0.669 nan 8.280 nan 0.000 0.550 53 S N 1.370 116.858 115.700 -0.354 0.000 2.447 53 S HA -0.079 4.391 4.470 -0.000 0.000 0.233 53 S C 0.040 174.515 174.600 -0.207 0.000 1.006 53 S CA 0.719 58.775 58.200 -0.239 0.000 0.957 53 S CB -0.171 62.886 63.200 -0.238 0.000 0.773 53 S HN 0.643 nan 8.310 nan 0.000 0.507 54 D N 3.592 123.815 120.400 -0.295 0.000 2.256 54 D HA 0.422 5.062 4.640 -0.000 0.000 0.250 54 D C -2.317 174.073 176.300 0.149 0.000 1.093 54 D CA -1.745 52.234 54.000 -0.036 0.000 0.882 54 D CB 1.112 41.964 40.800 0.085 0.000 1.185 54 D HN 0.200 nan 8.370 nan 0.000 0.437 55 P HA 0.301 nan 4.420 nan 0.000 0.277 55 P C -0.526 177.042 177.300 0.448 0.000 1.240 55 P CA -0.530 62.702 63.100 0.220 0.000 0.798 55 P CB 1.147 32.921 31.700 0.124 0.000 0.979 56 I N 1.283 122.085 120.570 0.387 0.000 2.437 56 I HA 0.238 4.407 4.170 -0.000 0.000 0.298 56 I C 0.775 177.021 176.117 0.216 0.000 0.984 56 I CA -0.462 61.030 61.300 0.320 0.000 1.214 56 I CB 1.465 39.529 38.000 0.106 0.000 1.365 56 I HN 0.329 nan 8.210 nan 0.000 0.469 57 Q N 5.436 125.170 119.800 -0.110 0.000 2.322 57 Q HA 0.289 4.628 4.340 -0.000 0.000 0.256 57 Q C 0.029 175.957 176.000 -0.119 0.000 0.960 57 Q CA -0.289 55.123 55.803 -0.653 0.000 0.934 57 Q CB 0.796 28.845 28.738 -1.149 0.000 1.200 57 Q HN 0.569 nan 8.270 nan 0.000 0.435 58 I N 2.605 123.105 120.570 -0.116 0.000 2.385 58 I HA 0.041 4.211 4.170 -0.000 0.000 0.244 58 I C 0.860 177.048 176.117 0.117 0.000 1.089 58 I CA 1.179 62.482 61.300 0.005 0.000 1.410 58 I CB -0.896 37.107 38.000 0.004 0.000 1.117 58 I HN 0.582 nan 8.210 nan 0.000 0.429 59 K N 1.204 121.648 120.400 0.073 0.000 2.265 59 K HA 0.263 4.582 4.320 -0.000 0.000 0.267 59 K C 0.342 176.974 176.600 0.054 0.000 0.994 59 K CA -0.001 56.367 56.287 0.135 0.000 0.860 59 K CB 0.679 33.219 32.500 0.067 0.000 1.099 59 K HN 0.310 nan 8.250 nan 0.000 0.448 60 D N 0.450 120.904 120.400 0.091 0.000 2.213 60 D HA -0.044 4.596 4.640 -0.000 0.000 0.205 60 D C 1.116 177.359 176.300 -0.094 0.000 0.961 60 D CA 2.135 55.999 54.000 -0.227 0.000 0.853 60 D CB 0.560 41.022 40.800 -0.564 0.000 0.967 60 D HN 0.504 nan 8.370 nan 0.000 0.496 61 S N -3.118 112.579 115.700 -0.005 0.000 7.248 61 S HA -0.021 4.448 4.470 -0.000 0.000 0.048 61 S C 1.280 175.906 174.600 0.044 0.000 1.475 61 S CA 0.768 58.977 58.200 0.014 0.000 1.051 61 S CB -1.460 61.738 63.200 -0.003 0.000 1.151 61 S HN 0.339 nan 8.310 nan 0.000 0.540 62 N N 0.893 119.622 118.700 0.049 0.000 2.407 62 N HA 0.363 5.103 4.740 -0.000 0.000 0.182 62 N C 0.319 175.892 175.510 0.105 0.000 1.079 62 N CA 0.636 53.726 53.050 0.067 0.000 0.882 62 N CB -0.275 38.241 38.487 0.049 0.000 1.106 62 N HN 0.509 nan 8.380 nan 0.000 0.461 63 N N 0.631 119.412 118.700 0.136 0.000 2.455 63 N HA 0.395 5.134 4.740 -0.000 0.000 0.280 63 N C -1.004 174.730 175.510 0.374 0.000 1.055 63 N CA -0.155 53.035 53.050 0.232 0.000 0.961 63 N CB 1.502 40.150 38.487 0.268 0.000 1.121 63 N HN 0.129 nan 8.380 nan 0.000 0.476 64 V N 1.743 121.800 119.914 0.238 0.000 2.612 64 V HA 0.710 4.830 4.120 -0.000 0.000 0.301 64 V C 0.542 176.539 176.094 -0.162 0.000 1.046 64 V CA -1.134 61.249 62.300 0.139 0.000 0.946 64 V CB 1.176 33.092 31.823 0.154 0.000 1.003 64 V HN 0.830 nan 8.190 nan 0.000 0.459 65 A N 2.988 125.514 122.820 -0.490 0.000 2.322 65 A HA 0.702 5.022 4.320 -0.000 0.000 0.269 65 A C 0.287 177.790 177.584 -0.136 0.000 1.094 65 A CA -0.207 51.361 52.037 -0.781 0.000 0.807 65 A CB 0.539 18.956 19.000 -0.970 0.000 1.047 65 A HN 0.761 nan 8.150 nan 0.000 0.487 66 S N -0.185 115.434 115.700 -0.134 0.000 2.593 66 S HA 0.812 5.282 4.470 -0.000 0.000 0.297 66 S C -0.752 173.878 174.600 0.049 0.000 1.112 66 S CA -0.272 57.922 58.200 -0.011 0.000 1.043 66 S CB 0.893 64.016 63.200 -0.130 0.000 1.054 66 S HN 0.874 nan 8.310 nan 0.000 0.516 67 F N 0.370 120.273 119.950 -0.078 0.000 2.645 67 F HA 0.784 5.311 4.527 -0.000 0.000 0.310 67 F C -1.155 174.503 175.800 -0.237 0.000 1.102 67 F CA -1.055 56.786 58.000 -0.264 0.000 0.952 67 F CB 1.347 40.140 39.000 -0.345 0.000 1.326 67 F HN 0.490 nan 8.300 nan 0.000 0.456 68 N N 0.417 119.018 118.700 -0.164 0.000 2.371 68 N HA 0.544 5.284 4.740 -0.000 0.000 0.291 68 N C -1.915 173.546 175.510 -0.082 0.000 1.053 68 N CA -0.165 52.803 53.050 -0.136 0.000 0.870 68 N CB 2.208 40.610 38.487 -0.142 0.000 1.503 68 N HN 0.959 nan 8.380 nan 0.000 0.485 69 T N 2.049 116.668 114.554 0.107 0.000 2.881 69 T HA 0.498 4.848 4.350 -0.000 0.000 0.290 69 T C -1.543 173.347 174.700 0.317 0.000 1.000 69 T CA -0.623 61.644 62.100 0.278 0.000 0.978 69 T CB 0.393 69.557 68.868 0.493 0.000 0.997 69 T HN 0.581 nan 8.240 nan 0.000 0.443 70 N N 3.141 122.085 118.700 0.408 0.000 2.258 70 N HA 0.767 5.507 4.740 -0.000 0.000 0.299 70 N C -1.407 174.456 175.510 0.589 0.000 1.047 70 N CA -0.780 52.453 53.050 0.305 0.000 0.814 70 N CB 1.798 40.384 38.487 0.164 0.000 1.413 70 N HN 0.571 nan 8.380 nan 0.000 0.478 71 F N -1.356 118.797 119.950 0.339 0.000 2.654 71 F HA 0.626 5.152 4.527 -0.000 0.000 0.308 71 F C -0.645 175.296 175.800 0.235 0.000 1.108 71 F CA -0.988 57.248 58.000 0.393 0.000 0.957 71 F CB 1.529 40.815 39.000 0.477 0.000 1.309 71 F HN 0.205 nan 8.300 nan 0.000 0.446 72 T N 1.607 116.380 114.554 0.365 0.000 2.876 72 T HA 0.825 5.175 4.350 -0.000 0.000 0.289 72 T C -1.240 173.599 174.700 0.233 0.000 1.014 72 T CA -0.485 61.688 62.100 0.121 0.000 0.986 72 T CB 1.319 70.199 68.868 0.020 0.000 1.021 72 T HN 1.111 nan 8.240 nan 0.000 0.458 73 F N 1.962 121.934 119.950 0.036 0.000 2.692 73 F HA 0.896 5.423 4.527 -0.000 0.000 0.320 73 F C -1.863 173.943 175.800 0.010 0.000 1.123 73 F CA -1.737 56.272 58.000 0.014 0.000 0.961 73 F CB 1.215 40.206 39.000 -0.015 0.000 1.383 73 F HN 0.569 nan 8.300 nan 0.000 0.483 74 I N 1.870 122.607 120.570 0.278 0.000 2.619 74 I HA 0.522 4.692 4.170 -0.000 0.000 0.292 74 I C -1.338 174.924 176.117 0.242 0.000 1.100 74 I CA -0.749 60.655 61.300 0.172 0.000 1.043 74 I CB 2.357 40.406 38.000 0.082 0.000 1.239 74 I HN 0.553 nan 8.210 nan 0.000 0.420 75 I N 5.536 126.237 120.570 0.218 0.000 2.410 75 I HA 0.456 4.626 4.170 -0.000 0.000 0.286 75 I