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 1v19_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLEVVTAGEP LVALVPQEPG HLRGKRLLEV YVGGAEVNVA VALARLGVKV DATA SEQUENCE GFVGRVGEDE LGAMVEERLR AEGVDLTHFR RAPGFTGLYL REYLPLGQGR DATA SEQUENCE VFYYRKGSAG SALAPGAFDP DYLEGVRFLH LSGITPALSP EARAFSLWAM DATA SEQUENCE EEAKRRGVRV SLDVNYRQTL WSPEEARGFL ERALPGVDLL FLSEEEAELL DATA SEQUENCE FGRVEEALRA LSAPEVVLKR GAKGAWAFVD GRRVEGSAFA VEAVDPVGAG DATA SEQUENCE DAFAAGYLAG AVWGLPVEER LRLANLLGAS VAASRGDHEG APYREDLEVL DATA SEQUENCE LK 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 0.000 176.335 176.300 0.058 0.000 1.140 1 M CA 0.000 55.339 55.300 0.065 0.000 0.988 1 M CB 0.000 32.633 32.600 0.055 0.000 1.302 2 L N 2.563 123.815 121.223 0.048 0.000 2.490 2 L HA 0.118 4.458 4.340 0.001 0.000 0.274 2 L C 0.915 177.793 176.870 0.013 0.000 1.201 2 L CA 0.482 55.332 54.840 0.017 0.000 0.869 2 L CB 0.587 42.611 42.059 -0.060 0.000 1.123 2 L HN 0.887 nan 8.230 nan 0.000 0.484 3 E N 1.968 122.187 120.200 0.031 0.000 2.251 3 E HA 0.115 4.465 4.350 0.001 0.000 0.194 3 E C -0.494 176.143 176.600 0.061 0.000 0.964 3 E CA 0.304 56.736 56.400 0.054 0.000 0.868 3 E CB 0.727 30.474 29.700 0.078 0.000 0.828 3 E HN 0.383 nan 8.360 nan 0.000 0.481 4 V N 1.416 121.350 119.914 0.033 0.000 2.841 4 V HA 0.350 4.471 4.120 0.001 0.000 0.310 4 V C -0.754 175.335 176.094 -0.010 0.000 1.090 4 V CA -0.970 61.359 62.300 0.048 0.000 0.930 4 V CB 2.476 34.321 31.823 0.036 0.000 1.014 4 V HN -0.150 nan 8.190 nan 0.000 0.425 5 V N 2.530 122.438 119.914 -0.010 0.000 2.525 5 V HA 0.684 4.804 4.120 0.001 0.000 0.299 5 V C -0.131 175.968 176.094 0.008 0.000 1.034 5 V CA -0.183 62.070 62.300 -0.078 0.000 0.863 5 V CB 2.067 33.745 31.823 -0.242 0.000 0.999 5 V HN 1.002 nan 8.190 nan 0.000 0.423 6 T N 3.388 117.968 114.554 0.044 0.000 2.924 6 T HA 0.916 5.267 4.350 0.001 0.000 0.291 6 T C -0.716 173.943 174.700 -0.069 0.000 1.045 6 T CA 0.144 62.312 62.100 0.113 0.000 1.015 6 T CB 1.815 70.849 68.868 0.276 0.000 1.103 6 T HN 1.189 nan 8.240 nan 0.000 0.496 7 A N 1.027 123.812 122.820 -0.057 0.000 2.594 7 A HA 0.986 5.307 4.320 0.001 0.000 0.295 7 A C 0.016 177.582 177.584 -0.030 0.000 1.071 7 A CA -0.022 51.846 52.037 -0.281 0.000 0.685 7 A CB 1.377 20.352 19.000 -0.042 0.000 1.285 7 A HN 1.660 nan 8.150 nan 0.000 0.405 8 G N -0.340 108.408 108.800 -0.087 0.000 2.367 8 G HA2 0.453 4.413 3.960 0.001 0.000 0.272 8 G HA3 0.453 4.413 3.960 0.001 0.000 0.272 8 G C -1.491 173.510 174.900 0.169 0.000 1.271 8 G CA 0.023 45.181 45.100 0.096 0.000 0.893 8 G HN 1.020 nan 8.290 nan 0.000 0.485 9 E N 1.435 121.732 120.200 0.161 0.000 2.114 9 E HA 0.533 4.884 4.350 0.001 0.000 0.266 9 E C -2.350 174.364 176.600 0.189 0.000 0.896 9 E CA -1.986 54.506 56.400 0.153 0.000 0.750 9 E CB 2.101 31.817 29.700 0.027 0.000 1.121 9 E HN 0.273 nan 8.360 nan 0.000 0.413 10 P HA 0.181 nan 4.420 nan 0.000 0.275 10 P C -0.687 176.706 177.300 0.156 0.000 1.228 10 P CA -0.198 62.989 63.100 0.146 0.000 0.786 10 P CB 1.186 32.950 31.700 0.106 0.000 0.927 11 L N 1.097 122.422 121.223 0.169 0.000 2.350 11 L HA 0.512 4.853 4.340 0.001 0.000 0.260 11 L C -0.350 176.678 176.870 0.264 0.000 1.015 11 L CA -1.383 53.605 54.840 0.248 0.000 0.821 11 L CB 2.457 44.699 42.059 0.305 0.000 1.370 11 L HN 0.044 nan 8.230 nan 0.000 0.416 12 V N 1.475 121.548 119.914 0.265 0.000 2.398 12 V HA 0.567 4.688 4.120 0.001 0.000 0.286 12 V C 0.193 176.349 176.094 0.103 0.000 1.026 12 V CA -0.522 61.878 62.300 0.166 0.000 0.868 12 V CB 1.551 33.440 31.823 0.110 0.000 0.982 12 V HN 0.810 nan 8.190 nan 0.000 0.443 13 A N 6.614 129.430 122.820 -0.006 0.000 2.289 13 A HA 0.785 5.106 4.320 0.001 0.000 0.298 13 A C -0.570 176.877 177.584 -0.229 0.000 1.208 13 A CA -0.409 51.419 52.037 -0.348 0.000 0.845 13 A CB 0.308 19.165 19.000 -0.238 0.000 1.125 13 A HN 0.818 nan 8.150 nan 0.000 0.517 14 L N 4.164 125.193 121.223 -0.324 0.000 2.301 14 L HA 0.447 4.788 4.340 0.001 0.000 0.278 14 L C -0.912 175.851 176.870 -0.179 0.000 1.022 14 L CA -0.596 54.125 54.840 -0.198 0.000 0.854 14 L CB 1.087 43.043 42.059 -0.171 0.000 1.226 14 L HN 0.465 nan 8.230 nan 0.000 0.429 15 V N 3.102 122.958 119.914 -0.096 0.000 2.628 15 V HA 0.549 4.670 4.120 0.001 0.000 0.306 15 V C -2.161 173.875 176.094 -0.097 0.000 1.045 15 V CA -2.000 60.245 62.300 -0.092 0.000 0.905 15 V CB 1.890 33.743 31.823 0.050 0.000 0.997 15 V HN 0.479 nan 8.190 nan 0.000 0.436 16 P HA 0.239 nan 4.420 nan 0.000 0.274 16 P C -0.069 177.213 177.300 -0.030 0.000 1.246 16 P CA -0.245 62.769 63.100 -0.143 0.000 0.795 16 P CB 1.142 32.718 31.700 -0.207 0.000 1.006 17 Q N -0.410 119.406 119.800 0.026 0.000 2.369 17 Q HA -0.066 4.275 4.340 0.001 0.000 0.206 17 Q C 0.918 177.020 176.000 0.169 0.000 0.963 17 Q CA 1.049 56.910 55.803 0.096 0.000 0.894 17 Q CB 0.180 28.948 28.738 0.051 0.000 0.965 17 Q HN 0.576 nan 8.270 nan 0.000 0.475 18 E N -1.108 119.202 120.200 0.184 0.000 2.456 18 E HA 0.383 4.734 4.350 0.001 0.000 0.278 18 E C -2.964 173.870 176.600 0.390 0.000 1.034 18 E CA -2.485 54.083 56.400 0.279 0.000 0.846 18 E CB 0.736 30.514 29.700 0.130 0.000 1.460 18 E HN -0.298 nan 8.360 nan 0.000 0.463 19 P HA 0.363 nan 4.420 nan 0.000 0.270 19 P C -0.213 177.157 177.300 0.116 0.000 1.227 19 P CA 1.320 64.627 63.100 0.345 0.000 0.788 19 P CB 0.267 32.069 31.700 0.170 0.000 0.926 20 G N -0.589 108.228 108.800 0.028 0.000 2.362 20 G HA2 -0.043 3.918 3.960 0.001 0.000 0.656 20 G HA3 -0.043 3.918 3.960 0.001 0.000 0.656 20 G C -1.449 173.389 174.900 -0.104 0.000 1.376 20 G CA -0.890 44.181 45.100 -0.048 0.000 0.971 20 G HN 0.520 nan 8.290 nan 0.000 0.636 21 H N 0.716 119.794 119.070 0.014 0.000 2.886 21 H HA 0.133 4.690 4.556 0.001 0.000 0.329 21 H C 1.680 176.996 175.328 -0.021 0.000 1.044 21 H CA 0.317 56.371 56.048 0.010 0.000 1.456 21 H CB 1.669 31.440 29.762 0.016 0.000 1.464 21 H HN 0.472 nan 8.280 nan 0.000 0.573 22 L N 5.366 126.650 121.223 0.102 0.000 2.129 22 L HA -0.237 4.104 4.340 0.001 0.000 0.212 22 L C 2.645 179.503 176.870 -0.020 0.000 1.087 22 L CA 1.697 56.539 54.840 0.003 0.000 0.757 22 L CB -0.450 41.603 42.059 -0.010 0.000 0.896 22 L HN 0.657 nan 8.230 nan 0.000 0.434 23 R N -1.100 119.404 120.500 0.006 0.000 2.152 23 R HA -0.071 4.270 4.340 0.001 0.000 0.232 23 R C 1.793 178.080 176.300 -0.020 0.000 1.117 23 R CA 1.412 57.491 56.100 -0.035 0.000 0.981 23 R CB -1.011 29.260 30.300 -0.049 0.000 0.870 23 R HN 0.419 nan 8.270 nan 0.000 0.451 24 G N 0.893 109.701 108.800 0.013 0.000 3.088 24 G HA2 0.057 4.018 3.960 0.001 0.000 0.217 24 G HA3 0.057 4.018 3.960 0.001 0.000 0.217 24 G C -0.153 174.742 174.900 -0.009 0.000 1.159 24 G CA -0.421 44.682 45.100 0.006 0.000 0.760 24 G HN 0.034 nan 8.290 nan 0.000 0.550 25 K N 0.331 120.717 120.400 -0.023 0.000 2.185 25 K HA 0.421 4.742 4.320 0.001 0.000 0.271 25 K C 0.440 177.014 176.600 -0.044 0.000 1.013 25 K CA -0.379 55.886 56.287 -0.035 0.000 0.943 25 K CB 1.725 34.193 32.500 -0.054 0.000 0.998 25 K HN 0.036 nan 8.250 nan 0.000 0.468 26 R N 0.520 120.996 120.500 -0.041 0.000 2.509 26 R HA 0.345 4.685 4.340 0.001 0.000 0.297 26 R C -0.190 176.080 176.300 -0.049 0.000 0.951 26 R CA -0.039 56.034 56.100 -0.044 0.000 1.103 26 R CB 0.655 30.935 30.300 -0.034 0.000 1.283 26 R HN 0.331 nan 8.270 nan 0.000 0.534 27 L N 1.375 122.567 121.223 -0.051 0.000 2.455 27 L HA 0.553 4.893 4.340 0.001 0.000 0.264 27 L C -1.408 175.422 176.870 -0.067 0.000 0.968 27 L CA -0.816 53.990 54.840 -0.056 0.000 0.827 27 L CB 2.474 44.507 42.059 -0.043 0.000 1.317 27 L HN -0.049 nan 8.230 nan 0.000 0.407 28 L N 2.396 123.569 121.223 -0.083 0.000 2.401 28 L HA 0.499 4.840 4.340 0.001 0.000 0.266 28 L C -0.586 176.211 176.870 -0.121 0.000 0.991 28 L CA -0.722 54.059 54.840 -0.098 0.000 0.818 28 L CB 2.681 44.672 42.059 -0.114 0.000 1.321 28 L HN 0.540 nan 8.230 nan 0.000 0.413 29 E N 1.273 121.396 120.200 -0.129 0.000 2.266 29 E HA 0.423 4.774 4.350 0.001 0.000 0.277 29 E C -1.141 175.236 176.600 -0.372 0.000 1.018 29 E CA -0.618 55.633 56.400 -0.247 0.000 0.840 29 E CB 2.330 31.916 29.700 -0.190 0.000 1.082 29 E HN 0.196 nan 8.360 nan 0.000 0.395 30 V N 3.856 123.469 119.914 -0.501 0.000 2.427 30 V HA 0.359 4.479 4.120 0.001 0.000 0.286 30 V C -0.910 174.798 176.094 -0.644 0.000 1.034 30 V CA -0.597 61.454 62.300 -0.415 0.000 0.893 30 V CB 0.110 31.791 31.823 -0.236 0.000 0.982 30 V HN 0.559 nan 8.190 nan 0.000 0.452 31 Y N 1.910 122.160 120.300 -0.083 0.000 2.581 31 Y HA 0.635 5.186 4.550 0.001 0.000 0.345 31 Y C -0.163 175.702 175.900 -0.058 0.000 1.036 31 Y CA -1.095 56.949 58.100 -0.093 0.000 1.042 31 Y CB 2.165 40.549 38.460 -0.127 0.000 1.289 31 Y HN 0.325 nan 8.280 nan 0.000 0.471 32 V N 2.088 122.076 119.914 0.123 0.000 2.370 32 V HA 0.790 4.910 4.120 0.001 0.000 0.279 32 V C 0.260 176.429 176.094 0.125 0.000 1.029 32 V CA -0.082 62.289 62.300 0.119 0.000 0.870 32 V CB 0.775 32.682 31.823 0.140 0.000 0.984 32 V HN 0.936 nan 8.190 nan 0.000 0.451 33 G N 2.480 111.384 108.800 0.173 0.000 3.211 33 G HA2 0.835 4.796 3.960 0.001 0.000 0.262 33 G HA3 0.835 4.796 3.960 0.001 0.000 0.262 33 G C -0.181 174.805 174.900 0.144 0.000 1.352 33 G CA -0.622 44.594 45.100 0.194 0.000 1.004 33 G HN 1.470 nan 8.290 nan 0.000 0.559 34 G N -2.172 106.701 108.800 0.120 0.000 3.326 34 G HA2 0.451 4.412 3.960 0.001 0.000 0.681 34 G HA3 0.451 4.412 3.960 0.001 0.000 0.681 34 G C 0.720 175.653 174.900 0.055 0.000 1.255 34 G CA 0.525 45.667 45.100 0.070 0.000 0.976 34 G HN 1.804 nan 8.290 nan 0.000 0.563 35 A N 1.917 124.768 122.820 0.050 0.000 1.894 35 A HA -0.152 4.168 4.320 0.001 0.000 0.220 35 A C 2.131 179.773 177.584 0.095 0.000 1.237 35 A CA 2.775 54.849 52.037 0.062 0.000 0.660 35 A CB -0.459 18.577 19.000 0.061 0.000 0.835 35 A HN 1.036 nan 8.150 nan 0.000 0.461 36 E N -0.656 119.644 120.200 0.167 0.000 2.208 36 E HA -0.001 4.350 4.350 0.001 0.000 0.193 36 E C 1.845 178.525 176.600 0.133 0.000 0.988 36 E CA 0.869 57.430 56.400 0.268 0.000 0.828 36 E CB -0.321 29.638 29.700 0.433 0.000 0.763 36 E HN 0.388 nan 8.360 nan 0.000 0.478 37 V N 1.701 121.576 119.914 -0.064 0.000 2.358 37 V HA -0.236 3.884 4.120 0.001 0.000 0.246 37 V C 1.608 177.546 176.094 -0.260 0.000 1.047 37 V CA 1.638 63.690 62.300 -0.413 0.000 1.035 37 V CB -0.471 31.118 31.823 -0.390 0.000 0.658 37 V HN 0.300 nan 8.190 nan 0.000 0.452 38 N N 0.343 118.986 118.700 -0.096 0.000 2.188 38 N HA -0.110 4.631 4.740 0.001 0.000 0.184 38 N C 1.760 177.172 175.510 -0.164 0.000 1.018 38 N CA 1.275 54.278 53.050 -0.080 0.000 0.858 38 N CB -0.453 38.054 38.487 0.034 0.000 0.989 38 N HN 0.377 nan 8.380 nan 0.000 0.426 39 V N 1.437 121.272 119.914 -0.131 0.000 2.358 39 V HA -0.127 3.994 4.120 0.001 0.000 0.246 39 V C 2.434 178.420 176.094 -0.180 0.000 1.047 39 V CA 1.648 63.837 62.300 -0.184 0.000 1.035 39 V CB -0.965 30.730 31.823 -0.214 0.000 0.658 39 V HN 0.269 nan 8.190 nan 0.000 0.452 40 A N -0.057 122.685 122.820 -0.130 0.000 1.902 40 A HA -0.154 4.167 4.320 0.001 0.000 0.217 40 A C 2.392 179.857 177.584 -0.197 0.000 1.181 40 A CA 2.110 54.080 52.037 -0.112 0.000 0.623 40 A CB -0.668 18.296 19.000 -0.061 0.000 0.818 40 A HN 0.335 nan 8.150 nan 0.000 0.443 41 V N -0.202 119.522 119.914 -0.316 0.000 2.307 41 V HA -0.219 3.901 4.120 0.001 0.000 0.245 41 V C 3.052 178.962 176.094 -0.306 0.000 1.045 41 V CA 1.885 63.953 62.300 -0.386 0.000 1.024 41 V CB -1.242 30.119 31.823 -0.770 0.000 0.651 41 V HN 0.609 nan 8.190 nan 0.000 0.449 42 A N -0.303 122.347 122.820 -0.285 0.000 1.933 42 A HA -0.141 4.179 4.320 0.001 0.000 0.218 42 A C 2.222 179.674 177.584 -0.219 0.000 1.175 42 A CA 1.739 53.630 52.037 -0.244 0.000 0.628 42 A CB -0.481 18.388 19.000 -0.219 0.000 0.814 42 A HN 0.505 nan 8.150 nan 0.000 0.444 43 L N -0.965 120.133 121.223 -0.208 0.000 2.044 43 L HA -0.140 4.201 4.340 0.001 0.000 0.205 43 L C 3.119 179.921 176.870 -0.114 0.000 1.075 43 L CA 0.992 55.719 54.840 -0.188 0.000 0.747 43 L CB -0.620 41.332 42.059 -0.179 0.000 0.903 43 L HN 0.413 nan 8.230 nan 0.000 0.435 44 A N 0.217 122.977 122.820 -0.101 0.000 1.948 44 A HA -0.228 4.093 4.320 0.001 0.000 0.220 44 A C 2.343 179.915 177.584 -0.020 0.000 1.177 44 A CA 1.641 53.650 52.037 -0.046 0.000 0.636 44 A CB -0.532 18.432 19.000 -0.060 0.000 0.815 44 A HN 0.357 nan 8.150 nan 0.000 0.449 45 R N -0.848 119.595 120.500 -0.095 0.000 2.235 45 R HA 0.133 4.474 4.340 0.001 0.000 0.213 45 R C 1.358 177.665 176.300 0.012 0.000 1.059 45 R CA 0.748 56.787 56.100 -0.103 0.000 0.997 45 R CB -0.249 29.756 30.300 -0.492 0.000 0.884 45 R HN 0.499 nan 8.270 nan 0.000 0.462 46 L N -0.927 120.306 121.223 0.016 0.000 2.567 46 L HA 0.192 4.533 4.340 0.001 0.000 0.225 46 L C 1.158 178.202 176.870 0.289 0.000 1.119 46 L CA 0.466 55.392 54.840 0.143 0.000 0.871 46 L CB 0.383 42.469 42.059 0.046 0.000 1.036 46 L HN 0.434 nan 8.230 nan 0.000 0.459 47 G N -0.181 108.738 108.800 0.198 0.000 2.179 47 G HA2 -0.225 3.736 3.960 0.001 0.000 0.220 47 G HA3 -0.225 3.736 3.960 0.001 0.000 0.220 47 G C 0.196 175.237 174.900 0.235 0.000 0.990 47 G CA -0.148 45.083 45.100 0.218 0.000 0.646 47 G HN 0.048 nan 8.290 nan 0.000 0.517 48 V N 1.506 121.526 119.914 0.176 0.000 2.530 48 V HA 0.309 4.430 4.120 0.001 0.000 0.282 48 V C 0.896 177.030 176.094 0.067 0.000 1.048 48 V CA -0.115 62.250 62.300 0.107 0.000 0.997 48 V CB 1.355 33.132 31.823 -0.077 0.000 0.987 48 V HN 0.312 nan 8.190 nan 0.000 0.477 49 K N 3.809 124.258 120.400 0.080 0.000 2.338 49 K HA 0.414 4.734 4.320 0.001 0.000 0.290 49 K C -0.563 176.062 176.600 0.042 0.000 1.069 49 K CA 0.063 56.389 56.287 0.065 0.000 0.941 49 K CB 1.174 33.717 32.500 0.073 0.000 1.023 49 K HN 0.461 nan 8.250 nan 0.000 0.477 50 V N 2.122 122.059 119.914 0.038 0.000 2.823 50 V HA 0.781 4.902 4.120 0.001 0.000 0.312 50 V C -0.463 175.675 176.094 0.073 0.000 1.072 50 V CA -0.456 61.864 62.300 0.033 0.000 0.937 50 V CB 2.021 33.849 31.823 0.009 0.000 1.013 50 V HN 0.825 nan 8.190 nan 0.000 0.430 51 G N 3.618 112.463 108.800 0.075 0.000 2.482 51 G HA2 0.681 4.642 3.960 0.001 0.000 0.317 51 G HA3 0.681 4.642 3.960 0.001 0.000 0.317 51 G C -1.909 173.117 174.900 0.210 0.000 1.241 51 G CA -0.545 44.664 45.100 0.181 0.000 0.967 51 G HN 0.742 nan 8.290 nan 0.000 0.482 52 F N 2.489 122.514 119.950 0.125 0.000 2.518 52 F HA 0.629 5.157 4.527 0.001 0.000 0.323 52 F C -0.718 175.193 175.800 0.185 0.000 1.129 52 F CA -0.870 57.177 58.000 0.078 0.000 0.920 52 F CB 2.189 41.157 39.000 -0.054 0.000 1.160 52 F HN 0.339 nan 8.300 nan 0.000 0.440 53 V N 5.968 125.479 119.914 -0.672 0.000 2.435 53 V HA 0.938 5.059 4.120 0.001 0.000 0.290 53 V C 0.188 175.928 176.094 -0.590 0.000 1.030 53 V CA 0.188 62.259 62.300 -0.382 0.000 0.881 53 V CB 0.770 32.385 31.823 -0.346 0.000 0.983 53 V HN 1.108 nan 8.190 nan 0.000 0.445 54 G N 4.680 113.437 108.800 -0.073 0.000 2.321 54 G HA2 0.605 4.566 3.960 0.001 0.000 0.296 54 G HA3 0.605 4.566 3.960 0.001 0.000 0.296 54 G C -1.794 173.127 174.900 0.036 0.000 1.287 54 G CA -0.915 44.208 45.100 0.039 0.000 0.846 54 G HN 0.544 nan 8.290 nan 0.000 0.508 55 R N -1.274 119.230 120.500 0.006 0.000 2.698 55 R HA 0.760 5.101 4.340 0.001 0.000 0.275 55 R C -0.278 175.982 176.300 -0.067 0.000 1.001 55 R CA -0.387 55.591 56.100 -0.204 0.000 0.896 55 R CB 2.435 32.631 30.300 -0.174 0.000 1.218 55 R HN 1.141 nan 8.270 nan 0.000 0.462 56 V N -0.848 118.970 119.914 -0.160 0.000 3.126 56 V HA 0.923 5.044 4.120 0.001 0.000 0.314 56 V C 0.256 176.312 176.094 -0.062 0.000 1.138 56 V CA -0.881 61.417 62.300 -0.003 0.000 1.034 56 V CB 1.784 33.699 31.823 0.154 0.000 1.075 56 V HN 0.741 nan 8.190 nan 0.000 0.442 57 G N -0.352 108.439 108.800 -0.015 0.000 2.562 57 G HA2 0.467 4.428 3.960 0.001 0.000 0.275 57 G HA3 0.467 4.428 3.960 0.001 0.000 0.275 57 G C -0.057 174.852 174.900 0.014 0.000 1.196 57 G CA -0.569 44.524 45.100 -0.011 0.000 0.908 57 G HN 0.878 nan 8.290 nan 0.000 0.524 58 E N 0.585 120.796 120.200 0.017 0.000 2.422 58 E HA 0.097 4.447 4.350 0.001 0.000 0.267 58 E C -0.492 176.132 176.600 0.041 0.000 1.466 58 E CA -0.165 56.247 56.400 0.019 0.000 1.767 58 E CB -0.011 29.695 29.700 0.009 0.000 1.471 58 E HN 0.557 nan 8.360 nan 0.000 0.446 59 D N -1.345 119.090 120.400 0.059 0.000 2.553 59 D HA 0.104 4.744 4.640 0.001 0.000 0.249 59 D C 0.901 177.236 176.300 0.058 0.000 1.062 59 D CA -0.756 53.282 54.000 0.064 0.000 1.085 59 D CB 0.618 41.473 40.800 0.091 0.000 1.350 59 D HN -0.303 nan 8.370 nan 0.000 0.575 60 E N -0.297 119.931 120.200 0.047 0.000 2.118 60 E HA -0.074 4.277 4.350 0.001 0.000 0.195 60 E C 1.958 178.588 176.600 0.050 0.000 0.992 60 E CA 0.745 57.168 56.400 0.039 0.000 0.804 60 E CB -0.174 29.539 29.700 0.022 0.000 0.741 60 E HN 0.478 nan 8.360 nan 0.000 0.458 61 L N -0.260 121.001 121.223 0.063 0.000 2.156 61 L HA -0.053 4.287 4.340 0.001 0.000 0.208 61 L C 2.415 179.346 176.870 0.101 0.000 1.095 61 L CA 1.094 55.980 54.840 0.076 0.000 0.770 61 L CB -0.625 41.489 42.059 0.092 0.000 0.914 61 L HN 0.162 nan 8.230 nan 0.000 0.439 62 G N -0.322 108.544 108.800 0.109 0.000 2.403 62 G HA2 -0.164 3.797 3.960 0.001 0.000 0.216 62 G HA3 -0.164 3.797 3.960 0.001 0.000 0.216 62 G C 1.793 176.778 174.900 0.142 0.000 1.154 62 G CA 0.680 45.860 45.100 0.133 0.000 0.784 62 G HN 0.425 nan 8.290 nan 0.000 0.538 63 A N 0.562 123.443 122.820 0.101 0.000 1.972 63 A HA 0.018 4.338 4.320 0.001 0.000 0.219 63 A C 2.289 179.927 177.584 0.090 0.000 1.169 63 A CA 1.828 53.921 52.037 0.092 0.000 0.635 63 A CB -0.363 18.674 19.000 0.062 0.000 0.810 63 A HN 0.413 nan 8.150 nan 0.000 0.446 64 M N -0.344 119.303 119.600 0.077 0.000 2.175 64 M HA -0.101 4.380 4.480 0.001 0.000 0.264 64 M C 1.850 178.192 176.300 0.069 0.000 1.063 64 M CA 1.701 57.038 55.300 0.061 0.000 1.119 64 M CB -0.177 32.450 32.600 0.044 0.000 1.377 64 M HN 0.221 nan 8.290 nan 0.000 0.415 65 V N 0.597 120.569 119.914 0.096 0.000 2.343 65 V HA -0.272 3.849 4.120 0.001 0.000 0.247 65 V C 2.190 178.304 176.094 0.033 0.000 1.051 65 V CA 2.282 64.627 62.300 0.074 0.000 1.036 65 V CB -0.877 31.034 31.823 0.146 0.000 0.654 65 V HN 0.574 nan 8.190 nan 0.000 0.451 66 E N -0.105 120.189 120.200 0.156 0.000 2.072 66 E HA -0.236 4.115 4.350 0.001 0.000 0.191 66 E C 2.254 178.898 176.600 0.073 0.000 0.985 66 E CA 1.289 57.795 56.400 0.176 0.000 0.801 66 E CB -0.035 29.871 29.700 0.344 0.000 0.750 66 E HN 0.664 nan 8.360 nan 0.000 0.452 67 E N -0.024 120.218 120.200 0.069 0.000 2.077 67 E HA -0.249 4.102 4.350 0.001 0.000 0.193 67 E C 2.177 178.793 176.600 0.026 0.000 0.989 67 E CA 1.083 57.512 56.400 0.047 0.000 0.800 67 E CB -0.034 29.693 29.700 0.045 0.000 0.746 67 E HN 0.003 nan 8.360 nan 0.000 0.452 68 R N 1.247 121.758 120.500 0.017 0.000 2.081 68 R HA -0.112 4.229 4.340 0.001 0.000 0.235 68 R C 2.056 178.329 176.300 -0.045 0.000 1.131 68 R CA 1.348 57.455 56.100 0.012 0.000 0.960 68 R CB -0.714 29.610 30.300 0.040 0.000 0.856 68 R HN 0.166 nan 8.270 nan 0.000 0.436 69 L N -0.139 121.014 121.223 -0.117 0.000 2.141 69 L HA -0.026 4.315 4.340 0.001 0.000 0.209 69 L C 2.815 179.633 176.870 -0.085 0.000 1.094 69 L CA 1.620 56.348 54.840 -0.186 0.000 0.763 69 L CB -0.360 41.476 42.059 -0.372 0.000 0.908 69 L HN 0.255 nan 8.230 nan 0.000 0.437 70 R N 0.008 120.490 120.500 -0.031 0.000 2.075 70 R HA -0.052 4.289 4.340 0.001 0.000 0.226 70 R C 2.376 178.688 176.300 0.020 0.000 1.114 70 R CA 1.062 57.169 56.100 0.013 0.000 0.972 70 R CB -0.138 30.186 30.300 0.039 0.000 0.869 70 R HN 0.275 nan 8.270 nan 0.000 0.437 71 A N 1.098 123.930 122.820 0.021 0.000 1.933 71 A HA -0.132 4.189 4.320 0.001 0.000 0.218 71 A C 1.691 179.301 177.584 0.043 0.000 1.175 71 A CA 1.372 53.430 52.037 0.035 0.000 0.628 71 A CB -0.264 18.761 19.000 0.042 0.000 0.814 71 A HN 0.321 nan 8.150 nan 0.000 0.444 72 E N -1.312 118.904 120.200 0.025 0.000 2.427 72 E HA 0.114 4.465 4.350 0.001 0.000 0.196 72 E C 1.192 177.807 176.600 0.024 0.000 1.028 72 E CA 0.733 57.150 56.400 0.028 0.000 0.864 72 E CB -0.217 29.459 29.700 -0.040 0.000 0.813 72 E HN 0.845 nan 8.360 nan 0.000 0.514 73 G N 1.162 109.974 108.800 0.021 0.000 2.142 73 G HA2 -0.250 3.710 3.960 0.001 0.000 0.225 73 G HA3 -0.250 3.710 3.960 0.001 0.000 0.225 73 G C 0.344 175.261 174.900 0.029 0.000 1.015 73 G CA 0.296 45.416 45.100 0.032 0.000 0.716 73 G HN 0.142 nan 8.290 nan 0.000 0.508 74 V N 0.009 119.927 119.914 0.008 0.000 2.834 74 V HA 0.442 4.563 4.120 0.001 0.000 0.301 74 V C 0.743 176.882 176.094 0.075 0.000 1.066 74 V CA 0.070 62.385 62.300 0.025 0.000 1.052 74 V CB 1.670 33.477 31.823 -0.026 0.000 1.021 74 V HN 0.423 nan 8.190 nan 0.000 0.480 75 D N 2.060 122.539 120.400 0.131 0.000 2.277 75 D HA 0.354 4.995 4.640 0.001 0.000 0.249 75 D C 0.184 176.616 176.300 0.219 0.000 1.134 75 D CA -0.085 54.022 54.000 0.178 0.000 0.863 75 D CB 0.687 41.637 40.800 0.251 0.000 1.143 75 D HN 0.424 nan 8.370 nan 0.000 0.458 76 L N 3.567 124.896 121.223 0.177 0.000 3.141 76 L HA 0.165 4.506 4.340 0.001 0.000 0.267 76 