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 2vat_1_C DATA FIRST_RESID 7 DATA SEQUENCE NRFEASLDAQ DIARISLFTL ESGVILRDVP VAYKSWGRMN VSRDNCVIVC DATA SEQUENCE HTLTSSAHVT SWWPTLFGQG RAFDTSRYFI ICLNYLGSPF GSAGPCSPDP DATA SEQUENCE DAEGQRPYGA KFPRTTIRDD VRIHRQVLDR LGVRQIAAVV GASMGGMHTL DATA SEQUENCE EWAFFGPEYV RKIVPIATSC RQSGWCAAWF ETQRQCIYDD PKYLDGEYDV DATA SEQUENCE DDQPVRGLET ARKIANLTYK SKPAMDERFH MXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXQPIEAVSS YLRYQAQKFA ASFDANCYIA MTLKFDTHDI DATA SEQUENCE SRGRAGSIPE ALAMITQPAL IICARSDGLY SFDEHVEMGR SIPNSRLCVV DATA SEQUENCE DTNEGHDFFV MEADKVNDAV RGFLDQ 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.475 175.510 -0.058 0.000 1.280 7 N CA 0.000 53.054 53.050 0.007 0.000 0.885 7 N CB 0.000 38.519 38.487 0.053 0.000 1.341 8 R N 1.539 121.906 120.500 -0.221 0.000 2.189 8 R HA 0.035 4.375 4.340 -0.000 0.000 0.223 8 R C 0.579 176.676 176.300 -0.339 0.000 1.092 8 R CA 1.114 57.016 56.100 -0.330 0.000 0.989 8 R CB -0.379 29.642 30.300 -0.465 0.000 0.876 8 R HN 0.308 nan 8.270 nan 0.000 0.457 9 F N 1.614 121.552 119.950 -0.020 0.000 2.128 9 F HA 0.006 4.533 4.527 -0.000 0.000 0.295 9 F C 2.675 178.592 175.800 0.194 0.000 1.100 9 F CA 1.286 59.310 58.000 0.039 0.000 1.260 9 F CB -0.405 38.450 39.000 -0.242 0.000 1.009 9 F HN 0.072 nan 8.300 nan 0.000 0.476 10 E N 0.735 121.104 120.200 0.282 0.000 2.110 10 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 10 E C 2.285 178.959 176.600 0.123 0.000 0.988 10 E CA 0.908 57.447 56.400 0.230 0.000 0.804 10 E CB -0.163 29.622 29.700 0.141 0.000 0.745 10 E HN 0.329 nan 8.360 nan 0.000 0.458 11 A N 0.824 123.679 122.820 0.057 0.000 2.070 11 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 11 A C 2.210 179.796 177.584 0.004 0.000 1.159 11 A CA 1.655 53.698 52.037 0.010 0.000 0.656 11 A CB -0.527 18.457 19.000 -0.026 0.000 0.800 11 A HN 0.392 nan 8.150 nan 0.000 0.453 12 S N -0.832 114.885 115.700 0.029 0.000 2.561 12 S HA 0.218 4.688 4.470 -0.000 0.000 0.225 12 S C 0.604 175.188 174.600 -0.027 0.000 0.977 12 S CA -0.181 58.026 58.200 0.012 0.000 0.926 12 S CB -0.594 62.637 63.200 0.052 0.000 0.769 12 S HN 0.381 nan 8.310 nan 0.000 0.533 13 L N 1.988 123.190 121.223 -0.035 0.000 2.421 13 L HA 0.410 4.750 4.340 -0.000 0.000 0.263 13 L C 0.189 176.942 176.870 -0.195 0.000 1.122 13 L CA -1.067 53.674 54.840 -0.166 0.000 0.804 13 L CB 0.294 42.284 42.059 -0.116 0.000 1.150 13 L HN 0.102 nan 8.230 nan 0.000 0.457 14 D N 0.624 120.809 120.400 -0.359 0.000 2.346 14 D HA 0.162 4.802 4.640 -0.000 0.000 0.236 14 D C 0.205 176.449 176.300 -0.093 0.000 1.259 14 D CA -0.023 53.837 54.000 -0.234 0.000 0.898 14 D CB 0.524 41.169 40.800 -0.258 0.000 1.178 14 D HN 0.611 nan 8.370 nan 0.000 0.457 15 A N 0.808 123.611 122.820 -0.030 0.000 2.540 15 A HA 0.294 4.614 4.320 -0.000 0.000 0.239 15 A C 0.389 177.989 177.584 0.026 0.000 1.061 15 A CA 0.283 52.312 52.037 -0.014 0.000 0.758 15 A CB -0.083 18.893 19.000 -0.040 0.000 0.991 15 A HN 0.530 nan 8.150 nan 0.000 0.502 16 Q N 1.072 120.843 119.800 -0.049 0.000 2.626 16 Q HA 0.577 4.916 4.340 -0.000 0.000 0.300 16 Q C -1.670 174.155 176.000 -0.290 0.000 0.988 16 Q CA -1.102 54.586 55.803 -0.191 0.000 0.761 16 Q CB 1.202 29.844 28.738 -0.160 0.000 1.494 16 Q HN 0.578 nan 8.270 nan 0.000 0.439 17 D N 0.461 120.524 120.400 -0.561 0.000 2.268 17 D HA 0.519 5.159 4.640 -0.000 0.000 0.249 17 D C -0.408 175.574 176.300 -0.529 0.000 1.008 17 D CA -0.286 53.326 54.000 -0.646 0.000 0.939 17 D CB 1.479 41.626 40.800 -1.088 0.000 1.170 17 D HN 0.358 nan 8.370 nan 0.000 0.468 18 I N 1.040 121.480 120.570 -0.218 0.000 2.447 18 I HA 0.365 4.535 4.170 -0.000 0.000 0.287 18 I C 0.013 176.214 176.117 0.140 0.000 1.023 18 I CA -0.762 60.533 61.300 -0.008 0.000 1.083 18 I CB 1.115 39.122 38.000 0.012 0.000 1.245 18 I HN 0.259 nan 8.210 nan 0.000 0.434 19 A N 7.873 130.859 122.820 0.276 0.000 2.303 19 A HA 0.806 5.126 4.320 -0.000 0.000 0.317 19 A C -0.067 177.604 177.584 0.145 0.000 1.149 19 A CA -0.686 51.485 52.037 0.223 0.000 0.822 19 A CB 0.914 20.044 19.000 0.217 0.000 1.131 19 A HN 0.694 nan 8.150 nan 0.000 0.493 20 R N 2.175 122.743 120.500 0.114 0.000 2.437 20 R HA 0.483 4.823 4.340 -0.000 0.000 0.310 20 R C -1.319 175.040 176.300 0.097 0.000 0.955 20 R CA -0.655 55.505 56.100 0.101 0.000 0.851 20 R CB 1.352 31.705 30.300 0.088 0.000 1.161 20 R HN 0.517 nan 8.270 nan 0.000 0.446 21 I N 2.848 123.481 120.570 0.105 0.000 2.321 21 I HA 0.056 4.226 4.170 -0.000 0.000 0.291 21 I C 1.680 177.873 176.117 0.128 0.000 0.998 21 I CA -0.161 61.209 61.300 0.116 0.000 1.227 21 I CB 1.539 39.610 38.000 0.119 0.000 1.368 21 I HN 0.737 nan 8.210 nan 0.000 0.466 22 S N 6.922 122.691 115.700 0.113 0.000 2.387 22 S HA 0.129 4.599 4.470 -0.000 0.000 0.226 22 S C 0.599 175.268 174.600 0.114 0.000 1.026 22 S CA 0.433 58.694 58.200 0.101 0.000 0.972 22 S CB 0.067 63.313 63.200 0.076 0.000 0.814 22 S HN 0.552 nan 8.310 nan 0.000 0.477 23 L N 0.374 121.676 121.223 0.132 0.000 2.431 23 L HA 0.646 4.986 4.340 -0.000 0.000 0.266 23 L C -1.559 175.442 176.870 0.218 0.000 0.978 23 L CA -0.742 54.180 54.840 0.136 0.000 0.822 23 L CB 2.391 44.495 42.059 0.075 0.000 1.310 23 L HN 0.263 nan 8.230 nan 0.000 0.409 24 F N 1.162 121.136 119.950 0.040 0.000 2.585 24 F HA 0.418 4.945 4.527 -0.000 0.000 0.319 24 F C -0.284 175.521 175.800 0.008 0.000 1.165 24 F CA -0.247 57.771 58.000 0.030 0.000 0.949 24 F CB 1.939 40.967 39.000 0.047 0.000 1.218 24 F HN 0.282 nan 8.300 nan 0.000 0.453 25 T N 7.039 121.205 114.554 -0.646 0.000 2.729 25 T HA 0.406 4.756 4.350 -0.000 0.000 0.296 25 T C 0.255 174.616 174.700 -0.564 0.000 0.928 25 T CA -0.348 61.476 62.100 -0.459 0.000 1.045 25 T CB 0.310 68.988 68.868 -0.317 0.000 0.902 25 T HN 0.385 nan 8.240 nan 0.000 0.500 26 L N 3.249 124.332 121.223 -0.233 0.000 2.467 26 L HA 0.157 4.497 4.340 -0.000 0.000 0.270 26 L C 2.164 178.955 176.870 -0.131 0.000 1.205 26 L CA -0.325 54.453 54.840 -0.103 0.000 0.828 26 L CB 0.443 42.475 42.059 -0.045 0.000 1.101 26 L HN 0.770 nan 8.230 nan 0.000 0.479 27 E N 0.275 120.420 120.200 -0.090 0.000 2.401 27 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 27 E C 1.546 178.096 176.600 -0.083 0.000 1.023 27 E CA 1.183 57.527 56.400 -0.094 0.000 0.859 27 E CB 0.030 29.680 29.700 -0.084 0.000 0.780 27 E HN 0.743 nan 8.360 nan 0.000 0.523 28 S N -0.422 115.232 115.700 -0.077 0.000 2.481 28 S HA 0.140 4.610 4.470 -0.000 0.000 0.231 28 S C 1.777 176.334 174.600 -0.072 0.000 0.996 28 S CA 0.521 58.679 58.200 -0.070 0.000 0.942 28 S CB -0.010 63.148 63.200 -0.069 0.000 0.768 28 S HN 0.652 nan 8.310 nan 0.000 0.520 29 G N 0.067 108.816 108.800 -0.085 0.000 2.213 29 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.226 29 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.226 29 G C 0.061 174.914 174.900 -0.078 0.000 0.992 29 G CA -0.110 44.941 45.100 -0.082 0.000 0.632 29 G HN 0.673 nan 8.290 nan 0.000 0.511 30 V N 2.047 121.914 119.914 -0.078 0.000 2.637 30 V HA 0.424 4.544 4.120 -0.000 0.000 0.296 30 V C 0.941 176.994 176.094 -0.068 0.000 1.046 30 V CA 0.224 62.481 62.300 -0.071 0.000 1.066 30 V CB 1.344 33.114 31.823 -0.089 0.000 0.968 30 V HN 0.319 nan 8.190 nan 0.000 0.483 31 I N 5.789 126.334 120.570 -0.041 0.000 2.339 31 I HA 0.369 4.539 4.170 -0.000 0.000 0.290 31 I C -0.213 175.923 176.117 0.032 0.000 0.994 31 I CA -0.213 61.077 61.300 -0.018 0.000 1.191 31 I CB 1.164 39.155 38.000 -0.015 0.000 1.343 31 I HN 0.376 nan 8.210 nan 0.000 0.458 32 L N 7.015 128.287 121.223 0.082 0.000 2.334 32 L HA 0.551 4.891 4.340 -0.000 0.000 0.277 32 L C 0.106 177.077 176.870 0.169 0.000 1.075 32 L CA -0.617 54.310 54.840 0.144 0.000 0.804 32 L CB 0.865 43.031 42.059 0.179 0.000 1.174 32 L HN 0.556 nan 8.230 nan 0.000 0.438 33 R N 1.737 122.342 120.500 0.175 0.000 2.778 33 R HA 0.327 4.667 4.340 -0.000 0.000 0.277 33 R C -1.054 175.341 176.300 0.159 0.000 0.977 33 R CA -0.983 55.204 56.100 0.145 0.000 0.950 33 R CB 1.504 31.866 30.300 0.103 0.000 1.165 33 R HN 0.604 nan 8.270 nan 0.000 0.474 34 D N 0.541 121.020 120.400 0.131 0.000 2.705 34 D HA -0.115 4.525 4.640 -0.000 0.000 0.240 34 D C -0.757 175.630 176.300 0.146 0.000 1.137 34 D CA 0.718 54.789 54.000 0.117 0.000 0.677 34 D CB -1.077 39.778 40.800 0.091 0.000 1.049 34 D HN 0.134 nan 8.370 nan 0.000 0.427 35 V N 1.479 121.486 119.914 0.155 0.000 2.348 35 V HA 0.309 4.429 4.120 -0.000 0.000 0.270 35 V C -1.534 174.643 176.094 0.137 0.000 1.037 35 V CA -1.235 61.168 62.300 0.172 0.000 0.872 35 V CB 1.372 33.295 31.823 0.167 0.000 1.002 35 V HN 0.038 nan 8.190 nan 0.000 0.464 36 P HA 0.259 nan 4.420 nan 0.000 0.276 36 P C -0.845 176.529 177.300 0.123 0.000 1.230 36 P CA -0.112 63.058 63.100 0.117 0.000 0.776 36 P CB 1.619 33.380 31.700 0.102 0.000 0.888 37 V N 2.971 122.969 119.914 0.139 0.000 2.407 37 V HA 0.514 4.634 4.120 -0.000 0.000 0.291 37 V C 0.490 176.701 176.094 0.195 0.000 1.018 37 V CA -0.895 61.507 62.300 0.170 0.000 0.842 37 V CB 1.244 33.177 31.823 0.183 0.000 0.996 37 V HN 0.714 nan 8.190 nan 0.000 0.426 38 A N 5.442 128.347 122.820 0.143 0.000 2.316 38 A HA 0.899 5.219 4.320 -0.000 0.000 0.284 38 A C -0.764 176.880 177.584 0.100 0.000 1.115 38 A CA -0.192 51.885 52.037 0.067 0.000 0.812 38 A CB 0.548 19.570 19.000 0.037 0.000 1.064 38 A HN 1.279 nan 8.150 nan 0.000 0.489 39 Y N -0.919 119.310 120.300 -0.118 0.000 2.638 39 Y HA 0.790 5.340 4.550 -0.000 0.000 0.335 39 Y C -0.956 174.756 175.900 -0.312 0.000 1.155 39 Y CA -1.561 56.417 58.100 -0.204 0.000 1.046 39 Y CB 1.316 39.672 38.460 -0.175 0.000 1.303 39 Y HN 0.584 nan 8.280 nan 0.000 0.460 40 K N 1.573 121.768 120.400 -0.341 0.000 2.443 40 K HA 0.740 5.060 4.320 -0.000 0.000 0.252 40 K C -1.444 174.674 176.600 -0.803 0.000 0.933 40 K CA -0.297 55.569 56.287 -0.703 0.000 0.792 40 K CB 2.037 33.934 32.500 -1.004 0.000 1.185 40 K HN 0.999 nan 8.250 nan 0.000 0.425 41 S N 2.813 118.023 115.700 -0.817 0.000 2.599 41 S HA 0.741 5.211 4.470 -0.000 0.000 0.294 41 S C -1.070 173.057 174.600 -0.789 0.000 1.094 41 S CA -0.890 56.883 58.200 -0.710 0.000 0.931 41 S CB 0.910 63.882 63.200 -0.380 0.000 1.093 41 S HN 0.543 nan 8.310 nan 0.000 0.488 42 W N 0.291 121.508 121.300 -0.139 0.000 3.022 42 W HA 0.572 5.231 4.660 -0.000 0.000 0.335 42 W C 0.590 177.144 176.519 0.058 0.000 1.133 42 W CA -0.029 57.316 57.345 -0.000 0.000 1.219 42 W CB 1.556 31.060 29.460 0.073 0.000 1.409 42 W HN 1.436 nan 8.180 nan 0.000 0.507 43 G N 1.954 110.950 108.800 0.325 0.000 2.693 43 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.226 43 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.226 43 G C -1.145 173.969 174.900 0.357 0.000 1.354 43 G CA -0.536 44.739 45.100 0.293 0.000 0.873 43 G HN 0.643 nan 8.290 nan 0.000 0.562 44 R N -0.945 119.748 120.500 0.321 0.000 2.621 44 R HA 0.592 4.932 4.340 -0.000 0.000 0.284 44 R C 0.487 176.876 176.300 0.147 0.000 0.998 44 R CA -0.987 55.245 56.100 0.220 0.000 0.895 44 R CB 1.005 31.368 30.300 0.105 0.000 1.195 44 R HN 0.647 nan 8.270 nan 0.000 0.450 45 M N 3.600 123.140 119.600 -0.100 0.000 2.249 45 M HA 0.020 4.500 4.480 -0.000 0.000 0.340 45 M C 0.498 176.767 176.300 -0.053 0.000 1.166 45 M CA 0.033 55.247 55.300 -0.144 0.000 1.115 45 M CB 0.376 32.756 32.600 -0.366 0.000 1.606 45 M HN 0.681 nan 8.290 nan 0.000 0.448 46 N N 2.320 121.011 118.700 -0.015 0.000 2.285 46 N HA 0.078 4.818 4.740 -0.000 0.000 0.262 46 N C 0.462 175.955 175.510 -0.030 0.000 1.299 46 N CA -0.578 52.463 53.050 -0.015 0.000 0.930 46 N CB 0.070 38.556 38.487 -0.003 0.000 1.157 46 N HN 0.419 nan 8.380 nan 0.000 0.532 47 V N -0.277 119.625 119.914 -0.021 0.000 2.427 47 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 47 V C 2.114 178.196 176.094 -0.020 0.000 1.051 47 V CA 1.983 64.269 62.300 -0.023 0.000 1.048 47 V CB -1.020 30.794 31.823 -0.016 0.000 0.666 47 V HN 0.723 nan 8.190 nan 0.000 0.456 48 S N -0.511 115.182 115.700 -0.012 0.000 2.507 48 S HA -0.063 4.407 4.470 -0.000 0.000 0.235 48 S C 0.926 175.521 174.600 -0.008 0.000 0.988 48 S CA 0.243 58.439 58.200 -0.006 0.000 0.944 48 S CB -0.292 