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 1v1s_1_D 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 0.000 176.326 176.300 0.044 0.000 1.140 1 M CA 0.000 55.333 55.300 0.055 0.000 0.988 1 M CB 0.000 32.629 32.600 0.048 0.000 1.302 2 L N 3.878 125.120 121.223 0.030 0.000 2.453 2 L HA 0.109 4.448 4.340 -0.003 0.000 0.272 2 L C 0.791 177.654 176.870 -0.011 0.000 1.182 2 L CA 0.393 55.230 54.840 -0.004 0.000 0.858 2 L CB 0.644 42.660 42.059 -0.073 0.000 1.120 2 L HN 0.849 nan 8.230 nan 0.000 0.474 3 E N 1.894 122.095 120.200 0.001 0.000 2.166 3 E HA 0.079 4.427 4.350 -0.003 0.000 0.192 3 E C -0.430 176.189 176.600 0.032 0.000 0.967 3 E CA 0.416 56.830 56.400 0.023 0.000 0.840 3 E CB 0.651 30.363 29.700 0.020 0.000 0.795 3 E HN 0.408 nan 8.360 nan 0.000 0.470 4 V N 1.112 121.020 119.914 -0.010 0.000 2.876 4 V HA 0.407 4.525 4.120 -0.003 0.000 0.312 4 V C -0.616 175.450 176.094 -0.047 0.000 1.085 4 V CA -0.992 61.308 62.300 0.000 0.000 0.945 4 V CB 2.396 34.201 31.823 -0.031 0.000 1.017 4 V HN -0.183 nan 8.190 nan 0.000 0.428 5 V N 1.991 121.881 119.914 -0.039 0.000 2.686 5 V HA 0.702 4.820 4.120 -0.003 0.000 0.306 5 V C -0.241 175.859 176.094 0.011 0.000 1.065 5 V CA -0.173 62.068 62.300 -0.098 0.000 0.894 5 V CB 2.198 33.843 31.823 -0.297 0.000 1.004 5 V HN 1.012 nan 8.190 nan 0.000 0.424 6 T N 2.901 117.498 114.554 0.071 0.000 2.916 6 T HA 0.913 5.261 4.350 -0.003 0.000 0.292 6 T C -0.995 173.754 174.700 0.081 0.000 1.064 6 T CA 0.094 62.293 62.100 0.166 0.000 1.011 6 T CB 1.839 70.885 68.868 0.296 0.000 1.152 6 T HN 1.217 nan 8.240 nan 0.000 0.510 7 A N 0.835 123.715 122.820 0.099 0.000 2.547 7 A HA 0.929 5.247 4.320 -0.003 0.000 0.297 7 A C -0.135 177.509 177.584 0.100 0.000 1.056 7 A CA -0.000 51.984 52.037 -0.087 0.000 0.688 7 A CB 1.458 20.509 19.000 0.085 0.000 1.282 7 A HN 1.443 nan 8.150 nan 0.000 0.400 8 G N -0.109 108.718 108.800 0.046 0.000 2.341 8 G HA2 0.489 4.448 3.960 -0.003 0.000 0.299 8 G HA3 0.489 4.448 3.960 -0.003 0.000 0.299 8 G C -1.580 173.476 174.900 0.260 0.000 1.274 8 G CA -0.186 45.032 45.100 0.196 0.000 0.853 8 G HN 0.883 nan 8.290 nan 0.000 0.493 9 E N 0.656 120.974 120.200 0.197 0.000 2.156 9 E HA 0.573 4.922 4.350 -0.003 0.000 0.279 9 E C -2.442 174.287 176.600 0.215 0.000 0.965 9 E CA -1.786 54.717 56.400 0.172 0.000 0.789 9 E CB 1.893 31.620 29.700 0.045 0.000 1.098 9 E HN 0.113 nan 8.360 nan 0.000 0.397 10 P HA 0.287 nan 4.420 nan 0.000 0.282 10 P C -0.953 176.442 177.300 0.159 0.000 1.249 10 P CA -0.276 62.924 63.100 0.167 0.000 0.806 10 P CB 0.843 32.661 31.700 0.197 0.000 0.984 11 L N 1.041 122.367 121.223 0.170 0.000 2.376 11 L HA 0.523 4.861 4.340 -0.003 0.000 0.258 11 L C -0.827 176.190 176.870 0.245 0.000 1.013 11 L CA -1.309 53.672 54.840 0.235 0.000 0.822 11 L CB 2.432 44.675 42.059 0.307 0.000 1.388 11 L HN -0.004 nan 8.230 nan 0.000 0.413 12 V N 1.511 121.560 119.914 0.224 0.000 2.370 12 V HA 0.575 4.694 4.120 -0.003 0.000 0.279 12 V C 0.296 176.392 176.094 0.003 0.000 1.029 12 V CA -0.528 61.847 62.300 0.125 0.000 0.870 12 V CB 1.424 33.294 31.823 0.078 0.000 0.984 12 V HN 0.804 nan 8.190 nan 0.000 0.451 13 A N 6.602 129.366 122.820 -0.093 0.000 2.309 13 A HA 0.821 5.139 4.320 -0.003 0.000 0.298 13 A C -0.606 176.785 177.584 -0.321 0.000 1.165 13 A CA -0.421 51.287 52.037 -0.548 0.000 0.821 13 A CB 0.412 19.241 19.000 -0.285 0.000 1.102 13 A HN 0.809 nan 8.150 nan 0.000 0.500 14 L N 3.197 124.168 121.223 -0.419 0.000 2.325 14 L HA 0.616 4.955 4.340 -0.003 0.000 0.281 14 L C -1.019 175.747 176.870 -0.173 0.000 1.004 14 L CA -0.709 53.998 54.840 -0.221 0.000 0.823 14 L CB 1.677 43.624 42.059 -0.186 0.000 1.236 14 L HN 0.434 nan 8.230 nan 0.000 0.415 15 V N 3.799 123.665 119.914 -0.080 0.000 2.841 15 V HA 0.463 4.581 4.120 -0.003 0.000 0.310 15 V C -2.231 173.817 176.094 -0.076 0.000 1.090 15 V CA -1.568 60.702 62.300 -0.051 0.000 0.930 15 V CB 2.662 34.550 31.823 0.109 0.000 1.014 15 V HN 0.575 nan 8.190 nan 0.000 0.425 16 P HA 0.160 nan 4.420 nan 0.000 0.272 16 P C -0.216 177.037 177.300 -0.078 0.000 1.223 16 P CA -0.094 62.906 63.100 -0.166 0.000 0.784 16 P CB 0.886 32.432 31.700 -0.256 0.000 0.923 17 Q N 0.056 119.855 119.800 -0.003 0.000 2.472 17 Q HA -0.018 4.321 4.340 -0.003 0.000 0.208 17 Q C 0.736 176.827 176.000 0.152 0.000 0.958 17 Q CA 0.776 56.630 55.803 0.085 0.000 0.932 17 Q CB 0.096 28.863 28.738 0.048 0.000 1.007 17 Q HN 0.577 nan 8.270 nan 0.000 0.508 18 E N -0.779 119.499 120.200 0.131 0.000 2.401 18 E HA 0.346 4.694 4.350 -0.003 0.000 0.280 18 E C -3.132 173.602 176.600 0.225 0.000 1.039 18 E CA -2.601 53.942 56.400 0.239 0.000 0.814 18 E CB 0.697 30.470 29.700 0.121 0.000 1.275 18 E HN -0.298 nan 8.360 nan 0.000 0.448 19 P HA 0.372 nan 4.420 nan 0.000 0.269 19 P C -0.096 177.254 177.300 0.084 0.000 1.211 19 P CA 1.600 64.885 63.100 0.308 0.000 0.781 19 P CB 0.313 32.163 31.700 0.250 0.000 0.877 20 G N -0.157 108.651 108.800 0.012 0.000 2.340 20 G HA2 -0.001 3.957 3.960 -0.003 0.000 0.527 20 G HA3 -0.001 3.957 3.960 -0.003 0.000 0.527 20 G C -1.662 173.182 174.900 -0.093 0.000 1.381 20 G CA -0.939 44.163 45.100 0.003 0.000 1.001 20 G HN 0.529 nan 8.290 nan 0.000 0.626 21 H N 0.131 119.205 119.070 0.006 0.000 2.803 21 H HA 0.317 4.871 4.556 -0.003 0.000 0.330 21 H C 1.633 176.947 175.328 -0.024 0.000 1.057 21 H CA 