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 1ds8_1_M 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 0.000 175.890 175.900 -0.017 0.000 1.272 3 Y CA 0.000 58.099 58.100 -0.001 0.000 1.940 3 Y CB 0.000 38.459 38.460 -0.002 0.000 1.050 4 Q N 2.938 122.421 119.800 -0.528 0.000 2.356 4 Q HA 0.097 4.437 4.340 0.000 0.000 0.205 4 Q C 0.474 176.076 176.000 -0.664 0.000 0.901 4 Q CA 0.776 56.301 55.803 -0.463 0.000 0.938 4 Q CB 0.140 28.721 28.738 -0.263 0.000 1.081 4 Q HN 0.759 nan 8.270 nan 0.000 0.517 5 N N 0.124 118.028 118.700 -1.327 0.000 2.754 5 N HA -0.160 4.580 4.740 0.000 0.000 0.248 5 N C 0.178 175.445 175.510 -0.406 0.000 1.093 5 N CA 0.300 52.834 53.050 -0.860 0.000 0.699 5 N CB -0.930 37.300 38.487 -0.428 0.000 1.016 5 N HN 0.162 nan 8.380 nan 0.000 0.552 6 I N -1.429 118.912 120.570 -0.381 0.000 2.731 6 I HA 0.146 4.316 4.170 0.000 0.000 0.260 6 I C 0.538 176.411 176.117 -0.406 0.000 1.138 6 I CA 0.991 62.052 61.300 -0.397 0.000 1.461 6 I CB -0.525 37.205 38.000 -0.450 0.000 1.128 6 I HN 0.049 nan 8.210 nan 0.000 0.438 7 F N 0.275 120.295 119.950 0.118 0.000 2.551 7 F HA 0.404 4.931 4.527 0.000 0.000 0.316 7 F C 0.756 176.767 175.800 0.352 0.000 1.089 7 F CA -1.043 57.117 58.000 0.267 0.000 0.915 7 F CB 1.380 40.513 39.000 0.223 0.000 1.186 7 F HN -0.339 nan 8.300 nan 0.000 0.456 8 S N 1.800 117.867 115.700 0.613 0.000 2.564 8 S HA 0.099 4.569 4.470 0.000 0.000 0.278 8 S C 0.969 175.885 174.600 0.526 0.000 1.333 8 S CA -0.446 58.050 58.200 0.493 0.000 1.048 8 S CB 1.149 64.545 63.200 0.326 0.000 0.900 8 S HN 0.706 nan 8.310 nan 0.000 0.505 9 Q N 0.786 120.763 119.800 0.295 0.000 2.096 9 Q HA 0.108 4.449 4.340 0.000 0.000 0.197 9 Q C 0.293 176.439 176.000 0.245 0.000 0.964 9 Q CA 0.755 56.664 55.803 0.177 0.000 0.838 9 Q CB 0.243 28.900 28.738 -0.136 0.000 0.906 9 Q HN 0.461 nan 8.270 nan 0.000 0.444 10 V N 0.732 120.732 119.914 0.144 0.000 2.686 10 V HA 0.242 4.362 4.120 0.000 0.000 0.306 10 V C -1.573 174.515 176.094 -0.011 0.000 1.065 10 V CA -0.663 61.683 62.300 0.078 0.000 0.894 10 V CB 1.981 33.816 31.823 0.020 0.000 1.004 10 V HN 0.131 nan 8.190 nan 0.000 0.424 11 Q N 3.522 123.243 119.800 -0.132 0.000 2.235 11 Q HA 0.661 5.001 4.340 0.000 0.000 0.250 11 Q C -1.154 174.768 176.000 -0.129 0.000 0.909 11 Q CA -0.450 55.234 55.803 -0.198 0.000 0.910 11 Q CB 2.380 30.871 28.738 -0.412 0.000 1.223 11 Q HN 0.615 nan 8.270 nan 0.000 0.432 12 V N 2.927 122.783 119.914 -0.098 0.000 2.604 12 V HA 0.560 4.680 4.120 0.000 0.000 0.305 12 V C -0.794 175.248 176.094 -0.087 0.000 1.043 12 V CA -0.557 61.696 62.300 -0.079 0.000 0.888 12 V CB 2.091 33.884 31.823 -0.050 0.000 0.995 12 V HN 0.678 nan 8.190 nan 0.000 0.429 13 R N 2.571 123.004 120.500 -0.112 0.000 2.621 13 R HA 0.748 5.088 4.340 0.000 0.000 0.284 13 R C -0.444 175.763 176.300 -0.156 0.000 0.998 13 R CA -0.121 55.886 56.100 -0.155 0.000 0.895 13 R CB 2.230 32.366 30.300 -0.273 0.000 1.195 13 R HN 0.892 nan 8.270 nan 0.000 0.450 14 G N 2.403 111.121 108.800 -0.137 0.000 3.086 14 G HA2 0.530 4.490 3.960 0.000 0.000 0.282 14 G HA3 0.530 4.490 3.960 0.000 0.000 0.282 14 G C -2.645 172.199 174.900 -0.093 0.000 1.343 14 G CA -1.072 43.967 45.100 -0.102 0.000 0.895 14 G HN 0.429 nan 8.290 nan 0.000 0.557 15 P HA 0.372 nan 4.420 nan 0.000 0.264 15 P C 0.240 177.604 177.300 0.106 0.000 1.183 15 P CA 0.121 63.228 63.100 0.011 0.000 0.763 15 P CB 0.583 32.289 31.700 0.010 0.000 0.807 16 A N 2.754 125.698 122.820 0.207 0.000 2.561 16 A HA 0.026 4.346 4.320 0.000 0.000 0.234 16 A C 0.454 178.119 177.584 0.136 0.000 1.055 16 A CA 0.211 52.440 52.037 0.319 0.000 0.756 16 A CB -0.126 19.046 19.000 0.287 0.000 0.986 16 A HN 0.535 nan 8.150 nan 0.000 0.505 17 D N 1.929 122.385 120.400 0.093 0.000 2.313 17 D HA 0.347 4.987 4.640 0.000 0.000 0.239 17 D C 0.777 177.083 176.300 0.011 0.000 1.142 17 D CA -0.136 53.887 54.000 0.039 0.000 0.847 17 D CB 0.955 41.771 40.800 0.026 0.000 1.082 17 D HN 0.462 nan 8.370 nan 0.000 0.480 18 L N 2.796 124.025 121.223 0.010 0.000 2.492 18 L HA 0.209 4.549 4.340 0.000 0.000 0.223 18 L C 1.411 178.279 176.870 -0.004 0.000 1.132 18 L CA 0.286 55.127 54.840 0.001 0.000 0.850 18 L CB -0.481 41.581 42.059 0.005 0.000 0.966 18 L HN 0.614 nan 8.230 nan 0.000 0.454 19 G N -0.078 108.718 108.800 -0.007 0.000 2.746 19 G HA2 -0.169 3.791 3.960 0.000 0.000 0.685 19 G HA3 -0.169 3.791 3.960 0.000 0.000 0.685 19 G C -0.389 174.501 174.900 -0.017 0.000 1.350 19 G CA -0.984 44.107 45.100 -0.015 0.000 0.837 19 G HN -0.157 nan 8.290 nan 0.000 0.564 20 M N 0.285 119.869 119.600 -0.027 0.000 2.245 20 M HA 0.265 4.745 4.480 0.000 0.000 0.330 20 M C 1.726 178.009 176.300 -0.028 0.000 1.098 20 M CA 0.671 55.953 55.300 -0.030 0.000 1.172 20 M CB 0.122 32.697 32.600 -0.042 0.000 1.467 20 M HN 0.710 nan 8.290 nan 0.000 0.454 21 T N 0.002 114.540 114.554 -0.025 0.000 2.990 21 T HA 0.048 4.398 4.350 0.000 0.000 0.237 21 T C 0.711 175.392 174.700 -0.031 0.000 1.009 21 T CA 0.332 62.420 62.100 -0.020 0.000 1.195 21 T CB 0.119 68.979 68.868 -0.014 0.000 0.885 21 T HN 0.684 nan 8.240 nan 0.000 0.424 22 E N 0.747 120.925 120.200 -0.035 0.000 3.440 22 E HA -0.190 4.160 4.350 0.000 0.000 0.328 22 E C -0.120 176.456 176.600 -0.039 0.000 1.514 22 E CA 1.606 57.980 56.400 -0.044 0.000 1.926 22 E CB -0.943 28.719 29.700 -0.063 0.000 1.874 22 E HN 0.330 nan 8.360 nan 0.000 0.471 23 D N -0.078 120.291 120.400 -0.052 0.000 2.358 23 D HA 0.119 4.759 4.640 0.000 0.000 0.224 23 D C 0.040 176.315 176.300 -0.042 0.000 1.123 23 D CA 0.512 54.486 54.000 -0.043 0.000 0.833 23 D CB -0.270 40.500 40.800 -0.050 0.000 0.946 23 D HN 0.222 nan 8.370 nan 0.000 0.505 24 V N 0.480 120.368 119.914 -0.043 0.000 2.732 24 V HA 0.225 4.345 4.120 0.000 0.000 0.297 24 V C 0.347 176.480 176.094 0.065 0.000 1.060 24 V CA -0.792 61.496 62.300 -0.019 0.000 1.038 24 V CB 1.559 33.347 31.823 -0.058 0.000 1.003 24 V HN -0.112 nan 8.190 nan 0.000 0.481 25 N N 4.669 123.460 118.700 0.153 0.000 2.466 25 N HA 0.072 4.812 4.740 0.000 0.000 0.263 25 N C 0.670 176.255 175.510 0.125 0.000 1.178 25 N CA -0.181 52.947 53.050 0.130 0.000 0.983 25 N CB 0.410 38.980 38.487 0.137 0.000 1.331 25 N HN 0.732 nan 8.380 nan 0.000 0.500 26 L N 2.870 124.131 121.223 0.064 0.000 2.351 26 L HA -0.139 4.201 4.340 0.000 0.000 0.220 26 L C 2.202 179.060 176.870 -0.019 0.000 1.127 26 L CA 1.209 56.069 54.840 0.032 0.000 0.786 26 L CB -1.207 40.861 42.059 0.014 0.000 0.914 26 L HN 0.607 nan 8.230 nan 0.000 0.443 27 A N -0.846 121.953 122.820 -0.034 0.000 2.014 27 A HA -0.119 4.201 4.320 0.000 0.000 0.218 27 A C 1.936 179.437 177.584 -0.139 0.000 1.163 27 A CA 1.188 53.185 52.037 -0.067 0.000 0.652 27 A CB -0.383 18.586 19.000 -0.051 0.000 0.808 27 A HN 0.474 nan 8.150 nan 0.000 0.449 28 N N -0.627 117.931 118.700 -0.237 0.000 2.398 28 N HA 0.027 4.768 4.740 0.000 0.000 0.188 28 N C 0.452 175.627 175.510 -0.559 0.000 1.122 28 N CA 0.198 52.949 53.050 -0.498 0.000 0.866 28 N CB 0.029 37.973 38.487 -0.904 0.000 0.970 28 N HN 0.396 nan 8.380 nan 0.000 0.462 29 R N 1.219 121.552 120.500 -0.278 0.000 2.308 29 R HA 0.152 4.492 4.340 0.000 0.000 0.305 29 R C 0.742 176.981 176.300 -0.101 0.000 1.053 29 R CA -0.213 55.805 56.100 -0.136 0.000 0.957 29 R CB 0.696 30.993 30.300 -0.004 0.000 1.022 29 R HN 0.070 nan 8.270 nan 0.000 0.461 30 S N 2.142 117.794 115.700 -0.080 0.000 2.625 30 S HA 0.425 4.895 4.470 0.000 0.000 0.258 30 S C 0.563 175.140 174.600 -0.039 0.000 1.256 30 S CA -0.394 57.770 58.200 -0.059 0.000 0.983 30 S CB 0.743 63.915 63.200 -0.046 0.000 1.032 30 S HN 0.641 nan 8.310 nan 0.000 0.572 31 G N -0.816 107.965 108.800 -0.031 0.000 2.477 31 G HA2 0.522 4.482 3.960 0.000 0.000 0.304 31 G HA3 0.522 4.482 3.960 0.000 0.000 0.304 31 G C -0.588 174.297 174.900 -0.025 0.000 1.175 31 G CA -0.912 44.175 45.100 -0.021 0.000 0.907 31 G HN 0.773 nan 8.290 nan 0.000 0.509 32 V N 0.794 120.696 119.914 -0.021 0.000 2.655 32 V HA 0.393 4.513 4.120 0.000 0.000 0.300 32 V C 1.458 177.523 176.094 -0.048 0.000 1.044 32 V CA 0.482 62.755 62.300 -0.046 0.000 1.095 32 V CB 0.714 32.519 31.823 -0.030 0.000 0.952 32 V HN 0.936 nan 8.190 nan 0.000 0.485 33 G N 5.359 114.105 108.800 -0.091 0.000 2.504 33 G HA2 0.497 4.457 3.960 0.000 0.000 0.257 33 G HA3 0.497 4.457 3.960 0.000 0.000 0.257 33 G C -2.279 172.575 174.900 -0.076 0.000 1.451 33 G CA -0.702 44.354 45.100 -0.072 0.000 1.059 33 G HN 0.659 nan 8.290 nan 0.000 0.550 34 P HA 0.420 nan 4.420 nan 0.000 0.278 34 P C -1.388 175.889 177.300 -0.037 0.000 1.266 34 P CA -0.474 62.649 63.100 0.039 0.000 0.807 34 P CB 1.146 32.876 31.700 0.050 0.000 1.094 35 F N -0.447 119.493 119.950 -0.015 0.000 2.420 35 F HA 0.310 4.837 4.527 0.000 0.000 0.342 35 F C 1.196 176.982 175.800 -0.024 0.000 1.113 35 F CA -0.188 57.798 58.000 -0.024 0.000 1.059 35 F CB 1.534 40.512 39.000 -0.036 0.000 1.128 35 F HN 0.101 nan 8.300 nan 0.000 0.475 36 S N 1.987 117.755 115.700 0.114 0.000 2.420 36 S HA 0.211 4.681 4.470 0.000 0.000 0.313 36 S C 0.915 175.538 174.600 0.039 0.000 1.079 36 S CA -0.511 57.731 58.200 0.071 0.000 1.104 36 S CB 0.692 63.920 63.200 0.048 0.000 0.969 36 S HN 0.750 nan 8.310 nan 0.000 0.471 37 T N 5.586 120.143 114.554 0.004 0.000 2.788 37 T HA -0.111 4.239 4.350 0.000 0.000 0.268 37 T C 1.752 176.360 174.700 -0.153 0.000 1.044 37 T CA 1.270 63.290 62.100 -0.134 0.000 1.139 37 T CB -0.287 68.525 68.868 -0.092 0.000 0.867 37 T HN 0.552 nan 8.240 nan 0.000 0.454 38 L N 1.028 122.296 121.223 0.076 0.000 1.989 38 L HA -0.004 4.336 4.340 0.000 0.000 0.211 38 L C 2.149 179.160 176.870 0.235 0.000 1.071 38 L CA 1.687 56.675 54.840 0.246 0.000 0.749 38 L CB -0.628 41.534 42.059 0.172 0.000 0.890 38 L HN 0.251 nan 8.230 nan 0.000 0.431 39 L N -0.953 120.352 121.223 0.137 0.000 2.141 39 L HA -0.094 4.246 4.340 0.000 0.000 0.209 39 L C 2.480 179.445 176.870 0.158 0.000 1.094 39 L CA 1.004 55.942 54.840 0.163 0.000 0.763 39 L CB -1.350 40.772 42.059 0.104 0.000 0.908 39 L HN 0.482 nan 8.230 nan 0.000 0.437 40 G N -0.601 108.207 108.800 0.014 0.000 2.479 40 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 40 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 40 G C 1.165 176.033 174.900 -0.053 0.000 1.115 40 G CA 0.268 45.318 45.100 -0.083 0.000 0.757 40 G HN 0.421 nan 8.290 nan 0.000 0.560 41 W N -1.202 120.210 121.300 0.187 0.000 2.436 41 W HA 0.198 4.859 