L C 1.679 178.618 176.870 0.115 0.000 1.281 76 L CA -0.242 54.740 54.840 0.236 0.000 1.037 76 L CB 0.203 42.436 42.059 0.290 0.000 1.407 76 L HN 0.459 nan 8.230 nan 0.000 0.566 77 T N -1.021 113.514 114.554 -0.031 0.000 2.737 77 T HA -0.182 4.169 4.350 0.001 0.000 0.269 77 T C 1.252 175.638 174.700 -0.524 0.000 1.040 77 T CA 1.526 63.429 62.100 -0.328 0.000 1.142 77 T CB -0.196 68.329 68.868 -0.570 0.000 0.861 77 T HN 0.401 nan 8.240 nan 0.000 0.456 78 H N -1.314 117.696 119.070 -0.100 0.000 2.512 78 H HA 0.333 4.890 4.556 0.001 0.000 0.276 78 H C -0.781 174.595 175.328 0.081 0.000 1.126 78 H CA -0.562 55.471 56.048 -0.024 0.000 1.060 78 H CB -0.062 29.679 29.762 -0.034 0.000 1.646 78 H HN 0.280 nan 8.280 nan 0.000 0.571 79 F N 2.548 122.535 119.950 0.063 0.000 2.482 79 F HA 0.490 5.018 4.527 0.001 0.000 0.331 79 F C -0.267 175.575 175.800 0.070 0.000 1.115 79 F CA -0.817 57.243 58.000 0.100 0.000 0.955 79 F CB 0.929 40.051 39.000 0.203 0.000 1.136 79 F HN 0.066 nan 8.300 nan 0.000 0.452 80 R N 4.276 124.266 120.500 -0.849 0.000 2.712 80 R HA 0.540 4.881 4.340 0.001 0.000 0.272 80 R C -1.640 174.303 176.300 -0.596 0.000 1.032 80 R CA -1.246 54.523 56.100 -0.553 0.000 0.874 80 R CB 1.287 31.455 30.300 -0.220 0.000 1.256 80 R HN 0.604 nan 8.270 nan 0.000 0.468 81 R N 0.443 120.754 120.500 -0.316 0.000 2.459 81 R HA 0.718 5.059 4.340 0.001 0.000 0.281 81 R C -0.665 175.548 176.300 -0.145 0.000 1.050 81 R CA -0.268 55.714 56.100 -0.197 0.000 1.055 81 R CB 1.745 32.000 30.300 -0.076 0.000 1.045 81 R HN 0.742 nan 8.270 nan 0.000 0.495 82 A N 3.521 126.270 122.820 -0.118 0.000 2.587 82 A HA 0.556 4.877 4.320 0.001 0.000 0.293 82 A C -2.661 174.885 177.584 -0.062 0.000 1.087 82 A CA -1.902 50.081 52.037 -0.089 0.000 0.692 82 A CB 1.577 20.514 19.000 -0.105 0.000 1.291 82 A HN 0.390 nan 8.150 nan 0.000 0.407 83 P HA 0.339 nan 4.420 nan 0.000 0.263 83 P C 0.580 177.861 177.300 -0.030 0.000 1.168 83 P CA 2.366 65.453 63.100 -0.022 0.000 0.759 83 P CB 0.318 32.007 31.700 -0.018 0.000 0.782 84 G N 1.835 110.637 108.800 0.004 0.000 2.353 84 G HA2 0.204 4.165 3.960 0.001 0.000 0.615 84 G HA3 0.204 4.165 3.960 0.001 0.000 0.615 84 G C -1.284 173.650 174.900 0.056 0.000 1.280 84 G CA -0.687 44.415 45.100 0.003 0.000 1.000 84 G HN 0.487 nan 8.290 nan 0.000 0.516 85 F N -0.879 119.083 119.950 0.019 0.000 2.541 85 F HA 0.887 5.415 4.527 0.001 0.000 0.331 85 F C 0.328 176.156 175.800 0.046 0.000 1.057 85 F CA -0.838 57.181 58.000 0.032 0.000 0.975 85 F CB 1.440 40.463 39.000 0.039 0.000 1.246 85 F HN 0.509 nan 8.300 nan 0.000 0.484 86 T N 1.582 116.297 114.554 0.267 0.000 2.806 86 T HA 0.522 4.872 4.350 0.001 0.000 0.290 86 T C 0.422 175.353 174.700 0.386 0.000 0.966 86 T CA -0.186 62.028 62.100 0.190 0.000 1.060 86 T CB 0.993 69.967 68.868 0.177 0.000 0.927 86 T HN 1.022 nan 8.240 nan 0.000 0.485 87 G N 2.066 111.030 108.800 0.272 0.000 2.527 87 G HA2 0.537 4.498 3.960 0.001 0.000 0.248 87 G HA3 0.537 4.498 3.960 0.001 0.000 0.248 87 G C -0.604 174.509 174.900 0.355 0.000 1.231 87 G CA -0.496 44.844 45.100 0.399 0.000 0.838 87 G HN 0.701 nan 8.290 nan 0.000 0.570 88 L N -0.695 120.768 121.223 0.399 0.000 2.322 88 L HA 0.967 5.307 4.340 0.001 0.000 0.252 88 L C -0.894 176.282 176.870 0.511 0.000 1.055 88 L CA -1.834 53.223 54.840 0.361 0.000 0.849 88 L CB 1.687 43.860 42.059 0.190 0.000 1.446 88 L HN 0.796 nan 8.230 nan 0.000 0.416 89 Y N -0.916 119.502 120.300 0.198 0.000 2.624 89 Y HA 0.840 5.391 4.550 0.001 0.000 0.334 89 Y C -2.255 173.701 175.900 0.093 0.000 1.155 89 Y CA -1.643 56.553 58.100 0.158 0.000 1.046 89 Y CB 1.075 39.531 38.460 -0.006 0.000 1.316 89 Y HN 0.619 nan 8.280 nan 0.000 0.457 90 L N 3.566 124.866 121.223 0.129 0.000 2.346 90 L HA 0.699 5.040 4.340 0.001 0.000 0.276 90 L C -0.188 176.749 176.870 0.112 0.000 1.006 90 L CA -0.626 54.232 54.840 0.030 0.000 0.817 90 L CB 1.993 44.123 42.059 0.118 0.000 1.272 90 L HN 0.817 nan 8.230 nan 0.000 0.421 91 R N 1.920 122.396 120.500 -0.040 0.000 2.778 91 R HA 0.751 5.092 4.340 0.001 0.000 0.277 91 R C -1.311 174.946 176.300 -0.071 0.000 0.977 91 R CA -0.577 55.516 56.100 -0.012 0.000 0.950 91 R CB 1.889 32.161 30.300 -0.047 0.000 1.165 91 R HN 0.818 nan 8.270 nan 0.000 0.474 92 E N 2.352 122.508 120.200 -0.073 0.000 2.304 92 E HA 0.223 4.574 4.350 0.001 0.000 0.277 92 E C -1.831 174.686 176.600 -0.138 0.000 0.898 92 E CA -0.923 55.369 56.400 -0.181 0.000 0.764 92 E CB 1.184 30.898 29.700 0.023 0.000 1.216 92 E HN 0.535 nan 8.360 nan 0.000 0.419 93 Y N 2.085 122.378 120.300 -0.013 0.000 2.345 93 Y HA 0.471 5.021 4.550 0.001 0.000 0.331 93 Y C -0.440 175.416 175.900 -0.072 0.000 0.959 93 Y CA -1.726 56.352 58.100 -0.036 0.000 1.204 93 Y CB 0.558 39.002 38.460 -0.027 0.000 1.135 93 Y HN 0.413 nan 8.280 nan 0.000 0.477 94 L N 5.475 126.731 121.223 0.056 0.000 2.461 94 L HA 0.163 4.504 4.340 0.001 0.000 0.272 94 L C -1.225 175.647 176.870 0.004 0.000 1.197 94 L CA -1.567 53.241 54.840 -0.054 0.000 0.836 94 L CB 0.743 42.724 42.059 -0.129 0.000 1.105 94 L HN 0.371 nan 8.230 nan 0.000 0.477 95 P HA -0.222 nan 4.420 nan 0.000 0.219 95 P C 1.191 178.490 177.300 -0.001 0.000 1.161 95 P CA 1.598 64.699 63.100 0.002 0.000 0.909 95 P CB 0.144 31.843 31.700 -0.001 0.000 0.793 96 L N -2.860 118.361 121.223 -0.003 0.000 2.653 96 L HA 0.306 4.646 4.340 0.001 0.000 0.232 96 L C 1.386 178.255 176.870 -0.000 0.000 1.169 96 L CA 0.490 55.330 54.840 -0.000 0.000 0.951 96 L CB -0.827 41.236 42.059 0.006 0.000 1.181 96 L HN 0.217 nan 8.230 nan 0.000 0.460 97 G N 0.181 108.982 108.800 0.001 0.000 2.176 97 G HA2 -0.314 3.647 3.960 0.001 0.000 0.232 97 G HA3 -0.314 3.647 3.960 0.001 0.000 0.232 97 G C 0.322 175.229 174.900 0.013 0.000 0.986 97 G CA -0.082 45.020 45.100 0.003 0.000 0.643 97 G HN 0.451 nan 8.290 nan 0.000 0.522 98 Q N 1.003 120.810 119.800 0.012 0.000 2.490 98 Q HA 0.527 4.867 4.340 0.001 0.000 0.226 98 Q C 0.825 176.835 176.000 0.017 0.000 1.132 98 Q CA 0.225 56.037 55.803 0.015 0.000 0.928 98 Q CB -0.067 28.683 28.738 0.019 0.000 1.299 98 Q HN 0.494 nan 8.270 nan 0.000 0.528 99 G N 2.952 111.768 108.800 0.027 0.000 2.502 99 G HA2 0.495 4.455 3.960 0.001 0.000 0.305 99 G HA3 0.495 4.455 3.960 0.001 0.000 0.305 99 G C -1.004 173.888 174.900 -0.013 0.000 1.190 99 G CA -0.558 44.561 45.100 0.031 0.000 0.933 99 G HN 0.617 nan 8.290 nan 0.000 0.503 100 R N -0.832 119.641 120.500 -0.044 0.000 2.740 100 R HA 0.597 4.938 4.340 0.001 0.000 0.273 100 R C -1.783 174.321 176.300 -0.328 0.000 0.998 100 R CA -0.556 55.430 56.100 -0.190 0.000 0.900 100 R CB 2.519 32.708 30.300 -0.185 0.000 1.223 100 R HN 0.390 nan 8.270 nan 0.000 0.466 101 V N 3.694 123.271 119.914 -0.561 0.000 2.656 101 V HA 0.580 4.701 4.120 0.001 0.000 0.307 101 V C -1.300 174.258 176.094 -0.893 0.000 1.051 101 V CA -0.636 61.336 62.300 -0.546 0.000 0.893 101 V CB 1.848 33.464 31.823 -0.345 0.000 0.999 101 V HN 0.555 nan 8.190 nan 0.000 0.426 102 F N 3.482 123.305 119.950 -0.211 0.000 2.493 102 F HA 0.659 5.187 4.527 0.001 0.000 0.329 102 F C -0.473 175.196 175.800 -0.220 0.000 1.126 102 F CA -0.827 57.075 58.000 -0.165 0.000 0.937 102 F CB 1.266 40.279 39.000 0.022 0.000 1.146 102 F HN 0.328 nan 8.300 nan 0.000 0.442 103 Y N 1.522 121.885 120.300 0.104 0.000 2.387 103 Y HA 0.481 5.032 4.550 0.001 0.000 0.330 103 Y C -0.727 175.038 175.900 -0.225 0.000 1.133 103 Y CA -0.813 57.327 58.100 0.065 0.000 1.152 103 Y CB 1.223 39.679 38.460 -0.007 0.000 1.215 103 Y HN 0.496 nan 8.280 nan 0.000 0.466 104 Y N 1.995 122.493 120.300 0.329 0.000 2.512 104 Y HA 0.290 4.841 4.550 0.001 0.000 0.326 104 Y C 0.561 176.641 175.900 0.300 0.000 1.008 104 Y CA -0.717 57.510 58.100 0.212 0.000 1.139 104 Y CB 0.583 39.112 38.460 0.114 0.000 1.137 104 Y HN 0.608 nan 8.280 nan 0.000 0.630 105 R N -1.182 119.549 120.500 0.386 0.000 2.517 105 R HA 0.239 4.580 4.340 0.001 0.000 0.265 105 R C 0.187 176.662 176.300 0.291 0.000 0.921 105 R CA -0.526 55.806 56.100 0.387 0.000 1.054 105 R CB 0.376 30.811 30.300 0.225 0.000 1.340 105 R HN -0.026 nan 8.270 nan 0.000 0.551 106 K N 2.036 122.572 120.400 0.227 0.000 2.430 106 K HA 0.018 4.339 4.320 0.001 0.000 0.280 106 K C 0.129 176.880 176.600 0.252 0.000 1.063 106 K CA 1.612 57.987 56.287 0.146 0.000 1.071 106 K CB 0.257 32.807 32.500 0.084 0.000 0.899 106 K HN 0.562 nan 8.250 nan 0.000 0.473 107 G N 2.744 111.597 108.800 0.089 0.000 2.137 107 G HA2 -0.271 3.689 3.960 0.001 0.000 0.237 107 G HA3 -0.271 3.689 3.960 0.001 0.000 0.237 107 G C -0.005 174.746 174.900 -0.249 0.000 1.002 107 G CA 0.393 45.518 45.100 0.042 0.000 0.702 107 G HN 0.755 nan 8.290 nan 0.000 0.515 108 S N -0.688 114.691 115.700 -0.534 0.000 2.632 108 S HA 0.757 5.228 4.470 0.001 0.000 0.267 108 S C 1.826 176.089 174.600 -0.561 0.000 1.276 108 S CA 0.430 57.936 58.200 -1.156 0.000 0.998 108 S CB 1.827 64.546 63.200 -0.801 0.000 0.953 108 S HN 1.677 nan 8.310 nan 0.000 0.547 109 A N 1.913 124.428 122.820 -0.507 0.000 1.917 109 A HA 0.055 4.375 4.320 0.001 0.000 0.219 109 A C 2.130 179.596 177.584 -0.196 0.000 1.182 109 A CA 1.824 53.701 52.037 -0.265 0.000 0.633 109 A CB -1.743 17.140 19.000 -0.196 0.000 0.819 109 A HN 1.184 nan 8.150 nan 0.000 0.448 110 G N -0.588 108.111 108.800 -0.168 0.000 2.534 110 G HA2 -0.011 3.949 3.960 0.001 0.000 0.217 110 G HA3 -0.011 3.949 3.960 0.001 0.000 0.217 110 G C 1.678 176.508 174.900 -0.116 0.000 1.128 110 G CA 1.310 46.354 45.100 -0.092 0.000 0.784 110 G HN 0.847 nan 8.290 nan 0.000 0.542 111 S N 0.338 115.949 115.700 -0.149 0.000 2.522 111 S HA 0.390 4.861 4.470 0.001 0.000 0.227 111 S C 2.363 176.880 174.600 -0.138 0.000 0.986 111 S CA 0.962 59.078 58.200 -0.139 0.000 0.929 111 S CB 0.050 63.168 63.200 -0.136 0.000 0.769 111 S HN 0.458 nan 8.310 nan 0.000 0.529 112 A N 2.858 125.590 122.820 -0.146 0.000 1.827 112 A HA 0.183 4.504 4.320 0.001 0.000 0.215 112 A C 1.128 178.623 177.584 -0.150 0.000 1.212 112 A CA 0.970 52.929 52.037 -0.131 0.000 0.624 112 A CB -1.370 17.553 19.000 -0.129 0.000 0.853 112 A HN 0.690 nan 8.150 nan 0.000 0.450 113 L N -1.312 119.779 121.223 -0.220 0.000 3.581 113 L HA -0.179 4.162 4.340 0.001 0.000 0.539 113 L C 0.329 177.083 176.870 -0.193 0.000 1.001 113 L CA 0.078 54.693 54.840 -0.374 0.000 1.082 113 L CB -1.528 40.129 42.059 -0.670 0.000 0.853 113 L HN 0.691 nan 8.230 nan 0.000 0.683 114 A N 6.332 129.114 122.820 -0.063 0.000 2.346 114 A HA 0.931 5.251 4.320 0.001 0.000 0.313 114 A C -2.300 175.391 177.584 0.179 0.000 1.140 114 