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 1dv3_1_S DATA FIRST_RESID 3 DATA SEQUENCE YQNIFSQVQV RGPADLGMTE DVNLANRSGV GPFSTLLGWF GNAQLGPIYL DATA SEQUENCE GSLGVLSLFS GLMWFFTIGI WFWYQAGWNP AVFLRDLFFF SLEPPAPEYG DATA SEQUENCE LSFAAPLKEG GLWLIASFFM FVAVWSWWGR TYLRAQALGM GKHTAWAFLS DATA SEQUENCE AIWLWMVLGF IRPILMGSWS EAVPYGIFSH LDWTNNFSLV HGNLFYNPFH DATA SEQUENCE GLSIAFLYGS ALLFAMHGAT ILAVSRFGGE RELEQIADRG TAAERAALFW DATA SEQUENCE RWTMGFNATM EGIHRWAIWM AVLVTLTGGI GILLSGTVVD NWYVWGQNH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.885 175.900 -0.024 0.000 1.272 3 Y CA 0.000 58.094 58.100 -0.010 0.000 1.940 3 Y CB 0.000 38.454 38.460 -0.009 0.000 1.050 4 Q N 2.859 122.288 119.800 -0.618 0.000 2.384 4 Q HA 0.091 4.432 4.340 0.001 0.000 0.207 4 Q C 0.454 176.050 176.000 -0.673 0.000 0.904 4 Q CA 0.776 56.273 55.803 -0.510 0.000 0.933 4 Q CB 0.162 28.725 28.738 -0.291 0.000 1.077 4 Q HN 0.755 nan 8.270 nan 0.000 0.522 5 N N 0.185 118.117 118.700 -1.281 0.000 2.754 5 N HA -0.163 4.578 4.740 0.001 0.000 0.248 5 N C 0.186 175.493 175.510 -0.338 0.000 1.093 5 N CA 0.266 52.880 53.050 -0.726 0.000 0.699 5 N CB -0.924 37.350 38.487 -0.354 0.000 1.016 5 N HN 0.163 nan 8.380 nan 0.000 0.552 6 I N -1.362 119.005 120.570 -0.337 0.000 2.628 6 I HA 0.138 4.309 4.170 0.001 0.000 0.255 6 I C 0.587 176.503 176.117 -0.334 0.000 1.119 6 I CA 1.011 62.092 61.300 -0.366 0.000 1.448 6 I CB -0.504 37.208 38.000 -0.481 0.000 1.133 6 I HN 0.045 nan 8.210 nan 0.000 0.438 7 F N 0.312 120.340 119.950 0.131 0.000 2.532 7 F HA 0.413 4.940 4.527 0.001 0.000 0.321 7 F C 0.798 176.794 175.800 0.326 0.000 1.089 7 F CA -1.111 57.042 58.000 0.256 0.000 0.926 7 F CB 1.307 40.426 39.000 0.198 0.000 1.168 7 F HN -0.327 nan 8.300 nan 0.000 0.459 8 S N 1.600 117.654 115.700 0.590 0.000 2.576 8 S HA 0.114 4.585 4.470 0.001 0.000 0.276 8 S C 0.932 175.832 174.600 0.500 0.000 1.339 8 S CA -0.454 58.035 58.200 0.481 0.000 1.039 8 S CB 1.152 64.562 63.200 0.350 0.000 0.902 8 S HN 0.702 nan 8.310 nan 0.000 0.516 9 Q N 0.530 120.501 119.800 0.286 0.000 2.165 9 Q HA 0.159 4.499 4.340 0.001 0.000 0.197 9 Q C 0.240 176.390 176.000 0.251 0.000 0.952 9 Q CA 0.640 56.547 55.803 0.174 0.000 0.848 9 Q CB 0.295 28.966 28.738 -0.112 0.000 0.931 9 Q HN 0.460 nan 8.270 nan 0.000 0.470 10 V N 0.864 120.877 119.914 0.166 0.000 2.577 10 V HA 0.266 4.387 4.120 0.001 0.000 0.303 10 V C -1.591 174.526 176.094 0.039 0.000 1.042 10 V CA -0.634 61.734 62.300 0.114 0.000 0.872 10 V CB 1.910 33.757 31.823 0.039 0.000 0.998 10 V HN 0.130 nan 8.190 nan 0.000 0.423 11 Q N 3.512 123.276 119.800 -0.060 0.000 2.235 11 Q HA 0.666 5.007 4.340 0.001 0.000 0.250 11 Q C -1.109 174.831 176.000 -0.099 0.000 0.909 11 Q CA -0.387 55.330 55.803 -0.143 0.000 0.910 11 Q CB 2.391 30.918 28.738 -0.352 0.000 1.223 11 Q HN 0.649 nan 8.270 nan 0.000 0.432 12 V N 2.825 122.693 119.914 -0.076 0.000 2.823 12 V HA 0.651 4.772 4.120 0.001 0.000 0.312 12 V C -1.123 174.928 176.094 -0.072 0.000 1.072 12 V CA -0.558 61.703 62.300 -0.065 0.000 0.937 12 V CB 2.139 33.938 31.823 -0.040 0.000 1.013 12 V HN 0.757 nan 8.190 nan 0.000 0.430 13 R N 2.703 123.147 120.500 -0.093 0.000 2.698 13 R HA 0.762 5.102 4.340 0.001 0.000 0.275 13 R C -0.545 175.680 176.300 -0.126 0.000 1.001 13 R CA 0.050 56.077 56.100 -0.122 0.000 0.896 13 R CB 2.261 32.425 30.300 -0.227 0.000 1.218 13 R HN 0.935 nan 8.270 nan 0.000 0.462 14 G N 1.974 110.708 108.800 -0.110 0.000 3.086 14 G HA2 0.544 4.504 3.960 0.001 0.000 0.282 14 G HA3 0.544 4.504 3.960 0.001 0.000 0.282 14 G C -2.643 172.206 174.900 -0.084 0.000 1.343 14 G CA -1.020 44.028 45.100 -0.086 0.000 0.895 14 G HN 0.431 nan 8.290 nan 0.000 0.557 15 P HA 0.379 nan 4.420 nan 0.000 0.265 15 P C 0.171 177.520 177.300 0.083 0.000 1.187 15 P CA 0.100 63.200 63.100 -0.001 0.000 0.766 15 P CB 0.566 32.269 31.700 0.004 0.000 0.820 16 A N 2.430 125.348 122.820 0.164 0.000 2.565 16 A HA 0.035 4.356 4.320 0.001 0.000 0.237 16 A C 0.435 178.099 177.584 0.133 0.000 1.053 16 A CA 0.210 52.421 52.037 0.290 0.000 0.755 16 A CB -0.244 18.919 19.000 0.272 0.000 0.980 16 A HN 0.531 nan 8.150 nan 0.000 0.506 17 D N 2.317 122.780 120.400 0.105 0.000 2.313 17 D HA 0.334 4.975 4.640 0.001 0.000 0.239 17 D C 0.767 177.079 176.300 0.019 0.000 1.142 17 D CA -0.176 53.852 54.000 0.047 0.000 0.847 17 D CB 0.851 41.672 40.800 0.036 0.000 1.082 17 D HN 0.451 nan 8.370 nan 0.000 0.480 18 L N 2.886 124.118 121.223 0.015 0.000 2.558 18 L HA 0.239 4.579 4.340 0.001 0.000 0.225 18 L C 1.419 178.288 176.870 -0.001 0.000 1.128 18 L CA 0.233 55.077 54.840 0.005 0.000 0.868 18 L CB -0.617 41.447 42.059 0.008 0.000 1.006 18 L HN 0.615 nan 8.230 nan 0.000 0.454 19 G N 0.226 109.023 108.800 -0.004 0.000 2.758 19 G HA2 -0.185 3.776 3.960 0.001 0.000 0.686 19 G HA3 -0.185 3.776 3.960 0.001 0.000 0.686 19 G C -0.306 174.586 174.900 -0.014 0.000 1.389 19 G CA -0.982 44.110 45.100 -0.012 0.000 0.845 19 G HN -0.123 nan 8.290 nan 0.000 0.572 20 M N 0.493 120.079 119.600 -0.024 0.000 2.252 20 M HA 0.187 4.667 4.480 0.001 0.000 0.333 20 M C 1.750 178.034 176.300 -0.026 0.000 1.111 20 M CA 0.841 56.125 55.300 -0.027 0.000 1.140 20 M CB -0.096 32.480 32.600 -0.039 0.000 1.538 20 M HN 0.694 nan 8.290 nan 0.000 0.448 21 T N 0.250 114.791 114.554 -0.022 0.000 2.904 21 T HA 0.025 4.375 4.350 0.001 0.000 0.243 21 T C 0.799 175.483 174.700 -0.027 0.000 1.024 21 T CA 0.440 62.530 62.100 -0.017 0.000 1.158 21 T CB 0.105 68.967 68.868 -0.011 0.000 0.867 21 T HN 0.710 nan 8.240 nan 0.000 0.429 22 E N 0.781 120.962 120.200 -0.032 0.000 3.440 22 E HA -0.198 4.152 4.350 0.001 0.000 0.328 22 E C -0.037 176.542 176.600 -0.035 0.000 1.514 22 E CA 1.607 57.983 56.400 -0.040 0.000 1.926 22 E CB -0.920 28.745 29.700 -0.058 0.000 1.874 22 E HN 0.323 nan 8.360 nan 0.000 0.471 23 D N -0.147 120.225 120.400 -0.047 0.000 2.325 23 D HA 0.097 4.737 4.640 0.001 0.000 0.225 23 D C 0.136 176.415 176.300 -0.036 0.000 1.096 23 D CA 0.520 54.498 54.000 -0.038 0.000 0.844 23 D CB -0.237 40.536 40.800 -0.044 0.000 0.925 23 D HN 0.208 nan 8.370 nan 0.000 0.513 24 V N 0.909 120.800 119.914 -0.038 0.000 2.775 24 V HA 0.163 4.284 4.120 0.001 0.000 0.299 24 V C 0.332 176.468 176.094 0.069 0.000 1.062 24 V CA -0.734 61.557 62.300 -0.015 0.000 1.063 24 V CB 1.495 33.285 31.823 -0.055 0.000 0.994 24 V HN -0.100 nan 8.190 nan 0.000 0.483 25 N N 5.038 123.833 118.700 0.159 0.000 2.466 25 N HA 0.060 4.801 4.740 0.001 0.000 0.263 25 N C 0.687 176.270 175.510 0.121 0.000 1.178 25 N CA -0.194 52.936 53.050 0.133 0.000 0.983 25 N CB 0.426 38.996 38.487 0.138 0.000 1.331 25 N HN 0.715 nan 8.380 nan 0.000 0.500 26 L N 2.954 124.214 121.223 0.062 0.000 2.263 26 L HA -0.154 4.186 4.340 0.001 0.000 0.216 26 L C 2.212 179.070 176.870 -0.020 0.000 1.111 26 L CA 1.300 56.158 54.840 0.030 0.000 0.773 26 L CB -1.423 40.645 42.059 0.014 0.000 0.906 26 L HN 0.616 nan 8.230 nan 0.000 0.439 27 A N -0.759 122.040 122.820 -0.035 0.000 2.015 27 A HA -0.137 4.184 4.320 0.001 0.000 0.219 27 A C 1.918 179.420 177.584 -0.138 0.000 1.163 27 A CA 1.291 53.287 52.037 -0.068 0.000 0.646 27 A CB -0.404 18.564 19.000 -0.053 0.000 0.806 27 A HN 0.486 nan 8.150 nan 0.000 0.448 28 N N -0.651 117.908 118.700 -0.235 0.000 2.398 28 N HA 0.031 4.772 4.740 0.001 0.000 0.188 28 N C 0.412 175.605 175.510 -0.529 0.000 1.122 28 N CA 0.183 52.947 53.050 -0.476 0.000 0.866 28 N CB 0.020 37.999 38.487 -0.846 0.000 0.970 28 N HN 0.381 nan 8.380 nan 0.000 0.462 29 R N 1.242 121.582 120.500 -0.267 0.000 2.308 29 R HA 0.147 4.488 4.340 0.001 0.000 0.305 29 R C 0.682 176.923 176.300 -0.098 0.000 1.053 29 R CA -0.205 55.817 56.100 -0.129 0.000 0.957 29 R CB 0.645 30.940 30.300 -0.008 0.000 1.022 29 R HN 0.071 nan 8.270 nan 0.000 0.461 30 S N 2.074 117.727 115.700 -0.078 0.000 2.625 30 S HA 0.459 4.929 4.470 0.001 0.000 0.258 30 S C 0.597 175.175 174.600 -0.038 0.000 1.256 30 S CA -0.411 57.755 58.200 -0.058 0.000 0.983 30 S CB 0.818 63.991 63.200 -0.046 0.000 1.032 30 S HN 0.642 nan 8.310 nan 0.000 0.572 31 G N -0.849 107.932 108.800 -0.031 0.000 2.522 31 G HA2 0.518 4.479 3.960 0.001 0.000 0.304 31 G HA3 0.518 4.479 3.960 0.001 0.000 0.304 31 G C -0.553 174.332 174.900 -0.025 0.000 1.210 31 G CA -0.937 44.151 45.100 -0.021 0.000 0.960 31 G HN 0.785 nan 8.290 nan 0.000 0.497 32 V N 0.479 120.382 119.914 -0.018 0.000 2.740 32 V HA 0.409 4.530 4.120 0.001 0.000 0.303 32 V C 1.429 177.491 176.094 -0.052 0.000 1.054 32 V CA 0.411 62.686 62.300 -0.042 0.000 1.106 32 V CB 0.704 32.521 31.823 -0.011 0.000 0.957 32 V HN 0.925 nan 8.190 nan 0.000 0.486 33 G N 4.897 113.632 108.800 -0.107 0.000 2.510 33 G HA2 0.547 4.507 3.960 0.001 0.000 0.280 33 G HA3 0.547 4.507 3.960 0.001 0.000 0.280 33 G C -2.319 172.514 174.900 -0.111 0.000 1.386 33 G CA -0.886 44.157 45.100 -0.094 0.000 1.047 33 G HN 0.654 nan 8.290 nan 0.000 0.527 34 P HA 0.370 nan 4.420 nan 0.000 0.276 34 P C -1.318 175.933 177.300 -0.081 0.000 1.261 34 P CA -0.392 62.716 63.100 0.013 0.000 0.800 34 P CB 0.985 32.705 31.700 0.033 0.000 1.066 35 F N -0.386 119.551 119.950 -0.021 0.000 2.420 35 F HA 0.296 4.823 4.527 0.001 0.000 0.342 35 F C 1.207 176.987 175.800 -0.035 0.000 1.113 35 F CA -0.187 57.795 58.000 -0.031 0.000 1.059 35 F CB 1.483 40.458 39.000 -0.042 0.000 1.128 35 F HN 0.107 nan 8.300 nan 0.000 0.475 36 S N 2.095 117.849 115.700 0.089 0.000 2.420 36 S HA 0.212 4.682 4.470 0.001 0.000 0.313 36 S C 0.893 175.498 174.600 0.008 0.000 1.079 36 S CA -0.467 57.761 58.200 0.046 0.000 1.104 36 S CB 0.857 64.071 63.200 0.024 0.000 0.969 36 S HN 0.749 nan 8.310 nan 0.000 0.471 37 T N 5.431 119.969 114.554 -0.028 0.000 2.904 37 T HA -0.061 4.289 4.350 0.001 0.000 0.267 37 T C 1.713 176.277 174.700 -0.227 0.000 1.059 37 T CA 1.005 63.000 62.100 -0.174 0.000 1.137 37 T CB -0.254 68.534 68.868 -0.132 0.000 0.879 37 T HN 0.563 nan 8.240 nan 0.000 0.467 38 L N 0.962 122.187 121.223 0.003 0.000 1.994 38 L HA 0.039 4.380 4.340 0.001 0.000 0.208 38 L C 2.101 179.067 176.870 0.160 0.000 1.071 38 L CA 1.691 56.624 54.840 0.155 0.000 0.745 38 L CB -0.525 41.610 42.059 0.127 0.000 0.892 38 L HN 0.240 nan 8.230 nan 0.000 0.431 39 L N -0.926 120.353 121.223 0.094 0.000 2.141 39 L HA -0.084 4.256 4.340 0.001 0.000 0.209 39 L C 2.461 179.409 176.870 0.131 0.000 1.094 39 L CA 0.972 55.895 54.840 0.139 0.000 0.763 39 L CB -1.249 40.865 42.059 0.091 0.000 0.908 39 L HN 0.474 nan 8.230 nan 0.000 0.437 