0.067 56.119 56.048 0.006 0.000 1.458 21 H CB 1.465 31.238 29.762 0.017 0.000 1.470 21 H HN 0.517 nan 8.280 nan 0.000 0.560 22 L N 4.041 125.284 121.223 0.034 0.000 2.089 22 L HA -0.241 4.097 4.340 -0.003 0.000 0.213 22 L C 2.430 179.287 176.870 -0.021 0.000 1.079 22 L CA 1.776 56.602 54.840 -0.024 0.000 0.758 22 L CB -0.522 41.508 42.059 -0.048 0.000 0.891 22 L HN 0.756 nan 8.230 nan 0.000 0.433 23 R N -1.153 119.356 120.500 0.016 0.000 2.170 23 R HA -0.109 4.230 4.340 -0.003 0.000 0.242 23 R C 1.906 178.202 176.300 -0.007 0.000 1.145 23 R CA 1.532 57.625 56.100 -0.012 0.000 0.984 23 R CB -1.199 29.102 30.300 0.001 0.000 0.869 23 R HN 0.434 nan 8.270 nan 0.000 0.455 24 G N 1.092 109.903 108.800 0.018 0.000 2.744 24 G HA2 0.021 3.979 3.960 -0.003 0.000 0.211 24 G HA3 0.021 3.979 3.960 -0.003 0.000 0.211 24 G C 0.076 174.970 174.900 -0.009 0.000 1.146 24 G CA -0.346 44.759 45.100 0.008 0.000 0.787 24 G HN 0.064 nan 8.290 nan 0.000 0.534 25 K N 0.240 120.627 120.400 -0.022 0.000 2.180 25 K HA 0.388 4.706 4.320 -0.003 0.000 0.251 25 K C 0.507 177.082 176.600 -0.041 0.000 1.014 25 K CA -0.149 56.116 56.287 -0.037 0.000 0.913 25 K CB 0.953 33.418 32.500 -0.059 0.000 1.008 25 K HN 0.074 nan 8.250 nan 0.000 0.490 26 R N 0.152 120.627 120.500 -0.042 0.000 2.519 26 R HA 0.305 4.644 4.340 -0.003 0.000 0.375 26 R C -0.440 175.831 176.300 -0.048 0.000 0.926 26 R CA -0.113 55.961 56.100 -0.044 0.000 1.166 26 R CB 0.643 30.923 30.300 -0.034 0.000 1.626 26 R HN 0.327 nan 8.270 nan 0.000 0.529 27 L N 1.876 123.068 121.223 -0.052 0.000 2.516 27 L HA 0.515 4.853 4.340 -0.003 0.000 0.267 27 L C -1.349 175.480 176.870 -0.068 0.000 0.957 27 L CA -0.574 54.232 54.840 -0.056 0.000 0.860 27 L CB 2.329 44.362 42.059 -0.044 0.000 1.265 27 L HN -0.070 nan 8.230 nan 0.000 0.403 28 L N 3.085 124.258 121.223 -0.084 0.000 2.346 28 L HA 0.512 4.850 4.340 -0.003 0.000 0.276 28 L C -0.233 176.560 176.870 -0.128 0.000 1.006 28 L CA -0.695 54.085 54.840 -0.100 0.000 0.817 28 L CB 2.457 44.450 42.059 -0.110 0.000 1.272 28 L HN 0.547 nan 8.230 nan 0.000 0.421 29 E N 1.347 121.460 120.200 -0.143 0.000 2.313 29 E HA 0.383 4.732 4.350 -0.003 0.000 0.272 29 E C -1.109 175.255 176.600 -0.392 0.000 1.038 29 E CA -0.612 55.620 56.400 -0.281 0.000 0.863 29 E CB 2.259 31.787 29.700 -0.287 0.000 1.060 29 E HN 0.208 nan 8.360 nan 0.000 0.402 30 V N 3.771 123.382 119.914 -0.505 0.000 2.370 30 V HA 0.308 4.426 4.120 -0.003 0.000 0.283 30 V C -1.004 174.755 176.094 -0.558 0.000 1.023 30 V CA -0.584 61.478 62.300 -0.397 0.000 0.857 30 V CB -0.025 31.661 31.823 -0.229 0.000 0.985 30 V HN 0.539 nan 8.190 nan 0.000 0.443 31 Y N 2.346 122.605 120.300 -0.068 