62.909 63.200 0.002 0.000 0.762 48 S HN 0.621 nan 8.310 nan 0.000 0.526 49 R N 1.175 121.661 120.500 -0.023 0.000 3.405 49 R HA -0.174 4.166 4.340 -0.000 0.000 0.258 49 R C -0.716 175.582 176.300 -0.004 0.000 1.030 49 R CA 1.016 57.093 56.100 -0.038 0.000 0.691 49 R CB -2.178 28.086 30.300 -0.060 0.000 1.093 49 R HN 0.609 nan 8.270 nan 0.000 0.448 50 D N -0.662 119.747 120.400 0.015 0.000 2.479 50 D HA -0.027 4.613 4.640 -0.000 0.000 0.218 50 D C 0.508 176.839 176.300 0.052 0.000 1.177 50 D CA -0.337 53.677 54.000 0.024 0.000 0.830 50 D CB -0.055 40.757 40.800 0.021 0.000 1.014 50 D HN 0.352 nan 8.370 nan 0.000 0.503 51 N N 0.323 119.081 118.700 0.096 0.000 2.380 51 N HA 0.038 4.778 4.740 -0.000 0.000 0.255 51 N C -0.586 175.074 175.510 0.249 0.000 1.158 51 N CA -0.582 52.589 53.050 0.203 0.000 0.878 51 N CB -0.702 37.901 38.487 0.192 0.000 1.138 51 N HN 0.149 nan 8.380 nan 0.000 0.509 52 C N 0.961 120.343 119.300 0.137 0.000 2.514 52 C HA 0.577 5.037 4.460 -0.000 0.000 0.392 52 C C 0.015 174.958 174.990 -0.079 0.000 1.294 52 C CA -0.262 58.836 59.018 0.134 0.000 1.957 52 C CB -0.352 27.466 27.740 0.130 0.000 2.541 52 C HN 0.250 nan 8.230 nan 0.000 0.569 53 V N 8.261 128.084 119.914 -0.152 0.000 2.448 53 V HA 0.435 4.555 4.120 -0.000 0.000 0.295 53 V C 0.035 175.936 176.094 -0.323 0.000 1.025 53 V CA -0.255 61.866 62.300 -0.298 0.000 0.859 53 V CB 1.521 33.101 31.823 -0.405 0.000 0.988 53 V HN 0.761 nan 8.190 nan 0.000 0.431 54 I N 5.085 125.440 120.570 -0.358 0.000 2.353 54 I HA 0.451 4.620 4.170 -0.000 0.000 0.293 54 I C -0.417 175.517 176.117 -0.305 0.000 0.992 54 I CA -0.611 60.462 61.300 -0.378 0.000 1.268 54 I CB 1.789 39.414 38.000 -0.624 0.000 1.387 54 I HN 0.268 nan 8.210 nan 0.000 0.478 55 V N 5.474 125.240 119.914 -0.247 0.000 2.417 55 V HA 0.310 4.430 4.120 -0.000 0.000 0.291 55 V C -0.337 175.770 176.094 0.023 0.000 1.024 55 V CA -0.604 61.615 62.300 -0.135 0.000 0.861 55 V CB 1.500 33.156 31.823 -0.279 0.000 0.985 55 V HN 0.802 nan 8.190 nan 0.000 0.436 56 C N 4.968 124.344 119.300 0.127 0.000 2.295 56 C HA 0.630 5.090 4.460 -0.000 0.000 0.331 56 C C 0.550 175.661 174.990 0.202 0.000 1.280 56 C CA -0.761 58.357 59.018 0.166 0.000 1.746 56 C CB -0.420 27.488 27.740 0.280 0.000 2.328 56 C HN 1.088 nan 8.230 nan 0.000 0.521 57 H N 0.802 119.931 119.070 0.098 0.000 2.408 57 H HA 0.686 5.242 4.556 -0.000 0.000 0.345 57 H C 0.481 175.899 175.328 0.151 0.000 1.547 57 H CA -0.139 56.009 56.048 0.167 0.000 1.447 57 H CB 0.032 29.862 29.762 0.113 0.000 1.686 57 H HN 0.575 nan 8.280 nan 0.000 0.625 58 T N -2.037 112.683 114.554 0.277 0.000 2.923 58 T HA 0.191 4.541 4.350 -0.000 0.000 0.281 58 T C 1.239 176.114 174.700 0.292 0.000 0.995 58 T CA -0.509 61.645 62.100 0.091 0.000 0.985 58 T CB 1.022 69.728 68.868 -0.270 0.000 1.114 58 T HN 0.565 nan 8.240 nan 0.000 0.548 59 L N 1.176 122.502 121.223 0.171 0.000 2.021 59 L HA -0.074 4.266 4.340 -0.000 0.000 0.215 59 L C 2.291 179.312 176.870 0.252 0.000 1.074 59 L CA 2.889 57.828 54.840 0.166 0.000 0.760 59 L CB -1.066 41.074 42.059 0.135 0.000 0.889 59 L HN 1.069 nan 8.230 nan 0.000 0.433 60 T N -4.052 110.601 114.554 0.166 0.000 3.129 60 T HA 0.274 4.624 4.350 -0.000 0.000 0.267 60 T C 0.655 175.574 174.700 0.365 0.000 1.018 60 T CA 0.139 62.340 62.100 0.167 0.000 0.903 60 T CB -0.566 68.241 68.868 -0.102 0.000 1.067 60 T HN 0.485 nan 8.240 nan 0.000 0.549 61 S N 1.526 117.338 115.700 0.187 0.000 2.693 61 S HA 0.689 5.159 4.470 -0.000 0.000 0.276 61 S C 0.491 174.978 174.600 -0.188 0.000 1.192 61 S CA -0.243 57.946 58.200 -0.019 0.000 0.994 61 S CB 1.468 64.565 63.200 -0.172 0.000 1.012 61 S HN 0.596 nan 8.310 nan 0.000 0.550 62 S N 0.580 116.018 115.700 -0.437 0.000 2.623 62 S HA 0.666 5.136 4.470 -0.000 0.000 0.278 62 S C 1.134 175.481 174.600 -0.422 0.000 1.148 62 S CA -0.399 57.517 58.200 -0.474 0.000 1.028 62 S CB 0.165 63.036 63.200 -0.547 0.000 1.145 62 S HN 1.407 nan 8.310 nan 0.000 0.523 63 A N -0.794 121.894 122.820 -0.219 0.000 2.208 63 A HA 0.194 4.514 4.320 -0.000 0.000 0.209 63 A C 0.425 177.971 177.584 -0.063 0.000 1.161 63 A CA 0.215 52.172 52.037 -0.133 0.000 0.782 63 A CB -1.047 17.857 19.000 -0.160 0.000 0.816 63 A HN 0.825 nan 8.150 nan 0.000 0.477 64 H N -0.126 118.969 119.070 0.042 0.000 2.998 64 H HA 0.266 4.822 4.556 -0.000 0.000 0.241 64 H C 1.224 176.609 175.328 0.096 0.000 1.852 64 H CA -0.057 56.071 56.048 0.132 0.000 1.419 64 H CB -0.025 29.750 29.762 0.022 0.000 1.793 64 H HN 0.082 nan 8.280 nan 0.000 0.553 65 V N 1.089 121.096 119.914 0.155 0.000 2.469 65 V HA -0.305 3.815 4.120 -0.000 0.000 0.251 65 V C 2.335 178.149 176.094 -0.468 0.000 1.064 65 V CA 2.267 64.412 62.300 -0.257 0.000 1.066 65 V CB -0.749 31.043 31.823 -0.052 0.000 0.667 65 V HN 0.813 nan 8.190 nan 0.000 0.461 66 T N -1.033 113.261 114.554 -0.433 0.000 2.849 66 T HA -0.221 4.129 4.350 -0.000 0.000 0.270 66 T C 1.915 176.507 174.700 -0.181 0.000 1.066 66 T CA 1.648 63.458 62.100 -0.483 0.000 1.130 66 T CB -0.570 67.957 68.868 -0.568 0.000 0.864 66 T HN 0.650 nan 8.240 nan 0.000 0.481 67 S N 0.663 116.314 115.700 -0.082 0.000 2.461 67 S HA -0.016 4.454 4.470 -0.000 0.000 0.228 67 S C 1.781 176.478 174.600 0.161 0.000 1.005 67 S CA 0.480 58.711 58.200 0.053 0.000 0.942 67 S CB -0.730 62.534 63.200 0.107 0.000 0.776 67 S HN 0.927 nan 8.310 nan 0.000 0.514 68 W N -2.457 118.890 121.300 0.078 0.000 2.661 68 W HA 0.473 5.133 4.660 -0.000 0.000 0.288 68 W C -0.329 176.304 176.519 0.190 0.000 1.014 68 W CA -0.562 56.820 57.345 0.062 0.000 1.396 68 W CB -0.190 29.244 29.460 -0.042 0.000 0.963 68 W HN 0.273 nan 8.180 nan 0.000 0.584 69 W N 4.134 125.180 121.300 -0.423 0.000 1.931 69 W HA 0.326 4.985 4.660 -0.000 0.000 0.346 69 W C -1.508 174.987 176.519 -0.040 0.000 0.775 69 W CA -2.964 54.242 57.345 -0.232 0.000 2.738 69 W CB -0.435 28.773 29.460 -0.421 0.000 1.908 69 W HN -0.205 nan 8.180 nan 0.000 0.665 70 P HA -0.175 nan 4.420 nan 0.000 0.218 70 P C 1.563 178.938 177.300 0.124 0.000 1.148 70 P CA 2.284 65.442 63.100 0.095 0.000 0.822 70 P CB -0.223 31.501 31.700 0.040 0.000 0.784 71 T N -3.700 110.893 114.554 0.065 0.000 3.118 71 T HA 0.044 4.394 4.350 -0.000 0.000 0.260 71 T C 1.550 176.177 174.700 -0.123 0.000 1.139 71 T CA 0.282 62.374 62.100 -0.013 0.000 1.085 71 T CB -0.865 67.988 68.868 -0.026 0.000 0.934 71 T HN -0.108 nan 8.240 nan 0.000 0.518 72 L N -0.184 120.914 121.223 -0.208 0.000 2.554 72 L HA 0.442 4.782 4.340 -0.000 0.000 0.226 72 L C -0.116 176.416 176.870 -0.563 0.000 1.137 72 L CA 0.409 54.900 54.840 -0.582 0.000 0.863 72 L CB -0.492 40.909 42.059 -1.096 0.000 0.985 72 L HN 0.255 nan 8.230 nan 0.000 0.451 73 F N -0.448 119.384 119.950 -0.197 0.000 2.421 73 F HA 0.651 5.178 4.527 -0.000 0.000 0.337 73 F C 0.946 176.684 175.800 -0.103 0.000 1.105 73 F CA -0.395 57.522 58.000 -0.138 0.000 1.049 73 F CB 1.360 40.222 39.000 -0.231 0.000 1.139 73 F HN -0.035 nan 8.300 nan 0.000 0.479 74 G N 2.088 110.946 108.800 0.098 0.000 2.355 74 G HA2 0.073 4.033 3.960 -0.000 0.000 0.619 74 G HA3 0.073 4.033 3.960 -0.000 0.000 0.619 74 G C -1.489 173.424 174.900 0.022 0.000 1.337 74 G CA -1.264 43.876 45.100 0.067 0.000 0.993 74 G HN 0.711 nan 8.290 nan 0.000 0.599 75 Q N 0.594 120.406 119.800 0.019 0.000 2.283 75 Q HA 0.378 4.718 4.340 -0.000 0.000 0.301 75 Q C 1.313 177.299 176.000 -0.023 0.000 1.063 75 Q CA 1.770 57.570 55.803 -0.004 0.000 0.952 75 Q CB 0.349 29.086 28.738 -0.002 0.000 1.166 75 Q HN 2.793 nan 8.270 nan 0.000 0.381 76 G N 3.849 112.628 108.800 -0.035 0.000 2.189 76 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.267 76 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.267 76 G C 0.057 174.917 174.900 -0.066 0.000 0.975 76 G CA 0.539 45.612 45.100 -0.045 0.000 0.644 76 G HN 0.642 nan 8.290 nan 0.000 0.537 77 R N -0.522 119.928 120.500 -0.083 0.000 2.705 77 R HA 0.803 5.143 4.340 -0.000 0.000 0.246 77 R C 1.723 177.899 176.300 -0.207 0.000 1.142 77 R CA -0.046 55.959 56.100 -0.157 0.000 1.114 77 R CB -0.000 30.196 30.300 -0.173 0.000 1.256 77 R HN 0.390 nan 8.270 nan 0.000 0.536 78 A N 0.822 123.403 122.820 -0.398 0.000 1.865 78 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 78 A C 0.488 177.833 177.584 -0.399 0.000 1.191 78 A CA 1.365 53.096 52.037 -0.509 0.000 0.623 78 A CB -0.444 18.012 19.000 -0.907 0.000 0.826 78 A HN 0.417 nan 8.150 nan 0.000 0.444 79 F N 1.405 121.103 119.950 -0.420 0.000 2.541 79 F HA 0.282 4.809 4.527 -0.000 0.000 0.351 79 F C 0.081 175.759 175.800 -0.204 0.000 1.209 79 F CA -1.945 55.778 58.000 -0.462 0.000 1.277 79 F CB -0.468 37.855 39.000 -1.128 0.000 1.632 79 F HN 0.081 nan 8.300 nan 0.000 0.619 80 D N 1.681 122.197 120.400 0.193 0.000 2.374 80 D HA -0.003 4.637 4.640 -0.000 0.000 0.240 80 D C 1.394 177.789 176.300 0.159 0.000 1.229 80 D CA 0.148 54.224 54.000 0.127 0.000 0.895 80 D CB 0.855 41.687 40.800 0.053 0.000 1.046 80 D HN 0.478 nan 8.370 nan 0.000 0.498 81 T N -0.117 114.531 114.554 0.157 0.000 3.155 81 T HA -0.066 4.284 4.350 -0.000 0.000 0.264 81 T C 1.591 176.362 174.700 0.117 0.000 1.160 81 T CA 0.369 62.582 62.100 0.188 0.000 1.075 81 T CB 0.062 69.073 68.868 0.237 0.000 0.921 81 T HN 0.126 nan 8.240 nan 0.000 0.533 82 S N 1.129 116.855 115.700 0.044 0.000 2.446 82 S HA 0.175 4.645 4.470 -0.000 0.000 0.225 82 S C 2.049 176.607 174.600 -0.069 0.000 1.016 82 S CA 0.202 58.399 58.200 -0.005 0.000 0.943 82 S CB 0.025 63.206 63.200 -0.032 0.000 0.786 82 S HN 0.547 nan 8.310 nan 0.000 0.508 83 R N -1.184 119.213 120.500 -0.171 0.000 2.257 83 R HA 0.298 4.638 4.340 -0.000 0.000 0.195 83 R C -0.414 175.657 176.300 -0.382 0.000 0.921 83 R CA 0.338 56.196 56.100 -0.405 0.000 1.069 83 R CB 0.455 30.284 30.300 -0.786 0.000 1.115 83 R HN 0.332 nan 8.270 nan 0.000 0.571 84 Y N -0.969 119.375 120.300 0.073 0.000 2.562 84 Y HA 0.317 4.867 4.550 -0.000 0.000 0.343 84 Y C -0.806 175.201 175.900 0.178 0.000 1.025 84 Y CA -1.506 56.651 58.100 0.095 0.000 1.082 84 Y CB 1.603 40.094 38.460 0.050 0.000 1.264 84 Y HN -0.176 nan 8.280 nan 0.000 0.478 85 F N 4.582 124.658 119.950 0.211 0.000 2.350 85 F HA 0.472 4.999 4.527 -0.000 0.000 0.365 85 F C -1.063 174.812 175.800 0.125 0.000 1.122 85 F CA -1.016 57.071 58.000 0.145 0.000 1.139 85 F CB 0.025 39.072 39.000 0.078 0.000 1.220 85 F HN 0.178 nan 8.300 nan 0.000 0.499 86 I N 7.941 128.407 120.570 -0.174 0.000 2.353 86 I HA 0.408 4.578 4.170 -0.000 0.000 0.293 86 I C -0.199 175.753 176.117 -0.275 0.000 0.992 86 I CA -0.710 60.494 61.300 -0.159 0.000 1.268 86 I CB 1.266 39.307 38.000 0.068 0.000 1.387 86 I HN 0.631 nan 8.210 nan 0.000 0.478 87 I N 5.872 126.269 120.570 -0.288 0.000 2.656 87 I HA 0.447 4.617 4.170 -0.000 0.000 0.292 87 I C -1.421 174.643 176.117 -0.088 0.000 1.144 87 I CA -0.286 60.860 61.300 -0.257 0.000 1.038 87 I CB 2.152 39.902 38.000 -0.416 0.000 1.244 87 I HN 0.701 nan 8.210 nan 0.000 0.420 88 C N 8.000 127.299 119.300 -0.001 0.000 2.441 88 C HA 0.756 5.216 4.460 -0.000 0.000 0.318 88 C C -1.081 173.875 174.990 -0.057 0.000 1.222 88 C CA -0.511 58.514 59.018 0.011 0.000 1.474 88 C CB 0.665 28.503 27.740 0.163 0.000 2.125 88 C HN 0.676 nan 8.230 nan 0.000 0.479 89 L N 5.466 126.594 121.223 -0.157 0.000 2.334 89 L HA 0.515 4.855 4.340 -0.000 0.000 0.276 89 L C 0.465 177.212 176.870 -0.205 0.000 1.014 89 L CA -0.043 54.615 54.840 -0.303 0.000 0.815 89 L CB 0.976 42.508 42.059 -0.879 0.000 1.268 89 L HN 0.719 nan 8.230 nan 0.000 0.428 90 N N 1.369 120.067 118.700 -0.003 0.000 2.497 90 N HA 0.147 4.887 4.740 -0.000 0.000 0.271 90 N C -0.945 174.735 175.510 0.283 0.000 1.142 90 N CA -0.412 52.749 53.050 0.185 0.000 0.965 90 N CB 0.532 39.119 38.487 0.167 0.000 1.077 90 N HN 0.455 nan 8.380 nan 0.000 0.462 91 Y N 2.185 122.727 120.300 0.403 0.000 2.457 91 Y HA 0.062 4.612 4.550 -0.000 0.000 0.341 91 Y C 0.907 176.902 175.900 0.159 0.000 1.240 91 Y CA -0.893 57.329 58.100 0.203 0.000 1.437 91 Y CB 0.669 39.139 38.460 0.016 0.000 1.328 91 Y HN 0.260 nan 8.280 nan 0.000 0.588 92 L N 2.005 123.395 121.223 0.277 0.000 2.514 92 L HA 0.070 4.409 4.340 -0.000 0.000 0.280 92 L C 1.296 178.246 176.870 