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 8prn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MISLNGYGRF GLQYVEDRGV GLEDTIISSR LRINIVGTTE TDQGVTFGAA DATA SEQUENCE LAMQWDDGDA FAGTAGNAAQ FWTSYNGVTV SVGNVDTAFD SVALTYASAM 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.328 176.300 0.047 0.000 1.140 1 M CA 0.000 55.326 55.300 0.044 0.000 0.988 1 M CB 0.000 32.632 32.600 0.053 0.000 1.302 2 I N 3.777 124.375 120.570 0.047 0.000 2.418 2 I HA 0.508 4.680 4.170 0.004 0.000 0.287 2 I C -0.305 175.848 176.117 0.061 0.000 1.008 2 I CA -0.388 60.943 61.300 0.052 0.000 1.104 2 I CB 2.291 40.316 38.000 0.042 0.000 1.264 2 I HN 0.744 nan 8.210 nan 0.000 0.438 3 S N 6.982 122.727 115.700 0.075 0.000 2.600 3 S HA 0.769 5.242 4.470 0.004 0.000 0.300 3 S C -0.808 173.845 174.600 0.088 0.000 1.087 3 S CA -0.947 57.301 58.200 0.080 0.000 0.965 3 S CB 2.303 65.555 63.200 0.085 0.000 1.089 3 S HN 0.377 nan 8.310 nan 0.000 0.496 4 L N 2.441 123.720 121.223 0.093 0.000 2.386 4 L HA 0.629 4.972 4.340 0.004 0.000 0.271 4 L C -0.817 176.137 176.870 0.141 0.000 0.993 4 L CA -0.628 54.277 54.840 0.109 0.000 0.819 4 L CB 1.608 43.727 42.059 0.100 0.000 1.294 4 L HN 1.062 nan 8.230 nan 0.000 0.414 5 N N 1.083 119.873 118.700 0.150 0.000 2.853 5 N HA 0.893 5.636 4.740 0.004 0.000 0.258 5 N C -0.556 175.040 175.510 0.143 0.000 1.444 5 N CA -0.402 52.748 53.050 0.167 0.000 0.837 5 N CB 2.447 40.990 38.487 0.095 0.000 1.489 5 N HN 0.711 nan 8.380 nan 0.000 0.529 6 G N -1.633 107.158 108.800 -0.015 0.000 2.360 6 G HA2 0.415 4.377 3.960 0.004 0.000 0.276 6 G HA3 0.415 4.377 3.960 0.004 0.000 0.276 6 G C -2.299 172.119 174.900 -0.804 0.000 1.256 6 G CA -0.258 44.712 45.100 -0.216 0.000 0.890 6 G HN 1.254 nan 8.290 nan 0.000 0.486 7 Y N -1.938 117.847 120.300 -0.858 0.000 2.624 7 Y HA 0.792 5.345 4.550 0.005 0.000 0.334 7 Y C -0.092 175.510 175.900 -0.496 0.000 1.155 7 Y CA -0.974 56.542 58.100 -0.975 0.000 1.046 7 Y CB 1.099 39.246 38.460 -0.521 0.000 1.316 7 Y HN 1.359 nan 8.280 nan 0.000 0.457 8 G N 1.314 109.826 108.800 -0.481 0.000 2.482 8 G HA2 0.738 4.701 3.960 0.004 0.000 0.317 8 G HA3 0.738 4.701 3.960 0.004 0.000 0.317 8 G C -1.729 172.930 174.900 -0.402 0.000 1.241 8 G CA -1.464 43.374 45.100 -0.437 0.000 0.967 8 G HN 1.036 nan 8.290 nan 0.000 0.482 9 R N -0.122 120.415 120.500 0.061 0.000 2.626 9 R HA 0.764 5.107 4.340 0.004 0.000 0.274 9 R C -1.708 174.834 176.300 0.402 0.000 1.031 9 R CA -0.933 55.271 56.100 0.174 0.000 0.898 9 R CB 1.685 32.123 30.300 0.230 0.000 1.222 9 R HN 0.813 nan 8.270 nan 0.000 0.455 10 F N -0.581 119.505 119.950 0.226 0.000 2.654 10 F HA 0.916 5.446 4.527 0.005 0.000 0.308 10 F C -0.498 175.156 175.800 -0.243 0.000 1.108 10 F CA -0.199 57.886 58.000 0.142 0.000 0.957 10 F CB 1.710 40.816 39.000 0.176 0.000 1.309 10 F HN 0.998 nan 8.300 nan 0.000 0.446 11 G N 1.016 109.829 108.800 0.022 0.000 2.344 11 G HA2 0.408 4.371 3.960 0.004 0.000 0.282 11 G HA3 0.408 4.371 3.960 0.004 0.000 0.282 11 G C -2.484 172.444 174.900 0.046 0.000 1.281 11 G CA -0.941 44.004 45.100 -0.259 0.000 0.877 11 G HN 0.847 nan 8.290 nan 0.000 0.494 12 L N 0.689 121.942 121.223 0.050 0.000 2.317 12 L HA 0.718 5.061 4.340 0.004 0.000 0.281 12 L C 0.093 177.121 176.870 0.264 0.000 1.024 12 L CA -0.568 54.368 54.840 0.160 0.000 0.810 12 L CB 1.967 44.091 42.059 0.109 0.000 1.240 12 L HN 0.593 nan 8.230 nan 0.000 0.427 13 Q N 2.961 122.899 119.800 0.230 0.000 2.303 13 Q HA 0.278 4.621 4.340 0.004 0.000 0.267 13 Q C -1.996 174.108 176.000 0.173 0.000 1.011 13 Q CA -0.682 55.238 55.803 0.197 0.000 0.740 13 Q CB 1.973 30.787 28.738 0.126 0.000 1.250 13 Q HN 0.599 nan 8.270 nan 0.000 0.458 14 Y N 3.795 124.130 120.300 0.059 0.000 2.331 14 Y HA 0.560 5.112 4.550 0.004 0.000 0.338 14 Y C -1.567 174.352 175.900 0.032 0.000 0.992 14 Y CA -0.541 57.585 58.100 0.043 0.000 1.121 14 Y CB 1.291 39.777 38.460 0.044 0.000 1.184 14 Y HN 0.335 nan 8.280 nan 0.000 0.469 15 V N 6.857 126.330 119.914 -0.735 0.000 2.419 15 V HA 0.163 4.286 4.120 0.004 0.000 0.287 15 V C -0.337 175.293 176.094 -0.773 0.000 1.017 15 V CA -1.130 60.835 62.300 -0.559 0.000 0.844 15 V CB 1.352 33.027 31.823 -0.246 0.000 1.011 15 V HN 0.816 nan 8.190 nan 0.000 0.429 16 E N 4.359 124.131 120.200 -0.714 0.000 2.558 16 E HA -0.037 4.315 4.350 0.004 0.000 0.255 16 E C -0.204 176.290 176.600 -0.175 0.000 0.968 16 E CA 0.243 56.437 56.400 -0.344 0.000 0.939 16 E CB 0.244 29.928 29.700 -0.025 0.000 0.921 16 E HN 0.740 nan 8.360 nan 0.000 0.477 17 D N 3.300 123.636 120.400 -0.107 0.000 2.735 17 D HA -0.250 4.392 4.640 0.004 0.000 0.235 17 D C 0.780 177.033 176.300 -0.078 0.000 1.175 17 D CA 0.746 54.709 54.000 -0.062 0.000 0.683 17 D CB -0.581 40.203 40.800 -0.028 0.000 1.008 17 D HN 0.631 nan 8.370 nan 0.000 0.416 18 R N 0.177 120.614 120.500 -0.105 0.000 2.103 18 R HA -0.067 4.276 4.340 0.004 0.000 0.242 18 R C 1.285 177.552 176.300 -0.055 0.000 1.142 18 R CA 1.879 57.926 56.100 -0.089 0.000 0.960 18 R CB 0.129 30.374 30.300 -0.092 0.000 0.858 18 R HN 0.463 nan 8.270 nan 0.000 0.439 19 G N -1.668 107.107 108.800 -0.041 0.000 2.377 19 G HA2 0.146 4.108 3.960 0.004 0.000 0.297 19 G HA3 0.146 4.108 3.960 0.004 0.000 0.297 19 G C -1.725 173.164 174.900 -0.019 0.000 1.547 19 G CA -0.566 44.517 45.100 -0.029 0.000 0.833 19 G HN 0.095 nan 8.290 nan 0.000 0.583 20 V N 1.462 121.367 119.914 -0.015 0.000 2.450 20 V HA 0.465 4.588 4.120 0.004 0.000 0.281 20 V C 1.470 177.559 176.094 -0.008 0.000 1.019 20 V CA 2.132 64.427 62.300 -0.009 0.000 1.062 20 V CB 0.455 32.274 31.823 -0.007 0.000 0.979 20 V HN 2.813 nan 8.190 nan 0.000 0.477 21 G N 4.815 113.613 108.800 -0.004 0.000 2.143 21 G HA2 -0.209 3.754 3.960 0.004 0.000 0.248 21 G HA3 -0.209 3.754 3.960 0.004 0.000 0.248 21 G C -0.214 174.684 174.900 -0.003 0.000 0.991 21 G CA 0.456 45.554 45.100 -0.002 0.000 0.689 21 G HN 0.893 nan 8.290 nan 0.000 0.522 22 L N -0.629 120.589 121.223 -0.007 0.000 2.334 22 L HA 0.731 5.074 4.340 0.004 0.000 0.272 22 L C 0.393 177.260 176.870 -0.005 0.000 1.020 22 L CA -1.238 53.596 54.840 -0.010 0.000 0.812 22 L CB 1.519 43.565 42.059 -0.021 0.000 1.264 22 L HN 0.076 nan 8.230 nan 0.000 0.439 23 E N 0.450 120.650 120.200 0.000 0.000 2.289 23 E HA 0.056 4.408 4.350 0.004 0.000 0.278 23 E C -0.006 176.594 176.600 0.000 0.000 1.032 23 E CA -0.053 56.355 56.400 0.013 0.000 0.854 23 E CB 0.954 30.669 29.700 0.024 0.000 1.046 23 E HN 0.388 nan 8.360 nan 0.000 0.409 24 D N 2.012 122.417 120.400 0.008 0.000 2.183 24 D HA -0.043 4.599 4.640 0.004 0.000 0.203 24 D C -0.143 176.145 176.300 -0.020 0.000 0.969 24 D CA 0.998 54.959 54.000 -0.065 0.000 0.842 24 D CB 0.219 40.966 40.800 -0.089 0.000 0.957 24 D HN 0.318 nan 8.370 nan 0.000 0.484 25 T N 1.729 116.348 114.554 0.108 0.000 2.771 25 T HA 0.550 4.903 4.350 0.004 0.000 0.281 25 T C 0.395 175.153 174.700 0.098 0.000 0.982 25 T CA -0.602 61.591 62.100 0.155 0.000 0.978 25 T CB 1.335 70.332 68.868 0.214 0.000 0.930 25 T HN 0.030 nan 8.240 nan 0.000 0.447 26 I N -0.369 120.259 120.570 0.096 0.000 3.145 26 I HA 0.650 4.823 4.170 0.004 0.000 0.313 26 I C -0.983 175.203 176.117 0.114 0.000 1.122 26 I CA -1.722 59.629 61.300 0.084 0.000 0.987 26 I CB 1.929 39.963 38.000 0.057 0.000 1.236 26 I HN 0.458 nan 8.210 nan 0.000 0.453 27 I N 2.908 123.545 120.570 0.112 0.000 2.294 27 I HA 0.163 4.336 4.170 0.004 0.000 0.295 27 I C 0.328 176.548 176.117 0.172 0.000 1.098 27 I CA 0.183 61.573 61.300 0.149 0.000 1.277 27 I CB 1.035 39.114 38.000 0.131 0.000 1.434 27 I HN 0.578 nan 8.210 nan 0.000 0.498 28 S N 5.146 120.979 115.700 0.222 0.000 2.508 28 S HA 0.719 5.192 4.470 0.004 0.000 0.284 28 S C -0.275 174.509 174.600 0.305 0.000 1.192 28 S CA -0.418 57.899 58.200 0.194 0.000 1.070 28 S CB 0.835 64.114 63.200 0.132 0.000 1.004 28 S HN 0.689 nan 8.310 nan 0.000 0.493 29 S N 3.933 119.765 115.700 0.220 0.000 2.570 29 S HA 0.698 5.171 4.470 0.004 0.000 0.270 29 S C -1.118 173.604 174.600 0.203 0.000 1.149 29 S CA -1.091 57.307 58.200 0.329 0.000 0.837 29 S CB 1.654 65.127 63.200 0.454 0.000 1.124 29 S HN 0.894 nan 8.310 nan 0.000 0.465 30 R N 0.706 121.368 120.500 0.269 0.000 2.604 30 R HA 0.666 5.009 4.340 0.004 0.000 0.281 30 R C -2.303 174.122 176.300 0.207 0.000 1.020 30 R CA -0.859 55.341 56.100 0.168 0.000 0.899 30 R CB 1.548 31.895 30.300 0.078 0.000 1.205 30 R HN 0.742 nan 8.270 nan 0.000 0.450 31 L N 3.768 125.139 121.223 0.248 0.000 2.333 31 L HA 0.612 4.955 4.340 0.004 0.000 0.280 31 L C -1.196 175.643 176.870 -0.052 0.000 1.004 31 L CA -0.329 54.594 54.840 0.139 0.000 0.820 31 L CB 1.465 43.668 42.059 0.240 0.000 1.247 31 L HN 0.705 nan 8.230 nan 0.000 0.416 32 R N 5.096 125.403 120.500 -0.322 0.000 2.476 32 R HA 0.750 5.092 4.340 0.004 0.000 0.305 32 R C -1.845 174.348 176.300 -0.178 0.000 0.965 32 R CA -0.315 55.556 56.100 -0.382 0.000 0.867 32 R CB 1.033 30.882 30.300 -0.752 0.000 1.176 32 R HN 0.744 nan 8.270 nan 0.000 0.447 33 I N 3.872 124.431 120.570 -0.019 0.000 2.433 33 I HA 0.389 4.561 4.170 0.004 0.000 0.292 33 I C -0.571 175.581 176.117 0.058 0.000 1.001 33 I CA -0.924 60.419 61.300 0.071 0.000 1.119 33 I CB 2.063 40.128 38.000 0.109 0.000 1.289 33 I HN 0.565 nan 8.210 nan 0.000 0.438 34 N N 7.263 126.006 118.700 0.071 0.000 2.408 34 N HA 0.538 5.280 4.740 0.004 0.000 0.280 34 N C -0.874 174.689 175.510 0.088 0.000 1.002 34 N CA -0.407 52.689 53.050 0.076 0.000 0.907 34 N CB 2.444 40.969 38.487 0.063 0.000 1.161 34 N HN 0.410 nan 8.380 nan 0.000 0.488 35 I N 1.810 122.431 120.570 0.085 0.000 2.330 35 I HA 0.274 4.447 4.170 0.004 0.000 0.289 35 I C -0.329 175.843 176.117 0.091 0.000 1.001 35 I CA -0.777 60.571 61.300 0.079 0.000 1.193 35 I CB 1.309 39.346 38.000 0.061 0.000 1.345 35 I HN 0.008 nan 8.210 nan 0.000 0.461 36 V N 5.342 125.319 119.914 0.104 0.000 2.409 36 V HA 0.640 4.762 4.120 0.004 0.000 0.291 36 V C 0.478 176.629 176.094 0.096 0.000 1.020 36 V CA -0.570 61.813 62.300 0.138 0.000 0.848 36 V CB 1.499 33.443 31.823 0.200 0.000 0.990 36 V HN 0.859 nan 8.190 nan 0.000 0.430 37 G N 2.684 111.512 108.800 0.046 0.000 2.372 37 G HA2 0.697 4.659 3.960 0.004 0.000 0.323 