A CA -1.502 50.578 52.037 0.071 0.000 0.826 114 A CB 1.118 20.110 19.000 -0.012 0.000 1.332 114 A HN 0.441 nan 8.150 nan 0.000 0.457 115 P HA 0.175 nan 4.420 nan 0.000 0.260 115 P C 0.734 177.576 177.300 -0.763 0.000 1.185 115 P CA 1.867 64.799 63.100 -0.281 0.000 0.763 115 P CB 0.483 32.007 31.700 -0.294 0.000 0.776 116 G N 3.183 111.092 108.800 -1.485 0.000 2.163 116 G HA2 -0.229 3.731 3.960 0.001 0.000 0.213 116 G HA3 -0.229 3.731 3.960 0.001 0.000 0.213 116 G C 1.023 175.743 174.900 -0.300 0.000 0.991 116 G CA 0.237 44.688 45.100 -1.082 0.000 0.653 116 G HN 0.666 nan 8.290 nan 0.000 0.518 117 A N -0.652 122.222 122.820 0.090 0.000 2.204 117 A HA 0.406 4.726 4.320 0.001 0.000 0.220 117 A C 0.926 178.738 177.584 0.380 0.000 1.165 117 A CA 2.052 54.241 52.037 0.253 0.000 0.671 117 A CB -0.616 18.514 19.000 0.216 0.000 0.792 117 A HN 1.976 nan 8.150 nan 0.000 0.473 118 F N -4.299 115.733 119.950 0.137 0.000 2.985 118 F HA 0.564 5.091 4.527 0.001 0.000 0.322 118 F C -1.203 174.546 175.800 -0.084 0.000 1.187 118 F CA -1.391 56.518 58.000 -0.152 0.000 0.910 118 F CB 0.634 39.449 39.000 -0.308 0.000 1.411 118 F HN -0.181 nan 8.300 nan 0.000 0.492 119 D N 2.928 123.004 120.400 -0.539 0.000 2.359 119 D HA 0.285 4.926 4.640 0.001 0.000 0.230 119 D C -1.682 174.456 176.300 -0.269 0.000 1.118 119 D CA -2.211 51.635 54.000 -0.257 0.000 0.844 119 D CB 1.835 42.668 40.800 0.055 0.000 1.059 119 D HN 0.302 nan 8.370 nan 0.000 0.493 120 P HA -0.156 nan 4.420 nan 0.000 0.220 120 P C 0.533 177.853 177.300 0.034 0.000 1.144 120 P CA 0.851 63.805 63.100 -0.243 0.000 0.800 120 P CB 0.473 32.072 31.700 -0.169 0.000 0.772 121 D N -1.615 118.839 120.400 0.090 0.000 2.378 121 D HA -0.142 4.498 4.640 0.001 0.000 0.222 121 D C 1.754 178.209 176.300 0.258 0.000 0.980 121 D CA 0.455 54.537 54.000 0.138 0.000 0.907 121 D CB -0.526 40.346 40.800 0.119 0.000 0.899 121 D HN 0.387 nan 8.370 nan 0.000 0.527 122 Y N 1.103 121.526 120.300 0.204 0.000 2.200 122 Y HA -0.132 4.419 4.550 0.002 0.000 0.290 122 Y C 2.223 178.253 175.900 0.216 0.000 1.137 122 Y CA 0.600 58.874 58.100 0.290 0.000 1.163 122 Y CB 0.041 38.801 38.460 0.500 0.000 0.988 122 Y HN -0.127 nan 8.280 nan 0.000 0.518 123 L N 0.710 122.067 121.223 0.224 0.000 2.201 123 L HA -0.158 4.183 4.340 0.001 0.000 0.212 123 L C 1.042 177.918 176.870 0.010 0.000 1.105 123 L CA 0.622 55.484 54.840 0.038 0.000 0.775 123 L CB -0.534 41.565 42.059 0.066 0.000 0.913 123 L HN 0.217 nan 8.230 nan 0.000 0.440 124 E N 0.341 120.572 120.200 0.052 0.000 2.529 124 E HA -0.017 4.334 4.350 0.001 0.000 0.259 124 E C 1.149 177.762 176.600 0.021 0.000 0.966 124 E CA 0.736 57.155 56.400 0.032 0.000 0.937 124 E CB 0.281 30.014 29.700 0.056 0.000 0.923 124 E HN 0.349 nan 8.360 nan 0.000 0.468 125 G N 2.746 111.547 108.800 0.001 0.000 2.234 125 G HA2 -0.287 3.673 3.960 0.001 0.000 0.260 125 G HA3 -0.287 3.673 3.960 0.001 0.000 0.260 125 G C 0.228 175.120 174.900 -0.013 0.000 0.987 125 G CA 0.215 45.315 45.100 0.000 0.000 0.625 125 G HN 0.522 nan 8.290 nan 0.000 0.532 126 V N 2.269 122.164 119.914 -0.031 0.000 2.530 126 V HA 0.361 4.482 4.120 0.001 0.000 0.282 126 V C 1.840 177.898 176.094 -0.060 0.000 1.048 126 V CA -0.367 61.908 62.300 -0.041 0.000 0.997 126 V CB 1.442 33.222 31.823 -0.072 0.000 0.987 126 V HN 0.276 nan 8.190 nan 0.000 0.477 127 R N 2.803 123.280 120.500 -0.039 0.000 2.062 127 R HA 0.079 4.420 4.340 0.001 0.000 0.231 127 R C 0.105 176.218 176.300 -0.311 0.000 1.136 127 R CA 1.316 57.338 56.100 -0.130 0.000 0.948 127 R CB -0.267 30.043 30.300 0.018 0.000 0.845 127 R HN 0.553 nan 8.270 nan 0.000 0.430 128 F N -1.019 118.924 119.950 -0.011 0.000 2.577 128 F HA 0.415 4.942 4.527 0.001 0.000 0.318 128 F C -0.517 175.286 175.800 0.004 0.000 1.065 128 F CA -1.304 56.703 58.000 0.011 0.000 0.929 128 F CB 1.731 40.754 39.000 0.038 0.000 1.237 128 F HN -0.238 nan 8.300 nan 0.000 0.468 129 L N 2.929 124.315 121.223 0.271 0.000 2.401 129 L HA 0.425 4.766 4.340 0.001 0.000 0.263 129 L C -1.370 175.630 176.870 0.216 0.000 1.004 129 L CA -0.334 54.595 54.840 0.149 0.000 0.881 129 L CB 0.285 42.367 42.059 0.038 0.000 1.219 129 L HN 0.622 nan 8.230 nan 0.000 0.441 130 H N 4.305 123.451 119.070 0.125 0.000 2.502 130 H HA 0.775 5.331 4.556 0.001 0.000 0.327 130 H C -1.266 174.128 175.328 0.111 0.000 1.099 130 H CA -0.053 56.070 56.048 0.125 0.000 1.323 130 H CB 0.968 30.777 29.762 0.079 0.000 1.450 130 H HN 0.699 nan 8.280 nan 0.000 0.502 131 L N 2.722 123.621 121.223 -0.540 0.000 2.359 131 L HA 0.456 4.796 4.340 0.001 0.000 0.256 131 L C -0.583 176.033 176.870 -0.425 0.000 1.026 131 L CA -1.023 53.633 54.840 -0.306 0.000 0.828 131 L CB 2.249 44.283 42.059 -0.041 0.000 1.406 131 L HN 0.617 nan 8.230 nan 0.000 0.413 132 S N -0.977 114.643 115.700 -0.133 0.000 2.542 132 S HA 0.505 4.975 4.470 0.001 0.000 0.293 132 S C 0.747 175.358 174.600 0.019 0.000 1.089 132 S CA -0.040 58.140 58.200 -0.034 0.000 0.961 132 S CB 1.750 64.962 63.200 0.019 0.000 1.062 132 S HN 0.799 nan 8.310 nan 0.000 0.483 133 G N 2.686 111.535 108.800 0.082 0.000 2.586 133 G HA2 -0.006 3.955 3.960 0.001 0.000 0.215 133 G HA3 -0.006 3.955 3.960 0.001 0.000 0.215 133 G C 0.992 175.834 174.900 -0.098 0.000 1.128 133 G CA 0.529 45.695 45.100 0.110 0.000 0.774 133 G HN 0.755 nan 8.290 nan 0.000 0.543 134 I N 0.479 120.968 120.570 -0.135 0.000 2.286 134 I HA -0.120 4.051 4.170 0.001 0.000 0.245 134 I C 2.917 178.831 176.117 -0.338 0.000 1.104 134 I CA 1.118 62.257 61.300 -0.267 0.000 1.397 134 I CB -0.567 37.323 38.000 -0.184 0.000 1.072 134 I HN 0.041 nan 8.210 nan 0.000 0.417 135 T N 2.286 116.715 114.554 -0.209 0.000 2.580 135 T HA -0.116 4.234 4.350 0.001 0.000 0.265 135 T C -0.455 174.086 174.700 -0.266 0.000 1.063 135 T CA 1.859 63.858 62.100 -0.168 0.000 1.170 135 T CB -1.558 67.299 68.868 -0.018 0.000 0.863 135 T HN 0.309 nan 8.240 nan 0.000 0.418 136 P HA 0.061 nan 4.420 nan 0.000 0.225 136 P C 0.856 177.717 177.300 -0.731 0.000 1.148 136 P CA 1.049 63.860 63.100 -0.481 0.000 0.779 136 P CB -0.113 31.035 31.700 -0.919 0.000 0.780 137 A N -0.783 121.356 122.820 -1.136 0.000 2.178 137 A HA 0.113 4.434 4.320 0.001 0.000 0.211 137 A C 2.237 179.394 177.584 -0.713 0.000 1.157 137 A CA 0.130 51.230 52.037 -1.561 0.000 0.780 137 A CB -1.053 16.597 19.000 -2.250 0.000 0.828 137 A HN 0.095 nan 8.150 nan 0.000 0.476 138 L N -0.054 120.880 121.223 -0.480 0.000 2.005 138 L HA -0.034 4.307 4.340 0.001 0.000 0.207 138 L C 1.380 178.131 176.870 -0.198 0.000 1.072 138 L CA 1.359 56.017 54.840 -0.302 0.000 0.744 138 L CB -0.316 41.603 42.059 -0.233 0.000 0.895 138 L HN 0.595 nan 8.230 nan 0.000 0.433 139 S N -3.746 111.863 115.700 -0.152 0.000 2.656 139 S HA 0.380 4.851 4.470 0.001 0.000 0.273 139 S C -2.455 172.130 174.600 -0.025 0.000 1.168 139 S CA -1.083 57.074 58.200 -0.073 0.000 0.817 139 S CB 1.409 64.573 63.200 -0.060 0.000 1.146 139 S HN -0.276 nan 8.310 nan 0.000 0.475 140 P HA -0.033 nan 4.420 nan 0.000 0.217 140 P C 1.188 178.528 177.300 0.066 0.000 1.151 140 P CA 1.136 64.269 63.100 0.056 0.000 0.828 140 P CB 0.025 31.756 31.700 0.052 0.000 0.788 141 E N 0.255 120.480 120.200 0.041 0.000 2.051 141 E HA -0.170 4.180 4.350 0.001 0.000 0.192 141 E C 2.082 178.750 176.600 0.112 0.000 0.991 141 E CA 1.663 58.097 56.400 0.056 0.000 0.799 141 E CB -1.371 28.337 29.700 0.012 0.000 0.748 141 E HN 0.186 nan 8.360 nan 0.000 0.449 142 A N 1.882 124.742 122.820 0.067 0.000 1.902 142 A HA -0.187 4.134 4.320 0.001 0.000 0.217 142 A C 2.302 179.987 177.584 0.169 0.000 1.181 142 A CA 1.757 53.860 52.037 0.110 0.000 0.623 142 A CB -0.618 18.366 19.000 -0.027 0.000 0.818 142 A HN 0.200 nan 8.150 nan 0.000 0.443 143 R N -0.322 120.230 120.500 0.086 0.000 2.127 143 R HA -0.109 4.232 4.340 0.001 0.000 0.238 143 R C 2.118 178.583 176.300 0.274 0.000 1.134 143 R CA 1.560 57.729 56.100 0.116 0.000 0.975 143 R CB -0.359 30.031 30.300 0.150 0.000 0.865 143 R HN 0.441 nan 8.270 nan 0.000 0.447 144 A N 0.016 122.981 122.820 0.241 0.000 1.930 144 A HA -0.098 4.223 4.320 0.001 0.000 0.215 144 A C 1.920 179.695 177.584 0.318 0.000 1.176 144 A CA 0.858 53.044 52.037 0.248 0.000 0.632 144 A CB -0.683 18.421 19.000 0.174 0.000 0.819 144 A HN 0.512 nan 8.150 nan 0.000 0.445 145 F N 1.687 121.761 119.950 0.208 0.000 2.095 145 F HA -0.191 4.337 4.527 0.001 0.000 0.298 145 F C 2.468 178.484 175.800 0.359 0.000 1.104 145 F CA 1.869 60.053 58.000 0.306 0.000 1.232 145 F CB -0.517 38.608 39.000 0.208 0.000 0.987 145 F HN 0.202 nan 8.300 nan 0.000 0.475 146 S N 1.456 117.292 115.700 0.227 0.000 2.365 146 S HA -0.246 4.225 4.470 0.001 0.000 0.221 146 S C 2.107 176.765 174.600 0.097 0.000 1.037 146 S CA 1.966 60.254 58.200 0.148 0.000 1.060 146 S CB -0.913 62.501 63.200 0.357 0.000 0.974 146 S HN 0.434 nan 8.310 nan 0.000 0.427 147 L N -0.366 120.994 121.223 0.229 0.000 2.013 147 L HA -0.187 4.153 4.340 0.001 0.000 0.212 147 L C 2.399 179.299 176.870 0.050 0.000 1.073 147 L CA 1.857 56.776 54.840 0.132 0.000 0.753 147 L CB -0.667 41.497 42.059 0.174 0.000 0.890 147 L HN 0.478 nan 8.230 nan 0.000 0.432 148 W N 1.104 122.372 121.300 -0.053 0.000 2.335 148 W HA -0.266 4.394 4.660 0.001 0.000 0.311 148 W C 2.540 178.969 176.519 -0.150 0.000 1.213 148 W CA 1.888 59.177 57.345 -0.093 0.000 1.274 148 W CB -0.367 29.040 29.460 -0.087 0.000 1.148 148 W HN 0.132 nan 8.180 nan 0.000 0.498 149 A N 1.450 123.925 122.820 -0.575 0.000 1.865 149 A HA -0.253 4.067 4.320 0.001 0.000 0.217 149 A C 2.176 179.469 177.584 -0.486 0.000 1.191 149 A CA 2.901 54.474 52.037 -0.772 0.000 0.623 149 A CB -1.267 17.321 19.000 -0.687 0.000 0.826 149 A HN 0.556 nan 8.150 nan 0.000 0.444 150 M N -1.439 117.993 119.600 -0.280 0.000 2.296 150 M HA -0.012 4.469 4.480 0.001 0.000 0.265 150 M C 1.815 178.000 176.300 -0.191 0.000 1.064 150 M CA 2.160 57.356 55.300 -0.174 0.000 1.109 150 M CB -0.650 31.901 32.600 -0.081 0.000 1.396 150 M HN 0.534 nan 8.290 nan 0.000 0.430 151 E N 1.295 121.356 120.200 -0.232 0.000 2.072 151 E HA -0.219 4.131 4.350 0.001 0.000 0.191 151 E C 1.768 178.219 176.600 -0.248 0.000 0.985 151 E CA 1.344 57.628 56.400 -0.193 0.000 0.801 151 E CB 0.109 29.721 29.700 -0.147 0.000 0.750 151 E HN 0.548 nan 8.360 nan 0.000 0.452 152 E N -0.259 119.678 120.200 -0.438 0.000 2.347 152 E HA -0.023 4.328 4.350 0.001 0.000 0.196 152 E C 1.350 177.783 176.600 -0.278 0.000 1.008 152 E CA 0.879 57.019 56.400 -0.434 0.000 0.852 152 E CB 0.098 29.293 29.700 -0.842 0.000 0.783 152 E HN 