4.660 0.000 0.000 0.284 41 W C 2.023 178.807 176.519 0.441 0.000 1.225 41 W CA -0.196 57.297 57.345 0.248 0.000 1.271 41 W CB -0.143 29.410 29.460 0.154 0.000 1.114 41 W HN 0.147 nan 8.180 nan 0.000 0.559 42 F N -0.841 119.369 119.950 0.432 0.000 2.500 42 F HA 0.377 4.904 4.527 0.000 0.000 0.285 42 F C 1.450 177.343 175.800 0.156 0.000 1.088 42 F CA 1.315 59.507 58.000 0.319 0.000 1.432 42 F CB -0.312 38.864 39.000 0.294 0.000 1.131 42 F HN -0.219 nan 8.300 nan 0.000 0.582 43 G N -0.903 108.011 108.800 0.191 0.000 2.896 43 G HA2 0.167 4.127 3.960 0.000 0.000 0.247 43 G HA3 0.167 4.127 3.960 0.000 0.000 0.247 43 G C -1.209 173.726 174.900 0.057 0.000 1.187 43 G CA -0.773 44.354 45.100 0.045 0.000 0.837 43 G HN -0.104 nan 8.290 nan 0.000 0.559 44 N N 0.596 119.317 118.700 0.036 0.000 2.479 44 N HA 0.401 5.141 4.740 0.000 0.000 0.257 44 N C 1.023 176.553 175.510 0.032 0.000 1.232 44 N CA 0.488 53.555 53.050 0.027 0.000 0.920 44 N CB 1.700 40.190 38.487 0.004 0.000 1.105 44 N HN 0.585 nan 8.380 nan 0.000 0.444 45 A N 1.745 124.596 122.820 0.052 0.000 2.044 45 A HA -0.034 4.286 4.320 0.000 0.000 0.213 45 A C 0.938 178.488 177.584 -0.057 0.000 1.169 45 A CA 0.287 52.367 52.037 0.072 0.000 0.724 45 A CB -0.168 18.940 19.000 0.179 0.000 0.840 45 A HN 0.738 nan 8.150 nan 0.000 0.463 46 Q N 0.633 120.303 119.800 -0.217 0.000 2.311 46 Q HA 0.298 4.638 4.340 0.000 0.000 0.272 46 Q C -1.460 174.300 176.000 -0.399 0.000 1.012 46 Q CA -0.125 55.259 55.803 -0.698 0.000 0.891 46 Q CB 0.322 28.699 28.738 -0.601 0.000 1.201 46 Q HN 0.232 nan 8.270 nan 0.000 0.391 47 L N 3.875 124.842 121.223 -0.427 0.000 2.317 47 L HA 0.592 4.932 4.340 0.000 0.000 0.281 47 L C 0.665 177.415 176.870 -0.199 0.000 1.024 47 L CA 1.068 55.776 54.840 -0.220 0.000 0.810 47 L CB 0.827 42.796 42.059 -0.149 0.000 1.240 47 L HN 0.932 nan 8.230 nan 0.000 0.427 48 G N 4.486 113.214 108.800 -0.121 0.000 2.804 48 G HA2 -0.140 3.820 3.960 0.000 0.000 0.230 48 G HA3 -0.140 3.820 3.960 0.000 0.000 0.230 48 G C -2.731 172.109 174.900 -0.100 0.000 1.386 48 G CA -0.625 44.423 45.100 -0.087 0.000 0.875 48 G HN 0.536 nan 8.290 nan 0.000 0.557 49 P HA 0.567 nan 4.420 nan 0.000 0.276 49 P C -0.176 177.115 177.300 -0.014 0.000 1.261 49 P CA -0.405 62.672 63.100 -0.037 0.000 0.800 49 P CB 1.284 32.969 31.700 -0.025 0.000 1.066 50 I N 0.251 120.821 120.570 -0.001 0.000 2.693 50 I HA 0.382 4.552 4.170 0.000 0.000 0.303 50 I C -1.133 175.015 176.117 0.051 0.000 1.025 50 I CA -1.434 59.885 61.300 0.032 0.000 1.086 50 I CB 1.813 39.835 38.000 0.035 0.000 1.268 50 I HN 0.226 nan 8.210 nan 0.000 0.440 51 Y N 7.012 127.280 120.300 -0.054 0.000 2.335 51 Y HA 0.562 5.112 4.550 0.000 0.000 0.339 51 Y C -1.316 174.547 175.900 -0.063 0.000 0.987 51 Y CA -0.574 57.487 58.100 -0.066 0.000 1.140 51 Y CB 0.966 39.371 38.460 -0.093 0.000 1.173 51 Y HN 0.380 nan 8.280 nan 0.000 0.486 52 L N 7.663 128.673 121.223 -0.355 0.000 2.433 52 L HA 0.451 4.791 4.340 0.000 0.000 0.256 52 L C 0.592 177.293 176.870 -0.282 0.000 1.063 52 L CA -0.512 54.221 54.840 -0.177 0.000 0.922 52 L CB 0.721 42.727 42.059 -0.089 0.000 1.238 52 L HN 0.903 nan 8.230 nan 0.000 0.466 53 G N 0.217 108.933 108.800 -0.141 0.000 2.494 53 G HA2 0.202 4.162 3.960 0.000 0.000 0.270 53 G HA3 0.202 4.162 3.960 0.000 0.000 0.270 53 G C 0.832 175.736 174.900 0.006 0.000 1.423 53 G CA -0.082 44.990 45.100 -0.046 0.000 1.055 53 G HN 0.419 nan 8.290 nan 0.000 0.536 54 S N -0.782 114.935 115.700 0.028 0.000 2.355 54 S HA -0.124 4.346 4.470 0.000 0.000 0.222 54 S C 2.366 176.997 174.600 0.052 0.000 1.031 54 S CA 0.859 59.075 58.200 0.027 0.000 0.993 54 S CB -0.412 62.803 63.200 0.026 0.000 0.859 54 S HN 0.295 nan 8.310 nan 0.000 0.453 55 L N 2.035 123.294 121.223 0.059 0.000 2.042 55 L HA -0.054 4.286 4.340 0.000 0.000 0.210 55 L C 2.367 179.286 176.870 0.080 0.000 1.076 55 L CA 1.960 56.839 54.840 0.064 0.000 0.749 55 L CB -1.401 40.676 42.059 0.029 0.000 0.893 55 L HN 0.370 nan 8.230 nan 0.000 0.432 56 G N -1.866 106.971 108.800 0.062 0.000 2.408 56 G HA2 -0.161 3.799 3.960 0.000 0.000 0.217 56 G HA3 -0.161 3.799 3.960 0.000 0.000 0.217 56 G C 1.566 176.556 174.900 0.150 0.000 1.150 56 G CA 0.917 46.072 45.100 0.092 0.000 0.776 56 G HN 0.320 nan 8.290 nan 0.000 0.542 57 V N 0.689 120.664 119.914 0.102 0.000 2.358 57 V HA -0.104 4.016 4.120 0.000 0.000 0.246 57 V C 2.641 178.831 176.094 0.159 0.000 1.047 57 V CA 1.531 63.892 62.300 0.102 0.000 1.035 57 V CB -0.386 31.461 31.823 0.040 0.000 0.658 57 V HN 0.364 nan 8.190 nan 0.000 0.452 58 L N 0.205 121.518 121.223 0.151 0.000 2.017 58 L HA -0.144 4.196 4.340 0.000 0.000 0.208 58 L C 2.622 179.649 176.870 0.262 0.000 1.073 58 L CA 2.515 57.479 54.840 0.207 0.000 0.745 58 L CB -0.941 41.216 42.059 0.163 0.000 0.894 58 L HN 0.314 nan 8.230 nan 0.000 0.432 59 S N -0.867 114.975 115.700 0.237 0.000 2.359 59 S HA -0.208 4.262 4.470 0.000 0.000 0.224 59 S C 2.115 176.845 174.600 0.216 0.000 1.035 59 S CA 1.723 60.079 58.200 0.260 0.000 1.018 59 S CB -0.555 62.889 63.200 0.406 0.000 0.876 59 S HN 0.522 nan 8.310 nan 0.000 0.448 60 L N -0.168 121.192 121.223 0.229 0.000 2.046 60 L HA -0.070 4.270 4.340 0.000 0.000 0.208 60 L C 2.249 179.197 176.870 0.131 0.000 1.077 60 L CA 1.867 56.800 54.840 0.154 0.000 0.747 60 L CB -0.470 41.682 42.059 0.156 0.000 0.896 60 L HN 0.473 nan 8.230 nan 0.000 0.432 61 F N 0.254 120.229 119.950 0.041 0.000 2.051 61 F HA -0.240 4.287 4.527 0.000 0.000 0.296 61 F C 2.618 178.407 175.800 -0.019 0.000 1.122 61 F CA 1.998 60.000 58.000 0.003 0.000 1.201 61 F CB -0.567 38.444 39.000 0.019 0.000 0.978 61 F HN -0.019 nan 8.300 nan 0.000 0.472 62 S N 0.438 116.097 115.700 -0.069 0.000 2.365 62 S HA -0.175 4.295 4.470 0.000 0.000 0.225 62 S C 2.335 176.880 174.600 -0.093 0.000 1.039 62 S CA 1.324 59.462 58.200 -0.104 0.000 1.033 62 S CB -1.432 61.866 63.200 0.163 0.000 0.887 62 S HN 0.654 nan 8.310 nan 0.000 0.447 63 G N 1.620 110.418 108.800 -0.002 0.000 2.469 63 G HA2 -0.183 3.777 3.960 0.000 0.000 0.219 63 G HA3 -0.183 3.777 3.960 0.000 0.000 0.219 63 G C 1.334 176.299 174.900 0.110 0.000 1.150 63 G CA 0.817 45.962 45.100 0.075 0.000 0.763 63 G HN 0.446 nan 8.290 nan 0.000 0.561 64 L N -0.242 120.949 121.223 -0.052 0.000 2.093 64 L HA -0.027 4.313 4.340 0.000 0.000 0.208 64 L C 3.070 179.872 176.870 -0.113 0.000 1.085 64 L CA 0.548 55.357 54.840 -0.051 0.000 0.755 64 L CB -0.331 41.667 42.059 -0.103 0.000 0.904 64 L HN 0.140 nan 8.230 nan 0.000 0.435 65 M N -1.127 118.195 119.600 -0.464 0.000 2.117 65 M HA -0.236 4.244 4.480 0.000 0.000 0.262 65 M C 2.093 178.215 176.300 -0.296 0.000 1.065 65 M CA 1.670 56.538 55.300 -0.720 0.000 1.114 65 M CB -1.286 30.172 32.600 -1.902 0.000 1.361 65 M HN 0.440 nan 8.290 nan 0.000 0.408 66 W N 0.660 121.801 121.300 -0.266 0.000 2.333 66 W HA -0.270 4.390 4.660 0.000 0.000 0.316 66 W C 2.238 178.706 176.519 -0.086 0.000 1.215 66 W CA 1.488 58.797 57.345 -0.061 0.000 1.278 66 W CB -1.078 28.361 29.460 -0.035 0.000 1.154 66 W HN 0.175 nan 8.180 nan 0.000 0.486 67 F N 0.253 119.991 119.950 -0.353 0.000 2.126 67 F HA -0.196 4.331 4.527 0.000 0.000 0.299 67 F C 2.362 177.950 175.800 -0.353 0.000 1.096 67 F CA 2.207 59.876 58.000 -0.553 0.000 1.255 67 F CB -1.284 37.556 39.000 -0.266 0.000 0.997 67 F HN 0.004 nan 8.300 nan 0.000 0.479 68 F N 0.627 120.444 119.950 -0.222 0.000 2.102 68 F HA -0.184 4.343 4.527 0.000 0.000 0.298 68 F C 2.343 178.012 175.800 -0.219 0.000 1.105 68 F CA 2.250 60.126 58.000 -0.207 0.000 1.239 68 F CB -1.082 37.824 39.000 -0.157 0.000 0.991 68 F HN -0.127 nan 8.300 nan 0.000 0.474 69 T N 1.710 116.111 114.554 -0.254 0.000 2.684 69 T HA -0.198 4.152 4.350 0.000 0.000 0.267 69 T C 2.128 176.610 174.700 -0.362 0.000 1.036 69 T CA 2.109 64.054 62.100 -0.258 0.000 1.148 69 T CB -0.513 68.360 68.868 0.009 0.000 0.863 69 T HN 0.306 nan 8.240 nan 0.000 0.436 70 I N 1.078 121.312 120.570 -0.561 0.000 2.179 70 I HA -0.094 4.076 4.170 0.000 0.000 0.242 70 I C 2.933 178.587 176.117 -0.771 0.000 1.088 70 I CA 1.283 62.169 61.300 -0.690 0.000 1.357 70 I CB -0.807 36.557 38.000 -1.060 0.000 1.051 70 I HN 0.314 nan 8.210 nan 0.000 0.409 71 G N 1.028 109.364 108.800 -0.773 0.000 2.446 71 G HA2 -0.269 3.691 3.960 0.000 0.000 0.217 71 G HA3 -0.269 3.691 3.960 0.000 0.000 0.217 71 G C 1.775 176.606 174.900 -0.114 0.000 1.168 71 G CA 0.712 45.524 45.100 -0.480 0.000 0.771 71 G HN 0.391 nan 8.290 nan 0.000 0.551 72 I N -0.750 119.643 120.570 -0.294 0.000 2.286 72 I HA -0.090 4.080 4.170 0.000 0.000 0.248 72 I C 2.442 178.600 176.117 0.068 0.000 1.115 72 I CA 1.092 62.327 61.300 -0.108 0.000 1.392 72 I CB -0.068 37.691 38.000 -0.402 0.000 1.065 72 I HN 0.509 nan 8.210 nan 0.000 0.418 73 W N 0.859 122.100 121.300 -0.098 0.000 2.358 73 W HA -0.282 4.378 4.660 0.000 0.000 0.303 73 W C 2.056 178.620 176.519 0.075 0.000 1.208 73 W CA 1.053 58.424 57.345 0.042 0.000 1.274 73 W CB -0.368 29.147 29.460 0.091 0.000 1.138 73 W HN 0.112 nan 8.180 nan 0.000 0.515 74 F N -0.267 119.460 119.950 -0.372 0.000 2.134 74 F HA -0.146 4.381 4.527 0.000 0.000 0.299 74 F C 2.082 177.269 175.800 -1.022 0.000 1.097 74 F CA 1.185 58.685 58.000 -0.833 0.000 1.264 74 F CB -1.698 36.985 39.000 -0.528 0.000 1.001 74 F HN -0.078 nan 8.300 nan 0.000 0.479 75 W N -1.412 119.662 121.300 -0.377 0.000 2.363 75 W HA -0.242 4.418 4.660 0.000 0.000 0.296 75 W C 2.614 178.373 176.519 -1.266 0.000 1.212 75 W CA 1.600 58.573 57.345 -0.620 0.000 1.260 75 W CB -1.049 28.158 29.460 -0.421 0.000 1.131 75 W HN 0.061 nan 8.180 nan 0.000 0.530 76 Y N 1.207 120.781 120.300 -1.209 0.000 2.145 76 Y HA -0.294 4.256 4.550 0.000 0.000 0.286 76 Y C 2.286 177.581 175.900 -1.009 0.000 1.145 76 Y CA 2.148 59.462 58.100 -1.310 0.000 1.148 76 Y CB -0.851 37.170 38.460 -0.731 0.000 0.981 76 Y HN 0.013 nan 8.280 nan 0.000 0.507 77 Q N -0.523 118.561 119.800 -1.193 0.000 2.291 77 Q HA -0.111 4.229 4.340 0.000 0.000 0.206 77 Q C 2.046 177.603 176.000 -0.738 0.000 0.976 77 Q CA 1.050 56.236 55.803 -1.028 0.000 0.875 77 Q CB -0.227 27.932 28.738 -0.965 0.000 0.927 77 Q HN 0.598 nan 8.270 nan 0.000 0.450 78 A N -0.188 122.133 122.820 -0.831 0.000 2.251 78 A HA 0.310 4.630 4.320 0.000 0.000 0.209 78 A C 1.370 178.751 177.584 -0.339 0.000 1.187 78 A CA 0.615 52.395 52.037 -0.428 0.000 0.823 78 A CB -0.134 18.632 19.000 -0.390 0.000 0.846 78 A HN 0.402 nan 8.150 nan 0.000 