37 G HA3 0.697 4.659 3.960 0.004 0.000 0.323 37 G C -0.234 174.657 174.900 -0.016 0.000 1.152 37 G CA -0.310 44.801 45.100 0.019 0.000 0.906 37 G HN 0.783 nan 8.290 nan 0.000 0.460 38 T N -1.464 113.106 114.554 0.026 0.000 2.906 38 T HA 0.747 5.100 4.350 0.004 0.000 0.295 38 T C -0.535 174.197 174.700 0.054 0.000 1.061 38 T CA -0.777 61.340 62.100 0.029 0.000 1.000 38 T CB 2.234 71.169 68.868 0.112 0.000 1.103 38 T HN 0.341 nan 8.240 nan 0.000 0.486 39 T N 2.259 116.864 114.554 0.085 0.000 2.906 39 T HA 0.408 4.760 4.350 0.004 0.000 0.302 39 T C -0.586 174.215 174.700 0.168 0.000 1.002 39 T CA -0.710 61.458 62.100 0.113 0.000 0.988 39 T CB 1.058 69.989 68.868 0.105 0.000 0.972 39 T HN 0.687 nan 8.240 nan 0.000 0.447 40 E N 2.340 122.618 120.200 0.129 0.000 2.301 40 E HA 0.497 4.850 4.350 0.004 0.000 0.275 40 E C 0.327 177.004 176.600 0.129 0.000 1.030 40 E CA -0.653 55.824 56.400 0.127 0.000 0.852 40 E CB 1.099 30.859 29.700 0.099 0.000 1.060 40 E HN 0.675 nan 8.360 nan 0.000 0.401 41 T N -1.465 113.172 114.554 0.138 0.000 2.942 41 T HA 0.172 4.524 4.350 0.004 0.000 0.289 41 T C 0.517 175.275 174.700 0.096 0.000 1.044 41 T CA -0.887 61.286 62.100 0.122 0.000 1.023 41 T CB 1.273 70.235 68.868 0.156 0.000 1.123 41 T HN 0.411 nan 8.240 nan 0.000 0.512 42 D N -0.155 120.291 120.400 0.078 0.000 2.347 42 D HA -0.079 4.563 4.640 0.004 0.000 0.215 42 D C 1.585 177.931 176.300 0.077 0.000 0.976 42 D CA 0.487 54.529 54.000 0.069 0.000 0.884 42 D CB -0.176 40.656 40.800 0.052 0.000 0.915 42 D HN 0.405 nan 8.370 nan 0.000 0.526 43 Q N 0.007 119.856 119.800 0.082 0.000 2.435 43 Q HA 0.132 4.474 4.340 0.004 0.000 0.207 43 Q C 1.650 177.736 176.000 0.142 0.000 0.956 43 Q CA 1.151 57.004 55.803 0.082 0.000 0.917 43 Q CB 0.188 28.951 28.738 0.041 0.000 0.997 43 Q HN 0.582 nan 8.270 nan 0.000 0.497 44 G N -0.307 108.585 108.800 0.152 0.000 2.176 44 G HA2 -0.227 3.736 3.960 0.004 0.000 0.232 44 G HA3 -0.227 3.736 3.960 0.004 0.000 0.232 44 G C 0.104 175.161 174.900 0.261 0.000 0.986 44 G CA 0.156 45.389 45.100 0.221 0.000 0.643 44 G HN 0.202 nan 8.290 nan 0.000 0.522 45 V N 1.850 121.849 119.914 0.143 0.000 2.465 45 V HA 0.642 4.765 4.120 0.004 0.000 0.279 45 V C 0.578 176.653 176.094 -0.031 0.000 1.045 45 V CA 0.138 62.449 62.300 0.018 0.000 0.938 45 V CB 1.557 33.282 31.823 -0.164 0.000 0.986 45 V HN 0.265 nan 8.190 nan 0.000 0.467 46 T N 5.565 120.063 114.554 -0.094 0.000 2.824 46 T HA 0.662 5.015 4.350 0.004 0.000 0.280 46 T C -0.699 173.831 174.700 -0.283 0.000 0.995 46 T CA -0.060 62.022 62.100 -0.029 0.000 1.009 46 T CB 0.762 69.700 68.868 0.118 0.000 0.955 46 T HN 0.298 nan 8.240 nan 0.000 0.452 47 F N 1.081 121.008 119.950 -0.039 0.000 2.480 47 F HA 0.728 5.257 4.527 0.004 0.000 0.329 47 F C 0.862 176.403 175.800 -0.431 0.000 1.091 47 F CA -0.527 57.356 58.000 -0.195 0.000 0.972 47 F CB 2.109 41.035 39.000 -0.123 0.000 1.150 47 F HN 0.709 nan 8.300 nan 0.000 0.467 48 G N 0.427 108.729 108.800 -0.830 0.000 2.690 48 G HA2 0.762 4.725 3.960 0.004 0.000 0.293 48 G HA3 0.762 4.725 3.960 0.004 0.000 0.293 48 G C -2.209 171.951 174.900 -1.234 0.000 1.399 48 G CA -0.935 43.303 45.100 -1.437 0.000 0.890 48 G HN 0.872 nan 8.290 nan 0.000 0.485 49 A N -0.541 121.823 122.820 -0.761 0.000 2.455 49 A HA 0.991 5.314 4.320 0.004 0.000 0.300 49 A C -0.394 177.131 177.584 -0.098 0.000 1.040 49 A CA -0.004 51.809 52.037 -0.372 0.000 0.697 49 A CB 1.685 20.555 19.000 -0.217 0.000 1.265 49 A HN 2.278 nan 8.150 nan 0.000 0.407 50 A N 1.070 123.916 122.820 0.043 0.000 2.435 50 A HA 0.843 5.166 4.320 0.004 0.000 0.304 50 A C -1.506 176.119 177.584 0.068 0.000 1.064 50 A CA -0.442 51.686 52.037 0.152 0.000 0.727 50 A CB 1.444 20.635 19.000 0.318 0.000 1.284 50 A HN 1.741 nan 8.150 nan 0.000 0.415 51 L N 1.094 122.365 121.223 0.081 0.000 2.388 51 L HA 0.894 5.236 4.340 0.004 0.000 0.264 51 L C -0.118 176.817 176.870 0.109 0.000 0.998 51 L CA -0.080 54.803 54.840 0.072 0.000 0.817 51 L CB 2.006 44.085 42.059 0.034 0.000 1.338 51 L HN 1.123 nan 8.230 nan 0.000 0.414 52 A N 5.040 127.934 122.820 0.123 0.000 2.355 52 A HA 0.888 5.210 4.320 0.004 0.000 0.324 52 A C -1.062 176.570 177.584 0.080 0.000 1.117 52 A CA -0.583 51.525 52.037 0.118 0.000 0.785 52 A CB 1.294 20.400 19.000 0.177 0.000 1.254 52 A HN 0.698 nan 8.150 nan 0.000 0.453 53 M N 2.090 121.731 119.600 0.070 0.000 2.093 53 M HA 0.349 4.832 4.480 0.004 0.000 0.297 53 M C -0.754 175.588 176.300 0.071 0.000 0.938 53 M CA 0.013 55.359 55.300 0.076 0.000 0.920 53 M CB 1.841 34.486 32.600 0.074 0.000 1.517 53 M HN 0.842 nan 8.290 nan 0.000 0.427 54 Q N 2.528 122.376 119.800 0.080 0.000 2.337 54 Q HA 0.464 4.806 4.340 0.004 0.000 0.270 54 Q C -2.110 173.973 176.000 0.138 0.000 1.043 54 Q CA -0.555 55.286 55.803 0.063 0.000 0.794 54 Q CB 2.668 31.402 28.738 -0.005 0.000 1.281 54 Q HN 0.761 nan 8.270 nan 0.000 0.446 55 W N 4.501 125.792 121.300 -0.015 0.000 2.702 55 W HA 0.494 5.156 4.660 0.004 0.000 0.331 55 W C -1.438 175.080 176.519 -0.002 0.000 1.049 55 W CA -0.317 57.032 57.345 0.007 0.000 1.230 55 W CB 1.461 30.936 29.460 0.025 0.000 1.408 55 W HN 0.519 nan 8.180 nan 0.000 0.492 56 D N 4.438 124.185 120.400 -1.089 0.000 2.738 56 D HA 0.046 4.689 4.640 0.004 0.000 0.237 56 D C -0.750 174.570 176.300 -1.634 0.000 1.123 56 D CA -0.383 52.957 54.000 -1.099 0.000 0.856 56 D CB 2.099 42.580 40.800 -0.532 0.000 1.552 56 D HN 0.532 nan 8.370 nan 0.000 0.480 57 D N -0.149 119.534 120.400 -1.194 0.000 2.472 57 D HA 0.121 4.764 4.640 0.004 0.000 0.237 57 D C 1.013 177.087 176.300 -0.376 0.000 1.141 57 D CA 0.321 53.932 54.000 -0.649 0.000 0.875 57 D CB 1.392 42.089 40.800 -0.173 0.000 1.192 57 D HN 0.685 nan 8.370 nan 0.000 0.450 58 G N 2.260 110.958 108.800 -0.170 0.000 2.217 58 G HA2 -0.246 3.716 3.960 0.004 0.000 0.246 58 G HA3 -0.246 3.716 3.960 0.004 0.000 0.246 58 G C 0.037 174.849 174.900 -0.146 0.000 0.990 58 G CA 0.158 45.184 45.100 -0.124 0.000 0.627 58 G HN 0.684 nan 8.290 nan 0.000 0.522 59 D N 1.548 121.820 120.400 -0.214 0.000 2.455 59 D HA 0.515 5.158 4.640 0.004 0.000 0.241 59 D C 1.084 177.355 176.300 -0.048 0.000 1.138 59 D CA 0.890 54.797 54.000 -0.154 0.000 0.877 59 D CB 0.993 41.686 40.800 -0.178 0.000 1.187 59 D HN 0.823 nan 8.370 nan 0.000 0.451 60 A N 2.432 125.176 122.820 -0.127 0.000 2.561 60 A HA 0.178 4.500 4.320 0.004 0.000 0.234 60 A C 0.348 177.827 177.584 -0.175 0.000 1.055 60 A CA -0.022 51.799 52.037 -0.360 0.000 0.756 60 A CB -0.437 18.154 19.000 -0.681 0.000 0.986 60 A HN 0.636 nan 8.150 nan 0.000 0.505 61 F N -0.495 119.513 119.950 0.097 0.000 2.871 61 F HA -0.264 4.266 4.527 0.004 0.000 0.326 61 F C 1.368 177.235 175.800 0.111 0.000 0.675 61 F CA 1.267 59.319 58.000 0.087 0.000 1.188 61 F CB -2.166 36.876 39.000 0.069 0.000 1.567 61 F HN 1.990 nan 8.300 nan 0.000 0.325 62 A N -0.737 122.239 122.820 0.260 0.000 2.640 62 A HA 0.203 4.525 4.320 0.004 0.000 0.300 62 A C 1.002 178.740 177.584 0.257 0.000 1.499 62 A CA 1.521 53.729 52.037 0.285 0.000 0.759 62 A CB -1.628 17.480 19.000 0.179 0.000 1.048 62 A HN 2.060 nan 8.150 nan 0.000 0.450 63 G N -1.750 107.254 108.800 0.340 0.000 2.694 63 G HA2 0.818 4.781 3.960 0.004 0.000 0.290 63 G HA3 0.818 4.781 3.960 0.004 0.000 0.290 63 G C -0.768 174.339 174.900 0.346 0.000 1.386 63 G CA 0.270 45.524 45.100 0.256 0.000 0.872 63 G HN 0.852 nan 8.290 nan 0.000 0.475 64 T N -0.287 114.401 114.554 0.224 0.000 2.886 64 T HA 0.782 5.135 4.350 0.004 0.000 0.292 64 T C -0.048 174.741 174.700 0.148 0.000 1.012 64 T CA -0.012 62.229 62.100 0.236 0.000 0.982 64 T CB 1.719 70.701 68.868 0.189 0.000 1.018 64 T HN 1.172 nan 8.240 nan 0.000 0.451 65 A N 1.630 124.550 122.820 0.166 0.000 2.483 65 A HA 1.013 5.336 4.320 0.004 0.000 0.286 65 A C 0.243 177.894 177.584 0.111 0.000 1.207 65 A CA -0.659 51.435 52.037 0.096 0.000 0.764 65 A CB 1.076 20.099 19.000 0.037 0.000 1.341 65 A HN 1.008 nan 8.150 nan 0.000 0.428 66 G N -0.346 108.497 108.800 0.072 0.000 2.511 66 G HA2 0.478 4.441 3.960 0.004 0.000 0.316 66 G HA3 0.478 4.441 3.960 0.004 0.000 0.316 66 G C -0.079 174.865 174.900 0.073 0.000 1.210 66 G CA -0.189 44.951 45.100 0.068 0.000 0.969 66 G HN 0.984 nan 8.290 nan 0.000 0.492 67 N N -0.620 118.102 118.700 0.037 0.000 2.562 67 N HA 0.571 5.314 4.740 0.004 0.000 0.299 67 N C -0.059 175.441 175.510 -0.017 0.000 1.344 67 N CA -0.120 52.925 53.050 -0.008 0.000 0.914 67 N CB 0.099 38.523 38.487 -0.105 0.000 1.101 67 N HN 0.637 nan 8.380 nan 0.000 0.527 68 A N -0.936 121.845 122.820 -0.065 0.000 2.301 68 A HA 0.700 5.022 4.320 0.004 0.000 0.312 68 A C 0.340 177.909 177.584 -0.025 0.000 1.182 68 A CA -0.499 51.522 52.037 -0.027 0.000 0.826 68 A CB -0.144 18.843 19.000 -0.022 0.000 1.134 68 A HN 0.912 nan 8.150 nan 0.000 0.501 69 A N 1.498 124.303 122.820 -0.025 0.000 2.536 69 A HA 0.414 4.736 4.320 0.004 0.000 0.234 69 A C 0.364 177.853 177.584 -0.159 0.000 1.076 69 A CA 0.416 52.344 52.037 -0.181 0.000 0.769 69 A CB 0.083 18.849 19.000 -0.390 0.000 1.020 69 A HN 0.918 nan 8.150 nan 0.000 0.508 70 Q N 0.084 119.730 119.800 -0.256 0.000 2.337 70 Q HA 0.632 4.975 4.340 0.004 0.000 0.270 70 Q C -2.000 173.862 176.000 -0.231 0.000 1.043 70 Q CA -0.412 55.388 55.803 -0.006 0.000 0.794 70 Q CB 1.123 30.020 28.738 0.264 0.000 1.281 70 Q HN 0.608 nan 8.270 nan 0.000 0.446 71 F N 2.346 122.463 119.950 0.278 0.000 2.561 71 F HA 0.760 5.290 4.527 0.004 0.000 0.321 71 F C -0.569 175.428 175.800 0.329 0.000 1.065 71 F CA -0.615 57.491 58.000 0.178 0.000 0.934 71 F CB 1.216 40.271 39.000 0.092 0.000 1.215 71 F HN 0.635 nan 8.300 nan 0.000 0.471 72 W N -0.495 120.984 121.300 0.299 0.000 3.025 72 W HA 0.823 5.486 4.660 0.005 0.000 0.343 72 W C -2.242 174.345 176.519 0.113 0.000 1.246 72 W CA -1.178 56.277 57.345 0.182 0.000 1.178 72 W CB 1.209 30.741 29.460 0.120 0.000 1.463 72 W HN 0.436 nan 8.180 nan 0.000 0.578 73 T N 2.099 116.822 114.554 0.282 0.000 2.921 73 T HA 0.594 4.947 4.350 0.004 0.000 0.297 73 T C -1.254 173.538 174.700 0.153 0.000 1.013 73 T CA -0.631 61.454 62.100 -0.025 0.000 0.990 73 T CB 1.593 70.359 68.868 -0.169 0.000 1.023 73 T HN 0.482 nan 8.240 nan 0.000 0.447 