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 1prn_1_A DATA FIRST_RESID 1 DATA SEQUENCE EISLNGYGRF GLQYVEDRGV GLEDTIISSR LRINIVGTTE TDQGVTFGAK DATA SEQUENCE LRMQWDDGDA FAGTAGNAAQ FWTSYNGVTV SVGNVDTAFD SVALTYDSEM DATA SEQUENCE GYEASSFGDA QSSFFAYNSK YDASGALDNY NGIAVTYSIS GVNLYLSYVD DATA SEQUENCE PDQTVDSSLV TEEFGIAADW SNDMISLAAA YTTDAGGIVD NDIAFVGAAY DATA SEQUENCE KFNDAGTVGL NWYDNGLSTA GDQVTLYGNY AFGATTVRAY VSDIDRAGAD DATA SEQUENCE TAYGIGADYQ FAEGVKVSGS VQSGFANETV ADVGVRFDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.628 176.600 0.046 0.000 1.382 1 E CA 0.000 56.426 56.400 0.043 0.000 0.976 1 E CB 0.000 29.732 29.700 0.053 0.000 0.812 2 I N 3.044 123.641 120.570 0.046 0.000 2.436 2 I HA 0.344 4.516 4.170 0.004 0.000 0.289 2 I C -0.431 175.721 176.117 0.059 0.000 1.010 2 I CA -0.587 60.743 61.300 0.050 0.000 1.098 2 I CB 1.918 39.941 38.000 0.039 0.000 1.266 2 I HN 0.481 nan 8.210 nan 0.000 0.434 3 S N 7.071 122.814 115.700 0.072 0.000 2.542 3 S HA 0.771 5.243 4.470 0.004 0.000 0.293 3 S C -0.892 173.759 174.600 0.085 0.000 1.089 3 S CA -0.903 57.343 58.200 0.077 0.000 0.961 3 S CB 2.081 65.331 63.200 0.083 0.000 1.062 3 S HN 0.421 nan 8.310 nan 0.000 0.483 4 L N 2.671 123.947 121.223 0.089 0.000 2.346 4 L HA 0.667 5.010 4.340 0.004 0.000 0.274 4 L C -0.565 176.385 176.870 0.133 0.000 1.007 4 L CA -0.753 54.150 54.840 0.104 0.000 0.818 4 L CB 1.504 43.624 42.059 0.101 0.000 1.284 4 L HN 1.031 nan 8.230 nan 0.000 0.424 5 N N 0.809 119.592 118.700 0.139 0.000 2.825 5 N HA 0.889 5.632 4.740 0.004 0.000 0.253 5 N C -0.637 174.942 175.510 0.114 0.000 1.426 5 N CA -0.447 52.691 53.050 0.148 0.000 0.851 5 N CB 2.416 40.952 38.487 0.081 0.000 1.470 5 N HN 0.747 nan 8.380 nan 0.000 0.517 6 G N -1.558 107.216 108.800 -0.042 0.000 2.335 6 G HA2 0.438 4.400 3.960 0.004 0.000 0.291 6 G HA3 0.438 4.400 3.960 0.004 0.000 0.291 6 G C -2.311 172.110 174.900 -0.798 0.000 1.261 6 G CA -0.251 44.695 45.100 -0.257 0.000 0.871 6 G HN 1.245 nan 8.290 nan 0.000 0.491 7 Y N -1.928 117.837 120.300 -0.892 0.000 2.656 7 Y HA 0.810 5.363 4.550 0.005 0.000 0.334 7 Y C -0.154 175.389 175.900 -0.596 0.000 1.179 7 Y CA -1.042 56.444 58.100 -1.024 0.000 1.050 7 Y CB 1.138 39.267 38.460 -0.552 0.000 1.308 7 Y HN 1.404 nan 8.280 nan 0.000 0.456 8 G N 1.343 109.849 108.800 -0.489 0.000 2.524 8 G HA2 0.738 4.701 3.960 0.004 0.000 0.310 8 G HA3 0.738 4.701 3.960 0.004 0.000 0.310 8 G C -1.840 172.836 174.900 -0.373 0.000 1.279 8 G CA -1.432 43.446 45.100 -0.369 0.000 0.974 8 G HN 1.050 nan 8.290 nan 0.000 0.484 9 R N -0.256 120.305 120.500 0.102 0.000 2.643 9 R HA 0.787 5.129 4.340 0.004 0.000 0.269 9 R C -1.797 174.747 176.300 0.407 0.000 1.037 9 R CA -0.936 55.269 56.100 0.176 0.000 0.894 9 R CB 1.759 32.188 30.300 0.215 0.000 1.238 9 R HN 0.914 nan 8.270 nan 0.000 0.459 10 F N -0.959 119.128 119.950 0.230 0.000 2.678 10 F HA 0.894 5.424 4.527 0.005 0.000 0.308 10 F C -0.609 175.045 175.800 -0.243 0.000 1.118 10 F CA -0.165 57.929 58.000 0.157 0.000 0.959 10 F CB 1.559 40.667 39.000 0.180 0.000 1.305 10 F HN 0.989 nan 8.300 nan 0.000 0.443 11 G N 0.976 109.773 108.800 -0.004 0.000 2.356 11 G HA2 0.434 4.396 3.960 0.004 0.000 0.281 11 G HA3 0.434 4.396 3.960 0.004 0.000 0.281 11 G C -2.485 172.439 174.900 0.040 0.000 1.246 11 G CA -1.002 43.904 45.100 -0.323 0.000 0.889 11 G HN 0.832 nan 8.290 nan 0.000 0.486 12 L N 0.938 122.187 121.223 0.044 0.000 2.317 12 L HA 0.665 5.008 4.340 0.004 0.000 0.281 12 L C -0.056 176.980 176.870 0.278 0.000 1.024 12 L CA -0.599 54.339 54.840 0.163 0.000 0.810 12 L CB 1.949 44.069 42.059 0.103 0.000 1.240 12 L HN 0.588 nan 8.230 nan 0.000 0.427 13 Q N 3.175 123.119 119.800 0.241 0.000 2.310 13 Q HA 0.300 4.642 4.340 0.004 0.000 0.270 13 Q C -2.025 174.091 176.000 0.194 0.000 1.025 13 Q CA -0.671 55.256 55.803 0.207 0.000 0.772 13 Q CB 2.262 31.079 28.738 0.132 0.000 1.253 13 Q HN 0.580 nan 8.270 nan 0.000 0.450 14 Y N 3.820 124.155 120.300 0.058 0.000 2.341 14 Y HA 0.559 5.112 4.550 0.004 0.000 0.338 14 Y C -1.629 174.289 175.900 0.030 0.000 0.965 14 Y CA -0.772 57.353 58.100 0.041 0.000 1.108 14 Y CB 1.664 40.150 38.460 0.043 0.000 1.180 14 Y HN 0.371 nan 8.280 nan 0.000 0.458 15 V N 6.503 126.048 119.914 -0.616 0.000 2.482 15 V HA 0.401 4.523 4.120 0.004 0.000 0.295 15 V C -0.657 174.956 176.094 -0.801 0.000 1.026 15 V CA -0.639 61.322 62.300 -0.565 0.000 0.856 15 V CB 1.281 32.969 31.823 -0.224 0.000 1.001 15 V HN 0.937 nan 8.190 nan 0.000 0.424 16 E N 4.832 124.526 120.200 -0.844 0.000 2.465 16 E HA 0.015 4.367 4.350 0.004 0.000 0.260 16 E C -0.208 176.266 176.600 -0.210 0.000 0.980 16 E CA 0.659 56.788 56.400 -0.452 0.000 0.927 16 E CB 0.285 29.933 29.700 -0.087 0.000 0.934 16 E HN 0.874 nan 8.360 nan 0.000 0.459 17 D N 3.160 123.485 120.400 -0.125 0.000 2.697 17 D HA -0.247 4.395 4.640 0.004 0.000 0.235 17 D C 0.798 177.049 176.300 -0.082 0.000 1.167 17 D CA 0.855 54.814 54.000 -0.067 0.000 0.656 17 D CB -0.651 40.128 40.800 -0.034 0.000 1.025 17 D HN 0.646 nan 8.370 nan 0.000 0.419 18 R N 0.334 120.769 120.500 -0.107 0.000 2.139 18 R HA -0.049 4.293 4.340 0.004 0.000 0.243 18 R C 1.161 177.427 176.300 -0.057 0.000 1.145 18 R CA 1.792 57.837 56.100 -0.093 0.000 0.976 18 R CB 0.158 30.399 30.300 -0.097 0.000 0.866 18 R HN 0.443 nan 8.270 nan 0.000 0.449 19 G N -1.437 107.337 108.800 -0.042 0.000 2.340 19 G HA2 0.124 4.086 3.960 0.004 0.000 0.298 19 G HA3 0.124 4.086 3.960 0.004 0.000 0.298 19 G C -1.747 173.141 174.900 -0.020 0.000 1.498 19 G CA -0.460 44.622 45.100 -0.030 0.000 0.847 19 G HN 0.081 nan 8.290 nan 0.000 0.594 20 V N 1.317 121.222 119.914 -0.015 0.000 2.479 20 V HA 0.491 4.613 4.120 0.004 0.000 0.281 20 V C 1.519 177.609 176.094 -0.008 0.000 1.031 20 V CA 2.181 64.475 62.300 -0.009 0.000 1.038 20 V CB 0.557 32.375 31.823 -0.008 0.000 0.981 20 V HN 2.846 nan 8.190 nan 0.000 0.478 21 G N 4.790 113.588 108.800 -0.004 0.000 2.179 21 G HA2 -0.208 3.755 3.960 0.004 0.000 0.260 21 G HA3 -0.208 3.755 3.960 0.004 0.000 0.260 21 G C -0.032 174.866 174.900 -0.002 0.000 0.977 21 G CA 0.399 45.498 45.100 -0.002 0.000 0.641 21 G HN 0.826 nan 8.290 nan 0.000 0.533 22 L N -0.081 121.139 121.223 -0.006 0.000 2.344 22 L HA 0.724 5.066 4.340 0.004 0.000 0.272 22 L C 0.409 177.278 176.870 -0.001 0.000 1.035 22 L CA -1.096 53.740 54.840 -0.007 0.000 0.807 22 L CB 1.446 43.494 42.059 -0.019 0.000 1.237 22 L HN 0.085 nan 8.230 nan 0.000 0.442 23 E N 0.433 120.637 120.200 0.006 0.000 2.259 23 E HA 0.067 4.420 4.350 0.004 0.000 0.281 23 E C -0.004 176.604 176.600 0.013 0.000 1.027 23 E CA -0.148 56.265 56.400 0.021 0.000 0.838 23 E CB 1.065 30.783 29.700 0.031 0.000 1.066 23 E HN 0.380 nan 8.360 nan 0.000 0.401 24 D N 1.909 122.324 120.400 0.025 0.000 2.178 24 D HA -0.049 4.594 4.640 0.004 0.000 0.202 24 D C -0.142 176.177 176.300 0.031 0.000 0.974 24 D CA 1.095 55.078 54.000 -0.027 0.000 0.841 24 D CB 0.204 41.002 40.800 -0.003 0.000 0.953 24 D HN 0.324 nan 8.370 nan 0.000 0.478 25 T N 1.268 115.907 114.554 0.142 0.000 2.779 25 T HA 0.587 4.939 4.350 0.004 0.000 0.280 25 T C 0.344 175.110 174.700 0.109 0.000 0.987 25 T CA -0.660 61.546 62.100 0.177 0.000 0.966 25 T CB 1.453 70.450 68.868 0.214 0.000 0.933 25 T HN 0.026 nan 8.240 nan 0.000 0.442 26 I N -0.598 120.035 120.570 0.104 0.000 3.145 26 I HA 0.679 4.851 4.170 0.004 0.000 0.313 26 I C -1.116 175.072 176.117 0.119 0.000 1.122 26 I CA -1.744 59.610 61.300 0.089 0.000 0.987 26 I CB 1.913 39.950 38.000 0.061 0.000 1.236 26 I HN 0.455 nan 8.210 nan 0.000 0.453 27 I N 2.642 123.284 120.570 0.120 0.000 2.287 27 I HA 0.213 4.386 4.170 0.004 0.000 0.290 27 I C 0.193 176.420 176.117 0.183 0.000 1.069 27 I CA 0.025 61.421 61.300 0.159 0.000 1.237 27 I CB 1.219 39.301 38.000 0.137 0.000 1.418 27 I HN 0.579 nan 8.210 nan 0.000 0.481 28 S N 5.115 120.955 115.700 0.234 0.000 2.480 28 S HA 0.681 5.153 4.470 0.004 0.000 0.286 28 S C -0.189 174.600 174.600 0.315 0.000 1.180 28 S CA -0.430 57.892 58.200 0.202 0.000 1.075 28 S CB 0.638 63.924 63.200 0.142 0.000 0.996 28 S HN 0.685 nan 8.310 nan 0.000 0.487 29 S N 4.147 119.991 115.700 0.240 0.000 2.607 29 S HA 0.757 5.229 4.470 0.004 0.000 0.273 29 S C -0.979 173.759 174.600 0.231 0.000 1.148 29 S CA -1.109 57.305 58.200 0.356 0.000 0.833 29 S CB 1.743 65.234 63.200 0.484 0.000 1.130 29 S HN 0.913 nan 8.310 nan 0.000 0.470 30 R N 0.352 121.034 120.500 0.304 0.000 2.584 30 R HA 0.681 5.024 4.340 0.004 0.000 0.276 30 R C -2.410 174.040 176.300 0.250 0.000 1.046 30 R CA -0.863 55.363 56.100 0.211 0.000 0.906 30 R CB 1.524 31.886 30.300 0.103 0.000 1.215 30 R HN 0.711 nan 8.270 nan 0.000 0.449 31 L N 3.738 125.123 121.223 0.270 0.000 2.356 31 L HA 0.600 4.943 4.340 0.004 0.000 0.277 31 L C -1.197 175.666 176.870 -0.011 0.000 0.996 31 L CA -0.323 54.614 54.840 0.162 0.000 0.822 31 L CB 1.572 43.783 42.059 0.254 0.000 1.256 31 L HN 0.740 nan 8.230 nan 0.000 0.413 32 R N 5.751 126.094 120.500 -0.262 0.000 2.480 32 R HA 0.739 5.081 4.340 0.004 0.000 0.306 32 R C -1.744 174.464 176.300 -0.153 0.000 0.958 32 R CA -0.575 55.328 56.100 -0.329 0.000 0.861 32 R CB 1.200 31.033 30.300 -0.779 0.000 1.171 32 R HN 0.792 nan 8.270 nan 0.000 0.445 33 I N 3.920 124.479 120.570 -0.018 0.000 2.466 33 I HA 0.312 4.484 4.170 0.004 0.000 0.289 33 I C -0.764 175.383 176.117 0.049 0.000 1.026 33 I CA -1.024 60.318 61.300 0.070 0.000 1.078 33 I CB 2.108 40.175 38.000 0.112 0.000 1.249 33 I HN 0.530 nan 8.210 nan 0.000 0.429 34 N N 7.384 126.118 118.700 0.056 0.000 2.400 34 N HA 0.576 5.318 4.740 0.004 0.000 0.288 34 N C -0.879 174.679 175.510 0.080 0.000 1.024 34 N CA -0.382 52.705 53.050 0.062 0.000 0.894 34 N CB 2.612 41.125 38.487 0.043 0.000 1.173 34 N HN 0.438 nan 8.380 nan 0.000 0.487 35 I N 1.867 122.486 120.570 0.082 0.000 2.362 35 I HA 0.329 4.502 4.170 0.004 0.000 0.289 35 I C -0.492 175.679 176.117 0.091 0.000 0.994 35 I CA -0.870 60.476 61.300 0.077 0.000 1.158 35 I CB 1.601 39.637 38.000 0.060 0.000 1.315 35 I HN -0.022 nan 8.210 nan 0.000 0.451 36 V N 4.956 124.932 119.914 0.103 0.000 2.483 36 V HA 0.635 4.758 4.120 0.004 0.000 0.297 36 V C 0.365 176.516 176.094 0.095 0.000 1.027 36 V CA -0.561 61.825 62.300 0.142 0.000 0.855 36 V CB 1.724 33.672 31.823 0.208 0.000 0.995 36 V HN 0.873 nan 8.190 nan 0.000 0.424 37 G N 2.421 111.244 108.800 0.039 0.000 2.368 37 G HA2 0.686 4.649 3.960 0.004 0.000 0.320 37 G HA3 0.686 4.649 3.960 0.004 0.000 0.320 37 G C -0.264 174.623 174.900 -0.020 0.000 1.158 37 G CA -0.356 44.749 45.100 0.009 0.000 0.912 37 G HN 0.790 nan 8.290 nan 0.000 0.456 38 T N -1.289 113.283 114.554 0.030 0.000 2.893 38 T HA 0.701 5.053 4.350 0.004 0.000 0.293 38 T C -0.507 174.232 174.700 0.063 0.000 1.027 38 T CA -0.761 61.367 62.100 0.046 0.000 0.988 38 T CB 2.154 71.099 68.868 0.128 0.000 1.043 38 T HN 0.290 nan 8.240 nan 0.000 0.461 39 T N 2.882 117.492 114.554 0.094 0.000 2.864 39 T HA 0.404 4.757 4.350 0.004 0.000 0.310 39 T C -0.409 174.401 174.700 0.184 0.000 1.040 39 T CA -0.668 61.502 62.100 0.116 0.000 0.977 39 T CB 0.875 69.796 68.868 0.088 0.000 0.976 39 T HN 0.688 nan 8.240 nan 0.000 0.459 40 E N 2.091 122.374 120.200 0.138 0.000 2.277 40 E HA 0.572 4.925 4.350 0.004 0.000 0.274 40 E C 0.280 176.961 176.600 0.134 0.000 1.022 40 E CA -0.753 55.730 56.400 0.139 0.000 0.853 40 E CB 1.101 30.865 29.700 0.106 0.000 1.086 40 E HN 0.658 nan 8.360 nan 0.000 0.397 41 T N -1.807 112.831 114.554 0.139 0.000 2.906 41 T HA 0.180 4.533 4.350 0.004 0.000 0.295 41 T C 0.272 175.029 174.700 0.096 0.000 1.075 41 T CA -0.922 61.250 62.100 0.119 0.000 1.005 41 T CB 1.302 70.263 68.868 0.155 0.000 1.136 41 T HN 0.430 nan 8.240 nan 0.000 0.498 42 D N 0.101 120.546 120.400 0.075 0.000 2.371 42 D HA -0.079 4.564 4.640 0.004 0.000 0.221 42 D C 1.448 177.792 176.300 0.074 0.000 0.986 42 D CA 0.475 54.516 54.000 0.067 0.000 0.899 42 D CB -0.105 40.725 40.800 0.051 0.000 0.902 42 D HN 0.449 nan 8.370 nan 0.000 0.530 43 Q N -0.001 119.845 119.800 0.077 0.000 2.451 43 Q HA 0.171 4.514 4.340 0.004 0.000 0.206 43 Q C 1.561 177.639 176.000 0.129 0.000 0.947 43 Q CA 0.858 56.704 55.803 0.073 0.000 0.937 43 Q CB 0.237 28.992 28.738 0.029 0.000 1.025 43 Q HN 0.534 nan 8.270 nan 0.000 0.511 44 G N 0.279 109.166 108.800 0.146 0.000 2.141 44 G HA2 -0.232 3.731 3.960 0.004 0.000 0.242 44 G HA3 -0.232 3.731 3.960 0.004 0.000 0.242 44 G C 0.010 175.071 174.900 0.269 0.000 0.982 44 G CA 0.224 45.451 45.100 0.211 0.000 0.662 44 G HN 0.212 nan 8.290 nan 0.000 0.527 45 V N 1.301 121.297 119.914 0.137 0.000 2.398 45 V HA 0.673 4.795 4.120 0.004 0.000 0.286 45 V C 0.493 176.568 176.094 -0.032 0.000 1.026 45 V CA -0.101 62.207 62.300 0.013 0.000 0.868 45 V CB 1.677 33.405 31.823 -0.157 0.000 0.982 45 V HN 0.272 nan 8.190 nan 0.000 0.443 46 T N 5.587 120.090 114.554 -0.084 0.000 2.824 46 T HA 0.688 5.041 4.350 0.004 0.000 0.280 46 T C -0.729 173.830 174.700 -0.235 0.000 0.995 46 T CA -0.078 62.017 62.100 -0.009 0.000 1.009 46 T CB 0.802 69.746 68.868 0.127 0.000 0.955 46 T HN 0.301 nan 8.240 nan 0.000 0.452 47 F N 1.037 120.985 119.950 -0.003 0.000 2.508 47 F HA 0.752 5.281 4.527 0.004 0.000 0.325 47 F C 0.840 176.415 175.800 -0.374 0.000 1.090 47 F CA -0.487 57.420 58.000 -0.156 0.000 0.945 47 F CB 2.256 41.193 39.000 -0.106 0.000 1.156 47 F HN 0.742 nan 8.300 nan 0.000 0.463 48 G N 0.315 108.650 108.800 -0.775 0.000 2.692 48 G HA2 0.779 4.742 3.960 0.004 0.000 0.291 48 G HA3 0.779 4.742 3.960 0.004 0.000 0.291 48 G C -2.256 171.797 174.900 -1.411 0.000 1.423 48 G CA -0.833 43.502 45.100 -1.275 0.000 0.843 48 G HN 0.886 nan 8.290 nan 0.000 0.486 49 A N 0.260 122.514 122.820 -0.943 0.000 2.549 49 A HA 0.925 5.247 4.320 0.004 0.000 0.297 49 A C -0.719 176.746 177.584 -0.199 0.000 1.061 49 A CA -0.658 51.049 52.037 -0.550 0.000 0.690 49 A CB 2.026 20.831 19.000 -0.325 0.000 1.287 49 A HN 1.378 nan 8.150 nan 0.000 0.402 50 K N 0.589 120.980 120.400 -0.015 0.000 2.502 50 K HA 0.860 5.183 4.320 0.004 0.000 0.257 50 K C -1.837 174.802 176.600 0.064 0.000 0.938 50 K CA -0.681 55.681 56.287 0.125 0.000 0.819 50 K CB 2.036 34.719 32.500 0.305 0.000 1.333 50 K HN 0.641 nan 8.250 nan 0.000 0.434 51 L N 1.230 122.499 121.223 0.078 0.000 2.388 51 L HA 0.595 4.937 4.340 0.004 0.000 0.264 51 L C -1.299 175.635 176.870 0.106 0.000 0.998 51 L CA -0.545 54.340 54.840 0.075 0.000 0.817 51 L CB 2.264 44.344 42.059 0.036 0.000 1.338 51 L HN 0.865 nan 8.230 nan 0.000 0.414 52 R N 4.377 124.946 120.500 0.116 0.000 2.599 52 R HA 0.748 5.091 4.340 0.004 0.000 0.295 52 R C -1.650 174.694 176.300 0.074 0.000 0.963 52 R CA -0.582 55.583 56.100 0.108 0.000 0.883 52 R CB 1.477 31.880 30.300 0.171 0.000 1.171 52 R HN 0.745 nan 8.270 nan 0.000 0.450 53 M N 3.945 123.585 119.600 0.066 0.000 2.085 53 M HA 0.276 4.758 4.480 0.004 0.000 0.309 53 M C -1.061 175.281 176.300 0.070 0.000 0.947 53 M CA -0.409 54.937 55.300 0.076 0.000 0.918 53 M CB 2.115 34.761 32.600 0.077 0.000 1.504 53 M HN 0.548 nan 8.290 nan 0.000 0.420 54 Q N 2.533 122.378 119.800 0.075 0.000 2.356 54 Q HA 0.507 4.849 4.340 0.004 0.000 0.270 54 Q C -2.148 173.932 176.000 0.133 0.000 1.058 54 Q CA -0.635 55.203 55.803 0.057 0.000 0.802 54 Q CB 2.763 31.487 28.738 -0.023 0.000 1.303 54 Q HN 0.750 nan 8.270 nan 0.000 0.444 55 W N 3.398 124.689 121.300 -0.016 0.000 2.702 55 W HA 0.526 5.189 4.660 0.004 0.000 0.331 55 W C -1.609 174.909 176.519 -0.002 0.000 1.049 55 W CA -0.247 57.102 57.345 0.008 0.000 1.230 55 W CB 1.673 31.150 29.460 0.028 0.000 1.408 55 W HN 0.647 nan 8.180 nan 0.000 0.492 56 D N 3.320 123.079 120.400 -1.070 0.000 2.601 56 D HA 0.121 4.763 4.640 0.004 0.000 0.230 56 D C -0.741 174.554 176.300 -1.675 0.000 1.106 56 D CA -0.439 52.935 54.000 -1.042 0.000 0.873 56 D CB 1.559 42.046 40.800 -0.521 0.000 1.515 56 D HN 0.375 nan 8.370 nan 0.000 0.468 57 D N 0.815 120.515 120.400 -1.166 0.000 2.472 57 D HA 0.197 4.840 4.640 0.004 0.000 0.237 57 D C 1.013 177.073 176.300 -0.400 0.000 1.141 57 D CA 0.315 53.926 54.000 -0.649 0.000 0.875 57 D CB 1.091 41.809 40.800 -0.137 0.000 1.192 57 D HN 0.672 nan 8.370 nan 0.000 0.450 58 G N 2.162 110.845 108.800 -0.196 0.000 2.199 58 G HA2 -0.251 3.712 3.960 0.004 0.000 0.254 58 G HA3 -0.251 3.712 3.960 0.004 0.000 0.254 58 G C 0.016 174.813 174.900 -0.172 0.000 0.982 58 G CA 0.182 45.197 45.100 -0.143 0.000 0.632 58 G HN 0.686 nan 8.290 nan 0.000 0.529 59 D N 1.464 121.708 120.400 -0.260 0.000 2.472 59 D HA 0.497 5.139 4.640 0.004 0.000 0.237 59 D C 1.052 177.303 176.300 -0.081 0.000 1.141 59 D CA 0.938 54.823 54.000 -0.192 0.000 0.875 59 D CB 0.935 41.594 40.800 -0.233 0.000 1.192 59 D HN 0.821 nan 8.370 nan 0.000 0.450 60 A N 2.326 125.046 122.820 -0.166 0.000 2.498 60 A HA 0.259 4.581 4.320 0.004 0.000 0.239 60 A C 0.302 177.693 177.584 -0.321 0.000 1.068 60 A CA -0.134 51.639 52.037 -0.440 0.000 0.766 60 A CB -0.401 18.158 19.000 -0.734 0.000 1.003 60 A HN 0.619 nan 8.150 nan 0.000 0.497 61 F N -0.410 119.599 119.950 0.098 0.000 2.748 61 F HA -0.269 4.261 4.527 0.004 0.000 0.370 61 F C 1.363 177.233 175.800 0.115 0.000 0.620 61 F CA 1.182 59.236 58.000 0.090 0.000 1.233 61 F CB -2.116 36.927 39.000 0.072 0.000 1.708 61 F HN 2.008 nan 8.300 nan 0.000 0.298 62 A N -0.738 122.236 122.820 0.257 0.000 2.745 62 A HA 0.200 4.522 4.320 0.004 0.000 0.296 62 A C 0.992 178.742 177.584 0.277 0.000 1.500 62 A CA 1.543 53.759 52.037 0.298 0.000 0.766 62 A CB -1.679 17.433 19.000 0.187 0.000 1.030 62 A HN 2.062 nan 8.150 nan 0.000 0.489 63 G N -1.985 107.031 108.800 0.360 0.000 2.733 63 G HA2 0.823 4.786 3.960 0.004 0.000 0.288 63 G HA3 0.823 4.786 3.960 0.004 0.000 0.288 63 G C -0.731 174.389 174.900 0.368 0.000 1.373 63 G CA 0.248 45.514 45.100 0.278 0.000 0.895 63 G HN 0.840 nan 8.290 nan 0.000 0.479 64 T N -0.341 114.359 114.554 0.244 0.000 2.916 64 T HA 0.763 5.115 4.350 0.004 0.000 0.298 64 T C -0.206 174.589 174.700 0.158 0.000 1.031 64 T CA -0.002 62.249 62.100 0.252 0.000 0.993 64 T CB 1.666 70.660 68.868 0.211 0.000 1.045 64 T HN 1.192 nan 8.240 nan 0.000 0.454 65 A N 1.689 124.615 122.820 0.177 0.000 2.530 65 A HA 1.000 5.322 4.320 0.004 0.000 0.288 65 A C 0.195 177.850 177.584 0.119 0.000 1.172 65 A CA -0.688 51.410 52.037 0.102 0.000 0.733 65 A CB 1.166 20.180 19.000 0.024 0.000 1.320 65 A HN 1.007 nan 8.150 nan 0.000 0.419 66 G N -0.004 108.841 108.800 0.075 0.000 2.528 66 G HA2 0.470 4.432 3.960 0.004 0.000 0.289 66 G HA3 0.470 4.432 3.960 0.004 0.000 0.289 66 G C -0.085 174.861 174.900 0.076 0.000 1.192 66 G CA -0.164 44.977 45.100 0.069 0.000 0.921 66 G HN 1.010 nan 8.290 nan 0.000 0.512 67 N N -0.631 118.094 118.700 0.042 0.000 2.620 67 N HA 0.599 5.341 4.740 0.004 0.000 0.307 67 N C -0.019 175.485 175.510 -0.011 0.000 1.316 67 N CA -0.220 52.830 53.050 -0.000 0.000 0.931 67 N CB 0.355 38.784 38.487 -0.097 0.000 1.116 67 N HN 0.629 nan 8.380 nan 0.000 0.573 68 A N -0.971 121.816 122.820 -0.054 0.000 2.316 68 A HA 0.672 4.994 4.320 0.004 0.000 0.284 68 A C 0.351 177.929 177.584 -0.011 0.000 1.115 68 A CA -0.405 51.622 52.037 -0.017 0.000 0.812 68 A CB -0.315 18.674 19.000 -0.020 0.000 1.064 68 A HN 0.918 nan 8.150 nan 0.000 0.489 69 A N 1.073 123.892 122.820 -0.003 0.000 2.406 69 A HA 0.496 4.819 4.320 0.004 0.000 0.243 69 A C 0.272 177.777 177.584 -0.132 0.000 1.082 69 A CA 0.065 52.019 52.037 -0.140 0.000 0.786 69 A CB 0.193 18.991 19.000 -0.336 0.000 1.029 69 A HN 0.913 nan 8.150 nan 0.000 0.495 70 Q N 0.181 119.839 119.800 -0.236 0.000 2.356 70 Q HA 0.645 4.987 4.340 0.004 0.000 0.270 70 Q C -2.032 173.819 176.000 -0.248 0.000 1.058 70 Q CA -0.411 55.398 55.803 0.010 0.000 0.802 70 Q CB 1.194 30.111 28.738 0.298 0.000 1.303 70 Q HN 0.610 nan 8.270 nan 0.000 0.444 71 F N 2.217 122.330 119.950 0.272 0.000 2.577 71 F HA 0.753 5.283 4.527 0.004 0.000 0.318 71 F C -0.685 175.297 175.800 0.304 0.000 1.065 71 F CA -0.552 57.528 58.000 0.133 0.000 0.929 71 F CB 1.302 40.345 39.000 0.071 0.000 1.237 71 F HN 0.640 nan 8.300 nan 0.000 0.468 72 W N -0.551 120.925 121.300 0.293 0.000 3.074 72 W HA 0.810 5.473 4.660 0.005 0.000 0.332 72 W C -2.212 174.373 176.519 0.110 0.000 1.253 72 W CA -1.200 56.253 57.345 0.179 0.000 1.180 72 W CB 1.197 30.724 29.460 0.113 0.000 1.445 72 W HN 0.412 nan 8.180 nan 0.000 0.573 73 T N 2.283 117.003 114.554 0.277 0.000 2.937 73 T HA 0.593 4.946 4.350 0.004 0.000 