0.486 79 G N -2.158 106.302 108.800 -0.566 0.000 2.198 79 G HA2 -0.308 3.652 3.960 0.000 0.000 0.260 79 G HA3 -0.308 3.652 3.960 0.000 0.000 0.260 79 G C 0.271 175.111 174.900 -0.101 0.000 1.025 79 G CA 0.169 45.040 45.100 -0.381 0.000 0.769 79 G HN 1.088 nan 8.290 nan 0.000 0.507 80 W N -2.068 119.293 121.300 0.102 0.000 4.233 80 W HA -0.204 4.456 4.660 0.000 0.000 0.328 80 W C 0.661 177.344 176.519 0.274 0.000 1.212 80 W CA 0.366 57.863 57.345 0.253 0.000 0.752 80 W CB -1.822 27.692 29.460 0.090 0.000 2.277 80 W HN 0.591 nan 8.180 nan 0.000 1.465 81 N N 0.816 119.704 118.700 0.313 0.000 2.485 81 N HA 0.189 4.929 4.740 0.000 0.000 0.243 81 N C -1.191 174.481 175.510 0.270 0.000 0.987 81 N CA -1.763 51.435 53.050 0.248 0.000 0.940 81 N CB 1.449 40.005 38.487 0.115 0.000 1.122 81 N HN -0.238 nan 8.380 nan 0.000 0.509 82 P HA -0.181 nan 4.420 nan 0.000 0.216 82 P C 0.906 178.324 177.300 0.197 0.000 1.157 82 P CA 1.763 65.079 63.100 0.359 0.000 0.880 82 P CB 0.287 32.184 31.700 0.329 0.000 0.791 83 A N -0.957 121.947 122.820 0.139 0.000 1.902 83 A HA -0.167 4.153 4.320 0.000 0.000 0.217 83 A C 2.338 179.946 177.584 0.040 0.000 1.181 83 A CA 1.937 54.022 52.037 0.079 0.000 0.623 83 A CB -1.661 17.372 19.000 0.056 0.000 0.818 83 A HN 0.055 nan 8.150 nan 0.000 0.443 84 V N -1.307 118.631 119.914 0.040 0.000 2.358 84 V HA -0.205 3.916 4.120 0.000 0.000 0.246 84 V C 2.247 178.356 176.094 0.026 0.000 1.047 84 V CA 1.899 64.200 62.300 0.002 0.000 1.035 84 V CB -0.969 30.856 31.823 0.004 0.000 0.658 84 V HN 0.624 nan 8.190 nan 0.000 0.452 85 F N 0.452 120.305 119.950 -0.161 0.000 2.095 85 F HA -0.217 4.310 4.527 0.000 0.000 0.298 85 F C 2.040 177.744 175.800 -0.159 0.000 1.104 85 F CA 1.796 59.628 58.000 -0.281 0.000 1.232 85 F CB -0.187 38.238 39.000 -0.957 0.000 0.987 85 F HN 0.025 nan 8.300 nan 0.000 0.475 86 L N 0.168 121.354 121.223 -0.061 0.000 2.072 86 L HA -0.171 4.169 4.340 0.000 0.000 0.205 86 L C 2.640 179.370 176.870 -0.234 0.000 1.079 86 L CA 1.676 56.428 54.840 -0.147 0.000 0.752 86 L CB -0.648 41.421 42.059 0.016 0.000 0.906 86 L HN 0.185 nan 8.230 nan 0.000 0.436 87 R N -0.646 119.755 120.500 -0.166 0.000 2.148 87 R HA -0.086 4.254 4.340 0.000 0.000 0.223 87 R C 0.837 176.979 176.300 -0.263 0.000 1.088 87 R CA 1.466 57.468 56.100 -0.162 0.000 0.985 87 R CB -0.281 29.946 30.300 -0.122 0.000 0.880 87 R HN 0.175 nan 8.270 nan 0.000 0.451 88 D N 0.085 120.214 120.400 -0.451 0.000 2.395 88 D HA 0.031 4.671 4.640 0.000 0.000 0.213 88 D C 1.262 176.889 176.300 -1.121 0.000 1.110 88 D CA -0.140 53.415 54.000 -0.743 0.000 0.835 88 D CB 0.441 40.609 40.800 -1.053 0.000 0.965 88 D HN 0.110 nan 8.370 nan 0.000 0.505 89 L N 0.127 120.816 121.223 -0.891 0.000 2.064 89 L HA -0.229 4.111 4.340 0.000 0.000 0.216 89 L C 1.404 177.756 176.870 -0.863 0.000 1.077 89 L CA 1.845 56.129 54.840 -0.928 0.000 0.766 89 L CB -0.526 40.881 42.059 -1.087 0.000 0.890 89 L HN -0.062 nan 8.230 nan 0.000 0.435 90 F N -2.004 117.602 119.950 -0.573 0.000 2.661 90 F HA 0.031 4.558 4.527 0.000 0.000 0.298 90 F C 1.662 176.861 175.800 -1.002 0.000 1.137 90 F CA 0.362 57.781 58.000 -0.969 0.000 1.454 90 F CB -0.702 37.263 39.000 -1.724 0.000 1.103 90 F HN 0.015 nan 8.300 nan 0.000 0.577 91 F N -1.682 117.935 119.950 -0.556 0.000 2.698 91 F HA 0.173 4.700 4.527 0.000 0.000 0.295 91 F C 0.797 176.346 175.800 -0.419 0.000 1.124 91 F CA -0.694 57.101 58.000 -0.342 0.000 1.426 91 F CB -0.771 38.025 39.000 -0.341 0.000 1.120 91 F HN -0.310 nan 8.300 nan 0.000 0.583 92 F N 0.556 120.263 119.950 -0.406 0.000 2.496 92 F HA 0.344 4.871 4.527 0.000 0.000 0.344 92 F C 0.776 176.272 175.800 -0.506 0.000 1.155 92 F CA -0.531 57.025 58.000 -0.740 0.000 1.302 92 F CB 0.338 38.275 39.000 -1.771 0.000 1.159 92 F HN -0.311 nan 8.300 nan 0.000 0.595 93 S N 2.799 118.581 115.700 0.137 0.000 2.566 93 S HA 0.422 4.892 4.470 0.000 0.000 0.273 93 S C -1.487 173.520 174.600 0.677 0.000 1.157 93 S CA -0.828 57.629 58.200 0.428 0.000 0.938 93 S CB 0.777 64.168 63.200 0.319 0.000 1.087 93 S HN 0.647 nan 8.310 nan 0.000 0.474 94 L N 4.730 126.363 121.223 0.684 0.000 2.270 94 L HA 0.488 4.828 4.340 0.000 0.000 0.286 94 L C -0.265 176.833 176.870 0.379 0.000 1.059 94 L CA -0.324 54.752 54.840 0.393 0.000 0.839 94 L CB 0.442 42.770 42.059 0.449 0.000 1.221 94 L HN 0.716 nan 8.230 nan 0.000 0.431 95 E N 6.111 126.402 120.200 0.151 0.000 2.313 95 E HA 0.392 4.742 4.350 0.000 0.000 0.272 95 E C -2.289 174.162 176.600 -0.248 0.000 1.038 95 E CA -1.724 54.683 56.400 0.012 0.000 0.863 95 E CB 1.073 30.792 29.700 0.032 0.000 1.060 95 E HN 0.414 nan 8.360 nan 0.000 0.402 96 P HA 0.242 nan 4.420 nan 0.000 0.277 96 P C -2.556 174.484 177.300 -0.432 0.000 1.271 96 P CA -1.540 60.843 63.100 -1.195 0.000 0.795 96 P CB -0.466 30.159 31.700 -1.793 0.000 1.101 97 P HA 0.062 nan 4.420 nan 0.000 0.269 97 P C -0.194 177.141 177.300 0.058 0.000 1.217 97 P CA 0.326 63.392 63.100 -0.057 0.000 0.783 97 P CB 0.009 31.721 31.700 0.021 0.000 0.898 98 A N 4.259 127.210 122.820 0.217 0.000 2.386 98 A HA 0.243 4.563 4.320 0.000 0.000 0.246 98 A C -1.335 176.343 177.584 0.156 0.000 1.089 98 A CA -0.768 51.371 52.037 0.171 0.000 0.790 98 A CB -1.115 17.994 19.000 0.181 0.000 1.042 98 A HN 0.429 nan 8.150 nan 0.000 0.497 99 P HA -0.153 nan 4.420 nan 0.000 0.217 99 P C 0.728 178.025 177.300 -0.004 0.000 1.148 99 P CA 1.508 64.622 63.100 0.023 0.000 0.828 99 P CB 0.114 31.810 31.700 -0.006 0.000 0.783 100 E N -1.811 118.353 120.200 -0.059 0.000 2.267 100 E HA -0.191 4.159 4.350 0.000 0.000 0.197 100 E C 1.351 177.820 176.600 -0.219 0.000 0.998 100 E CA 1.161 57.455 56.400 -0.178 0.000 0.830 100 E CB -1.040 28.483 29.700 -0.296 0.000 0.751 100 E HN 0.472 nan 8.360 nan 0.000 0.491 101 Y N -0.266 120.039 120.300 0.008 0.000 2.546 101 Y HA 0.158 4.708 4.550 0.000 0.000 0.287 101 Y C 1.815 177.717 175.900 0.003 0.000 1.158 101 Y CA 0.499 58.614 58.100 0.025 0.000 1.307 101 Y CB -0.206 38.296 38.460 0.070 0.000 1.036 101 Y HN 0.108 nan 8.280 nan 0.000 0.532 102 G N 0.865 109.714 108.800 0.081 0.000 2.611 102 G HA2 -0.352 3.608 3.960 0.000 0.000 0.301 102 G HA3 -0.352 3.608 3.960 0.000 0.000 0.301 102 G C 0.482 175.304 174.900 -0.129 0.000 1.233 102 G CA 0.565 45.640 45.100 -0.043 0.000 0.993 102 G HN 0.259 nan 8.290 nan 0.000 0.553 103 L N 1.952 123.016 121.223 -0.266 0.000 2.872 103 L HA 0.388 4.728 4.340 0.000 0.000 0.245 103 L C 1.464 178.234 176.870 -0.167 0.000 1.211 103 L CA 0.430 54.930 54.840 -0.566 0.000 1.013 103 L CB 0.065 41.727 42.059 -0.661 0.000 1.326 103 L HN 0.660 nan 8.230 nan 0.000 0.525 104 S N -1.240 114.452 115.700 -0.013 0.000 2.652 104 S HA 0.371 4.841 4.470 0.000 0.000 0.270 104 S C 0.143 174.743 174.600 0.001 0.000 1.243 104 S CA -0.450 57.676 58.200 -0.123 0.000 0.999 104 S CB 0.875 64.086 63.200 0.019 0.000 0.973 104 S HN 0.123 nan 8.310 nan 0.000 0.544 105 F N 0.152 120.213 119.950 0.185 0.000 2.668 105 F HA 0.489 5.017 4.527 0.000 0.000 0.297 105 F C 1.743 177.551 175.800 0.014 0.000 1.124 105 F CA -0.789 57.255 58.000 0.073 0.000 1.353 105 F CB -0.855 38.165 39.000 0.033 0.000 0.992 105 F HN 0.770 nan 8.300 nan 0.000 0.524 106 A N 0.107 123.017 122.820 0.150 0.000 2.169 106 A HA 0.475 4.795 4.320 0.000 0.000 0.212 106 A C 1.612 179.173 177.584 -0.039 0.000 1.153 106 A CA 0.400 52.498 52.037 0.101 0.000 0.756 106 A CB -0.648 18.452 19.000 0.166 0.000 0.813 106 A HN 0.182 nan 8.150 nan 0.000 0.471 107 A N 1.128 123.765 122.820 -0.304 0.000 2.540 107 A HA 0.438 4.758 4.320 0.000 0.000 0.239 107 A C -2.292 175.110 177.584 -0.303 0.000 1.061 107 A CA -0.672 50.910 52.037 -0.759 0.000 0.758 107 A CB -0.477 18.005 19.000 -0.862 0.000 0.991 107 A HN 0.262 nan 8.150 nan 0.000 0.502 108 P HA 0.127 nan 4.420 nan 0.000 0.269 108 P C 1.002 178.250 177.300 -0.087 0.000 1.209 108 P CA -0.352 62.705 63.100 -0.071 0.000 0.776 108 P CB 0.456 32.157 31.700 0.002 0.000 0.876 109 L N 1.944 123.137 121.223 -0.050 0.000 2.034 109 L HA -0.269 4.071 4.340 0.000 0.000 0.217 109 L C 1.809 178.613 176.870 -0.109 0.000 1.077 109 L CA 1.935 56.740 54.840 -0.058 0.000 0.769 109 L CB -0.660 41.388 42.059 -0.018 0.000 0.890 109 L HN 0.472 nan 8.230 nan 0.000 0.435 110 K N -0.142 120.223 120.400 -0.059 0.000 2.525 110 K HA -0.023 4.297 4.320 0.000 0.000 0.192 110 K C 0.284 176.822 176.600 -0.104 0.000 1.029 110 K CA 0.479 56.727 56.287 -0.066 0.000 1.029 110 K CB 0.119 32.719 32.500 0.165 0.000 0.814 110 K HN 0.409 nan 8.250 nan 0.000 0.503 111 E N -0.435 119.705 120.200 -0.101 0.000 3.157 111 E HA 0.156 4.506 4.350 0.000 0.000 0.203 111 E C 0.370 176.883 176.600 -0.146 0.000 0.982 111 E CA -0.220 56.137 56.400 -0.071 0.000 1.217 111 E CB 1.308 31.018 29.700 0.016 0.000 1.123 111 E HN 0.332 nan 8.360 nan 0.000 0.457 112 G N 0.030 108.733 108.800 -0.163 0.000 2.428 112 G HA2 -0.247 3.713 3.960 0.000 0.000 0.199 112 G HA3 -0.247 3.713 3.960 0.000 0.000 0.199 112 G C 1.129 176.015 174.900 -0.023 0.000 1.005 112 G CA -0.184 44.854 45.100 -0.104 0.000 0.671 112 G HN 0.431 nan 8.290 nan 0.000 0.485 113 G N 0.747 109.493 108.800 -0.089 0.000 2.418 113 G HA2 0.060 4.020 3.960 0.000 0.000 0.217 113 G HA3 0.060 4.020 3.960 0.000 0.000 0.217 113 G C 1.700 176.583 174.900 -0.028 0.000 1.158 113 G CA 1.592 46.659 45.100 -0.054 0.000 0.771 113 G HN 0.519 nan 8.290 nan 0.000 0.545 114 L N -0.701 120.490 121.223 -0.054 0.000 2.093 114 L HA 0.096 4.436 4.340 0.000 0.000 0.208 114 L C 2.300 179.178 176.870 0.014 0.000 1.085 114 L CA 0.905 55.719 54.840 -0.043 0.000 0.755 114 L CB -1.029 40.950 42.059 -0.134 0.000 0.904 114 L HN 0.550 nan 8.230 nan 0.000 0.435 115 W N -0.329 120.902 121.300 -0.116 0.000 2.381 115 W HA -0.191 4.469 4.660 0.000 0.000 0.301 115 W C 2.261 178.796 176.519 0.026 0.000 1.205 115 W CA 1.343 58.703 57.345 0.025 0.000 1.285 115 W CB -0.063 29.385 29.460 -0.020 0.000 1.133 115 W HN 0.056 nan 8.180 nan 0.000 0.521 116 L N 0.119 121.445 121.223 0.172 0.000 2.056 116 L HA -0.217 4.123 4.340 0.000 0.000 0.207 116 L C 2.386 179.133 176.870 -0.205 0.000 1.078 116 L CA 1.300 56.087 54.840 -0.088 0.000 0.749 116 L CB -0.734 41.280 42.059 -0.074 0.000 0.901 116 L HN 0.019 nan 8.230 nan 0.000 0.433 117 I N -0.277 120.212 120.570 -0.136 0.000 2.226 117 I HA -0.280 3.890 4.170 0.000 0.000 0.245 117 I C 2.790 178.888 176.117 -0.031 0.000 1.100 117 I CA 1.150 62.362 61.300 -0.148 0.000 