74 S N 2.094 117.859 115.700 0.109 0.000 2.500 74 S HA 0.746 5.218 4.470 0.004 0.000 0.301 74 S C -1.804 172.890 174.600 0.158 0.000 1.092 74 S CA -0.634 57.658 58.200 0.154 0.000 1.030 74 S CB 1.001 64.315 63.200 0.190 0.000 1.031 74 S HN 0.667 nan 8.310 nan 0.000 0.483 75 Y N 3.035 123.334 120.300 -0.003 0.000 2.313 75 Y HA 0.318 4.871 4.550 0.005 0.000 0.320 75 Y C -0.307 175.604 175.900 0.017 0.000 1.171 75 Y CA -0.771 57.324 58.100 -0.008 0.000 1.093 75 Y CB 0.527 38.967 38.460 -0.033 0.000 1.224 75 Y HN 0.836 nan 8.280 nan 0.000 0.421 76 N N 4.336 122.809 118.700 -0.378 0.000 2.727 76 N HA -0.156 4.587 4.740 0.004 0.000 0.251 76 N C 0.889 176.349 175.510 -0.083 0.000 1.040 76 N CA 2.103 54.945 53.050 -0.348 0.000 0.712 76 N CB -0.916 37.199 38.487 -0.619 0.000 0.912 76 N HN 1.530 nan 8.380 nan 0.000 0.545 77 G N -2.775 106.023 108.800 -0.003 0.000 2.179 77 G HA2 -0.307 3.656 3.960 0.004 0.000 0.260 77 G HA3 -0.307 3.656 3.960 0.004 0.000 0.260 77 G C 0.092 175.106 174.900 0.190 0.000 0.977 77 G CA 0.355 45.505 45.100 0.083 0.000 0.641 77 G HN 0.628 nan 8.290 nan 0.000 0.533 78 V N 1.249 121.245 119.914 0.136 0.000 2.427 78 V HA 0.721 4.844 4.120 0.004 0.000 0.286 78 V C 0.223 176.376 176.094 0.099 0.000 1.034 78 V CA -0.002 62.365 62.300 0.112 0.000 0.893 78 V CB 1.736 33.551 31.823 -0.013 0.000 0.982 78 V HN 0.270 nan 8.190 nan 0.000 0.452 79 T N 4.097 118.707 114.554 0.093 0.000 2.840 79 T HA 0.556 4.908 4.350 0.004 0.000 0.287 79 T C -0.509 174.265 174.700 0.124 0.000 0.991 79 T CA -0.388 61.775 62.100 0.105 0.000 0.964 79 T CB 1.690 70.583 68.868 0.042 0.000 0.954 79 T HN 0.346 nan 8.240 nan 0.000 0.438 80 V N 3.685 123.696 119.914 0.162 0.000 2.435 80 V HA 0.774 4.896 4.120 0.004 0.000 0.290 80 V C 0.072 176.316 176.094 0.251 0.000 1.030 80 V CA -0.699 61.705 62.300 0.173 0.000 0.881 80 V CB 1.711 33.618 31.823 0.140 0.000 0.983 80 V HN 1.062 nan 8.190 nan 0.000 0.445 81 S N 3.648 119.501 115.700 0.255 0.000 2.548 81 S HA 0.915 5.387 4.470 0.004 0.000 0.286 81 S C -1.055 173.726 174.600 0.300 0.000 1.098 81 S CA -0.739 57.660 58.200 0.331 0.000 0.930 81 S CB 2.047 65.441 63.200 0.323 0.000 1.070 81 S HN 0.479 nan 8.310 nan 0.000 0.480 82 V N 1.165 121.292 119.914 0.355 0.000 2.876 82 V HA 0.947 5.070 4.120 0.004 0.000 0.312 82 V C 1.044 177.382 176.094 0.407 0.000 1.085 82 V CA 0.169 62.666 62.300 0.330 0.000 0.945 82 V CB 0.685 32.678 31.823 0.283 0.000 1.017 82 V HN 1.739 nan 8.190 nan 0.000 0.428 83 G N 3.372 112.366 108.800 0.324 0.000 2.848 83 G HA2 -0.230 3.732 3.960 0.004 0.000 0.246 83 G HA3 -0.230 3.732 3.960 0.004 0.000 0.246 83 G C -0.003 175.074 174.900 0.294 0.000 1.374 83 G CA 0.312 45.606 45.100 0.324 0.000 0.982 83 G HN 0.977 nan 8.290 nan 0.000 0.563 84 N N 1.688 120.550 118.700 0.270 0.000 2.719 84 N HA 0.457 5.200 4.740 0.004 0.000 0.243 84 N C 0.484 176.209 175.510 0.358 0.000 1.104 84 N CA 0.458 53.653 53.050 0.242 0.000 0.981 84 N CB 0.190 38.700 38.487 0.038 0.000 1.290 84 N HN 1.221 nan 8.380 nan 0.000 0.513 85 V N -0.381 119.743 119.914 0.351 0.000 2.997 85 V HA 0.538 4.661 4.120 0.004 0.000 0.311 85 V C 0.362 176.663 176.094 0.346 0.000 1.066 85 V CA -0.943 61.552 62.300 0.326 0.000 1.039 85 V CB 1.235 33.213 31.823 0.257 0.000 1.081 85 V HN 0.286 nan 8.190 nan 0.000 0.467 86 D N 2.049 122.595 120.400 0.244 0.000 2.304 86 D HA 0.382 5.025 4.640 0.004 0.000 0.250 86 D C 0.360 176.778 176.300 0.196 0.000 1.107 86 D CA 0.288 54.405 54.000 0.195 0.000 0.885 86 D CB 1.766 42.612 40.800 0.076 0.000 1.192 86 D HN 0.988 nan 8.370 nan 0.000 0.436 87 T N -1.790 112.888 114.554 0.207 0.000 2.934 87 T HA 0.508 4.860 4.350 0.004 0.000 0.283 87 T C 1.299 176.054 174.700 0.092 0.000 1.005 87 T CA -0.680 61.530 62.100 0.183 0.000 1.041 87 T CB 1.851 70.872 68.868 0.255 0.000 1.042 87 T HN 0.253 nan 8.240 nan 0.000 0.505 88 A N 1.259 124.119 122.820 0.067 0.000 1.892 88 A HA -0.025 4.298 4.320 0.004 0.000 0.218 88 A C 1.875 179.383 177.584 -0.126 0.000 1.188 88 A CA 1.521 53.545 52.037 -0.022 0.000 0.631 88 A CB -1.281 17.736 19.000 0.030 0.000 0.822 88 A HN 0.880 nan 8.150 nan 0.000 0.447 89 F N 0.348 120.167 119.950 -0.218 0.000 2.234 89 F HA -0.100 4.430 4.527 0.005 0.000 0.299 89 F C 1.792 177.335 175.800 -0.428 0.000 1.087 89 F CA 1.888 59.658 58.000 -0.384 0.000 1.340 89 F CB -0.099 38.557 39.000 -0.574 0.000 1.031 89 F HN 0.360 nan 8.300 nan 0.000 0.500 90 D N -1.424 118.945 120.400 -0.052 0.000 2.323 90 D HA -0.048 4.594 4.640 0.004 0.000 0.209 90 D C 1.819 178.109 176.300 -0.017 0.000 0.973 90 D CA 0.996 55.064 54.000 0.113 0.000 0.874 90 D CB 0.191 41.219 40.800 0.379 0.000 0.930 90 D HN 0.143 nan 8.370 nan 0.000 0.521 91 S N -0.638 114.929 115.700 -0.221 0.000 2.497 91 S HA 0.101 4.573 4.470 0.004 0.000 0.218 91 S C 0.679 174.902 174.600 -0.627 0.000 1.023 91 S CA -0.187 57.801 58.200 -0.352 0.000 0.913 91 S CB 0.448 63.421 63.200 -0.379 0.000 0.800 91 S HN 0.173 nan 8.310 nan 0.000 0.505 92 V N 1.879 121.324 119.914 -0.782 0.000 3.209 92 V HA 0.392 4.514 4.120 0.004 0.000 0.305 92 V C 0.806 176.743 176.094 -0.262 0.000 1.127 92 V CA -0.796 61.165 62.300 -0.565 0.000 1.235 92 V CB -0.570 31.091 31.823 -0.271 0.000 0.987 92 V HN 0.351 nan 8.190 nan 0.000 0.499 93 A N 2.421 125.204 122.820 -0.061 0.000 2.327 93 A HA 0.654 4.976 4.320 0.004 0.000 0.255 93 A C 1.070 178.654 177.584 0.000 0.000 1.099 93 A CA 0.152 52.182 52.037 -0.011 0.000 0.801 93 A CB -0.128 18.902 19.000 0.051 0.000 1.062 93 A HN 1.544 nan 8.150 nan 0.000 0.496 94 L N -1.433 119.791 121.223 0.001 0.000 4.733 94 L HA -0.299 4.043 4.340 0.004 0.000 0.388 94 L C 1.952 178.766 176.870 -0.092 0.000 0.773 94 L CA 1.594 56.471 54.840 0.061 0.000 2.353 94 L CB -1.954 40.254 42.059 0.248 0.000 1.139 94 L HN 0.838 nan 8.230 nan 0.000 0.635 95 T N -1.266 113.030 114.554 -0.430 0.000 2.881 95 T HA -0.114 4.238 4.350 0.004 0.000 0.270 95 T C 1.003 175.240 174.700 -0.771 0.000 1.068 95 T CA 1.956 63.509 62.100 -0.911 0.000 1.131 95 T CB -0.187 67.766 68.868 -1.526 0.000 0.871 95 T HN 0.431 nan 8.240 nan 0.000 0.479 96 Y N -0.228 119.920 120.300 -0.253 0.000 2.636 96 Y HA 0.616 5.168 4.550 0.004 0.000 0.260 96 Y C 1.808 177.546 175.900 -0.269 0.000 1.177 96 Y CA -0.694 57.267 58.100 -0.231 0.000 1.209 96 Y CB -0.406 37.937 38.460 -0.195 0.000 1.166 96 Y HN 0.169 nan 8.280 nan 0.000 0.531 97 A N -0.065 122.596 122.820 -0.265 0.000 2.178 97 A HA -0.150 4.173 4.320 0.004 0.000 0.218 97 A C 2.149 179.357 177.584 -0.628 0.000 1.157 97 A CA 1.828 53.587 52.037 -0.463 0.000 0.689 97 A CB -0.548 18.050 19.000 -0.669 0.000 0.787 97 A HN 0.395 nan 8.150 nan 0.000 0.465 98 S N -0.882 114.517 115.700 -0.503 0.000 2.535 98 S HA 0.527 4.999 4.470 0.004 0.000 0.214 98 S C 0.964 175.452 174.600 -0.188 0.000 0.980 98 S CA 0.327 58.323 58.200 -0.339 0.000 0.907 98 S CB -0.495 62.502 63.200 -0.338 0.000 0.790 98 S HN 0.872 nan 8.310 nan 0.000 0.510 99 A N 2.698 125.415 122.820 -0.171 0.000 2.565 99 A HA 0.527 4.849 4.320 0.004 0.000 0.237 99 A C 0.223 177.778 177.584 -0.048 0.000 1.053 99 A CA 0.024 51.989 52.037 -0.119 0.000 0.755 99 A CB -0.410 18.519 19.000 -0.118 0.000 0.980 99 A HN 0.810 nan 8.150 nan 0.000 0.506 100 M N 0.607 120.200 119.600 -0.013 0.000 2.924 100 M HA 0.808 5.290 4.480 0.004 0.000 0.271 100 M C 0.162 176.467 176.300 0.009 0.000 1.280 100 M CA -0.144 55.176 55.300 0.034 0.000 0.813 100 M CB 1.183 33.857 32.600 0.123 0.000 1.658 100 M HN 2.372 nan 8.290 nan 0.000 0.467 101 G N 0.256 109.083 108.800 0.045 0.000 2.781 101 G HA2 -0.249 3.714 3.960 0.004 0.000 0.683 101 G HA3 -0.249 3.714 3.960 0.004 0.000 0.683 101 G C -0.605 174.323 174.900 0.047 0.000 1.390 101 G CA 0.280 45.416 45.100 0.060 0.000 0.850 101 G HN 1.816 nan 8.290 nan 0.000 0.557 102 Y N -1.297 118.984 120.300 -0.031 0.000 2.571 102 Y HA 0.359 4.911 4.550 0.004 0.000 0.294 102 Y C 1.829 177.686 175.900 -0.072 0.000 1.141 102 Y CA 1.612 59.679 58.100 -0.056 0.000 1.308 102 Y CB 0.138 38.567 38.460 -0.053 0.000 1.002 102 Y HN 0.556 nan 8.280 nan 0.000 0.551 103 E N 1.133 120.982 120.200 -0.584 0.000 2.463 103 E HA 0.332 4.684 4.350 0.004 0.000 0.193 103 E C 0.728 177.148 176.600 -0.300 0.000 1.041 103 E CA 0.221 56.315 56.400 -0.510 0.000 0.879 103 E CB 0.163 29.526 29.700 -0.562 0.000 0.997 103 E HN 0.480 nan 8.360 nan 0.000 0.478 104 A N 1.941 124.628 122.820 -0.221 0.000 2.466 104 A HA -0.196 4.126 4.320 0.004 0.000 0.295 104 A C 0.460 177.919 177.584 -0.208 0.000 1.465 104 A CA 0.858 52.781 52.037 -0.189 0.000 0.744 104 A CB -2.137 16.737 19.000 -0.211 0.000 1.098 104 A HN 0.356 nan 8.150 nan 0.000 0.402 105 S N -0.980 114.599 115.700 -0.201 0.000 2.689 105 S HA 0.930 5.402 4.470 0.004 0.000 0.306 105 S C -0.161 174.307 174.600 -0.220 0.000 1.104 105 S CA 0.037 58.096 58.200 -0.236 0.000 0.973 105 S CB 2.140 65.167 63.200 -0.289 0.000 1.121 105 S HN 2.045 nan 8.310 nan 0.000 0.523 106 S N -0.340 115.181 115.700 -0.299 0.000 2.560 106 S HA 0.459 4.931 4.470 0.004 0.000 0.283 106 S C -0.692 173.694 174.600 -0.355 0.000 1.141 106 S CA -0.725 57.268 58.200 -0.345 0.000 0.902 106 S CB 0.217 63.150 63.200 -0.445 0.000 1.104 106 S HN 0.557 nan 8.310 nan 0.000 0.454 107 F N 2.675 122.551 119.950 -0.123 0.000 2.502 107 F HA 0.190 4.720 4.527 0.004 0.000 0.298 107 F C 2.417 178.168 175.800 -0.082 0.000 1.111 107 F CA 1.047 58.981 58.000 -0.111 0.000 1.445 107 F CB -0.223 38.602 39.000 -0.291 0.000 1.081 107 F HN 0.750 nan 8.300 nan 0.000 0.558 108 G N -0.998 107.675 108.800 -0.210 0.000 2.679 108 G HA2 -0.113 3.850 3.960 0.004 0.000 0.212 108 G HA3 -0.113 3.850 3.960 0.004 0.000 0.212 108 G C 0.364 175.256 174.900 -0.013 0.000 1.137 108 G CA 0.027 45.058 45.100 -0.115 0.000 0.787 108 G HN 0.109 nan 8.290 nan 0.000 0.534 109 D N 0.642 120.998 120.400 -0.074 0.000 2.368 109 D HA 0.420 5.063 4.640 0.004 0.000 0.240 109 D C 0.769 176.953 176.300 -0.194 0.000 1.169 109 D CA -0.013 53.939 54.000 -0.081 0.000 0.906 109 D CB 1.112 41.919 40.800 0.012 0.000 1.187 109 D HN 0.193 nan 8.370 nan 0.000 0.435 110 A N 1.836 124.329 122.820 -0.545 0.000 2.567 110 A HA -0.023 4.299 4.320 0.004 0.000 0.240 