0.000 2.576 31 Y HA 0.657 5.206 4.550 -0.002 0.000 0.346 31 Y C -0.030 175.868 175.900 -0.003 0.000 1.018 31 Y CA -1.101 56.967 58.100 -0.053 0.000 1.050 31 Y CB 2.138 40.552 38.460 -0.078 0.000 1.280 31 Y HN 0.333 nan 8.280 nan 0.000 0.474 32 V N 1.957 122.012 119.914 0.235 0.000 2.439 32 V HA 0.848 4.967 4.120 -0.003 0.000 0.282 32 V C 0.255 176.530 176.094 0.302 0.000 1.039 32 V CA -0.032 62.402 62.300 0.223 0.000 0.913 32 V CB 0.908 32.850 31.823 0.199 0.000 0.983 32 V HN 0.961 nan 8.190 nan 0.000 0.460 33 G N 2.115 111.057 108.800 0.237 0.000 3.021 33 G HA2 0.794 4.753 3.960 -0.003 0.000 0.290 33 G HA3 0.794 4.753 3.960 -0.003 0.000 0.290 33 G C -0.264 174.717 174.900 0.135 0.000 1.291 33 G CA -0.469 44.774 45.100 0.239 0.000 0.834 33 G HN 1.502 nan 8.290 nan 0.000 0.564 34 G N -1.730 107.139 108.800 0.115 0.000 3.393 34 G HA2 0.455 4.413 3.960 -0.003 0.000 0.676 34 G HA3 0.455 4.413 3.960 -0.003 0.000 0.676 34 G C 0.763 175.685 174.900 0.036 0.000 1.224 34 G CA 0.684 45.826 45.100 0.070 0.000 1.109 34 G HN 1.964 nan 8.290 nan 0.000 0.519 35 A N 2.275 125.125 122.820 0.050 0.000 1.901 35 A HA -0.241 4.078 4.320 -0.003 0.000 0.227 35 A C 2.209 179.829 177.584 0.060 0.000 1.551 35 A CA 2.921 54.990 52.037 0.054 0.000 0.769 35 A CB -0.830 18.215 19.000 0.076 0.000 0.845 35 A HN 1.255 nan 8.150 nan 0.000 0.481 36 E N -0.774 119.510 120.200 0.139 0.000 2.147 36 E HA -0.143 4.205 4.350 -0.003 0.000 0.199 36 E C 1.915 178.538 176.600 0.038 0.000 1.005 36 E CA 1.449 57.979 56.400 0.217 0.000 0.810 36 E CB -0.518 29.425 29.700 0.405 0.000 0.736 36 E HN 0.438 nan 8.360 nan 0.000 0.460 37 V N 1.603 121.429 119.914 -0.147 0.000 2.270 37 V HA -0.277 3.841 4.120 -0.003 0.000 0.245 37 V C 1.816 177.691 176.094 -0.365 0.000 1.043 37 V CA 1.860 63.880 62.300 -0.467 0.000 1.014 37 V CB -0.632 30.894 31.823 -0.494 0.000 0.645 37 V HN 0.299 nan 8.190 nan 0.000 0.447 38 N N 0.620 119.182 118.700 -0.230 0.000 2.091 38 N HA -0.172 4.566 4.740 -0.003 0.000 0.193 38 N C 1.791 177.173 175.510 -0.214 0.000 1.021 38 N CA 1.792 54.718 53.050 -0.207 0.000 0.862 38 N CB -0.581 37.893 38.487 -0.022 0.000 1.018 38 N HN 0.424 nan 8.380 nan 0.000 0.429 39 V N 1.509 121.323 119.914 -0.166 0.000 2.358 39 V HA -0.140 3.978 4.120 -0.003 0.000 0.246 39 V C 2.551 178.533 176.094 -0.187 0.000 1.047 39 V CA 1.655 63.843 62.300 -0.187 0.000 1.035 39 V CB -1.038 30.665 31.823 -0.201 0.000 0.658 39 V HN 0.287 nan 8.190 nan 0.000 0.452 40 A N 0.372 123.096 122.820 -0.161 0.000 1.908 40 A HA -0.167 4.151 4.320 -0.003 0.000 0.218 40 A C 2.389 179.860 177.584 -0.189 0.000 1.181 40 A CA 2.291 54.246 52.037 -0.137 0.000 0.627 40 A CB -0.770 