0.134 0.000 1.223 92 L CA 1.022 55.973 54.840 0.186 0.000 0.864 92 L CB -0.142 42.058 42.059 0.236 0.000 1.118 92 L HN 1.103 nan 8.230 nan 0.000 0.494 93 G N 1.522 110.243 108.800 -0.132 0.000 2.217 93 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.246 93 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.246 93 G C 0.364 175.171 174.900 -0.155 0.000 0.990 93 G CA 0.277 45.260 45.100 -0.194 0.000 0.627 93 G HN 0.694 nan 8.290 nan 0.000 0.522 94 S N 1.141 116.801 115.700 -0.066 0.000 2.610 94 S HA 0.619 5.089 4.470 -0.000 0.000 0.273 94 S C -0.639 173.766 174.600 -0.326 0.000 1.274 94 S CA -0.599 57.563 58.200 -0.063 0.000 1.023 94 S CB 1.596 64.915 63.200 0.199 0.000 0.962 94 S HN 0.100 nan 8.310 nan 0.000 0.523 95 P HA 0.151 nan 4.420 nan 0.000 0.249 95 P C -0.035 176.942 177.300 -0.538 0.000 1.229 95 P CA 0.386 63.001 63.100 -0.808 0.000 0.788 95 P CB -0.109 30.704 31.700 -1.479 0.000 1.072 96 F N 0.135 120.064 119.950 -0.035 0.000 2.713 96 F HA 0.477 5.004 4.527 0.000 0.000 0.294 96 F C 1.808 177.626 175.800 0.029 0.000 1.152 96 F CA 0.178 58.194 58.000 0.026 0.000 1.385 96 F CB -0.154 38.866 39.000 0.032 0.000 0.981 96 F HN 0.088 nan 8.300 nan 0.000 0.514 97 G N -1.140 107.737 108.800 0.128 0.000 2.699 97 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.198 97 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.198 97 G C 0.558 175.502 174.900 0.073 0.000 1.033 97 G CA -0.198 44.959 45.100 0.095 0.000 0.728 97 G HN 0.181 nan 8.290 nan 0.000 0.484 98 S N 0.989 116.739 115.700 0.083 0.000 2.624 98 S HA 0.646 5.116 4.470 -0.000 0.000 0.263 98 S C 0.897 175.505 174.600 0.014 0.000 1.287 98 S CA 0.266 58.518 58.200 0.086 0.000 0.990 98 S CB 1.186 64.472 63.200 0.144 0.000 0.950 98 S HN 1.555 nan 8.310 nan 0.000 0.561 99 A N 0.690 123.534 122.820 0.041 0.000 2.511 99 A HA 0.560 4.880 4.320 -0.000 0.000 0.242 99 A C 0.757 178.044 177.584 -0.494 0.000 1.069 99 A CA 0.510 52.541 52.037 -0.010 0.000 0.763 99 A CB -0.691 18.431 19.000 0.203 0.000 1.001 99 A HN 1.104 nan 8.150 nan 0.000 0.498 100 G N 1.269 109.521 108.800 -0.913 0.000 2.340 100 G HA2 0.463 4.423 3.960 -0.000 0.000 0.299 100 G HA3 0.463 4.423 3.960 -0.000 0.000 0.299 100 G C -2.660 171.709 174.900 -0.886 0.000 1.291 100 G CA -0.064 44.037 45.100 -1.666 0.000 0.841 100 G HN 0.228 nan 8.290 nan 0.000 0.500 101 P HA -0.028 nan 4.420 nan 0.000 0.217 101 P C 1.586 178.869 177.300 -0.028 0.000 1.148 101 P CA 1.548 64.586 63.100 -0.103 0.000 0.834 101 P CB 0.146 31.805 31.700 -0.070 0.000 0.783 102 C N -1.657 117.580 119.300 -0.105 0.000 2.697 102 C HA 0.193 4.653 4.460 -0.000 0.000 0.267 102 C C 1.430 176.432 174.990 0.019 0.000 1.278 102 C CA -0.020 58.982 59.018 -0.026 0.000 1.708 102 C CB -1.533 26.185 27.740 -0.036 0.000 1.860 102 C HN 0.262 nan 8.230 nan 0.000 0.589 103 S N 1.093 116.822 115.700 0.049 0.000 2.654 103 S HA 0.518 4.988 4.470 -0.000 0.000 0.283 103 S C -3.102 171.568 174.600 0.116 0.000 1.180 103 S CA -1.170 57.088 58.200 0.096 0.000 1.021 103 S CB 0.849 64.110 63.200 0.102 0.000 1.018 103 S HN 0.011 nan 8.310 nan 0.000 0.532 104 P HA 0.159 nan 4.420 nan 0.000 0.267 104 P C -0.924 176.226 177.300 -0.250 0.000 1.205 104 P CA 0.090 63.150 63.100 -0.066 0.000 0.765 104 P CB 0.217 31.898 31.700 -0.032 0.000 0.828 105 D N 5.255 125.394 120.400 -0.436 0.000 2.336 105 D HA 0.072 4.712 4.640 -0.000 0.000 0.249 105 D C -1.298 174.797 176.300 -0.342 0.000 1.213 105 D CA -2.285 51.264 54.000 -0.753 0.000 0.870 105 D CB 0.643 41.082 40.800 -0.602 0.000 1.076 105 D HN 0.188 nan 8.370 nan 0.000 0.483 106 P HA -0.080 nan 4.420 nan 0.000 0.222 106 P C 0.102 177.361 177.300 -0.068 0.000 1.147 106 P CA 0.595 63.642 63.100 -0.087 0.000 0.790 106 P CB 0.415 32.110 31.700 -0.008 0.000 0.780 107 D N -0.311 120.038 120.400 -0.085 0.000 2.504 107 D HA 0.273 4.912 4.640 -0.000 0.000 0.243 107 D C 0.996 177.261 176.300 -0.058 0.000 1.203 107 D CA 0.221 54.191 54.000 -0.049 0.000 0.847 107 D CB -0.311 40.474 40.800 -0.024 0.000 0.973 107 D HN 0.165 nan 8.370 nan 0.000 0.490 108 A N 0.006 122.783 122.820 -0.072 0.000 2.554 108 A HA 0.245 4.565 4.320 -0.000 0.000 0.266 108 A C 0.605 178.155 177.584 -0.055 0.000 0.938 108 A CA -0.300 51.698 52.037 -0.065 0.000 1.045 108 A CB 0.235 19.183 19.000 -0.086 0.000 1.198 108 A HN -0.017 nan 8.150 nan 0.000 0.528 109 E N -1.588 118.584 120.200 -0.047 0.000 3.170 109 E HA -0.221 4.129 4.350 -0.000 0.000 0.284 109 E C 1.037 177.615 176.600 -0.037 0.000 0.967 109 E CA 1.925 58.305 56.400 -0.034 0.000 0.919 109 E CB -1.938 27.748 29.700 -0.023 0.000 1.469 109 E HN 2.027 nan 8.360 nan 0.000 0.444 110 G N -0.578 108.186 108.800 -0.060 0.000 2.160 110 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.251 110 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.251 110 G C 0.677 175.548 174.900 -0.048 0.000 1.008 110 G CA 0.840 45.905 45.100 -0.059 0.000 0.724 110 G HN 0.301 nan 8.290 nan 0.000 0.514 111 Q N -0.667 119.102 119.800 -0.051 0.000 2.339 111 Q HA 0.298 4.638 4.340 -0.000 0.000 0.205 111 Q C 1.564 177.537 176.000 -0.044 0.000 0.925 111 Q CA 0.959 56.738 55.803 -0.039 0.000 0.898 111 Q CB 0.255 28.973 28.738 -0.033 0.000 1.013 111 Q HN 0.708 nan 8.270 nan 0.000 0.504 112 R N 0.277 120.740 120.500 -0.061 0.000 2.787 112 R HA 0.493 4.833 4.340 -0.000 0.000 0.271 112 R C -2.433 173.817 176.300 -0.084 0.000 0.993 112 R CA -2.200 53.862 56.100 -0.062 0.000 0.993 112 R CB 1.366 31.629 30.300 -0.061 0.000 1.155 112 R HN 0.052 nan 8.270 nan 0.000 0.486 113 P HA 0.069 nan 4.420 nan 0.000 0.279 113 P C -0.091 177.195 177.300 -0.022 0.000 1.252 113 P CA -0.201 62.877 63.100 -0.037 0.000 0.811 113 P CB 0.515 32.221 31.700 0.010 0.000 1.035 114 Y N 1.110 121.436 120.300 0.044 0.000 2.139 114 Y HA -0.210 4.339 4.550 -0.000 0.000 0.282 114 Y C 2.258 178.188 175.900 0.050 0.000 1.179 114 Y CA 2.315 60.471 58.100 0.093 0.000 1.161 114 Y CB -1.163 37.439 38.460 0.235 0.000 0.970 114 Y HN 0.697 nan 8.280 nan 0.000 0.511 115 G N -0.001 108.899 108.800 0.167 0.000 2.611 115 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.301 115 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.301 115 G C 1.225 176.174 174.900 0.080 0.000 1.233 115 G CA 0.760 45.880 45.100 0.034 0.000 0.993 115 G HN 0.805 nan 8.290 nan 0.000 0.553 116 A N -0.790 122.043 122.820 0.023 0.000 2.216 116 A HA 0.220 4.540 4.320 -0.000 0.000 0.214 116 A C 1.969 179.622 177.584 0.116 0.000 1.160 116 A CA 2.243 54.322 52.037 0.070 0.000 0.725 116 A CB -0.211 18.789 19.000 0.000 0.000 0.784 116 A HN 0.424 nan 8.150 nan 0.000 0.472 117 K N -0.943 119.543 120.400 0.143 0.000 2.387 117 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 117 K C -0.267 176.449 176.600 0.194 0.000 1.022 117 K CA -0.482 55.894 56.287 0.147 0.000 1.128 117 K CB -0.518 32.062 32.500 0.132 0.000 0.853 117 K HN 0.495 nan 8.250 nan 0.000 0.523 118 F N 3.731 123.714 119.950 0.055 0.000 2.578 118 F HA 0.080 4.607 4.527 -0.000 0.000 0.381 118 F C -1.749 173.996 175.800 -0.091 0.000 1.069 118 F CA -1.781 56.138 58.000 -0.135 0.000 1.231 118 F CB 0.438 39.304 39.000 -0.223 0.000 1.086 118 F HN -0.040 nan 8.300 nan 0.000 0.564 119 P HA 0.034 nan 4.420 nan 0.000 0.269 119 P C -0.690 176.363 177.300 -0.412 0.000 1.215 119 P CA -0.382 62.428 63.100 -0.484 0.000 0.780 119 P CB 0.473 31.869 31.700 -0.507 0.000 0.898 120 R N 1.760 122.154 120.500 -0.176 0.000 2.522 120 R HA 0.171 4.511 4.340 -0.000 0.000 0.284 120 R C -0.049 176.192 176.300 -0.100 0.000 1.032 120 R CA 0.661 56.710 56.100 -0.084 0.000 1.049 120 R CB -0.204 30.070 30.300 -0.043 0.000 0.956 120 R HN 0.665 nan 8.270 nan 0.000 0.422 121 T N -0.182 114.352 114.554 -0.034 0.000 2.924 121 T HA 0.546 4.896 4.350 -0.000 0.000 0.291 121 T C 0.107 174.786 174.700 -0.035 0.000 1.045 121 T CA -0.778 61.313 62.100 -0.015 0.000 1.015 121 T CB 1.963 70.869 68.868 0.063 0.000 1.103 121 T HN 0.570 nan 8.240 nan 0.000 0.496 122 T N -0.762 113.761 114.554 -0.051 0.000 2.940 122 T HA 0.514 4.864 4.350 -0.000 0.000 0.288 122 T C 1.441 176.042 174.700 -0.165 0.000 1.045 122 T CA -1.147 60.892 62.100 -0.101 0.000 1.018 122 T CB 0.726 69.538 68.868 -0.093 0.000 1.151 122 T HN 0.400 nan 8.240 nan 0.000 0.529 123 I N 0.599 121.005 120.570 -0.273 0.000 2.151 123 I HA -0.154 4.016 4.170 -0.000 0.000 0.243 123 I C 2.758 178.657 176.117 -0.364 0.000 1.080 123 I CA 1.560 62.547 61.300 -0.521 0.000 1.339 123 I CB -1.239 36.386 38.000 -0.625 0.000 1.039 123 I HN 0.747 nan 8.210 nan 0.000 0.409 124 R N 0.535 120.888 120.500 -0.245 0.000 2.105 124 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 124 R C 1.932 178.163 176.300 -0.115 0.000 1.135 124 R CA 1.514 57.493 56.100 -0.203 0.000 0.967 124 R CB -0.303 29.892 30.300 -0.176 0.000 0.861 124 R HN 0.425 nan 8.270 nan 0.000 0.442 125 D N 0.612 120.984 120.400 -0.047 0.000 2.104 125 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 125 D C 1.485 177.769 176.300 -0.027 0.000 0.994 125 D CA 1.208 55.267 54.000 0.098 0.000 0.830 125 D CB -0.319 40.551 40.800 0.116 0.000 0.959 125 D HN 0.152 nan 8.370 nan 0.000 0.452 126 D N 0.338 120.664 120.400 -0.123 0.000 2.087 126 D HA -0.121 4.518 4.640 -0.000 0.000 0.192 126 D C 2.363 178.410 176.300 -0.422 0.000 0.993 126 D CA 0.609 54.443 54.000 -0.277 0.000 0.828 126 D CB -0.463 40.316 40.800 -0.034 0.000 0.968 126 D HN 0.044 nan 8.370 nan 0.000 0.448 127 V N 1.082 120.832 119.914 -0.274 0.000 2.324 127 V HA -0.282 3.838 4.120 -0.000 0.000 0.250 127 V C 2.540 178.459 176.094 -0.292 0.000 1.060 127 V CA 1.815 63.828 62.300 -0.479 0.000 1.042 127 V CB -0.379 31.020 31.823 -0.708 0.000 0.650 127 V HN 0.133 nan 8.190 nan 0.000 0.450 128 R N -0.705 119.742 120.500 -0.089 0.000 2.075 128 R HA -0.035 4.305 4.340 -0.000 0.000 0.232 128 R C 2.311 178.687 176.300 0.127 0.000 1.126 128 R CA 1.698 57.890 56.100 0.153 0.000 0.963 128 R CB -0.361 30.115 30.300 0.293 0.000 0.858 128 R HN 0.467 nan 8.270 nan 0.000 0.435 129 I N 0.172 120.625 120.570 -0.196 0.000 2.394 129 I HA -0.263 3.907 4.170 -0.000 0.000 0.251 129 I C 1.651 177.777 176.117 0.015 0.000 1.136 129 I CA 1.433 62.477 61.300 -0.426 0.000 1.425 129 I CB 0.004 37.385 38.000 -1.032 0.000 1.079 129 I HN 0.313 nan 8.210 nan 0.000 0.425 130 H N -0.226 118.871 119.070 0.045 0.000 2.353 130 H HA -0.220 4.336 4.556 -0.000 0.000 0.300 130 H C 2.279 177.784 175.328 0.294 0.000 1.090 130 H CA 1.252 57.427 56.048 0.213 0.000 1.327 130 H CB 0.004 30.031 29.762 0.442 0.000 1.383 130 H HN 0.266 nan 8.280 nan 0.000 0.508 131 R N 1.420 122.174 120.500 0.424 0.000 2.120 131 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 131 R C 2.072 178.480 176.300 0.180 0.000 1.123 131 R CA 1.406 57.726 56.100 0.367 0.000 0.975 131 R CB -0.041 30.342 30.300 0.139 0.000 0.866 131 R HN 0.393 nan 8.270 nan 0.000 0.446 132 Q N -0.097 119.789 119.800 0.143 0.000 2.084 132 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 132 Q C 2.160 178.209 176.000 0.082 0.000 0.978 132 Q CA 1.917 57.782 55.803 0.103 0.000 0.844 132 Q CB 0.009 28.820 28.738 0.123 0.000 0.898 132 Q HN 0.254 nan 8.270 nan 0.000 0.426 133 V N 1.335 121.299 119.914 0.083 0.000 2.332 133 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 133 V C 2.233 178.318 176.094 -0.016 0.000 1.055 133 V CA 1.585 63.893 62.300 0.013 0.000 1.038 133 V CB -0.580 31.218 31.823 -0.041 0.000 0.651 133 V HN 0.358 nan 8.190 nan 0.000 0.450 134 L N -0.305 120.953 121.223 0.059 0.000 2.083 134 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 134 L C 2.405 179.313 176.870 0.064 0.000 1.083 134 L CA 1.503 56.386 54.840 0.072 0.000 0.752 134 L CB -0.835 41.332 42.059 0.180 0.000 0.899 134 L HN 0.337 nan 8.230 nan 0.000 0.433 135 D N 0.037 120.477 120.400 0.066 0.000 2.104 135 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 135 D C 2.349 178.660 176.300 0.018 0.000 0.994 135 D CA 1.021 55.041 54.000 0.033 0.000 0.830 135 D CB -0.174 40.633 40.800 0.011 0.000 0.959 135 D HN 0.174 nan 8.370 nan 0.000 0.452 136 R N 0.149 120.659 120.500 0.017 0.000 2.105 136 R HA -0.047 4.293 4.340 -0.000 0.000 0.239 136 R C 2.372 178.670 176.300 -0.003 0.000 