110 A C 0.456 177.913 177.584 -0.211 0.000 1.053 110 A CA 0.110 51.693 52.037 -0.757 0.000 0.755 110 A CB 0.117 18.660 19.000 -0.762 0.000 0.978 110 A HN 0.334 nan 8.150 nan 0.000 0.507 111 Q N 1.753 121.452 119.800 -0.169 0.000 2.735 111 Q HA 0.199 4.542 4.340 0.004 0.000 0.380 111 Q C -0.141 175.816 176.000 -0.071 0.000 1.060 111 Q CA 0.126 55.892 55.803 -0.062 0.000 1.025 111 Q CB -0.068 28.631 28.738 -0.066 0.000 1.350 111 Q HN 0.844 nan 8.270 nan 0.000 0.424 112 S N -1.553 114.128 115.700 -0.032 0.000 2.715 112 S HA 0.674 5.146 4.470 0.004 0.000 0.307 112 S C -0.032 174.535 174.600 -0.054 0.000 1.119 112 S CA -0.803 57.374 58.200 -0.039 0.000 0.937 112 S CB 1.852 65.014 63.200 -0.064 0.000 1.150 112 S HN 0.026 nan 8.310 nan 0.000 0.521 113 S N 1.318 116.946 115.700 -0.119 0.000 2.437 113 S HA 0.824 5.296 4.470 0.004 0.000 0.305 113 S C -1.008 173.465 174.600 -0.212 0.000 1.109 113 S CA -0.658 57.394 58.200 -0.247 0.000 1.099 113 S CB -0.198 62.872 63.200 -0.217 0.000 1.004 113 S HN 0.648 nan 8.310 nan 0.000 0.475 114 F N 0.177 119.975 119.950 -0.254 0.000 2.693 114 F HA 0.711 5.241 4.527 0.004 0.000 0.309 114 F C -1.612 174.115 175.800 -0.121 0.000 1.129 114 F CA -1.875 55.940 58.000 -0.309 0.000 0.948 114 F CB 0.336 39.125 39.000 -0.351 0.000 1.315 114 F HN 0.259 nan 8.300 nan 0.000 0.447 115 F N 2.007 122.084 119.950 0.212 0.000 2.418 115 F HA 0.741 5.271 4.527 0.004 0.000 0.341 115 F C 0.610 176.580 175.800 0.285 0.000 1.120 115 F CA -0.310 57.803 58.000 0.188 0.000 1.232 115 F CB 1.066 40.191 39.000 0.208 0.000 1.175 115 F HN 0.919 nan 8.300 nan 0.000 0.569 116 A N 2.040 125.107 122.820 0.412 0.000 2.594 116 A HA 0.492 4.814 4.320 0.004 0.000 0.291 116 A C -1.685 176.048 177.584 0.249 0.000 1.105 116 A CA -0.823 51.416 52.037 0.337 0.000 0.694 116 A CB 0.279 19.452 19.000 0.287 0.000 1.291 116 A HN 0.568 nan 8.150 nan 0.000 0.410 117 Y N 2.126 122.497 120.300 0.118 0.000 2.895 117 Y HA 0.001 4.554 4.550 0.004 0.000 0.334 117 Y C 0.037 175.927 175.900 -0.017 0.000 1.261 117 Y CA 0.566 58.701 58.100 0.058 0.000 1.560 117 Y CB 0.281 38.767 38.460 0.043 0.000 1.253 117 Y HN 0.551 nan 8.280 nan 0.000 0.582 118 N N 5.085 123.402 118.700 -0.637 0.000 2.414 118 N HA 0.066 4.808 4.740 0.004 0.000 0.256 118 N C 0.469 175.567 175.510 -0.686 0.000 1.029 118 N CA -0.064 52.656 53.050 -0.549 0.000 0.948 118 N CB 1.727 39.913 38.487 -0.503 0.000 1.102 118 N HN 0.677 nan 8.380 nan 0.000 0.496 119 S N 1.922 117.398 115.700 -0.373 0.000 2.383 119 S HA -0.020 4.453 4.470 0.004 0.000 0.227 119 S C 0.678 175.183 174.600 -0.158 0.000 1.026 119 S CA 1.166 59.252 58.200 -0.189 0.000 0.981 119 S CB 0.283 63.441 63.200 -0.070 0.000 0.818 119 S HN 0.521 nan 8.310 nan 0.000 0.472 120 K N -0.165 120.116 120.400 -0.198 0.000 2.378 120 K HA 0.417 4.739 4.320 0.004 0.000 0.244 120 K C -0.716 175.777 176.600 -0.178 0.000 1.039 120 K CA -0.944 55.243 56.287 -0.167 0.000 0.863 120 K CB 0.884 33.215 32.500 -0.281 0.000 1.326 120 K HN 0.207 nan 8.250 nan 0.000 0.460 121 Y N -0.776 119.476 120.300 -0.080 0.000 2.220 121 Y HA 0.314 4.867 4.550 0.004 0.000 0.347 121 Y C -0.156 175.697 175.900 -0.079 0.000 1.311 121 Y CA -0.437 57.618 58.100 -0.075 0.000 1.593 121 Y CB 0.418 38.861 38.460 -0.030 0.000 1.419 121 Y HN 0.397 nan 8.280 nan 0.000 0.614 122 D N -0.175 120.248 120.400 0.039 0.000 2.575 122 D HA 0.327 4.969 4.640 0.004 0.000 0.250 122 D C 0.168 176.558 176.300 0.149 0.000 1.279 122 D CA -0.271 53.688 54.000 -0.068 0.000 0.925 122 D CB 1.805 42.551 40.800 -0.091 0.000 1.261 122 D HN 0.861 nan 8.370 nan 0.000 0.567 123 A N 2.728 125.675 122.820 0.212 0.000 2.070 123 A HA -0.130 4.192 4.320 0.004 0.000 0.220 123 A C 1.994 179.648 177.584 0.117 0.000 1.159 123 A CA 1.831 54.014 52.037 0.244 0.000 0.656 123 A CB -0.351 18.808 19.000 0.265 0.000 0.800 123 A HN 0.594 nan 8.150 nan 0.000 0.453 124 S N -1.545 114.192 115.700 0.062 0.000 2.447 124 S HA 0.251 4.723 4.470 0.004 0.000 0.233 124 S C 1.634 176.255 174.600 0.035 0.000 1.006 124 S CA 1.405 59.627 58.200 0.035 0.000 0.957 124 S CB -0.520 62.686 63.200 0.010 0.000 0.773 124 S HN 1.942 nan 8.310 nan 0.000 0.507 125 G N 0.440 109.263 108.800 0.039 0.000 2.176 125 G HA2 -0.224 3.738 3.960 0.004 0.000 0.253 125 G HA3 -0.224 3.738 3.960 0.004 0.000 0.253 125 G C 0.975 175.889 174.900 0.023 0.000 0.979 125 G CA 0.282 45.402 45.100 0.033 0.000 0.641 125 G HN 1.326 nan 8.290 nan 0.000 0.530 126 A N -0.285 122.544 122.820 0.015 0.000 2.067 126 A HA 0.436 4.759 4.320 0.004 0.000 0.219 126 A C 2.157 179.749 177.584 0.013 0.000 1.158 126 A CA 1.627 53.677 52.037 0.021 0.000 0.661 126 A CB -0.191 18.821 19.000 0.020 0.000 0.801 126 A HN 0.795 nan 8.150 nan 0.000 0.452 127 L N -0.956 120.249 121.223 -0.029 0.000 2.607 127 L HA 0.035 4.378 4.340 0.004 0.000 0.228 127 L C 1.126 177.993 176.870 -0.005 0.000 1.123 127 L CA -0.017 54.773 54.840 -0.083 0.000 0.890 127 L CB -0.193 41.727 42.059 -0.233 0.000 1.103 127 L HN 0.175 nan 8.230 nan 0.000 0.468 128 D N 0.967 121.380 120.400 0.021 0.000 2.133 128 D HA -0.187 4.456 4.640 0.004 0.000 0.195 128 D C 1.253 177.588 176.300 0.057 0.000 0.997 128 D CA 1.388 55.410 54.000 0.035 0.000 0.840 128 D CB 0.008 40.828 40.800 0.033 0.000 0.947 128 D HN 0.215 nan 8.370 nan 0.000 0.452 129 N N -0.621 118.122 118.700 0.071 0.000 2.338 129 N HA -0.024 4.719 4.740 0.004 0.000 0.251 129 N C -0.542 175.029 175.510 0.101 0.000 1.199 129 N CA -0.295 52.800 53.050 0.076 0.000 0.879 129 N CB 0.559 39.077 38.487 0.052 0.000 1.159 129 N HN 0.201 nan 8.380 nan 0.000 0.514 130 Y N 2.116 122.383 120.300 -0.054 0.000 2.425 130 Y HA 0.264 4.816 4.550 0.004 0.000 0.331 130 Y C -0.356 175.504 175.900 -0.067 0.000 1.157 130 Y CA -0.214 57.820 58.100 -0.111 0.000 1.372 130 Y CB 0.346 38.695 38.460 -0.184 0.000 1.253 130 Y HN -0.005 nan 8.280 nan 0.000 0.536 131 N N 3.329 121.919 118.700 -0.183 0.000 2.455 131 N HA 0.521 5.263 4.740 0.004 0.000 0.285 131 N C -1.225 174.167 175.510 -0.197 0.000 1.080 131 N CA -0.203 52.822 53.050 -0.041 0.000 0.932 131 N CB 1.569 40.081 38.487 0.041 0.000 1.610 131 N HN 0.939 nan 8.380 nan 0.000 0.493 132 G N 1.891 110.653 108.800 -0.064 0.000 2.473 132 G HA2 0.684 4.646 3.960 0.004 0.000 0.321 132 G HA3 0.684 4.646 3.960 0.004 0.000 0.321 132 G C -1.063 173.936 174.900 0.164 0.000 1.200 132 G CA -0.424 44.662 45.100 -0.024 0.000 0.963 132 G HN 0.462 nan 8.290 nan 0.000 0.483 133 I N 0.642 121.365 120.570 0.255 0.000 2.474 133 I HA 0.677 4.849 4.170 0.004 0.000 0.294 133 I C 0.179 176.451 176.117 0.259 0.000 1.005 133 I CA -0.974 60.487 61.300 0.268 0.000 1.113 133 I CB 1.273 39.440 38.000 0.278 0.000 1.289 133 I HN 0.631 nan 8.210 nan 0.000 0.436 134 A N 5.709 128.666 122.820 0.228 0.000 2.498 134 A HA 0.888 5.211 4.320 0.004 0.000 0.298 134 A C -1.363 176.333 177.584 0.186 0.000 1.075 134 A CA -0.540 51.623 52.037 0.210 0.000 0.714 134 A CB 2.097 21.217 19.000 0.200 0.000 1.299 134 A HN 0.380 nan 8.150 nan 0.000 0.407 135 V N 1.499 121.515 119.914 0.171 0.000 2.623 135 V HA 0.700 4.822 4.120 0.004 0.000 0.304 135 V C -0.093 176.074 176.094 0.122 0.000 1.054 135 V CA -0.049 62.335 62.300 0.140 0.000 0.882 135 V CB 1.961 33.862 31.823 0.130 0.000 1.002 135 V HN 1.254 nan 8.190 nan 0.000 0.424 136 T N 1.518 116.125 114.554 0.088 0.000 2.908 136 T HA 0.847 5.200 4.350 0.004 0.000 0.290 136 T C -1.325 173.433 174.700 0.098 0.000 1.034 136 T CA -0.779 61.331 62.100 0.017 0.000 1.010 136 T CB 2.447 71.276 68.868 -0.064 0.000 1.068 136 T HN 0.641 nan 8.240 nan 0.000 0.481 137 Y N 0.464 120.675 120.300 -0.149 0.000 2.592 137 Y HA 0.574 5.127 4.550 0.005 0.000 0.334 137 Y C -1.585 174.231 175.900 -0.140 0.000 1.136 137 Y CA -1.400 56.635 58.100 -0.107 0.000 1.042 137 Y CB 2.189 40.616 38.460 -0.055 0.000 1.325 137 Y HN 0.915 nan 8.280 nan 0.000 0.457 138 S N 6.068 121.321 115.700 -0.744 0.000 2.745 138 S HA 0.414 4.887 4.470 0.004 0.000 0.283 138 S C 0.247 174.387 174.600 -0.766 0.000 1.170 138 S CA -0.599 57.224 58.200 -0.628 0.000 1.119 138 S CB 1.193 64.210 63.200 -0.304 0.000 1.035 138 S HN 0.770 nan 8.310 nan 0.000 0.483 139 I N 2.025 122.204 120.570 -0.652 0.000 3.780 139 I HA -0.080 4.093 4.170 0.004 0.000 0.123 139 I C 2.250 178.263 176.117 -0.173 0.000 1.013 139 I CA 1.025 62.106 61.300 -0.365 0.000 1.344 139 I CB -0.143 37.743 38.000 -0.189 0.000 1.195 139 I HN 0.656 nan 8.210 nan 0.000 0.453 140 S N -0.395 115.267 115.700 -0.064 0.000 2.365 140 S HA 0.004 4.476 4.470 0.004 0.000 0.194 140 S C 1.333 175.942 174.600 0.014 0.000 1.093 140 S CA 1.010 59.210 58.200 0.000 0.000 1.224 140 S CB -0.719 62.521 63.200 0.066 0.000 0.961 140 S HN 0.717 nan 8.310 nan 0.000 0.412 141 G N 0.833 109.705 108.800 0.120 0.000 3.575 141 G HA2 0.430 4.392 3.960 0.004 0.000 0.273 141 G HA3 0.430 4.392 3.960 0.004 0.000 0.273 141 G C -0.359 174.627 174.900 0.144 0.000 1.053 141 G CA -0.174 44.969 45.100 0.072 0.000 0.803 141 G HN 0.410 nan 8.290 nan 0.000 0.528 142 V N 0.941 120.943 119.914 0.148 0.000 2.509 142 V HA 0.305 4.427 4.120 0.004 0.000 0.284 142 V C -0.345 175.720 176.094 -0.050 0.000 1.047 142 V CA -0.675 61.694 62.300 0.115 0.000 0.952 142 V CB 1.234 33.092 31.823 0.058 0.000 0.988 142 V HN 0.315 nan 8.190 nan 0.000 0.469 143 N N 4.114 122.793 118.700 -0.034 0.000 2.314 143 N HA 0.564 5.306 4.740 0.004 0.000 0.294 143 N C -1.541 173.840 175.510 -0.215 0.000 1.029 143 N CA -0.758 52.172 53.050 -0.200 0.000 0.845 143 N CB 1.817 40.206 38.487 -0.163 0.000 1.321 143 N HN 0.334 nan 8.380 nan 0.000 0.481 144 L N 3.332 124.350 121.223 -0.342 0.000 2.341 144 L HA 0.533 4.876 4.340 0.004 0.000 0.278 144 L C -1.318 175.361 176.870 -0.319 0.000 1.005 144 L CA -0.636 54.117 54.840 -0.146 0.000 0.818 144 L CB 0.635 42.704 42.059 0.016 0.000 1.259 144 L HN 0.595 nan 8.230 nan 0.000 0.418 145 Y N 4.176 124.521 120.300 0.075 0.000 2.442 145 Y HA 0.679 5.232 4.550 0.004 0.000 0.344 145 Y C -0.394 175.534 175.900 0.047 0.000 0.976 145 Y CA -0.851 57.287 58.100 0.063 0.000 1.040 145 Y CB 2.096 40.581 38.460 0.042 0.000 1.228 145 Y HN 0.364 nan 8.280 nan 0.000 0.451 146 L N 2.753 124.096 121.223 0.201 