18.161 19.000 -0.115 0.000 0.818 40 A HN 0.364 nan 8.150 nan 0.000 0.445 41 V N -0.014 119.733 119.914 -0.278 0.000 2.233 41 V HA -0.271 3.848 4.120 -0.003 0.000 0.247 41 V C 3.033 179.000 176.094 -0.211 0.000 1.050 41 V CA 2.049 64.183 62.300 -0.276 0.000 1.010 41 V CB -1.701 29.843 31.823 -0.465 0.000 0.637 41 V HN 0.623 nan 8.190 nan 0.000 0.444 42 A N 0.300 122.993 122.820 -0.211 0.000 1.884 42 A HA -0.235 4.083 4.320 -0.003 0.000 0.219 42 A C 2.267 179.740 177.584 -0.186 0.000 1.197 42 A CA 2.456 54.378 52.037 -0.192 0.000 0.637 42 A CB -0.756 18.137 19.000 -0.178 0.000 0.827 42 A HN 0.519 nan 8.150 nan 0.000 0.450 43 L N -1.076 120.035 121.223 -0.187 0.000 1.994 43 L HA -0.227 4.111 4.340 -0.003 0.000 0.208 43 L C 3.171 179.972 176.870 -0.115 0.000 1.071 43 L CA 1.234 55.966 54.840 -0.181 0.000 0.745 43 L CB -0.862 41.082 42.059 -0.191 0.000 0.892 43 L HN 0.472 nan 8.230 nan 0.000 0.431 44 A N 0.270 123.030 122.820 -0.100 0.000 1.903 44 A HA -0.270 4.048 4.320 -0.003 0.000 0.219 44 A C 2.377 179.948 177.584 -0.022 0.000 1.191 44 A CA 1.983 53.991 52.037 -0.049 0.000 0.638 44 A CB -0.656 18.309 19.000 -0.058 0.000 0.823 44 A HN 0.353 nan 8.150 nan 0.000 0.451 45 R N -0.763 119.685 120.500 -0.086 0.000 2.152 45 R HA -0.007 4.331 4.340 -0.003 0.000 0.232 45 R C 1.503 177.796 176.300 -0.011 0.000 1.117 45 R CA 1.152 57.182 56.100 -0.116 0.000 0.981 45 R CB -0.354 29.655 30.300 -0.485 0.000 0.870 45 R HN 0.520 nan 8.270 nan 0.000 0.451 46 L N -0.741 120.480 121.223 -0.003 0.000 2.591 46 L HA 0.148 4.486 4.340 -0.003 0.000 0.228 46 L C 1.135 178.140 176.870 0.227 0.000 1.133 46 L CA 0.559 55.469 54.840 0.118 0.000 0.880 46 L CB 0.244 42.359 42.059 0.093 0.000 1.033 46 L HN 0.491 nan 8.230 nan 0.000 0.450 47 G N -0.114 108.777 108.800 0.151 0.000 2.179 47 G HA2 -0.237 3.722 3.960 -0.003 0.000 0.220 47 G HA3 -0.237 3.722 3.960 -0.003 0.000 0.220 47 G C 0.255 175.251 174.900 0.160 0.000 0.990 47 G CA -0.082 45.120 45.100 0.171 0.000 0.646 47 G HN 0.075 nan 8.290 nan 0.000 0.517 48 V N 1.515 121.483 119.914 0.091 0.000 2.555 48 V HA 0.276 4.395 4.120 -0.003 0.000 0.286 48 V C 0.946 177.047 176.094 0.012 0.000 1.044 48 V CA 0.001 62.310 62.300 0.016 0.000 1.026 48 V CB 1.290 33.029 31.823 -0.141 0.000 0.981 48 V HN 0.308 nan 8.190 nan 0.000 0.480 49 K N 3.882 124.299 120.400 0.028 0.000 2.315 49 K HA 0.419 4.737 4.320 -0.003 0.000 0.291 49 K C -0.549 176.053 176.600 0.003 0.000 1.074 49 K CA 0.078 56.382 56.287 0.028 0.000 0.936 49 K CB 1.080 33.606 32.500 0.042 0.000 1.049 49 K HN 0.486 nan 8.250 nan 0.000 0.471 50 V N 1.840 121.757 119.914 0.004 0.000 2.962 50 V HA 0.796 4.914 4.120 -0.003 0.000 0.313 