0.297 73 T C -1.078 173.685 174.700 0.105 0.000 0.991 73 T CA -0.653 61.419 62.100 -0.046 0.000 0.990 73 T CB 1.422 70.190 68.868 -0.166 0.000 0.991 73 T HN 0.470 nan 8.240 nan 0.000 0.440 74 S N 2.402 118.154 115.700 0.086 0.000 2.503 74 S HA 0.776 5.249 4.470 0.004 0.000 0.301 74 S C -1.591 173.096 174.600 0.144 0.000 1.087 74 S CA -0.791 57.489 58.200 0.133 0.000 1.042 74 S CB 1.412 64.710 63.200 0.164 0.000 1.043 74 S HN 0.701 nan 8.310 nan 0.000 0.489 75 Y N 1.934 122.226 120.300 -0.014 0.000 2.333 75 Y HA 0.311 4.864 4.550 0.005 0.000 0.319 75 Y C -0.436 175.467 175.900 0.005 0.000 1.200 75 Y CA -0.934 57.155 58.100 -0.018 0.000 1.084 75 Y CB 0.472 38.906 38.460 -0.044 0.000 1.268 75 Y HN 0.805 nan 8.280 nan 0.000 0.422 76 N N 4.148 122.572 118.700 -0.459 0.000 2.740 76 N HA -0.160 4.583 4.740 0.004 0.000 0.248 76 N C 0.907 176.371 175.510 -0.076 0.000 1.062 76 N CA 2.275 55.095 53.050 -0.383 0.000 0.704 76 N CB -0.969 37.132 38.487 -0.643 0.000 0.968 76 N HN 1.575 nan 8.380 nan 0.000 0.547 77 G N -3.202 105.603 108.800 0.009 0.000 2.205 77 G HA2 -0.307 3.655 3.960 0.004 0.000 0.261 77 G HA3 -0.307 3.655 3.960 0.004 0.000 0.261 77 G C 0.102 175.142 174.900 0.234 0.000 0.980 77 G CA 0.328 45.504 45.100 0.127 0.000 0.632 77 G HN 0.552 nan 8.290 nan 0.000 0.533 78 V N 1.229 121.217 119.914 0.123 0.000 2.472 78 V HA 0.740 4.863 4.120 0.004 0.000 0.290 78 V C 0.278 176.423 176.094 0.085 0.000 1.037 78 V CA 0.095 62.444 62.300 0.083 0.000 0.908 78 V CB 1.800 33.575 31.823 -0.081 0.000 0.985 78 V HN 0.283 nan 8.190 nan 0.000 0.454 79 T N 3.810 118.416 114.554 0.088 0.000 2.881 79 T HA 0.565 4.918 4.350 0.004 0.000 0.290 79 T C -0.688 174.086 174.700 0.123 0.000 1.000 79 T CA -0.403 61.759 62.100 0.103 0.000 0.978 79 T CB 1.747 70.644 68.868 0.048 0.000 0.997 79 T HN 0.333 nan 8.240 nan 0.000 0.443 80 V N 3.681 123.691 119.914 0.161 0.000 2.417 80 V HA 0.689 4.811 4.120 0.004 0.000 0.291 80 V C 0.056 176.302 176.094 0.254 0.000 1.024 80 V CA -0.755 61.649 62.300 0.174 0.000 0.861 80 V CB 1.570 33.477 31.823 0.140 0.000 0.985 80 V HN 1.065 nan 8.190 nan 0.000 0.436 81 S N 4.016 119.873 115.700 0.260 0.000 2.566 81 S HA 0.926 5.399 4.470 0.004 0.000 0.298 81 S C -0.879 173.903 174.600 0.303 0.000 1.083 81 S CA -0.784 57.618 58.200 0.337 0.000 0.978 81 S CB 2.211 65.609 63.200 0.330 0.000 1.073 81 S HN 0.414 nan 8.310 nan 0.000 0.491 82 V N 1.026 121.156 119.914 0.361 0.000 2.925 82 V HA 0.909 5.032 4.120 0.004 0.000 0.311 82 V C 0.900 177.238 176.094 0.407 0.000 1.104 82 V CA 0.323 62.819 62.300 0.327 0.000 0.954 82 V CB 0.993 32.976 31.823 0.268 0.000 1.022 82 V HN 1.643 nan 8.190 nan 0.000 0.427 83 G N 3.453 112.445 108.800 0.320 0.000 2.826 83 G HA2 -0.213 3.749 3.960 0.004 0.000 0.233 83 G HA3 -0.213 3.749 3.960 0.004 0.000 0.233 83 G C -0.060 175.014 174.900 0.290 0.000 1.296 83 G CA 0.254 45.550 45.100 0.326 0.000 1.001 83 G HN 0.953 nan 8.290 nan 0.000 0.576 84 N N 1.646 120.512 118.700 0.276 0.000 2.807 84 N HA 0.432 5.175 4.740 0.004 0.000 0.259 84 N C 0.620 176.353 175.510 0.372 0.000 1.149 84 N CA 0.488 53.689 53.050 0.251 0.000 1.042 84 N CB -0.021 38.497 38.487 0.052 0.000 1.367 84 N HN 1.262 nan 8.380 nan 0.000 0.516 85 V N -0.459 119.664 119.914 0.348 0.000 3.170 85 V HA 0.506 4.629 4.120 0.004 0.000 0.309 85 V C 0.350 176.646 176.094 0.337 0.000 1.071 85 V CA -0.809 61.686 62.300 0.325 0.000 1.063 85 V CB 1.129 33.103 31.823 0.252 0.000 1.123 85 V HN 0.270 nan 8.190 nan 0.000 0.464 86 D N 1.850 122.395 120.400 0.242 0.000 2.210 86 D HA 0.425 5.067 4.640 0.004 0.000 0.249 86 D C 0.294 176.712 176.300 0.198 0.000 1.078 86 D CA 0.198 54.318 54.000 0.200 0.000 0.875 86 D CB 1.826 42.677 40.800 0.085 0.000 1.175 86 D HN 0.995 nan 8.370 nan 0.000 0.440 87 T N -1.743 112.938 114.554 0.212 0.000 2.934 87 T HA 0.514 4.866 4.350 0.004 0.000 0.283 87 T C 1.289 176.054 174.700 0.109 0.000 1.005 87 T CA -0.729 61.486 62.100 0.193 0.000 1.041 87 T CB 1.846 70.875 68.868 0.269 0.000 1.042 87 T HN 0.247 nan 8.240 nan 0.000 0.505 88 A N 1.185 124.053 122.820 0.080 0.000 1.883 88 A HA 0.002 4.324 4.320 0.004 0.000 0.217 88 A C 1.864 179.382 177.584 -0.111 0.000 1.186 88 A CA 1.317 53.347 52.037 -0.011 0.000 0.624 88 A CB -1.258 17.770 19.000 0.046 0.000 0.822 88 A HN 0.860 nan 8.150 nan 0.000 0.444 89 F N 0.432 120.263 119.950 -0.200 0.000 2.216 89 F HA -0.134 4.396 4.527 0.005 0.000 0.300 89 F C 1.804 177.362 175.800 -0.404 0.000 1.085 89 F CA 1.983 59.765 58.000 -0.364 0.000 1.326 89 F CB -0.099 38.548 39.000 -0.588 0.000 1.027 89 F HN 0.371 nan 8.300 nan 0.000 0.497 90 D N -1.581 118.795 120.400 -0.041 0.000 2.333 90 D HA -0.030 4.612 4.640 0.004 0.000 0.208 90 D C 1.858 178.166 176.300 0.014 0.000 0.984 90 D CA 0.892 54.968 54.000 0.128 0.000 0.873 90 D CB 0.198 41.228 40.800 0.384 0.000 0.935 90 D HN 0.122 nan 8.370 nan 0.000 0.521 91 S N -0.544 115.046 115.700 -0.184 0.000 2.483 91 S HA 0.082 4.555 4.470 0.004 0.000 0.221 91 S C 0.744 174.991 174.600 -0.588 0.000 1.030 91 S CA -0.041 57.968 58.200 -0.319 0.000 0.925 91 S CB 0.317 63.331 63.200 -0.311 0.000 0.795 91 S HN 0.227 nan 8.310 nan 0.000 0.511 92 V N 1.602 121.091 119.914 -0.709 0.000 3.178 92 V HA 0.485 4.608 4.120 0.004 0.000 0.306 92 V C 0.644 176.600 176.094 -0.229 0.000 1.107 92 V CA -1.001 60.992 62.300 -0.511 0.000 1.195 92 V CB -0.489 31.195 31.823 -0.231 0.000 0.993 92 V HN 0.318 nan 8.190 nan 0.000 0.493 93 A N 2.896 125.691 122.820 -0.040 0.000 2.313 93 A HA 0.685 5.007 4.320 0.004 0.000 0.261 93 A C 1.038 178.649 177.584 0.045 0.000 1.090 93 A CA 0.107 52.151 52.037 0.010 0.000 0.807 93 A CB 0.004 19.041 19.000 0.062 0.000 1.055 93 A HN 1.592 nan 8.150 nan 0.000 0.492 94 L N -1.215 120.027 121.223 0.032 0.000 3.570 94 L HA -0.306 4.036 4.340 0.004 0.000 0.382 94 L C 2.014 178.832 176.870 -0.087 0.000 0.698 94 L CA 1.655 56.545 54.840 0.084 0.000 2.990 94 L CB -1.992 40.232 42.059 0.276 0.000 0.731 94 L HN 0.851 nan 8.230 nan 0.000 0.725 95 T N -1.159 113.162 114.554 -0.389 0.000 2.822 95 T HA -0.163 4.190 4.350 0.004 0.000 0.270 95 T C 1.053 175.307 174.700 -0.743 0.000 1.064 95 T CA 2.256 63.811 62.100 -0.908 0.000 1.131 95 T CB -0.195 67.718 68.868 -1.591 0.000 0.858 95 T HN 0.438 nan 8.240 nan 0.000 0.483 96 Y N 0.276 120.406 120.300 -0.284 0.000 2.584 96 Y HA 0.346 4.899 4.550 0.004 0.000 0.254 96 Y C 1.366 177.087 175.900 -0.298 0.000 1.177 96 Y CA -1.068 56.874 58.100 -0.264 0.000 1.216 96 Y CB 0.225 38.559 38.460 -0.210 0.000 1.172 96 Y HN 0.158 nan 8.280 nan 0.000 0.529 97 D N -0.588 119.646 120.400 -0.277 0.000 2.392 97 D HA -0.108 4.534 4.640 0.004 0.000 0.228 97 D C 1.947 177.899 176.300 -0.580 0.000 1.003 97 D CA 1.165 54.938 54.000 -0.378 0.000 0.917 97 D CB -0.030 40.586 40.800 -0.306 0.000 0.890 97 D HN 0.348 nan 8.370 nan 0.000 0.532 98 S N -0.628 114.706 115.700 -0.611 0.000 2.528 98 S HA 0.003 4.475 4.470 0.004 0.000 0.219 98 S C 0.757 175.240 174.600 -0.195 0.000 0.985 98 S CA -0.330 57.633 58.200 -0.395 0.000 0.914 98 S CB 0.017 62.989 63.200 -0.379 0.000 0.776 98 S HN 0.120 nan 8.310 nan 0.000 0.526 99 E N 1.704 121.788 120.200 -0.193 0.000 2.467 99 E HA 0.297 4.650 4.350 0.004 0.000 0.264 99 E C 0.089 176.662 176.600 -0.045 0.000 1.020 99 E CA 0.502 56.821 56.400 -0.135 0.000 0.945 99 E CB 0.251 29.867 29.700 -0.140 0.000 0.942 99 E HN 0.668 nan 8.360 nan 0.000 0.449 100 M N -0.773 118.816 119.600 -0.018 0.000 2.924 100 M HA 0.700 5.182 4.480 0.004 0.000 0.271 100 M C -0.113 176.192 176.300 0.008 0.000 1.280 100 M CA -0.554 54.766 55.300 0.034 0.000 0.813 100 M CB 1.717 34.391 32.600 0.123 0.000 1.658 100 M HN 0.604 nan 8.290 nan 0.000 0.467 101 G N 0.337 109.165 108.800 0.046 0.000 2.795 101 G HA2 -0.259 3.703 3.960 0.004 0.000 0.664 101 G HA3 -0.259 3.703 3.960 0.004 0.000 0.664 101 G C -0.584 174.348 174.900 0.052 0.000 1.381 101 G CA 0.322 45.459 45.100 0.062 0.000 0.853 101 G HN 1.801 nan 8.290 nan 0.000 0.545 102 Y N -1.280 118.998 120.300 -0.037 0.000 2.509 102 Y HA 0.332 4.884 4.550 0.004 0.000 0.293 102 Y C 1.885 177.734 175.900 -0.084 0.000 1.133 102 Y CA 1.777 59.838 58.100 -0.066 0.000 1.283 102 Y CB 0.127 38.549 38.460 -0.063 0.000 1.001 102 Y HN 0.560 nan 8.280 nan 0.000 0.555 103 E N 1.052 120.927 120.200 -0.542 0.000 2.463 103 E HA 0.345 4.698 4.350 0.004 0.000 0.193 103 E C 0.623 177.042 176.600 -0.301 0.000 1.041 103 E CA 0.202 56.293 56.400 -0.515 0.000 0.879 103 E CB 0.180 29.518 29.700 -0.604 0.000 0.997 103 E HN 0.476 nan 8.360 nan 0.000 0.478 104 A N 1.915 124.601 122.820 -0.223 0.000 2.312 104 A HA -0.191 4.131 4.320 0.004 0.000 0.286 104 A C 0.378 177.835 177.584 -0.211 0.000 1.425 104 A CA 0.830 52.754 52.037 -0.188 0.000 0.748 104 A CB -2.060 16.820 19.000 -0.200 0.000 1.126 104 A HN 0.324 nan 8.150 nan 0.000 0.368 105 S N -0.792 114.784 115.700 -0.206 0.000 2.607 105 S HA 0.926 5.399 4.470 0.004 0.000 0.303 105 S C -0.194 174.256 174.600 -0.250 0.000 1.086 105 S CA 0.020 58.069 58.200 -0.251 0.000 0.995 105 S CB 2.150 65.174 63.200 -0.293 0.000 1.084 105 S HN 2.075 nan 8.310 nan 0.000 0.507 106 S N 0.040 115.536 115.700 -0.340 0.000 2.570 106 S HA 0.438 4.911 4.470 0.004 0.000 0.286 106 S C -0.715 173.643 174.600 -0.402 0.000 1.143 106 S CA -0.694 57.250 58.200 -0.427 0.000 0.921 106 S CB 0.165 63.035 63.200 -0.550 0.000 1.108 106 S HN 0.550 nan 8.310 nan 0.000 0.456 107 F N 2.932 122.775 119.950 -0.178 0.000 2.502 107 F HA 0.190 4.719 4.527 0.004 0.000 0.298 107 F C 2.385 178.144 175.800 -0.068 0.000 1.111 107 F CA 1.220 59.142 58.000 -0.131 0.000 1.445 107 F CB -0.169 38.642 39.000 -0.315 0.000 1.081 107 F HN 0.757 nan 8.300 nan 0.000 0.558 108 G N -1.202 107.483 108.800 -0.193 0.000 2.744 108 G HA2 -0.094 3.869 3.960 0.004 0.000 0.211 108 G HA3 -0.094 3.869 3.960 0.004 0.000 0.211 108 G C 0.390 175.262 174.900 -0.047 0.000 1.143 108 G CA -0.030 45.019 45.100 -0.085 0.000 0.788 108 G HN 0.091 nan 8.290 nan 0.000 0.534 109 D N 0.658 120.989 120.400 -0.115 0.000 2.357 109 D HA 0.426 5.068 4.640 0.004 0.000 0.242 109 D C 0.775 176.927 176.300 -0.247 0.000 1.153 109 D CA -0.047 53.871 54.000 -0.136 0.000 0.918 109 D CB 1.168 41.956 40.800 -0.019 