1.374 117 I CB -0.445 37.528 38.000 -0.045 0.000 1.057 117 I HN 0.196 nan 8.210 nan 0.000 0.413 118 A N 0.104 122.931 122.820 0.012 0.000 1.902 118 A HA -0.202 4.118 4.320 0.000 0.000 0.217 118 A C 2.473 180.131 177.584 0.123 0.000 1.181 118 A CA 2.247 54.347 52.037 0.104 0.000 0.623 118 A CB -0.726 18.123 19.000 -0.251 0.000 0.818 118 A HN 0.393 nan 8.150 nan 0.000 0.443 119 S N -1.232 114.379 115.700 -0.148 0.000 2.402 119 S HA -0.090 4.380 4.470 0.000 0.000 0.229 119 S C 1.609 176.314 174.600 0.175 0.000 1.021 119 S CA 1.278 59.433 58.200 -0.075 0.000 0.974 119 S CB -0.471 62.366 63.200 -0.606 0.000 0.800 119 S HN 0.638 nan 8.310 nan 0.000 0.484 120 F N 1.863 121.751 119.950 -0.103 0.000 2.102 120 F HA -0.070 4.457 4.527 0.000 0.000 0.298 120 F C 1.653 177.471 175.800 0.030 0.000 1.105 120 F CA 1.213 59.140 58.000 -0.122 0.000 1.239 120 F CB -0.482 38.271 39.000 -0.413 0.000 0.991 120 F HN 0.102 nan 8.300 nan 0.000 0.474 121 F N 0.182 120.186 119.950 0.090 0.000 2.134 121 F HA -0.219 4.308 4.527 0.000 0.000 0.299 121 F C 2.666 178.416 175.800 -0.084 0.000 1.097 121 F CA 1.772 59.769 58.000 -0.006 0.000 1.264 121 F CB -1.126 37.961 39.000 0.145 0.000 1.001 121 F HN 0.077 nan 8.300 nan 0.000 0.479 122 M N -1.301 118.318 119.600 0.032 0.000 2.175 122 M HA -0.214 4.266 4.480 0.000 0.000 0.264 122 M C 2.256 178.547 176.300 -0.015 0.000 1.063 122 M CA 1.581 56.675 55.300 -0.343 0.000 1.119 122 M CB -0.399 31.724 32.600 -0.795 0.000 1.377 122 M HN 0.159 nan 8.290 nan 0.000 0.415 123 F N 0.341 120.356 119.950 0.108 0.000 2.069 123 F HA -0.222 4.305 4.527 0.000 0.000 0.298 123 F C 1.858 177.743 175.800 0.141 0.000 1.113 123 F CA 1.989 60.126 58.000 0.228 0.000 1.214 123 F CB -0.515 38.469 39.000 -0.026 0.000 0.978 123 F HN -0.083 nan 8.300 nan 0.000 0.474 124 V N 0.465 120.423 119.914 0.073 0.000 2.343 124 V HA -0.302 3.818 4.120 0.000 0.000 0.247 124 V C 2.705 178.825 176.094 0.044 0.000 1.051 124 V CA 1.695 64.007 62.300 0.021 0.000 1.036 124 V CB -1.616 30.147 31.823 -0.101 0.000 0.654 124 V HN 0.501 nan 8.190 nan 0.000 0.451 125 A N 0.015 122.838 122.820 0.004 0.000 1.865 125 A HA -0.191 4.129 4.320 0.000 0.000 0.217 125 A C 2.412 179.974 177.584 -0.037 0.000 1.191 125 A CA 2.387 54.422 52.037 -0.005 0.000 0.623 125 A CB -0.865 18.078 19.000 -0.094 0.000 0.826 125 A HN 0.321 nan 8.150 nan 0.000 0.444 126 V N -2.261 117.492 119.914 -0.268 0.000 2.295 126 V HA -0.301 3.819 4.120 0.000 0.000 0.246 126 V C 2.302 178.245 176.094 -0.252 0.000 1.049 126 V CA 1.980 64.023 62.300 -0.429 0.000 1.024 126 V CB -1.093 30.038 31.823 -1.154 0.000 0.648 126 V HN 0.785 nan 8.190 nan 0.000 0.447 127 W N 0.740 121.922 121.300 -0.197 0.000 2.388 127 W HA -0.164 4.496 4.660 0.000 0.000 0.294 127 W C 2.938 179.525 176.519 0.114 0.000 1.212 127 W CA 1.479 58.761 57.345 -0.106 0.000 1.271 127 W CB -0.469 28.779 29.460 -0.354 0.000 1.126 127 W HN 0.363 nan 8.180 nan 0.000 0.535 128 S N -1.024 114.855 115.700 0.298 0.000 2.402 128 S HA -0.232 4.238 4.470 0.000 0.000 0.229 128 S C 1.668 176.426 174.600 0.262 0.000 1.021 128 S CA 0.838 59.193 58.200 0.258 0.000 0.974 128 S CB -1.203 62.120 63.200 0.205 0.000 0.800 128 S HN 0.486 nan 8.310 nan 0.000 0.484 129 W N 0.911 122.291 121.300 0.132 0.000 2.388 129 W HA -0.074 4.586 4.660 0.000 0.000 0.294 129 W C 1.878 178.549 176.519 0.254 0.000 1.212 129 W CA 0.930 58.356 57.345 0.136 0.000 1.271 129 W CB -0.447 29.072 29.460 0.099 0.000 1.126 129 W HN 0.514 nan 8.180 nan 0.000 0.535 130 W N 1.557 123.064 121.300 0.345 0.000 2.358 130 W HA -0.076 4.584 4.660 0.000 0.000 0.303 130 W C 2.448 179.059 176.519 0.154 0.000 1.208 130 W CA 3.180 60.710 57.345 0.309 0.000 1.274 130 W CB -0.860 28.590 29.460 -0.017 0.000 1.138 130 W HN -0.124 nan 8.180 nan 0.000 0.515 131 G N 0.363 109.256 108.800 0.154 0.000 2.422 131 G HA2 -0.309 3.651 3.960 0.000 0.000 0.218 131 G HA3 -0.309 3.651 3.960 0.000 0.000 0.218 131 G C 1.612 176.363 174.900 -0.249 0.000 1.146 131 G CA 1.013 46.047 45.100 -0.109 0.000 0.769 131 G HN 0.333 nan 8.290 nan 0.000 0.547 132 R N 0.464 120.808 120.500 -0.261 0.000 2.081 132 R HA -0.107 4.233 4.340 0.000 0.000 0.235 132 R C 2.844 178.848 176.300 -0.494 0.000 1.131 132 R CA 2.074 57.931 56.100 -0.406 0.000 0.960 132 R CB -0.608 29.322 30.300 -0.616 0.000 0.856 132 R HN 0.460 nan 8.270 nan 0.000 0.436 133 T N -2.054 112.184 114.554 -0.526 0.000 2.867 133 T HA -0.197 4.153 4.350 0.000 0.000 0.268 133 T C 1.774 176.195 174.700 -0.465 0.000 1.057 133 T CA 1.111 62.930 62.100 -0.470 0.000 1.136 133 T CB -0.489 68.170 68.868 -0.349 0.000 0.874 133 T HN 0.418 nan 8.240 nan 0.000 0.466 134 Y N 1.683 121.577 120.300 -0.678 0.000 2.184 134 Y HA 0.230 4.780 4.550 0.000 0.000 0.290 134 Y C 2.132 177.756 175.900 -0.460 0.000 1.129 134 Y CA 0.887 58.590 58.100 -0.661 0.000 1.144 134 Y CB -0.304 37.639 38.460 -0.861 0.000 0.995 134 Y HN 0.128 nan 8.280 nan 0.000 0.513 135 L N -0.249 120.870 121.223 -0.172 0.000 2.056 135 L HA -0.208 4.132 4.340 0.000 0.000 0.207 135 L C 2.519 179.196 176.870 -0.320 0.000 1.078 135 L CA 1.091 55.822 54.840 -0.182 0.000 0.749 135 L CB -0.527 41.444 42.059 -0.147 0.000 0.901 135 L HN 0.110 nan 8.230 nan 0.000 0.433 136 R N 0.260 120.523 120.500 -0.395 0.000 2.152 136 R HA -0.106 4.234 4.340 0.000 0.000 0.232 136 R C 2.183 178.264 176.300 -0.366 0.000 1.117 136 R CA 1.379 57.215 56.100 -0.439 0.000 0.981 136 R CB -0.742 29.291 30.300 -0.445 0.000 0.870 136 R HN 0.384 nan 8.270 nan 0.000 0.451 137 A N 0.786 123.375 122.820 -0.385 0.000 1.898 137 A HA -0.140 4.180 4.320 0.000 0.000 0.214 137 A C 2.171 179.545 177.584 -0.349 0.000 1.183 137 A CA 0.918 52.735 52.037 -0.367 0.000 0.622 137 A CB -0.350 18.383 19.000 -0.445 0.000 0.824 137 A HN 0.323 nan 8.150 nan 0.000 0.444 138 Q N -0.309 119.254 119.800 -0.395 0.000 2.124 138 Q HA -0.130 4.210 4.340 0.000 0.000 0.202 138 Q C 2.029 177.905 176.000 -0.207 0.000 0.977 138 Q CA 1.506 57.127 55.803 -0.303 0.000 0.850 138 Q CB -0.313 28.275 28.738 -0.250 0.000 0.901 138 Q HN 0.592 nan 8.270 nan 0.000 0.429 139 A N 0.104 122.793 122.820 -0.218 0.000 2.121 139 A HA -0.043 4.277 4.320 0.000 0.000 0.218 139 A C 1.645 179.135 177.584 -0.156 0.000 1.154 139 A CA 0.743 52.673 52.037 -0.179 0.000 0.679 139 A CB -0.137 18.727 19.000 -0.227 0.000 0.795 139 A HN 0.433 nan 8.150 nan 0.000 0.458 140 L N -1.606 119.512 121.223 -0.175 0.000 2.640 140 L HA 0.270 4.610 4.340 0.000 0.000 0.230 140 L C 1.576 178.370 176.870 -0.127 0.000 1.123 140 L CA 0.462 55.217 54.840 -0.143 0.000 0.900 140 L CB 0.154 42.120 42.059 -0.155 0.000 1.146 140 L HN 0.495 nan 8.230 nan 0.000 0.484 141 G N 0.393 109.111 108.800 -0.136 0.000 2.155 141 G HA2 -0.321 3.639 3.960 0.000 0.000 0.257 141 G HA3 -0.321 3.639 3.960 0.000 0.000 0.257 141 G C 0.324 175.151 174.900 -0.122 0.000 0.983 141 G CA 0.366 45.397 45.100 -0.116 0.000 0.676 141 G HN 0.280 nan 8.290 nan 0.000 0.528 142 M N 0.325 119.832 119.600 -0.155 0.000 2.197 142 M HA 0.523 5.003 4.480 0.000 0.000 0.305 142 M C 1.448 177.653 176.300 -0.159 0.000 1.162 142 M CA 0.161 55.373 55.300 -0.146 0.000 1.099 142 M CB 0.495 32.998 32.600 -0.162 0.000 1.430 142 M HN 0.202 nan 8.290 nan 0.000 0.481 143 G N 0.390 109.144 108.800 -0.077 0.000 2.634 143 G HA2 0.172 4.132 3.960 0.000 0.000 0.255 143 G HA3 0.172 4.132 3.960 0.000 0.000 0.255 143 G C 0.199 175.000 174.900 -0.165 0.000 1.205 143 G CA -0.587 44.507 45.100 -0.011 0.000 0.884 143 G HN 0.620 nan 8.290 nan 0.000 0.549 144 K N -0.117 120.056 120.400 -0.379 0.000 2.500 144 K HA 0.102 4.422 4.320 0.000 0.000 0.206 144 K C 1.384 177.564 176.600 -0.699 0.000 1.034 144 K CA -0.141 55.710 56.287 -0.726 0.000 1.179 144 K CB -0.100 31.728 32.500 -1.119 0.000 0.884 144 K HN 0.601 nan 8.250 nan 0.000 0.493 145 H N 0.346 119.223 119.070 -0.321 0.000 2.390 145 H HA -0.109 4.447 4.556 0.000 0.000 0.298 145 H C 1.676 176.935 175.328 -0.115 0.000 1.106 145 H CA 2.081 58.048 56.048 -0.134 0.000 1.297 145 H CB -0.268 29.444 29.762 -0.083 0.000 1.375 145 H HN 0.095 nan 8.280 nan 0.000 0.509 146 T N -0.058 114.457 114.554 -0.064 0.000 2.777 146 T HA -0.086 4.264 4.350 0.000 0.000 0.266 146 T C 2.378 177.083 174.700 0.008 0.000 1.040 146 T CA 1.148 63.218 62.100 -0.051 0.000 1.141 146 T CB -0.454 68.337 68.868 -0.128 0.000 0.868 146 T HN 0.529 nan 8.240 nan 0.000 0.444 147 A N 0.391 123.114 122.820 -0.161 0.000 1.933 147 A HA -0.069 4.251 4.320 0.000 0.000 0.218 147 A C 2.144 180.031 177.584 0.504 0.000 1.175 147 A CA 1.083 53.082 52.037 -0.064 0.000 0.628 147 A CB -1.054 17.614 19.000 -0.554 0.000 0.814 147 A HN 0.730 nan 8.150 nan 0.000 0.444 148 W N -0.584 120.860 121.300 0.241 0.000 2.407 148 W HA -0.024 4.636 4.660 0.000 0.000 0.305 148 W C 2.788 179.376 176.519 0.114 0.000 1.196 148 W CA 0.458 57.907 57.345 0.174 0.000 1.311 148 W CB -0.077 29.382 29.460 -0.002 0.000 1.135 148 W HN 0.399 nan 8.180 nan 0.000 0.514 149 A N 0.191 123.200 122.820 0.315 0.000 1.933 149 A HA -0.250 4.070 4.320 0.000 0.000 0.218 149 A C 1.732 179.495 177.584 0.299 0.000 1.175 149 A CA 1.386 53.529 52.037 0.176 0.000 0.628 149 A CB -1.169 17.885 19.000 0.091 0.000 0.814 149 A HN 0.347 nan 8.150 nan 0.000 0.444 150 F N 0.533 120.601 119.950 0.198 0.000 2.171 150 F HA -0.098 4.429 4.527 0.000 0.000 0.300 150 F C 1.895 177.830 175.800 0.225 0.000 1.090 150 F CA 0.923 59.053 58.000 0.217 0.000 1.293 150 F CB -0.661 38.511 39.000 0.287 0.000 1.013 150 F HN 0.155 nan 8.300 nan 0.000 0.486 151 L N -0.799 120.611 121.223 0.310 0.000 2.079 151 L HA -0.279 4.061 4.340 0.000 0.000 0.210 151 L C 2.755 179.666 176.870 0.068 0.000 1.081 151 L CA 1.746 56.606 54.840 0.034 0.000 0.752 151 L CB -0.797 41.362 42.059 0.167 0.000 0.896 151 L HN 0.232 nan 8.230 nan 0.000 0.433 152 S N -0.616 115.165 115.700 0.135 0.000 2.368 152 S HA -0.194 4.276 4.470 0.000 0.000 0.225 152 S C 2.061 176.796 174.600 0.226 0.000 1.030 152 S CA 1.308 59.600 58.200 0.153 0.000 0.999 152 S CB -0.032 63.224 63.200 0.095 0.000 0.844 152 S HN 0.492 nan 8.310 nan 0.000 0.459 153 A N 1.236 124.174 122.820 0.196 0.000 1.898 153 A HA 0.068 4.388 4.320 0.000 0.000 0.216 153 A C 2.117 179.788 177.584 0.146 0.000 1.181 153 A CA 1.358 53.511 52.037 0.193 0.000 0.620 153 A CB -0.762 18.389 19.000 0.253 0.000 0.819 153 A HN 0.612 nan 8.150 nan 0.000 0.442 154 I N -1.196 119.368 120.570 -0.011 0.000 2.264 154 I HA -0.300 