40 G N -0.626 108.159 108.800 -0.025 0.000 2.479 40 G HA2 -0.266 3.695 3.960 0.001 0.000 0.220 40 G HA3 -0.266 3.695 3.960 0.001 0.000 0.220 40 G C 1.140 175.994 174.900 -0.077 0.000 1.115 40 G CA 0.277 45.308 45.100 -0.116 0.000 0.757 40 G HN 0.442 nan 8.290 nan 0.000 0.560 41 W N -1.390 120.008 121.300 0.162 0.000 2.467 41 W HA 0.256 4.916 4.660 0.001 0.000 0.275 41 W C 1.950 178.717 176.519 0.414 0.000 1.239 41 W CA -0.422 57.048 57.345 0.208 0.000 1.266 41 W CB -0.083 29.425 29.460 0.081 0.000 1.112 41 W HN 0.146 nan 8.180 nan 0.000 0.576 42 F N -0.752 119.437 119.950 0.398 0.000 2.453 42 F HA 0.411 4.939 4.527 0.001 0.000 0.284 42 F C 1.412 177.315 175.800 0.171 0.000 1.065 42 F CA 1.279 59.480 58.000 0.334 0.000 1.411 42 F CB -0.298 38.891 39.000 0.314 0.000 1.131 42 F HN -0.231 nan 8.300 nan 0.000 0.582 43 G N -0.802 108.087 108.800 0.148 0.000 2.976 43 G HA2 0.169 4.130 3.960 0.001 0.000 0.276 43 G HA3 0.169 4.130 3.960 0.001 0.000 0.276 43 G C -1.207 173.717 174.900 0.040 0.000 1.207 43 G CA -0.823 44.283 45.100 0.009 0.000 0.803 43 G HN -0.097 nan 8.290 nan 0.000 0.572 44 N N 0.538 119.250 118.700 0.020 0.000 2.441 44 N HA 0.323 5.063 4.740 0.001 0.000 0.251 44 N C 1.053 176.574 175.510 0.020 0.000 1.242 44 N CA 0.578 53.637 53.050 0.016 0.000 0.898 44 N CB 1.658 40.143 38.487 -0.003 0.000 1.100 44 N HN 0.597 nan 8.380 nan 0.000 0.443 45 A N 1.843 124.683 122.820 0.033 0.000 2.095 45 A HA -0.039 4.282 4.320 0.001 0.000 0.212 45 A C 0.934 178.491 177.584 -0.045 0.000 1.162 45 A CA 0.317 52.384 52.037 0.049 0.000 0.753 45 A CB -0.091 18.987 19.000 0.130 0.000 0.840 45 A HN 0.745 nan 8.150 nan 0.000 0.468 46 Q N 0.380 120.080 119.800 -0.168 0.000 2.304 46 Q HA 0.429 4.770 4.340 0.001 0.000 0.260 46 Q C -1.573 174.211 176.000 -0.361 0.000 0.965 46 Q CA -0.261 55.193 55.803 -0.581 0.000 0.898 46 Q CB 0.443 28.876 28.738 -0.510 0.000 1.196 46 Q HN 0.305 nan 8.270 nan 0.000 0.402 47 L N 3.642 124.622 121.223 -0.404 0.000 2.317 47 L HA 0.648 4.988 4.340 0.001 0.000 0.281 47 L C 0.470 177.217 176.870 -0.205 0.000 1.024 47 L CA 0.735 55.444 54.840 -0.217 0.000 0.810 47 L CB 1.622 43.589 42.059 -0.153 0.000 1.240 47 L HN 0.930 nan 8.230 nan 0.000 0.427 48 G N 3.150 111.877 108.800 -0.122 0.000 2.877 48 G HA2 -0.140 3.821 3.960 0.001 0.000 0.279 48 G HA3 -0.140 3.821 3.960 0.001 0.000 0.279 48 G C -2.766 172.076 174.900 -0.097 0.000 1.431 48 G CA -0.682 44.365 45.100 -0.089 0.000 0.883 48 G HN 0.543 nan 8.290 nan 0.000 0.547 49 P HA 0.557 nan 4.420 nan 0.000 0.274 49 P C -0.180 177.112 177.300 -0.012 0.000 1.256 49 P CA -0.413 62.666 63.100 -0.035 0.000 0.795 49 P CB 1.255 32.942 31.700 -0.022 0.000 1.038 50 I N 0.443 121.012 120.570 -0.000 0.000 2.693 50 I HA 0.348 4.518 4.170 0.001 0.000 0.303 50 I C -1.014 175.134 176.117 0.053 0.000 1.025 50 I CA -1.452 59.867 61.300 0.032 0.000 1.086 50 I CB 1.743 39.763 38.000 0.032 0.000 1.268 50 I HN 0.231 nan 8.210 nan 0.000 0.440 51 Y N 7.149 127.418 120.300 -0.053 0.000 2.350 51 Y HA 0.490 5.040 4.550 0.001 0.000 0.340 51 Y C -1.038 174.826 175.900 -0.059 0.000 1.006 51 Y CA -0.354 57.707 58.100 -0.064 0.000 1.166 51 Y CB 0.851 39.257 38.460 -0.091 0.000 1.168 51 Y HN 0.392 nan 8.280 nan 0.000 0.502 52 L N 7.715 128.746 121.223 -0.320 0.000 2.502 52 L HA 0.440 4.780 4.340 0.001 0.000 0.247 52 L C 0.661 177.377 176.870 -0.257 0.000 1.180 52 L CA -0.489 54.246 54.840 -0.175 0.000 0.956 52 L CB 0.392 42.386 42.059 -0.108 0.000 1.282 52 L HN 0.873 nan 8.230 nan 0.000 0.470 53 G N -0.115 108.600 108.800 -0.141 0.000 2.525 53 G HA2 0.217 4.177 3.960 0.001 0.000 0.287 53 G HA3 0.217 4.177 3.960 0.001 0.000 0.287 53 G C 0.774 175.672 174.900 -0.004 0.000 1.350 53 G CA -0.224 44.841 45.100 -0.058 0.000 1.039 53 G HN 0.371 nan 8.290 nan 0.000 0.513 54 S N -0.848 114.860 115.700 0.014 0.000 2.368 54 S HA -0.120 4.350 4.470 0.001 0.000 0.224 54 S C 2.337 176.962 174.600 0.042 0.000 1.029 54 S CA 0.703 58.913 58.200 0.017 0.000 0.988 54 S CB -0.343 62.865 63.200 0.013 0.000 0.838 54 S HN 0.323 nan 8.310 nan 0.000 0.462 55 L N 1.955 123.206 121.223 0.046 0.000 2.083 55 L HA -0.007 4.333 4.340 0.001 0.000 0.209 55 L C 2.247 179.155 176.870 0.064 0.000 1.083 55 L CA 1.809 56.679 54.840 0.050 0.000 0.752 55 L CB -1.290 40.778 42.059 0.016 0.000 0.899 55 L HN 0.344 nan 8.230 nan 0.000 0.433 56 G N -1.868 106.960 108.800 0.048 0.000 2.403 56 G HA2 -0.132 3.829 3.960 0.001 0.000 0.216 56 G HA3 -0.132 3.829 3.960 0.001 0.000 0.216 56 G C 1.547 176.532 174.900 0.141 0.000 1.154 56 G CA 0.823 45.970 45.100 0.078 0.000 0.784 56 G HN 0.296 nan 8.290 nan 0.000 0.538 57 V N 0.788 120.759 119.914 0.095 0.000 2.358 57 V HA -0.118 4.003 4.120 0.001 0.000 0.246 57 V C 2.661 178.847 176.094 0.154 0.000 1.047 57 V CA 1.597 63.955 62.300 0.097 0.000 1.035 57 V CB -0.407 31.437 31.823 0.034 0.000 0.658 57 V HN 0.364 nan 8.190 nan 0.000 0.452 58 L N 0.137 121.445 121.223 0.142 0.000 2.012 58 L HA -0.153 4.187 4.340 0.001 0.000 0.210 58 L C 2.626 179.647 176.870 0.253 0.000 1.073 58 L CA 2.521 57.481 54.840 0.199 0.000 0.748 58 L CB -0.876 41.275 42.059 0.152 0.000 0.891 58 L HN 0.316 nan 8.230 nan 0.000 0.431 59 S N -0.825 115.011 115.700 0.227 0.000 2.359 59 S HA -0.218 4.252 4.470 0.001 0.000 0.224 59 S C 2.105 176.832 174.600 0.212 0.000 1.035 59 S CA 1.786 60.138 58.200 0.253 0.000 1.018 59 S CB -0.574 62.864 63.200 0.396 0.000 0.876 59 S HN 0.528 nan 8.310 nan 0.000 0.448 60 L N -0.184 121.174 121.223 0.224 0.000 2.083 60 L HA -0.063 4.277 4.340 0.001 0.000 0.209 60 L C 2.237 179.181 176.870 0.122 0.000 1.083 60 L CA 1.756 56.684 54.840 0.147 0.000 0.752 60 L CB -0.445 41.704 42.059 0.150 0.000 0.899 60 L HN 0.463 nan 8.230 nan 0.000 0.433 61 F N 0.355 120.326 119.950 0.034 0.000 2.051 61 F HA -0.243 4.284 4.527 0.001 0.000 0.296 61 F C 2.604 178.385 175.800 -0.033 0.000 1.122 61 F CA 2.019 60.015 58.000 -0.006 0.000 1.201 61 F CB -0.514 38.491 39.000 0.009 0.000 0.978 61 F HN 0.012 nan 8.300 nan 0.000 0.472 62 S N 0.417 116.074 115.700 -0.072 0.000 2.368 62 S HA -0.132 4.338 4.470 0.001 0.000 0.225 62 S C 2.367 176.906 174.600 -0.102 0.000 1.030 62 S CA 1.116 59.242 58.200 -0.124 0.000 0.999 62 S CB -1.440 61.855 63.200 0.158 0.000 0.844 62 S HN 0.626 nan 8.310 nan 0.000 0.459 63 G N 2.034 110.826 108.800 -0.012 0.000 2.476 63 G HA2 -0.182 3.778 3.960 0.001 0.000 0.218 63 G HA3 -0.182 3.778 3.960 0.001 0.000 0.218 63 G C 1.334 176.288 174.900 0.090 0.000 1.164 63 G CA 0.844 45.982 45.100 0.063 0.000 0.768 63 G HN 0.450 nan 8.290 nan 0.000 0.560 64 L N -0.223 120.959 121.223 -0.070 0.000 2.093 64 L HA -0.033 4.308 4.340 0.001 0.000 0.208 64 L C 3.047 179.840 176.870 -0.129 0.000 1.085 64 L CA 0.563 55.358 54.840 -0.075 0.000 0.755 64 L CB -0.328 41.652 42.059 -0.131 0.000 0.904 64 L HN 0.139 nan 8.230 nan 0.000 0.435 65 M N -1.215 118.105 119.600 -0.468 0.000 2.159 65 M HA -0.227 4.253 4.480 0.001 0.000 0.263 65 M C 2.054 178.193 176.300 -0.269 0.000 1.063 65 M CA 1.568 56.450 55.300 -0.696 0.000 1.110 65 M CB -1.252 30.242 32.600 -1.842 0.000 1.374 65 M HN 0.444 nan 8.290 nan 0.000 0.411 66 W N 0.485 121.641 121.300 -0.240 0.000 2.354 66 W HA -0.247 4.414 4.660 0.001 0.000 0.315 66 W C 2.201 178.681 176.519 -0.066 0.000 1.206 66 W CA 1.328 58.653 57.345 -0.035 0.000 1.290 66 W CB -1.046 28.401 29.460 -0.022 0.000 1.152 66 W HN 0.167 nan 8.180 nan 0.000 0.489 67 F N 0.100 119.859 119.950 -0.319 0.000 2.171 67 F HA -0.176 4.351 4.527 0.001 0.000 0.300 67 F C 2.322 177.931 175.800 -0.318 0.000 1.090 67 F CA 2.116 59.805 58.000 -0.518 0.000 1.293 67 F CB -1.117 37.726 39.000 -0.261 0.000 1.013 67 F HN -0.012 nan 8.300 nan 0.000 0.486 68 F N 0.568 120.413 119.950 -0.175 0.000 2.146 68 F HA -0.160 4.367 4.527 0.001 0.000 0.298 68 F C 2.350 178.042 175.800 -0.178 0.000 1.096 68 F CA 2.154 60.056 58.000 -0.163 0.000 1.275 68 F CB -1.068 37.851 39.000 -0.134 0.000 1.008 68 F HN -0.150 nan 8.300 nan 0.000 0.480 69 T N 1.767 116.191 114.554 -0.217 0.000 2.684 69 T HA -0.213 4.137 4.350 0.001 0.000 0.267 69 T C 2.130 176.630 174.700 -0.333 0.000 1.036 69 T CA 2.177 64.143 62.100 -0.224 0.000 1.148 69 T CB -0.540 68.348 68.868 0.033 0.000 0.863 69 T HN 0.301 nan 8.240 nan 0.000 0.436 70 I N 1.126 121.384 120.570 -0.519 0.000 2.179 70 I HA -0.096 4.074 4.170 0.001 0.000 0.242 70 I C 2.973 178.669 176.117 -0.701 0.000 1.088 70 I CA 1.339 62.248 61.300 -0.651 0.000 1.357 70 I CB -0.874 36.503 38.000 -1.038 0.000 1.051 70 I HN 0.318 nan 8.210 nan 0.000 0.409 71 G N 0.982 109.353 108.800 -0.716 0.000 2.440 71 G HA2 -0.275 3.686 3.960 0.001 0.000 0.218 71 G HA3 -0.275 3.686 3.960 0.001 0.000 0.218 71 G C 1.774 176.625 174.900 -0.082 0.000 1.154 71 G CA 0.751 45.605 45.100 -0.411 0.000 0.767 71 G HN 0.419 nan 8.290 nan 0.000 0.552 72 I N -0.852 119.549 120.570 -0.281 0.000 2.394 72 I HA -0.033 4.138 4.170 0.001 0.000 0.251 72 I C 2.383 178.547 176.117 0.079 0.000 1.136 72 I CA 0.842 62.077 61.300 -0.108 0.000 1.425 72 I CB -0.060 37.718 38.000 -0.371 0.000 1.079 72 I HN 0.503 nan 8.210 nan 0.000 0.425 73 W N 0.813 122.062 121.300 -0.086 0.000 2.418 73 W HA -0.245 4.415 4.660 0.001 0.000 0.292 73 W C 1.921 178.486 176.519 0.076 0.000 1.213 73 W CA 0.826 58.200 57.345 0.048 0.000 1.283 73 W CB -0.284 29.233 29.460 0.095 0.000 1.119 73 W HN 0.103 nan 8.180 nan 0.000 0.542 74 F N -0.233 119.515 119.950 -0.337 0.000 2.102 74 F HA -0.116 4.412 4.527 0.001 0.000 0.298 74 F C 2.047 177.238 175.800 -1.015 0.000 1.105 74 F CA 1.147 58.645 58.000 -0.836 0.000 1.239 74 F CB -1.667 37.012 39.000 -0.534 0.000 0.991 74 F HN -0.118 nan 8.300 nan 0.000 0.474 75 W N -1.436 119.639 121.300 -0.375 0.000 2.363 75 W HA -0.239 4.421 4.660 0.001 0.000 0.296 75 W C 2.573 178.333 176.519 -1.265 0.000 1.212 75 W CA 1.551 58.532 57.345 -0.606 0.000 1.260 75 W CB -1.013 28.199 29.460 -0.413 0.000 1.131 75 W HN 0.061 nan 8.180 nan 0.000 0.530 76 Y N 1.028 120.625 120.300 -1.172 0.000 2.200 76 Y HA -0.241 4.309 4.550 0.001 0.000 0.290 76 Y C 2.268 177.581 175.900 -0.978 0.000 1.137 76 Y CA 1.984 59.327 58.100 -1.263 0.000 1.163 76 Y CB -0.771 37.254 38.460 -0.725 0.000 0.988 76 Y HN -0.002 nan 8.280 nan 0.000 0.518 77 Q N -0.595 118.509 119.800 -1.159 0.000 2.291 77 Q HA -0.074 4.266 4.340 0.001 0.000 0.205 77 Q C 1.894 177.479 176.000 -0.693 0.000 0.970 77 Q CA 0.924 56.139 55.803 -0.980 0.000 0.876 77 Q CB -0.155 28.055 28.738 -0.882 0.000 0.935 77 Q HN 