0.000 1.181 109 D HN 0.184 nan 8.370 nan 0.000 0.435 110 A N 1.759 124.214 122.820 -0.609 0.000 2.565 110 A HA -0.027 4.296 4.320 0.004 0.000 0.237 110 A C 0.432 177.888 177.584 -0.214 0.000 1.053 110 A CA 0.116 51.685 52.037 -0.781 0.000 0.755 110 A CB 0.109 18.591 19.000 -0.864 0.000 0.980 110 A HN 0.328 nan 8.150 nan 0.000 0.506 111 Q N 1.762 121.460 119.800 -0.171 0.000 3.041 111 Q HA 0.214 4.556 4.340 0.004 0.000 0.372 111 Q C -0.131 175.827 176.000 -0.070 0.000 1.241 111 Q CA 0.164 55.926 55.803 -0.068 0.000 1.010 111 Q CB -0.117 28.572 28.738 -0.081 0.000 1.467 111 Q HN 0.850 nan 8.270 nan 0.000 0.462 112 S N -1.684 114.004 115.700 -0.020 0.000 2.740 112 S HA 0.692 5.164 4.470 0.004 0.000 0.300 112 S C -0.175 174.407 174.600 -0.030 0.000 1.147 112 S CA -0.806 57.378 58.200 -0.027 0.000 0.871 112 S CB 1.932 65.098 63.200 -0.057 0.000 1.173 112 S HN 0.018 nan 8.310 nan 0.000 0.510 113 S N 1.112 116.756 115.700 -0.092 0.000 2.449 113 S HA 0.857 5.330 4.470 0.004 0.000 0.310 113 S C -1.113 173.381 174.600 -0.176 0.000 1.096 113 S CA -0.678 57.389 58.200 -0.221 0.000 1.095 113 S CB -0.035 63.041 63.200 -0.206 0.000 1.007 113 S HN 0.671 nan 8.310 nan 0.000 0.474 114 F N 0.131 119.933 119.950 -0.246 0.000 2.693 114 F HA 0.711 5.241 4.527 0.004 0.000 0.309 114 F C -1.517 174.229 175.800 -0.090 0.000 1.129 114 F CA -1.708 56.119 58.000 -0.290 0.000 0.948 114 F CB 0.371 39.186 39.000 -0.308 0.000 1.315 114 F HN 0.266 nan 8.300 nan 0.000 0.447 115 F N 1.917 121.977 119.950 0.185 0.000 2.410 115 F HA 0.751 5.280 4.527 0.004 0.000 0.334 115 F C 0.633 176.599 175.800 0.277 0.000 1.134 115 F CA -0.237 57.865 58.000 0.171 0.000 1.227 115 F CB 1.075 40.204 39.000 0.215 0.000 1.194 115 F HN 0.928 nan 8.300 nan 0.000 0.571 116 A N 1.413 124.477 122.820 0.407 0.000 2.599 116 A HA 0.468 4.790 4.320 0.004 0.000 0.290 116 A C -1.775 175.951 177.584 0.237 0.000 1.101 116 A CA -0.833 51.404 52.037 0.334 0.000 0.674 116 A CB 0.119 19.289 19.000 0.283 0.000 1.277 116 A HN 0.574 nan 8.150 nan 0.000 0.419 117 Y N 2.064 122.432 120.300 0.114 0.000 2.895 117 Y HA 0.052 4.605 4.550 0.004 0.000 0.334 117 Y C 0.028 175.917 175.900 -0.018 0.000 1.261 117 Y CA 0.576 58.709 58.100 0.055 0.000 1.560 117 Y CB 0.315 38.800 38.460 0.042 0.000 1.253 117 Y HN 0.538 nan 8.280 nan 0.000 0.582 118 N N 4.982 123.317 118.700 -0.608 0.000 2.420 118 N HA 0.061 4.803 4.740 0.004 0.000 0.249 118 N C 0.355 175.477 175.510 -0.647 0.000 1.033 118 N CA -0.015 52.720 53.050 -0.524 0.000 0.944 118 N CB 1.599 39.785 38.487 -0.502 0.000 1.113 118 N HN 0.653 nan 8.380 nan 0.000 0.502 119 S N 1.640 117.130 115.700 -0.351 0.000 2.481 119 S HA 0.012 4.485 4.470 0.004 0.000 0.231 119 S C 0.569 175.070 174.600 -0.165 0.000 0.996 119 S CA 1.001 59.084 58.200 -0.195 0.000 0.942 119 S CB 0.310 63.478 63.200 -0.053 0.000 0.768 119 S HN 0.506 nan 8.310 nan 0.000 0.520 120 K N -0.157 120.116 120.400 -0.212 0.000 2.469 120 K HA 0.396 4.718 4.320 0.004 0.000 0.268 120 K C -0.955 175.537 176.600 -0.179 0.000 1.027 120 K CA -1.029 55.156 56.287 -0.170 0.000 0.893 120 K CB 1.028 33.370 32.500 -0.264 0.000 1.460 120 K HN 0.163 nan 8.250 nan 0.000 0.449 121 Y N -0.787 119.462 120.300 -0.085 0.000 2.296 121 Y HA 0.316 4.868 4.550 0.004 0.000 0.343 121 Y C -0.204 175.649 175.900 -0.078 0.000 1.292 121 Y CA -0.376 57.679 58.100 -0.075 0.000 1.490 121 Y CB 0.472 38.915 38.460 -0.029 0.000 1.359 121 Y HN 0.350 nan 8.280 nan 0.000 0.599 122 D N 0.729 121.144 120.400 0.024 0.000 2.505 122 D HA 0.352 4.995 4.640 0.004 0.000 0.250 122 D C 0.266 176.654 176.300 0.148 0.000 1.164 122 D CA -0.268 53.694 54.000 -0.065 0.000 0.870 122 D CB 1.792 42.534 40.800 -0.098 0.000 1.160 122 D HN 0.854 nan 8.370 nan 0.000 0.549 123 A N 2.661 125.603 122.820 0.203 0.000 2.070 123 A HA -0.132 4.191 4.320 0.004 0.000 0.220 123 A C 1.962 179.619 177.584 0.121 0.000 1.159 123 A CA 1.726 53.918 52.037 0.258 0.000 0.656 123 A CB -0.304 18.887 19.000 0.318 0.000 0.800 123 A HN 0.568 nan 8.150 nan 0.000 0.453 124 S N -1.670 114.068 115.700 0.062 0.000 2.481 124 S HA 0.274 4.747 4.470 0.004 0.000 0.231 124 S C 1.600 176.220 174.600 0.034 0.000 0.996 124 S CA 1.287 59.508 58.200 0.036 0.000 0.942 124 S CB -0.503 62.702 63.200 0.009 0.000 0.768 124 S HN 1.915 nan 8.310 nan 0.000 0.520 125 G N 0.520 109.343 108.800 0.038 0.000 2.176 125 G HA2 -0.241 3.722 3.960 0.004 0.000 0.253 125 G HA3 -0.241 3.722 3.960 0.004 0.000 0.253 125 G C 1.003 175.916 174.900 0.022 0.000 0.979 125 G CA 0.322 45.441 45.100 0.031 0.000 0.641 125 G HN 1.246 nan 8.290 nan 0.000 0.530 126 A N -0.178 122.650 122.820 0.012 0.000 1.972 126 A HA 0.331 4.654 4.320 0.004 0.000 0.219 126 A C 2.184 179.774 177.584 0.011 0.000 1.169 126 A CA 1.727 53.774 52.037 0.016 0.000 0.635 126 A CB -0.235 18.772 19.000 0.012 0.000 0.810 126 A HN 0.886 nan 8.150 nan 0.000 0.446 127 L N -0.539 120.661 121.223 -0.038 0.000 2.592 127 L HA 0.033 4.376 4.340 0.004 0.000 0.227 127 L C 1.051 177.918 176.870 -0.005 0.000 1.127 127 L CA -0.090 54.699 54.840 -0.085 0.000 0.884 127 L CB -0.283 41.622 42.059 -0.257 0.000 1.065 127 L HN 0.179 nan 8.230 nan 0.000 0.457 128 D N 0.979 121.392 120.400 0.021 0.000 2.133 128 D HA -0.187 4.456 4.640 0.004 0.000 0.195 128 D C 1.297 177.631 176.300 0.057 0.000 0.997 128 D CA 1.398 55.419 54.000 0.036 0.000 0.840 128 D CB -0.013 40.806 40.800 0.033 0.000 0.947 128 D HN 0.249 nan 8.370 nan 0.000 0.452 129 N N -0.740 118.003 118.700 0.072 0.000 2.282 129 N HA -0.029 4.714 4.740 0.004 0.000 0.240 129 N C -0.546 175.021 175.510 0.095 0.000 1.182 129 N CA -0.293 52.802 53.050 0.074 0.000 0.874 129 N CB 0.588 39.106 38.487 0.051 0.000 1.126 129 N HN 0.201 nan 8.380 nan 0.000 0.516 130 Y N 2.114 122.381 120.300 -0.056 0.000 2.465 130 Y HA 0.224 4.776 4.550 0.004 0.000 0.331 130 Y C -0.358 175.495 175.900 -0.077 0.000 1.102 130 Y CA -0.088 57.943 58.100 -0.115 0.000 1.358 130 Y CB 0.204 38.555 38.460 -0.181 0.000 1.213 130 Y HN -0.021 nan 8.280 nan 0.000 0.525 131 N N 3.532 122.100 118.700 -0.219 0.000 2.369 131 N HA 0.616 5.358 4.740 0.004 0.000 0.287 131 N C -1.119 174.247 175.510 -0.240 0.000 1.067 131 N CA -0.282 52.714 53.050 -0.089 0.000 0.888 131 N CB 1.708 40.207 38.487 0.020 0.000 1.616 131 N HN 0.889 nan 8.380 nan 0.000 0.482 132 G N 1.551 110.297 108.800 -0.090 0.000 2.630 132 G HA2 0.717 4.680 3.960 0.004 0.000 0.296 132 G HA3 0.717 4.680 3.960 0.004 0.000 0.296 132 G C -1.321 173.669 174.900 0.152 0.000 1.285 132 G CA -0.421 44.653 45.100 -0.044 0.000 0.958 132 G HN 0.449 nan 8.290 nan 0.000 0.479 133 I N 0.376 121.089 120.570 0.237 0.000 2.533 133 I HA 0.668 4.841 4.170 0.004 0.000 0.290 133 I C -0.044 176.225 176.117 0.254 0.000 1.056 133 I CA -0.937 60.519 61.300 0.260 0.000 1.057 133 I CB 1.304 39.473 38.000 0.281 0.000 1.240 133 I HN 0.688 nan 8.210 nan 0.000 0.423 134 A N 5.709 128.663 122.820 0.225 0.000 2.475 134 A HA 0.909 5.232 4.320 0.004 0.000 0.301 134 A C -1.341 176.355 177.584 0.186 0.000 1.059 134 A CA -0.547 51.615 52.037 0.208 0.000 0.710 134 A CB 2.138 21.258 19.000 0.200 0.000 1.288 134 A HN 0.382 nan 8.150 nan 0.000 0.408 135 V N 1.339 121.356 119.914 0.172 0.000 2.686 135 V HA 0.753 4.876 4.120 0.004 0.000 0.306 135 V C -0.128 176.040 176.094 0.124 0.000 1.065 135 V CA -0.160 62.224 62.300 0.141 0.000 0.894 135 V CB 2.018 33.919 31.823 0.131 0.000 1.004 135 V HN 1.245 nan 8.190 nan 0.000 0.424 136 T N 0.943 115.550 114.554 0.089 0.000 2.907 136 T HA 0.790 5.142 4.350 0.004 0.000 0.292 136 T C -1.466 173.288 174.700 0.090 0.000 1.043 136 T CA -0.802 61.307 62.100 0.015 0.000 1.003 136 T CB 2.350 71.192 68.868 -0.044 0.000 1.084 136 T HN 0.622 nan 8.240 nan 0.000 0.483 137 Y N 0.813 121.015 120.300 -0.162 0.000 2.401 137 Y HA 0.576 5.129 4.550 0.005 0.000 0.330 137 Y C -1.227 174.585 175.900 -0.147 0.000 1.071 137 Y CA -1.511 56.521 58.100 -0.113 0.000 1.049 137 Y CB 2.197 40.620 38.460 -0.062 0.000 1.239 137 Y HN 0.833 nan 8.280 nan 0.000 0.437 138 S N 7.549 122.999 115.700 -0.417 0.000 2.474 138 S HA 0.420 4.893 4.470 0.004 0.000 0.320 138 S C -0.094 174.102 174.600 -0.675 0.000 1.067 138 S CA -0.549 57.383 58.200 -0.448 0.000 1.127 138 S CB 0.178 63.244 63.200 -0.224 0.000 0.971 138 S HN 0.646 nan 8.310 nan 0.000 0.472 139 I N 3.342 123.518 120.570 -0.658 0.000 2.517 139 I HA 0.263 4.436 4.170 0.004 0.000 0.289 139 I C 0.031 176.028 176.117 -0.200 0.000 1.149 139 I CA 0.031 61.031 61.300 -0.500 0.000 1.189 139 I CB -0.364 37.345 38.000 -0.484 0.000 1.641 139 I HN 0.628 nan 8.210 nan 0.000 0.560 140 S N 4.522 120.128 115.700 -0.157 0.000 3.798 140 S HA -0.167 4.306 4.470 0.004 0.000 0.351 140 S C 1.214 175.800 174.600 -0.024 0.000 0.789 140 S CA 1.176 59.331 58.200 -0.076 0.000 1.322 140 S CB -1.054 62.121 63.200 -0.042 0.000 1.663 140 S HN 1.534 nan 8.310 nan 0.000 0.521 141 G N 2.344 111.109 108.800 -0.059 0.000 2.498 141 G HA2 -0.287 3.676 3.960 0.004 0.000 0.229 141 G HA3 -0.287 3.676 3.960 0.004 0.000 0.229 141 G C 0.241 175.137 174.900 -0.007 0.000 1.156 141 G CA 0.051 45.102 45.100 -0.081 0.000 0.680 141 G HN 1.649 nan 8.290 nan 0.000 0.512 142 V N 1.582 121.548 119.914 0.086 0.000 2.509 142 V HA 0.573 4.696 4.120 0.004 0.000 0.284 142 V C 0.086 176.140 176.094 -0.066 0.000 1.047 142 V CA -0.364 61.993 62.300 0.096 0.000 0.952 142 V CB 1.440 33.321 31.823 0.097 0.000 0.988 142 V HN 0.490 nan 8.190 nan 0.000 0.469 143 N N 4.183 122.849 118.700 -0.056 0.000 2.295 143 N HA 0.579 5.321 4.740 0.004 0.000 0.293 143 N C -1.622 173.734 175.510 -0.256 0.000 1.040 143 N CA -0.783 52.129 53.050 -0.229 0.000 0.840 143 N CB 1.909 40.265 38.487 -0.218 0.000 1.468 143 N HN 0.350 nan 8.380 nan 0.000 0.478 144 L N 2.863 123.876 121.223 -0.351 0.000 2.334 144 L HA 0.546 4.889 4.340 0.004 0.000 0.276 144 L C -1.094 175.556 176.870 -0.367 0.000 1.014 144 L CA -0.513 54.225 54.840 -0.170 0.000 0.815 144 L CB 0.795 42.861 42.059 0.013 0.000 1.268 144 L HN 0.614 nan 8.230 nan 0.000 0.428 145 Y N 3.203 123.549 120.300 0.078 0.000 2.442 145 Y HA 0.662 5.215 4.550 0.004 0.000 0.344 145 Y C -0.419 175.514 175.900 0.055 0.000 0.976 145 Y CA -0.721 57.419 58.100 0.067 0.000 1.040 145 