C -0.484 175.656 176.117 0.038 0.000 1.009 75 I CA -0.577 60.767 61.300 0.074 0.000 1.111 75 I CB 1.644 39.696 38.000 0.087 0.000 1.262 75 I HN 0.552 nan 8.210 nan 0.000 0.443 76 R N 6.417 126.901 120.500 -0.026 0.000 2.494 76 R HA 0.884 5.223 4.340 -0.000 0.000 0.305 76 R C -1.837 174.439 176.300 -0.041 0.000 0.959 76 R CA -0.341 55.752 56.100 -0.012 0.000 0.864 76 R CB 1.969 32.267 30.300 -0.003 0.000 1.159 76 R HN 0.698 nan 8.270 nan 0.000 0.446 77 A N 3.539 126.347 122.820 -0.021 0.000 2.469 77 A HA 0.357 4.677 4.320 -0.000 0.000 0.299 77 A C 0.424 177.998 177.584 -0.017 0.000 1.098 77 A CA -0.734 51.289 52.037 -0.025 0.000 0.737 77 A CB 1.782 20.773 19.000 -0.014 0.000 1.312 77 A HN 0.887 nan 8.150 nan 0.000 0.414 78 K N -0.068 120.320 120.400 -0.019 0.000 2.057 78 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 78 K C 0.055 176.642 176.600 -0.022 0.000 1.050 78 K CA 1.529 57.805 56.287 -0.018 0.000 0.935 78 K CB 0.049 32.539 32.500 -0.017 0.000 0.715 78 K HN 0.630 nan 8.250 nan 0.000 0.439 79 N N 0.573 119.257 118.700 -0.027 0.000 2.640 79 N HA 0.075 4.815 4.740 -0.000 0.000 0.262 79 N C -0.544 174.939 175.510 -0.045 0.000 1.174 79 N CA -0.096 52.931 53.050 -0.039 0.000 0.791 79 N CB 1.313 39.772 38.487 -0.047 0.000 1.279 79 N HN 0.079 nan 8.380 nan 0.000 0.535 80 Q N 0.258 120.043 119.800 -0.026 0.000 2.297 80 Q HA -0.075 4.265 4.340 -0.000 0.000 0.208 80 Q C 1.072 177.034 176.000 -0.064 0.000 0.981 80 Q CA 1.470 57.284 55.803 0.018 0.000 0.876 80 Q CB 0.190 28.964 28.738 0.060 0.000 0.921 80 Q HN 0.532 nan 8.270 nan 0.000 0.446 81 S N 0.845 116.431 115.700 -0.190 0.000 2.423 81 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 81 S C 1.719 175.988 174.600 -0.551 0.000 1.014 81 S CA 0.997 58.935 58.200 -0.437 0.000 0.965 81 S CB -0.070 62.988 63.200 -0.236 0.000 0.785 81 S HN 0.547 nan 8.310 nan 0.000 0.495 82 I N -1.845 118.572 120.570 -0.255 0.000 4.050 82 I HA 0.375 4.545 4.170 -0.000 0.000 0.327 82 I C -0.079 176.010 176.117 -0.047 0.000 1.473 82 I CA -0.492 60.719 61.300 -0.148 0.000 1.124 82 I CB 0.297 38.243 38.000 -0.089 0.000 1.129 82 I HN -0.146 nan 8.210 nan 0.000 0.428 83 S N 2.233 117.926 115.700 -0.012 0.000 2.566 83 S HA 0.614 5.083 4.470 -0.000 0.000 0.280 83 S C 0.266 174.903 174.600 0.062 0.000 1.343 83 S CA 0.265 58.486 58.200 0.036 0.000 1.036 83 S CB 0.924 64.184 63.200 0.099 0.000 0.866 83 S HN 0.663 nan 8.310 nan 0.000 0.526 84 A N 1.403 124.180 122.820 -0.072 0.000 2.594 84 A HA 0.696 5.015 4.320 -0.000 0.000 0.295 84 A C -1.107 176.430 177.584 -0.079 0.000 1.071 84 A CA -0.579 51.266 52.037 -0.319 0.000 0.685 84 A CB 0.660 18.975 19.000 -1.141 0.000 1.285 84 A HN 0.780 nan 8.150 nan 0.000 0.405 85 Y N 0.750 121.100 120.300 0.083 0.000 2.638 85 Y HA 0.524 5.074 4.550 -0.000 0.000 0.275 85 Y C 1.459 177.406 175.900 0.078 0.000 1.122 85 Y CA 0.708 58.815 58.100 0.011 0.000 1.266 85 Y CB 1.161 39.527 38.460 -0.157 0.000 1.317 85 Y HN 1.385 nan 8.280 nan 0.000 0.501 86 G N -0.043 108.884 108.800 0.212 0.000 2.359 86 G HA2 0.255 4.214 3.960 -0.000 0.000 0.293 86 G HA3 0.255 4.214 3.960 -0.000 0.000 0.293 86 G C -2.411 172.425 174.900 -0.107 0.000 1.300 86 G CA -0.902 44.259 45.100 0.103 0.000 0.888 86 G HN 0.046 nan 8.290 nan 0.000 0.541 87 L N 0.022 121.225 121.223 -0.033 0.000 2.381 87 L HA 0.898 5.238 4.340 -0.000 0.000 0.268 87 L C 0.071 177.003 176.870 0.104 0.000 0.997 87 L CA -0.796 53.995 54.840 -0.081 0.000 0.818 87 L CB 1.840 43.783 42.059 -0.194 0.000 1.310 87 L HN 1.474 nan 8.230 nan 0.000 0.416 88 A N 3.541 126.401 122.820 0.067 0.000 2.386 88 A HA 0.631 4.951 4.320 -0.000 0.000 0.311 88 A C -1.619 176.059 177.584 0.155 0.000 1.068 88 A CA -0.423 51.673 52.037 0.099 0.000 0.743 88 A CB 1.271 20.259 19.000 -0.020 0.000 1.258 88 A HN 0.606 nan 8.150 nan 0.000 0.429 89 F N 2.490 122.476 119.950 0.061 0.000 2.411 89 F HA 0.722 5.249 4.527 -0.000 0.000 0.352 89 F C 0.036 175.805 175.800 -0.052 0.000 1.123 89 F CA -0.392 57.530 58.000 -0.130 0.000 1.044 89 F CB 1.078 40.099 39.000 0.035 0.000 1.135 89 F HN 0.818 nan 8.300 nan 0.000 0.461 90 A N 6.715 129.040 122.820 -0.825 0.000 2.498 90 A HA 0.777 5.097 4.320 -0.000 0.000 0.298 90 A C -1.850 175.442 177.584 -0.486 0.000 1.075 90 A CA -0.852 50.900 52.037 -0.476 0.000 0.714 90 A CB 1.478 20.353 19.000 -0.210 0.000 1.299 90 A HN 0.764 nan 8.150 nan 0.000 0.407 91 L N 2.408 123.469 121.223 -0.270 0.000 2.287 91 L HA 0.664 5.004 4.340 -0.000 0.000 0.287 91 L C -0.230 176.551 176.870 -0.150 0.000 1.022 91 L CA -0.825 53.898 54.840 -0.196 0.000 0.814 91 L CB 0.993 42.979 42.059 -0.121 0.000 1.217 91 L HN 0.691 nan 8.230 nan 0.000 0.420 92 V N 1.519 121.312 119.914 -0.201 0.000 3.141 92 V HA 0.704 4.824 4.120 -0.000 0.000 0.312 92 V C -2.718 173.246 176.094 -0.217 0.000 1.157 92 V CA -2.787 59.376 62.300 -0.228 0.000 1.041 92 V CB 1.970 33.593 31.823 -0.333 0.000 1.071 92 V HN 0.435 nan 8.190 nan 0.000 0.441 93 P HA 0.086 nan 4.420 nan 0.000 0.267 93 P C 1.072 178.264 177.300 -0.180 0.000 1.200 93 P CA 0.683 63.708 63.100 -0.124 0.000 0.772 93 P CB 0.851 32.489 31.700 -0.104 0.000 0.855 94 V N 1.894 121.736 119.914 -0.120 0.000 2.324 94 V HA -0.237 3.883 4.120 -0.000 0.000 0.250 94 V C 0.863 176.843 176.094 -0.190 0.000 1.060 94 V CA 2.203 64.415 62.300 -0.146 0.000 1.042 94 V CB -0.788 30.991 31.823 -0.074 0.000 0.650 94 V HN 0.448 nan 8.190 nan 0.000 0.450 95 N N 0.864 119.471 118.700 -0.156 0.000 2.338 95 N HA 0.218 4.958 4.740 -0.000 0.000 0.251 95 N C 0.080 175.499 175.510 -0.153 0.000 1.199 95 N CA 0.636 53.596 53.050 -0.149 0.000 0.879 95 N CB 0.449 38.875 38.487 -0.102 0.000 1.159 95 N HN 0.784 nan 8.380 nan 0.000 0.514 96 S N 1.570 117.154 115.700 -0.193 0.000 2.558 96 S HA 0.166 4.636 4.470 -0.000 0.000 0.293 96 S C -2.144 172.373 174.600 -0.138 0.000 1.292 96 S CA -0.688 57.414 58.200 -0.162 0.000 1.063 96 S CB 0.630 63.721 63.200 -0.182 0.000 0.831 96 S HN 0.175 nan 8.310 nan 0.000 0.499 97 P HA 0.448 nan 4.420 nan 0.000 0.281 97 P C -2.889 174.379 177.300 -0.052 0.000 1.264 97 P CA -2.372 60.693 63.100 -0.058 0.000 0.824 97 P CB -0.037 31.630 31.700 -0.054 