0.577 nan 8.270 nan 0.000 0.455 78 A N -0.330 122.026 122.820 -0.773 0.000 2.275 78 A HA 0.327 4.647 4.320 0.001 0.000 0.212 78 A C 1.339 178.722 177.584 -0.336 0.000 1.201 78 A CA 0.571 52.364 52.037 -0.406 0.000 0.843 78 A CB -0.114 18.674 19.000 -0.353 0.000 0.873 78 A HN 0.388 nan 8.150 nan 0.000 0.492 79 G N -1.978 106.495 108.800 -0.544 0.000 2.198 79 G HA2 -0.315 3.646 3.960 0.001 0.000 0.260 79 G HA3 -0.315 3.646 3.960 0.001 0.000 0.260 79 G C 0.253 175.115 174.900 -0.064 0.000 1.025 79 G CA 0.183 45.079 45.100 -0.340 0.000 0.769 79 G HN 1.120 nan 8.290 nan 0.000 0.507 80 W N -1.965 119.393 121.300 0.097 0.000 4.849 80 W HA -0.188 4.472 4.660 0.001 0.000 0.358 80 W C 0.532 177.212 176.519 0.268 0.000 1.331 80 W CA 0.315 57.815 57.345 0.258 0.000 0.844 80 W CB -1.915 27.616 29.460 0.118 0.000 2.434 80 W HN 0.577 nan 8.180 nan 0.000 1.458 81 N N 0.624 119.506 118.700 0.303 0.000 2.501 81 N HA 0.226 4.966 4.740 0.001 0.000 0.245 81 N C -1.268 174.379 175.510 0.228 0.000 0.974 81 N CA -1.875 51.315 53.050 0.233 0.000 0.941 81 N CB 1.650 40.199 38.487 0.105 0.000 1.122 81 N HN -0.255 nan 8.380 nan 0.000 0.507 82 P HA -0.150 nan 4.420 nan 0.000 0.216 82 P C 0.916 178.309 177.300 0.155 0.000 1.154 82 P CA 1.579 64.858 63.100 0.299 0.000 0.865 82 P CB 0.325 32.221 31.700 0.327 0.000 0.789 83 A N -0.867 122.021 122.820 0.113 0.000 1.902 83 A HA -0.163 4.157 4.320 0.001 0.000 0.217 83 A C 2.319 179.910 177.584 0.013 0.000 1.181 83 A CA 1.914 53.986 52.037 0.058 0.000 0.623 83 A CB -1.654 17.371 19.000 0.042 0.000 0.818 83 A HN 0.050 nan 8.150 nan 0.000 0.443 84 V N -1.304 118.617 119.914 0.010 0.000 2.427 84 V HA -0.199 3.922 4.120 0.001 0.000 0.248 84 V C 2.254 178.339 176.094 -0.014 0.000 1.051 84 V CA 1.855 64.136 62.300 -0.031 0.000 1.048 84 V CB -0.962 30.846 31.823 -0.024 0.000 0.666 84 V HN 0.629 nan 8.190 nan 0.000 0.456 85 F N 0.322 120.152 119.950 -0.199 0.000 2.171 85 F HA -0.171 4.357 4.527 0.001 0.000 0.300 85 F C 1.979 177.668 175.800 -0.185 0.000 1.090 85 F CA 1.709 59.525 58.000 -0.306 0.000 1.293 85 F CB -0.071 38.312 39.000 -1.027 0.000 1.013 85 F HN 0.030 nan 8.300 nan 0.000 0.486 86 L N 0.151 121.308 121.223 -0.110 0.000 2.162 86 L HA -0.088 4.253 4.340 0.001 0.000 0.205 86 L C 2.552 179.256 176.870 -0.278 0.000 1.086 86 L CA 1.252 55.978 54.840 -0.191 0.000 0.778 86 L CB -0.533 41.523 42.059 -0.006 0.000 0.928 86 L HN 0.172 nan 8.230 nan 0.000 0.446 87 R N -0.800 119.569 120.500 -0.219 0.000 2.153 87 R HA -0.053 4.288 4.340 0.001 0.000 0.218 87 R C 0.794 176.883 176.300 -0.352 0.000 1.072 87 R CA 1.242 57.213 56.100 -0.215 0.000 0.990 87 R CB -0.224 29.980 30.300 -0.160 0.000 0.889 87 R HN 0.139 nan 8.270 nan 0.000 0.452 88 D N 0.287 120.357 120.400 -0.550 0.000 2.363 88 D HA 0.023 4.663 4.640 0.001 0.000 0.214 88 D C 1.324 176.888 176.300 -1.227 0.000 1.093 88 D CA -0.124 53.347 54.000 -0.880 0.000 0.837 88 D CB 0.452 40.581 40.800 -1.118 0.000 0.948 88 D HN 0.108 nan 8.370 nan 0.000 0.507 89 L N 0.289 120.928 121.223 -0.973 0.000 2.034 89 L HA -0.238 4.103 4.340 0.001 0.000 0.217 89 L C 1.484 177.863 176.870 -0.818 0.000 1.077 89 L CA 1.886 56.159 54.840 -0.946 0.000 0.769 89 L CB -0.647 40.773 42.059 -1.065 0.000 0.890 89 L HN -0.072 nan 8.230 nan 0.000 0.435 90 F N -1.847 117.824 119.950 -0.464 0.000 2.604 90 F HA -0.016 4.511 4.527 0.001 0.000 0.298 90 F C 1.701 176.974 175.800 -0.880 0.000 1.131 90 F CA 0.433 57.930 58.000 -0.838 0.000 1.457 90 F CB -0.781 37.323 39.000 -1.493 0.000 1.095 90 F HN 0.029 nan 8.300 nan 0.000 0.574 91 F N -1.698 117.916 119.950 -0.560 0.000 2.656 91 F HA 0.186 4.714 4.527 0.001 0.000 0.291 91 F C 0.882 176.428 175.800 -0.422 0.000 1.122 91 F CA -0.862 56.926 58.000 -0.353 0.000 1.427 91 F CB -0.851 37.949 39.000 -0.334 0.000 1.125 91 F HN -0.305 nan 8.300 nan 0.000 0.583 92 F N 0.561 120.262 119.950 -0.414 0.000 2.539 92 F HA 0.323 4.850 4.527 0.001 0.000 0.340 92 F C 0.825 176.332 175.800 -0.489 0.000 1.185 92 F CA -0.437 57.107 58.000 -0.759 0.000 1.333 92 F CB 0.184 38.049 39.000 -1.892 0.000 1.152 92 F HN -0.289 nan 8.300 nan 0.000 0.602 93 S N 2.248 118.023 115.700 0.125 0.000 2.562 93 S HA 0.397 4.868 4.470 0.001 0.000 0.274 93 S C -1.546 173.422 174.600 0.614 0.000 1.160 93 S CA -0.835 57.607 58.200 0.404 0.000 0.933 93 S CB 0.692 64.068 63.200 0.294 0.000 1.100 93 S HN 0.649 nan 8.310 nan 0.000 0.468 94 L N 4.733 126.318 121.223 0.604 0.000 2.270 94 L HA 0.503 4.843 4.340 0.001 0.000 0.286 94 L C -0.267 176.787 176.870 0.307 0.000 1.059 94 L CA -0.347 54.678 54.840 0.309 0.000 0.839 94 L CB 0.503 42.782 42.059 0.367 0.000 1.221 94 L HN 0.714 nan 8.230 nan 0.000 0.431 95 E N 6.102 126.363 120.200 0.101 0.000 2.313 95 E HA 0.400 4.751 4.350 0.001 0.000 0.272 95 E C -2.301 174.135 176.600 -0.274 0.000 1.038 95 E CA -1.729 54.655 56.400 -0.028 0.000 0.863 95 E CB 1.097 30.799 29.700 0.004 0.000 1.060 95 E HN 0.408 nan 8.360 nan 0.000 0.402 96 P HA 0.244 nan 4.420 nan 0.000 0.277 96 P C -2.560 174.474 177.300 -0.444 0.000 1.271 96 P CA -1.541 60.837 63.100 -1.204 0.000 0.795 96 P CB -0.454 30.124 31.700 -1.871 0.000 1.101 97 P HA 0.057 nan 4.420 nan 0.000 0.268 97 P C -0.172 177.165 177.300 0.062 0.000 1.208 97 P CA 0.395 63.464 63.100 -0.053 0.000 0.777 97 P CB 0.012 31.746 31.700 0.056 0.000 0.875 98 A N 4.740 127.699 122.820 0.231 0.000 2.346 98 A HA 0.261 4.581 4.320 0.001 0.000 0.252 98 A C -1.316 176.362 177.584 0.157 0.000 1.089 98 A CA -0.823 51.322 52.037 0.180 0.000 0.797 98 A CB -1.078 18.037 19.000 0.192 0.000 1.047 98 A HN 0.425 nan 8.150 nan 0.000 0.494 99 P HA -0.164 nan 4.420 nan 0.000 0.216 99 P C 0.749 178.038 177.300 -0.018 0.000 1.150 99 P CA 1.598 64.706 63.100 0.014 0.000 0.843 99 P CB 0.098 31.790 31.700 -0.013 0.000 0.787 100 E N -1.714 118.438 120.200 -0.080 0.000 2.219 100 E HA -0.199 4.151 4.350 0.001 0.000 0.198 100 E C 1.396 177.847 176.600 -0.248 0.000 0.998 100 E CA 1.211 57.488 56.400 -0.205 0.000 0.818 100 E CB -1.102 28.397 29.700 -0.336 0.000 0.741 100 E HN 0.479 nan 8.360 nan 0.000 0.477 101 Y N -0.149 120.156 120.300 0.010 0.000 2.546 101 Y HA 0.156 4.707 4.550 0.001 0.000 0.287 101 Y C 1.833 177.737 175.900 0.007 0.000 1.158 101 Y CA 0.447 58.564 58.100 0.029 0.000 1.307 101 Y CB -0.301 38.205 38.460 0.076 0.000 1.036 101 Y HN 0.108 nan 8.280 nan 0.000 0.532 102 G N 0.934 109.775 108.800 0.069 0.000 2.651 102 G HA2 -0.356 3.604 3.960 0.001 0.000 0.315 102 G HA3 -0.356 3.604 3.960 0.001 0.000 0.315 102 G C 0.568 175.386 174.900 -0.136 0.000 1.258 102 G CA 0.697 45.768 45.100 -0.048 0.000 1.002 102 G HN 0.285 nan 8.290 nan 0.000 0.551 103 L N 1.927 123.001 121.223 -0.248 0.000 2.872 103 L HA 0.369 4.709 4.340 0.001 0.000 0.245 103 L C 1.520 178.317 176.870 -0.121 0.000 1.211 103 L CA 0.436 54.974 54.840 -0.504 0.000 1.013 103 L CB 0.096 41.797 42.059 -0.596 0.000 1.326 103 L HN 0.656 nan 8.230 nan 0.000 0.525 104 S N -1.117 114.586 115.700 0.005 0.000 2.632 104 S HA 0.331 4.802 4.470 0.001 0.000 0.267 104 S C 0.134 174.766 174.600 0.053 0.000 1.276 104 S CA -0.385 57.762 58.200 -0.088 0.000 0.998 104 S CB 0.803 64.028 63.200 0.041 0.000 0.953 104 S HN 0.122 nan 8.310 nan 0.000 0.547 105 F N 0.140 120.202 119.950 0.187 0.000 2.684 105 F HA 0.502 5.029 4.527 0.001 0.000 0.298 105 F C 1.714 177.527 175.800 0.022 0.000 1.120 105 F CA -0.861 57.188 58.000 0.082 0.000 1.332 105 F CB -0.914 38.108 39.000 0.036 0.000 0.986 105 F HN 0.769 nan 8.300 nan 0.000 0.524 106 A N 0.214 123.135 122.820 0.168 0.000 2.072 106 A HA 0.414 4.735 4.320 0.001 0.000 0.216 106 A C 1.696 179.252 177.584 -0.047 0.000 1.156 106 A CA 0.500 52.600 52.037 0.105 0.000 0.701 106 A CB -0.676 18.431 19.000 0.178 0.000 0.816 106 A HN 0.198 nan 8.150 nan 0.000 0.458 107 A N 1.138 123.770 122.820 -0.313 0.000 2.587 107 A HA 0.380 4.700 4.320 0.001 0.000 0.235 107 A C -2.207 175.212 177.584 -0.275 0.000 1.044 107 A CA -0.479 51.139 52.037 -0.698 0.000 0.754 107 A CB -0.583 17.964 19.000 -0.756 0.000 0.968 107 A HN 0.297 nan 8.150 nan 0.000 0.509 108 P HA 0.129 nan 4.420 nan 0.000 0.272 108 P C 1.103 178.358 177.300 -0.075 0.000 1.223 108 P CA -0.458 62.603 63.100 -0.066 0.000 0.784 108 P CB 0.435 32.134 31.700 -0.002 0.000 0.923 109 L N 1.505 122.704 121.223 -0.040 0.000 2.010 109 L HA -0.267 4.074 4.340 0.001 0.000 0.219 109 L C 1.787 178.607 176.870 -0.083 0.000 1.077 109 L CA 1.967 56.780 54.840 -0.045 0.000 0.773 109 L CB -0.695 41.360 42.059 -0.007 0.000 0.892 109 L HN 0.477 nan 8.230 nan 0.000 0.436 110 K N -0.112 120.275 120.400 -0.022 0.000 2.525 110 K HA -0.032 4.289 4.320 0.001 0.000 0.192 110 K C 0.199 176.763 176.600 -0.060 0.000 1.029 110 K CA 0.483 56.775 56.287 0.008 0.000 1.029 110 K CB 0.112 32.748 32.500 0.227 0.000 0.814 110 K HN 0.391 nan 8.250 nan 0.000 0.503 111 E N -0.526 119.622 120.200 -0.087 0.000 3.575 111 E HA 0.161 4.511 4.350 0.001 0.000 0.201 111 E C 0.291 176.803 176.600 -0.147 0.000 0.999 111 E CA -0.237 56.120 56.400 -0.071 0.000 1.315 111 E CB 1.369 31.075 29.700 0.010 0.000 1.146 111 E HN 0.308 nan 8.360 nan 0.000 0.453 112 G N -0.122 108.581 108.800 -0.162 0.000 2.380 112 G HA2 -0.243 3.718 3.960 0.001 0.000 0.197 112 G HA3 -0.243 3.718 3.960 0.001 0.000 0.197 112 G C 1.105 175.988 174.900 -0.029 0.000 1.001 112 G CA -0.170 44.865 45.100 -0.108 0.000 0.668 112 G HN 0.443 nan 8.290 nan 0.000 0.483 113 G N 0.652 109.399 108.800 -0.089 0.000 2.402 113 G HA2 0.124 4.084 3.960 0.001 0.000 0.216 113 G HA3 0.124 4.084 3.960 0.001 0.000 0.216 113 G C 1.688 176.566 174.900 -0.037 0.000 1.162 113 G CA 1.553 46.618 45.100 -0.057 0.000 0.777 113 G HN 0.504 nan 8.290 nan 0.000 0.539 114 L N -0.687 120.500 121.223 -0.061 0.000 2.093 114 L HA 0.117 4.457 4.340 0.001 0.000 0.208 114 L C 2.304 179.178 176.870 0.006 0.000 1.085 114 L CA 0.874 55.684 54.840 -0.051 0.000 0.755 114 L CB -0.936 41.042 42.059 -0.134 0.000 0.904 114 L HN 0.526 nan 8.230 nan 0.000 0.435 115 W N -0.217 121.006 121.300 -0.128 0.000 2.358 115 W HA -0.217 4.443 4.660 0.001 0.000 0.303 115 W C 2.294 178.815 176.519 0.003 0.000 1.208 115 W CA 1.555 58.900 57.345 -0.001 0.000 1.274 115 W CB -0.130 29.297 29.460 -0.055 0.000 1.138 115 W HN 0.059 nan 8.180 nan 0.000 0.515 116 L N 0.101 121.402 121.223 0.130 0.000 2.046 116 L HA -0.246 4.095 4.340 0.001 0.000 0.208 116 L C 2.396 179.124 176.870 -0.237 0.000 1.077 116 L CA 1.438 56.198 54.840 -0.133 0.000 0.747 116 L CB -0.797 41.191 