0.355 nan 8.360 nan 0.000 0.505 153 A N -0.081 122.594 122.820 -0.241 0.000 1.943 153 A HA 0.014 4.335 4.320 0.001 0.000 0.213 153 A C 2.013 179.525 177.584 -0.120 0.000 1.181 153 A CA 1.102 53.050 52.037 -0.148 0.000 0.653 153 A CB -0.165 18.761 19.000 -0.123 0.000 0.833 153 A HN 0.089 nan 8.150 nan 0.000 0.451 154 K N 0.065 120.392 120.400 -0.121 0.000 2.001 154 K HA -0.063 4.257 4.320 0.001 0.000 0.208 154 K C 2.198 178.747 176.600 -0.086 0.000 1.048 154 K CA 1.408 57.639 56.287 -0.095 0.000 0.932 154 K CB -0.234 32.214 32.500 -0.086 0.000 0.715 154 K HN 0.341 nan 8.250 nan 0.000 0.437 155 R N -0.030 120.414 120.500 -0.094 0.000 2.211 155 R HA -0.120 4.220 4.340 0.001 0.000 0.240 155 R C 1.140 177.401 176.300 -0.065 0.000 1.144 155 R CA 1.386 57.441 56.100 -0.074 0.000 0.992 155 R CB 0.058 30.310 30.300 -0.080 0.000 0.869 155 R HN -0.023 nan 8.270 nan 0.000 0.462 156 R N -1.259 119.196 120.500 -0.075 0.000 2.362 156 R HA 0.165 4.505 4.340 0.001 0.000 0.227 156 R C 0.338 176.602 176.300 -0.060 0.000 0.905 156 R CA 0.704 56.769 56.100 -0.058 0.000 1.067 156 R CB 0.910 31.177 30.300 -0.056 0.000 1.078 156 R HN 0.373 nan 8.270 nan 0.000 0.516 157 G N 0.428 109.186 108.800 -0.070 0.000 2.272 157 G HA2 -0.221 3.740 3.960 0.001 0.000 0.280 157 G HA3 -0.221 3.740 3.960 0.001 0.000 0.280 157 G C -0.421 174.418 174.900 -0.101 0.000 1.067 157 G CA 0.261 45.316 45.100 -0.076 0.000 0.902 157 G HN 0.133 nan 8.290 nan 0.000 0.500 158 V N 0.514 120.360 119.914 -0.113 0.000 2.495 158 V HA 0.476 4.597 4.120 0.001 0.000 0.298 158 V C 0.996 176.986 176.094 -0.173 0.000 1.031 158 V CA -1.066 61.146 62.300 -0.147 0.000 0.871 158 V CB 1.682 33.441 31.823 -0.107 0.000 0.988 158 V HN 0.455 nan 8.190 nan 0.000 0.432 159 R N 2.449 122.764 120.500 -0.308 0.000 2.491 159 R HA 0.390 4.731 4.340 0.001 0.000 0.283 159 R C -0.762 175.499 176.300 -0.065 0.000 1.072 159 R CA -0.241 55.682 56.100 -0.294 0.000 1.048 159 R CB 1.138 31.033 30.300 -0.675 0.000 0.983 159 R HN 0.505 nan 8.270 nan 0.000 0.450 160 V N 2.590 122.535 119.914 0.051 0.000 2.383 160 V HA 0.114 4.234 4.120 0.001 0.000 0.275 160 V C 0.156 176.400 176.094 0.250 0.000 1.036 160 V CA -0.118 62.262 62.300 0.134 0.000 0.889 160 V CB 1.557 33.408 31.823 0.047 0.000 0.985 160 V HN 0.719 nan 8.190 nan 0.000 0.459 161 S N 5.750 121.655 115.700 0.342 0.000 2.449 161 S HA 0.752 5.223 4.470 0.001 0.000 0.310 161 S C -1.055 173.710 174.600 0.275 0.000 1.096 161 S CA -0.530 57.901 58.200 0.386 0.000 1.095 161 S CB 0.971 64.473 63.200 0.502 0.000 1.007 161 S HN 0.590 nan 8.310 nan 0.000 0.474 162 L N 4.444 125.822 121.223 0.259 0.000 2.385 162 L HA 0.672 5.013 4.340 0.001 0.000 0.273 162 L C -1.309 175.753 176.870 0.321 0.000 0.990 162 L CA -0.264 54.679 54.840 0.171 0.000 0.821 162 L CB 2.079 44.228 42.059 0.151 0.000 1.279 162 L HN 0.626 nan 8.230 nan 0.000 0.412 163 D N 3.804 124.352 120.400 0.247 0.000 2.454 163 D HA 0.218 4.859 4.640 0.001 0.000 0.225 163 D C 1.119 177.551 176.300 0.220 0.000 1.081 163 D CA -0.294 53.895 54.000 0.316 0.000 0.864 163 D CB 1.329 42.290 40.800 0.269 0.000 1.040 163 D HN 0.382 nan 8.370 nan 0.000 0.517 164 V N 4.558 124.616 119.914 0.240 0.000 2.242 164 V HA -0.366 3.755 4.120 0.001 0.000 0.257 164 V C 1.090 177.330 176.094 0.243 0.000 1.073 164 V CA 2.091 64.541 62.300 0.250 0.000 1.058 164 V CB -1.173 30.791 31.823 0.234 0.000 0.664 164 V HN 0.916 nan 8.190 nan 0.000 0.451 165 N N -0.679 118.137 118.700 0.193 0.000 2.688 165 N HA -0.264 4.477 4.740 0.001 0.000 0.258 165 N C -0.375 175.243 175.510 0.179 0.000 1.016 165 N CA 0.214 53.349 53.050 0.140 0.000 0.747 165 N CB -0.908 37.626 38.487 0.079 0.000 0.895 165 N HN 0.634 nan 8.380 nan 0.000 0.543 166 Y N 1.689 122.071 120.300 0.136 0.000 2.784 166 Y HA 0.040 4.590 4.550 0.001 0.000 0.355 166 Y C 0.199 176.172 175.900 0.122 0.000 1.198 166 Y CA -0.076 58.133 58.100 0.182 0.000 1.588 166 Y CB 0.050 38.611 38.460 0.168 0.000 1.220 166 Y HN 0.052 nan 8.280 nan 0.000 0.517 167 R N 6.285 126.550 120.500 -0.392 0.000 2.198 167 R HA 0.109 4.450 4.340 0.001 0.000 0.339 167 R C 0.790 176.689 176.300 -0.669 0.000 1.020 167 R CA -0.138 55.680 56.100 -0.469 0.000 0.864 167 R CB 0.859 30.951 30.300 -0.347 0.000 1.105 167 R HN 0.846 nan 8.270 nan 0.000 0.463 168 Q N 0.338 119.712 119.800 -0.710 0.000 2.437 168 Q HA -0.065 4.276 4.340 0.001 0.000 0.210 168 Q C 0.768 176.674 176.000 -0.156 0.000 0.972 168 Q CA 1.347 56.888 55.803 -0.437 0.000 0.903 168 Q CB 0.209 28.818 28.738 -0.215 0.000 0.967 168 Q HN 0.509 nan 8.270 nan 0.000 0.486 169 T N 0.928 115.368 114.554 -0.189 0.000 2.896 169 T HA 0.007 4.358 4.350 0.001 0.000 0.263 169 T C 1.867 176.471 174.700 -0.160 0.000 1.050 169 T CA 0.590 62.607 62.100 -0.139 0.000 1.140 169 T CB -0.024 68.746 68.868 -0.164 0.000 0.877 169 T HN 0.166 nan 8.240 nan 0.000 0.457 170 L N -0.768 120.303 121.223 -0.253 0.000 2.044 170 L HA 0.153 4.493 4.340 0.001 0.000 0.205 170 L C 0.810 177.634 176.870 -0.077 0.000 1.075 170 L CA 0.594 55.248 54.840 -0.309 0.000 0.747 170 L CB -0.151 41.544 42.059 -0.607 0.000 0.903 170 L HN 0.484 nan 8.230 nan 0.000 0.435 171 W N -1.876 119.391 121.300 -0.054 0.000 3.066 171 W HA 0.515 5.176 4.660 0.001 0.000 0.330 171 W C -0.482 176.140 176.519 0.172 0.000 1.253 171 W CA -2.095 55.276 57.345 0.043 0.000 1.187 171 W CB -0.194 29.298 29.460 0.055 0.000 1.434 171 W HN -0.111 nan 8.180 nan 0.000 0.572 172 S N 0.115 116.028 115.700 0.354 0.000 2.614 172 S HA 0.416 4.887 4.470 0.001 0.000 0.265 172 S C -1.819 172.817 174.600 0.061 0.000 1.303 172 S CA -0.628 57.709 58.200 0.229 0.000 1.000 172 S CB 1.635 64.888 63.200 0.088 0.000 0.935 172 S HN 0.338 nan 8.310 nan 0.000 0.551 173 P HA -0.097 nan 4.420 nan 0.000 0.218 173 P C 0.846 177.922 177.300 -0.373 0.000 1.146 173 P CA 1.246 64.093 63.100 -0.422 0.000 0.813 173 P CB 0.004 31.497 31.700 -0.345 0.000 0.778 174 E N -0.019 120.033 120.200 -0.248 0.000 2.028 174 E HA -0.178 4.172 4.350 0.001 0.000 0.191 174 E C 1.923 178.355 176.600 -0.279 0.000 0.988 174 E CA 1.244 57.505 56.400 -0.230 0.000 0.799 174 E CB -0.821 28.795 29.700 -0.141 0.000 0.755 174 E HN 0.422 nan 8.360 nan 0.000 0.447 175 E N 0.911 120.928 120.200 -0.306 0.000 2.110 175 E HA -0.150 4.201 4.350 0.001 0.000 0.193 175 E C 2.074 178.173 176.600 -0.834 0.000 0.988 175 E CA 0.906 57.054 56.400 -0.421 0.000 0.804 175 E CB -0.219 29.308 29.700 -0.289 0.000 0.745 175 E HN 0.268 nan 8.360 nan 0.000 0.458 176 A N 1.951 124.164 122.820 -1.013 0.000 1.858 176 A HA -0.203 4.117 4.320 0.001 0.000 0.216 176 A C 2.153 179.485 177.584 -0.421 0.000 1.190 176 A CA 1.416 52.884 52.037 -0.950 0.000 0.617 176 A CB -0.456 18.203 19.000 -0.569 0.000 0.827 176 A HN 0.053 nan 8.150 nan 0.000 0.443 177 R N -0.965 119.314 120.500 -0.368 0.000 2.103 177 R HA -0.153 4.188 4.340 0.001 0.000 0.242 177 R C 2.402 178.601 176.300 -0.168 0.000 1.142 177 R CA 1.292 57.238 56.100 -0.256 0.000 0.960 177 R CB -0.783 29.299 30.300 -0.363 0.000 0.858 177 R HN 0.572 nan 8.270 nan 0.000 0.439 178 G N 0.807 109.487 108.800 -0.201 0.000 2.545 178 G HA2 -0.335 3.626 3.960 0.001 0.000 0.217 178 G HA3 -0.335 3.626 3.960 0.001 0.000 0.217 178 G C 1.222 176.082 174.900 -0.068 0.000 1.218 178 G CA 0.823 45.849 45.100 -0.123 0.000 0.787 178 G HN 0.310 nan 8.290 nan 0.000 0.571 179 F N 1.456 121.276 119.950 -0.217 0.000 2.091 179 F HA -0.115 4.413 4.527 0.001 0.000 0.299 179 F C 2.551 178.344 175.800 -0.013 0.000 1.103 179 F CA 1.580 59.531 58.000 -0.081 0.000 1.228 179 F CB -0.371 38.597 39.000 -0.053 0.000 0.984 179 F HN 0.071 nan 8.300 nan 0.000 0.477 180 L N 0.006 121.206 121.223 -0.038 0.000 2.042 180 L HA -0.243 4.098 4.340 0.001 0.000 0.210 180 L C 2.512 179.316 176.870 -0.109 0.000 1.076 180 L CA 1.987 56.793 54.840 -0.056 0.000 0.749 180 L CB -0.974 41.141 42.059 0.093 0.000 0.893 180 L HN 0.238 nan 8.230 nan 0.000 0.432 181 E N 0.279 120.434 120.200 -0.074 0.000 2.097 181 E HA -0.285 4.066 4.350 0.001 0.000 0.196 181 E C 2.408 178.945 176.600 -0.105 0.000 1.000 181 E CA 1.376 57.739 56.400 -0.061 0.000 0.804 181 E CB 0.038 29.706 29.700 -0.052 0.000 0.740 181 E HN 0.268 nan 8.360 nan 0.000 0.454 182 R N -0.580 119.822 120.500 -0.165 0.000 2.100 182 R HA 0.034 4.375 4.340 0.001 0.000 0.220 182 R C 2.144 178.294 176.300 -0.251 0.000 1.091 182 R CA 0.951 56.945 56.100 -0.177 0.000 0.986 182 R CB -0.095 30.110 30.300 -0.158 0.000 0.888 182 R HN 0.205 nan 8.270 nan 0.000 0.444 183 A N 1.185 123.744 122.820 -0.435 0.000 1.930 183 A HA -0.106 4.215 4.320 0.001 0.000 0.215 183 A C 1.972 179.428 177.584 -0.212 0.000 1.176 183 A CA 0.652 52.428 52.037 -0.433 0.000 0.632 183 A CB -0.508 18.007 19.000 -0.810 0.000 0.819 183 A HN 0.330 nan 8.150 nan 0.000 0.445 184 L N 0.599 121.726 121.223 -0.160 0.000 2.103 184 L HA -0.161 4.179 4.340 0.001 0.000 0.215 184 L C -0.716 176.111 176.870 -0.072 0.000 1.080 184 L CA 2.511 57.299 54.840 -0.086 0.000 0.764 184 L CB -1.261 40.760 42.059 -0.064 0.000 0.890 184 L HN 0.187 nan 8.230 nan 0.000 0.435 185 P HA -0.112 nan 4.420 nan 0.000 0.217 185 P C 1.224 178.491 177.300 -0.054 0.000 1.148 185 P CA 1.802 64.865 63.100 -0.061 0.000 0.828 185 P CB -0.267 31.396 31.700 -0.063 0.000 0.783 186 G N -1.729 107.034 108.800 -0.062 0.000 3.126 186 G HA2 0.137 4.098 3.960 0.001 0.000 0.224 186 G HA3 0.137 4.098 3.960 0.001 0.000 0.224 186 G C 0.109 174.990 174.900 -0.032 0.000 1.142 186 G CA -0.013 45.057 45.100 -0.051 0.000 0.759 186 G HN 0.110 nan 8.290 nan 0.000 0.550 187 V N 1.471 121.372 119.914 -0.023 0.000 2.530 187 V HA 0.204 4.325 4.120 0.001 0.000 0.282 187 V C 0.368 176.471 176.094 0.015 0.000 1.048 187 V CA -0.148 62.157 62.300 0.009 0.000 0.997 187 V CB 1.563 33.394 31.823 0.013 0.000 0.987 187 V HN 0.141 nan 8.190 nan 0.000 0.477 188 D N 2.762 123.191 120.400 0.049 0.000 2.394 188 D HA 0.179 4.820 4.640 0.001 0.000 0.226 188 D C 0.046 176.394 176.300 0.079 0.000 0.990 188 D CA 0.380 54.414 54.000 0.057 0.000 0.902 188 D CB 0.418 41.255 40.800 0.063 0.000 1.038 188 D HN 0.333 nan 8.370 nan 0.000 0.499 189 L N 1.156 122.443 121.223 0.106 0.000 2.404 189 L HA 0.489 4.830 4.340 0.001 0.000 0.272 189 L C -1.807 175.022 176.870 -0.069 0.000 0.980 189 L CA -1.041 53.800 54.840 0.003 0.000 0.836 189 L CB 1.687 43.790 42.059 0.074 0.000 1.238 189 L HN -0.150 nan 8.230 nan 0.000 0.408 190 L N 5.126 126.249 121.223 -0.168 0.000 2.333 190 L HA 0.668 5.009 4.340 0.001 0.000 0.280 190 L C -1.566 175.185 176.870 -0.197 0.000 