1.135 136 R CA 0.523 56.630 56.100 0.012 0.000 0.967 136 R CB -0.427 29.887 30.300 0.022 0.000 0.861 136 R HN 0.301 nan 8.270 nan 0.000 0.442 137 L N -0.637 120.573 121.223 -0.021 0.000 2.465 137 L HA 0.039 4.379 4.340 -0.000 0.000 0.224 137 L C 1.289 178.121 176.870 -0.063 0.000 1.145 137 L CA 0.762 55.576 54.840 -0.043 0.000 0.834 137 L CB -0.151 41.873 42.059 -0.058 0.000 0.944 137 L HN 0.448 nan 8.230 nan 0.000 0.451 138 G N -0.101 108.679 108.800 -0.033 0.000 2.141 138 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.242 138 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.242 138 G C 0.236 175.117 174.900 -0.031 0.000 0.982 138 G CA -0.025 45.055 45.100 -0.034 0.000 0.662 138 G HN 0.082 nan 8.290 nan 0.000 0.527 139 V N 0.635 120.544 119.914 -0.007 0.000 2.540 139 V HA 0.185 4.305 4.120 -0.000 0.000 0.297 139 V C 1.735 177.886 176.094 0.094 0.000 1.024 139 V CA 0.992 63.309 62.300 0.029 0.000 1.105 139 V CB 1.074 32.945 31.823 0.080 0.000 0.938 139 V HN 0.492 nan 8.190 nan 0.000 0.482 140 R N 2.548 123.093 120.500 0.075 0.000 2.195 140 R HA 0.229 4.569 4.340 -0.000 0.000 0.197 140 R C 0.623 177.023 176.300 0.167 0.000 0.990 140 R CA 0.215 56.384 56.100 0.114 0.000 1.048 140 R CB 0.551 30.885 30.300 0.057 0.000 0.997 140 R HN 0.747 nan 8.270 nan 0.000 0.502 141 Q N 0.353 120.186 119.800 0.054 0.000 2.391 141 Q HA 0.393 4.733 4.340 -0.000 0.000 0.279 141 Q C -1.710 174.180 176.000 -0.184 0.000 1.028 141 Q CA -0.575 55.193 55.803 -0.057 0.000 0.836 141 Q CB 2.295 31.033 28.738 0.001 0.000 1.414 141 Q HN 0.035 nan 8.270 nan 0.000 0.397 142 I N 2.726 123.080 120.570 -0.361 0.000 2.312 142 I HA 0.318 4.488 4.170 -0.000 0.000 0.290 142 I C 0.831 176.829 176.117 -0.199 0.000 1.008 142 I CA -0.180 60.929 61.300 -0.318 0.000 1.226 142 I CB 1.679 39.382 38.000 -0.495 0.000 1.371 142 I HN 0.878 nan 8.210 nan 0.000 0.468 143 A N 5.372 128.103 122.820 -0.150 0.000 1.898 143 A HA 0.414 4.734 4.320 -0.000 0.000 0.216 143 A C 1.054 178.537 177.584 -0.169 0.000 1.181 143 A CA 1.443 53.404 52.037 -0.127 0.000 0.620 143 A CB -0.017 18.922 19.000 -0.101 0.000 0.819 143 A HN 0.798 nan 8.150 nan 0.000 0.442 144 A N -1.946 120.747 122.820 -0.210 0.000 2.594 144 A HA 0.539 4.859 4.320 -0.000 0.000 0.296 144 A C -1.008 176.468 177.584 -0.180 0.000 1.061 144 A CA 0.210 52.154 52.037 -0.154 0.000 0.689 144 A CB 0.744 19.655 19.000 -0.148 0.000 1.280 144 A HN 1.344 nan 8.150 nan 0.000 0.406 145 V N 1.888 121.739 119.914 -0.106 0.000 2.495 145 V HA 0.838 4.958 4.120 -0.000 0.000 0.298 145 V C -1.238 174.865 176.094 0.014 0.000 1.031 145 V CA -0.394 61.829 62.300 -0.128 0.000 0.871 145 V CB 1.507 33.158 31.823 -0.285 0.000 0.988 145 V HN 1.054 nan 8.190 nan 0.000 0.432 146 V N 5.801 125.737 119.914 0.037 0.000 2.577 146 V HA 0.986 5.106 4.120 -0.000 0.000 0.303 146 V C 0.384 176.617 176.094 0.231 0.000 1.042 146 V CA 0.267 62.663 62.300 0.160 0.000 0.872 146 V CB 1.388 33.361 31.823 0.251 0.000 0.998 146 V HN 1.326 nan 8.190 nan 0.000 0.423 147 G N 2.612 111.563 108.800 0.251 0.000 2.702 147 G HA2 0.755 4.715 3.960 -0.000 0.000 0.296 147 G HA3 0.755 4.715 3.960 -0.000 0.000 0.296 147 G C -1.314 173.650 174.900 0.108 0.000 1.463 147 G CA -0.001 45.241 45.100 0.237 0.000 0.890 147 G HN 1.080 nan 8.290 nan 0.000 0.534 148 A N 0.958 123.719 122.820 -0.097 0.000 2.340 148 A HA 0.968 5.288 4.320 -0.000 0.000 0.331 148 A C 0.850 178.123 177.584 -0.520 0.000 1.140 148 A CA 0.723 52.445 52.037 -0.525 0.000 0.801 148 A CB 1.282 19.368 19.000 -1.523 0.000 1.234 148 A HN 2.576 nan 8.150 nan 0.000 0.469 149 S N 0.589 116.045 115.700 -0.406 0.000 4.118 149 S HA -0.333 4.137 4.470 -0.000 0.000 0.624 149 S C 1.638 176.185 174.600 -0.089 0.000 1.929 149 S CA 1.978 60.077 58.200 -0.168 0.000 4.219 149 S CB -1.774 61.447 63.200 0.036 0.000 0.206 149 S HN 1.731 nan 8.310 nan 0.000 0.525 150 M N 1.345 120.990 119.600 0.075 0.000 2.106 150 M HA -0.059 4.421 4.480 -0.000 0.000 0.259 150 M C 1.908 178.235 176.300 0.045 0.000 1.068 150 M CA 2.760 58.094 55.300 0.058 0.000 1.100 150 M CB -0.998 31.567 32.600 -0.059 0.000 1.351 150 M HN 0.684 nan 8.290 nan 0.000 0.404 151 G N -1.227 107.609 108.800 0.060 0.000 2.509 151 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.218 151 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.218 151 G C 1.327 176.316 174.900 0.148 0.000 1.124 151 G CA 0.628 45.823 45.100 0.157 0.000 0.776 151 G HN 0.638 nan 8.290 nan 0.000 0.547 152 G N 0.667 109.489 108.800 0.037 0.000 2.443 152 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.219 152 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.219 152 G C 1.772 176.698 174.900 0.045 0.000 1.131 152 G CA 0.729 45.856 45.100 0.045 0.000 0.775 152 G HN 0.443 nan 8.290 nan 0.000 0.547 153 M N -0.369 119.193 119.600 -0.064 0.000 2.081 153 M HA 0.054 4.534 4.480 -0.000 0.000 0.261 153 M C 2.345 178.560 176.300 -0.141 0.000 1.075 153 M CA 1.235 56.350 55.300 -0.307 0.000 1.133 153 M CB -0.529 31.571 32.600 -0.833 0.000 1.330 153 M HN 0.198 nan 8.290 nan 0.000 0.414 154 H N 0.055 119.064 119.070 -0.101 0.000 2.325 154 H HA -0.163 4.393 4.556 -0.000 0.000 0.293 154 H C 2.192 177.725 175.328 0.341 0.000 1.106 154 H CA 2.258 58.357 56.048 0.085 0.000 1.247 154 H CB -0.986 28.881 29.762 0.176 0.000 1.359 154 H HN 0.336 nan 8.280 nan 0.000 0.488 155 T N 0.548 115.362 114.554 0.434 0.000 2.684 155 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 155 T C 2.188 177.096 174.700 0.347 0.000 1.036 155 T CA 1.411 63.750 62.100 0.399 0.000 1.148 155 T CB -0.358 68.655 68.868 0.242 0.000 0.863 155 T HN 0.189 nan 8.240 nan 0.000 0.436 156 L N 0.643 122.026 121.223 0.267 0.000 2.083 156 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 156 L C 2.902 179.998 176.870 0.377 0.000 1.083 156 L CA 1.086 56.093 54.840 0.277 0.000 0.752 156 L CB -0.458 41.764 42.059 0.273 0.000 0.899 156 L HN 0.166 nan 8.230 nan 0.000 0.433 157 E N -0.531 119.843 120.200 0.290 0.000 2.106 157 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 157 E C 2.018 178.717 176.600 0.166 0.000 0.984 157 E CA 1.240 57.752 56.400 0.187 0.000 0.806 157 E CB -0.252 29.405 29.700 -0.071 0.000 0.750 157 E HN 0.533 nan 8.360 nan 0.000 0.458 158 W N 1.364 122.773 121.300 0.181 0.000 2.325 158 W HA -0.189 4.471 4.660 0.000 0.000 0.299 158 W C 2.508 179.158 176.519 0.218 0.000 1.215 158 W CA 1.412 58.900 57.345 0.237 0.000 1.244 158 W CB -0.351 29.276 29.460 0.277 0.000 1.140 158 W HN 0.081 nan 8.180 nan 0.000 0.523 159 A N -0.832 122.195 122.820 0.345 0.000 2.024 159 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 159 A C 1.470 179.041 177.584 -0.022 0.000 1.164 159 A CA 1.136 53.237 52.037 0.107 0.000 0.643 159 A CB -1.167 17.771 19.000 -0.103 0.000 0.806 159 A HN 0.322 nan 8.150 nan 0.000 0.451 160 F N -1.694 118.276 119.950 0.034 0.000 2.802 160 F HA 0.150 4.677 4.527 -0.000 0.000 0.300 160 F C 1.248 177.016 175.800 -0.054 0.000 1.168 160 F CA 0.147 58.119 58.000 -0.046 0.000 1.433 160 F CB -0.407 38.511 39.000 -0.136 0.000 1.115 160 F HN 0.242 nan 8.300 nan 0.000 0.582 161 F N 0.407 120.527 119.950 0.284 0.000 2.748 161 F HA 0.220 4.746 4.527 -0.000 0.000 0.299 161 F C 1.534 177.466 175.800 0.220 0.000 1.154 161 F CA 0.432 58.591 58.000 0.266 0.000 1.446 161 F CB -0.404 38.860 39.000 0.439 0.000 1.112 161 F HN 0.015 nan 8.300 nan 0.000 0.584 162 G N 0.645 109.629 108.800 0.307 0.000 2.690 162 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 162 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 162 G C -2.293 172.721 174.900 0.189 0.000 1.277 162 G CA -0.670 44.547 45.100 0.195 0.000 0.799 162 G HN -0.064 nan 8.290 nan 0.000 0.613 163 P HA 0.036 nan 4.420 nan 0.000 0.237 163 P C 1.099 178.458 177.300 0.098 0.000 1.178 163 P CA 1.133 64.286 63.100 0.089 0.000 0.766 163 P CB 0.422 32.155 31.700 0.055 0.000 0.876 164 E N -0.625 119.656 120.200 0.135 0.000 2.051 164 E HA -0.157 4.193 4.350 -0.000 0.000 0.189 164 E C 1.834 178.548 176.600 0.191 0.000 0.979 164 E CA 1.069 57.552 56.400 0.139 0.000 0.803 164 E CB -0.828 28.959 29.700 0.145 0.000 0.761 164 E HN 0.130 nan 8.360 nan 0.000 0.451 165 Y N -0.446 119.910 120.300 0.094 0.000 2.301 165 Y HA 0.255 4.805 4.550 -0.000 0.000 0.295 165 Y C 0.035 176.002 175.900 0.111 0.000 1.119 165 Y CA 0.458 58.612 58.100 0.090 0.000 1.162 165 Y CB 0.580 39.094 38.460 0.089 0.000 1.046 165 Y HN -0.198 nan 8.280 nan 0.000 0.538 166 V N 3.192 123.162 119.914 0.093 0.000 2.334 166 V HA 0.276 4.396 4.120 -0.000 0.000 0.281 166 V C 0.626 176.737 176.094 0.029 0.000 1.016 166 V CA -0.511 61.794 62.300 0.008 0.000 0.832 166 V CB 1.413 33.348 31.823 0.188 0.000 0.999 166 V HN 0.248 nan 8.190 nan 0.000 0.439 167 R N 2.613 123.097 120.500 -0.026 0.000 2.093 167 R HA 0.166 4.506 4.340 -0.000 0.000 0.224 167 R C 0.165 176.469 176.300 0.006 0.000 1.101 167 R CA 0.797 56.890 56.100 -0.011 0.000 0.979 167 R CB 0.284 30.561 30.300 -0.039 0.000 0.877 167 R HN 0.510 nan 8.270 nan 0.000 0.441 168 K N 0.408 120.817 120.400 0.014 0.000 2.527 168 K HA 0.401 4.721 4.320 -0.000 0.000 0.260 168 K C -1.137 175.541 176.600 0.129 0.000 0.937 168 K CA -0.608 55.733 56.287 0.091 0.000 0.826 168 K CB 2.779 35.293 32.500 0.022 0.000 1.359 168 K HN -0.041 nan 8.250 nan 0.000 0.434 169 I N -1.938 118.751 120.570 0.199 0.000 2.689 169 I HA 0.630 4.800 4.170 -0.000 0.000 0.299 169 I C -0.865 175.337 176.117 0.142 0.000 1.059 169 I CA -1.088 60.305 61.300 0.155 0.000 1.055 169 I CB 2.176 40.250 38.000 0.124 0.000 1.243 169 I HN 0.187 nan 8.210 nan 0.000 0.425 170 V N 5.100 125.079 119.914 0.108 0.000 2.380 170 V HA 0.390 4.509 4.120 -0.000 0.000 0.268 170 V C -2.389 173.754 176.094 0.082 0.000 1.008 170 V CA -1.164 61.161 62.300 0.041 0.000 0.823 170 V CB 0.977 32.834 31.823 0.057 0.000 1.053 170 V HN 0.660 nan 8.190 nan 0.000 0.446 171 P HA 0.450 nan 4.420 nan 0.000 0.281 171 P C -0.692 176.684 177.300 0.127 0.000 1.252 171 P CA 0.008 63.174 63.100 0.110 0.000 0.778 171 P CB 1.511 33.279 31.700 0.114 0.000 0.895 172 I N 1.933 122.570 120.570 0.113 0.000 2.466 172 I HA 0.455 4.625 4.170 -0.000 0.000 0.289 172 I C 0.223 176.403 176.117 0.104 0.000 1.026 172 I CA -1.070 60.305 61.300 0.125 0.000 1.078 172 I CB 1.828 39.880 38.000 0.086 0.000 1.249 172 I HN 0.444 nan 8.210 nan 0.000 0.429 173 A N 3.359 126.358 122.820 0.299 0.000 2.416 173 A HA -0.132 4.188 4.320 -0.000 0.000 0.293 173 A C 0.148 177.857 177.584 0.210 0.000 1.452 173 A CA 1.386 53.682 52.037 0.430 0.000 0.738 173 A CB -1.636 17.598 19.000 0.390 0.000 1.123 173 A HN 0.873 nan 8.150 nan 0.000 0.389 174 T N -1.105 113.588 114.554 0.231 0.000 2.645 174 T HA 0.858 5.208 4.350 -0.000 0.000 0.300 174 T C -0.198 174.392 174.700 -0.183 0.000 1.210 174 T CA 0.699 62.594 62.100 -0.341 0.000 1.034 174 T CB 1.410 70.202 68.868 -0.126 0.000 1.537 174 T HN 2.118 nan 8.240 nan 0.000 0.492 175 S N -0.850 114.817 115.700 -0.054 0.000 2.627 175 S HA 0.470 4.940 4.470 -0.000 0.000 0.283 175 S C 0.688 175.438 174.600 0.251 0.000 1.127 175 S CA -0.595 57.699 58.200 0.156 0.000 0.863 175 S CB 1.015 64.442 63.200 0.378 0.000 1.121 175 S HN 0.809 nan 8.310 nan 0.000 0.479 176 C N 0.789 120.181 119.300 0.152 0.000 2.533 176 C HA 0.404 4.864 4.460 -0.000 0.000 0.272 176 C C 1.178 176.038 174.990 -0.217 0.000 1.371 176 C CA 0.175 59.236 59.018 0.071 0.000 1.758 176 C CB -1.435 26.313 27.740 0.013 0.000 1.972 176 C HN 0.932 nan 8.230 nan 0.000 0.522 177 R N -0.859 119.586 120.500 -0.093 0.000 2.741 177 R HA 0.453 4.793 4.340 -0.000 0.000 0.274 177 R C -1.330 175.028 176.300 0.096 0.000 1.029 177 R CA -0.660 55.333 56.100 -0.178 0.000 0.880 177 R CB 0.322 30.525 30.300 -0.162 0.000 1.264 177 R HN -0.088 nan 8.270 nan 0.000 0.465 178 Q N 1.477 121.338 119.800 0.101 0.000 2.364 178 Q HA 0.299 4.639 4.340 -0.000 0.000 0.267 178 Q C -0.889 175.178 176.000 0.113 0.000 0.999 178 Q CA 0.329 56.221 55.803 0.149 0.000 0.886 178 Q CB 1.056 29.873 28.738 0.132 0.000 1.243 178 Q HN 0.677 nan 8.270 nan 0.000 0.415 179 S N 1.459 117.239 115.700 0.134 0.000 2.621 179 S HA 0.673 5.143 4.470 -0.000 0.000 0.302 179 S C 0.932 