42.059 -0.119 0.000 0.896 116 L HN 0.041 nan 8.230 nan 0.000 0.432 117 I N -0.274 120.195 120.570 -0.168 0.000 2.179 117 I HA -0.279 3.891 4.170 0.001 0.000 0.242 117 I C 2.829 178.889 176.117 -0.096 0.000 1.088 117 I CA 1.142 62.325 61.300 -0.194 0.000 1.357 117 I CB -0.525 37.419 38.000 -0.093 0.000 1.051 117 I HN 0.194 nan 8.210 nan 0.000 0.409 118 A N 0.278 123.089 122.820 -0.016 0.000 1.917 118 A HA -0.230 4.090 4.320 0.001 0.000 0.219 118 A C 2.476 180.118 177.584 0.096 0.000 1.182 118 A CA 2.417 54.508 52.037 0.089 0.000 0.633 118 A CB -0.788 18.093 19.000 -0.198 0.000 0.819 118 A HN 0.413 nan 8.150 nan 0.000 0.448 119 S N -1.412 114.191 115.700 -0.161 0.000 2.402 119 S HA -0.076 4.394 4.470 0.001 0.000 0.229 119 S C 1.597 176.281 174.600 0.140 0.000 1.021 119 S CA 1.229 59.369 58.200 -0.101 0.000 0.974 119 S CB -0.458 62.380 63.200 -0.603 0.000 0.800 119 S HN 0.634 nan 8.310 nan 0.000 0.484 120 F N 1.864 121.735 119.950 -0.131 0.000 2.084 120 F HA -0.064 4.463 4.527 0.001 0.000 0.296 120 F C 1.647 177.459 175.800 0.020 0.000 1.111 120 F CA 1.218 59.135 58.000 -0.139 0.000 1.224 120 F CB -0.477 38.272 39.000 -0.419 0.000 0.991 120 F HN 0.105 nan 8.300 nan 0.000 0.471 121 F N 0.182 120.186 119.950 0.091 0.000 2.134 121 F HA -0.226 4.301 4.527 0.001 0.000 0.299 121 F C 2.650 178.394 175.800 -0.093 0.000 1.097 121 F CA 1.755 59.754 58.000 -0.001 0.000 1.264 121 F CB -1.164 37.923 39.000 0.144 0.000 1.001 121 F HN 0.084 nan 8.300 nan 0.000 0.479 122 M N -1.195 118.408 119.600 0.005 0.000 2.132 122 M HA -0.219 4.261 4.480 0.001 0.000 0.263 122 M C 2.279 178.578 176.300 -0.003 0.000 1.065 122 M CA 1.629 56.718 55.300 -0.353 0.000 1.122 122 M CB -0.444 31.689 32.600 -0.779 0.000 1.365 122 M HN 0.149 nan 8.290 nan 0.000 0.411 123 F N 0.384 120.404 119.950 0.116 0.000 2.095 123 F HA -0.224 4.304 4.527 0.001 0.000 0.298 123 F C 1.802 177.693 175.800 0.152 0.000 1.104 123 F CA 1.979 60.123 58.000 0.239 0.000 1.232 123 F CB -0.496 38.473 39.000 -0.053 0.000 0.987 123 F HN -0.059 nan 8.300 nan 0.000 0.475 124 V N 0.354 120.295 119.914 0.045 0.000 2.358 124 V HA -0.261 3.859 4.120 0.001 0.000 0.246 124 V C 2.708 178.820 176.094 0.030 0.000 1.047 124 V CA 1.597 63.895 62.300 -0.004 0.000 1.035 124 V CB -1.545 30.224 31.823 -0.091 0.000 0.658 124 V HN 0.490 nan 8.190 nan 0.000 0.452 125 A N 0.073 122.892 122.820 -0.001 0.000 1.865 125 A HA -0.182 4.138 4.320 0.001 0.000 0.217 125 A C 2.410 179.980 177.584 -0.025 0.000 1.191 125 A CA 2.328 54.364 52.037 -0.002 0.000 0.623 125 A CB -0.824 18.123 19.000 -0.089 0.000 0.826 125 A HN 0.319 nan 8.150 nan 0.000 0.444 126 V N -2.260 117.513 119.914 -0.236 0.000 2.261 126 V HA -0.298 3.822 4.120 0.001 0.000 0.246 126 V C 2.298 178.268 176.094 -0.207 0.000 1.047 126 V CA 1.977 64.051 62.300 -0.377 0.000 1.015 126 V CB -1.097 30.085 31.823 -1.067 0.000 0.642 126 V HN 0.789 nan 8.190 nan 0.000 0.446 127 W N 0.688 121.878 121.300 -0.185 0.000 2.402 127 W HA -0.148 4.512 4.660 0.000 0.000 0.286 127 W C 2.933 179.521 176.519 0.115 0.000 1.221 127 W CA 1.446 58.737 57.345 -0.090 0.000 1.257 127 W CB -0.455 28.799 29.460 -0.342 0.000 1.120 127 W HN 0.372 nan 8.180 nan 0.000 0.551 128 S N -0.974 114.897 115.700 0.285 0.000 2.387 128 S HA -0.227 4.244 4.470 0.001 0.000 0.226 128 S C 1.704 176.446 174.600 0.237 0.000 1.026 128 S CA 0.833 59.177 58.200 0.240 0.000 0.972 128 S CB -1.212 62.102 63.200 0.191 0.000 0.814 128 S HN 0.483 nan 8.310 nan 0.000 0.477 129 W N 0.920 122.291 121.300 0.118 0.000 2.388 129 W HA -0.087 4.573 4.660 0.001 0.000 0.294 129 W C 1.909 178.561 176.519 0.222 0.000 1.212 129 W CA 1.001 58.418 57.345 0.120 0.000 1.271 129 W CB -0.501 29.014 29.460 0.092 0.000 1.126 129 W HN 0.523 nan 8.180 nan 0.000 0.535 130 W N 1.657 123.140 121.300 0.304 0.000 2.363 130 W HA -0.089 4.571 4.660 0.000 0.000 0.296 130 W C 2.415 179.006 176.519 0.120 0.000 1.212 130 W CA 3.168 60.666 57.345 0.254 0.000 1.260 130 W CB -0.833 28.576 29.460 -0.086 0.000 1.131 130 W HN -0.119 nan 8.180 nan 0.000 0.530 131 G N 0.370 109.218 108.800 0.080 0.000 2.422 131 G HA2 -0.305 3.656 3.960 0.001 0.000 0.218 131 G HA3 -0.305 3.656 3.960 0.001 0.000 0.218 131 G C 1.617 176.343 174.900 -0.290 0.000 1.146 131 G CA 1.019 46.023 45.100 -0.160 0.000 0.769 131 G HN 0.327 nan 8.290 nan 0.000 0.547 132 R N 0.475 120.800 120.500 -0.292 0.000 2.083 132 R HA -0.130 4.210 4.340 0.001 0.000 0.237 132 R C 2.898 178.905 176.300 -0.488 0.000 1.137 132 R CA 2.240 58.090 56.100 -0.417 0.000 0.951 132 R CB -0.741 29.180 30.300 -0.632 0.000 0.851 132 R HN 0.463 nan 8.270 nan 0.000 0.434 133 T N -1.823 112.409 114.554 -0.535 0.000 2.759 133 T HA -0.237 4.113 4.350 0.001 0.000 0.269 133 T C 1.817 176.243 174.700 -0.457 0.000 1.042 133 T CA 1.387 63.208 62.100 -0.465 0.000 1.140 133 T CB -0.611 68.051 68.868 -0.343 0.000 0.864 133 T HN 0.445 nan 8.240 nan 0.000 0.455 134 Y N 1.907 121.799 120.300 -0.681 0.000 2.153 134 Y HA 0.160 4.710 4.550 0.001 0.000 0.289 134 Y C 2.229 177.856 175.900 -0.455 0.000 1.127 134 Y CA 1.010 58.717 58.100 -0.656 0.000 1.131 134 Y CB -0.428 37.524 38.460 -0.847 0.000 0.995 134 Y HN 0.134 nan 8.280 nan 0.000 0.505 135 L N -0.150 120.990 121.223 -0.138 0.000 2.042 135 L HA -0.257 4.084 4.340 0.001 0.000 0.210 135 L C 2.552 179.244 176.870 -0.296 0.000 1.076 135 L CA 1.294 56.040 54.840 -0.156 0.000 0.749 135 L CB -0.577 41.395 42.059 -0.145 0.000 0.893 135 L HN 0.159 nan 8.230 nan 0.000 0.432 136 R N 0.170 120.446 120.500 -0.373 0.000 2.152 136 R HA -0.096 4.244 4.340 0.001 0.000 0.232 136 R C 2.215 178.308 176.300 -0.345 0.000 1.117 136 R CA 1.377 57.230 56.100 -0.412 0.000 0.981 136 R CB -0.764 29.285 30.300 -0.418 0.000 0.870 136 R HN 0.391 nan 8.270 nan 0.000 0.451 137 A N 0.879 123.480 122.820 -0.365 0.000 1.930 137 A HA -0.150 4.170 4.320 0.001 0.000 0.215 137 A C 2.191 179.578 177.584 -0.327 0.000 1.176 137 A CA 1.010 52.837 52.037 -0.349 0.000 0.632 137 A CB -0.353 18.389 19.000 -0.431 0.000 0.819 137 A HN 0.337 nan 8.150 nan 0.000 0.445 138 Q N -0.296 119.286 119.800 -0.364 0.000 2.084 138 Q HA -0.129 4.211 4.340 0.001 0.000 0.202 138 Q C 2.117 178.004 176.000 -0.189 0.000 0.978 138 Q CA 1.573 57.214 55.803 -0.271 0.000 0.844 138 Q CB -0.345 28.267 28.738 -0.210 0.000 0.898 138 Q HN 0.576 nan 8.270 nan 0.000 0.426 139 A N 0.379 123.078 122.820 -0.203 0.000 2.019 139 A HA -0.105 4.215 4.320 0.001 0.000 0.219 139 A C 1.734 179.229 177.584 -0.148 0.000 1.164 139 A CA 1.023 52.958 52.037 -0.171 0.000 0.644 139 A CB -0.295 18.568 19.000 -0.229 0.000 0.805 139 A HN 0.452 nan 8.150 nan 0.000 0.449 140 L N -1.554 119.569 121.223 -0.167 0.000 2.640 140 L HA 0.276 4.617 4.340 0.001 0.000 0.230 140 L C 1.577 178.376 176.870 -0.119 0.000 1.123 140 L CA 0.442 55.202 54.840 -0.135 0.000 0.900 140 L CB 0.101 42.073 42.059 -0.146 0.000 1.146 140 L HN 0.513 nan 8.230 nan 0.000 0.484 141 G N 0.247 108.972 108.800 -0.126 0.000 2.155 141 G HA2 -0.323 3.637 3.960 0.001 0.000 0.257 141 G HA3 -0.323 3.637 3.960 0.001 0.000 0.257 141 G C 0.341 175.173 174.900 -0.113 0.000 0.983 141 G CA 0.293 45.329 45.100 -0.106 0.000 0.676 141 G HN 0.279 nan 8.290 nan 0.000 0.528 142 M N 0.459 119.972 119.600 -0.145 0.000 2.227 142 M HA 0.505 4.986 4.480 0.001 0.000 0.316 142 M C 1.460 177.673 176.300 -0.146 0.000 1.144 142 M CA 0.258 55.474 55.300 -0.139 0.000 1.121 142 M CB 0.502 33.007 32.600 -0.158 0.000 1.440 142 M HN 0.213 nan 8.290 nan 0.000 0.473 143 G N 0.519 109.278 108.800 -0.068 0.000 2.667 143 G HA2 0.160 4.120 3.960 0.001 0.000 0.250 143 G HA3 0.160 4.120 3.960 0.001 0.000 0.250 143 G C 0.189 175.030 174.900 -0.098 0.000 1.212 143 G CA -0.597 44.520 45.100 0.029 0.000 0.874 143 G HN 0.625 nan 8.290 nan 0.000 0.561 144 K N -0.030 120.203 120.400 -0.279 0.000 2.500 144 K HA 0.099 4.419 4.320 0.001 0.000 0.206 144 K C 1.295 177.494 176.600 -0.669 0.000 1.034 144 K CA -0.148 55.731 56.287 -0.680 0.000 1.179 144 K CB -0.069 31.758 32.500 -1.122 0.000 0.884 144 K HN 0.585 nan 8.250 nan 0.000 0.493 145 H N 0.165 119.061 119.070 -0.290 0.000 2.422 145 H HA -0.083 4.474 4.556 0.001 0.000 0.298 145 H C 1.635 176.903 175.328 -0.101 0.000 1.098 145 H CA 1.825 57.815 56.048 -0.097 0.000 1.315 145 H CB -0.183 29.548 29.762 -0.051 0.000 1.382 145 H HN 0.090 nan 8.280 nan 0.000 0.523 146 T N -0.123 114.397 114.554 -0.057 0.000 2.812 146 T HA -0.043 4.307 4.350 0.001 0.000 0.264 146 T C 2.371 177.071 174.700 -0.001 0.000 1.042 146 T CA 1.044 63.114 62.100 -0.051 0.000 1.140 146 T CB -0.376 68.418 68.868 -0.124 0.000 0.870 146 T HN 0.513 nan 8.240 nan 0.000 0.445 147 A N 0.602 123.320 122.820 -0.170 0.000 1.898 147 A HA -0.064 4.256 4.320 0.001 0.000 0.216 147 A C 2.140 179.986 177.584 0.436 0.000 1.181 147 A CA 1.122 53.120 52.037 -0.065 0.000 0.620 147 A CB -1.133 17.544 19.000 -0.538 0.000 0.819 147 A HN 0.723 nan 8.150 nan 0.000 0.442 148 W N -0.422 121.027 121.300 0.249 0.000 2.355 148 W HA -0.090 4.571 4.660 0.001 0.000 0.309 148 W C 2.773 179.356 176.519 0.107 0.000 1.206 148 W CA 0.560 58.008 57.345 0.172 0.000 1.284 148 W CB -0.109 29.352 29.460 0.002 0.000 1.145 148 W HN 0.409 nan 8.180 nan 0.000 0.502 149 A N 0.010 123.013 122.820 0.304 0.000 1.933 149 A HA -0.232 4.089 4.320 0.001 0.000 0.218 149 A C 1.727 179.482 177.584 0.285 0.000 1.175 149 A CA 1.290 53.428 52.037 0.168 0.000 0.628 149 A CB -1.111 17.940 19.000 0.084 0.000 0.814 149 A HN 0.349 nan 8.150 nan 0.000 0.444 150 F N 0.505 120.563 119.950 0.181 0.000 2.216 150 F HA -0.063 4.464 4.527 0.001 0.000 0.300 150 F C 1.827 177.742 175.800 0.191 0.000 1.085 150 F CA 0.748 58.866 58.000 0.196 0.000 1.326 150 F CB -0.582 38.577 39.000 0.265 0.000 1.027 150 F HN 0.152 nan 8.300 nan 0.000 0.497 151 L N -0.851 120.516 121.223 0.241 0.000 2.079 151 L HA -0.256 4.084 4.340 0.001 0.000 0.210 151 L C 2.752 179.647 176.870 0.043 0.000 1.081 151 L CA 1.652 56.478 54.840 -0.023 0.000 0.752 151 L CB -0.780 41.344 42.059 0.107 0.000 0.896 151 L HN 0.208 nan 8.230 nan 0.000 0.433 152 S N -0.526 115.243 115.700 0.115 0.000 2.368 152 S HA -0.198 4.272 4.470 0.001 0.000 0.225 152 S C 2.050 176.783 174.600 0.222 0.000 1.030 152 S CA 1.329 59.615 58.200 0.143 0.000 0.999 152 S CB -0.032 63.218 63.200 0.084 0.000 0.844 152 S HN 0.488 nan 8.310 nan 0.000 0.459 153 A N 1.041 123.975 122.820 0.189 0.000 1.929 153 A HA 0.109 4.429 4.320 0.001 0.000 0.216 153 A C 2.098 179.770 177.584 0.147 0.000 