0.000 2.431 146 L HA 0.831 5.173 4.340 0.004 0.000 0.266 146 L C -1.023 175.902 176.870 0.092 0.000 0.978 146 L CA -0.347 54.547 54.840 0.090 0.000 0.822 146 L CB 2.208 44.362 42.059 0.157 0.000 1.310 146 L HN 0.831 nan 8.230 nan 0.000 0.409 147 S N 1.780 117.466 115.700 -0.024 0.000 2.533 147 S HA 0.549 5.022 4.470 0.004 0.000 0.271 147 S C -1.563 173.159 174.600 0.204 0.000 1.143 147 S CA -0.731 57.541 58.200 0.119 0.000 0.891 147 S CB 1.629 64.902 63.200 0.123 0.000 1.105 147 S HN 0.496 nan 8.310 nan 0.000 0.468 148 Y N 2.001 122.413 120.300 0.187 0.000 2.326 148 Y HA 0.695 5.248 4.550 0.004 0.000 0.329 148 Y C -1.732 174.241 175.900 0.120 0.000 0.973 148 Y CA -0.806 57.446 58.100 0.254 0.000 1.162 148 Y CB 1.425 40.061 38.460 0.294 0.000 1.147 148 Y HN 0.715 nan 8.280 nan 0.000 0.456 149 V N 6.147 125.792 119.914 -0.448 0.000 2.444 149 V HA 0.275 4.398 4.120 0.004 0.000 0.294 149 V C -1.107 174.587 176.094 -0.667 0.000 1.022 149 V CA -0.745 61.254 62.300 -0.503 0.000 0.850 149 V CB 1.666 33.314 31.823 -0.291 0.000 0.992 149 V HN 0.741 nan 8.190 nan 0.000 0.426 150 D N 7.175 127.165 120.400 -0.682 0.000 2.427 150 D HA 0.400 5.043 4.640 0.004 0.000 0.226 150 D C -1.567 174.482 176.300 -0.419 0.000 1.076 150 D CA -2.167 51.568 54.000 -0.442 0.000 0.849 150 D CB 2.475 43.133 40.800 -0.236 0.000 1.052 150 D HN 0.193 nan 8.370 nan 0.000 0.515 151 P HA -0.020 nan 4.420 nan 0.000 0.222 151 P C -0.138 177.139 177.300 -0.037 0.000 1.147 151 P CA 0.905 63.902 63.100 -0.172 0.000 0.790 151 P CB 0.458 32.190 31.700 0.053 0.000 0.780 152 D N -0.654 119.729 120.400 -0.029 0.000 2.351 152 D HA 0.018 4.661 4.640 0.004 0.000 0.235 152 D C 0.763 177.069 176.300 0.010 0.000 1.331 152 D CA -0.159 53.849 54.000 0.013 0.000 0.959 152 D CB 0.515 41.334 40.800 0.032 0.000 1.432 152 D HN -0.005 nan 8.370 nan 0.000 0.544 153 Q N 0.899 120.705 119.800 0.011 0.000 2.472 153 Q HA -0.046 4.297 4.340 0.004 0.000 0.208 153 Q C 1.013 177.034 176.000 0.035 0.000 0.958 153 Q CA 1.352 57.172 55.803 0.029 0.000 0.932 153 Q CB -0.056 28.705 28.738 0.038 0.000 1.007 153 Q HN 0.314 nan 8.270 nan 0.000 0.508 154 T N -2.669 111.904 114.554 0.032 0.000 3.043 154 T HA 0.163 4.516 4.350 0.004 0.000 0.263 154 T C 0.793 175.510 174.700 0.028 0.000 1.094 154 T CA -0.047 62.071 62.100 0.030 0.000 1.127 154 T CB -0.015 68.870 68.868 0.028 0.000 0.905 154 T HN 0.065 nan 8.240 nan 0.000 0.490 155 V N 2.738 122.670 119.914 0.029 0.000 2.686 155 V HA 0.206 4.329 4.120 0.004 0.000 0.295 155 V C 0.560 176.672 176.094 0.030 0.000 1.057 155 V CA -1.125 61.191 62.300 0.028 0.000 1.012 155 V CB 1.339 33.179 31.823 0.028 0.000 1.006 155 V HN 0.491 nan 8.190 nan 0.000 0.477 156 D N 2.435 122.851 120.400 0.027 0.000 2.583 156 D HA -0.064 4.579 4.640 0.004 0.000 0.232 156 D C 1.166 177.487 176.300 0.034 0.000 1.128 156 D CA 0.412 54.429 54.000 0.028 0.000 0.859 156 D CB 1.066 41.880 40.800 0.024 0.000 1.169 156 D HN 0.652 nan 8.370 nan 0.000 0.481 157 S N 2.100 117.824 115.700 0.041 0.000 2.419 157 S HA -0.197 4.275 4.470 0.004 0.000 0.233 157 S C 1.993 176.620 174.600 0.046 0.000 1.016 157 S CA 1.027 59.258 58.200 0.052 0.000 0.974 157 S CB -0.165 63.075 63.200 0.067 0.000 0.786 157 S HN 0.654 nan 8.310 nan 0.000 0.492 158 S N 1.740 117.462 115.700 0.036 0.000 2.507 158 S HA 0.086 4.559 4.470 0.004 0.000 0.235 158 S C 1.486 176.104 174.600 0.030 0.000 0.988 158 S CA 0.490 58.709 58.200 0.031 0.000 0.944 158 S CB -0.595 62.619 63.200 0.025 0.000 0.762 158 S HN 0.545 nan 8.310 nan 0.000 0.526 159 L N 1.292 122.534 121.223 0.030 0.000 2.513 159 L HA 0.340 4.683 4.340 0.004 0.000 0.222 159 L C 0.663 177.552 176.870 0.032 0.000 1.096 159 L CA -0.101 54.756 54.840 0.028 0.000 0.857 159 L CB 0.038 42.112 42.059 0.026 0.000 1.026 159 L HN 0.360 nan 8.230 nan 0.000 0.469 160 V N -3.881 116.055 119.914 0.037 0.000 2.919 160 V HA 0.549 4.671 4.120 0.004 0.000 0.316 160 V C -0.096 176.024 176.094 0.044 0.000 1.077 160 V CA -0.459 61.865 62.300 0.040 0.000 0.977 160 V CB 1.650 33.496 31.823 0.038 0.000 1.039 160 V HN -0.053 nan 8.190 nan 0.000 0.441 161 T N 3.017 117.600 114.554 0.048 0.000 2.743 161 T HA 0.499 4.852 4.350 0.004 0.000 0.292 161 T C -0.361 174.371 174.700 0.053 0.000 0.972 161 T CA -0.087 62.042 62.100 0.048 0.000 0.967 161 T CB 0.679 69.568 68.868 0.036 0.000 0.926 161 T HN 0.900 nan 8.240 nan 0.000 0.459 162 E N 2.078 122.306 120.200 0.047 0.000 2.313 162 E HA 0.295 4.648 4.350 0.004 0.000 0.272 162 E C 0.096 176.721 176.600 0.041 0.000 1.038 162 E CA -0.558 55.837 56.400 -0.007 0.000 0.863 162 E CB 0.964 30.635 29.700 -0.048 0.000 1.060 162 E HN 0.570 nan 8.360 nan 0.000 0.402 163 E N 2.467 122.684 120.200 0.028 0.000 2.175 163 E HA 0.316 4.668 4.350 0.004 0.000 0.278 163 E C -1.450 175.257 176.600 0.179 0.000 0.969 163 E CA -0.569 55.888 56.400 0.095 0.000 0.796 163 E CB 0.653 30.444 29.700 0.150 0.000 1.104 163 E HN 0.380 nan 8.360 nan 0.000 0.395 164 F N 3.033 123.017 119.950 0.056 0.000 2.540 164 F HA 0.685 5.214 4.527 0.004 0.000 0.317 164 F C -0.611 175.248 175.800 0.098 0.000 1.104 164 F CA -0.342 57.739 58.000 0.136 0.000 0.913 164 F CB 2.020 41.139 39.000 0.199 0.000 1.170 164 F HN 0.458 nan 8.300 nan 0.000 0.450 165 G N 5.399 113.769 108.800 -0.717 0.000 2.620 165 G HA2 0.676 4.639 3.960 0.004 0.000 0.301 165 G HA3 0.676 4.639 3.960 0.004 0.000 0.301 165 G C -2.018 172.567 174.900 -0.524 0.000 1.347 165 G CA -0.866 43.968 45.100 -0.443 0.000 0.971 165 G HN 0.757 nan 8.290 nan 0.000 0.488 166 I N -0.752 119.725 120.570 -0.156 0.000 2.865 166 I HA 0.945 5.118 4.170 0.004 0.000 0.302 166 I C -0.043 176.151 176.117 0.130 0.000 1.140 166 I CA -1.376 59.918 61.300 -0.011 0.000 1.021 166 I CB 2.253 40.307 38.000 0.089 0.000 1.233 166 I HN 0.851 nan 8.210 nan 0.000 0.427 167 A N 2.600 125.534 122.820 0.190 0.000 2.606 167 A HA 1.029 5.352 4.320 0.004 0.000 0.293 167 A C -1.436 176.345 177.584 0.328 0.000 1.082 167 A CA -0.231 51.939 52.037 0.222 0.000 0.685 167 A CB 1.686 20.741 19.000 0.093 0.000 1.284 167 A HN 1.658 nan 8.150 nan 0.000 0.408 168 A N 0.899 123.879 122.820 0.266 0.000 2.572 168 A HA 0.863 5.185 4.320 0.004 0.000 0.295 168 A C -1.380 176.350 177.584 0.243 0.000 1.072 168 A CA 0.046 52.239 52.037 0.261 0.000 0.691 168 A CB 1.487 20.582 19.000 0.158 0.000 1.291 168 A HN 1.439 nan 8.150 nan 0.000 0.404 169 D N -1.053 119.505 120.400 0.262 0.000 2.559 169 D HA 0.701 5.343 4.640 0.004 0.000 0.250 169 D C -0.909 175.552 176.300 0.268 0.000 1.135 169 D CA -0.342 53.798 54.000 0.233 0.000 0.955 169 D CB 1.151 42.076 40.800 0.208 0.000 1.442 169 D HN 0.836 nan 8.370 nan 0.000 0.471 170 W N 0.500 121.821 121.300 0.035 0.000 3.363 170 W HA 0.624 5.286 4.660 0.003 0.000 0.306 170 W C -2.091 174.437 176.519 0.014 0.000 1.253 170 W CA -0.548 56.804 57.345 0.010 0.000 1.195 170 W CB 1.945 31.404 29.460 -0.001 0.000 1.366 170 W HN 0.508 nan 8.180 nan 0.000 0.551 171 S N 3.832 118.772 115.700 -1.266 0.000 2.566 171 S HA 0.424 4.897 4.470 0.004 0.000 0.273 171 S C -0.448 173.371 174.600 -1.301 0.000 1.157 171 S CA -0.534 56.944 58.200 -1.202 0.000 0.938 171 S CB 0.536 63.438 63.200 -0.496 0.000 1.087 171 S HN 0.666 nan 8.310 nan 0.000 0.474 172 N N 2.677 120.692 118.700 -1.142 0.000 2.868 172 N HA 0.386 5.129 4.740 0.004 0.000 0.301 172 N C 0.194 175.526 175.510 -0.296 0.000 1.364 172 N CA 0.035 52.796 53.050 -0.482 0.000 0.767 172 N CB -0.192 38.195 38.487 -0.167 0.000 1.120 172 N HN 0.502 nan 8.380 nan 0.000 0.470 173 D N -1.011 119.293 120.400 -0.160 0.000 2.366 173 D HA 0.113 4.756 4.640 0.004 0.000 0.205 173 D C 1.209 177.432 176.300 -0.129 0.000 1.022 173 D CA 0.709 54.627 54.000 -0.136 0.000 0.868 173 D CB 0.411 41.156 40.800 -0.092 0.000 0.953 173 D HN 0.539 nan 8.370 nan 0.000 0.514 174 M N -0.762 118.786 119.600 -0.088 0.000 2.564 174 M HA 0.282 4.765 4.480 0.004 0.000 0.254 174 M C 0.517 176.842 176.300 0.041 0.000 1.299 174 M CA 0.215 55.482 55.300 -0.055 0.000 1.143 174 M CB 0.896 33.520 32.600 0.041 0.000 1.427 174 M HN -0.272 nan 8.290 nan 0.000 0.538 175 I N 1.359 121.964 120.570 0.059 0.000 2.460 175 I HA 0.369 4.542 4.170 0.004 0.000 0.298 175 I C -0.369 175.702 176.117 -0.076 0.000 0.989 175 I CA -0.378 60.991 61.300 0.116 0.000 1.173 175 I CB 2.026 40.152 38.000 0.210 0.000 1.338 175 I HN 0.034 nan 8.210 nan 0.000 0.456 176 S N 5.601 121.308 115.700 0.013 0.000 2.521 176 S HA 0.774 5.247 4.470 0.004 0.000 0.295 176 S C -0.724 173.943 174.600 0.110 0.000 1.098 176 S CA -0.583 57.607 58.200 -0.017 0.000 0.999 176 S CB 1.356 64.555 63.200 -0.001 0.000 1.034 176 S HN 0.320 nan 8.310 nan 0.000 0.483 177 L N 2.075 123.406 121.223 0.181 0.000 2.370 177 L HA 0.974 5.316 4.340 0.004 0.000 0.266 177 L C -0.370 176.577 176.870 0.128 0.000 1.002 177 L CA -0.623 54.318 54.840 0.167 0.000 0.818 177 L CB 2.006 44.211 42.059 0.244 0.000 1.325 177 L HN 0.759 nan 8.230 nan 0.000 0.418 178 A N 1.808 124.637 122.820 0.016 0.000 2.604 178 A HA 0.981 5.303 4.320 0.004 0.000 0.295 178 A C -1.651 175.829 177.584 -0.173 0.000 1.067 178 A CA -0.167 51.889 52.037 0.031 0.000 0.683 178 A CB 1.983 21.085 19.000 0.169 0.000 1.281 178 A HN 0.884 nan 8.150 nan 0.000 0.407 179 A N -0.140 122.660 122.820 -0.033 0.000 2.574 179 A HA 1.029 5.352 4.320 0.004 0.000 0.297 179 A C -0.503 177.173 177.584 0.153 0.000 1.062 179 A CA 0.112 52.108 52.037 -0.069 0.000 0.686 179 A CB 1.200 20.183 19.000 -0.029 0.000 1.285 179 A HN 2.685 nan 8.150 nan 0.000 0.403 180 A N 0.238 123.214 122.820 0.260 0.000 2.594 180 A HA 0.879 5.201 4.320 0.004 0.000 0.291 180 A C -1.769 176.085 177.584 0.449 0.000 1.105 180 A CA -0.467 51.747 52.037 0.296 0.000 0.694 180 A CB 1.373 20.462 19.000 0.149 0.000 1.291 180 A HN 2.055 nan 8.150 nan 0.000 0.410 181 Y N -0.023 120.429 120.300 0.252 0.000 2.442 181 Y HA 0.610 5.163 4.550 0.004 0.000 0.330 181 Y C -0.920 175.056 175.900 0.126 0.000 1.100 181 Y CA -0.086 58.140 58.100 0.210 0.000 1.034 181 Y CB 2.120 40.679 38.460 0.164 0.000 1.285 181 Y HN 0.746 nan 8.280 nan 0.000 0.440 182 T N 4.024 118.178 114.554 -0.666 0.000 2.916 182 T HA 0.497 4.850 4.350 0.004 0.000 0.298 182 T C -0.840 173.480 174.700 -0.634 0.000 1.031 182 T CA -0.801 60.999 62.100 -0.499 0.000 0.993 182 T CB 1.445 70.089 68.868 -0.373 0.000 1.045 182 T HN 0.641 nan 8.240 nan 0.000 0.454 183 T N -0.298 114.069 114.554 -0.312 0.000 2.859 183 T HA 0.535 4.887 4.350 0.004 0.000 0.281 183 T C -0.527 174.125 174.700 -0.079 0.000 1.005 183 T CA -0.785 61.218 62.100 -0.162 0.000 1.025 183 T CB 0.711 69.616 68.868 0.061 0.000 0.977 183 T HN 0.607 nan 8.240 nan 0.000 0.458 184 D N -0.047 120.303 120.400 -0.084 0.000 2.697 184 D HA -0.131 4.511 4.640 0.004 0.000 0.238 184 D C 0.387 176.595 176.300 -0.153 0.000 1.152 184 D CA 0.932 54.884 54.000 -0.079 0.000 0.666 184 D CB -1.579 39.211 40.800 -0.016 0.000 1.037 184 D HN 1.102 nan 8.370 nan 0.000 0.423 185 A N -0.334 122.355 122.820 -0.219 0.000 2.440 185 A HA 0.537 4.860 4.320 0.004 0.000 0.251 185 A C 1.771 179.097 177.584 -0.430 0.000 1.089 185 A CA 0.789 52.647 52.037 -0.297 0.000 0.779 185 A CB 0.561 19.373 19.000 -0.313 0.000 1.022 185 A HN 1.213 nan 8.150 nan 0.000 0.492 186 G N 0.825 109.117 108.800 -0.847 0.000 2.166 186 G HA2 0.112 4.075 3.960 0.004 0.000 0.260 186 G HA3 0.112 4.075 3.960 0.004 0.000 0.260 186 G C 1.663 176.007 174.900 -0.927 0.000 0.986 186 G CA 1.104 45.399 45.100 -1.341 0.000 0.683 186 G HN 2.793 nan 8.290 nan 0.000 0.527 187 G N -1.276 107.220 108.800 -0.507 0.000 2.189 187 G HA2 -0.276 3.687 3.960 0.004 0.000 0.267 187 G HA3 -0.276 3.687 3.960 0.004 0.000 0.267 187 G C 0.420 175.273 174.900 -0.077 0.000 0.975 187 G CA 0.558 45.605 45.100 -0.088 0.000 0.644 187 G HN 1.430 nan 8.290 nan 0.000 0.537 188 I N 1.583 122.069 120.570 -0.141 0.000 2.436 188 I HA 0.259 4.432 4.170 0.004 0.000 0.289 188 I C 1.113 177.188 176.117 -0.071 0.000 1.083 188 I CA -0.512 60.731 61.300 -0.094 0.000 1.372 188 I CB 1.210 39.140 38.000 -0.117 0.000 1.408 188 I HN -0.066 nan 8.210 nan 0.000 0.516 189 V N 7.287 127.180 119.914 -0.036 0.000 2.540 189 V HA -0.032 4.090 4.120 0.004 0.000 0.297 189 V C 0.665 176.746 176.094 -0.021 0.000 1.024 189 V CA 0.589 62.878 62.300 -0.019 0.000 1.105 189 V CB 0.305 32.127 31.823 -0.002 0.000 0.938 189 V HN 0.942 nan 8.190 nan 0.000 0.482 190 D N 2.307 122.698 120.400 -0.015 0.000 2.876 190 D HA -0.165 4.477 4.640 0.004 0.000 0.196 190 D C 0.572 176.855 176.300 -0.027 0.000 1.014 190 D CA 1.144 55.139 54.000 -0.007 0.000 1.012 190 D CB -1.050 39.751 40.800 0.002 0.000 1.080 190 D HN 0.761 nan 8.370 nan 0.000 0.438 191 N N 1.959 120.622 118.700 -0.061 0.000 2.895 191 N HA 0.086 4.828 4.740 0.004 0.000 0.277 191 N C -1.299 174.133 175.510 -0.130 0.000 1.185 191 N CA 0.151 53.144 53.050 -0.094 0.000 1.106 191 N CB 0.157 38.571 38.487 -0.121 0.000 1.422 191 N HN -0.030 nan 8.380 nan 0.000 0.521 192 D N 2.202 122.544 120.400 -0.096 0.000 2.249 192 D HA 0.273 4.915 4.640 0.004 0.000 0.246 192 D C 0.516 176.720 176.300 -0.161 0.000 1.114 192 D CA -0.167 53.741 54.000 -0.153 0.000 0.854 192 D CB 1.265 42.065 40.800 -0.000 0.000 1.132 192 D HN 0.525 nan 8.370 nan 0.000 0.461 193 I N -1.843 118.537 120.570 -0.318 0.000 2.892 193 I HA 0.898 5.070 4.170 0.004 0.000 0.306 193 I C -1.135 174.939 176.117 -0.072 0.000 1.078 193 I CA -1.082 60.075 61.300 -0.240 0.000 1.032 193 I CB 2.382 40.103 38.000 -0.466 0.000 1.229 193 I HN 0.338 nan 8.210 nan 0.000 0.435 194 A N 3.551 126.491 122.820 0.200 0.000 2.587 194 A HA 0.889 5.212 4.320 0.004 0.000 0.293 194 A C -1.800 176.103 177.584 0.532 0.000 1.087 194 A CA -0.470 51.854 52.037 0.478 0.000 0.692 194 A CB 1.843 21.177 19.000 0.557 0.000 1.291 194 A HN 0.910 nan 8.150 nan 0.000 0.407 195 F N 0.764 120.912 119.950 0.330 0.000 2.615 195 F HA 0.670 5.199 4.527 0.004 0.000 0.312 195 F C -1.866 174.006 175.800 0.119 0.000 1.119 195 F CA -0.671 57.381 58.000 0.086 0.000 0.979 195 F CB 1.771 40.698 39.000 -0.121 0.000 1.266 195 F HN 0.494 nan 8.300 nan 0.000 0.444 196 V N 4.519 124.032 119.914 -0.668 0.000 2.638 196 V HA 0.935 5.057 4.120 0.004 0.000 0.306 196 V C -0.226 175.227 176.094 -1.069 0.000 1.052 196 V CA -0.244 61.586 62.300 -0.784 0.000 0.885 196 V CB 1.583 33.288 31.823 -0.196 0.000 0.999 196 V HN 1.164 nan 8.190 nan 0.000 0.424 197 G N 2.408 110.639 108.800 -0.948 0.000 2.690 197 G HA2 0.908 4.870 3.960 0.004 0.000 0.293 197 G HA3 0.908 4.870 3.960 0.004 0.000 0.293 197 G C -1.391 173.438 174.900 -0.118 0.000 1.399 197 G CA -0.143 44.729 45.100 -0.380 0.000 0.890 197 G HN 1.210 nan 8.290 nan 0.000 0.485 198 A N -0.764 122.062 122.820 0.012 0.000 2.549 198 A HA 1.021 5.343 4.320 0.004 0.000 0.297 198 A C -0.534 177.104 177.584 0.089 0.000 1.061 198 A CA 0.001 52.069 52.037 0.051 0.000 0.690 198 A CB 1.665 20.677 19.000 0.021 0.000 1.287 198 A HN 2.368 nan 8.150 nan 0.000 0.402 199 A N 0.409 123.298 122.820 0.115 0.000 2.475 199 A HA 0.749 5.072 4.320 0.004 0.000 0.301 199 A C -1.903 175.797 177.584 0.194 0.000 1.059 199 A CA -0.415 51.698 52.037 0.126 0.000 0.710 199 A CB 1.324 20.416 19.000 0.154 0.000 1.288 199 A HN 1.750 nan 8.150 nan 0.000 0.408 200 Y N 1.372 121.698 120.300 0.044 0.000 2.326 200 Y HA 0.585 5.136 4.550 0.003 0.000 0.329 200 Y C -0.204 175.768 175.900 0.119 0.000 0.973 200 Y CA -1.281 56.864 58.100 0.075 0.000 1.162 200 Y CB 1.662 40.173 38.460 0.085 0.000 1.147 200 Y HN 0.571 nan 8.280 nan 0.000 0.456 201 K N 6.906 127.054 120.400 -0.420 0.000 2.171 201 K HA 0.166 4.489 4.320 0.004 0.000 0.274 201 K C -0.479 175.648 176.600 -0.787 0.000 1.110 201 K CA -0.272 55.734 56.287 -0.467 0.000 0.952 201 K CB -1.018 31.291 32.500 -0.318 0.000 1.309 201 K HN 0.560 nan 8.250 nan 0.000 0.414 202 F N 1.654 121.200 119.950 -0.674 0.000 2.696 202 F HA 0.415 4.943 4.527 0.002 0.000 0.296 202 F C -0.213 175.462 175.800 -0.208 0.000 1.181 202 F CA -0.691 57.003 58.000 -0.510 0.000 1.411 202 F CB -0.480 38.438 39.000 -0.137 0.000 1.014 202 F HN 0.485 nan 8.300 nan 0.000 0.512 203 N N -1.002 117.406 118.700 -0.487 0.000 3.856 203 N HA -0.052 4.691 4.740 0.004 0.000 0.237 203 N C -0.396 174.890 175.510 -0.374 0.000 1.351 203 N CA -0.384 52.448 53.050 -0.363 0.000 0.805 203 N CB 0.306 38.488 38.487 -0.508 0.000 1.487 203 N HN -0.019 nan 8.380 nan 0.000 0.431 204 D N 0.157 120.379 120.400 -0.296 0.000 2.183 204 D HA 0.006 4.649 4.640 0.004 0.000 0.203 204 D C 1.176 177.236 176.300 -0.400 0.000 0.969 204 D CA 1.087 54.918 54.000 -0.281 0.000 0.842 204 D CB 0.030 40.710 40.800 -0.199 0.000 0.957 204 D HN 0.446 nan 8.370 nan 0.000 0.484 205 A N 0.494 122.978 122.820 -0.560 0.000 2.169 205 A HA 0.418 4.740 4.320 0.004 0.000 0.210 205 A C 1.183 178.027 177.584 -1.234 0.000 1.168 205 A CA 0.572 52.072 52.037 -0.894 0.000 0.813 205 A CB 0.476 18.783 19.000 -1.154 0.000 0.861 205 A HN 0.196 nan 8.150 nan 0.000 0.481 206 G N -1.453 106.704 108.800 -1.071 0.000 2.571 206 G HA2 0.506 4.468 3.960 0.004 0.000 0.304 206 G HA3 0.506 4.468 3.960 0.004 0.000 0.304 206 G C -0.926 173.405 174.900 -0.949 0.000 1.314 206 G CA 0.202 44.716 45.100 -0.976 0.000 0.975 206 G HN 0.367 nan 8.290 nan 0.000 0.485 207 T N -0.920 113.461 114.554 -0.287 0.000 2.933 207 T HA 0.655 5.007 4.350 0.004 0.000 0.305 207 T C -0.713 174.138 174.700 0.251 0.000 1.092 207 T CA -0.304 61.788 62.100 -0.014 0.000 1.008 207 T CB 1.474 70.311 68.868 -0.052 0.000 1.102 207 T HN 1.466 nan 8.240 nan 0.000 0.469 208 V N 1.284 121.343 119.914 0.241 0.000 2.680 208 V HA 1.078 5.200 4.120 0.004 0.000 0.309 208 V C 0.226 176.201 176.094 -0.199 0.000 1.052 208 V CA -0.296 62.031 62.300 0.045 0.000 0.908 208 V CB 1.277 33.145 31.823 0.075 0.000 1.001 208 V HN 1.321 nan 8.190 nan 0.000 0.431 209 G N 1.925 110.313 108.800 -0.688 0.000 2.682 209 G HA2 0.754 4.717 3.960 0.004 0.000 0.290 209 G HA3 0.754 4.717 3.960 0.004 0.000 0.290 209 G C -2.048 172.592 174.900 -0.433 0.000 1.425 209 G CA -0.753 43.996 45.100 -0.585 0.000 0.807 209 G HN 1.441 nan 8.290 nan 0.000 0.482 210 L N 0.102 121.287 121.223 -0.063 0.000 2.505 210 L HA 0.683 5.026 4.340 0.004 0.000 0.266 210 L C -1.748 175.216 176.870 0.157 0.000 0.954 210 L CA -0.744 54.139 54.840 0.072 0.000 0.852 210 L CB 2.287 44.367 42.059 0.034 0.000 1.282 210 L HN 0.428 nan 8.230 nan 0.000 0.403 211 N N 3.810 122.647 118.700 0.228 0.000 2.284 211 N HA 0.475 5.217 4.740 0.004 0.000 0.300 211 N C -1.990 173.567 175.510 0.078 0.000 1.047 211 N CA -0.215 52.931 53.050 0.159 0.000 0.821 211 N CB 2.090 40.725 38.487 0.246 0.000 1.337 211 N HN 0.730 nan 8.380 nan 0.000 0.482 212 W N 3.261 124.407 121.300 -0.256 0.000 2.736 212 W HA 0.601 5.263 4.660 0.004 0.000 0.335 212 W C -1.689 174.672 176.519 -0.265 0.000 1.059 212 W CA -0.496 56.756 57.345 -0.155 0.000 1.226 212 W CB 0.818 30.226 29.460 -0.088 0.000 1.416 212 W HN 0.395 nan 8.180 nan 0.000 0.505 213 Y N 3.940 123.664 120.300 -0.961 0.000 2.504 213 Y HA 0.224 4.777 4.550 0.005 0.000 0.344 213 Y C -0.519 174.598 175.900 -1.304 0.000 1.023 213 Y CA -1.175 56.371 58.100 -0.923 0.000 1.020 213 Y CB 1.900 40.192 38.460 -0.280 0.000 1.282 213 Y HN 0.301 nan 8.280 nan 0.000 0.454 214 D N 1.894 121.813 120.400 -0.801 0.000 2.412 214 D HA 0.143 4.785 4.640 0.004 0.000 0.224 214 D C -0.235 175.986 176.300 -0.132 0.000 1.093 214 D CA -0.119 53.674 54.000 -0.345 0.000 0.850 214 D CB 0.651 41.410 40.800 -0.068 0.000 1.046 214 D HN 0.570 nan 8.370 nan 0.000 0.507 215 N N 2.890 121.521 118.700 -0.116 0.000 2.421 215 N HA 0.088 4.830 4.740 0.004 0.000 0.201 215 N C 1.365 176.816 175.510 -0.099 0.000 1.198 215 N CA 0.477 53.462 53.050 -0.108 0.000 0.838 215 N CB 0.336 38.757 38.487 -0.111 0.000 1.011 215 N HN 0.750 nan 8.380 nan 0.000 0.463 216 G N 1.526 110.280 108.800 -0.076 0.000 2.660 216 G HA2 -0.337 3.625 3.960 0.004 0.000 0.321 216 G HA3 -0.337 3.625 3.960 0.004 0.000 0.321 216 G C 0.608 175.477 174.900 -0.053 0.000 1.246 216 G CA 0.280 45.341 45.100 -0.065 0.000 1.000 216 G HN 0.356 nan 8.290 nan 0.000 0.550 217 L N 1.806 122.991 121.223 -0.064 0.000 2.612 217 L HA 0.317 4.659 4.340 0.004 0.000 0.230 217 L C 1.894 178.730 176.870 -0.058 0.000 1.140 217 L CA 0.556 55.366 54.840 -0.051 0.000 0.896 217 L CB -0.172 41.856 42.059 -0.051 0.000 1.065 217 L HN 0.575 nan 8.230 nan 0.000 0.447 218 S N -0.205 