Y CB 2.298 40.787 38.460 0.048 0.000 1.228 145 Y HN 0.349 nan 8.280 nan 0.000 0.451 146 L N 2.811 124.161 121.223 0.210 0.000 2.455 146 L HA 0.800 5.142 4.340 0.004 0.000 0.264 146 L C -1.046 175.898 176.870 0.123 0.000 0.968 146 L CA -0.244 54.664 54.840 0.114 0.000 0.827 146 L CB 2.144 44.306 42.059 0.171 0.000 1.317 146 L HN 0.800 nan 8.230 nan 0.000 0.407 147 S N 2.065 117.782 115.700 0.028 0.000 2.541 147 S HA 0.653 5.126 4.470 0.004 0.000 0.271 147 S C -1.516 173.214 174.600 0.216 0.000 1.133 147 S CA -0.735 57.548 58.200 0.139 0.000 0.876 147 S CB 1.787 65.067 63.200 0.134 0.000 1.105 147 S HN 0.517 nan 8.310 nan 0.000 0.470 148 Y N 1.651 122.058 120.300 0.177 0.000 2.354 148 Y HA 0.680 5.233 4.550 0.004 0.000 0.330 148 Y C -1.918 174.049 175.900 0.112 0.000 1.011 148 Y CA -0.800 57.440 58.100 0.234 0.000 1.099 148 Y CB 1.512 40.146 38.460 0.291 0.000 1.179 148 Y HN 0.715 nan 8.280 nan 0.000 0.442 149 V N 5.979 125.613 119.914 -0.467 0.000 2.487 149 V HA 0.296 4.418 4.120 0.004 0.000 0.298 149 V C -1.074 174.588 176.094 -0.720 0.000 1.028 149 V CA -0.758 61.200 62.300 -0.571 0.000 0.860 149 V CB 1.655 33.240 31.823 -0.398 0.000 0.991 149 V HN 0.760 nan 8.190 nan 0.000 0.427 150 D N 7.179 127.150 120.400 -0.715 0.000 2.427 150 D HA 0.360 5.003 4.640 0.004 0.000 0.226 150 D C -1.411 174.645 176.300 -0.406 0.000 1.076 150 D CA -2.103 51.630 54.000 -0.444 0.000 0.849 150 D CB 2.515 43.169 40.800 -0.244 0.000 1.052 150 D HN 0.229 nan 8.370 nan 0.000 0.515 151 P HA -0.059 nan 4.420 nan 0.000 0.221 151 P C -0.055 177.231 177.300 -0.023 0.000 1.145 151 P CA 0.856 63.868 63.100 -0.147 0.000 0.795 151 P CB 0.594 32.351 31.700 0.096 0.000 0.775 152 D N -0.318 120.067 120.400 -0.025 0.000 2.337 152 D HA 0.032 4.675 4.640 0.004 0.000 0.238 152 D C 0.969 177.275 176.300 0.010 0.000 1.331 152 D CA -0.179 53.829 54.000 0.014 0.000 0.967 152 D CB 0.778 41.598 40.800 0.034 0.000 1.382 152 D HN 0.007 nan 8.370 nan 0.000 0.549 153 Q N 0.893 120.698 119.800 0.008 0.000 2.436 153 Q HA -0.072 4.270 4.340 0.004 0.000 0.209 153 Q C 1.119 177.140 176.000 0.035 0.000 0.965 153 Q CA 1.466 57.285 55.803 0.026 0.000 0.910 153 Q CB -0.100 28.657 28.738 0.032 0.000 0.980 153 Q HN 0.319 nan 8.270 nan 0.000 0.491 154 T N -2.542 112.031 114.554 0.032 0.000 3.043 154 T HA 0.157 4.510 4.350 0.004 0.000 0.263 154 T C 0.777 175.495 174.700 0.029 0.000 1.094 154 T CA -0.015 62.103 62.100 0.030 0.000 1.127 154 T CB -0.035 68.850 68.868 0.028 0.000 0.905 154 T HN 0.067 nan 8.240 nan 0.000 0.490 155 V N 2.711 122.643 119.914 0.030 0.000 2.686 155 V HA 0.221 4.343 4.120 0.004 0.000 0.295 155 V C 0.508 176.622 176.094 0.033 0.000 1.057 155 V CA -1.099 61.219 62.300 0.030 0.000 1.012 155 V CB 1.332 33.173 31.823 0.030 0.000 1.006 155 V HN 0.460 nan 8.190 nan 0.000 0.477 156 D N 2.594 123.012 120.400 0.030 0.000 2.586 156 D HA -0.050 4.593 4.640 0.004 0.000 0.234 156 D C 1.283 177.606 176.300 0.038 0.000 1.132 156 D CA 0.435 54.454 54.000 0.031 0.000 0.860 156 D CB 1.128 41.944 40.800 0.026 0.000 1.159 156 D HN 0.645 nan 8.370 nan 0.000 0.490 157 S N 2.391 118.119 115.700 0.046 0.000 2.372 157 S HA -0.257 4.215 4.470 0.004 0.000 0.227 157 S C 2.036 176.668 174.600 0.053 0.000 1.044 157 S CA 1.671 59.908 58.200 0.060 0.000 1.050 157 S CB -0.319 62.924 63.200 0.071 0.000 0.901 157 S HN 0.712 nan 8.310 nan 0.000 0.447 158 S N 1.897 117.623 115.700 0.042 0.000 2.465 158 S HA 0.021 4.494 4.470 0.004 0.000 0.241 158 S C 1.553 176.174 174.600 0.035 0.000 1.000 158 S CA 0.832 59.053 58.200 0.037 0.000 0.964 158 S CB -0.665 62.552 63.200 0.028 0.000 0.763 158 S HN 0.498 nan 8.310 nan 0.000 0.512 159 L N 1.179 122.422 121.223 0.035 0.000 2.477 159 L HA 0.305 4.648 4.340 0.004 0.000 0.220 159 L C 0.868 177.759 176.870 0.036 0.000 1.106 159 L CA -0.085 54.774 54.840 0.032 0.000 0.851 159 L CB -0.139 41.938 42.059 0.029 0.000 0.994 159 L HN 0.368 nan 8.230 nan 0.000 0.462 160 V N -3.727 116.212 119.914 0.042 0.000 2.881 160 V HA 0.537 4.659 4.120 0.004 0.000 0.316 160 V C -0.108 176.018 176.094 0.053 0.000 1.070 160 V CA -0.415 61.913 62.300 0.046 0.000 0.976 160 V CB 1.716 33.565 31.823 0.044 0.000 1.038 160 V HN -0.049 nan 8.190 nan 0.000 0.446 161 T N 3.420 118.008 114.554 0.056 0.000 2.743 161 T HA 0.536 4.888 4.350 0.004 0.000 0.292 161 T C -0.442 174.300 174.700 0.069 0.000 0.972 161 T CA -0.067 62.068 62.100 0.058 0.000 0.967 161 T CB 0.712 69.605 68.868 0.041 0.000 0.926 161 T HN 0.907 nan 8.240 nan 0.000 0.459 162 E N 1.925 122.167 120.200 0.071 0.000 2.242 162 E HA 0.358 4.710 4.350 0.004 0.000 0.275 162 E C -0.110 176.540 176.600 0.083 0.000 1.002 162 E CA -0.690 55.726 56.400 0.027 0.000 0.841 162 E CB 1.277 30.972 29.700 -0.007 0.000 1.109 162 E HN 0.558 nan 8.360 nan 0.000 0.394 163 E N 2.335 122.583 120.200 0.080 0.000 2.197 163 E HA 0.311 4.664 4.350 0.004 0.000 0.281 163 E C -1.451 175.282 176.600 0.222 0.000 0.995 163 E CA -0.567 55.910 56.400 0.128 0.000 0.808 163 E CB 0.682 30.483 29.700 0.169 0.000 1.093 163 E HN 0.354 nan 8.360 nan 0.000 0.394 164 F N 3.091 123.105 119.950 0.106 0.000 2.529 164 F HA 0.678 5.207 4.527 0.004 0.000 0.320 164 F C -0.536 175.343 175.800 0.132 0.000 1.118 164 F CA -0.354 57.752 58.000 0.177 0.000 0.915 164 F CB 1.943 41.074 39.000 0.218 0.000 1.161 164 F HN 0.450 nan 8.300 nan 0.000 0.445 165 G N 5.984 114.342 108.800 -0.736 0.000 2.620 165 G HA2 0.681 4.644 3.960 0.004 0.000 0.301 165 G HA3 0.681 4.644 3.960 0.004 0.000 0.301 165 G C -1.886 172.699 174.900 -0.525 0.000 1.347 165 G CA -0.889 43.937 45.100 -0.457 0.000 0.971 165 G HN 0.758 nan 8.290 nan 0.000 0.488 166 I N -0.302 120.167 120.570 -0.169 0.000 2.730 166 I HA 0.885 5.057 4.170 0.004 0.000 0.298 166 I C -0.000 176.192 176.117 0.125 0.000 1.089 166 I CA -1.194 60.103 61.300 -0.004 0.000 1.041 166 I CB 2.430 40.499 38.000 0.114 0.000 1.235 166 I HN 0.774 nan 8.210 nan 0.000 0.423 167 A N 3.272 126.204 122.820 0.187 0.000 2.612 167 A HA 0.997 5.320 4.320 0.004 0.000 0.293 167 A C -1.562 176.224 177.584 0.337 0.000 1.075 167 A CA -0.394 51.771 52.037 0.215 0.000 0.680 167 A CB 1.884 20.935 19.000 0.085 0.000 1.279 167 A HN 1.367 nan 8.150 nan 0.000 0.411 168 A N 1.021 124.007 122.820 0.276 0.000 2.566 168 A HA 0.806 5.129 4.320 0.004 0.000 0.297 168 A C -1.619 176.107 177.584 0.236 0.000 1.059 168 A CA 0.089 52.284 52.037 0.264 0.000 0.691 168 A CB 1.434 20.528 19.000 0.157 0.000 1.282 168 A HN 1.585 nan 8.150 nan 0.000 0.401 169 D N -0.554 119.999 120.400 0.256 0.000 2.661 169 D HA 0.643 5.286 4.640 0.004 0.000 0.228 169 D C -0.931 175.513 176.300 0.240 0.000 1.183 169 D CA -0.277 53.855 54.000 0.221 0.000 0.844 169 D CB 1.157 42.078 40.800 0.202 0.000 1.555 169 D HN 0.811 nan 8.370 nan 0.000 0.453 170 W N 1.387 122.705 121.300 0.029 0.000 3.127 170 W HA 0.682 5.344 4.660 0.003 0.000 0.330 170 W C -1.859 174.667 176.519 0.013 0.000 1.187 170 W CA -0.582 56.767 57.345 0.007 0.000 1.198 170 W CB 2.190 31.648 29.460 -0.005 0.000 1.408 170 W HN 0.527 nan 8.180 nan 0.000 0.529 171 S N 3.721 118.645 115.700 -1.294 0.000 2.535 171 S HA 0.507 4.979 4.470 0.004 0.000 0.272 171 S C -0.861 172.989 174.600 -1.251 0.000 1.149 171 S CA -0.626 56.834 58.200 -1.234 0.000 0.888 171 S CB 0.701 63.601 63.200 -0.500 0.000 1.110 171 S HN 0.723 nan 8.310 nan 0.000 0.463 172 N N 2.135 120.247 118.700 -0.980 0.000 3.178 172 N HA 0.462 5.205 4.740 0.004 0.000 0.352 172 N C 0.085 175.430 175.510 -0.276 0.000 1.423 172 N CA -0.343 52.428 53.050 -0.465 0.000 0.698 172 N CB -0.559 37.809 38.487 -0.199 0.000 1.400 172 N HN 0.436 nan 8.380 nan 0.000 0.586 173 D N -1.147 119.163 120.400 -0.149 0.000 2.224 173 D HA 0.018 4.661 4.640 0.004 0.000 0.205 173 D C 1.205 177.429 176.300 -0.125 0.000 0.965 173 D CA 1.570 55.496 54.000 -0.123 0.000 0.852 173 D CB 0.013 40.764 40.800 -0.082 0.000 0.947 173 D HN 0.635 nan 8.370 nan 0.000 0.494 174 M N -1.736 117.810 119.600 -0.091 0.000 2.249 174 M HA 0.324 4.806 4.480 0.004 0.000 0.318 174 M C -0.203 176.104 176.300 0.013 0.000 0.930 174 M CA 0.050 55.297 55.300 -0.089 0.000 1.080 174 M CB 1.298 33.849 32.600 -0.082 0.000 1.797 174 M HN -0.243 nan 8.290 nan 0.000 0.619 175 I N 1.228 121.820 120.570 0.037 0.000 2.569 175 I HA 0.520 4.693 4.170 0.004 0.000 0.296 175 I C -0.736 175.358 176.117 -0.039 0.000 1.028 175 I CA -0.696 60.685 61.300 0.135 0.000 1.082 175 I CB 2.418 40.592 38.000 0.289 0.000 1.264 175 I HN 0.049 nan 8.210 nan 0.000 0.429 176 S N 5.798 121.532 115.700 0.057 0.000 2.541 176 S HA 0.755 5.228 4.470 0.004 0.000 0.280 176 S C -0.853 173.841 174.600 0.156 0.000 1.112 176 S CA -0.629 57.580 58.200 0.015 0.000 0.925 176 S CB 1.973 65.174 63.200 0.002 0.000 1.067 176 S HN 0.334 nan 8.310 nan 0.000 0.479 177 L N 1.782 123.138 121.223 0.222 0.000 2.388 177 L HA 0.962 5.304 4.340 0.004 0.000 0.264 177 L C -0.519 176.426 176.870 0.125 0.000 0.998 177 L CA -0.702 54.246 54.840 0.181 0.000 0.817 177 L CB 2.054 44.261 42.059 0.246 0.000 1.338 177 L HN 0.794 nan 8.230 nan 0.000 0.414 178 A N 1.942 124.759 122.820 -0.006 0.000 2.574 178 A HA 0.984 5.306 4.320 0.004 0.000 0.297 178 A C -1.524 175.872 177.584 -0.313 0.000 1.062 178 A CA -0.193 51.821 52.037 -0.038 0.000 0.686 178 A CB 2.042 21.109 19.000 0.112 0.000 1.285 178 A HN 0.869 nan 8.150 nan 0.000 0.403 179 A N 0.052 122.771 122.820 -0.168 0.000 2.594 179 A HA 1.046 5.368 4.320 0.004 0.000 0.295 179 A C -0.550 177.065 177.584 0.051 0.000 1.071 179 A CA 0.046 51.965 52.037 -0.197 0.000 0.685 179 A CB 1.306 20.254 19.000 -0.087 0.000 1.285 179 A HN 2.704 nan 8.150 nan 0.000 0.405 180 A N 0.168 123.083 122.820 0.157 0.000 2.594 180 A HA 0.793 5.115 4.320 0.004 0.000 0.295 180 A C -1.871 175.967 177.584 0.423 0.000 1.071 180 A CA -0.383 51.807 52.037 0.255 0.000 0.685 180 A CB 1.209 20.294 19.000 0.142 0.000 1.285 180 A HN 2.041 nan 8.150 nan 0.000 0.405 181 Y N 0.286 120.729 120.300 0.239 0.000 2.441 181 Y HA 0.651 5.203 4.550 0.004 0.000 0.334 181 Y C -0.827 175.148 175.900 0.124 0.000 1.061 181 Y CA -0.119 58.103 58.100 0.204 0.000 1.032 181 Y CB 2.302 40.856 38.460 0.157 0.000 1.266 181 Y HN 0.719 nan 8.280 nan 0.000 0.441 182 T N 4.089 