1.176 153 A CA 1.193 53.346 52.037 0.193 0.000 0.628 153 A CB -0.671 18.482 19.000 0.255 0.000 0.816 153 A HN 0.611 nan 8.150 nan 0.000 0.444 154 I N -1.244 119.320 120.570 -0.011 0.000 2.286 154 I HA -0.290 3.881 4.170 0.001 0.000 0.248 154 I C 2.468 178.718 176.117 0.222 0.000 1.115 154 I CA 1.351 62.618 61.300 -0.055 0.000 1.392 154 I CB -0.305 37.336 38.000 -0.598 0.000 1.065 154 I HN 0.760 nan 8.210 nan 0.000 0.418 155 W N 1.710 123.017 121.300 0.012 0.000 2.317 155 W HA -0.284 4.377 4.660 0.001 0.000 0.318 155 W C 2.256 178.826 176.519 0.085 0.000 1.227 155 W CA 1.476 58.849 57.345 0.048 0.000 1.269 155 W CB -0.408 29.067 29.460 0.024 0.000 1.155 155 W HN 0.134 nan 8.180 nan 0.000 0.484 156 L N 0.291 121.509 121.223 -0.010 0.000 2.017 156 L HA -0.236 4.105 4.340 0.001 0.000 0.208 156 L C 2.506 179.353 176.870 -0.038 0.000 1.073 156 L CA 2.578 57.331 54.840 -0.146 0.000 0.745 156 L CB -1.166 40.915 42.059 0.036 0.000 0.894 156 L HN 0.235 nan 8.230 nan 0.000 0.432 157 W N 0.428 121.688 121.300 -0.067 0.000 2.335 157 W HA -0.274 4.387 4.660 0.000 0.000 0.311 157 W C 2.391 178.956 176.519 0.076 0.000 1.213 157 W CA 1.410 58.748 57.345 -0.012 0.000 1.274 157 W CB -0.256 29.189 29.460 -0.026 0.000 1.148 157 W HN 0.061 nan 8.180 nan 0.000 0.498 158 M N 0.129 119.623 119.600 -0.177 0.000 2.117 158 M HA -0.172 4.309 4.480 0.001 0.000 0.262 158 M C 1.960 178.170 176.300 -0.150 0.000 1.065 158 M CA 1.455 56.606 55.300 -0.249 0.000 1.114 158 M CB -1.638 30.960 32.600 -0.004 0.000 1.361 158 M HN -0.022 nan 8.290 nan 0.000 0.408 159 V N 0.494 120.229 119.914 -0.298 0.000 2.343 159 V HA -0.262 3.859 4.120 0.001 0.000 0.247 159 V C 2.507 178.501 176.094 -0.166 0.000 1.051 159 V CA 1.428 63.529 62.300 -0.332 0.000 1.036 159 V CB -0.618 30.830 31.823 -0.626 0.000 0.654 159 V HN 0.389 nan 8.190 nan 0.000 0.451 160 L N 0.125 121.251 121.223 -0.162 0.000 2.027 160 L HA -0.050 4.290 4.340 0.001 0.000 0.206 160 L C 2.295 179.085 176.870 -0.134 0.000 1.074 160 L CA 1.858 56.629 54.840 -0.115 0.000 0.745 160 L CB -0.714 41.268 42.059 -0.129 0.000 0.898 160 L HN 0.478 nan 8.230 nan 0.000 0.433 161 G N -2.756 105.904 108.800 -0.233 0.000 3.126 161 G HA2 0.118 4.078 3.960 0.001 0.000 0.224 161 G HA3 0.118 4.078 3.960 0.001 0.000 0.224 161 G C 0.707 175.236 174.900 -0.618 0.000 1.142 161 G CA -0.056 44.805 45.100 -0.397 0.000 0.759 161 G HN 0.209 nan 8.290 nan 0.000 0.550 162 F N -0.682 119.278 119.950 0.015 0.000 1.901 162 F HA 0.343 4.870 4.527 0.001 0.000 0.239 162 F C 2.212 178.053 175.800 0.069 0.000 1.133 162 F CA -0.307 57.773 58.000 0.133 0.000 1.271 162 F CB -0.198 38.818 39.000 0.027 0.000 1.652 162 F HN -0.090 nan 8.300 nan 0.000 0.543 163 I N 0.861 121.551 120.570 0.201 0.000 2.127 163 I HA -0.312 3.858 4.170 0.001 0.000 0.241 163 I C 2.580 178.719 176.117 0.038 0.000 1.075 163 I CA 1.854 63.208 61.300 0.089 0.000 1.334 163 I CB -0.471 37.547 38.000 0.029 0.000 1.040 163 I HN 0.161 nan 8.210 nan 0.000 0.405 164 R N 0.962 121.473 120.500 0.020 0.000 2.066 164 R HA -0.123 4.217 4.340 0.001 0.000 0.232 164 R C -0.393 175.927 176.300 0.034 0.000 1.131 164 R CA 1.591 57.712 56.100 0.035 0.000 0.955 164 R CB -1.062 29.280 30.300 0.070 0.000 0.851 164 R HN 0.200 nan 8.270 nan 0.000 0.432 165 P HA -0.152 nan 4.420 nan 0.000 0.215 165 P C 1.089 178.287 177.300 -0.171 0.000 1.153 165 P CA 1.393 64.482 63.100 -0.018 0.000 0.853 165 P CB -0.014 31.730 31.700 0.073 0.000 0.788 166 I N -1.452 119.014 120.570 -0.172 0.000 2.226 166 I HA -0.222 3.948 4.170 0.001 0.000 0.245 166 I C 2.199 178.232 176.117 -0.140 0.000 1.100 166 I CA 1.352 62.515 61.300 -0.229 0.000 1.374 166 I CB -0.541 37.392 38.000 -0.112 0.000 1.057 166 I HN -0.097 nan 8.210 nan 0.000 0.413 167 L N -0.437 120.746 121.223 -0.067 0.000 2.141 167 L HA -0.179 4.161 4.340 0.001 0.000 0.209 167 L C 2.447 179.287 176.870 -0.049 0.000 1.094 167 L CA 0.823 55.638 54.840 -0.042 0.000 0.763 167 L CB -0.371 41.684 42.059 -0.007 0.000 0.908 167 L HN 0.306 nan 8.230 nan 0.000 0.437 168 M N -0.887 118.683 119.600 -0.051 0.000 2.492 168 M HA 0.080 4.560 4.480 0.001 0.000 0.262 168 M C 1.677 177.926 176.300 -0.085 0.000 1.090 168 M CA 1.169 56.442 55.300 -0.045 0.000 1.110 168 M CB -0.746 31.848 32.600 -0.011 0.000 1.407 168 M HN 0.432 nan 8.290 nan 0.000 0.470 169 G N 1.193 109.910 108.800 -0.139 0.000 2.176 169 G HA2 -0.201 3.760 3.960 0.001 0.000 0.232 169 G HA3 -0.201 3.760 3.960 0.001 0.000 0.232 169 G C 0.194 174.956 174.900 -0.230 0.000 0.986 169 G CA 0.451 45.447 45.100 -0.173 0.000 0.643 169 G HN 0.697 nan 8.290 nan 0.000 0.522 170 S N -2.054 113.493 115.700 -0.255 0.000 2.535 170 S HA 0.503 4.974 4.470 0.001 0.000 0.272 170 S C 0.361 174.819 174.600 -0.238 0.000 1.149 170 S CA -0.009 58.029 58.200 -0.269 0.000 0.888 170 S CB 0.461 63.596 63.200 -0.110 0.000 1.110 170 S HN 0.441 nan 8.310 nan 0.000 0.463 171 W N 1.781 123.061 121.300 -0.034 0.000 2.421 171 W HA -0.067 4.594 4.660 0.001 0.000 0.270 171 W C 2.671 179.033 176.519 -0.262 0.000 1.233 171 W CA 0.907 58.180 57.345 -0.120 0.000 1.226 171 W CB -0.138 29.259 29.460 -0.106 0.000 1.121 171 W HN 0.945 nan 8.180 nan 0.000 0.579 172 S N -0.018 115.693 115.700 0.020 0.000 2.493 172 S HA -0.184 4.287 4.470 0.001 0.000 0.243 172 S C 1.393 176.013 174.600 0.034 0.000 0.991 172 S CA 1.195 59.376 58.200 -0.032 0.000 0.957 172 S CB -0.284 62.921 63.200 0.009 0.000 0.756 172 S HN 0.261 nan 8.310 nan 0.000 0.521 173 E N 1.446 121.691 120.200 0.075 0.000 2.435 173 E HA 0.321 4.671 4.350 0.001 0.000 0.195 173 E C 1.101 177.887 176.600 0.310 0.000 1.029 173 E CA 0.510 57.028 56.400 0.197 0.000 0.865 173 E CB -0.194 29.595 29.700 0.147 0.000 0.833 173 E HN 0.731 nan 8.360 nan 0.000 0.510 174 A N 0.948 123.840 122.820 0.121 0.000 2.280 174 A HA 0.324 4.645 4.320 0.001 0.000 0.268 174 A C 0.363 177.825 177.584 -0.203 0.000 1.111 174 A CA -0.452 51.601 52.037 0.026 0.000 0.814 174 A CB 0.562 19.631 19.000 0.115 0.000 1.093 174 A HN -0.041 nan 8.150 nan 0.000 0.498 175 V N 2.212 121.844 119.914 -0.469 0.000 2.546 175 V HA 0.348 4.469 4.120 0.001 0.000 0.284 175 V C -1.890 174.002 176.094 -0.337 0.000 1.050 175 V CA -1.153 60.644 62.300 -0.838 0.000 0.981 175 V CB 0.954 32.229 31.823 -0.913 0.000 0.990 175 V HN 0.857 nan 8.190 nan 0.000 0.474 176 P HA 0.242 nan 4.420 nan 0.000 0.276 176 P C -1.454 175.817 177.300 -0.048 0.000 1.244 176 P CA -0.463 62.626 63.100 -0.018 0.000 0.801 176 P CB 0.629 32.382 31.700 0.088 0.000 1.006 177 Y N 0.455 120.955 120.300 0.334 0.000 2.535 177 Y HA 0.573 5.124 4.550 0.001 0.000 0.349 177 Y C 1.283 177.370 175.900 0.312 0.000 0.992 177 Y CA 0.447 58.689 58.100 0.236 0.000 1.248 177 Y CB 0.384 38.926 38.460 0.136 0.000 1.124 177 Y HN 0.552 nan 8.280 nan 0.000 0.520 178 G N 2.246 111.267 108.800 0.369 0.000 2.691 178 G HA2 0.304 4.265 3.960 0.001 0.000 0.298 178 G HA3 0.304 4.265 3.960 0.001 0.000 0.298 178 G C -0.032 175.055 174.900 0.312 0.000 1.471 178 G CA -0.782 44.549 45.100 0.386 0.000 0.912 178 G HN 0.253 nan 8.290 nan 0.000 0.553 179 I N 1.091 121.804 120.570 0.238 0.000 2.076 179 I HA -0.066 4.105 4.170 0.001 0.000 0.237 179 I C 2.433 178.797 176.117 0.411 0.000 1.059 179 I CA 1.560 63.006 61.300 0.243 0.000 1.317 179 I CB -0.985 37.036 38.000 0.035 0.000 1.037 179 I HN 0.460 nan 8.210 nan 0.000 0.398 180 F N 1.548 121.568 119.950 0.117 0.000 2.234 180 F HA -0.076 4.452 4.527 0.001 0.000 0.296 180 F C 2.970 178.815 175.800 0.075 0.000 1.089 180 F CA 0.943 58.942 58.000 -0.003 0.000 1.343 180 F CB -1.601 37.261 39.000 -0.231 0.000 1.040 180 F HN 0.177 nan 8.300 nan 0.000 0.498 181 S N 0.259 116.155 115.700 0.328 0.000 2.370 181 S HA -0.267 4.203 4.470 0.001 0.000 0.226 181 S C 2.108 176.909 174.600 0.334 0.000 1.033 181 S CA 1.667 60.039 58.200 0.287 0.000 1.011 181 S CB -1.273 62.087 63.200 0.266 0.000 0.852 181 S HN 0.641 nan 8.310 nan 0.000 0.457 182 H N 1.878 121.081 119.070 0.222 0.000 2.524 182 H HA 0.180 4.736 4.556 0.001 0.000 0.282 182 H C 1.850 177.341 175.328 0.272 0.000 1.016 182 H CA 1.075 57.251 56.048 0.215 0.000 1.270 182 H CB -0.504 29.335 29.762 0.129 0.000 1.394 182 H HN 0.453 nan 8.280 nan 0.000 0.568 183 L N 0.592 121.763 121.223 -0.087 0.000 2.095 183 L HA -0.094 4.247 4.340 0.001 0.000 0.204 183 L C 2.265 179.160 176.870 0.041 0.000 1.080 183 L CA 1.052 55.818 54.840 -0.125 0.000 0.759 183 L CB -0.295 41.717 42.059 -0.079 0.000 0.914 183 L HN 0.116 nan 8.230 nan 0.000 0.439 184 D N -0.347 120.113 120.400 0.099 0.000 2.123 184 D HA -0.257 4.383 4.640 0.001 0.000 0.196 184 D C 1.770 178.161 176.300 0.152 0.000 0.992 184 D CA 1.335 55.393 54.000 0.097 0.000 0.833 184 D CB -0.271 40.597 40.800 0.113 0.000 0.954 184 D HN 0.427 nan 8.370 nan 0.000 0.455 185 W N 1.773 123.109 121.300 0.060 0.000 2.358 185 W HA -0.211 4.449 4.660 0.001 0.000 0.303 185 W C 2.248 178.830 176.519 0.106 0.000 1.208 185 W CA 2.122 59.524 57.345 0.095 0.000 1.274 185 W CB -0.325 29.205 29.460 0.118 0.000 1.138 185 W HN -0.152 nan 8.180 nan 0.000 0.515 186 T N 0.330 115.105 114.554 0.368 0.000 2.746 186 T HA -0.272 4.078 4.350 0.001 0.000 0.267 186 T C 1.434 176.133 174.700 -0.001 0.000 1.039 186 T CA 1.741 63.951 62.100 0.183 0.000 1.142 186 T CB -0.667 68.299 68.868 0.163 0.000 0.866 186 T HN 0.242 nan 8.240 nan 0.000 0.444 187 N N 1.648 120.346 118.700 -0.004 0.000 2.084 187 N HA -0.116 4.625 4.740 0.001 0.000 0.190 187 N C 1.709 177.181 175.510 -0.062 0.000 1.030 187 N CA 1.587 54.612 53.050 -0.041 0.000 0.849 187 N CB -0.553 37.913 38.487 -0.036 0.000 1.012 187 N HN 0.266 nan 8.380 nan 0.000 0.423 188 N N -0.756 117.895 118.700 -0.082 0.000 2.166 188 N HA -0.153 4.588 4.740 0.001 0.000 0.186 188 N C 1.515 176.928 175.510 -0.161 0.000 1.019 188 N CA 0.982 53.958 53.050 -0.123 0.000 0.856 188 N CB -0.522 37.883 38.487 -0.137 0.000 0.993 188 N HN 0.310 nan 8.380 nan 0.000 0.426 189 F N 0.417 120.112 119.950 -0.426 0.000 2.161 189 F HA -0.123 4.404 4.527 0.001 0.000 0.300 189 F C 2.669 178.413 175.800 -0.093 0.000 1.089 189 F CA 1.532 59.296 58.000 -0.394 0.000 1.282 189 F CB -0.792 37.739 39.000 -0.782 0.000 1.010 189 F HN 0.055 nan 8.300 nan 0.000 0.485 190 S N -0.214 115.551 115.700 0.108 0.000 2.371 190 S HA -0.116 4.354 4.470 0.001 0.000 0.224 190 S C 2.018 176.620 174.600 0.004 0.000 1.029 190 S CA 1.061 59.289 58.200 0.047 0.000 0.978 190 S CB -0.509 62.632 63.200 -0.099 0.000 0.833 190 S HN 0.251 nan 8.310 nan 