0.000 1.092 98 P HA 0.056 nan 4.420 nan 0.000 0.268 98 P C 0.101 177.367 177.300 -0.057 0.000 1.204 98 P CA 0.249 63.328 63.100 -0.034 0.000 0.768 98 P CB 0.629 32.314 31.700 -0.025 0.000 0.842 99 Q N 2.252 122.008 119.800 -0.073 0.000 2.997 99 Q HA 0.237 4.577 4.340 -0.000 0.000 0.214 99 Q C 0.562 176.514 176.000 -0.079 0.000 1.153 99 Q CA -0.129 55.623 55.803 -0.084 0.000 0.478 99 Q CB -0.240 28.441 28.738 -0.096 0.000 5.352 99 Q HN 0.404 nan 8.270 nan 0.000 0.337 100 K N 1.183 121.525 120.400 -0.097 0.000 2.168 100 K HA 0.199 4.518 4.320 -0.000 0.000 0.258 100 K C 0.344 176.960 176.600 0.027 0.000 1.010 100 K CA -0.108 56.127 56.287 -0.087 0.000 0.929 100 K CB 0.678 32.997 32.500 -0.302 0.000 0.998 100 K HN 0.207 nan 8.250 nan 0.000 0.479 101 K N 1.535 121.946 120.400 0.018 0.000 2.761 101 K HA 0.094 4.414 4.320 -0.000 0.000 0.286 101 K C 0.283 176.840 176.600 -0.071 0.000 1.019 101 K CA -0.429 55.842 56.287 -0.027 0.000 1.070 101 K CB 0.269 32.741 32.500 -0.046 0.000 1.387 101 K HN 0.554 nan 8.250 nan 0.000 0.509 102 Q N 0.347 119.955 119.800 -0.319 0.000 1.261 102 Q HA -0.274 4.066 4.340 -0.000 0.000 0.355 102 Q C 0.928 176.281 176.000 -1.078 0.000 0.992 102 Q CA 1.926 57.177 55.803 -0.921 0.000 0.652 102 Q CB -0.775 27.596 28.738 -0.612 0.000 4.564 102 Q HN 0.840 nan 8.270 nan 0.000 0.538 103 E N 0.803 120.309 120.200 -1.156 0.000 2.501 103 E HA -0.159 4.191 4.350 -0.000 0.000 0.203 103 E C 0.968 177.246 176.600 -0.536 0.000 1.072 103 E CA 1.386 57.363 56.400 -0.704 0.000 0.885 103 E CB -0.197 29.213 29.700 -0.484 0.000 0.813 103 E HN 0.490 nan 8.360 nan 0.000 0.556 104 F N 0.223 120.066 119.950 -0.178 0.000 2.765 104 F HA 0.250 4.776 4.527 -0.000 0.000 0.302 104 F C 1.061 176.828 175.800 -0.056 0.000 1.111 104 F CA -0.236 57.745 58.000 -0.031 0.000 1.359 104 F CB -0.153 38.834 39.000 -0.021 0.000 1.097 104 F HN -0.137 nan 8.300 nan 0.000 0.577 105 L N 0.676 121.884 121.223 -0.025 0.000 3.991 105 L HA -0.315 4.024 4.340 -0.000 0.000 0.437 105 L C 1.494 178.322 176.870 -0.070 0.000 1.138 105 L CA 0.889 55.689 54.840 -0.067 0.000 0.964 105 L CB -1.835 40.192 42.059 -0.054 0.000 1.867 105 L HN 0.509 nan 8.230 nan 0.000 1.028 106 G N -0.787 107.994 108.800 -0.032 0.000 2.166 106 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.260 106 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.260 106 G C 0.744 175.581 174.900 -0.106 0.000 0.986 106 G CA 0.758 45.824 45.100 -0.057 0.000 0.683 106 G HN 0.902 nan 8.290 nan 0.000 0.527 107 I N -4.931 115.531 120.570 -0.180 0.000 4.288 107 I HA 0.614 4.784 4.170 -0.000 0.000 0.331 107 I C 0.325 176.026 176.117 -0.693 0.000 1.322 107 I CA -0.384 60.651 61.300 -0.441 0.000 1.149 107 I CB 0.236 37.880 38.000 -0.595 0.000 1.112 107 I HN -0.061 nan 8.210 nan 0.000 0.403 108 F N 1.238 121.241 119.950 0.088 0.000 2.640 108 F HA 0.511 5.038 4.527 -0.001 0.000 0.324 108 F C 0.881 176.661 175.800 -0.034 0.000 1.077 108 F CA -1.083 56.975 58.000 0.096 0.000 0.965 108 F CB 1.137 40.275 39.000 0.230 0.000 1.351 108 F HN -0.211 nan 8.300 nan 0.000 0.487 109 N N -1.106 117.643 118.700 0.083 0.000 2.360 109 N HA 0.065 4.804 4.740 -0.000 0.000 0.211 109 N C -0.185 175.035 175.510 -0.483 0.000 1.147 109 N CA 0.471 53.327 53.050 -0.324 0.000 0.866 109 N CB 1.307 39.694 38.487 -0.167 0.000 1.206 109 N HN 0.687 nan 8.380 nan 0.000 0.478 110 T N -2.190 112.323 114.554 -0.069 0.000 2.887 110 T HA 0.358 4.708 4.350 -0.000 0.000 0.292 110 T C 0.288 175.207 174.700 0.364 0.000 1.087 110 T CA -0.685 61.459 62.100 0.072 0.000 1.009 110 T CB 2.021 70.898 68.868 0.015 0.000 1.203 110 T HN -0.235 nan 8.240 nan 0.000 0.518 111 N N 0.496 119.388 118.700 0.319 0.000 2.461 111 N HA 0.100 4.840 4.740 -0.000 0.000 0.188 111 N C -0.244 175.470 175.510 0.341 0.000 1.134 111 N CA 0.192 53.434 53.050 0.321 0.000 0.878 111 N CB -0.132 38.495 38.487 0.232 0.000 0.972 111 N HN 0.584 nan 8.380 nan 0.000 0.456 112 N N 0.342 119.131 118.700 0.149 0.000 2.459 112 N HA 0.348 5.088 4.740 -0.000 0.000 0.288 112 N C -2.761 172.429 175.510 -0.533 0.000 1.186 112 N CA -1.491 51.500 53.050 -0.099 0.000 0.917 112 N CB 1.088 39.519 38.487 -0.094 0.000 1.219 112 N HN -0.129 nan 8.380 nan 0.000 0.525 113 P HA 0.006 nan 4.420 nan 0.000 0.266 113 P C -0.987 176.016 177.300 -0.496 0.000 1.195 113 P CA 0.482 62.857 63.100 -1.208 0.000 0.768 113 P CB 0.428 31.576 31.700 -0.920 0.000 0.838 114 E N 4.100 124.095 120.200 -0.342 0.000 3.406 114 E HA 0.108 4.458 4.350 -0.000 0.000 0.210 114 E C -1.472 175.088 176.600 -0.067 0.000 1.167 114 E CA -1.497 54.828 56.400 -0.126 0.000 1.132 114 E CB 0.516 30.226 29.700 0.017 0.000 1.309 114 E HN 0.431 nan 8.360 nan 0.000 0.424 115 P HA -0.190 nan 4.420 nan 0.000 0.218 115 P C 0.281 177.571 177.300 -0.016 0.000 1.146 115 P CA 1.184 64.251 63.100 -0.054 0.000 0.813 115 P CB 0.238 31.899 31.700 -0.066 0.000 0.778 116 N N -0.886 117.805 118.700 -0.014 0.000 2.295 116 N HA 0.229 4.969 4.740 -0.000 0.000 0.221 116 N C 1.409 176.929 175.510 0.017 0.000 1.129 116 N CA 0.025 53.073 53.050 -0.002 0.000 0.836 116 N CB -0.019 38.460 38.487 -0.015 0.000 1.040 116 N HN 0.067 nan 8.380 nan 0.000 0.494 117 A N 0.644 123.499 122.820 0.058 0.000 2.030 117 A HA 0.061 4.381 4.320 -0.000 0.000 0.215 117 A C 0.965 178.578 177.584 0.048 0.000 1.164 117 A CA 0.235 52.327 52.037 0.093 0.000 0.697 117 A CB 0.206 19.378 19.000 0.287 0.000 0.827 117 A HN 0.180 nan 8.150 nan 0.000 0.457 118 R N -0.044 120.486 120.500 0.051 0.000 3.627 118 R HA -0.126 4.213 4.340 -0.000 0.000 0.281 118 R C -0.772 175.539 176.300 0.019 0.000 1.140 118 R CA 1.273 57.388 56.100 0.026 0.000 0.761 118 R CB -3.102 27.200 30.300 0.003 0.000 1.181 118 R HN 0.507 nan 8.270 nan 0.000 0.472 119 T N -0.510 114.083 114.554 0.066 0.000 2.856 119 T HA 0.623 4.973 4.350 -0.000 0.000 0.283 119 T C -0.239 174.525 174.700 0.108 0.000 1.008 119 T CA -0.509 61.610 62.100 0.032 0.000 0.997 119 T CB 2.913 71.728 68.868 -0.087 0.000 0.992 119 T HN -0.048 nan 8.240 nan 0.000 0.454 120 V N 2.017 121.968 119.914 0.061 0.000 2.569 120 V HA 0.824 4.944 4.120 -0.000 0.000 0.301 120 V C -0.662 175.499 176.094 0.111 