118.303 114.554 -0.567 0.000 2.928 182 T HA 0.434 4.786 4.350 0.004 0.000 0.296 182 T C -0.797 173.564 174.700 -0.566 0.000 1.000 182 T CA -0.806 61.032 62.100 -0.435 0.000 0.989 182 T CB 1.220 69.876 68.868 -0.353 0.000 1.005 182 T HN 0.652 nan 8.240 nan 0.000 0.442 183 T N -0.025 114.370 114.554 -0.265 0.000 2.867 183 T HA 0.489 4.842 4.350 0.004 0.000 0.282 183 T C -0.228 174.432 174.700 -0.066 0.000 1.000 183 T CA -0.749 61.270 62.100 -0.136 0.000 1.042 183 T CB 0.660 69.587 68.868 0.097 0.000 0.973 183 T HN 0.612 nan 8.240 nan 0.000 0.465 184 D N -0.080 120.273 120.400 -0.079 0.000 2.723 184 D HA -0.154 4.489 4.640 0.004 0.000 0.236 184 D C 0.507 176.713 176.300 -0.157 0.000 1.138 184 D CA 0.961 54.915 54.000 -0.077 0.000 0.676 184 D CB -1.612 39.184 40.800 -0.007 0.000 1.069 184 D HN 1.132 nan 8.370 nan 0.000 0.430 185 A N -0.289 122.399 122.820 -0.220 0.000 2.546 185 A HA 0.426 4.748 4.320 0.004 0.000 0.243 185 A C 1.806 179.129 177.584 -0.435 0.000 1.063 185 A CA 1.235 53.093 52.037 -0.298 0.000 0.757 185 A CB 0.198 19.014 19.000 -0.307 0.000 0.991 185 A HN 1.227 nan 8.150 nan 0.000 0.503 186 G N 1.228 109.522 108.800 -0.843 0.000 2.155 186 G HA2 0.137 4.099 3.960 0.004 0.000 0.257 186 G HA3 0.137 4.099 3.960 0.004 0.000 0.257 186 G C 1.642 175.940 174.900 -1.004 0.000 0.983 186 G CA 0.986 45.294 45.100 -1.320 0.000 0.676 186 G HN 2.865 nan 8.290 nan 0.000 0.528 187 G N -1.210 107.227 108.800 -0.605 0.000 2.147 187 G HA2 -0.231 3.732 3.960 0.004 0.000 0.244 187 G HA3 -0.231 3.732 3.960 0.004 0.000 0.244 187 G C 0.235 175.077 174.900 -0.097 0.000 1.005 187 G CA 0.479 45.500 45.100 -0.131 0.000 0.713 187 G HN 1.404 nan 8.290 nan 0.000 0.515 188 I N 1.212 121.689 120.570 -0.154 0.000 2.312 188 I HA 0.304 4.476 4.170 0.004 0.000 0.290 188 I C 0.962 177.035 176.117 -0.072 0.000 1.008 188 I CA -1.160 60.080 61.300 -0.100 0.000 1.226 188 I CB 1.643 39.569 38.000 -0.122 0.000 1.371 188 I HN -0.092 nan 8.210 nan 0.000 0.468 189 V N 6.663 126.555 119.914 -0.037 0.000 2.617 189 V HA -0.073 4.050 4.120 0.004 0.000 0.304 189 V C 0.691 176.772 176.094 -0.022 0.000 1.040 189 V CA 0.609 62.899 62.300 -0.017 0.000 1.149 189 V CB 0.007 31.829 31.823 -0.001 0.000 0.914 189 V HN 0.929 nan 8.190 nan 0.000 0.487 190 D N 2.118 122.510 120.400 -0.013 0.000 3.028 190 D HA -0.183 4.460 4.640 0.004 0.000 0.207 190 D C 0.586 176.867 176.300 -0.032 0.000 1.100 190 D CA 1.323 55.318 54.000 -0.008 0.000 0.995 190 D CB -1.106 39.696 40.800 0.002 0.000 1.108 190 D HN 0.786 nan 8.370 nan 0.000 0.421 191 N N 1.788 120.447 118.700 -0.067 0.000 3.245 191 N HA 0.071 4.814 4.740 0.004 0.000 0.296 191 N C -1.317 174.107 175.510 -0.144 0.000 1.254 191 N CA 0.047 53.035 53.050 -0.103 0.000 1.190 191 N CB 0.118 38.526 38.487 -0.131 0.000 1.460 191 N HN -0.030 nan 8.380 nan 0.000 0.538 192 D N 1.876 122.208 120.400 -0.113 0.000 2.280 192 D HA 0.237 4.879 4.640 0.004 0.000 0.243 192 D C 0.568 176.752 176.300 -0.193 0.000 1.129 192 D CA -0.135 53.755 54.000 -0.184 0.000 0.848 192 D CB 1.055 41.830 40.800 -0.042 0.000 1.107 192 D HN 0.486 nan 8.370 nan 0.000 0.471 193 I N -1.639 118.721 120.570 -0.351 0.000 2.797 193 I HA 0.899 5.072 4.170 0.004 0.000 0.307 193 I C -0.826 175.230 176.117 -0.103 0.000 1.033 193 I CA -1.163 59.974 61.300 -0.272 0.000 1.071 193 I CB 2.279 39.967 38.000 -0.520 0.000 1.255 193 I HN 0.296 nan 8.210 nan 0.000 0.445 194 A N 3.542 126.466 122.820 0.174 0.000 2.587 194 A HA 0.862 5.184 4.320 0.004 0.000 0.293 194 A C -1.732 176.130 177.584 0.463 0.000 1.087 194 A CA -0.438 51.864 52.037 0.442 0.000 0.692 194 A CB 1.860 21.182 19.000 0.537 0.000 1.291 194 A HN 0.826 nan 8.150 nan 0.000 0.407 195 F N 1.050 121.164 119.950 0.273 0.000 2.591 195 F HA 0.729 5.258 4.527 0.004 0.000 0.309 195 F C -1.762 174.087 175.800 0.081 0.000 1.098 195 F CA -0.947 57.048 58.000 -0.007 0.000 0.937 195 F CB 1.985 40.842 39.000 -0.238 0.000 1.250 195 F HN 0.468 nan 8.300 nan 0.000 0.447 196 V N 4.464 124.018 119.914 -0.600 0.000 2.668 196 V HA 0.857 4.980 4.120 0.004 0.000 0.304 196 V C -0.294 175.341 176.094 -0.765 0.000 1.071 196 V CA -0.298 61.607 62.300 -0.658 0.000 0.894 196 V CB 1.479 33.238 31.823 -0.107 0.000 1.008 196 V HN 1.186 nan 8.190 nan 0.000 0.425 197 G N 2.601 110.903 108.800 -0.830 0.000 2.659 197 G HA2 0.924 4.887 3.960 0.004 0.000 0.296 197 G HA3 0.924 4.887 3.960 0.004 0.000 0.296 197 G C -1.258 173.602 174.900 -0.067 0.000 1.369 197 G CA -0.172 44.780 45.100 -0.245 0.000 0.937 197 G HN 1.207 nan 8.290 nan 0.000 0.485 198 A N -0.592 122.264 122.820 0.060 0.000 2.549 198 A HA 1.024 5.347 4.320 0.004 0.000 0.297 198 A C -0.474 177.185 177.584 0.125 0.000 1.061 198 A CA -0.049 52.039 52.037 0.084 0.000 0.690 198 A CB 1.746 20.777 19.000 0.051 0.000 1.287 198 A HN 2.327 nan 8.150 nan 0.000 0.402 199 A N 0.273 123.179 122.820 0.143 0.000 2.539 199 A HA 0.756 5.079 4.320 0.004 0.000 0.296 199 A C -1.916 175.794 177.584 0.211 0.000 1.073 199 A CA -0.416 51.708 52.037 0.145 0.000 0.700 199 A CB 1.343 20.442 19.000 0.166 0.000 1.296 199 A HN 1.779 nan 8.150 nan 0.000 0.405 200 Y N 1.165 121.501 120.300 0.060 0.000 2.329 200 Y HA 0.577 5.128 4.550 0.003 0.000 0.328 200 Y C -0.145 175.834 175.900 0.132 0.000 0.992 200 Y CA -1.190 56.964 58.100 0.090 0.000 1.151 200 Y CB 1.757 40.276 38.460 0.098 0.000 1.150 200 Y HN 0.552 nan 8.280 nan 0.000 0.450 201 K N 7.062 127.231 120.400 -0.385 0.000 2.155 201 K HA 0.136 4.459 4.320 0.004 0.000 0.240 201 K C -0.054 176.115 176.600 -0.720 0.000 1.193 201 K CA -0.365 55.666 56.287 -0.428 0.000 1.104 201 K CB -1.353 30.964 32.500 -0.305 0.000 1.558 201 K HN 0.584 nan 8.250 nan 0.000 0.313 202 F N 0.702 120.220 119.950 -0.720 0.000 2.738 202 F HA 0.238 4.766 4.527 0.003 0.000 0.301 202 F C 0.119 175.793 175.800 -0.209 0.000 1.269 202 F CA -0.418 57.252 58.000 -0.551 0.000 1.441 202 F CB -0.331 38.628 39.000 -0.067 0.000 1.101 202 F HN 0.288 nan 8.300 nan 0.000 0.545 203 N N -0.029 118.352 118.700 -0.531 0.000 3.514 203 N HA -0.012 4.730 4.740 0.004 0.000 0.268 203 N C -0.694 174.587 175.510 -0.382 0.000 1.391 203 N CA 0.082 52.897 53.050 -0.391 0.000 0.821 203 N CB 0.402 38.597 38.487 -0.486 0.000 1.563 203 N HN 0.004 nan 8.380 nan 0.000 0.426 204 D N -0.006 120.210 120.400 -0.307 0.000 2.305 204 D HA 0.285 4.928 4.640 0.004 0.000 0.206 204 D C 1.201 177.282 176.300 -0.366 0.000 0.974 204 D CA 0.894 54.729 54.000 -0.275 0.000 0.871 204 D CB 0.347 41.029 40.800 -0.197 0.000 0.947 204 D HN 0.479 nan 8.370 nan 0.000 0.516 205 A N 0.274 122.788 122.820 -0.509 0.000 2.140 205 A HA 0.505 4.827 4.320 0.004 0.000 0.209 205 A C 1.243 178.292 177.584 -0.891 0.000 1.181 205 A CA 0.493 52.070 52.037 -0.767 0.000 0.824 205 A CB 0.269 18.611 19.000 -1.098 0.000 0.879 205 A HN 0.215 nan 8.150 nan 0.000 0.480 206 G N -1.438 106.854 108.800 -0.847 0.000 2.519 206 G HA2 0.509 4.472 3.960 0.004 0.000 0.307 206 G HA3 0.509 4.472 3.960 0.004 0.000 0.307 206 G C -0.890 173.541 174.900 -0.782 0.000 1.266 206 G CA 0.195 44.844 45.100 -0.752 0.000 0.970 206 G HN 0.429 nan 8.290 nan 0.000 0.481 207 T N -1.231 113.234 114.554 -0.149 0.000 2.952 207 T HA 0.621 4.973 4.350 0.004 0.000 0.305 207 T C -0.731 174.134 174.700 0.274 0.000 1.064 207 T CA -0.318 61.826 62.100 0.073 0.000 1.008 207 T CB 1.368 70.237 68.868 0.002 0.000 1.078 207 T HN 1.444 nan 8.240 nan 0.000 0.459 208 V N 1.383 121.448 119.914 0.251 0.000 2.769 208 V HA 1.076 5.199 4.120 0.004 0.000 0.312 208 V C 0.255 176.231 176.094 -0.196 0.000 1.061 208 V CA -0.366 61.940 62.300 0.010 0.000 0.931 208 V CB 1.333 33.179 31.823 0.037 0.000 1.010 208 V HN 1.314 nan 8.190 nan 0.000 0.433 209 G N 1.892 110.299 108.800 -0.655 0.000 2.695 209 G HA2 0.731 4.694 3.960 0.004 0.000 0.290 209 G HA3 0.731 4.694 3.960 0.004 0.000 0.290 209 G C -2.133 172.564 174.900 -0.338 0.000 1.410 209 G CA -0.879 43.878 45.100 -0.572 0.000 0.844 209 G HN 1.172 nan 8.290 nan 0.000 0.478 210 L N 0.637 121.872 121.223 0.019 0.000 2.476 210 L HA 0.628 4.971 4.340 0.004 0.000 0.269 210 L C -1.536 175.472 176.870 0.230 0.000 0.965 210 L CA -0.821 54.103 54.840 0.142 0.000 0.845 210 L CB 2.066 44.175 42.059 0.082 0.000 1.259 210 L HN 0.429 nan 8.230 nan 0.000 0.403 211 N N 3.815 122.694 118.700 0.298 0.000 2.321 211 N HA 0.474 5.217 4.740 0.004 0.000 0.299 211 N C -1.921 173.662 175.510 0.121 0.000 1.048 211 N CA -0.221 52.968 53.050 0.232 0.000 0.836 211 N CB 2.100 40.755 38.487 0.281 0.000 1.269 211 N HN 0.692 nan 8.380 nan 0.000 0.486 212 W N 3.604 124.778 121.300 -0.211 0.000 2.702 212 W HA 0.551 5.214 4.660 0.004 0.000 0.331 212 W C -1.709 174.636 176.519 -0.290 0.000 1.049 212 W CA -0.539 56.719 57.345 -0.145 0.000 1.230 212 W CB 0.704 30.122 29.460 -0.070 0.000 1.408 212 W HN 0.396 nan 8.180 nan 0.000 0.492 213 Y N 4.178 123.929 120.300 -0.914 0.000 2.499 213 Y HA 0.288 4.841 4.550 0.004 0.000 0.347 213 Y C -0.378 174.785 175.900 -1.229 0.000 0.987 213 Y CA -1.070 56.502 58.100 -0.881 0.000 1.044 213 Y CB 1.901 40.191 38.460 -0.283 0.000 1.245 213 Y HN 0.311 nan 8.280 nan 0.000 0.461 214 D N 1.532 121.518 120.400 -0.691 0.000 2.441 214 D HA 0.157 4.800 4.640 0.004 0.000 0.231 214 D C -0.351 175.874 176.300 -0.125 0.000 1.073 214 D CA -0.271 53.531 54.000 -0.330 0.000 0.850 214 D CB 0.565 41.318 40.800 -0.078 0.000 1.062 214 D HN 0.543 nan 8.370 nan 0.000 0.524 215 N N 2.851 121.488 118.700 -0.105 0.000 2.421 215 N HA 0.112 4.854 4.740 0.004 0.000 0.201 215 N C 1.339 176.792 175.510 -0.096 0.000 1.198 215 N CA 0.558 53.551 53.050 -0.096 0.000 0.838 215 N CB 0.311 38.737 38.487 -0.101 0.000 1.011 215 N HN 0.765 nan 8.380 nan 0.000 0.463 216 G N 1.464 110.218 108.800 -0.077 0.000 2.622 216 G HA2 -0.338 3.625 3.960 0.004 0.000 0.307 216 G HA3 -0.338 3.625 3.960 0.004 0.000 0.307 216 G C 0.649 175.517 174.900 -0.053 0.000 1.226 216 G CA 0.254 45.312 45.100 -0.069 0.000 0.997 216 G HN 0.345 nan 8.290 nan 0.000 0.551 217 L N 1.638 122.823 121.223 -0.065 0.000 2.627 217 L HA 0.292 4.634 4.340 0.004 0.000 0.233 217 L C 1.851 178.686 176.870 -0.058 0.000 1.144 217 L CA 0.589 55.397 54.840 -0.052 0.000 0.892 217 L CB -0.248 41.779 42.059 -0.053 0.000 1.039 