0.000 0.466 191 L N 1.731 122.927 121.223 -0.046 0.000 1.989 191 L HA -0.047 4.293 4.340 0.001 0.000 0.211 191 L C 2.528 179.346 176.870 -0.087 0.000 1.071 191 L CA 1.571 56.377 54.840 -0.057 0.000 0.749 191 L CB -1.317 40.699 42.059 -0.071 0.000 0.890 191 L HN 0.196 nan 8.230 nan 0.000 0.431 192 V N -1.241 118.575 119.914 -0.163 0.000 2.720 192 V HA -0.259 3.862 4.120 0.001 0.000 0.256 192 V C 1.295 177.115 176.094 -0.457 0.000 1.082 192 V CA 1.466 63.580 62.300 -0.311 0.000 1.101 192 V CB -0.911 30.662 31.823 -0.416 0.000 0.693 192 V HN 0.558 nan 8.190 nan 0.000 0.479 193 H N -0.578 118.375 119.070 -0.195 0.000 2.487 193 H HA 0.460 5.017 4.556 0.001 0.000 0.290 193 H C 1.436 176.812 175.328 0.081 0.000 1.081 193 H CA 0.346 56.328 56.048 -0.108 0.000 1.116 193 H CB 0.086 29.778 29.762 -0.117 0.000 1.560 193 H HN 0.357 nan 8.280 nan 0.000 0.548 194 G N 1.891 110.764 108.800 0.121 0.000 2.246 194 G HA2 -0.359 3.601 3.960 0.001 0.000 0.273 194 G HA3 -0.359 3.601 3.960 0.001 0.000 0.273 194 G C -0.386 174.723 174.900 0.349 0.000 1.055 194 G CA 0.231 45.455 45.100 0.206 0.000 0.851 194 G HN 0.660 nan 8.290 nan 0.000 0.500 195 N N -1.759 117.083 118.700 0.236 0.000 2.883 195 N HA -0.146 4.594 4.740 0.001 0.000 0.277 195 N C 1.034 176.633 175.510 0.149 0.000 1.707 195 N CA 0.807 53.956 53.050 0.166 0.000 1.494 195 N CB -1.035 37.620 38.487 0.280 0.000 0.821 195 N HN 0.476 nan 8.380 nan 0.000 0.482 196 L N 2.780 123.923 121.223 -0.133 0.000 2.353 196 L HA -0.112 4.228 4.340 0.001 0.000 0.220 196 L C 1.680 178.372 176.870 -0.297 0.000 1.133 196 L CA 0.789 55.428 54.840 -0.336 0.000 0.798 196 L CB -0.336 41.310 42.059 -0.688 0.000 0.922 196 L HN 0.444 nan 8.230 nan 0.000 0.445 197 F N -0.987 118.840 119.950 -0.206 0.000 2.307 197 F HA -0.210 4.318 4.527 0.001 0.000 0.301 197 F C 1.858 177.554 175.800 -0.173 0.000 1.076 197 F CA 0.856 58.758 58.000 -0.163 0.000 1.383 197 F CB -0.776 38.064 39.000 -0.267 0.000 1.055 197 F HN 0.093 nan 8.300 nan 0.000 0.526 198 Y N -1.300 119.163 120.300 0.272 0.000 2.466 198 Y HA 0.082 4.633 4.550 0.000 0.000 0.272 198 Y C 1.101 177.094 175.900 0.155 0.000 1.169 198 Y CA -0.474 57.804 58.100 0.298 0.000 1.285 198 Y CB -0.612 38.115 38.460 0.445 0.000 1.078 198 Y HN -0.148 nan 8.280 nan 0.000 0.523 199 N N 2.766 121.382 118.700 -0.139 0.000 2.411 199 N HA 0.030 4.771 4.740 0.001 0.000 0.259 199 N C -1.746 173.528 175.510 -0.393 0.000 1.103 199 N CA -1.774 50.728 53.050 -0.913 0.000 0.954 199 N CB 1.325 38.964 38.487 -1.414 0.000 1.085 199 N HN 0.029 nan 8.380 nan 0.000 0.485 200 P HA -0.138 nan 4.420 nan 0.000 0.216 200 P C 1.143 178.275 177.300 -0.280 0.000 1.150 200 P CA 1.264 64.232 63.100 -0.220 0.000 0.837 200 P CB 0.003 31.568 31.700 -0.226 0.000 0.786 201 F N -0.827 119.002 119.950 -0.201 0.000 2.407 201 F HA -0.100 4.427 4.527 0.001 0.000 0.299 201 F C 2.828 178.603 175.800 -0.043 0.000 1.097 201 F CA 1.032 58.984 58.000 -0.080 0.000 1.422 201 F CB -1.159 37.799 39.000 -0.071 0.000 1.067 201 F HN 0.108 nan 8.300 nan 0.000 0.539 202 H N -0.310 118.726 119.070 -0.056 0.000 2.395 202 H HA -0.045 4.511 4.556 0.001 0.000 0.299 202 H C 2.370 177.685 175.328 -0.023 0.000 1.070 202 H CA 1.364 57.384 56.048 -0.047 0.000 1.356 202 H CB -0.303 29.388 29.762 -0.119 0.000 1.401 202 H HN 0.321 nan 8.280 nan 0.000 0.524 203 G N 1.023 109.813 108.800 -0.016 0.000 2.408 203 G HA2 -0.161 3.799 3.960 0.001 0.000 0.217 203 G HA3 -0.161 3.799 3.960 0.001 0.000 0.217 203 G C 1.992 176.803 174.900 -0.149 0.000 1.150 203 G CA 0.447 45.499 45.100 -0.080 0.000 0.776 203 G HN 0.319 nan 8.290 nan 0.000 0.542 204 L N 0.455 121.618 121.223 -0.100 0.000 2.027 204 L HA -0.072 4.269 4.340 0.001 0.000 0.206 204 L C 3.101 179.954 176.870 -0.027 0.000 1.074 204 L CA 1.273 56.055 54.840 -0.096 0.000 0.745 204 L CB -0.475 41.623 42.059 0.065 0.000 0.898 204 L HN 0.333 nan 8.230 nan 0.000 0.433 205 S N 0.144 115.890 115.700 0.077 0.000 2.387 205 S HA -0.195 4.275 4.470 0.001 0.000 0.230 205 S C 1.946 176.510 174.600 -0.060 0.000 1.035 205 S CA 1.335 59.604 58.200 0.115 0.000 1.014 205 S CB -0.250 62.973 63.200 0.039 0.000 0.836 205 S HN 0.294 nan 8.310 nan 0.000 0.466 206 I N 1.198 121.602 120.570 -0.277 0.000 2.315 206 I HA -0.129 4.042 4.170 0.001 0.000 0.248 206 I C 2.738 178.549 176.117 -0.510 0.000 1.117 206 I CA 0.980 61.988 61.300 -0.487 0.000 1.404 206 I CB -0.530 37.127 38.000 -0.573 0.000 1.071 206 I HN 0.369 nan 8.210 nan 0.000 0.419 207 A N 0.825 123.421 122.820 -0.374 0.000 1.940 207 A HA -0.207 4.113 4.320 0.001 0.000 0.219 207 A C 1.973 179.395 177.584 -0.270 0.000 1.176 207 A CA 1.668 53.499 52.037 -0.343 0.000 0.631 207 A CB -0.824 17.881 19.000 -0.492 0.000 0.814 207 A HN 0.353 nan 8.150 nan 0.000 0.446 208 F N -1.130 118.824 119.950 0.006 0.000 2.367 208 F HA 0.043 4.570 4.527 0.000 0.000 0.298 208 F C 1.913 177.755 175.800 0.071 0.000 1.094 208 F CA 0.711 58.750 58.000 0.066 0.000 1.409 208 F CB -0.518 38.534 39.000 0.087 0.000 1.064 208 F HN 0.236 nan 8.300 nan 0.000 0.528 209 L N -0.928 120.390 121.223 0.158 0.000 2.027 209 L HA -0.192 4.149 4.340 0.001 0.000 0.206 209 L C 2.203 179.210 176.870 0.228 0.000 1.074 209 L CA 1.908 56.833 54.840 0.140 0.000 0.745 209 L CB -1.059 41.016 42.059 0.026 0.000 0.898 209 L HN 0.030 nan 8.230 nan 0.000 0.433 210 Y N 0.236 120.583 120.300 0.078 0.000 2.145 210 Y HA -0.039 4.511 4.550 0.001 0.000 0.286 210 Y C 2.592 178.539 175.900 0.077 0.000 1.145 210 Y CA 0.859 58.995 58.100 0.060 0.000 1.148 210 Y CB -1.586 36.886 38.460 0.020 0.000 0.981 210 Y HN 0.260 nan 8.280 nan 0.000 0.507 211 G N -1.392 107.560 108.800 0.254 0.000 2.448 211 G HA2 -0.199 3.762 3.960 0.001 0.000 0.219 211 G HA3 -0.199 3.762 3.960 0.001 0.000 0.219 211 G C 1.914 176.935 174.900 0.203 0.000 1.127 211 G CA 1.177 46.396 45.100 0.199 0.000 0.766 211 G HN 0.381 nan 8.290 nan 0.000 0.552 212 S N 0.707 116.544 115.700 0.229 0.000 2.387 212 S HA 0.099 4.569 4.470 0.001 0.000 0.226 212 S C 2.737 177.471 174.600 0.224 0.000 1.026 212 S CA 0.946 59.270 58.200 0.206 0.000 0.972 212 S CB -0.181 63.142 63.200 0.205 0.000 0.814 212 S HN 0.551 nan 8.310 nan 0.000 0.477 213 A N 1.278 124.229 122.820 0.219 0.000 1.968 213 A HA 0.050 4.370 4.320 0.001 0.000 0.217 213 A C 2.072 179.757 177.584 0.168 0.000 1.169 213 A CA 1.023 53.180 52.037 0.200 0.000 0.638 213 A CB -0.544 18.554 19.000 0.164 0.000 0.812 213 A HN 0.431 nan 8.150 nan 0.000 0.446 214 L N -0.764 120.545 121.223 0.143 0.000 2.027 214 L HA -0.060 4.280 4.340 0.001 0.000 0.206 214 L C 2.161 179.085 176.870 0.089 0.000 1.074 214 L CA 2.076 56.977 54.840 0.100 0.000 0.745 214 L CB -0.649 41.459 42.059 0.080 0.000 0.898 214 L HN 0.278 nan 8.230 nan 0.000 0.433 215 L N -1.510 119.765 121.223 0.088 0.000 2.093 215 L HA -0.118 4.223 4.340 0.001 0.000 0.208 215 L C 2.241 179.200 176.870 0.148 0.000 1.085 215 L CA 1.591 56.452 54.840 0.034 0.000 0.755 215 L CB -0.847 41.215 42.059 0.005 0.000 0.904 215 L HN 0.299 nan 8.230 nan 0.000 0.435 216 F N 0.088 120.077 119.950 0.064 0.000 2.259 216 F HA 0.014 4.542 4.527 0.001 0.000 0.298 216 F C 2.383 178.228 175.800 0.074 0.000 1.088 216 F CA 0.633 58.689 58.000 0.092 0.000 1.358 216 F CB -0.945 38.111 39.000 0.094 0.000 1.040 216 F HN 0.183 nan 8.300 nan 0.000 0.505 217 A N -0.054 122.919 122.820 0.255 0.000 1.902 217 A HA -0.217 4.104 4.320 0.001 0.000 0.217 217 A C 2.345 180.015 177.584 0.144 0.000 1.181 217 A CA 1.796 53.910 52.037 0.127 0.000 0.623 217 A CB -0.689 18.369 19.000 0.097 0.000 0.818 217 A HN 0.373 nan 8.150 nan 0.000 0.443 218 M N -1.972 117.725 119.600 0.162 0.000 2.059 218 M HA -0.170 4.311 4.480 0.001 0.000 0.259 218 M C 2.341 178.763 176.300 0.204 0.000 1.072 218 M CA 2.169 57.576 55.300 0.179 0.000 1.117 218 M CB -0.530 32.036 32.600 -0.058 0.000 1.320 218 M HN 0.693 nan 8.290 nan 0.000 0.408 219 H N -0.135 118.981 119.070 0.076 0.000 2.326 219 H HA -0.040 4.516 4.556 0.001 0.000 0.301 219 H C 1.941 177.357 175.328 0.146 0.000 1.081 219 H CA 2.116 58.211 56.048 0.078 0.000 1.334 219 H CB -0.664 29.108 29.762 0.017 0.000 1.385 219 H HN 0.337 nan 8.280 nan 0.000 0.504 220 G N -0.098 108.785 108.800 0.139 0.000 2.440 220 G HA2 -0.274 3.687 3.960 0.001 0.000 0.218 220 G HA3 -0.274 3.687 3.960 0.001 0.000 0.218 220 G C 1.903 176.745 174.900 -0.097 0.000 1.154 220 G CA 1.094 46.172 45.100 -0.036 0.000 0.767 220 G HN 0.617 nan 8.290 nan 0.000 0.552 221 A N 0.054 122.848 122.820 -0.043 0.000 1.969 221 A HA 0.049 4.370 4.320 0.001 0.000 0.218 221 A C 2.525 180.045 177.584 -0.106 0.000 1.169 221 A CA 2.319 54.310 52.037 -0.075 0.000 0.635 221 A CB -0.735 18.238 19.000 -0.044 0.000 0.810 221 A HN 0.302 nan 8.150 nan 0.000 0.445 222 T N 0.599 115.119 114.554 -0.057 0.000 2.701 222 T HA -0.094 4.257 4.350 0.001 0.000 0.263 222 T C 1.809 176.460 174.700 -0.082 0.000 1.040 222 T CA 1.405 63.470 62.100 -0.059 0.000 1.147 222 T CB -0.277 68.673 68.868 0.137 0.000 0.865 222 T HN 0.285 nan 8.240 nan 0.000 0.426 223 I N 1.369 121.857 120.570 -0.136 0.000 2.163 223 I HA -0.102 4.068 4.170 0.001 0.000 0.243 223 I C 2.384 178.447 176.117 -0.090 0.000 1.085 223 I CA 1.317 62.547 61.300 -0.116 0.000 1.347 223 I CB -1.341 36.541 38.000 -0.196 0.000 1.044 223 I HN 0.272 nan 8.210 nan 0.000 0.408 224 L N 0.455 121.606 121.223 -0.121 0.000 2.131 224 L HA -0.170 4.171 4.340 0.001 0.000 0.210 224 L C 2.670 179.468 176.870 -0.120 0.000 1.092 224 L CA 1.220 55.984 54.840 -0.127 0.000 0.759 224 L CB -0.661 41.305 42.059 -0.155 0.000 0.903 224 L HN 0.198 nan 8.230 nan 0.000 0.435 225 A N -0.118 122.632 122.820 -0.116 0.000 2.015 225 A HA -0.073 4.247 4.320 0.001 0.000 0.219 225 A C 1.796 179.361 177.584 -0.032 0.000 1.163 225 A CA 1.514 53.486 52.037 -0.107 0.000 0.646 225 A CB -0.367 18.532 19.000 -0.168 0.000 0.806 225 A HN 0.347 nan 8.150 nan 0.000 0.448 226 V N -2.128 117.798 119.914 0.020 0.000 3.214 226 V HA 0.173 4.293 4.120 0.001 0.000 0.330 226 V C 1.360 177.510 176.094 0.094 0.000 1.403 226 V CA 0.742 63.155 62.300 0.189 0.000 1.143 226 V CB -0.666 31.309 31.823 0.254 0.000 1.098 226 V HN 0.498 nan 8.190 nan 0.000 0.463 227 S N 1.901 117.579 115.700 -0.036 0.000 2.481 227 S HA -0.159 4.311 4.470 0.001 0.000 0.231 227 S C 1.889 176.423 174.600 -0.110 0.000 0.996 227 S CA 0.951 59.123 58.200 -0.046 0.000 0.942 227 S CB -0.620 62.543 63.200 -0.061 0.000 0.768 227 S HN 0.862 nan 8.310 nan 0.000 0.520 228 R N -0.015 120.316 120.500 -0.282 0.000 2.316 228 R HA 0.113 4.453 4.340 0.001 0.000 0.202 228 R C 0.104 176.046 176.300 -0.597 0.000 1.029 228 R CA 0.762 56.580 56.100 -0.469 0.000 1.018 228 R CB -0.598 29.300 30.300 -0.670 0.000 0.888 228 R HN 0.525 nan 8.270 nan 0.000 0.471 229 F N 0.194 120.146 119.950 0.003 0.000 2.735 229 F HA 0.446 4.973 4.527 0.001 0.000 0.308 229 F C 1.116 176.919 175.800 0.005 0.000 1.112 229 F CA -0.427 57.576 58.000 0.004 0.000 1.235 229 F CB 1.140 40.140 39.000 -0.000 0.000 1.027 229 F HN 0.189 nan 8.300 nan 0.000 0.528 230 G N 0.549 109.409 108.800 0.100 0.000 2.160 230 G HA2 -0.287 3.673 3.960 0.001 0.000 0.251 230 G HA3 -0.287 3.673 3.960 0.001 0.000 0.251 230 G C 1.466 176.414 174.900 0.081 0.000 1.008 230 G CA 0.246 45.390 45.100 0.074 0.000 0.724 230 G HN 0.693 nan 8.290 nan 0.000 0.514 231 G N 1.197 110.056 108.800 0.098 0.000 2.505 231 G HA2 -0.219 3.741 3.960 0.001 0.000 0.220 231 G HA3 -0.219 3.741 3.960 0.001 0.000 0.220 231 G C 1.520 176.457 174.900 0.062 0.000 1.145 231 G CA 1.636 46.790 45.100 0.089 0.000 0.761 231 G HN 0.939 nan 8.290 nan 0.000 0.571 232 E N 0.967 121.188 120.200 0.035 0.000 2.409 232 E HA -0.114 4.236 4.350 0.001 0.000 0.198 232 E C 1.179 177.801 176.600 0.037 0.000 1.024 232 E CA 0.257 56.675 56.400 0.030 0.000 0.861 232 E CB -0.267 29.433 29.700 0.002 0.000 0.788 232 E HN 0.343 nan 8.360 nan 0.000 0.521 233 R N 1.614 122.135 120.500 0.036 0.000 4.556 233 R HA 0.106 4.446 4.340 0.001 0.000 0.197 233 R C 0.958 177.278 176.300 0.033 0.000 1.791 233 R CA -0.014 56.102 56.100 0.026 0.000 1.526 233 R CB -0.040 30.274 30.300 0.024 0.000 1.410 233 R HN 0.286 nan 8.270 nan 0.000 0.826 234 E N 0.601 120.827 120.200 0.042 0.000 2.118 234 E HA -0.243 4.107 4.350 0.001 0.000 0.195 234 E C 1.357 177.964 176.600 0.013 0.000 0.992 234 E CA 1.125 57.560 56.400 0.057 0.000 0.804 234 E CB -0.025 29.730 29.700 0.092 0.000 0.741 234 E HN 0.472 nan 8.360 nan 0.000 0.458 235 L N 0.652 121.861 121.223 -0.024 0.000 2.046 235 L HA -0.217 4.123 4.340 0.001 0.000 0.208 235 L C 2.586 179.449 176.870 -0.011 0.000 1.077 235 L CA 1.231 56.050 54.840 -0.036 0.000 0.747 235 L CB -0.209 41.820 42.059 -0.050 0.000 0.896 235 L HN 0.083 nan 8.230 nan 0.000 0.432 236 E N -0.542 119.658 120.200 -0.000 0.000 2.152 236 E HA -0.181 4.169 4.350 0.001 0.000 0.192 236 E C 2.214 178.825 176.600 0.018 0.000 0.983 236 E CA 0.792 57.197 56.400 0.007 0.000 0.818 236 E CB 0.080 29.786 29.700 0.010 0.000 0.758 236 E HN 0.276 nan 8.360 nan 0.000 0.467 237 Q N -0.188 119.630 119.800 0.029 0.000 2.224 237 Q HA -0.074 4.267 4.340 0.001 0.000 0.203 237 Q C 2.182 178.206 176.000 0.039 0.000 0.970 237 Q CA 0.883 56.710 55.803 0.040 0.000 0.865 237 Q CB 0.027 28.801 28.738 0.060 0.000 0.922 237 Q HN 0.456 nan 8.270 nan 0.000 0.445 238 I N -0.045 120.545 120.570 0.034 0.000 2.277 238 I HA -0.178 3.993 4.170 0.001 0.000 0.243 238 I C 2.209 178.340 176.117 0.022 0.000 1.094 238 I CA 0.905 62.224 61.300 0.032 0.000 1.393 238 I CB -0.295 37.717 38.000 0.020 0.000 1.078 238 I HN 0.020 nan 8.210 nan 0.000 0.417 239 A N -0.605 122.223 122.820 0.013 0.000 1.968 239 A HA -0.162 4.159 4.320 0.001 0.000 0.217 239 A C 0.774 178.365 177.584 0.012 0.000 1.169 239 A CA 1.474 53.517 52.037 0.009 0.000 0.638 239 A CB -0.152 18.850 19.000 0.003 0.000 0.812 239 A HN 0.417 nan 8.150 nan 0.000 0.446 240 D N -1.269 119.140 120.400 0.015 0.000 2.472 240 D HA 0.167 4.808 4.640 0.001 0.000 0.248 240 D C -0.292 176.018 176.300 0.017 0.000 1.271 240 D CA -0.460 53.549 54.000 0.015 0.000 0.888 240 D CB 0.001 40.809 40.800 0.013 0.000 1.337 240 D HN 0.225 nan 8.370 nan 0.000 0.526 241 R N 1.328 121.839 120.500 0.018 0.000 2.500 241 R HA 0.298 4.638 4.340 0.001 0.000 0.281 241 R C 0.282 176.587 176.300 0.007 0.000 0.953 241 R CA 0.818 56.928 56.100 0.016 0.000 1.108 241 R CB 0.239 30.548 30.300 0.014 0.000 0.901 241 R HN 0.429 nan 8.270 nan 0.000 0.410 242 G N 0.619 109.421 108.800 0.005 0.000 0.000 242 G HA2 0.108 4.069 3.960 0.001 0.000 0.000 242 G HA3 0.108 4.069 3.960 0.001 0.000 0.000 242 G C 0.415 175.284 174.900 -0.053 0.000 0.000 242 G CA -0.234 44.860 45.100 -0.009 0.000 0.000 242 G HN 0.564 nan 8.290 nan 0.000 0.000 243 T N -0.537 113.957 114.554 -0.100 0.000 2.929 243 T HA -0.038 4.312 4.350 0.001 0.000 0.271 243 T C 2.467 176.977 174.700 -0.317 0.000 1.085 243 T CA 2.376 64.336 62.100 -0.234 0.000 1.125 243 T CB -0.495 68.166 68.868 -0.345 0.000 0.874 243 T HN 0.658 nan 8.240 nan 0.000 0.494 244 A N 1.072 123.800 122.820 -0.153 0.000 1.858 244 A HA 0.241 4.562 4.320 0.001 0.000 0.216 244 A C 2.769 180.338 177.584 -0.025 0.000 1.190 244 A CA 1.905 53.925 52.037 -0.029 0.000 0.617 244 A CB -1.420 17.667 19.000 0.145 0.000 0.827 244 A HN 0.642 nan 8.150 nan 0.000 0.443 245 A N -0.175 122.643 122.820 -0.004 0.000 1.940 245 A HA -0.191 4.129 4.320 0.001 0.000 0.219 245 A C 1.928 179.500 177.584 -0.021 0.000 1.176 245 A CA 1.723 53.770 52.037 0.016 0.000 0.631 245 A CB -0.559 18.459 19.000 0.031 0.000 0.814 245 A HN 0.668 nan 8.150 nan 0.000 0.446 246 E N -0.410 119.747 120.200 -0.072 0.000 2.047 246 E HA -0.179 4.171 4.350 0.001 0.000 0.191 246 E C 2.317 178.823 176.600 -0.156 0.000 0.987 246 E CA 1.136 57.474 56.400 -0.103 0.000 0.799 246 E CB -0.234 29.396 29.700 -0.117 0.000 0.752 246 E HN 0.564 nan 8.360 nan 0.000 0.449 247 R N 0.702 121.085 120.500 -0.196 0.000 2.096 247 R HA -0.078 4.263 4.340 0.001 0.000 0.235 247 R C 2.383 178.611 176.300 -0.120 0.000 1.127 247 R CA 1.039 57.013 56.100 -0.211 0.000 0.968 247 R CB -0.322 29.829 30.300 -0.247 0.000 0.861 247 R HN 0.105 nan 8.270 nan 0.000 0.440 248 A N 1.567 124.362 122.820 -0.041 0.000 1.873 248 A HA -0.085 4.236 4.320 0.001 0.000 0.215 248 A C 2.432 180.090 177.584 0.123 0.000 1.186 248 A CA 1.602 53.673 52.037 0.056 0.000 0.616 248 A CB -0.695 18.363 19.000 0.096 0.000 0.823 248 A HN 0.371 nan 8.150 nan 0.000 0.442 249 A N -0.208 122.644 122.820 0.054 0.000 1.877 249 A HA -0.072 4.249 4.320 0.001 0.000 0.216 249 A C 2.157 179.711 177.584 -0.051 0.000 1.186 249 A CA 1.571 53.639 52.037 0.051 0.000 0.620 249 A CB -0.688 18.318 19.000 0.009 0.000 0.822 249 A HN 0.475 nan 8.150 nan 0.000 0.443 250 L N -1.875 119.203 121.223 -0.241 0.000 2.191 250 L HA -0.141 4.200 4.340 0.001 0.000 0.212 250 L C 2.443 178.912 176.870 -0.668 0.000 1.103 250 L CA 1.328 55.798 54.840 -0.616 0.000 0.769 250 L CB -0.529 40.971 42.059 -0.931 0.000 0.908 250 L HN 0.559 nan 8.230 nan 0.000 0.438 251 F N -0.043 119.615 119.950 -0.486 0.000 2.102 251 F HA -0.242 4.286 4.527 0.001 0.000 0.298 251 F C 1.973 177.515 175.800 -0.429 0.000 1.105 251 F CA 1.603 59.323 58.000 -0.466 0.000 1.239 251 F CB -0.331 38.342 39.000 -0.546 0.000 0.991 251 F HN -0.034 nan 8.300 nan 0.000 0.474 252 W N 0.538 121.830 121.300 -0.014 0.000 2.453 252 W HA 0.025 4.685 4.660 0.000 0.000 0.289 252 W C 2.760 179.160 176.519 -0.197 0.000 1.215 252 W CA 1.030 58.307 57.345 -0.114 0.000 1.297 252 W CB -0.450 28.959 29.460 -0.086 0.000 1.113 252 W HN -0.100 nan 8.180 nan 0.000 0.551 253 R N -0.245 120.268 120.500 0.022 0.000 2.081 253 R HA -0.186 4.154 4.340 0.001 0.000 0.235 253 R C 1.813 178.218 176.300 0.174 0.000 1.131 253 R CA 1.961 58.100 56.100 0.065 0.000 0.960 253 R CB -0.710 29.610 30.300 0.035 0.000 0.856 253 R HN 0.111 nan 8.270 nan 0.000 0.436 254 W N 0.387 121.617 121.300 -0.118 0.000 2.519 254 W HA 0.063 4.723 4.660 0.000 0.000 0.266 254 W C 1.975 178.363 176.519 -0.219 0.000 1.253 254 W CA 0.839 58.088 57.345 -0.160 0.000 1.274 254 W CB -0.783 28.556 29.460 -0.201 0.000 1.114 254 W HN 0.130 nan 8.180 nan 0.000 0.596 255 T N 0.400 114.885 114.554 -0.115 0.000 2.852 255 T HA -0.053 4.297 4.350 0.001 0.000 0.256 255 T C 1.619 176.328 174.700 0.015 0.000 1.038 255 T CA 1.561 63.547 62.100 -0.190 0.000 1.141 255 T CB -0.148 68.410 68.868 -0.517 0.000 0.869 255 T HN 0.162 nan 8.240 nan 0.000 0.439 256 M N -0.819 118.844 119.600 0.104 0.000 2.416 256 M HA 0.601 5.082 4.480 0.001 0.000 0.337 256 M C 1.256 177.720 176.300 0.274 0.000 1.074 256 M CA 0.086 55.495 55.300 0.182 0.000 0.968 256 M CB 0.897 33.621 32.600 0.206 0.000 1.472 256 M HN 0.266 nan 8.290 nan 0.000 0.539 257 G N 2.199 111.134 108.800 0.225 0.000 2.225 257 G HA2 -0.293 3.667 3.960 0.001 0.000 0.254 257 G HA3 -0.293 3.667 3.960 0.001 0.000 0.254 257 G C -0.183 174.943 174.900 0.376 0.000 0.988 257 G CA 0.629 45.891 45.100 0.271 0.000 0.625 257 G HN 0.844 nan 8.290 nan 0.000 0.527 258 F N 0.130 120.137 119.950 0.094 0.000 2.711 258 F HA 0.775 5.303 4.527 0.002 0.000 0.313 258 F C -0.773 175.078 175.800 0.085 0.000 1.141 258 F CA -1.316 56.733 58.000 0.081 0.000 0.941 258 F CB 0.703 39.740 39.000 0.062 0.000 1.349 258 F HN 0.386 nan 8.300 nan 0.000 0.464 259 N N 1.111 119.797 118.700 -0.023 0.000 3.243 259 N HA 0.789 5.530 4.740 0.001 0.000 0.280 259 N C -1.753 173.763 175.510 0.011 0.000 1.545 259 N CA -0.646 52.328 53.050 -0.128 0.000 0.854 259 N CB 1.798 40.292 38.487 0.012 0.000 1.612 259 N HN 1.083 nan 8.380 nan 0.000 0.577 260 A N -0.231 122.587 122.820 -0.003 0.000 2.464 260 A HA 0.834 5.154 4.320 0.001 0.000 0.268 260 A C -0.204 177.441 177.584 0.101 0.000 1.244 260 A CA -0.209 51.889 52.037 0.102 0.000 0.871 260 A CB 0.708 19.742 19.000 0.056 0.000 1.400 260 A HN 0.877 nan 8.150 nan 0.000 0.455 261 T N -3.495 111.133 114.554 0.124 0.000 2.940 261 T HA 0.455 4.805 4.350 0.001 0.000 0.288 261 T C 0.815 175.585 174.700 0.117 0.000 1.045 261 T CA -0.158 62.005 62.100 0.106 0.000 1.018 261 T CB 1.025 69.956 68.868 0.103 0.000 1.151 261 T HN 0.462 nan 8.240 nan 0.000 0.529 262 M N 0.463 120.136 119.600 0.122 0.000 2.213 262 M HA 0.017 4.498 4.480 0.001 0.000 0.263 262 M C 2.060 178.505 176.300 0.242 0.000 1.062 262 M CA 1.760 57.163 55.300 0.172 0.000 1.105 262 M CB -0.866 31.819 32.600 0.141 0.000 1.385 262 M HN 0.914 nan 8.290 nan 0.000 0.417 263 E N -1.532 118.773 120.200 0.175 0.000 2.060 263 E HA -0.035 4.316 4.350 0.001 0.000 0.189 263 E C 2.005 178.722 176.600 0.196 0.000 0.974 263 E CA 0.939 57.447 56.400 0.180 0.000 0.808 263 E CB -0.550 29.204 29.700 0.090 0.000 0.768 263 E HN 0.531 nan 8.360 nan 0.000 0.453 264 G N 1.657 110.549 108.800 0.153 0.000 2.442 264 G HA2 -0.284 3.676 3.960 0.001 0.000 0.219 264 G HA3 -0.284 3.676 3.960 0.001 0.000 0.219 264 G C 1.542 176.571 174.900 0.215 0.000 1.141 264 G CA 0.919 46.115 45.100 0.160 0.000 0.763 264 G HN 0.370 nan 8.290 nan 0.000 0.554 