115.453 115.700 -0.070 0.000 2.576 218 S HA -0.037 4.436 4.470 0.004 0.000 0.272 218 S C 1.550 176.111 174.600 -0.064 0.000 1.352 218 S CA 0.167 58.323 58.200 -0.072 0.000 1.021 218 S CB 0.999 64.148 63.200 -0.085 0.000 0.887 218 S HN 0.413 nan 8.310 nan 0.000 0.542 219 T N 0.827 115.343 114.554 -0.063 0.000 3.160 219 T HA 0.212 4.565 4.350 0.004 0.000 0.257 219 T C 1.664 176.314 174.700 -0.082 0.000 1.147 219 T CA 0.520 62.584 62.100 -0.060 0.000 1.064 219 T CB -0.448 68.390 68.868 -0.050 0.000 0.949 219 T HN 0.734 nan 8.240 nan 0.000 0.526 220 A N 1.496 124.251 122.820 -0.108 0.000 1.929 220 A HA 0.518 4.841 4.320 0.004 0.000 0.216 220 A C 1.761 179.264 177.584 -0.134 0.000 1.176 220 A CA 0.875 52.813 52.037 -0.166 0.000 0.628 220 A CB -1.247 17.630 19.000 -0.205 0.000 0.816 220 A HN 1.379 nan 8.150 nan 0.000 0.444 221 G N -0.683 108.064 108.800 -0.089 0.000 2.693 221 G HA2 -0.121 3.842 3.960 0.004 0.000 0.226 221 G HA3 -0.121 3.842 3.960 0.004 0.000 0.226 221 G C -0.931 173.933 174.900 -0.060 0.000 1.354 221 G CA -0.127 44.942 45.100 -0.052 0.000 0.873 221 G HN 0.415 nan 8.290 nan 0.000 0.562 222 D N 0.714 121.106 120.400 -0.013 0.000 2.378 222 D HA 0.491 5.133 4.640 0.004 0.000 0.238 222 D C 0.787 177.071 176.300 -0.026 0.000 1.180 222 D CA 0.866 54.850 54.000 -0.026 0.000 0.895 222 D CB 0.970 41.861 40.800 0.152 0.000 1.192 222 D HN 0.733 nan 8.370 nan 0.000 0.438 223 Q N -0.044 119.713 119.800 -0.072 0.000 2.418 223 Q HA 0.592 4.934 4.340 0.004 0.000 0.282 223 Q C -2.099 173.996 176.000 0.158 0.000 1.044 223 Q CA -0.779 55.062 55.803 0.064 0.000 0.813 223 Q CB 1.943 30.733 28.738 0.087 0.000 1.428 223 Q HN 0.248 nan 8.270 nan 0.000 0.402 224 V N 1.842 121.903 119.914 0.244 0.000 2.709 224 V HA 0.600 4.723 4.120 0.004 0.000 0.308 224 V C -0.935 175.346 176.094 0.312 0.000 1.062 224 V CA -0.404 62.068 62.300 0.286 0.000 0.901 224 V CB 2.345 34.333 31.823 0.276 0.000 1.003 224 V HN 0.901 nan 8.190 nan 0.000 0.425 225 T N 5.576 120.323 114.554 0.321 0.000 2.848 225 T HA 0.656 5.008 4.350 0.004 0.000 0.285 225 T C -1.039 173.863 174.700 0.337 0.000 0.995 225 T CA -0.336 61.978 62.100 0.356 0.000 0.970 225 T CB 1.532 70.620 68.868 0.366 0.000 0.976 225 T HN 0.489 nan 8.240 nan 0.000 0.441 226 L N 4.881 126.304 121.223 0.333 0.000 2.356 226 L HA 0.794 5.137 4.340 0.004 0.000 0.277 226 L C -1.385 175.671 176.870 0.310 0.000 0.996 226 L CA -0.660 54.315 54.840 0.225 0.000 0.822 226 L CB 0.679 42.830 42.059 0.153 0.000 1.256 226 L HN 0.732 nan 8.230 nan 0.000 0.413 227 Y N 2.335 122.760 120.300 0.208 0.000 2.638 227 Y HA 1.023 5.575 4.550 0.005 0.000 0.339 227 Y C -0.287 175.731 175.900 0.198 0.000 1.084 227 Y CA -0.975 57.265 58.100 0.232 0.000 1.068 227 Y CB 1.577 40.175 38.460 0.228 0.000 1.294 227 Y HN 0.811 nan 8.280 nan 0.000 0.480 228 G N 1.156 110.168 108.800 0.353 0.000 2.703 228 G HA2 0.491 4.453 3.960 0.004 0.000 0.294 228 G HA3 0.491 4.453 3.960 0.004 0.000 0.294 228 G C -2.370 172.725 174.900 0.324 0.000 1.451 228 G CA -1.276 43.989 45.100 0.274 0.000 0.869 228 G HN 1.145 nan 8.290 nan 0.000 0.516 229 N N -0.790 118.080 118.700 0.284 0.000 2.416 229 N HA 0.630 5.373 4.740 0.004 0.000 0.276 229 N C -2.173 173.443 175.510 0.177 0.000 1.261 229 N CA -0.798 52.381 53.050 0.216 0.000 0.790 229 N CB 3.040 41.624 38.487 0.162 0.000 1.554 229 N HN 0.498 nan 8.380 nan 0.000 0.481 230 Y N 0.018 120.289 120.300 -0.047 0.000 2.399 230 Y HA 0.530 5.082 4.550 0.003 0.000 0.327 230 Y C -1.478 174.188 175.900 -0.391 0.000 1.111 230 Y CA -0.522 57.429 58.100 -0.247 0.000 1.047 230 Y CB 1.891 40.219 38.460 -0.220 0.000 1.259 230 Y HN 0.905 nan 8.280 nan 0.000 0.434 231 A N 5.324 127.697 122.820 -0.746 0.000 2.274 231 A HA 0.680 5.002 4.320 0.004 0.000 0.309 231 A C -1.712 175.522 177.584 -0.584 0.000 1.226 231 A CA -0.311 51.432 52.037 -0.490 0.000 0.853 231 A CB -0.133 18.653 19.000 -0.356 0.000 1.146 231 A HN 0.586 nan 8.150 nan 0.000 0.518 232 F N 3.031 123.012 119.950 0.052 0.000 2.366 232 F HA 0.518 5.047 4.527 0.004 0.000 0.357 232 F C 1.261 177.093 175.800 0.053 0.000 1.107 232 F CA 0.502 58.555 58.000 0.089 0.000 1.208 232 F CB 0.766 39.849 39.000 0.138 0.000 1.464 232 F HN 1.109 nan 8.300 nan 0.000 0.501 233 G N 1.906 110.782 108.800 0.127 0.000 2.559 233 G HA2 -0.273 3.690 3.960 0.004 0.000 0.282 233 G HA3 -0.273 3.690 3.960 0.004 0.000 0.282 233 G C 1.023 175.940 174.900 0.028 0.000 1.177 233 G CA 0.183 45.330 45.100 0.079 0.000 0.960 233 G HN 0.861 nan 8.290 nan 0.000 0.540 234 A N -0.175 122.668 122.820 0.039 0.000 2.308 234 A HA 0.602 4.925 4.320 0.004 0.000 0.217 234 A C 1.078 178.654 177.584 -0.015 0.000 1.216 234 A CA 1.864 53.848 52.037 -0.088 0.000 0.864 234 A CB 0.025 18.857 19.000 -0.280 0.000 0.902 234 A HN 1.128 nan 8.150 nan 0.000 0.499 235 T N 1.245 115.899 114.554 0.167 0.000 2.795 235 T HA 0.512 4.865 4.350 0.004 0.000 0.282 235 T C -0.420 174.416 174.700 0.226 0.000 0.980 235 T CA 0.003 62.263 62.100 0.267 0.000 1.012 235 T CB 1.384 70.467 68.868 0.359 0.000 0.936 235 T HN 0.139 nan 8.240 nan 0.000 0.457 236 T N 2.610 117.274 114.554 0.183 0.000 2.824 236 T HA 0.560 4.912 4.350 0.004 0.000 0.282 236 T C -0.362 174.458 174.700 0.200 0.000 0.993 236 T CA -0.567 61.615 62.100 0.137 0.000 0.967 236 T CB 1.460 70.357 68.868 0.048 0.000 0.960 236 T HN 0.308 nan 8.240 nan 0.000 0.441 237 V N 4.347 124.408 119.914 0.245 0.000 2.483 237 V HA 0.656 4.779 4.120 0.004 0.000 0.295 237 V C -0.147 176.078 176.094 0.217 0.000 1.035 237 V CA -0.850 61.606 62.300 0.261 0.000 0.896 237 V CB 1.612 33.655 31.823 0.366 0.000 0.986 237 V HN 0.806 nan 8.190 nan 0.000 0.447 238 R N 3.120 123.737 120.500 0.196 0.000 2.771 238 R HA 0.949 5.291 4.340 0.004 0.000 0.274 238 R C -1.048 175.379 176.300 0.212 0.000 0.987 238 R CA -0.794 55.432 56.100 0.210 0.000 0.908 238 R CB 2.383 32.800 30.300 0.195 0.000 1.213 238 R HN 0.793 nan 8.270 nan 0.000 0.468 239 A N 1.271 124.244 122.820 0.255 0.000 2.612 239 A HA 0.765 5.087 4.320 0.004 0.000 0.293 239 A C -1.971 175.813 177.584 0.334 0.000 1.075 239 A CA -0.856 51.307 52.037 0.210 0.000 0.680 239 A CB 1.655 20.735 19.000 0.132 0.000 1.279 239 A HN 0.823 nan 8.150 nan 0.000 0.411 240 Y N -1.544 118.887 120.300 0.219 0.000 2.604 240 Y HA 0.676 5.228 4.550 0.004 0.000 0.331 240 Y C -1.053 174.988 175.900 0.236 0.000 1.158 240 Y CA -1.273 56.975 58.100 0.247 0.000 1.056 240 Y CB 0.640 39.255 38.460 0.257 0.000 1.330 240 Y HN 1.262 nan 8.280 nan 0.000 0.457 241 V N -0.142 120.019 119.914 0.411 0.000 2.864 241 V HA 0.934 5.057 4.120 0.004 0.000 0.314 241 V C -0.438 175.944 176.094 0.481 0.000 1.073 241 V CA -0.589 61.921 62.300 0.350 0.000 0.956 241 V CB 1.404 33.364 31.823 0.228 0.000 1.023 241 V HN 1.027 nan 8.190 nan 0.000 0.435 242 S N 0.692 116.657 115.700 0.441 0.000 2.536 242 S HA 0.579 5.052 4.470 0.004 0.000 0.271 242 S C -1.722 173.183 174.600 0.508 0.000 1.134 242 S CA -0.603 57.877 58.200 0.468 0.000 0.897 242 S CB 1.771 65.286 63.200 0.525 0.000 1.094 242 S HN 0.976 nan 8.310 nan 0.000 0.473 243 D N 2.507 123.159 120.400 0.420 0.000 2.527 243 D HA 0.602 5.245 4.640 0.004 0.000 0.233 243 D C -0.500 175.885 176.300 0.142 0.000 1.063 243 D CA -0.314 53.882 54.000 0.326 0.000 0.880 243 D CB 1.968 42.893 40.800 0.208 0.000 1.457 243 D HN 0.666 nan 8.370 nan 0.000 0.475 244 I N -2.182 118.353 120.570 -0.058 0.000 3.002 244 I HA 0.423 4.595 4.170 0.004 0.000 0.310 244 I C 0.258 176.319 176.117 -0.093 0.000 1.087 244 I CA -0.791 60.390 61.300 -0.198 0.000 1.017 244 I CB 2.027 39.687 38.000 -0.567 0.000 1.226 244 I HN -0.021 nan 8.210 nan 0.000 0.443 245 D N 1.060 121.421 120.400 -0.064 0.000 2.183 245 D HA -0.042 4.600 4.640 0.004 0.000 0.203 245 D C 0.877 177.153 176.300 -0.041 0.000 0.969 245 D CA 0.777 54.764 54.000 -0.021 0.000 0.842 245 D CB 0.016 40.817 40.800 0.002 0.000 0.957 245 D HN 0.469 nan 8.370 nan 0.000 0.484 246 R N 1.112 121.563 120.500 -0.081 0.000 2.504 246 R HA 0.009 4.351 4.340 0.004 0.000 0.302 246 R C -0.168 176.111 176.300 -0.036 0.000 0.893 246 R CA -0.133 55.927 56.100 -0.067 0.000 1.138 246 R CB 0.182 30.423 30.300 -0.099 0.000 0.880 246 R HN -0.049 nan 8.270 nan 0.000 0.415 247 A N 3.633 126.442 122.820 -0.018 0.000 2.540 247 A HA 0.317 4.639 4.320 0.004 0.000 0.239 247 A C 1.473 179.057 177.584 -0.000 0.000 1.061 247 A CA 0.609 52.644 52.037 -0.003 0.000 0.758 247 A CB -0.072 18.928 19.000 -0.000 0.000 0.991 247 A HN 1.143 nan 8.150 nan 0.000 0.502 248 G N 0.739 109.545 108.800 0.011 0.000 2.184 248 G HA2 0.100 4.062 3.960 0.004 0.000 0.264 248 G HA3 0.100 4.062 3.960 0.004 0.000 0.264 248 G C 0.717 175.633 174.900 0.026 0.000 0.975 248 G CA 0.694 45.805 45.100 0.017 0.000 0.642 248 G HN 2.274 nan 8.290 nan 0.000 0.536 249 A N 0.050 122.885 122.820 0.024 0.000 2.466 249 A HA 0.492 4.815 4.320 0.004 0.000 0.238 249 A C 0.472 178.115 177.584 0.100 0.000 1.074 249 A CA 0.646 52.716 52.037 0.055 0.000 0.774 249 A CB 0.303 19.302 19.000 -0.002 0.000 1.015 249 A HN 0.335 nan 8.150 nan 0.000 0.498 250 D N 0.209 120.692 120.400 0.139 0.000 2.388 250 D HA 0.366 5.008 4.640 0.004 0.000 0.254 250 D C -0.003 176.423 176.300 0.211 0.000 1.111 250 D CA 0.211 54.285 54.000 0.124 0.000 0.993 250 D CB 0.823 41.652 40.800 0.048 0.000 1.118 250 D HN 0.481 nan 8.370 nan 0.000 0.502 251 T N 0.653 115.315 114.554 0.179 0.000 2.851 251 T HA 0.452 4.804 4.350 0.004 0.000 0.298 251 T C 0.175 174.929 174.700 0.090 0.000 0.977 251 T CA -0.481 61.752 62.100 0.221 0.000 1.126 251 T CB 0.900 69.898 68.868 0.218 0.000 0.916 251 T HN 0.374 nan 8.240 nan 0.000 0.529 252 A N 3.302 126.094 122.820 -0.046 0.000 2.293 252 A HA 0.797 5.119 4.320 0.004 0.000 0.302 252 A C -0.791 176.753 177.584 -0.066 0.000 1.119 252 A CA -0.694 51.101 52.037 -0.404 0.000 0.823 252 A CB 0.307 18.809 19.000 -0.829 0.000 1.097 252 A HN 0.917 nan 8.150 nan 0.000 0.491 253 Y N -1.898 118.292 120.300 -0.183 0.000 2.656 253 Y HA 0.747 5.299 4.550 0.004 0.000 0.334 253 Y C -0.232 175.304 175.900 -0.606 0.000 1.179 253 Y CA -0.849 56.988 58.100 -0.438 0.000 1.050 253 Y CB 0.745 39.061 38.460 -0.240 0.000 1.308 253 Y HN 1.159 nan 8.280 