0.000 1.044 120 V CA -0.496 61.864 62.300 0.099 0.000 0.874 120 V CB 1.523 33.434 31.823 0.147 0.000 1.002 120 V HN 1.141 nan 8.190 nan 0.000 0.424 121 A N 4.533 127.433 122.820 0.133 0.000 2.539 121 A HA 0.907 5.227 4.320 -0.000 0.000 0.296 121 A C -1.461 176.271 177.584 0.247 0.000 1.073 121 A CA -0.572 51.550 52.037 0.142 0.000 0.700 121 A CB 2.309 21.336 19.000 0.045 0.000 1.296 121 A HN 0.652 nan 8.150 nan 0.000 0.405 122 V N 2.147 122.214 119.914 0.255 0.000 2.326 122 V HA 0.372 4.492 4.120 -0.000 0.000 0.281 122 V C -0.414 175.579 176.094 -0.168 0.000 1.015 122 V CA -0.423 61.966 62.300 0.149 0.000 0.823 122 V CB 1.101 33.052 31.823 0.213 0.000 1.009 122 V HN 0.643 nan 8.190 nan 0.000 0.436 123 V N 5.508 125.317 119.914 -0.175 0.000 2.439 123 V HA 0.416 4.536 4.120 -0.000 0.000 0.282 123 V C -0.248 175.638 176.094 -0.345 0.000 1.039 123 V CA -0.388 61.787 62.300 -0.208 0.000 0.913 123 V CB 1.252 33.062 31.823 -0.021 0.000 0.983 123 V HN 0.680 nan 8.190 nan 0.000 0.460 124 F N 3.364 123.388 119.950 0.123 0.000 2.425 124 F HA 0.319 4.846 4.527 -0.000 0.000 0.354 124 F C 0.987 176.695 175.800 -0.154 0.000 1.162 124 F CA -0.697 57.344 58.000 0.069 0.000 1.250 124 F CB -0.144 38.861 39.000 0.008 0.000 1.579 124 F HN 0.424 nan 8.300 nan 0.000 0.589 125 N N 1.575 120.342 118.700 0.111 0.000 2.406 125 N HA -0.044 4.696 4.740 -0.000 0.000 0.269 125 N C 1.218 176.779 175.510 0.086 0.000 1.210 125 N CA 0.441 53.565 53.050 0.124 0.000 0.966 125 N CB 0.758 39.350 38.487 0.176 0.000 1.293 125 N HN 0.433 nan 8.380 nan 0.000 0.491 126 T N 2.887 117.437 114.554 -0.006 0.000 3.023 126 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 126 T C 1.404 176.232 174.700 0.213 0.000 1.093 126 T CA 0.390 62.482 62.100 -0.013 0.000 1.129 126 T CB -0.162 68.684 68.868 -0.036 0.000 0.899 126 T HN 0.500 nan 8.240 nan 0.000 0.491 127 F N 2.235 122.233 119.950 0.079 0.000 2.060 127 F HA 0.126 4.653 4.527 -0.000 0.000 0.295 127 F C 1.872 177.748 175.800 0.127 0.000 1.120 127 F CA 1.198 59.250 58.000 0.087 0.000 1.205 127 F CB -0.077 38.994 39.000 0.118 0.000 0.986 127 F HN -0.109 nan 8.300 nan 0.000 0.470 128 K N 0.624 121.058 120.400 0.056 0.000 2.444 128 K HA 0.005 4.325 4.320 -0.000 0.000 0.193 128 K C -0.024 176.576 176.600 -0.001 0.000 1.024 128 K CA 0.310 56.546 56.287 -0.085 0.000 1.077 128 K CB -1.006 31.485 32.500 -0.016 0.000 0.833 128 K HN 0.487 nan 8.250 nan 0.000 0.517 129 N N 1.497 120.224 118.700 0.045 0.000 2.726 129 N HA -0.226 4.514 4.740 -0.000 0.000 0.253 129 N C -1.044 174.592 175.510 0.210 0.000 1.059 129 N CA 0.397 53.498 53.050 0.086 0.000 0.701 129 N CB -0.330 38.043 38.487 -0.191 0.000 0.899 129 N HN 0.379 nan 8.380 nan 0.000 0.548 130 R N -0.827 119.882 120.500 0.349 0.000 2.741 130 R HA 0.574 4.914 4.340 -0.000 0.000 0.274 130 R C -1.207 175.342 176.300 0.415 0.000 1.029 130 R CA -0.951 55.325 56.100 0.294 0.000 0.880 130 R CB 0.832 31.223 30.300 0.152 0.000 1.264 130 R HN -0.001 nan 8.270 nan 0.000 0.465 131 I N 1.588 122.339 120.570 0.303 0.000 2.339 131 I HA 0.321 4.491 4.170 -0.000 0.000 0.290 131 I C -0.876 175.323 176.117 0.137 0.000 0.994 131 I CA -0.744 60.707 61.300 0.252 0.000 1.191 131 I CB 1.577 39.723 38.000 0.243 0.000 1.343 131 I HN 0.442 nan 8.210 nan 0.000 0.458 132 D N 5.891 126.340 120.400 0.083 0.000 2.198 132 D HA 0.339 4.979 4.640 -0.000 0.000 0.247 132 D C -0.946 175.444 176.300 0.150 0.000 1.010 132 D CA -0.148 53.909 54.000 0.095 0.000 0.880 132 D CB 2.430 43.265 40.800 0.058 0.000 1.209 132 D HN 0.215 nan 8.370 nan 0.000 0.451 133 F N 2.242 122.226 119.950 0.058 0.000 2.366 133 F HA 0.303 4.830 4.527 -0.001 0.000 0.366 133 F C -1.034 174.843 175.800 0.128 0.000 1.096 133 F CA -0.950 57.106 58.000 0.094 0.000 1.060 133 F CB 0.674 39.750 39.000 0.127 0.000 1.282 133 F HN -0.032 nan 8.300 nan 0.000 0.450 134 D N 5.600 125.758 120.400 -0.403 0.000 2.168 134 D HA 0.317 4.957 4.640 -0.000 0.000 0.246 134 D C -0.622 175.383 176.300 -0.491 0.000 1.050 134 D CA -0.238 53.556 54.000 -0.344 0.000 0.857 134 D CB 1.710 42.521 40.800 0.017 0.000 1.169 134 D HN 0.452 nan 8.370 nan 0.000 0.453 135 K N 2.278 122.435 120.400 -0.405 0.000 2.521 135 K HA 0.182 4.502 4.320 -0.000 0.000 0.248 135 K C -0.327 176.228 176.600 -0.075 0.000 0.978 135 K CA -0.574 55.547 56.287 -0.276 0.000 0.947 135 K CB 0.806 33.076 32.500 -0.383 0.000 1.165 135 K HN 0.285 nan 8.250 nan 0.000 0.445 136 N N 1.803 120.539 118.700 0.060 0.000 2.686 136 N HA -0.262 4.478 4.740 -0.000 0.000 0.249 136 N C -1.060 174.331 175.510 -0.199 0.000 1.082 136 N CA 1.297 54.375 53.050 0.046 0.000 0.725 136 N CB -0.638 37.860 38.487 0.019 0.000 1.009 136 N HN 0.398 nan 8.380 nan 0.000 0.545 137 F N -0.292 119.202 119.950 -0.759 0.000 2.639 137 F HA 0.238 4.765 4.527 -0.000 0.000 0.320 137 F C 0.433 175.706 175.800 -0.878 0.000 1.128 137 F CA -1.272 56.298 58.000 -0.716 0.000 1.037 137 F CB 0.365 39.172 39.000 -0.323 0.000 1.288 137 F HN -0.194 nan 8.300 nan 0.000 0.463 138 I N 2.819 123.177 120.570 -0.353 0.000 2.614 138 I HA -0.014 4.155 4.170 -0.000 0.000 0.258 138 I C 0.900 176.835 176.117 -0.304 0.000 1.189 138 I CA 1.112 62.258 61.300 -0.256 0.000 1.462 138 I CB -0.524 37.501 38.000 0.042 0.000 1.092 138 I HN 0.206 nan 8.210 nan 0.000 0.442 139 K N 3.342 123.325 120.400 -0.695 0.000 2.276 139 K HA 0.275 4.595 4.320 -0.000 0.000 0.285 139 K C -2.408 173.871 176.600 -0.536 0.000 1.062 139 K CA -2.212 53.649 56.287 -0.710 0.000 0.918 139 K CB 0.636 32.451 32.500 -1.142 0.000 1.055 139 K HN 0.007 nan 8.250 nan 0.000 0.477 140 P HA -0.088 nan 4.420 nan 0.000 0.267 140 P C 0.188 177.449 177.300 -0.066 0.000 1.200 140 P CA 0.022 63.043 63.100 -0.132 0.000 0.772 140 P CB 0.466 32.141 31.700 -0.042 0.000 0.855 141 Y N 3.282 123.498 120.300 -0.140 0.000 2.286 141 Y HA 0.189 4.739 4.550 -0.000 0.000 0.293 141 Y C 0.518 176.451 175.900 0.056 0.000 1.124 141 Y CA 0.985 59.060 58.100 -0.041 0.000 1.178 141 Y CB 0.424 38.855 38.460 -0.047 0.000 1.010 141 Y HN 0.188 nan 8.280 nan 0.000 0.536 142 V N 1.874 121.874 119.914 0.144 0.000 2.852 142 V HA 0.364 4.484 4.120 -0.000 0.000 0.300 142 V C -1.945 174.227 176.094 0.129 0.000 1.205 142 V CA -0.450 61.899 62.300 0.082 0.000 0.940 142 V CB 1.774 33.687 31.823 0.150 0.000 1.047 142 V HN 0.509 nan 8.190 nan 0.000 0.429 143 N N 3.397 122.137 118.700 0.065 0.000 2.284 143 N HA 0.788 5.528 4.740 -0.000 0.000 0.289 143 N C -1.400 174.146 175.510 0.060 0.000 1.179 143 N CA -0.688 52.406 53.050 0.074 0.000 0.774 143 N CB 2.358 40.874 38.487 0.048 0.000 1.548 143 N HN 0.605 nan 8.380 nan 0.000 0.473 144 E N 0.465 120.711 120.200 0.076 0.000 2.275 144 E HA 0.414 4.763 4.350 -0.000 0.000 0.270 144 E C -1.565 175.081 176.600 0.077 0.000 0.882 144 E CA -0.529 55.909 56.400 0.063 0.000 0.758 144 E CB 0.981 30.715 29.700 0.057 0.000 1.195 144 E HN 0.639 nan 8.360 nan 0.000 0.419 145 N N 2.265 120.999 118.700 0.056 0.000 2.458 145 N HA 0.259 4.999 4.740 -0.000 0.000 0.258 145 N C -1.280 174.255 175.510 0.041 0.000 1.219 145 N CA 0.353 53.435 53.050 0.054 0.000 0.902 145 N CB 0.683 39.192 38.487 0.036 0.000 1.076 145 N HN 0.436 nan 8.380 nan 0.000 0.455 146 c N 2.230 120.837 118.600 0.012 0.000 2.607 146 c HA 0.209 4.779 4.570 -0.000 0.000 0.350 146 c C -0.931 173.039 174.090 -0.200 0.000 1.101 146 c CA -0.987 55.277 56.329 -0.107 0.000 1.282 146 c CB 0.753 43.116 42.510 -0.245 0.000 1.825 146 c HN 0.668 nan 8.230 nan 0.000 0.460 147 D N 4.005 124.365 120.400 -0.066 0.000 2.545 147 D HA 0.156 4.796 4.640 -0.000 0.000 0.227 147 D C 0.817 177.084 176.300 -0.054 0.000 1.150 147 D CA 0.087 54.071 54.000 -0.028 0.000 1.046 147 D CB -0.027 40.815 40.800 0.071 0.000 1.098 147 D HN 0.588 nan 8.370 nan 0.000 0.502 148 F N 0.701 120.713 119.950 0.104 0.000 2.206 148 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 148 F C 2.304 178.141 175.800 0.061 0.000 1.090 148 F CA 0.648 58.739 58.000 0.152 0.000 1.323 148 F CB -0.222 38.892 39.000 0.190 0.000 1.028 148 F HN 0.414 nan 8.300 nan 0.000 0.492 149 H N 0.034 119.223 119.070 0.199 0.000 2.457 149 H HA -0.147 4.409 4.556 -0.000 0.000 0.297 149 H C 2.128 177.403 175.328 -0.089 0.000 1.092 149 H CA 1.585 57.664 56.048 0.052 0.000 1.309 149 H CB -0.228 29.546 29.762 0.020 0.000 1.382 149 H HN 0.297 nan 8.280 nan 0.000 0.535 150 K N -0.362 119.962 120.400 -0.127 0.000 2.214 150 K HA -0.024 4.296 4.320 -0.000 0.000 0.201 150 K C 0.944 177.148 176.600 -0.660 0.000 1.049 150 K CA 0.392 56.391 56.287 -0.480 0.000 0.978 150 K CB 0.226 32.257 32.500 -0.782 0.000 0.842 150 K HN 0.067 nan 8.250 nan 0.000 0.474 151 Y N 1.108 121.216 120.300 -0.320 0.000 2.457 151 Y HA 0.262 4.812 4.550 -0.000 0.000 0.263 151 Y C 0.550 176.240 175.900 -0.351 0.000 1.164 151 Y CA -0.704 57.058 58.100 -0.564 0.000 1.274 151 Y CB -0.259 37.423 38.460 -1.296 0.000 1.097 151 Y HN 0.026 nan 8.280 nan 0.000 0.523 152 N N 0.278 119.013 118.700 0.058 0.000 2.235 152 N HA 0.175 4.915 4.740 -0.000 0.000 0.231 152 N C 1.457 177.042 175.510 0.125 0.000 1.330 152 N CA 1.601 54.802 53.050 0.250 0.000 0.898 152 N CB 0.058 38.724 38.487 0.299 0.000 1.151 152 N HN 0.398 nan 8.380 nan 0.000 0.472 153 G N -0.839 108.037 108.800 0.126 0.000 2.132 153 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.234 153 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.234 153 G C -0.407 174.529 174.900 0.059 0.000 0.989 153 G CA 0.725 45.865 45.100 0.068 0.000 0.676 153 G HN 0.812 nan 8.290 nan 0.000 0.522 154 E N -0.878 119.371 120.200 0.082 0.000 2.392 154 E HA 0.614 4.964 4.350 -0.000 0.000 0.279 154 E C -0.445 176.161 176.600 0.011 0.000 0.964 154 E CA -1.364 55.065 56.400 0.048 0.000 0.777 154 E CB 1.243 30.977 29.700 0.055 0.000 1.249 154 E HN 0.103 nan 8.360 nan 0.000 0.449 155 K N 1.141 121.516 120.400 -0.041 0.000 2.511 155 K HA 0.119 4.438 4.320 -0.000 0.000 0.280 155 K C -0.675 175.792 176.600 -0.222 0.000 1.008 155 K CA 0.731 56.945 56.287 -0.121 0.000 1.050 155 K CB 0.465 32.910 32.500 -0.092 0.000 0.889 155 K HN 0.434 nan 8.250 nan 0.000 0.484 156 T N 2.851 117.122 114.554 -0.471 0.000 2.841 156 T HA 0.179 4.529 4.350 -0.000 0.000 0.285 156 T C -0.999 173.288 174.700 -0.689 0.000 0.991 156 T CA -0.950 60.743 62.100 -0.678 0.000 0.966 156 T CB 1.161 69.387 68.868 -1.070 0.000 0.962 156 T HN 0.354 nan 8.240 nan 0.000 0.438 157 D N 2.424 122.546 120.400 -0.462 0.000 2.274 157 D HA 0.500 5.140 4.640 -0.000 0.000 0.239 157 D C -0.329 175.761 176.300 -0.351 0.000 1.104 157 D CA -0.179 53.632 54.000 -0.315 0.000 0.840 157 D CB 1.597 42.316 40.800 -0.135 0.000 1.100 157 D HN 0.173 nan 8.370 nan 0.000 0.477 158 V N 2.375 121.987 119.914 -0.503 0.000 2.667 158 V HA 0.474 4.594 4.120 -0.000 0.000 0.308 158 V C -0.174 175.679 176.094 -0.402 0.000 1.048 158 V CA -0.812 61.156 62.300 -0.554 0.000 0.928 158 V CB 2.019 33.247 31.823 -0.992 0.000 1.004 158 V HN 0.432 nan 8.190 nan 0.000 0.444 159 Q N 3.498 123.236 119.800 -0.103 0.000 2.274 159 Q HA 0.659 4.999 4.340 -0.000 0.000 0.268 159 Q C -1.933 174.150 176.000 0.138 0.000 1.015 159 Q CA -0.473 55.365 55.803 0.058 0.000 0.775 159 Q CB 1.945 30.772 28.738 0.148 0.000 1.256 159 Q HN 0.775 nan 8.270 nan 0.000 0.442 160 I N 3.575 124.205 120.570 0.100 0.000 2.436 160 I HA 0.446 4.616 4.170 -0.000 0.000 0.289 160 I C -0.357 175.723 176.117 -0.061 0.000 1.010 160 I CA -0.826 60.500 61.300 0.043 0.000 1.098 160 I CB 2.041 40.099 38.000 0.097 0.000 1.266 160 I HN 0.697 nan 8.210 nan 0.000 0.434 161 T N 2.030 116.489 114.554 -0.158 0.000 2.907 161 T HA 0.617 4.967 4.350 -0.000 0.000 0.292 161 T C -1.207 173.255 174.700 -0.396 0.000 1.043 161 T CA -0.846 61.084 62.100 -0.284 0.000 1.003 161 T CB 2.362 71.163 68.868 -0.113 0.000 1.084 161 T HN 0.446 nan 8.240 nan 0.000 0.483 162 Y N 1.193 121.070 120.300 -0.705 0.000 2.361 162 Y HA 0.529 5.078 4.550 -0.001 0.000 0.328 162 Y C -1.709 173.973 175.900 -0.364 0.000 1.044 162 Y CA -1.090 56.668 58.100 -0.570 0.000 1.085 162 Y CB 1.885 39.913 38.460 -0.719 0.000 1.194 162 Y HN 0.829 nan 8.280 nan 0.000 0.438 163 D N 3.117 123.002 120.400 -0.860 0.000 2.414 163 D HA 0.204 4.844 4.640 -0.000 0.000 0.232 163 D C 0.508 176.254 176.300 -0.923 0.000 1.070 163 D CA -0.021 53.594 54.000 -0.642 0.000 0.839 163 D CB 1.709 42.270 40.800 -0.399 0.000 1.079 