175.614 174.600 0.137 0.000 1.093 179 S CA -0.482 57.795 58.200 0.130 0.000 1.017 179 S CB 1.541 64.835 63.200 0.157 0.000 1.077 179 S HN 0.753 nan 8.310 nan 0.000 0.517 180 G N 0.413 109.291 108.800 0.131 0.000 2.422 180 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 180 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 180 G C 1.099 176.100 174.900 0.168 0.000 1.146 180 G CA 0.360 45.532 45.100 0.119 0.000 0.769 180 G HN 0.832 nan 8.290 nan 0.000 0.547 181 W N 0.632 121.933 121.300 0.001 0.000 2.332 181 W HA -0.219 4.441 4.660 -0.000 0.000 0.321 181 W C 2.344 178.925 176.519 0.103 0.000 1.219 181 W CA 1.546 58.904 57.345 0.021 0.000 1.277 181 W CB -0.543 28.946 29.460 0.047 0.000 1.161 181 W HN 0.266 nan 8.180 nan 0.000 0.476 182 C N 0.753 120.135 119.300 0.136 0.000 2.425 182 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 182 C C 3.134 178.215 174.990 0.152 0.000 1.280 182 C CA 1.561 60.618 59.018 0.065 0.000 1.744 182 C CB -1.654 26.101 27.740 0.025 0.000 1.989 182 C HN 0.502 nan 8.230 nan 0.000 0.491 183 A N 0.623 123.512 122.820 0.114 0.000 1.908 183 A HA 0.023 4.343 4.320 -0.000 0.000 0.218 183 A C 2.353 179.965 177.584 0.046 0.000 1.181 183 A CA 2.163 54.268 52.037 0.113 0.000 0.627 183 A CB -0.816 18.236 19.000 0.087 0.000 0.818 183 A HN 0.583 nan 8.150 nan 0.000 0.445 184 A N -1.584 121.191 122.820 -0.075 0.000 1.897 184 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 184 A C 1.993 179.369 177.584 -0.347 0.000 1.181 184 A CA 1.166 53.066 52.037 -0.229 0.000 0.620 184 A CB -0.835 17.964 19.000 -0.336 0.000 0.821 184 A HN 0.734 nan 8.150 nan 0.000 0.443 185 W N -1.037 120.035 121.300 -0.380 0.000 2.354 185 W HA -0.141 4.519 4.660 0.000 0.000 0.315 185 W C 2.051 178.275 176.519 -0.491 0.000 1.206 185 W CA 1.057 58.071 57.345 -0.551 0.000 1.290 185 W CB -0.535 28.419 29.460 -0.843 0.000 1.152 185 W HN 0.359 nan 8.180 nan 0.000 0.489 186 F N 0.000 119.976 119.950 0.042 0.000 2.186 186 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 186 F C 2.348 178.158 175.800 0.017 0.000 1.090 186 F CA 1.552 59.572 58.000 0.034 0.000 1.307 186 F CB -0.815 38.206 39.000 0.035 0.000 1.019 186 F HN -0.183 nan 8.300 nan 0.000 0.489 187 E N 0.441 120.725 120.200 0.140 0.000 2.085 187 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 187 E C 2.076 178.663 176.600 -0.022 0.000 0.994 187 E CA 2.127 58.563 56.400 0.060 0.000 0.801 187 E CB -0.687 29.040 29.700 0.046 0.000 0.743 187 E HN 0.207 nan 8.360 nan 0.000 0.453 188 T N 0.743 115.255 114.554 -0.070 0.000 2.684 188 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 188 T C 1.809 176.461 174.700 -0.081 0.000 1.036 188 T CA 1.696 63.736 62.100 -0.100 0.000 1.148 188 T CB -0.277 68.494 68.868 -0.161 0.000 0.863 188 T HN 0.303 nan 8.240 nan 0.000 0.436 189 Q N 0.436 120.211 119.800 -0.043 0.000 2.061 189 Q HA -0.090 4.250 4.340 -0.000 0.000 0.204 189 Q C 2.663 178.630 176.000 -0.056 0.000 0.984 189 Q CA 1.378 57.174 55.803 -0.011 0.000 0.846 189 Q CB -0.175 28.632 28.738 0.115 0.000 0.902 189 Q HN 0.434 nan 8.270 nan 0.000 0.421 190 R N 0.507 120.950 120.500 -0.095 0.000 2.091 190 R HA -0.171 4.169 4.340 -0.000 0.000 0.238 190 R C 2.312 178.072 176.300 -0.900 0.000 1.136 190 R CA 1.549 57.387 56.100 -0.436 0.000 0.959 190 R CB -0.214 29.848 30.300 -0.398 0.000 0.856 190 R HN 0.403 nan 8.270 nan 0.000 0.437 191 Q N -0.143 119.345 119.800 -0.521 0.000 2.181 191 Q HA -0.208 4.132 4.340 -0.000 0.000 0.205 191 Q C 2.355 178.244 176.000 -0.185 0.000 0.980 191 Q CA 1.538 57.189 55.803 -0.254 0.000 0.862 191 Q CB -0.287 28.431 28.738 -0.033 0.000 0.905 191 Q HN 0.443 nan 8.270 nan 0.000 0.429 192 C N 0.324 119.514 119.300 -0.183 0.000 2.413 192 C HA -0.157 4.303 4.460 -0.000 0.000 0.276 192 C C 2.516 177.410 174.990 -0.160 0.000 1.248 192 C CA 0.515 59.453 59.018 -0.132 0.000 1.742 192 C CB -0.929 26.742 27.740 -0.116 0.000 2.017 192 C HN 0.466 nan 8.230 nan 0.000 0.481 193 I N -0.334 120.073 120.570 -0.271 0.000 2.202 193 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 193 I C 2.422 178.302 176.117 -0.395 0.000 1.091 193 I CA 1.629 62.732 61.300 -0.328 0.000 1.368 193 I CB -0.587 37.191 38.000 -0.370 0.000 1.058 193 I HN 0.250 nan 8.210 nan 0.000 0.410 194 Y N 0.859 120.909 120.300 -0.417 0.000 2.256 194 Y HA -0.255 4.295 4.550 -0.000 0.000 0.288 194 Y C 2.166 178.042 175.900 -0.040 0.000 1.155 194 Y CA 0.787 58.697 58.100 -0.317 0.000 1.203 194 Y CB -1.124 37.271 38.460 -0.108 0.000 0.980 194 Y HN 0.268 nan 8.280 nan 0.000 0.530 195 D N -0.709 119.748 120.400 0.094 0.000 2.348 195 D HA -0.055 4.585 4.640 -0.000 0.000 0.211 195 D C 0.205 176.550 176.300 0.076 0.000 0.998 195 D CA 0.404 54.458 54.000 0.090 0.000 0.873 195 D CB -0.184 40.646 40.800 0.049 0.000 0.925 195 D HN 0.250 nan 8.370 nan 0.000 0.524 196 D N 1.515 121.953 120.400 0.063 0.000 2.371 196 D HA 0.002 4.642 4.640 -0.000 0.000 0.256 196 D C -1.379 175.000 176.300 0.131 0.000 1.193 196 D CA -1.596 52.444 54.000 0.068 0.000 0.881 196 D CB 1.903 42.722 40.800 0.031 0.000 1.143 196 D HN -0.029 nan 8.370 nan 0.000 0.473 197 P HA -0.117 nan 4.420 nan 0.000 0.222 197 P C 0.812 178.181 177.300 0.116 0.000 1.147 197 P CA 0.866 64.029 63.100 0.104 0.000 0.790 197 P CB 0.368 32.108 31.700 0.067 0.000 0.780 198 K N -1.454 119.010 120.400 0.106 0.000 2.439 198 K HA -0.107 4.213 4.320 -0.000 0.000 0.197 198 K C 2.077 178.777 176.600 0.166 0.000 1.041 198 K CA 0.424 56.772 56.287 0.102 0.000 0.970 198 K CB -0.432 32.097 32.500 0.049 0.000 0.773 198 K HN 0.188 nan 8.250 nan 0.000 0.479 199 Y N 1.212 121.553 120.300 0.068 0.000 2.200 199 Y HA -0.131 4.419 4.550 -0.000 0.000 0.290 199 Y C 0.467 176.522 175.900 0.257 0.000 1.137 199 Y CA 0.962 59.150 58.100 0.147 0.000 1.163 199 Y CB 0.176 38.725 38.460 0.148 0.000 0.988 199 Y HN -0.068 nan 8.280 nan 0.000 0.518 200 L N 2.211 123.467 121.223 0.054 0.000 3.660 200 L HA -0.372 3.968 4.340 -0.000 0.000 0.440 200 L C -0.228 176.496 176.870 -0.243 0.000 1.262 200 L CA 0.857 55.671 54.840 -0.044 0.000 0.837 200 L CB -1.750 40.319 42.059 0.017 0.000 1.689 200 L HN 0.490 nan 8.230 nan 0.000 0.890 201 D N -0.294 119.853 120.400 -0.421 0.000 2.983 201 D HA -0.224 4.416 4.640 -0.000 0.000 0.225 201 D C 1.336 177.256 176.300 -0.633 0.000 1.174 201 D CA 2.003 55.732 54.000 -0.452 0.000 0.831 201 D CB -0.874 39.836 40.800 -0.150 0.000 1.104 201 D HN 1.018 nan 8.370 nan 0.000 0.421 202 G N -0.253 107.877 108.800 -1.116 0.000 2.176 202 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.253 202 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.253 202 G C 0.573 175.262 174.900 -0.351 0.000 0.979 202 G CA 0.453 45.286 45.100 -0.444 0.000 0.641 202 G HN 0.408 nan 8.290 nan 0.000 0.530 203 E N 0.134 120.164 120.200 -0.283 0.000 2.437 203 E HA 0.170 4.520 4.350 -0.000 0.000 0.189 203 E C 0.932 177.417 176.600 -0.191 0.000 1.054 203 E CA -0.161 56.104 56.400 -0.224 0.000 0.874 203 E CB -0.313 29.310 29.700 -0.127 0.000 1.011 203 E HN 0.823 nan 8.360 nan 0.000 0.474 204 Y N 0.558 120.819 120.300 -0.065 0.000 2.550 204 Y HA 0.175 4.725 4.550 -0.000 0.000 0.343 204 Y C 0.427 176.333 175.900 0.011 0.000 1.245 204 Y CA -1.428 56.667 58.100 -0.009 0.000 1.462 204 Y CB 0.150 38.630 38.460 0.034 0.000 1.340 204 Y HN -0.246 nan 8.280 nan 0.000 0.604 205 D N 1.413 121.910 120.400 0.162 0.000 2.382 205 D HA 0.004 4.644 4.640 -0.000 0.000 0.245 205 D C 0.745 177.192 176.300 0.246 0.000 1.120 205 D CA -0.126 53.939 54.000 0.109 0.000 0.890 205 D CB 1.471 42.319 40.800 0.081 0.000 1.201 205 D HN 0.613 nan 8.370 nan 0.000 0.433 206 V N 2.977 122.982 119.914 0.152 0.000 2.867 206 V HA -0.130 3.990 4.120 -0.000 0.000 0.260 206 V C 0.639 176.845 176.094 0.185 0.000 1.099 206 V CA 1.780 64.218 62.300 0.231 0.000 1.122 206 V CB -0.288 31.618 31.823 0.140 0.000 0.708 206 V HN 0.601 nan 8.190 nan 0.000 0.490 207 D N -0.588 119.879 120.400 0.111 0.000 2.369 207 D HA 0.127 4.767 4.640 -0.000 0.000 0.211 207 D C 0.212 176.551 176.300 0.065 0.000 1.077 207 D CA 0.276 54.309 54.000 0.056 0.000 0.842 207 D CB 0.451 41.259 40.800 0.013 0.000 0.947 207 D HN 0.447 nan 8.370 nan 0.000 0.509 208 D N 1.149 121.616 120.400 0.112 0.000 2.749 208 D HA 0.051 4.690 4.640 -0.000 0.000 0.338 208 D C 0.001 176.347 176.300 0.078 0.000 1.236 208 D CA -0.325 53.727 54.000 0.086 0.000 0.845 208 D CB 0.258 41.110 40.800 0.086 0.000 1.080 208 D HN -0.193 nan 8.370 nan 0.000 0.497 209 Q N 0.842 120.644 119.800 0.004 0.000 2.474 209 Q HA 0.155 4.495 4.340 -0.000 0.000 0.256 209 Q C -1.955 173.916 176.000 -0.215 0.000 1.048 209 Q CA -1.121 54.550 55.803 -0.219 0.000 0.922 209 Q CB 0.211 28.864 28.738 -0.141 0.000 1.288 209 Q HN 0.309 nan 8.270 nan 0.000 0.484 210 P HA 0.023 nan 4.420 nan 0.000 0.249 210 P C 0.614 177.850 177.300 -0.107 0.000 1.737 210 P CA 0.203 63.222 63.100 -0.134 0.000 1.128 210 P CB -0.053 31.601 31.700 -0.076 0.000 1.942 211 V N 2.974 122.842 119.914 -0.077 0.000 2.407 211 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 211 V C 2.582 178.647 176.094 -0.048 0.000 1.055 211 V CA 1.680 63.943 62.300 -0.061 0.000 1.049 211 V CB -0.628 31.170 31.823 -0.042 0.000 0.662 211 V HN 0.324 nan 8.190 nan 0.000 0.455 212 R N 0.446 120.923 120.500 -0.038 0.000 2.075 212 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 212 R C 2.412 178.683 176.300 -0.048 0.000 1.126 212 R CA 1.452 57.531 56.100 -0.035 0.000 0.963 212 R CB -1.521 28.765 30.300 -0.022 0.000 0.858 212 R HN 0.546 nan 8.270 nan 0.000 0.435 213 G N 0.945 109.710 108.800 -0.058 0.000 2.446 213 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 213 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 213 G C 1.644 176.488 174.900 -0.094 0.000 1.168 213 G CA 0.485 45.535 45.100 -0.084 0.000 0.771 213 G HN 0.220 nan 8.290 nan 0.000 0.551 214 L N -0.049 121.126 121.223 -0.081 0.000 2.046 214 L HA -0.059 4.280 4.340 -0.000 0.000 0.208 214 L C 2.957 179.839 176.870 0.020 0.000 1.077 214 L CA 1.274 56.086 54.840 -0.047 0.000 0.747 214 L CB -0.399 41.620 42.059 -0.066 0.000 0.896 214 L HN 0.316 nan 8.230 nan 0.000 0.432 215 E N -0.585 119.612 120.200 -0.006 0.000 2.049 215 E HA -0.227 4.123 4.350 -0.000 0.000 0.198 215 E C 2.035 178.592 176.600 -0.073 0.000 1.007 215 E CA 2.055 58.443 56.400 -0.019 0.000 0.809 215 E CB -0.128 29.552 29.700 -0.034 0.000 0.749 215 E HN 0.470 nan 8.360 nan 0.000 0.450 216 T N 0.737 115.243 114.554 -0.081 0.000 2.777 216 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 216 T C 1.983 176.604 174.700 -0.132 0.000 1.040 216 T CA 1.027 63.069 62.100 -0.096 0.000 1.141 216 T CB -0.241 68.581 68.868 -0.076 0.000 0.868 216 T HN 0.251 nan 8.240 nan 0.000 0.444 217 A N 2.202 124.932 122.820 -0.151 0.000 1.883 217 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 217 A C 2.284 179.689 177.584 -0.299 0.000 1.186 217 A CA 2.205 54.125 52.037 -0.194 0.000 0.624 217 A CB -0.611 18.248 19.000 -0.234 0.000 0.822 217 A HN 0.473 nan 8.150 nan 0.000 0.444 218 R N -0.033 120.242 120.500 -0.375 0.000 2.092 218 R HA -0.072 4.268 4.340 -0.000 0.000 0.231 218 R C 1.976 178.064 176.300 -0.353 0.000 1.119 218 R CA 1.904 57.704 56.100 -0.500 0.000 0.970 218 R CB -0.346 29.600 30.300 -0.589 0.000 0.864 218 R HN 0.503 nan 8.270 nan 0.000 0.440 219 K N 0.264 120.513 120.400 -0.251 0.000 2.032 219 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 219 K C 2.053 178.509 176.600 -0.240 0.000 1.048 219 K CA 2.046 58.205 56.287 -0.214 0.000 0.927 219 K CB -0.246 32.164 32.500 -0.149 0.000 0.712 219 K HN 0.228 nan 8.250 nan 0.000 0.441 220 I N 0.886 121.311 120.570 -0.242 0.000 2.179 220 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 220 I C 2.541 178.363 176.117 -0.493 0.000 1.088 220 I CA 1.272 62.405 61.300 -0.279 0.000 1.357 220 I CB -0.426 37.474 38.000 -0.166 0.000 1.051 220 I HN 0.161 nan 8.210 nan 0.000 0.409 221 A N 0.965 123.453 122.820 -0.552 0.000 1.902 221 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 221 A C 2.064 178.979 177.584 -1.116 0.000 1.181 221 A CA 2.402 53.904 52.037 -0.893 0.000 0.623 221 A CB -1.013 17.577 19.000 -0.684 0.000 0.818 