3.870 4.170 0.000 0.000 0.248 154 I C 2.486 178.727 176.117 0.207 0.000 1.111 154 I CA 1.454 62.712 61.300 -0.070 0.000 1.382 154 I CB -0.320 37.311 38.000 -0.615 0.000 1.060 154 I HN 0.765 nan 8.210 nan 0.000 0.418 155 W N 1.739 123.044 121.300 0.008 0.000 2.317 155 W HA -0.276 4.384 4.660 0.000 0.000 0.318 155 W C 2.266 178.831 176.519 0.077 0.000 1.227 155 W CA 1.454 58.825 57.345 0.043 0.000 1.269 155 W CB -0.424 29.048 29.460 0.020 0.000 1.155 155 W HN 0.139 nan 8.180 nan 0.000 0.484 156 L N 0.360 121.575 121.223 -0.013 0.000 2.012 156 L HA -0.236 4.104 4.340 0.000 0.000 0.210 156 L C 2.501 179.339 176.870 -0.053 0.000 1.073 156 L CA 2.615 57.369 54.840 -0.143 0.000 0.748 156 L CB -1.146 40.940 42.059 0.045 0.000 0.891 156 L HN 0.232 nan 8.230 nan 0.000 0.431 157 W N 0.410 121.658 121.300 -0.086 0.000 2.355 157 W HA -0.263 4.397 4.660 0.000 0.000 0.309 157 W C 2.397 178.949 176.519 0.055 0.000 1.206 157 W CA 1.362 58.686 57.345 -0.035 0.000 1.284 157 W CB -0.240 29.187 29.460 -0.055 0.000 1.145 157 W HN 0.055 nan 8.180 nan 0.000 0.502 158 M N 0.206 119.679 119.600 -0.212 0.000 2.086 158 M HA -0.182 4.298 4.480 0.000 0.000 0.261 158 M C 1.962 178.159 176.300 -0.171 0.000 1.067 158 M CA 1.531 56.666 55.300 -0.275 0.000 1.116 158 M CB -1.648 30.943 32.600 -0.016 0.000 1.348 158 M HN -0.022 nan 8.290 nan 0.000 0.407 159 V N 0.645 120.364 119.914 -0.324 0.000 2.287 159 V HA -0.281 3.839 4.120 0.000 0.000 0.248 159 V C 2.539 178.522 176.094 -0.184 0.000 1.053 159 V CA 1.564 63.653 62.300 -0.352 0.000 1.027 159 V CB -0.720 30.729 31.823 -0.624 0.000 0.646 159 V HN 0.400 nan 8.190 nan 0.000 0.447 160 L N 0.184 121.295 121.223 -0.187 0.000 2.017 160 L HA -0.089 4.252 4.340 0.000 0.000 0.208 160 L C 2.288 179.064 176.870 -0.157 0.000 1.073 160 L CA 1.909 56.661 54.840 -0.147 0.000 0.745 160 L CB -0.739 41.215 42.059 -0.174 0.000 0.894 160 L HN 0.494 nan 8.230 nan 0.000 0.432 161 G N -2.861 105.787 108.800 -0.254 0.000 3.159 161 G HA2 0.123 4.083 3.960 0.000 0.000 0.232 161 G HA3 0.123 4.083 3.960 0.000 0.000 0.232 161 G C 0.754 175.293 174.900 -0.602 0.000 1.116 161 G CA -0.082 44.782 45.100 -0.393 0.000 0.767 161 G HN 0.210 nan 8.290 nan 0.000 0.547 162 F N -0.569 119.391 119.950 0.017 0.000 2.102 162 F HA 0.352 4.880 4.527 0.000 0.000 0.254 162 F C 2.216 178.058 175.800 0.071 0.000 0.975 162 F CA -0.255 57.833 58.000 0.146 0.000 1.176 162 F CB -0.141 38.891 39.000 0.053 0.000 1.358 162 F HN -0.079 nan 8.300 nan 0.000 0.728 163 I N 0.694 121.379 120.570 0.190 0.000 2.142 163 I HA -0.272 3.898 4.170 0.000 0.000 0.240 163 I C 2.576 178.709 176.117 0.027 0.000 1.078 163 I CA 1.697 63.045 61.300 0.079 0.000 1.343 163 I CB -0.460 37.548 38.000 0.013 0.000 1.046 163 I HN 0.122 nan 8.210 nan 0.000 0.405 164 R N 1.019 121.524 120.500 0.008 0.000 2.073 164 R HA -0.129 4.211 4.340 0.000 0.000 0.234 164 R C -0.392 175.927 176.300 0.032 0.000 1.134 164 R CA 1.673 57.791 56.100 0.030 0.000 0.952 164 R CB -1.088 29.251 30.300 0.066 0.000 0.850 164 R HN 0.198 nan 8.270 nan 0.000 0.433 165 P HA -0.150 nan 4.420 nan 0.000 0.216 165 P C 1.035 178.229 177.300 -0.176 0.000 1.150 165 P CA 1.388 64.478 63.100 -0.017 0.000 0.837 165 P CB 0.005 31.749 31.700 0.074 0.000 0.786 166 I N -1.481 118.980 120.570 -0.182 0.000 2.202 166 I HA -0.194 3.976 4.170 0.000 0.000 0.242 166 I C 2.212 178.243 176.117 -0.143 0.000 1.091 166 I CA 1.195 62.348 61.300 -0.244 0.000 1.368 166 I CB -0.587 37.331 38.000 -0.136 0.000 1.058 166 I HN -0.117 nan 8.210 nan 0.000 0.410 167 L N -0.172 121.011 121.223 -0.067 0.000 2.187 167 L HA -0.188 4.152 4.340 0.000 0.000 0.213 167 L C 2.077 178.918 176.870 -0.049 0.000 1.100 167 L CA 1.302 56.118 54.840 -0.040 0.000 0.765 167 L CB -0.280 41.776 42.059 -0.005 0.000 0.904 167 L HN 0.344 nan 8.230 nan 0.000 0.437 168 M N -0.867 118.698 119.600 -0.057 0.000 2.419 168 M HA 0.198 4.678 4.480 0.000 0.000 0.252 168 M C 1.073 177.316 176.300 -0.094 0.000 1.143 168 M CA 0.201 55.469 55.300 -0.052 0.000 0.985 168 M CB 0.491 33.084 32.600 -0.011 0.000 1.489 168 M HN 0.287 nan 8.290 nan 0.000 0.484 169 G N 1.919 110.631 108.800 -0.146 0.000 2.341 169 G HA2 -0.252 3.708 3.960 0.000 0.000 0.292 169 G HA3 -0.252 3.708 3.960 0.000 0.000 0.292 169 G C -0.037 174.728 174.900 -0.225 0.000 1.021 169 G CA 0.744 45.727 45.100 -0.195 0.000 0.905 169 G HN 0.528 nan 8.290 nan 0.000 0.508 170 S N -2.047 113.493 115.700 -0.267 0.000 2.605 170 S HA 0.395 4.865 4.470 0.000 0.000 0.279 170 S C 0.532 175.023 174.600 -0.181 0.000 1.166 170 S CA 0.028 58.100 58.200 -0.212 0.000 0.975 170 S CB 0.334 63.483 63.200 -0.085 0.000 1.111 170 S HN 0.361 nan 8.310 nan 0.000 0.465 171 W N 2.807 124.079 121.300 -0.047 0.000 2.465 171 W HA -0.048 4.612 4.660 0.000 0.000 0.268 171 W C 2.512 178.866 176.519 -0.275 0.000 1.242 171 W CA 0.732 57.997 57.345 -0.134 0.000 1.248 171 W CB 0.064 29.454 29.460 -0.116 0.000 1.118 171 W HN 0.885 nan 8.180 nan 0.000 0.587 172 S N -0.186 115.533 115.700 0.032 0.000 2.500 172 S HA -0.150 4.320 4.470 0.000 0.000 0.239 172 S C 1.402 176.029 174.600 0.045 0.000 0.989 172 S CA 1.012 59.197 58.200 -0.025 0.000 0.951 172 S CB -0.216 62.994 63.200 0.017 0.000 0.759 172 S HN 0.206 nan 8.310 nan 0.000 0.523 173 E N 1.477 121.730 120.200 0.089 0.000 2.435 173 E HA 0.327 4.677 4.350 0.000 0.000 0.195 173 E C 1.041 177.844 176.600 0.340 0.000 1.029 173 E CA 0.484 57.014 56.400 0.217 0.000 0.865 173 E CB -0.178 29.620 29.700 0.164 0.000 0.833 173 E HN 0.727 nan 8.360 nan 0.000 0.510 174 A N 0.897 123.796 122.820 0.132 0.000 2.296 174 A HA 0.318 4.638 4.320 0.000 0.000 0.264 174 A C 0.351 177.825 177.584 -0.183 0.000 1.097 174 A CA -0.455 51.599 52.037 0.028 0.000 0.811 174 A CB 0.599 19.657 19.000 0.097 0.000 1.072 174 A HN -0.047 nan 8.150 nan 0.000 0.495 175 V N 2.655 122.270 119.914 -0.499 0.000 2.530 175 V HA 0.303 4.423 4.120 0.000 0.000 0.282 175 V C -1.779 174.120 176.094 -0.325 0.000 1.048 175 V CA -1.075 60.698 62.300 -0.878 0.000 0.997 175 V CB 0.824 32.055 31.823 -0.986 0.000 0.987 175 V HN 0.868 nan 8.190 nan 0.000 0.477 176 P HA 0.200 nan 4.420 nan 0.000 0.276 176 P C -1.397 175.899 177.300 -0.007 0.000 1.252 176 P CA -0.406 62.711 63.100 0.029 0.000 0.802 176 P CB 0.588 32.369 31.700 0.134 0.000 1.035 177 Y N 0.302 120.829 120.300 0.378 0.000 2.594 177 Y HA 0.574 5.124 4.550 0.000 0.000 0.342 177 Y C 1.244 177.361 175.900 0.362 0.000 1.010 177 Y CA 0.389 58.657 58.100 0.279 0.000 1.270 177 Y CB 0.391 38.954 38.460 0.171 0.000 1.125 177 Y HN 0.526 nan 8.280 nan 0.000 0.513 178 G N 2.035 111.082 108.800 0.412 0.000 2.733 178 G HA2 0.324 4.284 3.960 0.000 0.000 0.297 178 G HA3 0.324 4.284 3.960 0.000 0.000 0.297 178 G C -0.014 175.083 174.900 0.329 0.000 1.452 178 G CA -0.741 44.611 45.100 0.420 0.000 0.940 178 G HN 0.240 nan 8.290 nan 0.000 0.547 179 I N 1.119 121.843 120.570 0.256 0.000 2.076 179 I HA -0.063 4.107 4.170 0.000 0.000 0.237 179 I C 2.439 178.806 176.117 0.416 0.000 1.059 179 I CA 1.496 62.951 61.300 0.258 0.000 1.317 179 I CB -0.950 37.116 38.000 0.110 0.000 1.037 179 I HN 0.459 nan 8.210 nan 0.000 0.398 180 F N 1.575 121.589 119.950 0.107 0.000 2.234 180 F HA -0.091 4.436 4.527 0.000 0.000 0.296 180 F C 2.972 178.820 175.800 0.079 0.000 1.089 180 F CA 1.020 59.016 58.000 -0.006 0.000 1.343 180 F CB -1.582 37.280 39.000 -0.230 0.000 1.040 180 F HN 0.176 nan 8.300 nan 0.000 0.498 181 S N 0.149 116.051 115.700 0.336 0.000 2.370 181 S HA -0.266 4.204 4.470 0.000 0.000 0.226 181 S C 2.097 176.898 174.600 0.335 0.000 1.033 181 S CA 1.611 59.987 58.200 0.294 0.000 1.011 181 S CB -1.316 62.051 63.200 0.278 0.000 0.852 181 S HN 0.644 nan 8.310 nan 0.000 0.457 182 H N 1.902 121.106 119.070 0.224 0.000 2.521 182 H HA 0.167 4.723 4.556 0.000 0.000 0.286 182 H C 1.828 177.313 175.328 0.262 0.000 1.034 182 H CA 1.105 57.276 56.048 0.206 0.000 1.278 182 H CB -0.481 29.356 29.762 0.125 0.000 1.386 182 H HN 0.444 nan 8.280 nan 0.000 0.567 183 L N 0.494 121.662 121.223 -0.092 0.000 2.131 183 L HA -0.085 4.255 4.340 0.000 0.000 0.206 183 L C 2.188 179.081 176.870 0.039 0.000 1.087 183 L CA 0.973 55.731 54.840 -0.137 0.000 0.767 183 L CB -0.226 41.785 42.059 -0.080 0.000 0.917 183 L HN 0.127 nan 8.230 nan 0.000 0.441 184 D N -0.458 120.007 120.400 0.108 0.000 2.117 184 D HA -0.238 4.402 4.640 0.000 0.000 0.197 184 D C 1.756 178.155 176.300 0.164 0.000 0.987 184 D CA 1.163 55.227 54.000 0.107 0.000 0.829 184 D CB -0.226 40.646 40.800 0.120 0.000 0.961 184 D HN 0.403 nan 8.370 nan 0.000 0.460 185 W N 1.859 123.196 121.300 0.061 0.000 2.338 185 W HA -0.228 4.432 4.660 0.000 0.000 0.304 185 W C 2.219 178.801 176.519 0.105 0.000 1.212 185 W CA 2.178 59.580 57.345 0.095 0.000 1.264 185 W CB -0.349 29.180 29.460 0.114 0.000 1.142 185 W HN -0.153 nan 8.180 nan 0.000 0.512 186 T N 0.435 115.251 114.554 0.437 0.000 2.708 186 T HA -0.299 4.051 4.350 0.000 0.000 0.266 186 T C 1.429 176.155 174.700 0.043 0.000 1.037 186 T CA 1.810 64.065 62.100 0.257 0.000 1.146 186 T CB -0.730 68.253 68.868 0.192 0.000 0.865 186 T HN 0.254 nan 8.240 nan 0.000 0.435 187 N N 1.533 120.246 118.700 0.022 0.000 2.084 187 N HA -0.120 4.620 4.740 0.000 0.000 0.190 187 N C 1.707 177.187 175.510 -0.050 0.000 1.030 187 N CA 1.713 54.748 53.050 -0.026 0.000 0.849 187 N CB -0.588 37.884 38.487 -0.026 0.000 1.012 187 N HN 0.314 nan 8.380 nan 0.000 0.423 188 N N -0.819 117.840 118.700 -0.068 0.000 2.104 188 N HA -0.177 4.563 4.740 0.000 0.000 0.190 188 N C 1.575 176.989 175.510 -0.159 0.000 1.024 188 N CA 1.192 54.172 53.050 -0.117 0.000 0.853 188 N CB -0.525 37.882 38.487 -0.133 0.000 1.008 188 N HN 0.318 nan 8.380 nan 0.000 0.424 189 F N 0.501 120.201 119.950 -0.416 0.000 2.126 189 F HA -0.172 4.355 4.527 0.000 0.000 0.299 189 F C 2.713 178.470 175.800 -0.072 0.000 1.096 189 F CA 1.702 59.474 58.000 -0.381 0.000 1.255 189 F CB -0.873 37.668 39.000 -0.766 0.000 0.997 189 F HN 0.070 nan 8.300 nan 0.000 0.479 190 S N -0.043 115.720 115.700 0.104 0.000 2.348 190 S HA -0.152 4.318 4.470 0.000 0.000 0.221 190 S C 2.034 176.625 174.600 -0.015 0.000 1.033 190 S CA 1.296 59.518 58.200 0.037 0.000 1.010 190 S CB -0.596 62.545 63.200 -0.098 0.000 0.891 190 S HN 0.262 nan 8.310 nan 0.000 0.442 191 L N 1.730 122.917 121.223 -0.060 0.000 1.990 191 L HA -0.074 4.266 4.340 0.000 0.000 0.213 191 L C 2.557 179.361 176.870 -0.110 0.000 1.072 191 L