163 D HN 0.630 nan 8.370 nan 0.000 0.521 164 S N 1.546 116.872 115.700 -0.624 0.000 2.474 164 S HA -0.110 4.360 4.470 -0.000 0.000 0.235 164 S C 1.747 176.205 174.600 -0.236 0.000 0.997 164 S CA 0.432 58.402 58.200 -0.383 0.000 0.949 164 S CB 0.039 63.209 63.200 -0.050 0.000 0.766 164 S HN 0.321 nan 8.310 nan 0.000 0.517 165 S N 3.388 118.957 115.700 -0.217 0.000 2.368 165 S HA -0.076 4.394 4.470 -0.000 0.000 0.224 165 S C 1.400 175.921 174.600 -0.133 0.000 1.029 165 S CA 1.534 59.655 58.200 -0.131 0.000 0.988 165 S CB -0.446 62.687 63.200 -0.112 0.000 0.838 165 S HN 0.949 nan 8.310 nan 0.000 0.462 166 N N 0.503 119.085 118.700 -0.197 0.000 2.184 166 N HA 0.199 4.939 4.740 -0.000 0.000 0.206 166 N C -0.551 174.824 175.510 -0.226 0.000 1.151 166 N CA -0.217 52.735 53.050 -0.164 0.000 0.878 166 N CB -0.205 38.198 38.487 -0.140 0.000 1.014 166 N HN 0.014 nan 8.380 nan 0.000 0.512 167 N N 1.543 120.027 118.700 -0.360 0.000 2.714 167 N HA -0.151 4.588 4.740 -0.000 0.000 0.252 167 N C -1.486 173.846 175.510 -0.296 0.000 1.014 167 N CA 1.627 54.423 53.050 -0.423 0.000 0.735 167 N CB -1.070 37.148 38.487 -0.448 0.000 0.924 167 N HN 0.721 nan 8.380 nan 0.000 0.540 168 D N -0.772 119.387 120.400 -0.402 0.000 2.505 168 D HA 0.475 5.115 4.640 -0.000 0.000 0.249 168 D C -0.285 175.903 176.300 -0.188 0.000 1.082 168 D CA -0.759 53.114 54.000 -0.210 0.000 0.839 168 D CB 1.244 41.947 40.800 -0.162 0.000 1.317 168 D HN 0.052 nan 8.370 nan 0.000 0.497 169 L N 1.766 122.930 121.223 -0.098 0.000 2.289 169 L HA 0.556 4.895 4.340 -0.000 0.000 0.285 169 L C -0.541 176.178 176.870 -0.253 0.000 1.049 169 L CA -0.118 54.633 54.840 -0.148 0.000 0.804 169 L CB 0.742 42.606 42.059 -0.325 0.000 1.195 169 L HN 0.420 nan 8.230 nan 0.000 0.428 170 R N 4.273 124.604 120.500 -0.282 0.000 2.532 170 R HA 0.637 4.976 4.340 -0.000 0.000 0.297 170 R C -1.685 174.286 176.300 -0.548 0.000 0.984 170 R CA -0.789 55.051 56.100 -0.434 0.000 0.884 170 R CB 2.196 32.239 30.300 -0.428 0.000 1.182 170 R HN 0.461 nan 8.270 nan 0.000 0.442 171 V N 4.574 124.142 119.914 -0.575 0.000 2.448 171 V HA 0.509 4.629 4.120 -0.000 0.000 0.295 171 V C -0.912 174.878 176.094 -0.507 0.000 1.025 171 V CA -0.679 61.401 62.300 -0.366 0.000 0.859 171 V CB 1.381 33.171 31.823 -0.055 0.000 0.988 171 V HN 0.521 nan 8.190 nan 0.000 0.431 172 F N 5.217 125.177 119.950 0.017 0.000 2.434 172 F HA 0.597 5.124 4.527 -0.000 0.000 0.355 172 F C -0.218 175.557 175.800 -0.042 0.000 1.115 172 F CA -0.477 57.511 58.000 -0.020 0.000 1.010 172 F CB 1.492 40.456 39.000 -0.060 0.000 1.234 172 F HN 0.324 nan 8.300 nan 0.000 0.439 173 L N 4.513 125.798 121.223 0.104 0.000 2.309 173 L HA 0.548 4.888 4.340 -0.000 0.000 0.282 173 L C -0.899 175.911 176.870 -0.101 0.000 1.036 173 L CA -0.384 54.416 54.840 -0.066 0.000 0.806 173 L CB 1.229 43.234 42.059 -0.090 0.000 1.220 173 L HN 0.734 nan 8.230 nan 0.000 0.429 174 H N 4.921 123.791 119.070 -0.334 0.000 3.013 174 H HA 0.291 4.847 4.556 -0.000 0.000 0.326 174 H C -1.577 173.572 175.328 -0.298 0.000 0.973 174 H CA -0.825 55.073 56.048 -0.250 0.000 1.369 174 H CB 0.950 30.625 29.762 -0.146 0.000 1.598 174 H HN 0.527 nan 8.280 nan 0.000 0.518 175 F N 4.072 123.881 119.950 -0.236 0.000 2.471 175 F HA 0.017 4.544 4.527 -0.000 0.000 0.365 175 F C 2.087 177.561 175.800 -0.544 0.000 1.095 175 F CA 0.021 57.830 58.000 -0.319 0.000 1.174 175 F CB 1.390 40.274 39.000 -0.194 0.000 1.105 175 F HN 0.597 nan 8.300 nan 0.000 0.535 176 T N -0.994 113.322 114.554 -0.397 0.000 2.849 176 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 176 T C 1.494 176.071 174.700 -0.206 0.000 1.066 176 T CA 1.532 63.362 62.100 -0.450 0.000 1.130 176 T CB -0.366 68.336 68.868 -0.275 0.000 0.864 176 T HN 0.385 nan 8.240 nan 0.000 0.481 177 V N 1.471 121.326 119.914 -0.097 0.000 2.908 177 V HA 0.056 4.176 4.120 -0.000 0.000 0.240 177 V C 2.908 178.985 176.094 -0.028 0.000 1.117 177 V CA 0.955 63.230 62.300 -0.043 0.000 1.133 177 V CB -0.149 31.664 31.823 -0.018 0.000 0.857 177 V HN 0.653 nan 8.190 nan 0.000 0.478 178 S N -0.270 115.411 115.700 -0.031 0.000 2.474 178 S HA -0.213 4.256 4.470 -0.000 0.000 0.235 178 S C 1.449 175.990 174.600 -0.100 0.000 0.997 178 S CA 1.240 59.402 58.200 -0.064 0.000 0.949 178 S CB -0.179 62.960 63.200 -0.102 0.000 0.766 178 S HN 0.493 nan 8.310 nan 0.000 0.517 179 Q N -0.664 119.107 119.800 -0.048 0.000 2.305 179 Q HA -0.150 4.190 4.340 -0.000 0.000 0.203 179 Q C -0.322 175.734 176.000 0.093 0.000 0.663 179 Q CA 0.922 56.766 55.803 0.068 0.000 1.389 179 Q CB -2.331 26.446 28.738 0.064 0.000 1.566 179 Q HN 0.559 nan 8.270 nan 0.000 0.755 180 V N 1.343 121.223 119.914 -0.057 0.000 2.763 180 V HA 0.126 4.246 4.120 -0.000 0.000 0.306 180 V C 0.781 177.003 176.094 0.214 0.000 1.059 180 V CA 0.648 62.906 62.300 -0.069 0.000 1.138 180 V CB 1.226 32.734 31.823 -0.524 0.000 0.940 180 V HN 0.087 nan 8.190 nan 0.000 0.489 181 K N 2.500 122.969 120.400 0.115 0.000 2.318 181 K HA 0.716 5.036 4.320 -0.000 0.000 0.249 181 K C -1.338 175.300 176.600 0.063 0.000 0.942 181 K CA -0.430 55.908 56.287 0.084 0.000 0.808 181 K CB 2.060 34.579 32.500 0.033 0.000 1.189 181 K HN 0.712 nan 8.250 nan 0.000 0.428 182 c N 0.459 119.083 118.600 0.039 0.000 3.090 182 c HA 0.713 5.283 4.570 -0.000 0.000 0.305 182 c C -0.838 173.287 174.090 0.059 0.000 1.292 182 c CA -0.696 55.660 56.329 0.047 0.000 1.482 182 c CB 1.749 44.281 42.510 0.036 0.000 1.897 182 c HN 0.987 nan 8.230 nan 0.000 0.469 183 S N 0.132 115.858 115.700 0.043 0.000 2.565 183 S HA 0.789 5.259 4.470 -0.000 0.000 0.274 183 S C -1.600 172.979 174.600 -0.035 0.000 1.144 183 S CA -0.654 57.536 58.200 -0.017 0.000 0.849 183 S CB 1.172 64.358 63.200 -0.022 0.000 1.103 183 S HN 1.396 nan 8.310 nan 0.000 0.455 184 V N 0.575 120.433 119.914 -0.093 0.000 3.114 184 V HA 0.917 5.037 4.120 -0.000 0.000 0.308 184 V C -1.382 174.627 176.094 -0.142 0.000 1.168 184 V CA -0.234 62.028 62.300 -0.064 0.000 1.015 184 V CB 2.342 34.174 31.823 0.014 0.000 1.050 184 V HN 1.270 nan 8.190 nan 0.000 0.433 185 S N 2.549 118.188 115.700 -0.103 0.000 2.549 185 S HA 0.988 5.457 4.470 -0.000 0.000 