1.004 190 L CA 0.066 54.857 54.840 -0.082 0.000 0.820 190 L CB 1.350 43.392 42.059 -0.029 0.000 1.247 190 L HN 0.472 nan 8.230 nan 0.000 0.416 191 F N 6.048 126.039 119.950 0.067 0.000 2.404 191 F HA 0.636 5.164 4.527 0.001 0.000 0.354 191 F C -0.293 175.539 175.800 0.052 0.000 1.122 191 F CA -0.402 57.631 58.000 0.056 0.000 1.080 191 F CB 1.719 40.779 39.000 0.099 0.000 1.131 191 F HN 0.403 nan 8.300 nan 0.000 0.471 192 L N 2.552 123.885 121.223 0.183 0.000 2.388 192 L HA 0.640 4.981 4.340 0.001 0.000 0.264 192 L C -0.554 176.352 176.870 0.058 0.000 0.998 192 L CA -0.307 54.599 54.840 0.110 0.000 0.817 192 L CB 2.261 44.350 42.059 0.050 0.000 1.338 192 L HN 0.472 nan 8.230 nan 0.000 0.414 193 S N 1.645 117.374 115.700 0.048 0.000 2.608 193 S HA 0.374 4.844 4.470 0.001 0.000 0.291 193 S C 0.778 175.383 174.600 0.008 0.000 1.146 193 S CA -0.265 57.935 58.200 0.001 0.000 1.043 193 S CB 1.058 64.267 63.200 0.015 0.000 1.037 193 S HN 0.823 nan 8.310 nan 0.000 0.520 194 E N 1.673 121.857 120.200 -0.026 0.000 2.077 194 E HA -0.170 4.181 4.350 0.001 0.000 0.193 194 E C 1.387 178.001 176.600 0.024 0.000 0.989 194 E CA 1.524 57.920 56.400 -0.007 0.000 0.800 194 E CB -0.005 29.668 29.700 -0.045 0.000 0.746 194 E HN 0.701 nan 8.360 nan 0.000 0.452 195 E N 0.789 121.004 120.200 0.024 0.000 2.110 195 E HA -0.167 4.184 4.350 0.001 0.000 0.193 195 E C 1.798 178.444 176.600 0.078 0.000 0.988 195 E CA 0.958 57.386 56.400 0.047 0.000 0.804 195 E CB -0.042 29.684 29.700 0.044 0.000 0.745 195 E HN 0.290 nan 8.360 nan 0.000 0.458 196 E N 0.443 120.699 120.200 0.093 0.000 2.028 196 E HA -0.149 4.202 4.350 0.001 0.000 0.191 196 E C 2.149 178.821 176.600 0.121 0.000 0.988 196 E CA 0.949 57.425 56.400 0.126 0.000 0.799 196 E CB -0.221 29.571 29.700 0.153 0.000 0.755 196 E HN 0.277 nan 8.360 nan 0.000 0.447 197 A N 1.688 124.574 122.820 0.110 0.000 1.917 197 A HA -0.313 4.008 4.320 0.001 0.000 0.219 197 A C 2.113 179.803 177.584 0.176 0.000 1.182 197 A CA 2.038 54.152 52.037 0.128 0.000 0.633 197 A CB -0.637 18.376 19.000 0.021 0.000 0.819 197 A HN 0.386 nan 8.150 nan 0.000 0.448 198 E N -0.486 119.777 120.200 0.105 0.000 2.107 198 E HA -0.111 4.239 4.350 0.001 0.000 0.191 198 E C 1.909 178.545 176.600 0.060 0.000 0.982 198 E CA 1.031 57.481 56.400 0.083 0.000 0.809 198 E CB -0.216 29.520 29.700 0.059 0.000 0.756 198 E HN 0.601 nan 8.360 nan 0.000 0.459 199 L N 0.507 121.758 121.223 0.047 0.000 2.492 199 L HA 0.081 4.422 4.340 0.001 0.000 0.223 199 L C 1.638 178.442 176.870 -0.109 0.000 1.132 199 L CA 0.348 55.186 54.840 -0.003 0.000 0.850 199 L CB 0.244 42.329 42.059 0.044 0.000 0.966 199 L HN 0.236 nan 8.230 nan 0.000 0.454 200 L N -2.130 119.042 121.223 -0.085 0.000 2.858 200 L HA 0.169 4.510 4.340 0.001 0.000 0.251 200 L C 0.286 176.825 176.870 -0.551 0.000 1.149 200 L CA -0.058 54.605 54.840 -0.295 0.000 0.955 200 L CB 0.605 42.529 42.059 -0.226 0.000 1.289 200 L HN 0.119 nan 8.230 nan 0.000 0.542 201 F N -1.319 118.581 119.950 -0.083 0.000 2.974 201 F HA 0.371 4.899 4.527 0.001 0.000 0.357 201 F C 1.459 177.231 175.800 -0.045 0.000 1.114 201 F CA 0.374 58.336 58.000 -0.064 0.000 1.099 201 F CB 1.015 39.980 39.000 -0.059 0.000 1.205 201 F HN -0.029 nan 8.300 nan 0.000 0.535 202 G N 1.179 110.024 108.800 0.075 0.000 2.812 202 G HA2 -0.256 3.705 3.960 0.001 0.000 0.219 202 G HA3 -0.256 3.705 3.960 0.001 0.000 0.219 202 G C 0.462 175.400 174.900 0.063 0.000 1.275 202 G CA -0.039 45.090 45.100 0.049 0.000 0.769 202 G HN 0.289 nan 8.290 nan 0.000 0.527 203 R N -0.961 119.591 120.500 0.086 0.000 2.668 203 R HA 0.512 4.852 4.340 0.001 0.000 0.272 203 R C 0.905 177.244 176.300 0.064 0.000 1.019 203 R CA -0.381 55.759 56.100 0.067 0.000 0.894 203 R CB 1.916 32.247 30.300 0.051 0.000 1.228 203 R HN 0.165 nan 8.270 nan 0.000 0.460 204 V N 1.389 121.340 119.914 0.062 0.000 3.362 204 V HA -0.210 3.911 4.120 0.001 0.000 0.275 204 V C 1.598 177.709 176.094 0.027 0.000 1.208 204 V CA 2.147 64.482 62.300 0.058 0.000 1.195 204 V CB -1.006 30.882 31.823 0.108 0.000 0.843 204 V HN 0.774 nan 8.190 nan 0.000 0.556 205 E N 0.503 120.710 120.200 0.011 0.000 2.207 205 E HA -0.077 4.274 4.350 0.001 0.000 0.197 205 E C 2.093 178.651 176.600 -0.069 0.000 0.914 205 E CA 0.521 56.904 56.400 -0.027 0.000 0.914 205 E CB -0.080 29.619 29.700 -0.002 0.000 0.893 205 E HN 0.351 nan 8.360 nan 0.000 0.479 206 E N 1.469 121.655 120.200 -0.024 0.000 2.049 206 E HA -0.205 4.146 4.350 0.001 0.000 0.198 206 E C 1.842 178.352 176.600 -0.149 0.000 1.007 206 E CA 2.172 58.562 56.400 -0.017 0.000 0.809 206 E CB -0.790 28.965 29.700 0.091 0.000 0.749 206 E HN 0.331 nan 8.360 nan 0.000 0.450 207 A N 0.922 123.598 122.820 -0.240 0.000 1.927 207 A HA -0.200 4.121 4.320 0.001 0.000 0.220 207 A C 2.472 179.712 177.584 -0.574 0.000 1.185 207 A CA 1.921 53.493 52.037 -0.775 0.000 0.639 207 A CB -1.007 17.677 19.000 -0.526 0.000 0.820 207 A HN 0.398 nan 8.150 nan 0.000 0.451 208 L N -1.648 119.362 121.223 -0.355 0.000 2.353 208 L HA -0.139 4.202 4.340 0.001 0.000 0.220 208 L C 2.712 179.401 176.870 -0.303 0.000 1.133 208 L CA 1.296 55.918 54.840 -0.363 0.000 0.798 208 L CB -0.464 41.365 42.059 -0.383 0.000 0.922 208 L HN 0.457 nan 8.230 nan 0.000 0.445 209 R N 0.096 120.449 120.500 -0.245 0.000 2.052 209 R HA -0.022 4.319 4.340 0.001 0.000 0.224 209 R C 2.463 178.660 176.300 -0.172 0.000 1.149 209 R CA 1.104 57.102 56.100 -0.169 0.000 0.962 209 R CB -0.197 30.038 30.300 -0.109 0.000 0.856 209 R HN 0.251 nan 8.270 nan 0.000 0.433 210 A N 1.675 124.371 122.820 -0.207 0.000 1.841 210 A HA -0.109 4.212 4.320 0.001 0.000 0.216 210 A C 1.317 178.786 177.584 -0.191 0.000 1.199 210 A CA 1.147 53.086 52.037 -0.162 0.000 0.621 210 A CB -0.893 18.040 19.000 -0.112 0.000 0.835 210 A HN 0.330 nan 8.150 nan 0.000 0.445 211 L N 2.092 123.118 121.223 -0.328 0.000 2.376 211 L HA 0.130 4.471 4.340 0.001 0.000 0.250 211 L C 0.077 176.832 176.870 -0.191 0.000 1.335 211 L CA -0.024 54.675 54.840 -0.235 0.000 1.214 211 L CB -0.588 41.297 42.059 -0.290 0.000 1.395 211 L HN 0.357 nan 8.230 nan 0.000 0.424 212 S N 0.171 115.787 115.700 -0.140 0.000 3.681 212 S HA 0.613 5.083 4.470 0.001 0.000 0.203 212 S C 0.416 174.970 174.600 -0.076 0.000 1.408 212 S CA -0.769 57.361 58.200 -0.116 0.000 0.942 212 S CB 0.782 63.922 63.200 -0.099 0.000 1.437 212 S HN 0.476 nan 8.310 nan 0.000 0.482 213 A N 3.010 125.787 122.820 -0.071 0.000 2.302 213 A HA 0.664 4.985 4.320 0.001 0.000 0.285 213 A C -1.189 176.383 177.584 -0.019 0.000 1.105 213 A CA -1.974 50.038 52.037 -0.041 0.000 0.816 213 A CB -0.120 18.858 19.000 -0.036 0.000 1.067 213 A HN 0.455 nan 8.150 nan 0.000 0.489 214 P HA -0.142 nan 4.420 nan 0.000 0.219 214 P C 0.041 177.364 177.300 0.038 0.000 1.145 214 P CA 1.753 64.862 63.100 0.016 0.000 0.813 214 P CB 0.253 31.963 31.700 0.017 0.000 0.771 215 E N -1.325 118.894 120.200 0.031 0.000 2.406 215 E HA 0.351 4.702 4.350 0.001 0.000 0.297 215 E C -1.872 174.717 176.600 -0.018 0.000 0.917 215 E CA -0.512 55.916 56.400 0.046 0.000 0.795 215 E CB 1.393 31.138 29.700 0.076 0.000 1.285 215 E HN -0.376 nan 8.360 nan 0.000 0.400 216 V N 4.099 124.030 119.914 0.028 0.000 2.656 216 V HA 0.481 4.602 4.120 0.001 0.000 0.307 216 V C -0.619 175.508 176.094 0.055 0.000 1.051 216 V CA -0.767 61.520 62.300 -0.021 0.000 0.893 216 V CB 2.011 33.811 31.823 -0.037 0.000 0.999 216 V HN 0.532 nan 8.190 nan 0.000 0.426 217 V N 5.801 125.643 119.914 -0.119 0.000 2.350 217 V HA 0.420 4.541 4.120 0.001 0.000 0.285 217 V C -0.433 175.727 176.094 0.111 0.000 1.014 217 V CA -0.507 61.769 62.300 -0.041 0.000 0.831 217 V CB 1.490 33.115 31.823 -0.331 0.000 1.000 217 V HN 0.656 nan 8.190 nan 0.000 0.433 218 L N 6.391 127.750 121.223 0.227 0.000 2.264 218 L HA 0.494 4.835 4.340 0.001 0.000 0.287 218 L C 0.197 177.048 176.870 -0.032 0.000 1.039 218 L CA 0.082 55.012 54.840 0.150 0.000 0.829 218 L CB 0.536 42.792 42.059 0.328 0.000 1.211 218 L HN 0.508 nan 8.230 nan 0.000 0.427 219 K N 5.245 125.559 120.400 -0.142 0.000 2.322 219 K HA 0.385 4.706 4.320 0.001 0.000 0.283 219 K C -0.374 176.058 176.600 -0.280 0.000 1.042 219 K CA -0.042 56.044 56.287 -0.334 0.000 0.958 219 K CB 0.715 32.944 32.500 -0.453 0.000 0.984 219 K HN 0.520 nan 8.250 nan 0.000 0.473 220 R N 2.458 122.757 120.500 -0.335 0.000 2.651 220 R HA 0.184 4.524 4.340 0.001 0.000 0.282 220 R C 0.397 176.563 176.300 -0.224 0.000 1.565 220 R CA -0.299 55.618 56.100 -0.306 0.000 1.661 220 R CB 1.011 31.013 30.300 -0.497 0.000 1.189 220 R HN 0.979 nan 8.270 nan 0.000 0.621 221 G N 1.553 110.248 108.800 -0.175 0.000 2.627 221 G HA2 -0.455 3.506 3.960 0.001 0.000 0.312 221 G HA3 -0.455 3.506 3.960 0.001 0.000 0.312 221 G C 0.780 175.616 174.900 -0.108 0.000 1.299 221 G CA 0.363 45.390 45.100 -0.123 0.000 0.989 221 G HN 0.536 nan 8.290 nan 0.000 0.547 222 A N -0.346 122.439 122.820 -0.059 0.000 2.238 222 A HA 0.343 4.664 4.320 0.001 0.000 0.208 222 A C 1.518 179.098 177.584 -0.007 0.000 1.177 222 A CA 1.503 53.535 52.037 -0.009 0.000 0.804 222 A CB -0.120 18.890 19.000 0.016 0.000 0.823 222 A HN 0.519 nan 8.150 nan 0.000 0.482 223 K N 0.947 121.307 120.400 -0.066 0.000 3.216 223 K HA 0.336 4.657 4.320 0.001 0.000 0.277 223 K C 1.269 177.790 176.600 -0.133 0.000 1.246 223 K CA 0.225 56.461 56.287 -0.085 0.000 1.227 223 K CB -0.514 31.909 32.500 -0.128 0.000 1.487 223 K HN 0.491 nan 8.250 nan 0.000 0.341 224 G N 1.596 110.373 108.800 -0.039 0.000 2.651 224 G HA2 -0.274 3.687 3.960 0.001 0.000 0.315 224 G HA3 -0.274 3.687 3.960 0.001 0.000 0.315 224 G C -0.160 174.655 174.900 -0.143 0.000 1.258 224 G CA -0.108 44.986 45.100 -0.011 0.000 1.002 224 G HN 0.774 nan 8.290 nan 0.000 0.551 225 A N -2.974 119.731 122.820 -0.191 0.000 2.549 225 A HA 0.526 4.847 4.320 0.001 0.000 0.297 225 A C -1.593 175.927 177.584 -0.105 0.000 0.983 225 A CA 0.346 52.225 52.037 -0.263 0.000 0.654 225 A CB 0.263 19.215 19.000 -0.080 0.000 1.319 225 A HN 1.524 nan 8.150 nan 0.000 0.428 226 W N 0.419 121.750 121.300 0.050 0.000 2.632 226 W HA 0.710 5.371 4.660 0.001 0.000 0.328 226 W C 0.146 176.595 176.519 -0.117 0.000 1.044 226 W CA -0.816 56.466 57.345 -0.105 0.000 1.225 226 W CB 1.994 31.328 29.460 -0.210 0.000 1.396 226 W HN 1.304 nan 8.180 nan 0.000 0.499 227 A N 3.456 126.270 122.820 -0.010 0.000 2.303 227 A HA 0.807 5.128 4.320 0.001 0.000 0.320 227 A C -1.605 175.862 177.584 -0.195 0.000 1.192 227 A CA -0.527 51.522 52.037 0.019 0.000 0.821 227 A CB 0.216 19.306 19.000 0.150 0.000 