50 V C -0.614 175.502 176.094 0.036 0.000 1.099 50 V CA -0.492 61.806 62.300 -0.004 0.000 0.971 50 V CB 2.104 33.913 31.823 -0.024 0.000 1.028 50 V HN 0.790 nan 8.190 nan 0.000 0.430 51 G N 3.413 112.235 108.800 0.036 0.000 2.495 51 G HA2 0.662 4.620 3.960 -0.003 0.000 0.318 51 G HA3 0.662 4.620 3.960 -0.003 0.000 0.318 51 G C -1.869 173.143 174.900 0.187 0.000 1.257 51 G CA -0.541 44.643 45.100 0.139 0.000 0.962 51 G HN 0.720 nan 8.290 nan 0.000 0.483 52 F N 2.271 122.271 119.950 0.082 0.000 2.480 52 F HA 0.720 5.245 4.527 -0.003 0.000 0.329 52 F C -0.604 175.319 175.800 0.205 0.000 1.091 52 F CA -0.925 57.117 58.000 0.071 0.000 0.972 52 F CB 2.327 41.293 39.000 -0.058 0.000 1.150 52 F HN 0.338 nan 8.300 nan 0.000 0.467 53 V N 4.680 124.148 119.914 -0.743 0.000 2.531 53 V HA 0.945 5.063 4.120 -0.003 0.000 0.301 53 V C -0.062 175.629 176.094 -0.672 0.000 1.034 53 V CA -0.134 61.939 62.300 -0.379 0.000 0.865 53 V CB 0.905 32.642 31.823 -0.143 0.000 0.995 53 V HN 1.148 nan 8.190 nan 0.000 0.424 54 G N 4.208 112.920 108.800 -0.148 0.000 2.322 54 G HA2 0.583 4.542 3.960 -0.003 0.000 0.295 54 G HA3 0.583 4.542 3.960 -0.003 0.000 0.295 54 G C -2.078 172.756 174.900 -0.111 0.000 1.369 54 G CA -0.882 44.178 45.100 -0.067 0.000 0.821 54 G HN 0.425 nan 8.290 nan 0.000 0.536 55 R N -1.095 119.330 120.500 -0.125 0.000 2.854 55 R HA 0.874 5.213 4.340 -0.003 0.000 0.271 55 R C -0.279 175.934 176.300 -0.144 0.000 0.994 55 R CA -0.662 55.269 56.100 -0.282 0.000 0.945 55 R CB 1.407 31.581 30.300 -0.211 0.000 1.194 55 R HN 1.500 nan 8.270 nan 0.000 0.476 56 V N -2.476 117.323 119.914 -0.191 0.000 3.188 56 V HA 0.857 4.976 4.120 -0.003 0.000 0.305 56 V C 0.281 176.329 176.094 -0.077 0.000 1.232 56 V CA -0.966 61.301 62.300 -0.055 0.000 1.043 56 V CB 1.850 33.723 31.823 0.084 0.000 1.068 56 V HN 0.755 nan 8.190 nan 0.000 0.439 57 G N -0.121 108.657 108.800 -0.037 0.000 2.651 57 G HA2 0.435 4.393 3.960 -0.003 0.000 0.260 57 G HA3 0.435 4.393 3.960 -0.003 0.000 0.260 57 G C -0.056 174.852 174.900 0.014 0.000 1.216 57 G CA -0.416 44.678 45.100 -0.009 0.000 0.913 57 G HN 0.930 nan 8.290 nan 0.000 0.535 58 E N 0.535 120.749 120.200 0.025 0.000 2.368 58 E HA 0.126 4.474 4.350 -0.003 0.000 0.283 58 E C -0.588 176.038 176.600 0.042 0.000 1.476 58 E CA -0.271 56.144 56.400 0.024 0.000 1.786 58 E CB 0.090 29.799 29.700 0.015 0.000 1.518 58 E HN 0.545 nan 8.360 nan 0.000 0.456 59 D N -1.438 118.996 120.400 0.057 0.000 2.467 59 D HA 0.104 4.742 4.640 -0.003 0.000 0.245 59 D C 0.910 177.242 176.300 0.055 0.000 1.038 59 D CA -0.705 53.331 54.000 0.061 0.000 1.038 59 D CB 0.679 41.532 40.800 0.088 0.000 1.278 59 D HN -0.242 nan 