CA 1.601 56.398 54.840 -0.072 0.000 0.755 191 L CB -1.381 40.630 42.059 -0.081 0.000 0.889 191 L HN 0.214 nan 8.230 nan 0.000 0.432 192 V N -1.299 118.499 119.914 -0.193 0.000 2.720 192 V HA -0.257 3.863 4.120 0.000 0.000 0.256 192 V C 1.432 177.220 176.094 -0.510 0.000 1.082 192 V CA 1.462 63.553 62.300 -0.348 0.000 1.101 192 V CB -0.890 30.663 31.823 -0.450 0.000 0.693 192 V HN 0.559 nan 8.190 nan 0.000 0.479 193 H N -0.548 118.380 119.070 -0.236 0.000 2.487 193 H HA 0.449 5.005 4.556 0.000 0.000 0.290 193 H C 1.474 176.833 175.328 0.053 0.000 1.081 193 H CA 0.403 56.363 56.048 -0.147 0.000 1.116 193 H CB 0.116 29.774 29.762 -0.172 0.000 1.560 193 H HN 0.374 nan 8.280 nan 0.000 0.548 194 G N 1.777 110.634 108.800 0.096 0.000 2.225 194 G HA2 -0.347 3.613 3.960 0.000 0.000 0.264 194 G HA3 -0.347 3.613 3.960 0.000 0.000 0.264 194 G C -0.428 174.672 174.900 0.332 0.000 1.060 194 G CA 0.168 45.382 45.100 0.190 0.000 0.833 194 G HN 0.641 nan 8.290 nan 0.000 0.498 195 N N -1.740 117.089 118.700 0.215 0.000 3.779 195 N HA -0.142 4.598 4.740 0.000 0.000 0.279 195 N C 0.970 176.558 175.510 0.130 0.000 2.052 195 N CA 0.776 53.911 53.050 0.141 0.000 2.429 195 N CB -0.990 37.652 38.487 0.258 0.000 0.554 195 N HN 0.460 nan 8.380 nan 0.000 0.551 196 L N 2.913 124.040 121.223 -0.159 0.000 2.456 196 L HA -0.059 4.281 4.340 0.000 0.000 0.224 196 L C 1.600 178.284 176.870 -0.310 0.000 1.148 196 L CA 0.618 55.250 54.840 -0.346 0.000 0.825 196 L CB -0.319 41.318 42.059 -0.703 0.000 0.937 196 L HN 0.436 nan 8.230 nan 0.000 0.450 197 F N -1.156 118.666 119.950 -0.214 0.000 2.494 197 F HA -0.174 4.353 4.527 0.000 0.000 0.298 197 F C 1.738 177.413 175.800 -0.210 0.000 1.106 197 F CA 0.704 58.594 58.000 -0.182 0.000 1.452 197 F CB -0.669 38.162 39.000 -0.282 0.000 1.085 197 F HN 0.094 nan 8.300 nan 0.000 0.569 198 Y N -1.458 118.989 120.300 0.246 0.000 2.462 198 Y HA 0.122 4.672 4.550 0.000 0.000 0.261 198 Y C 1.107 177.066 175.900 0.098 0.000 1.146 198 Y CA -0.563 57.699 58.100 0.271 0.000 1.283 198 Y CB -0.469 38.250 38.460 0.432 0.000 1.090 198 Y HN -0.169 nan 8.280 nan 0.000 0.526 199 N N 3.058 121.637 118.700 -0.201 0.000 2.405 199 N HA 0.024 4.764 4.740 0.000 0.000 0.260 199 N C -1.728 173.509 175.510 -0.456 0.000 1.152 199 N CA -1.701 50.740 53.050 -1.014 0.000 0.948 199 N CB 1.223 38.860 38.487 -1.417 0.000 1.111 199 N HN 0.043 nan 8.380 nan 0.000 0.485 200 P HA -0.157 nan 4.420 nan 0.000 0.216 200 P C 1.112 178.229 177.300 -0.305 0.000 1.150 200 P CA 1.298 64.234 63.100 -0.274 0.000 0.843 200 P CB 0.003 31.517 31.700 -0.310 0.000 0.787 201 F N -0.968 118.845 119.950 -0.228 0.000 2.407 201 F HA -0.083 4.444 4.527 0.000 0.000 0.299 201 F C 2.805 178.576 175.800 -0.048 0.000 1.097 201 F CA 0.952 58.896 58.000 -0.094 0.000 1.422 201 F CB -1.134 37.815 39.000 -0.085 0.000 1.067 201 F HN 0.111 nan 8.300 nan 0.000 0.539 202 H N -0.388 118.647 119.070 -0.059 0.000 2.395 202 H HA -0.027 4.529 4.556 0.000 0.000 0.299 202 H C 2.371 177.683 175.328 -0.026 0.000 1.070 202 H CA 1.295 57.316 56.048 -0.045 0.000 1.356 202 H CB -0.267 29.428 29.762 -0.112 0.000 1.401 202 H HN 0.319 nan 8.280 nan 0.000 0.524 203 G N 1.145 109.938 108.800 -0.011 0.000 2.418 203 G HA2 -0.181 3.779 3.960 0.000 0.000 0.217 203 G HA3 -0.181 3.779 3.960 0.000 0.000 0.217 203 G C 1.975 176.782 174.900 -0.155 0.000 1.158 203 G CA 0.563 45.615 45.100 -0.080 0.000 0.771 203 G HN 0.319 nan 8.290 nan 0.000 0.545 204 L N 0.442 121.604 121.223 -0.102 0.000 2.027 204 L HA -0.071 4.269 4.340 0.000 0.000 0.206 204 L C 3.097 179.948 176.870 -0.031 0.000 1.074 204 L CA 1.263 56.041 54.840 -0.103 0.000 0.745 204 L CB -0.531 41.588 42.059 0.099 0.000 0.898 204 L HN 0.328 nan 8.230 nan 0.000 0.433 205 S N 0.185 115.939 115.700 0.090 0.000 2.374 205 S HA -0.203 4.267 4.470 0.000 0.000 0.227 205 S C 1.953 176.517 174.600 -0.061 0.000 1.037 205 S CA 1.408 59.681 58.200 0.122 0.000 1.024 205 S CB -0.259 62.963 63.200 0.037 0.000 0.861 205 S HN 0.294 nan 8.310 nan 0.000 0.456 206 I N 1.178 121.576 120.570 -0.287 0.000 2.315 206 I HA -0.127 4.043 4.170 0.000 0.000 0.248 206 I C 2.740 178.540 176.117 -0.528 0.000 1.117 206 I CA 0.954 61.952 61.300 -0.503 0.000 1.404 206 I CB -0.540 37.100 38.000 -0.601 0.000 1.071 206 I HN 0.369 nan 8.210 nan 0.000 0.419 207 A N 0.978 123.559 122.820 -0.399 0.000 1.908 207 A HA -0.216 4.104 4.320 0.000 0.000 0.218 207 A C 1.991 179.407 177.584 -0.280 0.000 1.181 207 A CA 1.725 53.540 52.037 -0.371 0.000 0.627 207 A CB -0.894 17.785 19.000 -0.535 0.000 0.818 207 A HN 0.353 nan 8.150 nan 0.000 0.445 208 F N -1.003 118.951 119.950 0.007 0.000 2.293 208 F HA 0.018 4.545 4.527 0.000 0.000 0.297 208 F C 1.944 177.788 175.800 0.073 0.000 1.089 208 F CA 0.813 58.854 58.000 0.068 0.000 1.377 208 F CB -0.608 38.446 39.000 0.089 0.000 1.051 208 F HN 0.243 nan 8.300 nan 0.000 0.511 209 L N -0.844 120.477 121.223 0.163 0.000 2.005 209 L HA -0.202 4.138 4.340 0.000 0.000 0.207 209 L C 2.227 179.236 176.870 0.233 0.000 1.072 209 L CA 1.918 56.846 54.840 0.147 0.000 0.744 209 L CB -1.096 40.985 42.059 0.037 0.000 0.895 209 L HN 0.033 nan 8.230 nan 0.000 0.433 210 Y N 0.334 120.678 120.300 0.074 0.000 2.181 210 Y HA -0.048 4.502 4.550 0.000 0.000 0.288 210 Y C 2.601 178.545 175.900 0.072 0.000 1.146 210 Y CA 0.865 58.998 58.100 0.056 0.000 1.164 210 Y CB -1.604 36.865 38.460 0.016 0.000 0.982 210 Y HN 0.275 nan 8.280 nan 0.000 0.515 211 G N -1.422 107.526 108.800 0.246 0.000 2.448 211 G HA2 -0.193 3.767 3.960 0.000 0.000 0.219 211 G HA3 -0.193 3.767 3.960 0.000 0.000 0.219 211 G C 1.881 176.898 174.900 0.194 0.000 1.127 211 G CA 1.170 46.384 45.100 0.190 0.000 0.766 211 G HN 0.384 nan 8.290 nan 0.000 0.552 212 S N 0.601 116.434 115.700 0.222 0.000 2.414 212 S HA 0.149 4.619 4.470 0.000 0.000 0.227 212 S C 2.682 177.416 174.600 0.223 0.000 1.022 212 S CA 0.847 59.168 58.200 0.203 0.000 0.958 212 S CB -0.080 63.243 63.200 0.205 0.000 0.797 212 S HN 0.547 nan 8.310 nan 0.000 0.493 213 A N 1.261 124.210 122.820 0.215 0.000 1.970 213 A HA 0.100 4.420 4.320 0.000 0.000 0.216 213 A C 2.048 179.730 177.584 0.163 0.000 1.170 213 A CA 0.857 53.011 52.037 0.195 0.000 0.645 213 A CB -0.518 18.578 19.000 0.160 0.000 0.816 213 A HN 0.424 nan 8.150 nan 0.000 0.447 214 L N -0.708 120.597 121.223 0.137 0.000 2.005 214 L HA -0.070 4.270 4.340 0.000 0.000 0.207 214 L C 2.173 179.092 176.870 0.081 0.000 1.072 214 L CA 2.056 56.952 54.840 0.094 0.000 0.744 214 L CB -0.647 41.457 42.059 0.075 0.000 0.895 214 L HN 0.273 nan 8.230 nan 0.000 0.433 215 L N -1.423 119.844 121.223 0.074 0.000 2.093 215 L HA -0.151 4.189 4.340 0.000 0.000 0.208 215 L C 2.245 179.198 176.870 0.138 0.000 1.085 215 L CA 1.651 56.500 54.840 0.015 0.000 0.755 215 L CB -0.867 41.183 42.059 -0.015 0.000 0.904 215 L HN 0.318 nan 8.230 nan 0.000 0.435 216 F N -0.143 119.839 119.950 0.053 0.000 2.259 216 F HA 0.050 4.577 4.527 0.000 0.000 0.298 216 F C 2.346 178.187 175.800 0.069 0.000 1.088 216 F CA 0.551 58.603 58.000 0.086 0.000 1.358 216 F CB -0.906 38.148 39.000 0.090 0.000 1.040 216 F HN 0.174 nan 8.300 nan 0.000 0.505 217 A N -0.011 122.953 122.820 0.241 0.000 1.873 217 A HA -0.207 4.113 4.320 0.000 0.000 0.215 217 A C 2.335 180.002 177.584 0.138 0.000 1.186 217 A CA 1.736 53.844 52.037 0.119 0.000 0.616 217 A CB -0.685 18.370 19.000 0.092 0.000 0.823 217 A HN 0.353 nan 8.150 nan 0.000 0.442 218 M N -1.852 117.840 119.600 0.153 0.000 2.065 218 M HA -0.191 4.289 4.480 0.000 0.000 0.259 218 M C 2.332 178.750 176.300 0.196 0.000 1.071 218 M CA 2.223 57.626 55.300 0.170 0.000 1.109 218 M CB -0.543 32.007 32.600 -0.084 0.000 1.313 218 M HN 0.700 nan 8.290 nan 0.000 0.408 219 H N -0.193 118.918 119.070 0.067 0.000 2.326 219 H HA -0.039 4.517 4.556 0.000 0.000 0.301 219 H C 1.957 177.370 175.328 0.142 0.000 1.081 219 H CA 2.147 58.239 56.048 0.072 0.000 1.334 219 H CB -0.693 29.079 29.762 0.017 0.000 1.385 219 H HN 0.335 nan 8.280 nan 0.000 0.504 220 G N -0.100 108.787 108.800 0.144 0.000 2.440 220 G HA2 -0.274 3.686 3.960 0.000 0.000 0.218 220 G HA3 -0.274 3.686 3.960 0.000 0.000 0.218 220 G C 1.897 176.736 174.900 -0.103 0.000 1.154 220 G CA 1.094 46.172 45.100 -0.038 0.000 0.767 220 G HN 0.621 nan 8.290 nan 0.000 0.552 221 A N 0.035 122.828 122.820 -0.045 0.000 1.930 221 A HA 0.050 4.370 4.320 0.000 0.000 0.217 221 A C 2.523 180.042 177.584 -0.107 0.000 1.175 221 A CA 2.310 54.302 52.037 -0.076 0.000 0.627 221 A CB -0.722 18.256 19.000 -0.037 0.000 0.815 221 A HN 0.296 nan 8.150 nan 0.000 0.443 222 T N 0.477 114.999 114.554 -0.054 0.000 2.737 222 T HA -0.076 4.274 4.350 0.000 0.000 0.265 222 T C 1.796 176.444 174.700 -0.087 0.000 1.038 222 T CA 1.332 63.397 62.100 -0.058 0.000 1.144 222 T CB -0.247 68.716 68.868 0.158 0.000 0.866 222 T HN 0.278 nan 8.240 nan 0.000 0.434 223 I N 1.309 121.791 120.570 -0.146 0.000 2.179 223 I HA -0.077 4.093 4.170 0.000 0.000 0.242 223 I C 2.359 178.415 176.117 -0.102 0.000 1.088 223 I CA 1.227 62.449 61.300 -0.130 0.000 1.357 223 I CB -1.287 36.582 38.000 -0.219 0.000 1.051 223 I HN 0.272 nan 8.210 nan 0.000 0.409 224 L N 0.502 121.645 121.223 -0.134 0.000 2.083 224 L HA -0.180 4.160 4.340 0.000 0.000 0.209 224 L C 2.670 179.462 176.870 -0.131 0.000 1.083 224 L CA 1.319 56.073 54.840 -0.142 0.000 0.752 224 L CB -0.680 41.277 42.059 -0.171 0.000 0.899 224 L HN 0.193 nan 8.230 nan 0.000 0.433 225 A N -0.159 122.585 122.820 -0.126 0.000 2.067 225 A HA -0.083 4.237 4.320 0.000 0.000 0.219 225 A C 1.775 179.336 177.584 -0.038 0.000 1.158 225 A CA 1.556 53.524 52.037 -0.115 0.000 0.661 225 A CB -0.417 18.476 19.000 -0.179 0.000 0.801 225 A HN 0.363 nan 8.150 nan 0.000 0.452 226 V N -2.302 117.618 119.914 0.010 0.000 3.085 226 V HA 0.185 4.305 4.120 0.000 0.000 0.345 226 V C 1.222 177.365 176.094 0.080 0.000 1.397 226 V CA 0.714 63.121 62.300 0.178 0.000 1.165 226 V CB -0.630 31.343 31.823 0.250 0.000 1.153 226 V HN 0.468 nan 8.190 nan 0.000 0.495 227 S N 1.600 117.266 115.700 -0.056 0.000 2.522 227 S HA -0.111 4.359 4.470 0.000 0.000 0.227 227 S C 1.844 176.359 174.600 -0.141 0.000 0.986 227 S CA 0.770 58.931 58.200 -0.067 0.000 0.929 227 S CB -0.574 62.579 63.200 -0.077 0.000 0.769 227 S HN 0.862 nan 8.310 nan 0.000 0.529 228 R N 0.191 120.491 120.500 -0.332 0.000 2.316 228 R HA 0.121 4.461 4.340 0.000 0.000 0.202 228 R C 0.015 175.915 176.300 -0.667 0.000 