221 A HN 0.528 nan 8.150 nan 0.000 0.443 222 N N 0.070 118.387 118.700 -0.638 0.000 2.094 222 N HA -0.144 4.596 4.740 -0.000 0.000 0.191 222 N C 1.518 176.871 175.510 -0.261 0.000 1.023 222 N CA 1.981 54.821 53.050 -0.349 0.000 0.857 222 N CB -0.405 37.968 38.487 -0.191 0.000 1.013 222 N HN 0.487 nan 8.380 nan 0.000 0.426 223 L N -0.326 120.721 121.223 -0.294 0.000 2.109 223 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 223 L C 2.399 179.090 176.870 -0.299 0.000 1.086 223 L CA 1.552 56.266 54.840 -0.210 0.000 0.760 223 L CB -1.040 40.906 42.059 -0.189 0.000 0.910 223 L HN 0.447 nan 8.230 nan 0.000 0.437 224 T N -3.330 110.875 114.554 -0.583 0.000 2.929 224 T HA -0.214 4.136 4.350 -0.000 0.000 0.271 224 T C 1.554 176.129 174.700 -0.209 0.000 1.085 224 T CA 1.027 62.743 62.100 -0.641 0.000 1.125 224 T CB -0.428 67.763 68.868 -1.128 0.000 0.874 224 T HN 0.206 nan 8.240 nan 0.000 0.494 225 Y N 1.509 121.738 120.300 -0.119 0.000 2.544 225 Y HA 0.426 4.976 4.550 -0.000 0.000 0.286 225 Y C 1.548 177.497 175.900 0.081 0.000 1.141 225 Y CA -0.841 57.294 58.100 0.059 0.000 1.299 225 Y CB -0.152 38.343 38.460 0.057 0.000 1.030 225 Y HN 0.267 nan 8.280 nan 0.000 0.543 226 K N 0.075 120.571 120.400 0.159 0.000 2.502 226 K HA 0.606 4.926 4.320 -0.000 0.000 0.256 226 K C 0.201 176.866 176.600 0.110 0.000 1.053 226 K CA -0.441 55.927 56.287 0.135 0.000 1.002 226 K CB 1.357 33.924 32.500 0.112 0.000 1.384 226 K HN 0.018 nan 8.250 nan 0.000 0.537 227 S N -1.042 114.715 115.700 0.095 0.000 2.667 227 S HA 0.280 4.750 4.470 -0.000 0.000 0.292 227 S C 0.784 175.424 174.600 0.065 0.000 1.126 227 S CA -0.813 57.436 58.200 0.081 0.000 0.881 227 S CB 2.366 65.616 63.200 0.083 0.000 1.132 227 S HN 0.672 nan 8.310 nan 0.000 0.492 228 K N 0.966 121.401 120.400 0.057 0.000 2.001 228 K HA -0.044 4.276 4.320 -0.000 0.000 0.214 228 K C -1.064 175.564 176.600 0.048 0.000 1.050 228 K CA 2.167 58.484 56.287 0.051 0.000 0.934 228 K CB -1.450 31.077 32.500 0.044 0.000 0.718 228 K HN 0.465 nan 8.250 nan 0.000 0.443 229 P HA -0.180 nan 4.420 nan 0.000 0.216 229 P C 0.889 178.209 177.300 0.034 0.000 1.153 229 P CA 2.049 65.165 63.100 0.028 0.000 0.858 229 P CB -0.110 31.601 31.700 0.018 0.000 0.789 230 A N -1.130 121.717 122.820 0.045 0.000 1.902 230 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 230 A C 2.122 179.736 177.584 0.050 0.000 1.181 230 A CA 1.815 53.880 52.037 0.047 0.000 0.623 230 A CB -1.312 17.728 19.000 0.066 0.000 0.818 230 A HN 0.041 nan 8.150 nan 0.000 0.443 231 M N -0.119 119.526 119.600 0.075 0.000 2.254 231 M HA -0.060 4.420 4.480 -0.000 0.000 0.265 231 M C 1.143 177.521 176.300 0.131 0.000 1.066 231 M CA 1.125 56.495 55.300 0.116 0.000 1.123 231 M CB -1.354 31.318 32.600 0.120 0.000 1.388 231 M HN 0.315 nan 8.290 nan 0.000 0.425 232 D N 0.309 120.764 120.400 0.092 0.000 2.178 232 D HA -0.114 4.526 4.640 -0.000 0.000 0.202 232 D C 1.933 178.292 176.300 0.098 0.000 0.974 232 D CA 0.933 54.991 54.000 0.098 0.000 0.841 232 D CB -0.075 40.761 40.800 0.060 0.000 0.953 232 D HN 0.465 nan 8.370 nan 0.000 0.478 233 E N 0.177 120.405 120.200 0.047 0.000 2.107 233 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 233 E C 2.103 178.700 176.600 -0.005 0.000 0.982 233 E CA 0.508 56.926 56.400 0.030 0.000 0.809 233 E CB 0.131 29.825 29.700 -0.009 0.000 0.756 233 E HN 0.173 nan 8.360 nan 0.000 0.459 234 R N -0.593 119.828 120.500 -0.131 0.000 2.119 234 R HA 0.040 4.380 4.340 -0.000 0.000 0.222 234 R C -0.056 175.684 176.300 -0.932 0.000 1.088 234 R CA 0.686 56.477 56.100 -0.515 0.000 0.984 234 R CB 0.283 30.239 30.300 -0.573 0.000 0.884 234 R HN -0.018 nan 8.270 nan 0.000 0.447 235 F N 0.159 120.060 119.950 -0.083 0.000 2.585 235 F HA 0.287 4.814 4.527 -0.000 0.000 0.319 235 F C -0.481 175.301 175.800 -0.031 0.000 1.165 235 F CA -1.206 56.711 58.000 -0.138 0.000 0.949 235 F CB 1.702 40.615 39.000 -0.144 0.000 1.218 235 F HN 0.058 nan 8.300 nan 0.000 0.453 236 H N 0.288 119.413 119.070 0.092 0.000 3.046 236 H HA 0.689 5.245 4.556 -0.000 0.000 0.361 236 H C -0.965 174.388 175.328 0.042 0.000 1.235 236 H CA -1.320 54.758 56.048 0.050 0.000 1.146 236 H CB 1.042 30.810 29.762 0.010 0.000 1.859 236 H HN 0.489 nan 8.280 nan 0.000 0.548 270 P HA 0.204 nan 4.420 nan 0.000 0.276 270 P C 0.516 177.873 177.300 0.096 0.000 1.244 270 P CA -0.048 63.032 63.100 -0.032 0.000 0.801 270 P CB 0.750 32.440 31.700 -0.017 0.000 1.006 271 I N 0.547 121.150 120.570 0.055 0.000 2.916 271 I HA -0.194 3.976 4.170 -0.000 0.000 0.267 271 I C 1.468 177.581 176.117 -0.007 0.000 1.263 271 I CA 1.336 62.661 61.300 0.041 0.000 1.471 271 I CB -0.220 37.797 38.000 0.028 0.000 1.089 271 I HN 0.342 nan 8.210 nan 0.000 0.468 272 E N 0.494 120.701 120.200 0.011 0.000 2.285 272 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 272 E C 2.083 178.686 176.600 0.005 0.000 0.997 272 E CA 0.824 57.225 56.400 0.001 0.000 0.845 272 E CB -0.150 29.555 29.700 0.009 0.000 0.782 272 E HN 0.410 nan 8.360 nan 0.000 0.491 273 A N 0.284 123.132 122.820 0.046 0.000 2.206 273 A HA -0.006 4.314 4.320 -0.000 0.000 0.211 273 A C 2.102 179.677 177.584 -0.015 0.000 1.158 273 A CA 0.354 52.448 52.037 0.095 0.000 0.761 273 A CB -0.221 18.915 19.000 0.226 0.000 0.801 273 A HN 0.129 nan 8.150 nan 0.000 0.473 274 V N -0.491 119.267 119.914 -0.261 0.000 2.307 274 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 274 V C 2.815 178.809 176.094 -0.168 0.000 1.045 274 V CA 2.267 64.242 62.300 -0.542 0.000 1.024 274 V CB -0.686 30.829 31.823 -0.512 0.000 0.651 274 V HN 0.694 nan 8.190 nan 0.000 0.449 275 S N -0.406 115.241 115.700 -0.088 0.000 2.369 275 S HA -0.304 4.166 4.470 -0.000 0.000 0.225 275 S C 2.362 176.972 174.600 0.016 0.000 1.043 275 S CA 2.544 60.727 58.200 -0.029 0.000 1.074 275 S CB -0.552 62.637 63.200 -0.019 0.000 0.962 275 S HN 0.606 nan 8.310 nan 0.000 0.433 276 S N -0.737 114.991 115.700 0.046 0.000 2.370 276 S HA -0.192 4.278 4.470 -0.000 0.000 0.226 276 S C 1.722 176.412 174.600 0.151 0.000 1.033 276 S CA 1.713 59.965 58.200 0.087 0.000 1.011 276 S CB -0.893 62.358 63.200 0.085 0.000 0.852 276 S HN 0.767 nan 8.310 nan 0.000 0.457 277 Y N 1.619 121.944 120.300 0.042 0.000 2.165 277 Y HA -0.110 4.439 4.550 -0.000 0.000 0.286 277 Y C 1.894 177.847 175.900 0.089 0.000 1.155 277 Y CA 1.943 60.108 58.100 0.108 0.000 1.164 277 Y CB -0.322 38.205 38.460 0.113 0.000 0.978 277 Y HN 0.269 nan 8.280 nan 0.000 0.513 278 L N -0.256 120.938 121.223 -0.047 0.000 2.056 278 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 278 L C 2.673 179.472 176.870 -0.118 0.000 1.078 278 L CA 0.965 55.708 54.840 -0.160 0.000 0.749 278 L CB -0.541 41.478 42.059 -0.067 0.000 0.901 278 L HN 0.113 nan 8.230 nan 0.000 0.433 279 R N -0.493 119.987 120.500 -0.033 0.000 2.091 279 R HA -0.214 4.126 4.340 -0.000 0.000 0.238 279 R C 2.143 178.449 176.300 0.010 0.000 1.136 279 R CA 1.650 57.745 56.100 -0.008 0.000 0.959 279 R CB -0.998 29.317 30.300 0.026 0.000 0.856 279 R HN 0.399 nan 8.270 nan 0.000 0.437 280 Y N 2.084 122.340 120.300 -0.073 0.000 2.133 280 Y HA -0.228 4.322 4.550 -0.000 0.000 0.287 280 Y C 2.516 178.366 175.900 -0.082 0.000 1.134 280 Y CA 1.533 59.601 58.100 -0.055 0.000 1.133 280 Y CB -0.040 38.405 38.460 -0.024 0.000 0.987 280 Y HN -0.025 nan 8.280 nan 0.000 0.502 281 Q N 0.451 120.129 119.800 -0.202 0.000 2.077 281 Q HA -0.256 4.084 4.340 -0.000 0.000 0.206 281 Q C 2.521 178.387 176.000 -0.224 0.000 0.989 281 Q CA 1.779 57.411 55.803 -0.284 0.000 0.853 281 Q CB -0.944 27.575 28.738 -0.364 0.000 0.907 281 Q HN 0.661 nan 8.270 nan 0.000 0.418 282 A N 0.544 123.262 122.820 -0.170 0.000 1.873 282 A HA -0.212 4.108 4.320 -0.000 0.000 0.215 282 A C 2.126 179.683 177.584 -0.046 0.000 1.186 282 A CA 1.576 53.559 52.037 -0.090 0.000 0.616 282 A CB -0.521 18.426 19.000 -0.089 0.000 0.823 282 A HN 0.356 nan 8.150 nan 0.000 0.442 283 Q N -0.503 119.240 119.800 -0.096 0.000 2.084 283 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 283 Q C 2.161 178.096 176.000 -0.109 0.000 0.978 283 Q CA 1.928 57.679 55.803 -0.086 0.000 0.844 283 Q CB -0.166 28.526 28.738 -0.077 0.000 0.898 283 Q HN 0.714 nan 8.270 nan 0.000 0.426 284 K N -0.032 120.240 120.400 -0.213 0.000 2.032 284 K HA -0.207 4.113 4.320 -0.000 0.000 0.209 284 K C 1.863 178.450 176.600 -0.022 0.000 1.048 284 K CA 1.494 57.663 56.287 -0.198 0.000 0.927 284 K CB -0.246 32.017 32.500 -0.395 0.000 0.712 284 K HN 0.210 nan 8.250 nan 0.000 0.441 285 F N 0.943 120.817 119.950 -0.126 0.000 2.113 285 F HA -0.092 4.435 4.527 -0.000 0.000 0.297 285 F C 1.974 177.772 175.800 -0.005 0.000 1.103 285 F CA 1.460 59.425 58.000 -0.059 0.000 1.248 285 F CB -0.307 38.620 39.000 -0.121 0.000 0.999 285 F HN 0.094 nan 8.300 nan 0.000 0.475 286 A N 0.322 123.082 122.820 -0.100 0.000 2.070 286 A HA -0.052 4.268 4.320 -0.000 0.000 0.220 286 A C 2.222 179.729 177.584 -0.128 0.000 1.159 286 A CA 1.485 53.413 52.037 -0.181 0.000 0.656 286 A CB -1.372 17.592 19.000 -0.061 0.000 0.800 286 A HN 0.520 nan 8.150 nan 0.000 0.453 287 A N -0.341 122.436 122.820 -0.071 0.000 2.123 287 A HA 0.151 4.471 4.320 -0.000 0.000 0.214 287 A C 1.993 179.610 177.584 0.056 0.000 1.152 287 A CA 1.583 53.613 52.037 -0.012 0.000 0.728 287 A CB -0.332 18.660 19.000 -0.015 0.000 0.814 287 A HN 1.019 nan 8.150 nan 0.000 0.464 288 S N -2.657 113.076 115.700 0.056 0.000 2.730 288 S HA 0.555 5.025 4.470 -0.000 0.000 0.244 288 S C -0.288 174.508 174.600 0.327 0.000 1.022 288 S CA -0.566 57.767 58.200 0.222 0.000 1.014 288 S CB -0.319 62.997 63.200 0.193 0.000 0.963 288 S HN 0.247 nan 8.310 nan 0.000 0.540 289 F N 1.113 120.957 119.950 -0.176 0.000 2.626 289 F HA 0.582 5.109 4.527 -0.000 0.000 0.311 289 F C -1.359 174.083 175.800 -0.598 0.000 1.088 289 F CA -0.813 56.860 58.000 -0.545 0.000 0.949 289 F CB 1.786 40.309 39.000 -0.794 0.000 1.322 289 F HN 0.092 nan 8.300 nan 0.000 0.461 290 D N 1.877 121.594 120.400 -1.139 0.000 2.168 290 D HA 0.545 5.185 4.640 -0.000 0.000 0.246 290 D C 0.424 176.670 176.300 -0.090 0.000 1.050 290 D CA 0.112 53.755 54.000 -0.594 0.000 0.857 290 D CB 2.081 42.394 40.800 -0.812 0.000 1.169 290 D HN 0.643 nan 8.370 nan 0.000 0.453 291 A N 3.926 126.796 122.820 0.084 0.000 1.858 291 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 291 A C 1.895 179.694 177.584 0.360 0.000 1.190 291 A CA 1.172 53.329 52.037 0.201 0.000 0.617 291 A CB -0.600 18.411 19.000 0.018 0.000 0.827 291 A HN 0.709 nan 8.150 nan 0.000 0.443 292 N N 0.131 119.096 118.700 0.442 0.000 2.094 292 N HA -0.174 4.566 4.740 -0.000 0.000 0.191 292 N C 1.772 177.410 175.510 0.213 0.000 1.023 292 N CA 1.810 55.071 53.050 0.352 0.000 0.857 292 N CB -0.932 37.710 38.487 0.258 0.000 1.013 292 N HN 0.563 nan 8.380 nan 0.000 0.426 293 C N -0.047 119.297 119.300 0.073 0.000 2.425 293 C HA -0.095 4.365 4.460 -0.000 0.000 0.277 293 C C 2.486 177.636 174.990 0.265 0.000 1.280 293 C CA -0.145 58.876 59.018 0.005 0.000 1.744 293 C CB -1.412 26.110 27.740 -0.364 0.000 1.989 293 C HN 0.436 nan 8.230 nan 0.000 0.491 294 Y N 1.509 122.020 120.300 0.352 0.000 2.128 294 Y HA -0.198 4.352 4.550 -0.000 0.000 0.284 294 Y C 2.270 178.321 175.900 0.251 0.000 1.154 294 Y CA 1.739 60.096 58.100 0.429 0.000 1.149 294 Y CB -0.286 38.428 38.460 0.423 0.000 0.976 294 Y HN 0.241 nan 8.280 nan 0.000 0.505 295 I N -0.120 120.629 120.570 0.298 0.000 2.099 295 I HA -0.411 3.759 4.170 -0.000 0.000 0.239 295 I C 2.702 178.901 176.117 0.136 0.000 1.066 295 I CA 1.450 62.878 61.300 0.213 0.000 1.324 295 I CB -0.884 37.307 38.000 0.318 0.000 1.037 295 I HN 0.319 nan 8.210 nan 0.000 0.401 296 A N 0.763 123.675 122.820 0.154 0.000 1.892 296 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 296 A C 2.389 179.997 177.584 0.040 0.000 1.188 296 A CA 2.159 54.272 52.037 0.125 0.000 0.631 296 A CB -0.670 18.424 19.000 0.157 0.000 0.822 296 A HN 0.395 nan 8.150 nan 0.000 0.447 297 M N -0.237 119.365 119.600 0.002 0.000 2.132 297 M HA -0.117 4.363 4.480 -0.000 0.000 0.263 297 M C 2.387 178.498 176.300 -0.314 0.000 1.065 297 M CA 2.023 57.253 55.300 -0.117 0.000 1.122 297 M CB -1.259 31.321 