217 L HN 0.497 nan 8.230 nan 0.000 0.442 218 S N -0.062 115.596 115.700 -0.070 0.000 2.579 218 S HA -0.016 4.457 4.470 0.004 0.000 0.275 218 S C 1.615 176.175 174.600 -0.066 0.000 1.345 218 S CA 0.099 58.255 58.200 -0.073 0.000 1.031 218 S CB 1.019 64.167 63.200 -0.085 0.000 0.892 218 S HN 0.443 nan 8.310 nan 0.000 0.529 219 T N 1.991 116.505 114.554 -0.066 0.000 3.072 219 T HA 0.074 4.427 4.350 0.004 0.000 0.266 219 T C 1.808 176.457 174.700 -0.085 0.000 1.127 219 T CA 0.762 62.825 62.100 -0.062 0.000 1.107 219 T CB -0.484 68.352 68.868 -0.053 0.000 0.910 219 T HN 0.695 nan 8.240 nan 0.000 0.513 220 A N 1.676 124.427 122.820 -0.116 0.000 1.933 220 A HA 0.463 4.786 4.320 0.004 0.000 0.218 220 A C 1.835 179.337 177.584 -0.136 0.000 1.175 220 A CA 1.150 53.081 52.037 -0.176 0.000 0.628 220 A CB -1.393 17.468 19.000 -0.231 0.000 0.814 220 A HN 1.414 nan 8.150 nan 0.000 0.444 221 G N -0.744 108.002 108.800 -0.090 0.000 2.642 221 G HA2 -0.148 3.815 3.960 0.004 0.000 0.231 221 G HA3 -0.148 3.815 3.960 0.004 0.000 0.231 221 G C -0.838 174.026 174.900 -0.059 0.000 1.338 221 G CA -0.069 45.000 45.100 -0.052 0.000 0.883 221 G HN 0.455 nan 8.290 nan 0.000 0.570 222 D N 0.816 121.208 120.400 -0.013 0.000 2.400 222 D HA 0.490 5.132 4.640 0.004 0.000 0.238 222 D C 0.765 177.048 176.300 -0.027 0.000 1.157 222 D CA 0.837 54.822 54.000 -0.025 0.000 0.889 222 D CB 0.930 41.816 40.800 0.144 0.000 1.199 222 D HN 0.714 nan 8.370 nan 0.000 0.436 223 Q N 0.160 119.920 119.800 -0.068 0.000 2.379 223 Q HA 0.625 4.968 4.340 0.004 0.000 0.278 223 Q C -2.092 173.997 176.000 0.150 0.000 1.068 223 Q CA -0.869 54.969 55.803 0.060 0.000 0.816 223 Q CB 2.446 31.234 28.738 0.083 0.000 1.387 223 Q HN 0.295 nan 8.270 nan 0.000 0.413 224 V N 2.392 122.454 119.914 0.246 0.000 2.623 224 V HA 0.644 4.767 4.120 0.004 0.000 0.304 224 V C -1.524 174.762 176.094 0.320 0.000 1.054 224 V CA -0.022 62.454 62.300 0.294 0.000 0.882 224 V CB 2.269 34.266 31.823 0.289 0.000 1.002 224 V HN 0.892 nan 8.190 nan 0.000 0.424 225 T N 7.883 122.643 114.554 0.342 0.000 2.812 225 T HA 0.560 4.913 4.350 0.004 0.000 0.282 225 T C -0.930 173.997 174.700 0.377 0.000 0.990 225 T CA -0.214 62.113 62.100 0.379 0.000 0.960 225 T CB 1.229 70.326 68.868 0.382 0.000 0.948 225 T HN 0.655 nan 8.240 nan 0.000 0.438 226 L N 5.872 127.307 121.223 0.353 0.000 2.305 226 L HA 0.746 5.088 4.340 0.004 0.000 0.284 226 L C -1.169 175.908 176.870 0.345 0.000 1.013 226 L CA -0.590 54.406 54.840 0.260 0.000 0.819 226 L CB 0.272 42.437 42.059 0.175 0.000 1.227 226 L HN 0.704 nan 8.230 nan 0.000 0.417 227 Y N 2.760 123.189 120.300 0.214 0.000 2.638 227 Y HA 1.018 5.571 4.550 0.005 0.000 0.339 227 Y C -0.314 175.706 175.900 0.199 0.000 1.084 227 Y CA -0.854 57.388 58.100 0.235 0.000 1.068 227 Y CB 1.533 40.132 38.460 0.233 0.000 1.294 227 Y HN 0.790 nan 8.280 nan 0.000 0.480 228 G N 1.095 110.053 108.800 0.262 0.000 2.601 228 G HA2 0.492 4.455 3.960 0.004 0.000 0.291 228 G HA3 0.492 4.455 3.960 0.004 0.000 0.291 228 G C -2.447 172.629 174.900 0.294 0.000 1.456 228 G CA -1.217 44.003 45.100 0.199 0.000 0.804 228 G HN 1.223 nan 8.290 nan 0.000 0.499 229 N N -1.158 117.704 118.700 0.271 0.000 2.591 229 N HA 0.562 5.304 4.740 0.004 0.000 0.263 229 N C -2.240 173.389 175.510 0.197 0.000 1.308 229 N CA -0.753 52.432 53.050 0.224 0.000 0.837 229 N CB 2.924 41.517 38.487 0.176 0.000 1.548 229 N HN 0.550 nan 8.380 nan 0.000 0.493 230 Y N 0.188 120.458 120.300 -0.051 0.000 2.441 230 Y HA 0.586 5.138 4.550 0.003 0.000 0.334 230 Y C -1.473 174.163 175.900 -0.440 0.000 1.061 230 Y CA -0.524 57.414 58.100 -0.270 0.000 1.032 230 Y CB 2.003 40.289 38.460 -0.291 0.000 1.266 230 Y HN 0.894 nan 8.280 nan 0.000 0.441 231 A N 5.540 127.874 122.820 -0.811 0.000 2.260 231 A HA 0.630 4.952 4.320 0.004 0.000 0.314 231 A C -1.707 175.486 177.584 -0.652 0.000 1.257 231 A CA -0.366 51.342 52.037 -0.549 0.000 0.871 231 A CB -0.303 18.478 19.000 -0.365 0.000 1.166 231 A HN 0.614 nan 8.150 nan 0.000 0.522 232 F N 3.204 123.155 119.950 0.001 0.000 2.334 232 F HA 0.502 5.031 4.527 0.004 0.000 0.343 232 F C 1.371 177.192 175.800 0.035 0.000 1.136 232 F CA 0.544 58.580 58.000 0.060 0.000 1.237 232 F CB 0.523 39.607 39.000 0.140 0.000 1.525 232 F HN 1.059 nan 8.300 nan 0.000 0.528 233 G N 1.838 110.691 108.800 0.088 0.000 2.720 233 G HA2 -0.333 3.630 3.960 0.004 0.000 0.293 233 G HA3 -0.333 3.630 3.960 0.004 0.000 0.293 233 G C 1.139 176.058 174.900 0.031 0.000 1.256 233 G CA 0.292 45.428 45.100 0.060 0.000 0.974 233 G HN 0.782 nan 8.290 nan 0.000 0.551 234 A N -0.117 122.746 122.820 0.071 0.000 2.220 234 A HA 0.599 4.922 4.320 0.004 0.000 0.211 234 A C 1.405 179.023 177.584 0.057 0.000 1.176 234 A CA 2.242 54.262 52.037 -0.029 0.000 0.834 234 A CB -0.135 18.770 19.000 -0.159 0.000 0.868 234 A HN 2.065 nan 8.150 nan 0.000 0.488 235 T N -0.379 114.325 114.554 0.249 0.000 2.794 235 T HA 0.547 4.900 4.350 0.004 0.000 0.280 235 T C -0.543 174.326 174.700 0.283 0.000 0.987 235 T CA -0.241 62.058 62.100 0.332 0.000 0.993 235 T CB 1.128 70.240 68.868 0.407 0.000 0.939 235 T HN 0.001 nan 8.240 nan 0.000 0.449 236 T N 3.966 118.649 114.554 0.214 0.000 2.829 236 T HA 0.589 4.942 4.350 0.004 0.000 0.280 236 T C -0.482 174.355 174.700 0.229 0.000 0.999 236 T CA -0.562 61.633 62.100 0.157 0.000 0.983 236 T CB 1.446 70.352 68.868 0.064 0.000 0.968 236 T HN 0.624 nan 8.240 nan 0.000 0.446 237 V N 4.217 124.297 119.914 0.278 0.000 2.483 237 V HA 0.607 4.729 4.120 0.004 0.000 0.295 237 V C 0.053 176.287 176.094 0.233 0.000 1.035 237 V CA -0.840 61.637 62.300 0.295 0.000 0.896 237 V CB 1.628 33.713 31.823 0.436 0.000 0.986 237 V HN 0.742 nan 8.190 nan 0.000 0.447 238 R N 2.367 122.993 120.500 0.210 0.000 2.795 238 R HA 0.930 5.272 4.340 0.004 0.000 0.275 238 R C -0.952 175.480 176.300 0.220 0.000 0.981 238 R CA -0.666 55.565 56.100 0.220 0.000 0.917 238 R CB 2.444 32.867 30.300 0.205 0.000 1.202 238 R HN 0.845 nan 8.270 nan 0.000 0.469 239 A N 1.300 124.275 122.820 0.259 0.000 2.612 239 A HA 0.715 5.038 4.320 0.004 0.000 0.293 239 A C -1.996 175.792 177.584 0.339 0.000 1.075 239 A CA -0.768 51.399 52.037 0.217 0.000 0.680 239 A CB 1.520 20.606 19.000 0.143 0.000 1.279 239 A HN 0.783 nan 8.150 nan 0.000 0.411 240 Y N -1.717 118.713 120.300 0.217 0.000 2.641 240 Y HA 0.711 5.264 4.550 0.004 0.000 0.333 240 Y C -1.190 174.850 175.900 0.234 0.000 1.174 240 Y CA -1.114 57.133 58.100 0.245 0.000 1.057 240 Y CB 0.889 39.504 38.460 0.259 0.000 1.322 240 Y HN 1.498 nan 8.280 nan 0.000 0.457 241 V N -0.487 119.667 119.914 0.401 0.000 2.841 241 V HA 0.916 5.038 4.120 0.004 0.000 0.310 241 V C -0.798 175.570 176.094 0.457 0.000 1.090 241 V CA -0.478 62.013 62.300 0.319 0.000 0.930 241 V CB 1.286 33.229 31.823 0.201 0.000 1.014 241 V HN 1.095 nan 8.190 nan 0.000 0.425 242 S N 1.460 117.427 115.700 0.444 0.000 2.540 242 S HA 0.668 5.140 4.470 0.004 0.000 0.275 242 S C -1.743 173.162 174.600 0.507 0.000 1.123 242 S CA -0.537 57.950 58.200 0.478 0.000 0.907 242 S CB 1.858 65.389 63.200 0.551 0.000 1.081 242 S HN 0.972 nan 8.310 nan 0.000 0.476 243 D N 2.827 123.484 120.400 0.428 0.000 2.780 243 D HA 0.529 5.172 4.640 0.004 0.000 0.242 243 D C -0.440 175.963 176.300 0.171 0.000 1.135 243 D CA -0.272 53.926 54.000 0.330 0.000 0.859 243 D CB 1.862 42.795 40.800 0.222 0.000 1.530 243 D HN 0.678 nan 8.370 nan 0.000 0.493 244 I N -1.945 118.619 120.570 -0.010 0.000 2.910 244 I HA 0.448 4.621 4.170 0.004 0.000 0.310 244 I C 0.386 176.458 176.117 -0.075 0.000 1.043 244 I CA -0.769 60.427 61.300 -0.173 0.000 1.053 244 I CB 1.850 39.518 38.000 -0.554 0.000 1.242 244 I HN -0.041 nan 8.210 nan 0.000 0.452 245 D N 0.983 121.346 120.400 -0.061 0.000 2.183 245 D HA -0.055 4.587 4.640 0.004 0.000 0.203 245 D C 0.933 177.213 176.300 -0.034 0.000 0.969 245 D CA 0.839 54.829 54.000 -0.018 0.000 0.842 245 D CB -0.005 40.795 40.800 0.001 0.000 0.957 245 D HN 0.457 nan 8.370 nan 0.000 0.484 246 R N 1.020 121.474 120.500 -0.076 0.000 2.526 246 R HA 0.032 4.375 4.340 0.004 0.000 0.319 246 R C -0.255 176.027 176.300 -0.030 0.000 0.888 246 R CA -0.157 55.905 56.100 -0.062 0.000 1.127 246 R CB 0.135 30.378 30.300 -0.096 0.000 0.888 246 R HN -0.057 nan 8.270 nan 0.000 0.410 247 A N 3.768 126.580 122.820 -0.014 0.000 2.567 247 A HA 0.289 4.611 4.320 0.004 0.000 0.240 247 A C 1.479 179.065 177.584 0.003 0.000 1.053 247 A CA 0.717 52.754 52.037 -0.000 0.000 0.755 247 A CB -0.191 18.810 19.000 0.001 0.000 0.978 247 A HN 1.153 nan 8.150 nan 0.000 0.507 248 G N 1.036 109.844 108.800 0.013 0.000 2.234 248 G HA2 0.104 4.066 3.960 0.004 0.000 0.260 248 G HA3 0.104 4.066 3.960 0.004 0.000 0.260 248 G C 0.717 175.634 174.900 0.028 0.000 0.987 248 G CA 0.620 45.731 45.100 0.019 0.000 0.625 248 G HN 2.288 nan 8.290 nan 0.000 0.532 249 A N 0.357 123.194 122.820 0.029 0.000 2.483 249 A HA 0.499 4.822 4.320 0.004 0.000 0.238 249 A C 0.442 178.087 177.584 0.102 0.000 1.070 249 A CA 0.628 52.702 52.037 0.060 0.000 0.770 249 A CB 0.284 19.300 19.000 0.027 0.000 1.008 249 A HN 0.349 nan 8.150 nan 0.000 0.497 250 D N 0.461 120.939 120.400 0.130 0.000 2.387 250 D HA 0.349 4.992 4.640 0.004 0.000 0.251 250 D C -0.089 176.333 176.300 0.203 0.000 1.141 250 D CA 0.229 54.301 54.000 0.120 0.000 0.987 250 D CB 0.748 41.579 40.800 0.052 0.000 1.116 250 D HN 0.459 nan 8.370 nan 0.000 0.491 251 T N 0.655 115.316 114.554 0.178 0.000 2.794 251 T HA 0.463 4.816 4.350 0.004 0.000 0.296 251 T C 0.178 174.956 174.700 0.130 0.000 0.949 251 T CA -0.532 61.702 62.100 0.223 0.000 1.101 251 T CB 0.905 69.897 68.868 0.207 0.000 0.905 251 T HN 0.379 nan 8.240 nan 0.000 0.516 252 A N 3.635 126.444 122.820 -0.019 0.000 2.316 252 A HA 0.766 5.089 4.320 0.004 0.000 0.284 252 A C -0.712 176.860 177.584 -0.020 0.000 1.115 252 A CA -0.619 51.213 52.037 -0.342 0.000 0.812 252 A CB 0.162 18.650 19.000 -0.853 0.000 1.064 252 A HN 0.924 nan 8.150 nan 0.000 0.489 253 Y N -1.734 118.441 120.300 -0.207 0.000 2.624 253 Y HA 0.733 5.286 4.550 0.004 0.000 0.334 253 Y C -0.230 175.293 175.900 -0.627 0.000 1.155 253 Y CA -0.734 57.073 58.100 -0.488 0.000 1.046 253 Y CB 0.707 39.017 38.460 -0.250 0.000 1.316 