1.188 227 A HN 0.413 nan 8.150 nan 0.000 0.492 228 F N 3.179 123.168 119.950 0.065 0.000 2.311 228 F HA 0.460 4.988 4.527 0.001 0.000 0.371 228 F C 0.348 176.162 175.800 0.023 0.000 1.083 228 F CA -0.548 57.472 58.000 0.033 0.000 1.113 228 F CB 1.615 40.620 39.000 0.010 0.000 1.349 228 F HN 0.464 nan 8.300 nan 0.000 0.470 229 V N -1.569 118.428 119.914 0.139 0.000 2.864 229 V HA 0.548 4.669 4.120 0.001 0.000 0.314 229 V C -0.121 176.017 176.094 0.074 0.000 1.073 229 V CA -1.304 61.057 62.300 0.102 0.000 0.956 229 V CB 1.764 33.639 31.823 0.086 0.000 1.023 229 V HN 0.547 nan 8.190 nan 0.000 0.435 230 D N 2.150 122.584 120.400 0.057 0.000 2.706 230 D HA -0.166 4.475 4.640 0.001 0.000 0.230 230 D C 1.527 177.851 176.300 0.040 0.000 1.184 230 D CA 2.096 56.119 54.000 0.039 0.000 0.628 230 D CB -1.206 39.611 40.800 0.027 0.000 1.019 230 D HN 1.845 nan 8.370 nan 0.000 0.415 231 G N -0.446 108.389 108.800 0.059 0.000 2.343 231 G HA2 -0.458 3.503 3.960 0.001 0.000 0.264 231 G HA3 -0.458 3.503 3.960 0.001 0.000 0.264 231 G C 0.670 175.609 174.900 0.066 0.000 0.989 231 G CA 0.977 46.114 45.100 0.062 0.000 0.627 231 G HN 0.692 nan 8.290 nan 0.000 0.549 232 R N 0.270 120.794 120.500 0.040 0.000 2.707 232 R HA 0.553 4.894 4.340 0.001 0.000 0.270 232 R C -0.163 176.112 176.300 -0.042 0.000 1.083 232 R CA -0.178 55.920 56.100 -0.003 0.000 1.182 232 R CB 0.184 30.478 30.300 -0.010 0.000 1.084 232 R HN 0.225 nan 8.270 nan 0.000 0.528 233 R N 1.538 121.945 120.500 -0.154 0.000 2.721 233 R HA 0.242 4.582 4.340 0.001 0.000 0.272 233 R C -1.214 174.862 176.300 -0.374 0.000 1.721 233 R CA -0.458 55.387 56.100 -0.424 0.000 1.325 233 R CB 1.623 31.623 30.300 -0.501 0.000 1.271 233 R HN 0.244 nan 8.270 nan 0.000 0.556 234 V N 1.483 121.248 119.914 -0.249 0.000 2.637 234 V HA 0.142 4.262 4.120 0.001 0.000 0.296 234 V C 0.703 176.795 176.094 -0.004 0.000 1.046 234 V CA -0.166 62.078 62.300 -0.094 0.000 1.066 234 V CB 1.239 33.057 31.823 -0.007 0.000 0.968 234 V HN 0.611 nan 8.190 nan 0.000 0.483 235 E N 2.432 122.695 120.200 0.105 0.000 2.222 235 E HA 0.627 4.978 4.350 0.001 0.000 0.272 235 E C 0.038 176.773 176.600 0.225 0.000 0.982 235 E CA -0.513 56.085 56.400 0.330 0.000 0.842 235 E CB 1.754 31.666 29.700 0.353 0.000 1.144 235 E HN 0.820 nan 8.360 nan 0.000 0.397 236 G N 1.036 109.970 108.800 0.224 0.000 2.441 236 G HA2 0.228 4.189 3.960 0.001 0.000 0.334 236 G HA3 0.228 4.189 3.960 0.001 0.000 0.334 236 G C -0.681 174.325 174.900 0.176 0.000 1.161 236 G CA -0.656 44.561 45.100 0.195 0.000 0.935 236 G HN 0.433 nan 8.290 nan 0.000 0.488 237 S N -0.012 115.809 115.700 0.202 0.000 2.555 237 S HA 0.408 4.878 4.470 0.001 0.000 0.293 237 S C 0.964 175.726 174.600 0.271 0.000 1.248 237 S CA -0.076 58.245 58.200 0.201 0.000 1.096 237 S CB -0.465 62.876 63.200 0.235 0.000 0.881 237 S HN 1.040 nan 8.310 nan 0.000 0.498 238 A N 4.751 127.664 122.820 0.156 0.000 2.366 238 A HA 0.621 4.942 4.320 0.001 0.000 0.249 238 A C -0.530 177.177 177.584 0.204 0.000 1.084 238 A CA -0.080 52.052 52.037 0.158 0.000 0.794 238 A CB 0.099 19.136 19.000 0.062 0.000 1.034 238 A HN 0.765 nan 8.150 nan 0.000 0.491 239 F N -0.357 119.595 119.950 0.004 0.000 2.529 239 F HA 0.544 5.072 4.527 0.001 0.000 0.320 239 F C 0.658 176.456 175.800 -0.004 0.000 1.118 239 F CA -0.146 57.858 58.000 0.006 0.000 0.915 239 F CB 2.327 41.335 39.000 0.013 0.000 1.161 239 F HN 0.577 nan 8.300 nan 0.000 0.445 240 A N 3.651 126.484 122.820 0.021 0.000 3.012 240 A HA 0.530 4.851 4.320 0.001 0.000 0.295 240 A C -0.826 176.789 177.584 0.051 0.000 1.338 240 A CA -0.236 51.812 52.037 0.018 0.000 0.981 240 A CB -0.342 18.634 19.000 -0.039 0.000 1.091 240 A HN 0.461 nan 8.150 nan 0.000 0.602 241 V N 1.071 121.061 119.914 0.126 0.000 2.513 241 V HA 0.389 4.510 4.120 0.001 0.000 0.299 241 V C -0.122 176.008 176.094 0.061 0.000 1.035 241 V CA -0.811 61.554 62.300 0.107 0.000 0.889 241 V CB 1.755 33.688 31.823 0.183 0.000 0.988 241 V HN 0.788 nan 8.190 nan 0.000 0.440 242 E N 5.394 125.610 120.200 0.026 0.000 2.301 242 E HA 0.660 5.010 4.350 0.001 0.000 0.275 242 E C -0.159 176.430 176.600 -0.019 0.000 1.030 242 E CA -0.593 55.807 56.400 -0.000 0.000 0.852 242 E CB 1.517 31.209 29.700 -0.012 0.000 1.060 242 E HN 0.811 nan 8.360 nan 0.000 0.401 243 A N 3.332 126.130 122.820 -0.036 0.000 2.491 243 A HA 0.176 4.497 4.320 0.001 0.000 0.261 243 A C 0.744 178.269 177.584 -0.099 0.000 1.101 243 A CA -0.570 51.431 52.037 -0.061 0.000 0.772 243 A CB 0.568 19.530 19.000 -0.063 0.000 1.043 243 A HN 0.600 nan 8.150 nan 0.000 0.501 244 V N 2.008 121.857 119.914 -0.109 0.000 2.341 244 V HA 0.054 4.175 4.120 0.001 0.000 0.240 244 V C 0.639 176.593 176.094 -0.232 0.000 1.035 244 V CA 1.828 64.036 62.300 -0.154 0.000 1.033 244 V CB -0.131 31.625 31.823 -0.111 0.000 0.678 244 V HN 0.893 nan 8.190 nan 0.000 0.464 245 D N -0.449 119.851 120.400 -0.167 0.000 2.328 245 D HA 0.214 4.855 4.640 0.001 0.000 0.243 245 D C -2.211 174.037 176.300 -0.086 0.000 1.324 245 D CA -1.470 52.443 54.000 -0.145 0.000 0.966 245 D CB 1.910 42.642 40.800 -0.113 0.000 1.324 245 D HN 0.144 nan 8.370 nan 0.000 0.549 246 P HA -0.053 nan 4.420 nan 0.000 0.239 246 P C 0.602 177.884 177.300 -0.030 0.000 1.184 246 P CA 0.042 63.112 63.100 -0.049 0.000 0.760 246 P CB 0.423 32.097 31.700 -0.043 0.000 0.884 247 V N 0.882 120.790 119.914 -0.010 0.000 2.521 247 V HA 0.330 4.450 4.120 0.001 0.000 0.286 247 V C 1.776 177.863 176.094 -0.012 0.000 1.034 247 V CA 1.413 63.720 62.300 0.013 0.000 1.045 247 V CB -0.200 31.660 31.823 0.062 0.000 0.974 247 V HN 0.466 nan 8.190 nan 0.000 0.480 248 G N 4.296 113.093 108.800 -0.006 0.000 2.195 248 G HA2 -0.235 3.726 3.960 0.001 0.000 0.246 248 G HA3 -0.235 3.726 3.960 0.001 0.000 0.246 248 G C 0.984 175.865 174.900 -0.032 0.000 0.984 248 G CA 0.434 45.526 45.100 -0.013 0.000 0.633 248 G HN 1.230 nan 8.290 nan 0.000 0.525 249 A N 0.402 123.198 122.820 -0.040 0.000 1.930 249 A HA 0.357 4.677 4.320 0.001 0.000 0.217 249 A C 2.719 180.283 177.584 -0.033 0.000 1.175 249 A CA 2.247 54.257 52.037 -0.046 0.000 0.627 249 A CB -0.874 18.090 19.000 -0.059 0.000 0.815 249 A HN 1.583 nan 8.150 nan 0.000 0.443 250 G N -0.318 108.454 108.800 -0.048 0.000 2.422 250 G HA2 -0.176 3.785 3.960 0.001 0.000 0.218 250 G HA3 -0.176 3.785 3.960 0.001 0.000 0.218 250 G C 1.089 175.957 174.900 -0.054 0.000 1.140 250 G CA 1.114 46.180 45.100 -0.057 0.000 0.775 250 G HN 0.457 nan 8.290 nan 0.000 0.545 251 D N 1.166 121.528 120.400 -0.062 0.000 2.117 251 D HA -0.017 4.624 4.640 0.001 0.000 0.198 251 D C 2.830 179.041 176.300 -0.150 0.000 0.982 251 D CA 1.186 55.124 54.000 -0.104 0.000 0.828 251 D CB -0.461 40.305 40.800 -0.056 0.000 0.967 251 D HN 0.289 nan 8.370 nan 0.000 0.464 252 A N 0.561 123.324 122.820 -0.095 0.000 1.902 252 A HA -0.172 4.148 4.320 0.001 0.000 0.217 252 A C 2.120 179.633 177.584 -0.119 0.000 1.181 252 A CA 1.026 52.996 52.037 -0.112 0.000 0.623 252 A CB -1.041 17.911 19.000 -0.079 0.000 0.818 252 A HN 0.250 nan 8.150 nan 0.000 0.443 253 F N 1.003 120.828 119.950 -0.208 0.000 2.095 253 F HA -0.112 4.416 4.527 0.001 0.000 0.298 253 F C 2.523 178.173 175.800 -0.250 0.000 1.104 253 F CA 1.480 59.370 58.000 -0.184 0.000 1.232 253 F CB -0.377 38.530 39.000 -0.156 0.000 0.987 253 F HN 0.250 nan 8.300 nan 0.000 0.475 254 A N 0.369 123.006 122.820 -0.305 0.000 1.933 254 A HA -0.093 4.228 4.320 0.001 0.000 0.218 254 A C 2.376 179.618 177.584 -0.569 0.000 1.175 254 A CA 1.817 53.316 52.037 -0.898 0.000 0.628 254 A CB -1.566 16.736 19.000 -1.163 0.000 0.814 254 A HN 0.534 nan 8.150 nan 0.000 0.444 255 A N -0.583 121.975 122.820 -0.436 0.000 1.898 255 A HA 0.159 4.479 4.320 0.001 0.000 0.216 255 A C 2.387 179.766 177.584 -0.342 0.000 1.181 255 A CA 1.812 53.623 52.037 -0.375 0.000 0.620 255 A CB -1.289 17.526 19.000 -0.309 0.000 0.819 255 A HN 0.722 nan 8.150 nan 0.000 0.442 256 G N -2.142 106.467 108.800 -0.318 0.000 2.422 256 G HA2 -0.215 3.746 3.960 0.001 0.000 0.218 256 G HA3 -0.215 3.746 3.960 0.001 0.000 0.218 256 G C 1.518 176.233 174.900 -0.308 0.000 1.140 256 G CA 1.160 46.074 45.100 -0.310 0.000 0.775 256 G HN 0.543 nan 8.290 nan 0.000 0.545 257 Y N 0.864 120.925 120.300 -0.399 0.000 2.163 257 Y HA 0.063 4.614 4.550 0.001 0.000 0.288 257 Y C 2.624 178.376 175.900 -0.246 0.000 1.136 257 Y CA 1.161 59.102 58.100 -0.265 0.000 1.147 257 Y CB -0.110 38.318 38.460 -0.053 0.000 0.987 257 Y HN 0.088 nan 8.280 nan 0.000 0.509 258 L N -0.727 120.396 121.223 -0.167 0.000 2.046 258 L HA -0.231 4.109 4.340 0.001 0.000 0.208 258 L C 2.735 179.312 176.870 -0.488 0.000 1.077 258 L CA 1.135 55.735 54.840 -0.401 0.000 0.747 258 L CB -0.948 40.845 42.059 -0.443 0.000 0.896 258 L HN 0.294 nan 8.230 nan 0.000 0.432 259 A N 0.328 122.811 122.820 -0.560 0.000 1.908 259 A HA -0.154 4.167 4.320 0.001 0.000 0.218 259 A C 2.403 179.431 177.584 -0.927 0.000 1.181 259 A CA 1.861 53.342 52.037 -0.928 0.000 0.627 259 A CB -1.293 17.118 19.000 -0.982 0.000 0.818 259 A HN 0.449 nan 8.150 nan 0.000 0.445 260 G N -0.675 107.809 108.800 -0.528 0.000 2.418 260 G HA2 0.029 3.990 3.960 0.001 0.000 0.217 260 G HA3 0.029 3.990 3.960 0.001 0.000 0.217 260 G C 1.755 176.538 174.900 -0.196 0.000 1.158 260 G CA 1.515 46.460 45.100 -0.259 0.000 0.771 260 G HN 0.784 nan 8.290 nan 0.000 0.545 261 A N 0.331 122.972 122.820 -0.297 0.000 1.845 261 A HA 0.033 4.354 4.320 0.001 0.000 0.215 261 A C 2.548 180.154 177.584 0.036 0.000 1.195 261 A CA 1.864 53.829 52.037 -0.120 0.000 0.616 261 A CB -0.956 17.977 19.000 -0.111 0.000 0.832 261 A HN 0.287 nan 8.150 nan 0.000 0.443 262 V N -1.694 118.202 119.914 -0.030 0.000 2.527 262 V HA -0.242 3.878 4.120 0.001 0.000 0.255 262 V C 1.741 177.932 176.094 0.162 0.000 1.081 262 V CA 1.472 63.804 62.300 0.054 0.000 1.092 262 V CB -0.824 30.927 31.823 -0.120 0.000 0.673 262 V HN 0.782 nan 8.190 nan 0.000 0.470 263 W N -0.227 121.075 121.300 0.003 0.000 3.330 263 W HA 0.526 5.187 4.660 0.001 0.000 0.348 263 W C 1.498 178.009 176.519 -0.013 0.000 1.205 263 W CA -0.219 57.120 57.345 -0.009 0.000 1.841 263 W CB -0.979 28.464 29.460 -0.028 0.000 1.084 263 W HN 0.374 nan 8.180 nan 0.000 0.665 264 G N 2.051 110.963 108.800 0.187 0.000 2.372 264 G HA2 -0.277 3.684 3.960 0.001 0.000 0.297 264 G HA3 -0.277 3.684 3.960 0.001 0.000 0.297 264 G C -0.324 174.623 174.900 0.078 0.000 1.005 264 G CA 0.003 45.166 45.100 0.105 0.000 1.173 264 G HN 0.196 nan 8.290 nan 0.000 0.511 265 L N 0.790 122.045 121.223 0.053 