32.600 -0.033 0.000 1.365 297 M HN 0.716 nan 8.290 nan 0.000 0.411 298 T N -0.395 113.992 114.554 -0.277 0.000 2.867 298 T HA -0.030 4.320 4.350 -0.000 0.000 0.268 298 T C 1.845 176.489 174.700 -0.093 0.000 1.057 298 T CA 0.799 62.751 62.100 -0.247 0.000 1.136 298 T CB -0.758 68.037 68.868 -0.122 0.000 0.874 298 T HN 0.320 nan 8.240 nan 0.000 0.466 299 L N 0.479 121.677 121.223 -0.041 0.000 2.187 299 L HA -0.086 4.254 4.340 -0.000 0.000 0.213 299 L C 2.906 179.752 176.870 -0.041 0.000 1.100 299 L CA 1.356 56.205 54.840 0.014 0.000 0.765 299 L CB -0.526 41.563 42.059 0.051 0.000 0.904 299 L HN 0.296 nan 8.230 nan 0.000 0.437 300 K N -0.479 119.825 120.400 -0.161 0.000 2.103 300 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 300 K C 1.998 178.496 176.600 -0.171 0.000 1.048 300 K CA 1.364 57.522 56.287 -0.215 0.000 0.930 300 K CB -0.232 32.051 32.500 -0.362 0.000 0.716 300 K HN 0.089 nan 8.250 nan 0.000 0.444 301 F N 2.093 121.959 119.950 -0.140 0.000 2.154 301 F HA -0.239 4.287 4.527 -0.000 0.000 0.301 301 F C 1.910 177.705 175.800 -0.007 0.000 1.087 301 F CA 1.377 59.312 58.000 -0.107 0.000 1.274 301 F CB -0.488 38.388 39.000 -0.207 0.000 1.009 301 F HN 0.073 nan 8.300 nan 0.000 0.485 302 D N -0.971 119.532 120.400 0.171 0.000 2.269 302 D HA -0.080 4.560 4.640 -0.000 0.000 0.208 302 D C 2.078 178.422 176.300 0.074 0.000 0.963 302 D CA 1.741 55.812 54.000 0.120 0.000 0.864 302 D CB -0.520 40.337 40.800 0.095 0.000 0.936 302 D HN 0.370 nan 8.370 nan 0.000 0.505 303 T N -2.637 111.946 114.554 0.050 0.000 3.092 303 T HA 0.016 4.366 4.350 -0.000 0.000 0.258 303 T C 0.564 175.270 174.700 0.010 0.000 1.031 303 T CA -0.509 61.596 62.100 0.007 0.000 0.925 303 T CB -0.251 68.602 68.868 -0.024 0.000 1.036 303 T HN -0.006 nan 8.240 nan 0.000 0.544 304 H N 2.203 121.246 119.070 -0.046 0.000 2.848 304 H HA 0.488 5.043 4.556 -0.000 0.000 0.317 304 H C -0.863 174.436 175.328 -0.048 0.000 1.046 304 H CA 0.176 56.184 56.048 -0.066 0.000 1.470 304 H CB 0.367 30.114 29.762 -0.026 0.000 1.483 304 H HN 0.234 nan 8.280 nan 0.000 0.548 305 D N 4.715 124.788 120.400 -0.546 0.000 2.301 305 D HA -0.037 4.603 4.640 -0.000 0.000 0.203 305 D C 0.766 176.823 176.300 -0.405 0.000 1.300 305 D CA -0.354 53.366 54.000 -0.467 0.000 0.899 305 D CB -0.092 40.568 40.800 -0.234 0.000 1.597 305 D HN 0.653 nan 8.370 nan 0.000 0.538 306 I N 1.070 121.398 120.570 -0.403 0.000 3.176 306 I HA -0.002 4.168 4.170 -0.000 0.000 0.275 306 I C 1.277 177.168 176.117 -0.375 0.000 1.298 306 I CA 1.072 62.158 61.300 -0.355 0.000 1.445 306 I CB -0.114 37.811 38.000 -0.125 0.000 1.075 306 I HN 0.199 nan 8.210 nan 0.000 0.482 307 S N 1.979 117.534 115.700 -0.242 0.000 2.486 307 S HA 0.059 4.529 4.470 -0.000 0.000 0.220 307 S C 1.210 175.704 174.600 -0.177 0.000 1.011 307 S CA -0.607 57.488 58.200 -0.176 0.000 0.921 307 S CB -0.353 62.788 63.200 -0.099 0.000 0.785 307 S HN 0.654 nan 8.310 nan 0.000 0.517 308 R N 1.196 121.582 120.500 -0.190 0.000 2.484 308 R HA 0.450 4.789 4.340 -0.000 0.000 0.293 308 R C 1.152 177.356 176.300 -0.160 0.000 1.023 308 R CA 0.506 56.514 56.100 -0.152 0.000 1.037 308 R CB -0.646 29.572 30.300 -0.136 0.000 0.951 308 R HN 0.384 nan 8.270 nan 0.000 0.418 309 G N 2.546 111.275 108.800 -0.118 0.000 2.168 309 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.263 309 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.263 309 G C 0.797 175.633 174.900 -0.107 0.000 0.977 309 G CA 0.543 45.580 45.100 -0.106 0.000 0.659 309 G HN 0.714 nan 8.290 nan 0.000 0.533 310 R N -0.785 119.644 120.500 -0.118 0.000 2.444 310 R HA 0.617 4.957 4.340 -0.000 0.000 0.201 310 R C 0.797 177.069 176.300 -0.046 0.000 0.861 310 R CA 0.926 56.967 56.100 -0.099 0.000 1.034 310 R CB 0.784 30.970 30.300 -0.189 0.000 1.347 310 R HN 0.960 nan 8.270 nan 0.000 0.659 311 A N -0.724 122.065 122.820 -0.051 0.000 2.599 311 A HA 0.566 4.886 4.320 -0.000 0.000 0.290 311 A C 0.216 177.783 177.584 -0.029 0.000 1.101 311 A CA -0.142 51.882 52.037 -0.022 0.000 0.674 311 A CB 1.023 20.024 19.000 0.002 0.000 1.277 311 A HN 0.127 nan 8.150 nan 0.000 0.419 312 G N -0.364 108.426 108.800 -0.017 0.000 2.683 312 G HA2 0.402 4.362 3.960 -0.000 0.000 0.213 312 G HA3 0.402 4.362 3.960 -0.000 0.000 0.213 312 G C 0.584 175.472 174.900 -0.019 0.000 1.142 312 G CA 1.302 46.391 45.100 -0.018 0.000 0.793 312 G HN 1.798 nan 8.290 nan 0.000 0.534 313 S N -1.400 114.291 115.700 -0.015 0.000 2.638 313 S HA 0.521 4.991 4.470 -0.000 0.000 0.274 313 S C 0.725 175.318 174.600 -0.012 0.000 1.157 313 S CA -0.778 57.413 58.200 -0.014 0.000 0.826 313 S CB 1.146 64.343 63.200 -0.006 0.000 1.139 313 S HN -0.208 nan 8.310 nan 0.000 0.474 314 I N 1.163 121.725 120.570 -0.014 0.000 2.179 314 I HA 0.011 4.181 4.170 -0.000 0.000 0.242 314 I C -0.829 175.298 176.117 0.015 0.000 1.088 314 I CA 0.745 62.041 61.300 -0.007 0.000 1.357 314 I CB -2.708 35.283 38.000 -0.015 0.000 1.051 314 I HN 0.521 nan 8.210 nan 0.000 0.409 315 P HA -0.152 nan 4.420 nan 0.000 0.218 315 P C 1.483 178.800 177.300 0.028 0.000 1.148 315 P CA 1.419 64.529 63.100 0.017 0.000 0.822 315 P CB -0.019 31.686 31.700 0.009 0.000 0.784 316 E N -0.575 119.641 120.200 0.027 0.000 2.107 316 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 316 E C 2.108 178.749 176.600 0.067 0.000 0.982 316 E CA 0.978 57.399 56.400 0.036 0.000 0.809 316 E CB -0.489 29.225 29.700 0.024 0.000 0.756 316 E HN 0.145 nan 8.360 nan 0.000 0.459 317 A N 1.272 124.139 122.820 0.078 0.000 1.877 317 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 317 A C 2.188 179.917 177.584 0.242 0.000 1.186 317 A CA 1.010 53.146 52.037 0.165 0.000 0.620 317 A CB -0.673 18.382 19.000 0.093 0.000 0.822 317 A HN 0.129 nan 8.150 nan 0.000 0.443 318 L N -0.619 120.692 121.223 0.145 0.000 2.079 318 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 318 L C 3.027 179.924 176.870 0.045 0.000 1.081 318 L CA 1.074 55.972 54.840 0.096 0.000 0.752 318 L CB -0.504 41.589 42.059 0.056 0.000 0.896 318 L HN 0.442 nan 8.230 nan 0.000 0.433 319 A N -0.344 122.504 122.820 0.048 0.000 2.019 319 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 319 A C 2.178 179.774 177.584 0.020 0.000 1.164 319 A CA 1.533 53.587 52.037 0.028 0.000 0.644 319 A CB -0.514 18.505 19.000 0.031 0.000 0.805 319 A HN 0.434 nan 8.150 nan 0.000 0.449 320 M N -0.570 119.056 119.600 0.042 0.000 2.659 320 M HA 0.173 4.653 4.480 -0.000 0.000 0.243 320 M C -0.282 175.942 176.300 -0.127 0.000 1.111 320 M CA 0.575 55.888 55.300 0.021 0.000 1.070 320 M CB -0.135 32.560 32.600 0.159 0.000 1.525 320 M HN 0.199 nan 8.290 nan 0.000 0.517 321 I N 0.450 120.916 120.570 -0.174 0.000 2.291 321 I HA 0.042 4.212 4.170 -0.000 0.000 0.292 321 I C 0.922 176.974 176.117 -0.107 0.000 1.064 321 I CA -0.049 61.101 61.300 -0.252 0.000 1.269 321 I CB 1.001 38.848 38.000 -0.254 0.000 1.418 321 I HN 0.011 nan 8.210 nan 0.000 0.485 322 T N 3.667 118.171 114.554 -0.083 0.000 3.037 322 T HA 0.045 4.395 4.350 -0.000 0.000 0.251 322 T C 0.779 175.480 174.700 0.003 0.000 1.079 322 T CA 0.116 62.202 62.100 -0.024 0.000 1.067 322 T CB -0.021 68.842 68.868 -0.009 0.000 0.948 322 T HN 0.488 nan 8.240 nan 0.000 0.496 323 Q N 2.190 121.992 119.800 0.004 0.000 2.395 323 Q HA 0.189 4.529 4.340 -0.000 0.000 0.271 323 Q C -2.499 173.545 176.000 0.073 0.000 1.026 323 Q CA -1.074 54.753 55.803 0.040 0.000 0.900 323 Q CB -0.095 28.673 28.738 0.050 0.000 1.266 323 Q HN 0.128 nan 8.270 nan 0.000 0.430 324 P HA 0.068 nan 4.420 nan 0.000 0.265 324 P C -1.478 176.007 177.300 0.308 0.000 1.193 324 P CA 0.311 63.538 63.100 0.211 0.000 0.765 324 P CB 0.645 32.479 31.700 0.223 0.000 0.823 325 A N 3.457 126.388 122.820 0.185 0.000 2.393 325 A HA 0.626 4.946 4.320 -0.000 0.000 0.306 325 A C -1.460 175.935 177.584 -0.316 0.000 1.050 325 A CA -0.622 51.421 52.037 0.009 0.000 0.724 325 A CB 0.919 19.922 19.000 0.005 0.000 1.248 325 A HN 0.505 nan 8.150 nan 0.000 0.424 326 L N 3.474 124.297 121.223 -0.667 0.000 2.294 326 L HA 0.661 5.001 4.340 -0.000 0.000 0.283 326 L C -1.089 175.611 176.870 -0.284 0.000 1.015 326 L CA -0.250 54.167 54.840 -0.705 0.000 0.831 326 L CB 0.603 41.931 42.059 -1.217 0.000 1.217 326 L HN 0.561 nan 8.230 nan 0.000 0.420 327 I N 6.493 126.979 120.570 -0.139 0.000 2.315 327 I HA 0.374 4.544 4.170 -0.000 0.000 0.291 327 I C -0.311 175.814 176.117 0.013 0.000 1.006 327 I CA -0.092 61.208 61.300 0.000 0.000 1.265 327 I CB 0.907 38.941 38.000 0.056 0.000 1.387 327 I HN 0.469 nan 8.210 nan 0.000 0.475 328 I N 6.588 127.195 120.570 0.061 0.000 2.404 328 I HA 0.548 4.717 4.170 -0.000 0.000 0.293 328 I C -0.218 175.947 176.117 0.080 0.000 0.992 328 I CA -0.561 60.791 61.300 0.087 0.000 1.149 328 I CB 1.574 39.662 38.000 0.147 0.000 1.315 328 I HN 0.702 nan 8.210 nan 0.000 0.446 329 C N 3.289 122.567 119.300 -0.038 0.000 3.318 329 C HA 0.977 5.436 4.460 -0.000 0.000 0.322 329 C C -0.587 174.116 174.990 -0.480 0.000 1.398 329 C CA -0.656 58.212 59.018 -0.249 0.000 1.339 329 C CB 1.220 28.570 27.740 -0.650 0.000 1.668 329 C HN 0.923 nan 8.230 nan 0.000 0.462 330 A N 0.747 123.178 122.820 -0.647 0.000 2.365 330 A HA 0.760 5.080 4.320 -0.000 0.000 0.318 330 A C 0.698 178.193 177.584 -0.149 0.000 1.091 330 A CA -0.759 50.929 52.037 -0.581 0.000 0.763 330 A CB 0.942 19.354 19.000 -0.980 0.000 1.248 330 A HN 0.937 nan 8.150 nan 0.000 0.442 331 R N 0.921 121.340 120.500 -0.136 0.000 2.152 331 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 331 R C 1.508 177.794 176.300 -0.024 0.000 1.117 331 R CA 1.719 57.754 56.100 -0.108 0.000 0.981 331 R CB -0.040 30.079 30.300 -0.301 0.000 0.870 331 R HN 0.808 nan 8.270 nan 0.000 0.451 332 S N 0.013 115.696 115.700 -0.027 0.000 2.631 332 S HA -0.009 4.461 4.470 -0.000 0.000 0.217 332 S C 0.356 175.029 174.600 0.123 0.000 0.958 332 S CA -0.398 57.823 58.200 0.035 0.000 0.920 332 S CB 0.115 63.328 63.200 0.023 0.000 0.776 332 S HN 0.046 nan 8.310 nan 0.000 0.517 333 D N 2.107 122.614 120.400 0.177 0.000 2.401 333 D HA 0.241 4.881 4.640 -0.000 0.000 0.254 333 D C 1.107 177.560 176.300 0.256 0.000 1.192 333 D CA 0.280 54.472 54.000 0.320 0.000 0.885 333 D CB 1.088 42.163 40.800 0.458 0.000 1.147 333 D HN 0.295 nan 8.370 nan 0.000 0.478 334 G N 3.142 112.084 108.800 0.237 0.000 2.880 334 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.209 334 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.209 334 G C 1.466 176.544 174.900 0.297 0.000 1.157 334 G CA 0.053 45.282 45.100 0.216 0.000 0.779 334 G HN 0.518 nan 8.290 nan 0.000 0.539 335 L N -1.451 119.863 121.223 0.152 0.000 2.362 335 L HA 0.349 4.689 4.340 -0.000 0.000 0.204 335 L C -0.051 176.608 176.870 -0.352 0.000 1.060 335 L CA 0.191 54.969 54.840 -0.103 0.000 0.827 335 L CB 0.346 42.115 42.059 -0.484 0.000 1.027 335 L HN 0.072 nan 8.230 nan 0.000 0.474 336 Y N 0.317 120.768 120.300 0.251 0.000 2.328 336 Y HA 0.293 4.843 4.550 -0.000 0.000 0.333 336 Y C 0.529 176.644 175.900 0.357 0.000 0.958 336 Y CA -1.081 57.200 58.100 0.301 0.000 1.167 336 Y CB 1.457 40.154 38.460 0.395 0.000 1.151 336 Y HN -0.083 nan 8.280 nan 0.000 0.470 337 S N 2.371 118.283 115.700 0.352 0.000 2.601 337 S HA 0.175 4.645 4.470 -0.000 0.000 0.271 337 S C 0.767 175.616 174.600 0.414 0.000 1.305 337 S CA -0.672 57.705 58.200 0.295 0.000 1.022 337 S CB 0.709 63.997 63.200 0.146 0.000 0.940 337 S HN 0.692 nan 8.310 nan 0.000 0.525 338 F N 1.761 121.831 119.950 0.200 0.000 2.126 338 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 338 F C 1.667 177.567 175.800 0.167 0.000 1.096 338 F CA 2.077 60.177 58.000 0.167 0.000 1.255 338 F CB -0.603 38.434 39.000 0.062 0.000 0.997 338 F HN 0.630 nan 8.300 nan 0.000 0.479 339 D N 0.506 120.945 120.400 0.065 0.000 2.133 339 D HA -0.257 4.383 4.640 -0.000 0.000 0.195 339 D C 2.175 178.428 176.300 -0.077 0.000 0.997 339 D CA 1.861 55.830 54.000 -0.052 0.000 0.840 339 D CB -0.590 40.236 40.800 0.043 0.000 0.947 339 D HN 0.723 nan 8.370 nan 0.000 0.452 340 E N -0.170 120.025 120.200 -0.009 0.000 2.208 340 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 340 E C 1.541 178.049 176.600 -0.154 0.000 0.988 340 