265 I N 0.611 121.257 120.570 0.127 0.000 2.335 265 I HA -0.139 4.031 4.170 0.001 0.000 0.251 265 I C 2.265 178.249 176.117 -0.222 0.000 1.129 265 I CA 1.213 62.485 61.300 -0.048 0.000 1.402 265 I CB -0.372 37.428 38.000 -0.334 0.000 1.069 265 I HN 0.300 nan 8.210 nan 0.000 0.424 266 H N -0.511 118.528 119.070 -0.051 0.000 2.529 266 H HA 0.110 4.667 4.556 0.001 0.000 0.277 266 H C 2.180 177.508 175.328 0.001 0.000 0.999 266 H CA 0.811 56.807 56.048 -0.086 0.000 1.256 266 H CB -0.043 29.670 29.762 -0.082 0.000 1.402 266 H HN 0.287 nan 8.280 nan 0.000 0.566 267 R N -0.797 119.791 120.500 0.146 0.000 2.100 267 R HA -0.077 4.263 4.340 0.001 0.000 0.220 267 R C 1.323 177.755 176.300 0.220 0.000 1.091 267 R CA 0.943 57.144 56.100 0.168 0.000 0.986 267 R CB -0.121 30.242 30.300 0.105 0.000 0.888 267 R HN 0.375 nan 8.270 nan 0.000 0.444 268 W N 0.972 122.319 121.300 0.078 0.000 2.381 268 W HA -0.084 4.576 4.660 0.000 0.000 0.301 268 W C 2.495 179.035 176.519 0.035 0.000 1.205 268 W CA 1.195 58.580 57.345 0.067 0.000 1.285 268 W CB -0.247 29.197 29.460 -0.027 0.000 1.133 268 W HN 0.151 nan 8.180 nan 0.000 0.521 269 A N 0.278 123.186 122.820 0.147 0.000 1.858 269 A HA -0.224 4.097 4.320 0.001 0.000 0.216 269 A C 1.931 179.512 177.584 -0.005 0.000 1.190 269 A CA 1.760 53.782 52.037 -0.025 0.000 0.617 269 A CB -1.115 17.747 19.000 -0.231 0.000 0.827 269 A HN 0.327 nan 8.150 nan 0.000 0.443 270 I N -2.003 118.557 120.570 -0.016 0.000 2.208 270 I HA -0.290 3.881 4.170 0.001 0.000 0.245 270 I C 2.316 178.329 176.117 -0.172 0.000 1.097 270 I CA 1.607 62.841 61.300 -0.111 0.000 1.363 270 I CB -0.123 37.781 38.000 -0.161 0.000 1.051 270 I HN 0.622 nan 8.210 nan 0.000 0.413 271 W N -0.128 121.169 121.300 -0.004 0.000 2.418 271 W HA -0.211 4.451 4.660 0.002 0.000 0.292 271 W C 2.458 178.929 176.519 -0.081 0.000 1.213 271 W CA 0.890 58.203 57.345 -0.053 0.000 1.283 271 W CB -0.373 29.040 29.460 -0.078 0.000 1.119 271 W HN 0.152 nan 8.180 nan 0.000 0.542 272 M N 1.014 120.749 119.600 0.225 0.000 2.080 272 M HA -0.156 4.324 4.480 0.001 0.000 0.260 272 M C 2.068 178.438 176.300 0.117 0.000 1.068 272 M CA 2.462 57.886 55.300 0.207 0.000 1.109 272 M CB -0.863 31.886 32.600 0.247 0.000 1.342 272 M HN -0.039 nan 8.290 nan 0.000 0.405 273 A N -1.249 121.613 122.820 0.070 0.000 1.854 273 A HA -0.050 4.271 4.320 0.001 0.000 0.214 273 A C 2.192 179.793 177.584 0.028 0.000 1.192 273 A CA 1.700 53.774 52.037 0.063 0.000 0.611 273 A CB -1.247 17.776 19.000 0.037 0.000 0.832 273 A HN 0.352 nan 8.150 nan 0.000 0.442 274 V N 0.328 120.220 119.914 -0.035 0.000 2.392 274 V HA -0.259 3.862 4.120 0.001 0.000 0.249 274 V C 2.483 178.551 176.094 -0.043 0.000 1.059 274 V CA 1.986 64.249 62.300 -0.060 0.000 1.051 274 V CB -0.655 31.034 31.823 -0.223 0.000 0.658 274 V HN 0.569 nan 8.190 nan 0.000 0.455 275 L N -0.840 120.300 121.223 -0.139 0.000 2.362 275 L HA -0.110 4.231 4.340 0.001 0.000 0.219 275 L C 2.298 179.090 176.870 -0.130 0.000 1.134 275 L CA 0.482 55.136 54.840 -0.310 0.000 0.807 275 L CB -0.506 40.909 42.059 -1.073 0.000 0.927 275 L HN 0.213 nan 8.230 nan 0.000 0.447 276 V N -0.007 119.923 119.914 0.026 0.000 2.255 276 V HA -0.305 3.815 4.120 0.001 0.000 0.247 276 V C 2.616 178.815 176.094 0.176 0.000 1.051 276 V CA 2.592 65.001 62.300 0.181 0.000 1.018 276 V CB -0.931 30.994 31.823 0.169 0.000 0.641 276 V HN 0.668 nan 8.190 nan 0.000 0.445 277 T N -2.508 112.145 114.554 0.165 0.000 3.067 277 T HA 0.020 4.370 4.350 0.001 0.000 0.261 277 T C 1.777 176.678 174.700 0.335 0.000 1.110 277 T CA 0.532 62.760 62.100 0.214 0.000 1.113 277 T CB -0.084 68.910 68.868 0.210 0.000 0.917 277 T HN 0.185 nan 8.240 nan 0.000 0.499 278 L N 2.808 124.189 121.223 0.264 0.000 2.005 278 L HA 0.011 4.351 4.340 0.001 0.000 0.207 278 L C 2.995 180.060 176.870 0.324 0.000 1.072 278 L CA 2.387 57.383 54.840 0.259 0.000 0.744 278 L CB -1.200 40.905 42.059 0.077 0.000 0.895 278 L HN 0.562 nan 8.230 nan 0.000 0.433 279 T N -4.036 110.687 114.554 0.281 0.000 2.821 279 T HA -0.070 4.281 4.350 0.001 0.000 0.267 279 T C 1.978 176.858 174.700 0.301 0.000 1.046 279 T CA 0.864 63.190 62.100 0.376 0.000 1.139 279 T CB -1.298 67.866 68.868 0.492 0.000 0.871 279 T HN 0.335 nan 8.240 nan 0.000 0.454 280 G N 1.433 110.379 108.800 0.244 0.000 2.446 280 G HA2 0.022 3.982 3.960 0.001 0.000 0.217 280 G HA3 0.022 3.982 3.960 0.001 0.000 0.217 280 G C 1.741 176.688 174.900 0.078 0.000 1.168 280 G CA 0.747 45.940 45.100 0.155 0.000 0.771 280 G HN 0.668 nan 8.290 nan 0.000 0.551 281 G N 0.947 109.800 108.800 0.088 0.000 2.418 281 G HA2 -0.169 3.792 3.960 0.001 0.000 0.217 281 G HA3 -0.169 3.792 3.960 0.001 0.000 0.217 281 G C 1.792 176.631 174.900 -0.101 0.000 1.158 281 G CA 0.837 45.796 45.100 -0.236 0.000 0.771 281 G HN 0.449 nan 8.290 nan 0.000 0.545 282 I N 1.271 121.930 120.570 0.149 0.000 2.226 282 I HA -0.110 4.060 4.170 0.001 0.000 0.245 282 I C 3.093 179.071 176.117 -0.232 0.000 1.100 282 I CA 1.055 62.297 61.300 -0.097 0.000 1.374 282 I CB -0.478 37.206 38.000 -0.527 0.000 1.057 282 I HN 0.250 nan 8.210 nan 0.000 0.413 283 G N 1.279 109.987 108.800 -0.152 0.000 2.440 283 G HA2 -0.204 3.757 3.960 0.001 0.000 0.218 283 G HA3 -0.204 3.757 3.960 0.001 0.000 0.218 283 G C 1.569 176.498 174.900 0.048 0.000 1.154 283 G CA 0.555 45.647 45.100 -0.014 0.000 0.767 283 G HN 0.199 nan 8.290 nan 0.000 0.552 284 I N 0.369 120.943 120.570 0.008 0.000 2.286 284 I HA 0.003 4.173 4.170 0.001 0.000 0.245 284 I C 2.581 178.748 176.117 0.084 0.000 1.104 284 I CA 0.511 61.832 61.300 0.035 0.000 1.397 284 I CB -1.049 36.882 38.000 -0.115 0.000 1.072 284 I HN 0.148 nan 8.210 nan 0.000 0.417 285 L N 0.871 122.085 121.223 -0.015 0.000 2.131 285 L HA -0.128 4.212 4.340 0.001 0.000 0.210 285 L C 2.212 179.123 176.870 0.068 0.000 1.092 285 L CA 1.732 56.569 54.840 -0.006 0.000 0.759 285 L CB -0.492 41.532 42.059 -0.058 0.000 0.903 285 L HN 0.124 nan 8.230 nan 0.000 0.435 286 L N -1.219 120.072 121.223 0.113 0.000 2.395 286 L HA 0.025 4.365 4.340 0.001 0.000 0.218 286 L C 0.826 177.801 176.870 0.175 0.000 1.130 286 L CA -0.061 54.871 54.840 0.154 0.000 0.826 286 L CB -0.372 41.833 42.059 0.242 0.000 0.941 286 L HN 0.063 nan 8.230 nan 0.000 0.451 287 S N 0.294 116.150 115.700 0.259 0.000 2.455 287 S HA 0.415 4.885 4.470 0.001 0.000 0.278 287 S C 1.082 175.714 174.600 0.053 0.000 1.216 287 S CA 0.344 58.640 58.200 0.159 0.000 1.055 287 S CB 1.019 64.293 63.200 0.124 0.000 0.939 287 S HN 0.537 nan 8.310 nan 0.000 0.494 288 G N 3.007 111.876 108.800 0.115 0.000 2.268 288 G HA2 -0.346 3.614 3.960 0.001 0.000 0.240 288 G HA3 -0.346 3.614 3.960 0.001 0.000 0.240 288 G C 0.989 175.907 174.900 0.029 0.000 1.010 288 G CA 0.751 45.929 45.100 0.131 0.000 0.618 288 G HN 0.825 nan 8.290 nan 0.000 0.516 289 T N -2.621 111.946 114.554 0.022 0.000 3.021 289 T HA 0.438 4.788 4.350 0.001 0.000 0.245 289 T C 2.044 176.734 174.700 -0.017 0.000 1.028 289 T CA 1.863 63.966 62.100 0.006 0.000 1.139 289 T CB 0.270 69.151 68.868 0.023 0.000 0.884 289 T HN 0.616 nan 8.240 nan 0.000 0.457 290 V N 0.339 120.232 119.914 -0.036 0.000 3.359 290 V HA 0.396 4.516 4.120 0.001 0.000 0.245 290 V C 0.247 176.258 176.094 -0.139 0.000 1.247 290 V CA -0.050 62.218 62.300 -0.054 0.000 1.145 290 V CB 1.172 32.983 31.823 -0.021 0.000 0.906 290 V HN 0.328 nan 8.190 nan 0.000 0.464 291 V N 0.864 120.612 119.914 -0.275 0.000 2.483 291 V HA 0.396 4.516 4.120 0.001 0.000 0.297 291 V C 0.342 176.184 176.094 -0.420 0.000 1.027 291 V CA -0.383 61.609 62.300 -0.513 0.000 0.855 291 V CB 1.693 32.728 31.823 -1.314 0.000 0.995 291 V HN 0.281 nan 8.190 nan 0.000 0.424 292 D N 2.535 122.765 120.400 -0.284 0.000 2.240 292 D HA 0.020 4.661 4.640 0.001 0.000 0.206 292 D C 0.444 176.612 176.300 -0.221 0.000 0.963 292 D CA 0.835 54.708 54.000 -0.211 0.000 0.863 292 D CB 0.570 41.271 40.800 -0.165 0.000 0.973 292 D HN 0.506 nan 8.370 nan 0.000 0.501 293 N N -0.372 118.194 118.700 -0.224 0.000 2.533 293 N HA 0.007 4.747 4.740 0.001 0.000 0.289 293 N C -0.105 175.386 175.510 -0.033 0.000 1.103 293 N CA -0.423 52.581 53.050 -0.077 0.000 0.877 293 N CB 0.602 39.091 38.487 0.003 0.000 1.419 293 N HN -0.090 nan 8.380 nan 0.000 0.517 294 W N 2.051 123.480 121.300 0.215 0.000 2.425 294 W HA -0.113 4.548 4.660 0.000 0.000 0.277 294 W C 1.783 178.481 176.519 0.299 0.000 1.231 294 W CA 0.437 57.956 57.345 0.290 0.000 1.248 294 W CB -0.261 29.368 29.460 0.281 0.000 1.117 294 W HN 0.668 nan 8.180 nan 0.000 0.568 295 Y N 0.754 121.185 120.300 0.219 0.000 2.114 295 Y HA -0.275 4.276 4.550 0.001 0.000 0.284 295 Y C 2.236 178.083 175.900 -0.088 0.000 1.143 295 Y CA 2.004 59.960 58.100 -0.240 0.000 1.135 295 Y CB -0.981 37.325 38.460 -0.256 0.000 0.980 295 Y HN -0.210 nan 8.280 nan 0.000 0.499 296 V N -0.335 119.503 119.914 -0.126 0.000 2.287 296 V HA -0.331 3.790 4.120 0.001 0.000 0.248 296 V C 2.153 178.167 176.094 -0.132 0.000 1.053 296 V CA 2.142 64.315 62.300 -0.212 0.000 1.027 296 V CB -1.207 30.587 31.823 -0.047 0.000 0.646 296 V HN 0.731 nan 8.190 nan 0.000 0.447 297 W N 1.332 122.550 121.300 -0.137 0.000 2.318 297 W HA -0.169 4.491 4.660 0.000 0.000 0.313 297 W C 2.337 178.853 176.519 -0.004 0.000 1.221 297 W CA 2.107 59.410 57.345 -0.070 0.000 1.266 297 W CB -0.765 28.654 29.460 -0.068 0.000 1.150 297 W HN 0.256 nan 8.180 nan 0.000 0.496 298 G N -0.372 108.540 108.800 0.186 0.000 2.450 298 G HA2 -0.290 3.670 3.960 0.001 0.000 0.220 298 G HA3 -0.290 3.670 3.960 0.001 0.000 0.220 298 G C 1.404 176.180 174.900 -0.207 0.000 1.130 298 G CA 0.954 46.076 45.100 0.038 0.000 0.760 298 G HN 0.284 nan 8.290 nan 0.000 0.557 299 Q N 0.342 119.944 119.800 -0.329 0.000 2.226 299 Q HA -0.038 4.302 4.340 0.001 0.000 0.204 299 Q C 1.382 177.230 176.000 -0.253 0.000 0.975 299 Q CA 0.896 56.509 55.803 -0.317 0.000 0.866 299 Q CB -0.232 28.265 28.738 -0.402 0.000 0.915 299 Q HN 0.667 nan 8.270 nan 0.000 0.440 300 N N 0.006 118.520 118.700 -0.310 0.000 2.251 300 N HA 0.008 4.748 4.740 0.001 0.000 0.217 300 N C -0.047 175.268 175.510 -0.324 0.000 1.124 300 N CA -0.087 52.790 53.050 -0.288 0.000 0.843 300 N CB 0.524 38.847 38.487 -0.274 0.000 1.024 300 N HN 0.124 nan 8.380 nan 0.000 0.501 301 H N 0.000 118.774 119.070 -0.494 0.000 2.539 301 H HA 0.000 4.557 4.556 0.001 0.000 0.296 301 H CA 0.000 55.764 56.048 -0.473 0.000 1.023 301 H CB 0.000 29.207 29.762 -0.924 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496