1.029 228 R CA 0.715 56.497 56.100 -0.529 0.000 1.018 228 R CB -0.586 29.272 30.300 -0.738 0.000 0.888 228 R HN 0.520 nan 8.270 nan 0.000 0.471 229 F N 0.235 120.184 119.950 -0.001 0.000 2.764 229 F HA 0.457 4.984 4.527 0.000 0.000 0.310 229 F C 1.030 176.831 175.800 0.001 0.000 1.124 229 F CA -0.487 57.514 58.000 0.000 0.000 1.252 229 F CB 1.134 40.132 39.000 -0.004 0.000 1.010 229 F HN 0.173 nan 8.300 nan 0.000 0.518 230 G N 0.606 109.457 108.800 0.086 0.000 2.176 230 G HA2 -0.280 3.680 3.960 0.000 0.000 0.252 230 G HA3 -0.280 3.680 3.960 0.000 0.000 0.252 230 G C 1.419 176.363 174.900 0.072 0.000 1.024 230 G CA 0.244 45.382 45.100 0.064 0.000 0.755 230 G HN 0.710 nan 8.290 nan 0.000 0.507 231 G N 1.124 109.975 108.800 0.085 0.000 2.469 231 G HA2 -0.185 3.775 3.960 0.000 0.000 0.219 231 G HA3 -0.185 3.775 3.960 0.000 0.000 0.219 231 G C 1.530 176.460 174.900 0.051 0.000 1.150 231 G CA 1.585 46.732 45.100 0.079 0.000 0.763 231 G HN 0.900 nan 8.290 nan 0.000 0.561 232 E N 0.990 121.203 120.200 0.022 0.000 2.338 232 E HA -0.119 4.231 4.350 0.000 0.000 0.197 232 E C 1.120 177.735 176.600 0.025 0.000 1.007 232 E CA 0.283 56.693 56.400 0.016 0.000 0.849 232 E CB -0.276 29.416 29.700 -0.013 0.000 0.774 232 E HN 0.333 nan 8.360 nan 0.000 0.506 233 R N 1.637 122.152 120.500 0.025 0.000 4.164 233 R HA 0.112 4.452 4.340 0.000 0.000 0.195 233 R C 0.940 177.255 176.300 0.025 0.000 1.712 233 R CA -0.019 56.092 56.100 0.017 0.000 1.457 233 R CB -0.003 30.307 30.300 0.017 0.000 1.387 233 R HN 0.282 nan 8.270 nan 0.000 0.785 234 E N 0.679 120.897 120.200 0.030 0.000 2.077 234 E HA -0.228 4.122 4.350 0.000 0.000 0.193 234 E C 1.363 177.965 176.600 0.003 0.000 0.989 234 E CA 1.094 57.520 56.400 0.043 0.000 0.800 234 E CB -0.004 29.735 29.700 0.065 0.000 0.746 234 E HN 0.469 nan 8.360 nan 0.000 0.452 235 L N 0.765 121.968 121.223 -0.033 0.000 2.042 235 L HA -0.215 4.125 4.340 0.000 0.000 0.210 235 L C 2.572 179.433 176.870 -0.016 0.000 1.076 235 L CA 1.139 55.954 54.840 -0.041 0.000 0.749 235 L CB -0.202 41.823 42.059 -0.056 0.000 0.893 235 L HN 0.084 nan 8.230 nan 0.000 0.432 236 E N -0.479 119.718 120.200 -0.005 0.000 2.152 236 E HA -0.177 4.173 4.350 0.000 0.000 0.192 236 E C 2.212 178.821 176.600 0.014 0.000 0.983 236 E CA 0.842 57.244 56.400 0.003 0.000 0.818 236 E CB 0.061 29.764 29.700 0.006 0.000 0.758 236 E HN 0.285 nan 8.360 nan 0.000 0.467 237 Q N -0.235 119.580 119.800 0.025 0.000 2.224 237 Q HA -0.068 4.272 4.340 0.000 0.000 0.203 237 Q C 2.222 178.243 176.000 0.035 0.000 0.970 237 Q CA 0.900 56.725 55.803 0.036 0.000 0.865 237 Q CB 0.016 28.787 28.738 0.055 0.000 0.922 237 Q HN 0.443 nan 8.270 nan 0.000 0.445 238 I N 0.004 120.592 120.570 0.029 0.000 2.333 238 I HA -0.168 4.002 4.170 0.000 0.000 0.246 238 I C 2.189 178.317 176.117 0.018 0.000 1.106 238 I CA 0.866 62.183 61.300 0.028 0.000 1.411 238 I CB -0.239 37.772 38.000 0.017 0.000 1.082 238 I HN 0.015 nan 8.210 nan 0.000 0.420 239 A N -0.701 122.125 122.820 0.010 0.000 2.016 239 A HA -0.133 4.187 4.320 0.000 0.000 0.217 239 A C 0.731 178.321 177.584 0.010 0.000 1.162 239 A CA 1.314 53.355 52.037 0.007 0.000 0.662 239 A CB -0.080 18.921 19.000 0.000 0.000 0.812 239 A HN 0.388 nan 8.150 nan 0.000 0.450 240 D N -1.131 119.277 120.400 0.013 0.000 2.527 240 D HA 0.151 4.791 4.640 0.000 0.000 0.242 240 D C -0.386 175.923 176.300 0.016 0.000 1.285 240 D CA -0.445 53.563 54.000 0.013 0.000 0.886 240 D CB 0.056 40.862 40.800 0.011 0.000 1.402 240 D HN 0.219 nan 8.370 nan 0.000 0.528 241 R N 1.394 121.904 120.500 0.016 0.000 2.523 241 R HA 0.340 4.680 4.340 0.000 0.000 0.281 241 R C 0.284 176.588 176.300 0.006 0.000 0.969 241 R CA 0.666 56.775 56.100 0.015 0.000 1.093 241 R CB 0.274 30.582 30.300 0.014 0.000 0.917 241 R HN 0.417 nan 8.270 nan 0.000 0.408 242 G N 0.631 109.433 108.800 0.005 0.000 2.735 242 G HA2 0.097 4.057 3.960 0.000 0.000 0.301 242 G HA3 0.097 4.057 3.960 0.000 0.000 0.301 242 G C 0.450 175.320 174.900 -0.050 0.000 1.279 242 G CA -0.322 44.773 45.100 -0.008 0.000 1.019 242 G HN 0.573 nan 8.290 nan 0.000 0.497 243 T N -0.493 114.003 114.554 -0.097 0.000 2.946 243 T HA -0.064 4.286 4.350 0.000 0.000 0.271 243 T C 2.443 176.958 174.700 -0.308 0.000 1.104 243 T CA 2.413 64.376 62.100 -0.229 0.000 1.114 243 T CB -0.464 68.203 68.868 -0.336 0.000 0.867 243 T HN 0.656 nan 8.240 nan 0.000 0.513 244 A N 0.879 123.614 122.820 -0.142 0.000 1.873 244 A HA 0.285 4.605 4.320 0.000 0.000 0.215 244 A C 2.750 180.323 177.584 -0.018 0.000 1.186 244 A CA 1.791 53.817 52.037 -0.019 0.000 0.616 244 A CB -1.331 17.755 19.000 0.143 0.000 0.823 244 A HN 0.634 nan 8.150 nan 0.000 0.442 245 A N -0.174 122.644 122.820 -0.003 0.000 1.933 245 A HA -0.156 4.164 4.320 0.000 0.000 0.218 245 A C 1.922 179.493 177.584 -0.021 0.000 1.175 245 A CA 1.612 53.659 52.037 0.016 0.000 0.628 245 A CB -0.510 18.508 19.000 0.030 0.000 0.814 245 A HN 0.648 nan 8.150 nan 0.000 0.444 246 E N -0.352 119.806 120.200 -0.069 0.000 2.047 246 E HA -0.174 4.176 4.350 0.000 0.000 0.191 246 E C 2.298 178.804 176.600 -0.157 0.000 0.987 246 E CA 1.106 57.445 56.400 -0.102 0.000 0.799 246 E CB -0.211 29.421 29.700 -0.113 0.000 0.752 246 E HN 0.554 nan 8.360 nan 0.000 0.449 247 R N 0.587 120.971 120.500 -0.194 0.000 2.115 247 R HA -0.043 4.297 4.340 0.000 0.000 0.230 247 R C 2.339 178.564 176.300 -0.125 0.000 1.111 247 R CA 0.976 56.947 56.100 -0.215 0.000 0.976 247 R CB -0.242 29.902 30.300 -0.259 0.000 0.870 247 R HN 0.094 nan 8.270 nan 0.000 0.445 248 A N 1.459 124.253 122.820 -0.043 0.000 1.898 248 A HA -0.039 4.281 4.320 0.000 0.000 0.216 248 A C 2.390 180.049 177.584 0.126 0.000 1.181 248 A CA 1.466 53.534 52.037 0.053 0.000 0.620 248 A CB -0.547 18.512 19.000 0.098 0.000 0.819 248 A HN 0.359 nan 8.150 nan 0.000 0.442 249 A N 0.005 122.854 122.820 0.048 0.000 1.858 249 A HA -0.062 4.258 4.320 0.000 0.000 0.216 249 A C 2.137 179.683 177.584 -0.063 0.000 1.190 249 A CA 1.527 53.591 52.037 0.045 0.000 0.617 249 A CB -0.742 18.259 19.000 0.002 0.000 0.827 249 A HN 0.461 nan 8.150 nan 0.000 0.443 250 L N -1.746 119.316 121.223 -0.268 0.000 2.191 250 L HA -0.171 4.169 4.340 0.000 0.000 0.212 250 L C 2.472 178.896 176.870 -0.743 0.000 1.103 250 L CA 1.495 55.927 54.840 -0.680 0.000 0.769 250 L CB -0.579 40.881 42.059 -0.998 0.000 0.908 250 L HN 0.565 nan 8.230 nan 0.000 0.438 251 F N -0.012 119.616 119.950 -0.537 0.000 2.102 251 F HA -0.241 4.286 4.527 0.000 0.000 0.298 251 F C 2.031 177.553 175.800 -0.463 0.000 1.105 251 F CA 1.596 59.294 58.000 -0.503 0.000 1.239 251 F CB -0.374 38.277 39.000 -0.582 0.000 0.991 251 F HN -0.047 nan 8.300 nan 0.000 0.474 252 W N 0.627 121.940 121.300 0.021 0.000 2.418 252 W HA -0.012 4.648 4.660 0.000 0.000 0.292 252 W C 2.784 179.201 176.519 -0.169 0.000 1.213 252 W CA 1.182 58.477 57.345 -0.082 0.000 1.283 252 W CB -0.484 28.929 29.460 -0.078 0.000 1.119 252 W HN -0.083 nan 8.180 nan 0.000 0.542 253 R N -0.214 120.310 120.500 0.040 0.000 2.081 253 R HA -0.190 4.150 4.340 0.000 0.000 0.235 253 R C 1.820 178.238 176.300 0.196 0.000 1.131 253 R CA 1.998 58.151 56.100 0.088 0.000 0.960 253 R CB -0.734 29.598 30.300 0.053 0.000 0.856 253 R HN 0.121 nan 8.270 nan 0.000 0.436 254 W N 0.393 121.630 121.300 -0.105 0.000 2.519 254 W HA 0.061 4.721 4.660 0.000 0.000 0.266 254 W C 1.953 178.347 176.519 -0.208 0.000 1.253 254 W CA 0.775 58.031 57.345 -0.149 0.000 1.274 254 W CB -0.784 28.561 29.460 -0.192 0.000 1.114 254 W HN 0.138 nan 8.180 nan 0.000 0.596 255 T N 0.436 114.934 114.554 -0.094 0.000 2.866 255 T HA -0.050 4.300 4.350 0.000 0.000 0.250 255 T C 1.639 176.360 174.700 0.036 0.000 1.033 255 T CA 1.551 63.547 62.100 -0.173 0.000 1.145 255 T CB -0.155 68.416 68.868 -0.495 0.000 0.866 255 T HN 0.157 nan 8.240 nan 0.000 0.434 256 M N -0.703 118.981 119.600 0.139 0.000 2.416 256 M HA 0.603 5.083 4.480 0.000 0.000 0.337 256 M C 1.273 177.774 176.300 0.334 0.000 1.074 256 M CA 0.107 55.545 55.300 0.231 0.000 0.968 256 M CB 0.881 33.648 32.600 0.279 0.000 1.472 256 M HN 0.279 nan 8.290 nan 0.000 0.539 257 G N 2.147 111.107 108.800 0.266 0.000 2.199 257 G HA2 -0.287 3.673 3.960 0.000 0.000 0.254 257 G HA3 -0.287 3.673 3.960 0.000 0.000 0.254 257 G C -0.195 174.949 174.900 0.407 0.000 0.982 257 G CA 0.604 45.882 45.100 0.297 0.000 0.632 257 G HN 0.828 nan 8.290 nan 0.000 0.529 258 F N 0.155 120.167 119.950 0.104 0.000 2.686 258 F HA 0.782 5.309 4.527 0.000 0.000 0.311 258 F C -0.783 175.078 175.800 0.102 0.000 1.128 258 F CA -1.653 56.403 58.000 0.093 0.000 0.946 258 F CB 0.681 39.725 39.000 0.074 0.000 1.336 258 F HN 0.349 nan 8.300 nan 0.000 0.457 259 N N 1.060 119.738 118.700 -0.037 0.000 2.972 259 N HA 0.795 5.535 4.740 0.000 0.000 0.262 259 N C -1.707 173.794 175.510 -0.014 0.000 1.478 259 N CA -0.725 52.250 53.050 -0.124 0.000 0.841 259 N CB 1.956 40.455 38.487 0.021 0.000 1.512 259 N HN 1.060 nan 8.380 nan 0.000 0.548 260 A N -0.173 122.635 122.820 -0.021 0.000 2.468 260 A HA 0.822 5.142 4.320 0.000 0.000 0.270 260 A C -0.088 177.553 177.584 0.094 0.000 1.217 260 A CA -0.286 51.803 52.037 0.087 0.000 0.908 260 A CB 0.664 19.686 19.000 0.037 0.000 1.423 260 A HN 0.846 nan 8.150 nan 0.000 0.459 261 T N -3.368 111.257 114.554 0.118 0.000 2.940 261 T HA 0.450 4.800 4.350 0.000 0.000 0.288 261 T C 0.846 175.613 174.700 0.112 0.000 1.045 261 T CA -0.200 61.961 62.100 0.101 0.000 1.018 261 T CB 1.000 69.927 68.868 0.099 0.000 1.151 261 T HN 0.443 nan 8.240 nan 0.000 0.529 262 M N 0.482 120.152 119.600 0.118 0.000 2.149 262 M HA -0.008 4.472 4.480 0.000 0.000 0.261 262 M C 2.090 178.532 176.300 0.236 0.000 1.064 262 M CA 1.780 57.181 55.300 0.167 0.000 1.102 262 M CB -0.855 31.826 32.600 0.134 0.000 1.369 262 M HN 0.917 nan 8.290 nan 0.000 0.408 263 E N -1.577 118.724 120.200 0.168 0.000 2.086 263 E HA -0.041 4.309 4.350 0.000 0.000 0.190 263 E C 1.993 178.703 176.600 0.183 0.000 0.975 263 E CA 0.932 57.435 56.400 0.173 0.000 0.813 263 E CB -0.484 29.266 29.700 0.083 0.000 0.768 263 E HN 0.550 nan 8.360 nan 0.000 0.457 264 G N 1.698 110.583 108.800 0.142 0.000 2.442 264 G HA2 -0.281 3.679 3.960 0.000 0.000 0.219 264 G HA3 -0.281 3.679 3.960 0.000 0.000 0.219 264 G C 1.537 176.551 174.900 0.190 0.000 1.141 264 G CA 0.875 46.062 45.100 0.145 0.000 0.763 264 G HN 0.359 nan 8.290 nan 0.000 0.554 265 I N 0.651 121.285 120.570 0.106 0.000 2.423 265 I