253 Y HN 1.157 nan 8.280 nan 0.000 0.457 254 G N 0.886 109.224 108.800 -0.769 0.000 2.698 254 G HA2 0.622 4.585 3.960 0.004 0.000 0.293 254 G HA3 0.622 4.585 3.960 0.004 0.000 0.293 254 G C -2.639 172.193 174.900 -0.112 0.000 1.437 254 G CA -0.891 43.994 45.100 -0.358 0.000 0.852 254 G HN 0.911 nan 8.290 nan 0.000 0.499 255 I N 0.300 120.896 120.570 0.043 0.000 2.619 255 I HA 0.892 5.064 4.170 0.004 0.000 0.292 255 I C 0.030 176.213 176.117 0.109 0.000 1.100 255 I CA -0.223 61.130 61.300 0.089 0.000 1.043 255 I CB 2.012 40.063 38.000 0.084 0.000 1.239 255 I HN 1.113 nan 8.210 nan 0.000 0.420 256 G N 4.627 113.505 108.800 0.130 0.000 2.645 256 G HA2 0.922 4.884 3.960 0.004 0.000 0.292 256 G HA3 0.922 4.884 3.960 0.004 0.000 0.292 256 G C -2.201 172.781 174.900 0.138 0.000 1.415 256 G CA -0.263 44.912 45.100 0.125 0.000 0.785 256 G HN 1.039 nan 8.290 nan 0.000 0.483 257 A N -0.069 122.829 122.820 0.130 0.000 2.549 257 A HA 0.786 5.108 4.320 0.004 0.000 0.297 257 A C -1.863 175.807 177.584 0.143 0.000 1.061 257 A CA -0.646 51.480 52.037 0.150 0.000 0.690 257 A CB 2.055 21.144 19.000 0.148 0.000 1.287 257 A HN 0.469 nan 8.150 nan 0.000 0.402 258 D N -0.023 120.471 120.400 0.157 0.000 2.342 258 D HA 0.542 5.185 4.640 0.004 0.000 0.243 258 D C -1.719 174.714 176.300 0.221 0.000 1.019 258 D CA 0.302 54.389 54.000 0.146 0.000 0.864 258 D CB 1.954 42.806 40.800 0.087 0.000 1.315 258 D HN 0.426 nan 8.370 nan 0.000 0.468 259 Y N 1.194 121.535 120.300 0.067 0.000 2.322 259 Y HA 0.219 4.771 4.550 0.004 0.000 0.324 259 Y C -0.711 175.246 175.900 0.095 0.000 1.027 259 Y CA -0.853 57.297 58.100 0.083 0.000 1.179 259 Y CB 1.473 39.986 38.460 0.089 0.000 1.136 259 Y HN 0.098 nan 8.280 nan 0.000 0.449 260 Q N 5.767 125.283 119.800 -0.473 0.000 2.431 260 Q HA 0.151 4.494 4.340 0.004 0.000 0.234 260 Q C 0.299 175.984 176.000 -0.524 0.000 1.203 260 Q CA 0.221 55.814 55.803 -0.350 0.000 0.902 260 Q CB -0.215 28.378 28.738 -0.241 0.000 1.455 260 Q HN 0.809 nan 8.270 nan 0.000 0.515 261 F N 2.594 122.306 119.950 -0.397 0.000 2.134 261 F HA 0.126 4.655 4.527 0.004 0.000 0.299 261 F C 0.333 176.064 175.800 -0.116 0.000 1.097 261 F CA 1.149 59.034 58.000 -0.193 0.000 1.264 261 F CB 0.285 39.306 39.000 0.035 0.000 1.001 261 F HN 0.531 nan 8.300 nan 0.000 0.479 262 A N -0.723 122.028 122.820 -0.115 0.000 2.540 262 A HA 0.286 4.609 4.320 0.004 0.000 0.291 262 A C -0.890 176.669 177.584 -0.042 0.000 1.083 262 A CA -0.760 51.182 52.037 -0.159 0.000 0.650 262 A CB 0.104 19.015 19.000 -0.147 0.000 1.292 262 A HN 0.068 nan 8.150 nan 0.000 0.435 263 E N -0.021 120.156 120.200 -0.039 0.000 2.417 263 E HA 0.351 4.704 4.350 0.004 0.000 0.261 263 E C 1.213 177.834 176.600 0.035 0.000 1.000 263 E CA 1.478 57.870 56.400 -0.013 0.000 0.919 263 E CB 0.212 29.904 29.700 -0.014 0.000 0.955 263 E HN 1.996 nan 8.360 nan 0.000 0.455 264 G N 2.812 111.631 108.800 0.031 0.000 2.179 264 G HA2 -0.255 3.707 3.960 0.004 0.000 0.260 264 G HA3 -0.255 3.707 3.960 0.004 0.000 0.260 264 G C -0.044 174.924 174.900 0.114 0.000 0.977 264 G CA 0.238 45.375 45.100 0.062 0.000 0.641 264 G HN 0.482 nan 8.290 nan 0.000 0.533 265 V N 0.840 120.830 119.914 0.126 0.000 2.409 265 V HA 0.619 4.741 4.120 0.004 0.000 0.290 265 V C 0.065 176.237 176.094 0.130 0.000 1.017 265 V CA -0.667 61.744 62.300 0.185 0.000 0.841 265 V CB 1.734 33.745 31.823 0.313 0.000 1.003 265 V HN 0.373 nan 8.190 nan 0.000 0.426 266 K N 4.098 124.542 120.400 0.073 0.000 2.376 266 K HA 0.738 5.061 4.320 0.004 0.000 0.257 266 K C -1.372 175.255 176.600 0.044 0.000 0.939 266 K CA -0.503 55.810 56.287 0.043 0.000 0.809 266 K CB 2.119 34.616 32.500 -0.005 0.000 1.121 266 K HN 0.457 nan 8.250 nan 0.000 0.425 267 V N 3.091 123.060 119.914 0.092 0.000 2.439 267 V HA 0.424 4.546 4.120 0.004 0.000 0.282 267 V C -0.501 175.651 176.094 0.095 0.000 1.039 267 V CA -0.426 61.913 62.300 0.065 0.000 0.913 267 V CB 1.444 33.334 31.823 0.111 0.000 0.983 267 V HN 0.847 nan 8.190 nan 0.000 0.460 268 S N 2.106 117.846 115.700 0.067 0.000 2.588 268 S HA 0.937 5.409 4.470 0.004 0.000 0.275 268 S C -0.045 174.623 174.600 0.114 0.000 1.130 268 S CA -0.467 57.795 58.200 0.103 0.000 0.855 268 S CB 2.229 65.494 63.200 0.109 0.000 1.116 268 S HN 1.167 nan 8.310 nan 0.000 0.472 269 G N 0.471 109.340 108.800 0.115 0.000 2.677 269 G HA2 0.749 4.712 3.960 0.004 0.000 0.291 269 G HA3 0.749 4.712 3.960 0.004 0.000 0.291 269 G C -1.260 173.705 174.900 0.108 0.000 1.435 269 G CA -0.382 44.788 45.100 0.116 0.000 0.826 269 G HN 1.257 nan 8.290 nan 0.000 0.491 270 S N -1.748 114.016 115.700 0.106 0.000 2.578 270 S HA 0.723 5.196 4.470 0.004 0.000 0.272 270 S C -1.732 172.925 174.600 0.095 0.000 1.145 270 S CA -0.704 57.555 58.200 0.099 0.000 0.835 270 S CB 1.754 65.014 63.200 0.100 0.000 1.104 270 S HN 1.317 nan 8.310 nan 0.000 0.458 271 V N 1.857 121.826 119.914 0.091 0.000 2.577 271 V HA 0.627 4.749 4.120 0.004 0.000 0.303 271 V C -0.708 175.431 176.094 0.075 0.000 1.042 271 V CA -0.400 61.955 62.300 0.091 0.000 0.872 271 V CB 1.426 33.300 31.823 0.085 0.000 0.998 271 V HN 0.958 nan 8.190 nan 0.000 0.423 272 Q N 1.718 121.560 119.800 0.071 0.000 2.451 272 Q HA 0.754 5.096 4.340 0.004 0.000 0.281 272 Q C -1.012 174.966 176.000 -0.037 0.000 1.099 272 Q CA -0.728 55.096 55.803 0.035 0.000 0.806 272 Q CB 2.747 31.589 28.738 0.173 0.000 1.419 272 Q HN 0.644 nan 8.270 nan 0.000 0.427 273 S N -0.323 115.178 115.700 -0.331 0.000 2.594 273 S HA 0.715 5.188 4.470 0.004 0.000 0.296 273 S C -0.559 173.567 174.600 -0.790 0.000 1.124 273 S CA -0.418 57.443 58.200 -0.566 0.000 1.011 273 S CB 1.087 63.654 63.200 -1.055 0.000 1.016 273 S HN 0.729 nan 8.310 nan 0.000 0.485 274 G N 2.156 110.315 108.800 -1.069 0.000 2.543 274 G HA2 0.479 4.441 3.960 0.004 0.000 0.290 274 G HA3 0.479 4.441 3.960 0.004 0.000 0.290 274 G C 0.202 174.544 174.900 -0.930 0.000 1.310 274 G CA -0.577 43.420 45.100 -1.837 0.000 1.025 274 G HN 0.669 nan 8.290 nan 0.000 0.502 275 F N 0.159 119.775 119.950 -0.557 0.000 2.365 275 F HA 0.116 4.646 4.527 0.004 0.000 0.300 275 F C 2.473 178.167 175.800 -0.177 0.000 1.090 275 F CA 1.078 58.933 58.000 -0.241 0.000 1.408 275 F CB 0.036 38.950 39.000 -0.143 0.000 1.060 275 F HN 0.352 nan 8.300 nan 0.000 0.534 276 A N -0.604 122.179 122.820 -0.061 0.000 2.630 276 A HA 0.317 4.640 4.320 0.004 0.000 0.290 276 A C 0.785 178.317 177.584 -0.087 0.000 1.267 276 A CA -0.058 51.955 52.037 -0.041 0.000 0.950 276 A CB -0.737 18.251 19.000 -0.020 0.000 1.144 276 A HN 0.270 nan 8.150 nan 0.000 0.527 277 N N 0.022 118.635 118.700 -0.144 0.000 2.741 277 N HA -0.150 4.592 4.740 0.004 0.000 0.251 277 N C -0.754 174.673 175.510 -0.139 0.000 1.112 277 N CA 1.259 54.227 53.050 -0.136 0.000 0.750 277 N CB -1.383 37.070 38.487 -0.057 0.000 1.119 277 N HN 0.720 nan 8.380 nan 0.000 0.561 278 E N -0.339 119.747 120.200 -0.190 0.000 2.360 278 E HA 0.227 4.580 4.350 0.004 0.000 0.269 278 E C -0.029 176.525 176.600 -0.077 0.000 1.022 278 E CA 0.365 56.703 56.400 -0.104 0.000 0.887 278 E CB 0.573 30.247 29.700 -0.043 0.000 0.990 278 E HN 0.113 nan 8.360 nan 0.000 0.426 279 T N 2.468 117.010 114.554 -0.019 0.000 2.756 279 T HA 0.474 4.826 4.350 0.004 0.000 0.290 279 T C -0.568 174.174 174.700 0.071 0.000 0.985 279 T CA -0.827 61.296 62.100 0.038 0.000 0.955 279 T CB 0.504 69.423 68.868 0.084 0.000 0.930 279 T HN 0.348 nan 8.240 nan 0.000 0.451 280 V N 0.504 120.496 119.914 0.131 0.000 2.823 280 V HA 1.064 5.186 4.120 0.004 0.000 0.312 280 V C -0.590 175.623 176.094 0.199 0.000 1.072 280 V CA -1.210 61.168 62.300 0.130 0.000 0.937 280 V CB 1.484 33.350 31.823 0.072 0.000 1.013 280 V HN 1.058 nan 8.190 nan 0.000 0.430 281 A N 3.302 126.284 122.820 0.271 0.000 2.572 281 A HA 0.968 5.291 4.320 0.004 0.000 0.295 281 A C -1.232 176.471 177.584 0.198 0.000 1.072 281 A CA -0.023 52.144 52.037 0.215 0.000 0.691 281 A CB 1.993 21.111 19.000 0.197 0.000 1.291 281 A HN 1.612 nan 8.150 nan 0.000 0.404 282 D N -1.328 119.171 120.400 0.166 0.000 2.609 282 D HA 0.564 5.207 4.640 0.004 0.000 0.239 282 D C -1.582 174.852 176.300 0.223 0.000 1.229 282 D CA -0.646 53.495 54.000 0.235 0.000 0.808 282 D CB 1.940 42.881 40.800 0.236 0.000 1.448 282 D HN 1.034 nan 8.370 nan 0.000 0.433 283 V N 0.489 120.526 119.914 0.205 0.000 2.697 283 V HA 0.862 4.984 4.120 0.004 0.000 0.300 283 V C -0.519 175.384 176.094 -0.318 0.000 1.115 283 V CA 0.590 62.904 62.300 0.024 0.000 0.912 283 V CB 0.951 32.769 31.823 -0.009 0.000 1.024 283 V HN 1.224 nan 8.190 nan 0.000 0.431 284 G N 4.354 112.850 108.800 -0.507 0.000 2.554 284 G HA2 0.698 4.660 3.960 0.004 0.000 0.306 284 G HA3 0.698 4.660 3.960 0.004 0.000 0.306 284 G C -1.621 172.963 174.900 -0.527 0.000 1.320 284 G CA 0.096 44.623 45.100 -0.954 0.000 0.800 284 G HN 1.283 nan 8.290 nan 0.000 0.481 285 V N -0.871 118.693 119.914 -0.583 0.000 2.914 285 V HA 0.851 4.973 4.120 0.004 0.000 0.314 285 V C -0.234 175.765 176.094 -0.158 0.000 1.084 285 V CA -1.069 61.043 62.300 -0.313 0.000 0.963 285 V CB 1.883 33.474 31.823 -0.387 0.000 1.025 285 V HN 0.961 nan 8.190 nan 0.000 0.432 286 R N 2.566 123.048 120.500 -0.030 0.000 2.561 286 R HA 0.704 5.047 4.340 0.004 0.000 0.297 286 R C -1.916 174.424 176.300 0.067 0.000 0.969 286 R CA -0.513 55.555 56.100 -0.054 0.000 0.879 286 R CB 1.751 31.953 30.300 -0.163 0.000 1.178 286 R HN 0.801 nan 8.270 nan 0.000 0.445 287 F N 0.632 120.589 119.950 0.012 0.000 2.518 287 F HA 0.513 5.042 4.527 0.004 0.000 0.323 287 F C -1.142 174.663 175.800 0.010 0.000 1.129 287 F CA -1.228 56.805 58.000 0.055 0.000 0.920 287 F CB 1.465 40.550 39.000 0.142 0.000 1.160 287 F HN 0.350 nan 8.300 nan 0.000 0.440 288 D N 3.965 124.401 120.400 0.061 0.000 2.175 288 D HA 0.601 5.244 4.640 0.004 0.000 0.248 288 D C -0.648 175.675 176.300 0.039 0.000 1.047 288 D CA 0.090 54.014 54.000 -0.126 0.000 0.883 288 D CB 1.519 42.271 40.800 -0.080 0.000 1.180 288 D HN 0.471 nan 8.370 nan 0.000 0.438 289 F N 0.000 120.044 119.950 0.157 0.000 2.286 289 F HA 0.000 4.530 4.527 0.004 0.000 0.279 289 F CA 0.000 58.087 58.000 0.146 0.000 1.383 289 F CB 0.000 39.115 39.000 0.191 0.000 1.145 289 F HN 0.000 nan 8.300 nan 0.000 0.574