0.280 185 S C -0.688 173.870 174.600 -0.070 0.000 1.109 185 S CA -0.036 58.084 58.200 -0.134 0.000 0.905 185 S CB 1.743 64.873 63.200 -0.117 0.000 1.081 185 S HN 1.508 nan 8.310 nan 0.000 0.477 186 A N 1.264 124.023 122.820 -0.102 0.000 2.587 186 A HA 0.835 5.155 4.320 -0.000 0.000 0.293 186 A C -0.880 176.722 177.584 0.030 0.000 1.087 186 A CA -0.784 51.280 52.037 0.045 0.000 0.692 186 A CB 1.381 20.476 19.000 0.157 0.000 1.291 186 A HN 0.565 nan 8.150 nan 0.000 0.407 187 T N 1.557 116.214 114.554 0.171 0.000 2.756 187 T HA 0.583 4.933 4.350 -0.000 0.000 0.290 187 T C -0.342 174.461 174.700 0.171 0.000 0.985 187 T CA -0.250 61.916 62.100 0.110 0.000 0.955 187 T CB 0.456 69.388 68.868 0.107 0.000 0.930 187 T HN 0.996 nan 8.240 nan 0.000 0.451 188 V N 1.749 121.724 119.914 0.102 0.000 2.962 188 V HA 0.504 4.624 4.120 -0.000 0.000 0.313 188 V C -0.614 175.499 176.094 0.032 0.000 1.099 188 V CA -1.135 61.243 62.300 0.130 0.000 0.971 188 V CB 2.172 34.103 31.823 0.180 0.000 1.028 188 V HN 0.807 nan 8.190 nan 0.000 0.430 189 H N 3.145 122.319 119.070 0.173 0.000 2.539 189 H HA 0.420 4.976 4.556 -0.000 0.000 0.247 189 H C 0.870 176.257 175.328 0.099 0.000 1.363 189 H CA -0.287 55.864 56.048 0.171 0.000 1.371 189 H CB 1.566 31.395 29.762 0.111 0.000 1.438 189 H HN 0.606 nan 8.280 nan 0.000 0.523 190 L N 1.389 122.655 121.223 0.072 0.000 2.034 190 L HA -0.313 4.027 4.340 -0.000 0.000 0.217 190 L C 1.805 178.708 176.870 0.055 0.000 1.077 190 L CA 1.855 56.669 54.840 -0.043 0.000 0.769 190 L CB -0.044 41.867 42.059 -0.247 0.000 0.890 190 L HN 0.551 nan 8.230 nan 0.000 0.435 191 E N -0.028 120.237 120.200 0.108 0.000 2.273 191 E HA -0.240 4.110 4.350 -0.000 0.000 0.198 191 E C 1.569 178.222 176.600 0.088 0.000 1.002 191 E CA 1.167 57.628 56.400 0.103 0.000 0.828 191 E CB -0.240 29.537 29.700 0.128 0.000 0.747 191 E HN 0.482 nan 8.360 nan 0.000 0.491 192 K N 0.007 120.469 120.400 0.104 0.000 2.374 192 K HA 0.099 4.419 4.320 -0.000 0.000 0.196 192 K C 0.861 177.491 176.600 0.051 0.000 1.023 192 K CA 0.270 56.600 56.287 0.071 0.000 1.103 192 K CB 0.532 33.076 32.500 0.074 0.000 0.848 192 K HN 0.090 nan 8.250 nan 0.000 0.528 193 E N 0.193 120.423 120.200 0.051 0.000 2.391 193 E HA 0.029 4.379 4.350 -0.000 0.000 0.206 193 E C 0.932 177.551 176.600 0.031 0.000 0.851 193 E CA 0.371 56.792 56.400 0.035 0.000 1.059 193 E CB 0.726 30.448 29.700 0.035 0.000 1.065 193 E HN 0.097 nan 8.360 nan 0.000 0.512 194 V N -0.595 119.337 119.914 0.030 0.000 3.113 194 V HA 0.528 4.648 4.120 -0.000 0.000 0.316 194 V C -0.224 175.888 176.094 0.029 0.000 1.125 194 V CA -1.122 61.190 62.300 0.021 0.000 1.026 194 V CB 2.119 33.947 31.823 0.009 0.000 1.080 194 V HN -0.217 nan 8.190 nan 0.000 0.444 195 D N 0.479 120.897 120.400 0.031 0.000 2.384 195 D HA 0.160 4.800 4.640 -0.000 0.000 0.244 195 D C 0.959 177.293 176.300 0.057 0.000 1.251 195 D CA -0.076 53.956 54.000 0.054 0.000 0.961 195 D CB 1.103 41.945 40.800 0.070 0.000 1.116 195 D HN 0.848 nan 8.370 nan 0.000 0.484 196 E N -0.645 119.600 120.200 0.074 0.000 2.153 196 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 196 E C -0.265 176.254 176.600 -0.134 0.000 0.988 196 E CA 1.008 57.404 56.400 -0.007 0.000 0.811 196 E CB 0.263 29.996 29.700 0.055 0.000 0.746 196 E HN 0.357 nan 8.360 nan 0.000 0.466 197 W N -0.015 121.312 121.300 0.044 0.000 2.739 197 W HA 0.366 5.025 4.660 -0.001 0.000 0.331 197 W C -0.652 175.864 176.519 -0.006 0.000 1.049 197 W CA -0.824 56.543 57.345 0.037 0.000 1.234 197 W CB 1.483 30.958 29.460 0.025 0.000 1.404 197 W HN -0.269 nan 8.180 nan 0.000 0.477 198 V N -0.502 119.529 119.914 0.195 0.000 3.160 198 V HA 0.767 4.886 4.120 -0.000 0.000 0.310 198 V C -0.514 175.589 176.094 0.016 0.000 1.181 198 V CA -1.153 61.176 62.300 0.049 0.000 1.047 198 V CB 1.710 33.523 31.823 -0.017 0.000 1.068 198 V HN 0.329 nan 8.190 nan 0.000 0.441 199 S N 0.492 116.121 115.700 -0.118 0.000 2.489 199 S HA 0.731 5.201 4.470 -0.000 0.000 0.291 199 S C -0.611 173.938 174.600 -0.085 0.000 1.151 199 S CA -0.387 57.718 58.200 -0.158 0.000 1.082 199 S CB 1.475 64.393 63.200 -0.470 0.000 1.019 199 S HN 0.860 nan 8.310 nan 0.000 0.492 200 V N 3.371 123.357 119.914 0.121 0.000 2.581 200 V HA 0.945 5.065 4.120 -0.000 0.000 0.303 200 V C 0.531 176.836 176.094 0.352 0.000 1.041 200 V CA 0.660 63.017 62.300 0.096 0.000 0.907 200 V CB 1.265 33.031 31.823 -0.095 0.000 0.994 200 V HN 1.085 nan 8.190 nan 0.000 0.442 201 G N 4.516 113.208 108.800 -0.180 0.000 2.399 201 G HA2 0.332 4.292 3.960 -0.000 0.000 0.256 201 G HA3 0.332 4.292 3.960 -0.000 0.000 0.256 201 G C -1.787 172.317 174.900 -1.325 0.000 1.236 201 G CA -0.521 44.119 45.100 -0.767 0.000 0.914 201 G HN 0.522 nan 8.290 nan 0.000 0.482 202 F N -0.098 119.341 119.950 -0.852 0.000 2.603 202 F HA 0.864 5.391 4.527 -0.000 0.000 0.317 202 F C 0.406 175.851 175.800 -0.592 0.000 1.066 202 F CA -0.808 56.816 58.000 -0.627 0.000 0.941 202 F CB 2.658 41.301 39.000 -0.594 0.000 1.291 202 F HN 0.546 nan 8.300 nan 0.000 0.472 203 S N 1.623 117.212 115.700 -0.184 0.000 2.592 203 S HA 0.777 5.247 4.470 -0.000 0.000 0.275 203 S C -3.292 171.200 174.600 -0.181 0.000 1.169 203 S CA -0.997 57.087 58.200 -0.194 0.000 0.958 203 S CB 2.204 65.311 63.200 -0.155 0.000 1.095 203 S HN 0.304 nan 8.310 nan 0.000 0.471 204 P HA 0.654 nan 4.420 nan 0.000 0.328 204 P C -1.783 175.314 177.300 -0.339 0.000 1.359 204 P CA -0.439 62.426 63.100 -0.392 0.000 1.283 204 P CB 2.570 33.901 31.700 -0.616 0.000 2.072 205 T N 0.170 114.519 114.554 -0.341 0.000 2.916 205 T HA 0.603 4.953 4.350 -0.000 0.000 0.298 205 T C -0.573 174.145 174.700 0.030 0.000 1.031 205 T CA -0.526 61.492 62.100 -0.136 0.000 0.993 205 T CB 0.982 69.774 68.868 -0.128 0.000 1.045 205 T HN 0.408 nan 8.240 nan 0.000 0.454 206 S N 1.455 117.238 115.700 0.138 0.000 2.638 206 S HA 0.821 5.291 4.470 -0.000 0.000 0.298 206 S C 0.695 175.441 174.600 0.243 0.000 1.111 206 S CA -0.850 57.494 58.200 0.241 0.000 1.027 206 S CB 1.335 64.647 63.200 0.187 0.000 1.064 206 S HN 0.940 nan 8.310 nan 0.000 0.525 207 G N 0.093 108.940 108.800 0.079 0.000 2.664 207 G HA2 0.385 4.344 3.960 -0.000 0.000 0.242 207 G HA3 0.385 4.344 3.960 -0.000 0.000 0.242 207 G C 0.065 175.004 174.900 0.064 0.000 1.225 207 G CA -0.748 44.339 45.100 -0.022 0.000 0.849 207 G HN 0.654 nan 8.290 nan 0.000 0.581 208 L N 0.531 121.795 121.223 0.069 0.000 2.682 208 L HA 0.297 4.637 4.340 -0.000 0.000 0.240 208 L C 1.059 177.947 176.870 0.029 0.000 1.178 208 L CA 0.613 55.489 54.840 0.060 0.000 0.970 208 L CB -0.965 41.136 42.059 0.070 0.000 1.179 208 L HN 0.368 nan 8.230 nan 0.000 0.435 209 T N -2.259 112.303 114.554 0.015 0.000 2.886 209 T HA 0.141 4.490 4.350 -0.000 0.000 0.330 209 T C 0.730 175.430 174.700 0.001 0.000 1.488 209 T CA -0.674 61.430 62.100 0.007 0.000 1.054 209 T CB 1.767 70.637 68.868 0.004 0.000 1.348 209 T HN 0.100 nan 8.240 nan 0.000 0.489 210 E N 0.597 120.797 120.200 0.001 0.000 2.160 210 E HA -0.165 4.184 4.350 -0.000 0.000 0.195 210 E C 0.891 177.486 176.600 -0.008 0.000 0.991 210 E CA 1.257 57.656 56.400 -0.002 0.000 0.810 210 E CB 0.164 29.863 29.700 -0.001 0.000 0.742 210 E HN 0.486 nan 8.360 nan 0.000 0.466 211 D N -0.088 120.305 120.400 -0.011 0.000 2.137 211 D HA -0.086 4.554 4.640 -0.000 0.000 0.202 211 D C 2.089 178.373 176.300 -0.025 0.000 0.970 211 D CA 1.645 55.634 54.000 -0.018 0.000 0.837 211 D CB -0.173 40.617 40.800 -0.018 0.000 0.981 211 D HN 0.257 nan 8.370 nan 0.000 0.475 212 T N -1.863 112.674 114.554 -0.028 0.000 3.113 212 T HA 0.010 4.360 4.350 -0.000 0.000 0.256 212 T C 1.154 175.824 174.700 -0.051 0.000 1.131 212 T CA 0.143 62.214 62.100 -0.048 0.000 1.074 212 T CB 0.116 68.941 68.868 -0.071 0.000 0.944 212 T HN -0.134 nan 8.240 nan 0.000 0.516 213 T N 2.101 116.640 114.554 -0.025 0.000 2.816 213 T HA 0.480 4.830 4.350 -0.000 0.000 0.282 213 T C -0.480 174.208 174.700 -0.021 0.000 0.993 213 T CA -0.645 61.452 62.100 -0.006 0.000 0.994 213 T CB 0.807 69.683 68.868 0.013 0.000 1.025 213 T HN 0.741 nan 8.240 nan 0.000 0.529 214 E N -0.274 119.908 120.200 -0.031 0.000 2.447 214 E HA 0.516 4.866 4.350 -0.000 0.000 0.279 214 E C -1.279 175.204 176.600 -0.195 0.000 1.053 214 E CA -1.144 55.184 56.400 -0.121 0.000 0.840 214 E CB 0.764 30.354 29.700 -0.183 0.000 1.409 214 E HN 0.598 nan 8.360 nan 0.000 0.461 215 T N -1.663 112.740 114.554 -0.252 0.000 2.944 215 T HA 0.566 4.916 4.350 -0.000 0.000 0.284 215 T C -0.634 173.801 174.700 -0.441 0.000 1.010 215 T CA -0.663 61.316 62.100 -0.201 0.000 1.025 215 T CB 0.826 69.646 68.868 -0.081 0.000 1.079 215 T HN 0.587 nan 8.240 nan 0.000 0.516 216 H N 0.178 119.225 119.070 -0.039 0.000 2.538 216 H HA 0.379 4.935 4.556 -0.000 0.000 0.239 216 H C -1.235 174.022 175.328 -0.117 0.000 1.401 216 H CA -0.751 55.247 56.048 -0.083 0.000 1.499 216 H CB 0.294 29.977 29.762 -0.131 0.000 1.624 216 H HN 0.554 nan 8.280 nan 0.000 0.524 217 D N 1.662 122.073 120.400 0.018 0.000 2.168 217 D HA 0.283 4.923 4.640 -0.000 0.000 0.246 217 D C -0.016 176.272 176.300 -0.020 0.000 1.050 217 D CA -0.530 53.454 54.000 -0.028 0.000 0.857 217 D CB 2.682 43.486 40.800 0.007 0.000 1.169 217 D HN 0.127 nan 8.370 nan 0.000 0.453 218 V N 2.947 122.767 119.914 -0.157 0.000 2.398 218 V HA 0.196 4.316 4.120 -0.000 0.000 0.286 218 V C 1.223 177.390 176.094 0.121 0.000 1.026 218 V CA -0.495 61.729 62.300 -0.126 0.000 0.868 218 V CB 1.528 32.989 31.823 -0.602 0.000 0.982 218 V HN 0.454 nan 8.190 nan 0.000 0.443 219 L N 3.217 124.606 121.223 0.277 0.000 2.513 219 L HA 0.322 4.662 4.340 -0.000 0.000 0.222 219 L C 0.851 177.997 176.870 0.459 0.000 1.096 219 L CA 0.444 55.487 54.840 0.338 0.000 0.857 219 L CB 0.306 42.479 42.059 0.189 0.000 1.026 219 L HN 0.786 nan 8.230 nan 0.000 0.469 220 S N -1.800 114.234 115.700 0.556 0.000 2.611 220 S HA 0.583 5.053 4.470 -0.000 0.000 0.268 220 S C -2.354 172.730 174.600 0.806 0.000 1.156 220 S CA -0.660 57.838 58.200 0.496 0.000 0.817 220 S CB 2.385 65.758 63.200 0.289 0.000 1.122 220 S HN 0.162 nan 8.310 nan 0.000 0.466 221 W N 1.291 122.918 121.300 0.545 0.000 3.901 221 W HA 0.643 5.303 4.660 -0.001 0.000 0.274 221 W C -1.968 174.867 176.519 0.526 0.000 1.278 221 W CA -0.269 57.490 57.345 0.690 0.000 1.235 221 W CB 1.019 31.085 29.460 1.010 0.000 1.261 221 W HN 0.986 nan 8.180 nan 0.000 0.546 222 S N 4.582 120.513 115.700 0.384 0.000 2.570 222 S HA 0.876 5.345 4.470 -0.000 0.000 0.286 222 S C -1.700 172.756 174.600 -0.240 0.000 1.099 222 S CA -0.658 57.482 58.200 -0.099 0.000 0.913 222 S CB 2.651 65.855 63.200 0.006 0.000 1.085 222 S HN 0.459 nan 8.310 nan 0.000 0.480 223 F N 0.772 120.193 119.950 -0.883 0.000 2.641 223 F HA 0.650 5.177 4.527 -0.001 0.000 0.308 223 F C -1.438 174.004 175.800 -0.596 0.000 1.105 223 F CA -0.131 57.423 58.000 -0.743 0.000 0.964 223 F CB 1.769 40.018 39.000 -1.253 0.000 1.294 223 F HN 0.549 nan 8.300 nan 0.000 0.442 224 S N 2.759 118.015 115.700 -0.739 0.000 2.706 224 S HA 0.441 4.911 4.470 -0.000 0.000 0.270 224 S C -1.159 173.195 174.600 -0.411 0.000 1.163 224 S CA -0.832 57.142 58.200 -0.377 0.000 1.042 224 S CB 1.246 64.307 63.200 -0.232 0.000 1.079 224 S HN 0.788 nan 8.310 nan 0.000 0.474 225 S N 2.005 117.640 115.700 -0.109 0.000 2.617 225 S HA 0.834 5.304 4.470 -0.000 0.000 0.283 225 S C -0.580 174.005 174.600 -0.025 0.000 1.189 225 S CA -0.761 57.426 58.200 -0.023 0.000 1.036 225 S CB 1.489 64.797 63.200 0.180 0.000 1.014 225 S HN 0.583 nan 8.310 nan 0.000 0.522 226 K N 0.992 121.330 120.400 -0.104 0.000 2.513 226 K HA 0.540 4.860 4.320 -0.000 0.000 0.251 226 K C -2.270 174.219 176.600 -0.184 0.000 0.939 226 K CA -0.542 55.705 56.287 -0.065 0.000 0.793 226 K CB 0.848 33.319 32.500 -0.048 0.000 1.241 226 K HN 0.574 nan 8.250 nan 0.000 0.431 227 F N 3.623 123.588 119.950 0.027 0.000 2.361 227 F HA 0.496 5.023 4.527 0.001 0.000 0.364 227 F C 0.972 176.779 175.800 0.012 0.000 1.120 227 F CA -0.419 57.594 58.000 0.022 0.000 1.102 227 F CB 1.299 40.309 39.000 0.015 0.000 1.183 227 F HN 0.459 nan 8.300 nan 0.000 0.476 228 R N 0.000 120.570 120.500 0.117 0.000 2.786 228 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 228 R CA 0.000 56.144 56.100 0.073 0.000 0.921 228 R CB 0.000 30.309 30.300 0.014 0.000 0.687 228 R HN 0.000 nan 8.270 nan 0.000 0.535