HA -0.143 4.027 4.170 0.000 0.000 0.254 265 I C 2.215 178.165 176.117 -0.278 0.000 1.151 265 I CA 1.153 62.407 61.300 -0.076 0.000 1.421 265 I CB -0.330 37.464 38.000 -0.345 0.000 1.079 265 I HN 0.296 nan 8.210 nan 0.000 0.431 266 H N -0.694 118.342 119.070 -0.057 0.000 2.529 266 H HA 0.139 4.695 4.556 0.000 0.000 0.277 266 H C 2.190 177.509 175.328 -0.015 0.000 0.999 266 H CA 0.688 56.677 56.048 -0.098 0.000 1.256 266 H CB 0.003 29.705 29.762 -0.100 0.000 1.402 266 H HN 0.274 nan 8.280 nan 0.000 0.566 267 R N -0.708 119.866 120.500 0.123 0.000 2.080 267 R HA -0.079 4.261 4.340 0.000 0.000 0.222 267 R C 1.387 177.817 176.300 0.218 0.000 1.107 267 R CA 1.009 57.201 56.100 0.153 0.000 0.980 267 R CB -0.203 30.154 30.300 0.096 0.000 0.879 267 R HN 0.364 nan 8.270 nan 0.000 0.439 268 W N 1.097 122.439 121.300 0.071 0.000 2.358 268 W HA -0.151 4.509 4.660 0.000 0.000 0.303 268 W C 2.507 179.041 176.519 0.025 0.000 1.208 268 W CA 1.278 58.658 57.345 0.058 0.000 1.274 268 W CB -0.221 29.213 29.460 -0.043 0.000 1.138 268 W HN 0.185 nan 8.180 nan 0.000 0.515 269 A N 0.164 123.069 122.820 0.141 0.000 1.858 269 A HA -0.210 4.110 4.320 0.000 0.000 0.216 269 A C 1.912 179.491 177.584 -0.008 0.000 1.190 269 A CA 1.696 53.711 52.037 -0.036 0.000 0.617 269 A CB -1.108 17.737 19.000 -0.258 0.000 0.827 269 A HN 0.326 nan 8.150 nan 0.000 0.443 270 I N -1.971 118.585 120.570 -0.023 0.000 2.264 270 I HA -0.288 3.882 4.170 0.000 0.000 0.248 270 I C 2.296 178.325 176.117 -0.146 0.000 1.111 270 I CA 1.588 62.823 61.300 -0.107 0.000 1.382 270 I CB -0.110 37.790 38.000 -0.167 0.000 1.060 270 I HN 0.621 nan 8.210 nan 0.000 0.418 271 W N -0.189 121.112 121.300 0.001 0.000 2.418 271 W HA -0.195 4.465 4.660 0.000 0.000 0.292 271 W C 2.452 178.930 176.519 -0.068 0.000 1.213 271 W CA 0.784 58.102 57.345 -0.045 0.000 1.283 271 W CB -0.330 29.089 29.460 -0.069 0.000 1.119 271 W HN 0.152 nan 8.180 nan 0.000 0.542 272 M N 1.044 120.794 119.600 0.251 0.000 2.080 272 M HA -0.149 4.331 4.480 0.000 0.000 0.260 272 M C 2.052 178.439 176.300 0.145 0.000 1.068 272 M CA 2.452 57.891 55.300 0.232 0.000 1.109 272 M CB -0.855 31.895 32.600 0.251 0.000 1.342 272 M HN -0.042 nan 8.290 nan 0.000 0.405 273 A N -1.221 121.654 122.820 0.090 0.000 1.854 273 A HA -0.042 4.278 4.320 0.000 0.000 0.214 273 A C 2.183 179.796 177.584 0.049 0.000 1.192 273 A CA 1.673 53.758 52.037 0.079 0.000 0.611 273 A CB -1.247 17.781 19.000 0.047 0.000 0.832 273 A HN 0.347 nan 8.150 nan 0.000 0.442 274 V N 0.454 120.364 119.914 -0.007 0.000 2.380 274 V HA -0.280 3.840 4.120 0.000 0.000 0.251 274 V C 2.534 178.620 176.094 -0.012 0.000 1.063 274 V CA 2.032 64.315 62.300 -0.027 0.000 1.055 274 V CB -0.710 31.008 31.823 -0.175 0.000 0.657 274 V HN 0.569 nan 8.190 nan 0.000 0.455 275 L N -0.797 120.365 121.223 -0.102 0.000 2.265 275 L HA -0.147 4.193 4.340 0.000 0.000 0.215 275 L C 2.373 179.168 176.870 -0.125 0.000 1.117 275 L CA 0.743 55.399 54.840 -0.307 0.000 0.782 275 L CB -0.603 40.785 42.059 -1.120 0.000 0.914 275 L HN 0.228 nan 8.230 nan 0.000 0.441 276 V N 0.093 120.033 119.914 0.044 0.000 2.233 276 V HA -0.327 3.793 4.120 0.000 0.000 0.247 276 V C 2.649 178.850 176.094 0.177 0.000 1.050 276 V CA 2.634 65.050 62.300 0.193 0.000 1.010 276 V CB -1.004 30.926 31.823 0.179 0.000 0.637 276 V HN 0.676 nan 8.190 nan 0.000 0.444 277 T N -2.392 112.261 114.554 0.165 0.000 3.043 277 T HA -0.008 4.342 4.350 0.000 0.000 0.263 277 T C 1.791 176.678 174.700 0.313 0.000 1.094 277 T CA 0.710 62.934 62.100 0.206 0.000 1.127 277 T CB -0.132 68.858 68.868 0.204 0.000 0.905 277 T HN 0.194 nan 8.240 nan 0.000 0.490 278 L N 2.782 124.154 121.223 0.247 0.000 2.005 278 L HA 0.008 4.348 4.340 0.000 0.000 0.207 278 L C 2.971 180.017 176.870 0.293 0.000 1.072 278 L CA 2.431 57.416 54.840 0.241 0.000 0.744 278 L CB -1.215 40.887 42.059 0.071 0.000 0.895 278 L HN 0.563 nan 8.230 nan 0.000 0.433 279 T N -3.940 110.765 114.554 0.252 0.000 2.777 279 T HA -0.066 4.284 4.350 0.000 0.000 0.266 279 T C 1.984 176.845 174.700 0.267 0.000 1.040 279 T CA 0.850 63.151 62.100 0.337 0.000 1.141 279 T CB -1.375 67.786 68.868 0.489 0.000 0.868 279 T HN 0.344 nan 8.240 nan 0.000 0.444 280 G N 1.555 110.493 108.800 0.230 0.000 2.491 280 G HA2 -0.017 3.943 3.960 0.000 0.000 0.218 280 G HA3 -0.017 3.943 3.960 0.000 0.000 0.218 280 G C 1.759 176.705 174.900 0.077 0.000 1.180 280 G CA 0.816 46.006 45.100 0.149 0.000 0.774 280 G HN 0.676 nan 8.290 nan 0.000 0.562 281 G N 0.913 109.768 108.800 0.092 0.000 2.440 281 G HA2 -0.193 3.767 3.960 0.000 0.000 0.218 281 G HA3 -0.193 3.767 3.960 0.000 0.000 0.218 281 G C 1.799 176.643 174.900 -0.093 0.000 1.154 281 G CA 0.887 45.865 45.100 -0.203 0.000 0.767 281 G HN 0.457 nan 8.290 nan 0.000 0.552 282 I N 1.199 121.852 120.570 0.139 0.000 2.179 282 I HA -0.104 4.066 4.170 0.000 0.000 0.242 282 I C 3.102 179.082 176.117 -0.229 0.000 1.088 282 I CA 1.068 62.307 61.300 -0.102 0.000 1.357 282 I CB -0.499 37.167 38.000 -0.557 0.000 1.051 282 I HN 0.253 nan 8.210 nan 0.000 0.409 283 G N 1.178 109.877 108.800 -0.169 0.000 2.442 283 G HA2 -0.198 3.762 3.960 0.000 0.000 0.219 283 G HA3 -0.198 3.762 3.960 0.000 0.000 0.219 283 G C 1.561 176.497 174.900 0.060 0.000 1.141 283 G CA 0.512 45.605 45.100 -0.012 0.000 0.763 283 G HN 0.212 nan 8.290 nan 0.000 0.554 284 I N 0.202 120.780 120.570 0.013 0.000 2.500 284 I HA 0.037 4.207 4.170 0.000 0.000 0.252 284 I C 2.517 178.678 176.117 0.073 0.000 1.142 284 I CA 0.437 61.755 61.300 0.030 0.000 1.451 284 I CB -0.854 37.072 38.000 -0.123 0.000 1.093 284 I HN 0.136 nan 8.210 nan 0.000 0.430 285 L N 0.853 122.067 121.223 -0.014 0.000 2.083 285 L HA -0.103 4.237 4.340 0.000 0.000 0.209 285 L C 2.220 179.135 176.870 0.074 0.000 1.083 285 L CA 1.740 56.577 54.840 -0.006 0.000 0.752 285 L CB -0.472 41.559 42.059 -0.047 0.000 0.899 285 L HN 0.113 nan 8.230 nan 0.000 0.433 286 L N -1.279 120.018 121.223 0.123 0.000 2.395 286 L HA 0.016 4.357 4.340 0.000 0.000 0.218 286 L C 0.890 177.874 176.870 0.190 0.000 1.130 286 L CA -0.067 54.875 54.840 0.170 0.000 0.826 286 L CB -0.395 41.825 42.059 0.270 0.000 0.941 286 L HN 0.044 nan 8.230 nan 0.000 0.451 287 S N 0.344 116.207 115.700 0.272 0.000 2.465 287 S HA 0.353 4.823 4.470 0.000 0.000 0.280 287 S C 1.140 175.776 174.600 0.060 0.000 1.232 287 S CA 0.466 58.767 58.200 0.169 0.000 1.066 287 S CB 0.868 64.137 63.200 0.116 0.000 0.929 287 S HN 0.565 nan 8.310 nan 0.000 0.494 288 G N 3.052 111.935 108.800 0.138 0.000 2.253 288 G HA2 -0.359 3.601 3.960 0.000 0.000 0.251 288 G HA3 -0.359 3.601 3.960 0.000 0.000 0.251 288 G C 1.013 175.937 174.900 0.040 0.000 0.998 288 G CA 0.945 46.138 45.100 0.155 0.000 0.621 288 G HN 0.841 nan 8.290 nan 0.000 0.524 289 T N -2.945 111.629 114.554 0.033 0.000 3.033 289 T HA 0.442 4.792 4.350 0.000 0.000 0.248 289 T C 2.016 176.712 174.700 -0.007 0.000 1.040 289 T CA 1.816 63.925 62.100 0.015 0.000 1.133 289 T CB 0.348 69.234 68.868 0.031 0.000 0.895 289 T HN 0.610 nan 8.240 nan 0.000 0.465 290 V N 0.284 120.183 119.914 -0.025 0.000 3.359 290 V HA 0.405 4.525 4.120 0.000 0.000 0.245 290 V C 0.123 176.146 176.094 -0.119 0.000 1.247 290 V CA -0.042 62.234 62.300 -0.039 0.000 1.145 290 V CB 1.299 33.121 31.823 -0.002 0.000 0.906 290 V HN 0.335 nan 8.190 nan 0.000 0.464 291 V N 0.892 120.659 119.914 -0.246 0.000 2.443 291 V HA 0.423 4.543 4.120 0.000 0.000 0.293 291 V C 0.141 176.002 176.094 -0.389 0.000 1.021 291 V CA -0.440 61.577 62.300 -0.472 0.000 0.848 291 V CB 1.745 32.825 31.823 -1.238 0.000 0.998 291 V HN 0.243 nan 8.190 nan 0.000 0.424 292 D N 2.203 122.441 120.400 -0.269 0.000 2.240 292 D HA 0.034 4.674 4.640 0.000 0.000 0.206 292 D C 0.591 176.753 176.300 -0.229 0.000 0.963 292 D CA 0.962 54.834 54.000 -0.212 0.000 0.863 292 D CB 0.483 41.184 40.800 -0.166 0.000 0.973 292 D HN 0.498 nan 8.370 nan 0.000 0.501 293 N N -0.467 118.097 118.700 -0.227 0.000 2.533 293 N HA 0.013 4.753 4.740 0.000 0.000 0.289 293 N C -0.132 175.347 175.510 -0.051 0.000 1.103 293 N CA -0.415 52.584 53.050 -0.085 0.000 0.877 293 N CB 0.740 39.227 38.487 0.001 0.000 1.419 293 N HN -0.107 nan 8.380 nan 0.000 0.517 294 W N 2.062 123.485 121.300 0.204 0.000 2.402 294 W HA -0.105 4.555 4.660 0.000 0.000 0.286 294 W C 1.796 178.488 176.519 0.288 0.000 1.221 294 W CA 0.420 57.928 57.345 0.272 0.000 1.257 294 W CB -0.218 29.397 29.460 0.259 0.000 1.120 294 W HN 0.678 nan 8.180 nan 0.000 0.551 295 Y N 0.731 121.170 120.300 0.232 0.000 2.114 295 Y HA -0.288 4.262 4.550 0.000 0.000 0.284 295 Y C 2.240 178.085 175.900 -0.091 0.000 1.143 295 Y CA 2.066 60.026 58.100 -0.233 0.000 1.135 295 Y CB -0.979 37.344 38.460 -0.228 0.000 0.980 295 Y HN -0.220 nan 8.280 nan 0.000 0.499 296 V N -0.339 119.523 119.914 -0.086 0.000 2.287 296 V HA -0.333 3.787 4.120 0.000 0.000 0.248 296 V C 2.144 178.169 176.094 -0.114 0.000 1.053 296 V CA 2.155 64.352 62.300 -0.172 0.000 1.027 296 V CB -1.174 30.636 31.823 -0.023 0.000 0.646 296 V HN 0.741 nan 8.190 nan 0.000 0.447 297 W N 1.270 122.487 121.300 -0.139 0.000 2.338 297 W HA -0.123 4.537 4.660 0.000 0.000 0.304 297 W C 2.313 178.824 176.519 -0.012 0.000 1.212 297 W CA 1.908 59.208 57.345 -0.074 0.000 1.264 297 W CB -0.683 28.726 29.460 -0.086 0.000 1.142 297 W HN 0.250 nan 8.180 nan 0.000 0.512 298 G N -0.194 108.728 108.800 0.202 0.000 2.442 298 G HA2 -0.305 3.655 3.960 0.000 0.000 0.219 298 G HA3 -0.305 3.655 3.960 0.000 0.000 0.219 298 G C 1.402 176.163 174.900 -0.230 0.000 1.141 298 G CA 1.021 46.139 45.100 0.029 0.000 0.763 298 G HN 0.267 nan 8.290 nan 0.000 0.554 299 Q N 0.463 120.052 119.800 -0.351 0.000 2.226 299 Q HA -0.050 4.290 4.340 0.000 0.000 0.204 299 Q C 0.843 176.688 176.000 -0.258 0.000 0.975 299 Q CA 0.781 56.387 55.803 -0.328 0.000 0.866 299 Q CB -0.262 28.232 28.738 -0.407 0.000 0.915 299 Q HN 0.634 nan 8.270 nan 0.000 0.440 300 N N 0.723 119.233 118.700 -0.317 0.000 2.671 300 N HA 0.061 4.801 4.740 0.000 0.000 0.303 300 N C -0.422 174.863 175.510 -0.374 0.000 1.351 300 N CA -0.108 52.759 53.050 -0.305 0.000 0.991 300 N CB 0.438 38.755 38.487 -0.284 0.000 1.307 300 N HN 0.123 nan 8.380 nan 0.000 0.512 301 H N 0.000 118.801 119.070 -0.449 0.000 2.539 301 H HA 0.000 4.556 4.556 0.000 0.000 0.296 301 H CA 0.000 55.786 56.048 -0.436 0.000 1.023 301 H CB 0.000 29.231 29.762 -0.884 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496