0.000 2.331 265 L HA 0.571 4.911 4.340 0.001 0.000 0.275 265 L C -1.486 175.374 176.870 -0.016 0.000 1.022 265 L CA -2.611 52.245 54.840 0.026 0.000 0.812 265 L CB 1.684 43.763 42.059 0.033 0.000 1.257 265 L HN -0.000 nan 8.230 nan 0.000 0.435 266 P HA -0.007 nan 4.420 nan 0.000 0.269 266 P C 0.961 178.243 177.300 -0.030 0.000 1.217 266 P CA -0.303 62.792 63.100 -0.008 0.000 0.783 266 P CB 0.840 32.543 31.700 0.005 0.000 0.898 267 V N 1.057 120.965 119.914 -0.011 0.000 2.660 267 V HA -0.243 3.878 4.120 0.001 0.000 0.257 267 V C 2.146 178.257 176.094 0.029 0.000 1.088 267 V CA 2.007 64.311 62.300 0.007 0.000 1.106 267 V CB -1.470 30.393 31.823 0.067 0.000 0.686 267 V HN 0.490 nan 8.190 nan 0.000 0.481 268 E N 0.378 120.594 120.200 0.026 0.000 2.072 268 E HA -0.127 4.224 4.350 0.001 0.000 0.190 268 E C 2.230 178.848 176.600 0.031 0.000 0.982 268 E CA 1.072 57.498 56.400 0.044 0.000 0.803 268 E CB -0.253 29.470 29.700 0.038 0.000 0.755 268 E HN 0.695 nan 8.360 nan 0.000 0.453 269 E N 0.234 120.435 120.200 0.003 0.000 2.208 269 E HA -0.052 4.299 4.350 0.001 0.000 0.193 269 E C 2.034 178.602 176.600 -0.054 0.000 0.988 269 E CA 0.415 56.813 56.400 -0.003 0.000 0.828 269 E CB 0.023 29.727 29.700 0.007 0.000 0.763 269 E HN 0.107 nan 8.360 nan 0.000 0.478 270 R N 0.374 120.789 120.500 -0.140 0.000 2.075 270 R HA -0.048 4.293 4.340 0.001 0.000 0.232 270 R C 2.349 178.541 176.300 -0.179 0.000 1.126 270 R CA 0.843 56.737 56.100 -0.343 0.000 0.963 270 R CB -0.142 29.687 30.300 -0.785 0.000 0.858 270 R HN 0.180 nan 8.270 nan 0.000 0.435 271 L N -0.190 121.046 121.223 0.021 0.000 2.072 271 L HA -0.111 4.229 4.340 0.001 0.000 0.205 271 L C 2.715 179.623 176.870 0.063 0.000 1.079 271 L CA 1.075 55.995 54.840 0.134 0.000 0.752 271 L CB -0.334 41.855 42.059 0.217 0.000 0.906 271 L HN 0.155 nan 8.230 nan 0.000 0.436 272 R N 0.135 120.671 120.500 0.060 0.000 2.081 272 R HA -0.213 4.127 4.340 0.001 0.000 0.235 272 R C 2.283 178.599 176.300 0.026 0.000 1.131 272 R CA 1.450 57.600 56.100 0.084 0.000 0.960 272 R CB -0.177 30.171 30.300 0.081 0.000 0.856 272 R HN 0.174 nan 8.270 nan 0.000 0.436 273 L N 0.430 121.632 121.223 -0.034 0.000 2.027 273 L HA 0.012 4.353 4.340 0.001 0.000 0.206 273 L C 2.219 178.987 176.870 -0.170 0.000 1.074 273 L CA 2.041 56.835 54.840 -0.078 0.000 0.745 273 L CB -0.770 41.233 42.059 -0.093 0.000 0.898 273 L HN 0.217 nan 8.230 nan 0.000 0.433 274 A N 0.743 123.396 122.820 -0.279 0.000 1.859 274 A HA -0.320 4.001 4.320 0.001 0.000 0.217 274 A C 1.943 179.310 177.584 -0.361 0.000 1.198 274 A CA 2.301 53.991 52.037 -0.579 0.000 0.629 274 A CB -1.405 16.824 19.000 -1.286 0.000 0.830 274 A HN 0.814 nan 8.150 nan 0.000 0.446 275 N N -0.765 117.852 118.700 -0.137 0.000 2.521 275 N HA 0.054 4.794 4.740 0.001 0.000 0.188 275 N C 1.337 176.626 175.510 -0.368 0.000 1.146 275 N CA 0.652 53.665 53.050 -0.062 0.000 0.893 275 N CB -0.053 38.421 38.487 -0.021 0.000 0.975 275 N HN 0.366 nan 8.380 nan 0.000 0.451 276 L N 0.243 121.333 121.223 -0.222 0.000 2.162 276 L HA 0.178 4.519 4.340 0.001 0.000 0.205 276 L C 1.726 178.508 176.870 -0.147 0.000 1.086 276 L CA 1.107 55.843 54.840 -0.172 0.000 0.778 276 L CB -0.424 41.611 42.059 -0.040 0.000 0.928 276 L HN 0.088 nan 8.230 nan 0.000 0.446 277 L N -0.108 121.032 121.223 -0.138 0.000 2.068 277 L HA 0.114 4.455 4.340 0.001 0.000 0.204 277 L C 2.560 179.363 176.870 -0.111 0.000 1.076 277 L CA 1.776 56.543 54.840 -0.122 0.000 0.753 277 L CB -1.628 40.343 42.059 -0.145 0.000 0.910 277 L HN 0.318 nan 8.230 nan 0.000 0.439 278 G N -0.805 107.941 108.800 -0.091 0.000 2.476 278 G HA2 -0.305 3.656 3.960 0.001 0.000 0.218 278 G HA3 -0.305 3.656 3.960 0.001 0.000 0.218 278 G C 1.687 176.517 174.900 -0.117 0.000 1.164 278 G CA 1.003 46.073 45.100 -0.050 0.000 0.768 278 G HN 0.496 nan 8.290 nan 0.000 0.560 279 A N 0.553 123.244 122.820 -0.216 0.000 1.930 279 A HA 0.063 4.384 4.320 0.001 0.000 0.217 279 A C 2.717 180.240 177.584 -0.101 0.000 1.175 279 A CA 2.180 54.089 52.037 -0.214 0.000 0.627 279 A CB -0.509 18.239 19.000 -0.420 0.000 0.815 279 A HN 0.328 nan 8.150 nan 0.000 0.443 280 S N -0.376 115.269 115.700 -0.091 0.000 2.356 280 S HA -0.125 4.345 4.470 0.001 0.000 0.223 280 S C 1.870 176.438 174.600 -0.054 0.000 1.032 280 S CA 1.445 59.615 58.200 -0.050 0.000 1.005 280 S CB -0.479 62.694 63.200 -0.045 0.000 0.867 280 S HN 0.324 nan 8.310 nan 0.000 0.449 281 V N 1.971 121.844 119.914 -0.068 0.000 2.358 281 V HA -0.138 3.983 4.120 0.001 0.000 0.246 281 V C 2.639 178.688 176.094 -0.075 0.000 1.047 281 V CA 1.565 63.823 62.300 -0.070 0.000 1.035 281 V CB -1.130 30.654 31.823 -0.066 0.000 0.658 281 V HN 0.538 nan 8.190 nan 0.000 0.452 282 A N -0.037 122.740 122.820 -0.071 0.000 1.972 282 A HA -0.082 4.239 4.320 0.001 0.000 0.219 282 A C 2.240 179.783 177.584 -0.067 0.000 1.169 282 A CA 1.812 53.807 52.037 -0.069 0.000 0.635 282 A CB -0.561 18.399 19.000 -0.065 0.000 0.810 282 A HN 0.590 nan 8.150 nan 0.000 0.446 283 A N -1.012 121.776 122.820 -0.053 0.000 2.235 283 A HA 0.393 4.714 4.320 0.001 0.000 0.208 283 A C 0.948 178.503 177.584 -0.048 0.000 1.172 283 A CA 0.782 52.795 52.037 -0.040 0.000 0.786 283 A CB -0.180 18.811 19.000 -0.015 0.000 0.804 283 A HN 0.343 nan 8.150 nan 0.000 0.479 284 S N -0.734 114.926 115.700 -0.067 0.000 2.599 284 S HA 0.540 5.011 4.470 0.001 0.000 0.294 284 S C -0.146 174.382 174.600 -0.120 0.000 1.094 284 S CA -0.838 57.317 58.200 -0.075 0.000 0.931 284 S CB 1.487 64.649 63.200 -0.064 0.000 1.093 284 S HN 0.455 nan 8.310 nan 0.000 0.488 285 R N 0.565 120.993 120.500 -0.120 0.000 2.637 285 R HA 0.625 4.965 4.340 0.001 0.000 0.269 285 R C 0.696 176.720 176.300 -0.461 0.000 1.089 285 R CA 0.536 56.530 56.100 -0.177 0.000 1.177 285 R CB 0.484 30.765 30.300 -0.031 0.000 1.091 285 R HN 1.037 nan 8.270 nan 0.000 0.540 286 G N 1.426 109.748 108.800 -0.797 0.000 2.661 286 G HA2 -0.199 3.762 3.960 0.001 0.000 0.685 286 G HA3 -0.199 3.762 3.960 0.001 0.000 0.685 286 G C -0.460 174.088 174.900 -0.586 0.000 1.298 286 G CA -0.239 44.026 45.100 -1.392 0.000 0.855 286 G HN 0.581 nan 8.290 nan 0.000 0.560 287 D N -0.584 119.536 120.400 -0.466 0.000 2.197 287 D HA 0.108 4.748 4.640 0.001 0.000 0.212 287 D C 1.799 178.013 176.300 -0.143 0.000 0.963 287 D CA 1.818 55.701 54.000 -0.195 0.000 0.864 287 D CB -0.052 40.715 40.800 -0.054 0.000 1.009 287 D HN 0.718 nan 8.370 nan 0.000 0.479 288 H N -1.516 117.486 119.070 -0.114 0.000 2.916 288 H HA 0.278 4.835 4.556 0.001 0.000 0.262 288 H C -0.547 174.714 175.328 -0.112 0.000 1.178 288 H CA -0.329 55.653 56.048 -0.110 0.000 1.090 288 H CB 0.342 30.041 29.762 -0.105 0.000 1.657 288 H HN -0.095 nan 8.280 nan 0.000 0.601 289 E N 1.481 121.555 120.200 -0.210 0.000 2.360 289 E HA 0.240 4.591 4.350 0.001 0.000 0.269 289 E C 1.016 177.580 176.600 -0.060 0.000 1.022 289 E CA 0.882 57.222 56.400 -0.099 0.000 0.887 289 E CB 1.344 30.949 29.700 -0.158 0.000 0.990 289 E HN 0.719 nan 8.360 nan 0.000 0.426 290 G N 1.750 110.541 108.800 -0.014 0.000 2.218 290 G HA2 -0.255 3.705 3.960 0.001 0.000 0.216 290 G HA3 -0.255 3.705 3.960 0.001 0.000 0.216 290 G C 0.477 175.349 174.900 -0.046 0.000 0.994 290 G CA -0.092 44.996 45.100 -0.021 0.000 0.637 290 G HN 0.794 nan 8.290 nan 0.000 0.505 291 A N 2.471 125.246 122.820 -0.075 0.000 2.524 291 A HA 0.567 4.887 4.320 0.001 0.000 0.250 291 A C -0.969 176.482 177.584 -0.221 0.000 1.078 291 A CA 0.017 51.969 52.037 -0.141 0.000 0.761 291 A CB 0.026 18.925 19.000 -0.167 0.000 1.012 291 A HN 0.350 nan 8.150 nan 0.000 0.500 292 P HA 0.188 nan 4.420 nan 0.000 0.271 292 P C -0.990 176.201 177.300 -0.181 0.000 1.218 292 P CA 0.231 63.275 63.100 -0.094 0.000 0.780 292 P CB 0.428 32.118 31.700 -0.016 0.000 0.901 293 Y N 0.379 120.694 120.300 0.025 0.000 2.374 293 Y HA 0.306 4.856 4.550 0.001 0.000 0.322 293 Y C 2.435 178.365 175.900 0.050 0.000 1.275 293 Y CA -0.384 57.735 58.100 0.032 0.000 1.307 293 Y CB 0.549 39.025 38.460 0.026 0.000 1.282 293 Y HN 0.358 nan 8.280 nan 0.000 0.509 294 R N 1.039 121.675 120.500 0.227 0.000 2.122 294 R HA -0.282 4.059 4.340 0.001 0.000 0.236 294 R C 1.793 178.165 176.300 0.122 0.000 1.129 294 R CA 2.589 58.791 56.100 0.170 0.000 0.925 294 R CB -0.312 30.077 30.300 0.149 0.000 0.850 294 R HN 0.991 nan 8.270 nan 0.000 0.431 295 E N -0.148 120.118 120.200 0.110 0.000 2.284 295 E HA -0.239 4.112 4.350 0.001 0.000 0.200 295 E C 1.182 177.822 176.600 0.068 0.000 1.008 295 E CA 1.668 58.107 56.400 0.065 0.000 0.829 295 E CB -0.230 29.497 29.700 0.044 0.000 0.744 295 E HN 0.449 nan 8.360 nan 0.000 0.491 296 D N 1.087 121.550 120.400 0.103 0.000 2.103 296 D HA -0.041 4.600 4.640 0.001 0.000 0.199 296 D C 2.179 178.521 176.300 0.071 0.000 0.978 296 D CA 0.821 54.875 54.000 0.090 0.000 0.829 296 D CB -0.174 40.697 40.800 0.119 0.000 0.981 296 D HN 0.243 nan 8.370 nan 0.000 0.464 297 L N 0.942 122.212 121.223 0.079 0.000 2.083 297 L HA -0.153 4.188 4.340 0.001 0.000 0.209 297 L C 2.314 179.210 176.870 0.043 0.000 1.083 297 L CA 1.133 56.015 54.840 0.070 0.000 0.752 297 L CB -0.479 41.642 42.059 0.102 0.000 0.899 297 L HN 0.015 nan 8.230 nan 0.000 0.433 298 E N -0.053 120.166 120.200 0.030 0.000 2.058 298 E HA -0.209 4.142 4.350 0.001 0.000 0.194 298 E C 2.281 178.887 176.600 0.010 0.000 0.997 298 E CA 1.577 57.980 56.400 0.005 0.000 0.801 298 E CB -0.171 29.527 29.700 -0.004 0.000 0.746 298 E HN 0.265 nan 8.360 nan 0.000 0.450 299 V N 1.128 121.054 119.914 0.020 0.000 2.295 299 V HA -0.218 3.902 4.120 0.001 0.000 0.246 299 V C 2.227 178.334 176.094 0.021 0.000 1.049 299 V CA 1.246 63.558 62.300 0.019 0.000 1.024 299 V CB -0.325 31.512 31.823 0.023 0.000 0.648 299 V HN 0.216 nan 8.190 nan 0.000 0.447 300 L N -0.865 120.376 121.223 0.031 0.000 2.456 300 L HA -0.046 4.295 4.340 0.001 0.000 0.224 300 L C 1.770 178.657 176.870 0.028 0.000 1.148 300 L CA 1.428 56.288 54.840 0.033 0.000 0.825 300 L CB -0.338 41.749 42.059 0.046 0.000 0.937 300 L HN 0.288 nan 8.230 nan 0.000 0.450 301 L N -0.298 120.938 121.223 0.022 0.000 2.208 301 L HA 0.382 4.722 4.340 0.001 0.000 0.196 301 L C 1.023 177.897 176.870 0.006 0.000 1.130 301 L CA 1.808 56.656 54.840 0.014 0.000 0.791 301 L CB -0.496 41.567 42.059 0.006 0.000 0.969 301 L HN 0.068 nan 8.230 nan 0.000 0.468 302 K N 0.000 120.401 120.400 0.001 0.000 2.780 302 K HA 0.000 4.321 4.320 0.001 0.000 0.191 302 K CA 0.000 nan 56.287 nan 0.000 0.838 302 K CB 0.000 nan 32.500 nan 0.000 1.064 302 K HN 0.000 nan 8.250 nan 0.000 0.543