E CA 0.947 57.312 56.400 -0.059 0.000 0.828 340 E CB -0.335 29.349 29.700 -0.026 0.000 0.763 340 E HN 0.395 nan 8.360 nan 0.000 0.478 341 H N 0.454 119.491 119.070 -0.055 0.000 2.363 341 H HA -0.009 4.547 4.556 -0.000 0.000 0.301 341 H C 2.179 177.402 175.328 -0.176 0.000 1.074 341 H CA 1.475 57.473 56.048 -0.084 0.000 1.354 341 H CB 0.055 29.782 29.762 -0.057 0.000 1.397 341 H HN -0.012 nan 8.280 nan 0.000 0.516 342 V N 0.970 120.748 119.914 -0.226 0.000 2.287 342 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 342 V C 2.368 178.394 176.094 -0.113 0.000 1.053 342 V CA 2.284 64.438 62.300 -0.243 0.000 1.027 342 V CB -0.490 31.115 31.823 -0.363 0.000 0.646 342 V HN 0.553 nan 8.190 nan 0.000 0.447 343 E N -0.120 120.025 120.200 -0.092 0.000 2.070 343 E HA -0.290 4.060 4.350 -0.000 0.000 0.197 343 E C 2.248 178.827 176.600 -0.036 0.000 1.004 343 E CA 2.045 58.413 56.400 -0.052 0.000 0.805 343 E CB -0.243 29.432 29.700 -0.042 0.000 0.744 343 E HN 0.569 nan 8.360 nan 0.000 0.451 344 M N 0.244 119.820 119.600 -0.040 0.000 2.089 344 M HA -0.165 4.315 4.480 -0.000 0.000 0.257 344 M C 2.450 178.744 176.300 -0.009 0.000 1.071 344 M CA 1.928 57.219 55.300 -0.016 0.000 1.096 344 M CB -0.588 32.006 32.600 -0.010 0.000 1.330 344 M HN 0.336 nan 8.290 nan 0.000 0.403 345 G N -0.353 108.436 108.800 -0.019 0.000 2.448 345 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 345 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 345 G C 1.688 176.580 174.900 -0.013 0.000 1.127 345 G CA 0.491 45.581 45.100 -0.017 0.000 0.766 345 G HN 0.396 nan 8.290 nan 0.000 0.552 346 R N 0.076 120.566 120.500 -0.017 0.000 2.119 346 R HA 0.075 4.415 4.340 -0.000 0.000 0.222 346 R C 2.573 178.872 176.300 -0.001 0.000 1.088 346 R CA 1.211 57.306 56.100 -0.009 0.000 0.984 346 R CB -0.024 30.268 30.300 -0.013 0.000 0.884 346 R HN 0.315 nan 8.270 nan 0.000 0.447 347 S N 0.401 116.101 115.700 -0.000 0.000 2.475 347 S HA 0.197 4.667 4.470 -0.000 0.000 0.224 347 S C 0.851 175.456 174.600 0.009 0.000 1.042 347 S CA -0.050 58.154 58.200 0.007 0.000 0.935 347 S CB 0.368 63.575 63.200 0.011 0.000 0.801 347 S HN 0.098 nan 8.310 nan 0.000 0.509 348 I N 4.447 125.020 120.570 0.006 0.000 2.494 348 I HA 0.078 4.248 4.170 -0.000 0.000 0.289 348 I C -1.396 174.725 176.117 0.006 0.000 1.106 348 I CA -1.602 59.700 61.300 0.003 0.000 1.369 348 I CB 0.885 38.886 38.000 0.001 0.000 1.410 348 I HN 0.065 nan 8.210 nan 0.000 0.523 349 P HA -0.132 nan 4.420 nan 0.000 0.218 349 P C 0.035 177.347 177.300 0.020 0.000 1.149 349 P CA 1.347 64.454 63.100 0.013 0.000 0.817 349 P CB 0.164 31.872 31.700 0.012 0.000 0.785 350 N N 0.434 119.149 118.700 0.026 0.000 3.012 350 N HA 0.168 4.907 4.740 -0.000 0.000 0.270 350 N C -0.340 175.200 175.510 0.051 0.000 1.469 350 N CA 0.040 53.115 53.050 0.043 0.000 0.928 350 N CB 0.906 39.425 38.487 0.053 0.000 1.219 350 N HN 0.143 nan 8.380 nan 0.000 0.492 351 S N 0.252 115.969 115.700 0.029 0.000 2.568 351 S HA 0.672 5.142 4.470 -0.000 0.000 0.293 351 S C -0.394 174.201 174.600 -0.008 0.000 1.089 351 S CA -0.933 57.269 58.200 0.003 0.000 0.945 351 S CB 2.999 66.194 63.200 -0.008 0.000 1.077 351 S HN 0.445 nan 8.310 nan 0.000 0.485 352 R N 0.864 121.332 120.500 -0.052 0.000 2.628 352 R HA 0.644 4.984 4.340 -0.000 0.000 0.288 352 R C -1.875 174.382 176.300 -0.071 0.000 0.980 352 R CA -0.916 55.156 56.100 -0.047 0.000 0.891 352 R CB 1.345 31.622 30.300 -0.038 0.000 1.188 352 R HN 0.691 nan 8.270 nan 0.000 0.450 353 L N 4.747 125.950 121.223 -0.032 0.000 2.276 353 L HA 0.433 4.773 4.340 -0.000 0.000 0.286 353 L C -1.126 175.739 176.870 -0.007 0.000 1.061 353 L CA -0.221 54.608 54.840 -0.018 0.000 0.807 353 L CB 1.289 43.345 42.059 -0.004 0.000 1.177 353 L HN 0.754 nan 8.230 nan 0.000 0.429 354 C N 6.195 125.488 119.300 -0.011 0.000 2.271 354 C HA 0.679 5.139 4.460 -0.000 0.000 0.323 354 C C -0.362 174.640 174.990 0.019 0.000 1.245 354 C CA -0.642 58.378 59.018 0.003 0.000 1.548 354 C CB 0.040 27.773 27.740 -0.011 0.000 2.214 354 C HN 0.609 nan 8.230 nan 0.000 0.477 355 V N 7.744 127.677 119.914 0.032 0.000 2.350 355 V HA 0.309 4.429 4.120 -0.000 0.000 0.276 355 V C 0.235 176.303 176.094 -0.043 0.000 1.028 355 V CA -0.343 61.968 62.300 0.018 0.000 0.860 355 V CB 1.292 33.173 31.823 0.097 0.000 0.990 355 V HN 0.706 nan 8.190 nan 0.000 0.453 356 V N 3.909 123.751 119.914 -0.121 0.000 2.530 356 V HA 0.176 4.296 4.120 -0.000 0.000 0.282 356 V C 0.237 176.255 176.094 -0.126 0.000 1.048 356 V CA -0.326 61.916 62.300 -0.097 0.000 0.997 356 V CB 1.570 33.359 31.823 -0.057 0.000 0.987 356 V HN 0.954 nan 8.190 nan 0.000 0.477 357 D N 3.672 124.035 120.400 -0.062 0.000 2.352 357 D HA 0.459 5.099 4.640 -0.000 0.000 0.245 357 D C -0.173 176.104 176.300 -0.038 0.000 1.224 357 D CA 0.495 54.459 54.000 -0.060 0.000 0.879 357 D CB 0.707 41.484 40.800 -0.039 0.000 1.057 357 D HN 0.708 nan 8.370 nan 0.000 0.491 358 T N 2.194 116.717 114.554 -0.053 0.000 2.827 358 T HA 0.262 4.612 4.350 -0.000 0.000 0.328 358 T C -0.448 174.241 174.700 -0.018 0.000 1.598 358 T CA -0.764 61.328 62.100 -0.013 0.000 1.043 358 T CB 0.598 69.484 68.868 0.029 0.000 1.447 358 T HN 0.364 nan 8.240 nan 0.000 0.491 359 N N 1.082 119.790 118.700 0.013 0.000 2.177 359 N HA 0.141 4.881 4.740 -0.000 0.000 0.218 359 N C 0.720 176.263 175.510 0.055 0.000 1.182 359 N CA -0.165 52.896 53.050 0.019 0.000 0.882 359 N CB 0.354 38.847 38.487 0.010 0.000 1.052 359 N HN 0.523 nan 8.380 nan 0.000 0.519 360 E N 0.722 120.974 120.200 0.088 0.000 2.409 360 E HA 0.082 4.432 4.350 -0.000 0.000 0.198 360 E C 1.007 177.706 176.600 0.164 0.000 1.024 360 E CA 0.808 57.282 56.400 0.124 0.000 0.861 360 E CB -0.346 29.443 29.700 0.150 0.000 0.788 360 E HN 0.573 nan 8.360 nan 0.000 0.521 361 G N 0.807 109.719 108.800 0.187 0.000 2.632 361 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.224 361 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.224 361 G C 0.477 175.628 174.900 0.419 0.000 1.341 361 G CA 0.335 45.588 45.100 0.254 0.000 0.880 361 G HN 0.374 nan 8.290 nan 0.000 0.566 362 H N 0.263 119.536 119.070 0.337 0.000 2.422 362 H HA -0.030 4.526 4.556 -0.000 0.000 0.298 362 H C 2.171 177.620 175.328 0.200 0.000 1.098 362 H CA 2.366 58.667 56.048 0.422 0.000 1.315 362 H CB -0.161 29.842 29.762 0.402 0.000 1.382 362 H HN 0.442 nan 8.280 nan 0.000 0.523 363 D N -0.233 120.154 120.400 -0.021 0.000 2.357 363 D HA -0.173 4.467 4.640 -0.000 0.000 0.216 363 D C 1.916 177.959 176.300 -0.430 0.000 0.973 363 D CA 0.935 54.719 54.000 -0.360 0.000 0.912 363 D CB -0.654 40.085 40.800 -0.101 0.000 0.900 363 D HN 0.631 nan 8.370 nan 0.000 0.501 364 F N 0.604 120.465 119.950 -0.149 0.000 2.192 364 F HA -0.249 4.278 4.527 -0.000 0.000 0.301 364 F C 1.908 177.708 175.800 0.001 0.000 1.079 364 F CA 0.839 58.818 58.000 -0.034 0.000 1.303 364 F CB -1.474 37.563 39.000 0.062 0.000 1.024 364 F HN 0.038 nan 8.300 nan 0.000 0.494 365 F N -0.022 119.218 119.950 -1.183 0.000 2.365 365 F HA 0.086 4.613 4.527 -0.000 0.000 0.300 365 F C 1.629 177.474 175.800 0.075 0.000 1.090 365 F CA 0.720 58.321 58.000 -0.666 0.000 1.408 365 F CB -1.486 37.145 39.000 -0.614 0.000 1.060 365 F HN -0.039 nan 8.300 nan 0.000 0.534 366 V N 0.447 120.067 119.914 -0.489 0.000 2.575 366 V HA -0.109 4.011 4.120 -0.000 0.000 0.242 366 V C 2.377 178.482 176.094 0.018 0.000 1.045 366 V CA 1.088 63.323 62.300 -0.109 0.000 1.065 366 V CB -0.235 31.372 31.823 -0.360 0.000 0.717 366 V HN 0.276 nan 8.190 nan 0.000 0.467 367 M N -0.264 119.302 119.600 -0.056 0.000 2.200 367 M HA 0.026 4.506 4.480 -0.000 0.000 0.265 367 M C 1.219 177.567 176.300 0.079 0.000 1.066 367 M CA 1.304 56.620 55.300 0.028 0.000 1.127 367 M CB -0.664 31.957 32.600 0.036 0.000 1.379 367 M HN 0.274 nan 8.290 nan 0.000 0.420 368 E N 0.471 120.741 120.200 0.117 0.000 2.405 368 E HA 0.343 4.693 4.350 -0.000 0.000 0.214 368 E C 1.367 178.042 176.600 0.126 0.000 1.101 368 E CA -0.065 56.421 56.400 0.143 0.000 1.254 368 E CB -0.040 29.800 29.700 0.234 0.000 1.240 368 E HN 0.266 nan 8.360 nan 0.000 0.439 369 A N 1.045 123.937 122.820 0.120 0.000 1.940 369 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 369 A C 1.672 179.226 177.584 -0.050 0.000 1.176 369 A CA 1.622 53.709 52.037 0.084 0.000 0.631 369 A CB -0.131 18.967 19.000 0.164 0.000 0.814 369 A HN 0.092 nan 8.150 nan 0.000 0.446 370 D N -0.280 120.107 120.400 -0.021 0.000 2.123 370 D HA -0.132 4.508 4.640 -0.000 0.000 0.196 370 D C 1.964 178.231 176.300 -0.055 0.000 0.992 370 D CA 1.509 55.477 54.000 -0.053 0.000 0.833 370 D CB -0.225 40.562 40.800 -0.023 0.000 0.954 370 D HN 0.525 nan 8.370 nan 0.000 0.455 371 K N 0.102 120.499 120.400 -0.005 0.000 2.057 371 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 371 K C 2.145 178.742 176.600 -0.006 0.000 1.050 371 K CA 0.547 56.840 56.287 0.011 0.000 0.935 371 K CB -0.041 32.497 32.500 0.064 0.000 0.715 371 K HN 0.008 nan 8.250 nan 0.000 0.439 372 V N 2.403 122.314 119.914 -0.004 0.000 2.295 372 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 372 V C 2.249 178.191 176.094 -0.252 0.000 1.049 372 V CA 1.749 64.005 62.300 -0.073 0.000 1.024 372 V CB -0.687 31.113 31.823 -0.039 0.000 0.648 372 V HN 0.479 nan 8.190 nan 0.000 0.447 373 N N 0.618 119.122 118.700 -0.327 0.000 2.036 373 N HA -0.254 4.486 4.740 -0.000 0.000 0.195 373 N C 1.501 176.853 175.510 -0.262 0.000 1.037 373 N CA 2.343 55.154 53.050 -0.398 0.000 0.855 373 N CB -0.175 38.102 38.487 -0.350 0.000 1.033 373 N HN 0.471 nan 8.380 nan 0.000 0.423 374 D N 0.521 120.825 120.400 -0.160 0.000 2.144 374 D HA -0.029 4.611 4.640 -0.000 0.000 0.200 374 D C 1.912 178.167 176.300 -0.075 0.000 0.978 374 D CA 1.139 55.078 54.000 -0.102 0.000 0.833 374 D CB -0.532 40.230 40.800 -0.064 0.000 0.961 374 D HN 0.438 nan 8.370 nan 0.000 0.470 375 A N 0.630 123.409 122.820 -0.069 0.000 1.877 375 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 375 A C 2.507 180.074 177.584 -0.028 0.000 1.186 375 A CA 1.317 53.332 52.037 -0.037 0.000 0.620 375 A CB -0.794 18.189 19.000 -0.029 0.000 0.822 375 A HN 0.141 nan 8.150 nan 0.000 0.443 376 V N 0.186 120.038 119.914 -0.103 0.000 2.295 376 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 376 V C 2.676 178.741 176.094 -0.047 0.000 1.049 376 V CA 2.281 64.527 62.300 -0.091 0.000 1.024 376 V CB -0.838 30.810 31.823 -0.291 0.000 0.648 376 V HN 0.684 nan 8.190 nan 0.000 0.447 377 R N 0.408 120.832 120.500 -0.126 0.000 2.081 377 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 377 R C 2.335 178.626 176.300 -0.015 0.000 1.131 377 R CA 1.860 57.910 56.100 -0.084 0.000 0.960 377 R CB -0.784 29.447 30.300 -0.116 0.000 0.856 377 R HN 0.526 nan 8.270 nan 0.000 0.436 378 G N 0.143 108.947 108.800 0.006 0.000 2.422 378 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 378 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 378 G C 1.211 176.169 174.900 0.096 0.000 1.146 378 G CA 0.582 45.704 45.100 0.037 0.000 0.769 378 G HN 0.414 nan 8.290 nan 0.000 0.547 379 F N 0.759 120.683 119.950 -0.042 0.000 2.128 379 F HA 0.121 4.648 4.527 -0.000 0.000 0.295 379 F C 2.263 178.051 175.800 -0.022 0.000 1.100 379 F CA 0.515 58.498 58.000 -0.029 0.000 1.260 379 F CB -0.280 38.699 39.000 -0.034 0.000 1.009 379 F HN 0.009 nan 8.300 nan 0.000 0.476 380 L N 0.630 121.789 121.223 -0.106 0.000 2.127 380 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 380 L C 1.913 178.729 176.870 -0.089 0.000 1.089 380 L CA 1.647 56.390 54.840 -0.162 0.000 0.757 380 L CB -1.288 40.747 42.059 -0.040 0.000 0.899 380 L HN 0.105 nan 8.230 nan 0.000 0.434 381 D N -1.277 119.095 120.400 -0.047 0.000 2.269 381 D HA -0.085 4.555 4.640 -0.000 0.000 0.208 381 D C 1.388 177.656 176.300 -0.054 0.000 0.963 381 D CA 0.328 54.309 54.000 -0.032 0.000 0.864 381 D CB 0.067 40.856 40.800 -0.017 0.000 0.936 381 D HN 0.355 nan 8.370 nan 0.000 0.505 382 Q N 0.000 119.747 119.800 -0.088 0.000 2.315 382 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 382 Q CA 0.000 55.755 55.803 -0.079 0.000 1.022 382 Q CB 0.000 28.684 28.738 -0.089 0.000 1.108 382 Q HN 0.000 nan 8.270 nan 0.000 0.481