nan 0.000 0.456 254 G N 0.801 109.149 108.800 -0.754 0.000 2.742 254 G HA2 0.599 4.561 3.960 0.004 0.000 0.296 254 G HA3 0.599 4.561 3.960 0.004 0.000 0.296 254 G C -2.629 172.184 174.900 -0.144 0.000 1.436 254 G CA -0.860 43.997 45.100 -0.404 0.000 0.928 254 G HN 0.879 nan 8.290 nan 0.000 0.520 255 I N 0.848 121.434 120.570 0.026 0.000 2.533 255 I HA 0.867 5.039 4.170 0.004 0.000 0.290 255 I C 0.107 176.284 176.117 0.099 0.000 1.056 255 I CA -0.163 61.180 61.300 0.072 0.000 1.057 255 I CB 1.980 40.021 38.000 0.068 0.000 1.240 255 I HN 0.971 nan 8.210 nan 0.000 0.423 256 G N 4.778 113.651 108.800 0.122 0.000 2.682 256 G HA2 0.892 4.855 3.960 0.004 0.000 0.290 256 G HA3 0.892 4.855 3.960 0.004 0.000 0.290 256 G C -2.154 172.824 174.900 0.130 0.000 1.425 256 G CA -0.331 44.840 45.100 0.118 0.000 0.807 256 G HN 0.917 nan 8.290 nan 0.000 0.482 257 A N -0.009 122.885 122.820 0.123 0.000 2.475 257 A HA 0.787 5.109 4.320 0.004 0.000 0.301 257 A C -1.820 175.844 177.584 0.133 0.000 1.059 257 A CA -0.626 51.494 52.037 0.139 0.000 0.710 257 A CB 2.087 21.169 19.000 0.137 0.000 1.288 257 A HN 0.437 nan 8.150 nan 0.000 0.408 258 D N 0.376 120.861 120.400 0.142 0.000 2.498 258 D HA 0.472 5.115 4.640 0.004 0.000 0.247 258 D C -1.713 174.700 176.300 0.188 0.000 1.070 258 D CA 0.340 54.418 54.000 0.130 0.000 0.842 258 D CB 1.784 42.628 40.800 0.074 0.000 1.361 258 D HN 0.446 nan 8.370 nan 0.000 0.484 259 Y N 1.525 121.862 120.300 0.061 0.000 2.326 259 Y HA 0.264 4.817 4.550 0.004 0.000 0.331 259 Y C -0.416 175.539 175.900 0.093 0.000 0.962 259 Y CA -0.883 57.264 58.100 0.079 0.000 1.167 259 Y CB 1.444 39.951 38.460 0.079 0.000 1.148 259 Y HN 0.102 nan 8.280 nan 0.000 0.463 260 Q N 6.057 125.580 119.800 -0.461 0.000 2.513 260 Q HA 0.126 4.469 4.340 0.004 0.000 0.227 260 Q C 0.334 176.043 176.000 -0.484 0.000 1.257 260 Q CA 0.198 55.800 55.803 -0.336 0.000 0.915 260 Q CB -0.316 28.285 28.738 -0.228 0.000 1.507 260 Q HN 0.844 nan 8.270 nan 0.000 0.543 261 F N 2.330 122.060 119.950 -0.367 0.000 2.134 261 F HA 0.081 4.611 4.527 0.004 0.000 0.299 261 F C 0.293 176.045 175.800 -0.079 0.000 1.097 261 F CA 1.170 59.097 58.000 -0.122 0.000 1.264 261 F CB 0.257 39.337 39.000 0.133 0.000 1.001 261 F HN 0.494 nan 8.300 nan 0.000 0.479 262 A N -0.654 122.092 122.820 -0.125 0.000 2.586 262 A HA 0.304 4.626 4.320 0.004 0.000 0.290 262 A C -0.798 176.746 177.584 -0.066 0.000 1.086 262 A CA -0.757 51.163 52.037 -0.196 0.000 0.665 262 A CB 0.161 19.011 19.000 -0.249 0.000 1.279 262 A HN 0.102 nan 8.150 nan 0.000 0.423 263 E N -0.077 120.086 120.200 -0.061 0.000 2.465 263 E HA 0.317 4.669 4.350 0.004 0.000 0.260 263 E C 1.323 177.937 176.600 0.023 0.000 0.980 263 E CA 1.599 57.984 56.400 -0.026 0.000 0.927 263 E CB 0.176 29.863 29.700 -0.022 0.000 0.934 263 E HN 1.970 nan 8.360 nan 0.000 0.459 264 G N 2.692 111.508 108.800 0.027 0.000 2.212 264 G HA2 -0.275 3.688 3.960 0.004 0.000 0.266 264 G HA3 -0.275 3.688 3.960 0.004 0.000 0.266 264 G C 0.034 175.008 174.900 0.123 0.000 0.978 264 G CA 0.334 45.473 45.100 0.064 0.000 0.632 264 G HN 0.484 nan 8.290 nan 0.000 0.537 265 V N 0.509 120.504 119.914 0.135 0.000 2.409 265 V HA 0.702 4.825 4.120 0.004 0.000 0.291 265 V C 0.057 176.245 176.094 0.157 0.000 1.020 265 V CA -0.484 61.943 62.300 0.212 0.000 0.848 265 V CB 1.791 33.826 31.823 0.353 0.000 0.990 265 V HN 0.400 nan 8.190 nan 0.000 0.430 266 K N 3.857 124.324 120.400 0.112 0.000 2.541 266 K HA 0.701 5.023 4.320 0.004 0.000 0.250 266 K C -1.624 175.016 176.600 0.067 0.000 0.950 266 K CA -0.475 55.855 56.287 0.072 0.000 0.805 266 K CB 2.140 34.650 32.500 0.017 0.000 1.166 266 K HN 0.449 nan 8.250 nan 0.000 0.430 267 V N 3.349 123.327 119.914 0.106 0.000 2.370 267 V HA 0.462 4.584 4.120 0.004 0.000 0.279 267 V C -0.556 175.593 176.094 0.092 0.000 1.029 267 V CA -0.432 61.906 62.300 0.064 0.000 0.870 267 V CB 1.334 33.209 31.823 0.087 0.000 0.984 267 V HN 0.836 nan 8.190 nan 0.000 0.451 268 S N 2.429 118.170 115.700 0.070 0.000 2.599 268 S HA 0.951 5.424 4.470 0.004 0.000 0.287 268 S C 0.036 174.709 174.600 0.120 0.000 1.105 268 S CA -0.493 57.771 58.200 0.107 0.000 0.899 268 S CB 2.236 65.507 63.200 0.118 0.000 1.100 268 S HN 1.116 nan 8.310 nan 0.000 0.482 269 G N 0.442 109.312 108.800 0.117 0.000 2.692 269 G HA2 0.742 4.705 3.960 0.004 0.000 0.291 269 G HA3 0.742 4.705 3.960 0.004 0.000 0.291 269 G C -1.263 173.702 174.900 0.108 0.000 1.423 269 G CA -0.452 44.718 45.100 0.117 0.000 0.843 269 G HN 1.219 nan 8.290 nan 0.000 0.486 270 S N -1.851 113.913 115.700 0.106 0.000 2.595 270 S HA 0.710 5.182 4.470 0.004 0.000 0.270 270 S C -1.742 172.916 174.600 0.097 0.000 1.145 270 S CA -0.725 57.535 58.200 0.100 0.000 0.825 270 S CB 1.730 64.992 63.200 0.103 0.000 1.107 270 S HN 1.322 nan 8.310 nan 0.000 0.461 271 V N 1.698 121.669 119.914 0.094 0.000 2.525 271 V HA 0.595 4.717 4.120 0.004 0.000 0.299 271 V C -0.773 175.374 176.094 0.089 0.000 1.034 271 V CA -0.373 61.985 62.300 0.097 0.000 0.863 271 V CB 1.354 33.229 31.823 0.088 0.000 0.999 271 V HN 0.921 nan 8.190 nan 0.000 0.423 272 Q N 1.783 121.639 119.800 0.092 0.000 2.394 272 Q HA 0.699 5.042 4.340 0.004 0.000 0.273 272 Q C -0.921 175.079 176.000 -0.000 0.000 1.089 272 Q CA -0.614 55.234 55.803 0.075 0.000 0.812 272 Q CB 2.796 31.663 28.738 0.214 0.000 1.353 272 Q HN 0.643 nan 8.270 nan 0.000 0.438 273 S N 0.145 115.652 115.700 -0.320 0.000 2.605 273 S HA 0.690 5.163 4.470 0.004 0.000 0.308 273 S C -0.369 173.742 174.600 -0.815 0.000 1.113 273 S CA -0.441 57.421 58.200 -0.564 0.000 1.049 273 S CB 0.946 63.507 63.200 -1.066 0.000 1.001 273 S HN 0.730 nan 8.310 nan 0.000 0.480 274 G N 2.195 110.334 108.800 -1.101 0.000 2.525 274 G HA2 0.453 4.415 3.960 0.004 0.000 0.287 274 G HA3 0.453 4.415 3.960 0.004 0.000 0.287 274 G C 0.133 174.435 174.900 -0.998 0.000 1.350 274 G CA -0.508 43.424 45.100 -1.946 0.000 1.039 274 G HN 0.678 nan 8.290 nan 0.000 0.513 275 F N 0.031 119.646 119.950 -0.559 0.000 2.604 275 F HA 0.199 4.729 4.527 0.004 0.000 0.298 275 F C 2.315 178.010 175.800 -0.175 0.000 1.131 275 F CA 0.846 58.698 58.000 -0.246 0.000 1.457 275 F CB 0.147 39.065 39.000 -0.136 0.000 1.095 275 F HN 0.341 nan 8.300 nan 0.000 0.574 276 A N -0.675 122.111 122.820 -0.056 0.000 2.594 276 A HA 0.328 4.651 4.320 0.004 0.000 0.287 276 A C 0.871 178.410 177.584 -0.075 0.000 1.227 276 A CA -0.063 51.955 52.037 -0.032 0.000 0.952 276 A CB -0.538 18.455 19.000 -0.011 0.000 1.161 276 A HN 0.213 nan 8.150 nan 0.000 0.524 277 N N 0.008 118.629 118.700 -0.132 0.000 2.800 277 N HA -0.149 4.594 4.740 0.004 0.000 0.250 277 N C -0.647 174.788 175.510 -0.126 0.000 1.078 277 N CA 1.328 54.303 53.050 -0.126 0.000 0.804 277 N CB -1.432 37.024 38.487 -0.052 0.000 1.135 277 N HN 0.726 nan 8.380 nan 0.000 0.565 278 E N -0.198 119.910 120.200 -0.155 0.000 2.414 278 E HA 0.181 4.533 4.350 0.004 0.000 0.263 278 E C 0.028 176.589 176.600 -0.064 0.000 1.000 278 E CA 0.565 56.915 56.400 -0.084 0.000 0.914 278 E CB 0.429 30.114 29.700 -0.026 0.000 0.948 278 E HN 0.133 nan 8.360 nan 0.000 0.444 279 T N 2.166 116.719 114.554 -0.001 0.000 2.770 279 T HA 0.505 4.858 4.350 0.004 0.000 0.283 279 T C -0.614 174.144 174.700 0.096 0.000 0.988 279 T CA -0.892 61.245 62.100 0.061 0.000 0.957 279 T CB 0.655 69.588 68.868 0.109 0.000 0.930 279 T HN 0.361 nan 8.240 nan 0.000 0.443 280 V N 0.224 120.230 119.914 0.152 0.000 2.789 280 V HA 1.053 5.175 4.120 0.004 0.000 0.311 280 V C -0.690 175.530 176.094 0.211 0.000 1.073 280 V CA -1.156 61.235 62.300 0.151 0.000 0.921 280 V CB 1.398 33.278 31.823 0.096 0.000 1.009 280 V HN 1.118 nan 8.190 nan 0.000 0.426 281 A N 3.541 126.529 122.820 0.279 0.000 2.539 281 A HA 1.002 5.324 4.320 0.004 0.000 0.296 281 A C -1.161 176.543 177.584 0.200 0.000 1.073 281 A CA 0.016 52.185 52.037 0.220 0.000 0.700 281 A CB 2.032 21.151 19.000 0.198 0.000 1.296 281 A HN 1.671 nan 8.150 nan 0.000 0.405 282 D N -1.456 119.044 120.400 0.167 0.000 2.622 282 D HA 0.582 5.224 4.640 0.004 0.000 0.255 282 D C -1.554 174.872 176.300 0.209 0.000 1.246 282 D CA -0.611 53.528 54.000 0.232 0.000 0.795 282 D CB 1.835 42.782 40.800 0.244 0.000 1.369 282 D HN 1.204 nan 8.370 nan 0.000 0.425 283 V N 0.151 120.184 119.914 0.199 0.000 2.823 283 V HA 0.827 4.950 4.120 0.004 0.000 0.296 283 V C -0.591 175.336 176.094 -0.278 0.000 1.250 283 V CA 0.641 62.962 62.300 0.033 0.000 0.939 283 V CB 0.896 32.717 31.823 -0.003 0.000 1.062 283 V HN 1.338 nan 8.190 nan 0.000 0.433 284 G N 4.329 112.855 108.800 -0.456 0.000 2.490 284 G HA2 0.677 4.639 3.960 0.004 0.000 0.308 284 G HA3 0.677 4.639 3.960 0.004 0.000 0.308 284 G C -1.542 173.049 174.900 -0.515 0.000 1.286 284 G CA 0.174 44.757 45.100 -0.860 0.000 0.825 284 G HN 1.403 nan 8.290 nan 0.000 0.479 285 V N -0.881 118.679 119.914 -0.589 0.000 2.914 285 V HA 0.852 4.974 4.120 0.004 0.000 0.314 285 V C -0.199 175.812 176.094 -0.138 0.000 1.084 285 V CA -1.074 61.039 62.300 -0.312 0.000 0.963 285 V CB 1.905 33.502 31.823 -0.377 0.000 1.025 285 V HN 0.902 nan 8.190 nan 0.000 0.432 286 R N 2.144 122.646 120.500 0.004 0.000 2.561 286 R HA 0.711 5.054 4.340 0.004 0.000 0.297 286 R C -1.975 174.405 176.300 0.133 0.000 0.969 286 R CA -0.487 55.612 56.100 -0.001 0.000 0.879 286 R CB 1.826 32.079 30.300 -0.079 0.000 1.178 286 R HN 0.802 nan 8.270 nan 0.000 0.445 287 F N 0.841 120.827 119.950 0.060 0.000 2.547 287 F HA 0.519 5.048 4.527 0.004 0.000 0.316 287 F C -0.789 175.023 175.800 0.019 0.000 1.121 287 F CA -1.162 56.889 58.000 0.084 0.000 0.911 287 F CB 1.508 40.614 39.000 0.176 0.000 1.179 287 F HN 0.198 nan 8.300 nan 0.000 0.443 288 D N 3.468 123.908 120.400 0.067 0.000 2.163 288 D HA 0.549 5.191 4.640 0.004 0.000 0.248 288 D C -0.834 175.456 176.300 -0.017 0.000 1.035 288 D CA 0.169 54.077 54.000 -0.153 0.000 0.872 288 D CB 2.376 43.126 40.800 -0.083 0.000 1.183 288 D HN 0.508 nan 8.370 nan 0.000 0.445 289 F N 0.000 120.048 119.950 0.163 0.000 2.286 289 F HA 0.000 4.530 4.527 0.004 0.000 0.279 289 F CA 0.000 58.089 58.000 0.149 0.000 1.383 289 F CB 0.000 39.114 39.000 0.190 0.000 1.145 289 F HN 0.000 nan 8.300 nan 0.000 0.574