8.370 nan 0.000 0.564 60 E N -0.169 120.058 120.200 0.044 0.000 2.160 60 E HA -0.087 4.261 4.350 -0.003 0.000 0.195 60 E C 1.960 178.587 176.600 0.045 0.000 0.991 60 E CA 0.701 57.123 56.400 0.036 0.000 0.810 60 E CB -0.134 29.578 29.700 0.021 0.000 0.742 60 E HN 0.486 nan 8.360 nan 0.000 0.466 61 L N 0.127 121.383 121.223 0.056 0.000 2.109 61 L HA -0.066 4.273 4.340 -0.003 0.000 0.207 61 L C 2.504 179.426 176.870 0.086 0.000 1.086 61 L CA 1.103 55.983 54.840 0.065 0.000 0.760 61 L CB -0.702 41.404 42.059 0.078 0.000 0.910 61 L HN 0.176 nan 8.230 nan 0.000 0.437 62 G N -0.230 108.626 108.800 0.093 0.000 2.433 62 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.216 62 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.216 62 G C 1.794 176.771 174.900 0.127 0.000 1.186 62 G CA 0.806 45.976 45.100 0.116 0.000 0.779 62 G HN 0.445 nan 8.290 nan 0.000 0.543 63 A N 0.609 123.485 122.820 0.093 0.000 1.927 63 A HA -0.168 4.150 4.320 -0.003 0.000 0.220 63 A C 2.367 180.001 177.584 0.083 0.000 1.185 63 A CA 2.261 54.350 52.037 0.086 0.000 0.639 63 A CB -0.470 18.565 19.000 0.058 0.000 0.820 63 A HN 0.451 nan 8.150 nan 0.000 0.451 64 M N -0.194 119.448 119.600 0.070 0.000 2.117 64 M HA -0.141 4.337 4.480 -0.003 0.000 0.262 64 M C 1.933 178.270 176.300 0.062 0.000 1.065 64 M CA 2.145 57.478 55.300 0.055 0.000 1.114 64 M CB -0.298 32.327 32.600 0.042 0.000 1.361 64 M HN 0.248 nan 8.290 nan 0.000 0.408 65 V N 0.762 120.728 119.914 0.088 0.000 2.255 65 V HA -0.315 3.803 4.120 -0.003 0.000 0.247 65 V C 2.240 178.350 176.094 0.026 0.000 1.051 65 V CA 2.500 64.841 62.300 0.069 0.000 1.018 65 V CB -1.239 30.673 31.823 0.148 0.000 0.641 65 V HN 0.623 nan 8.190 nan 0.000 0.445 66 E N 0.338 120.612 120.200 0.124 0.000 2.049 66 E HA -0.290 4.058 4.350 -0.003 0.000 0.198 66 E C 2.199 178.823 176.600 0.040 0.000 1.007 66 E CA 2.005 58.477 56.400 0.120 0.000 0.809 66 E CB -0.204 29.647 29.700 0.251 0.000 0.749 66 E HN 0.711 nan 8.360 nan 0.000 0.450 67 E N -0.131 120.100 120.200 0.051 0.000 2.049 67 E HA -0.286 4.062 4.350 -0.003 0.000 0.198 67 E C 2.259 178.868 176.600 0.015 0.000 1.007 67 E CA 1.384 57.804 56.400 0.034 0.000 0.809 67 E CB -0.209 29.512 29.700 0.035 0.000 0.749 67 E HN 0.080 nan 8.360 nan 0.000 0.450 68 R N 1.509 122.015 120.500 0.011 0.000 2.094 68 R HA -0.156 4.182 4.340 -0.003 0.000 0.239 68 R C 2.178 178.454 176.300 -0.039 0.000 1.137 68 R CA 1.537 57.642 56.100 0.008 0.000 0.943 68 R CB -0.908 29.408 30.300 0.027 0.000 0.850 68 R HN 0.183 nan 8.270 nan 0.000 0.433 69 L N -0.119 121.037 121.223 -0.111 0.000 2.012 69 L HA -0.139 4.199 4.340 -0.003 0.000 0.210 69 L C 2.860 179.674 176.870 -0.094 0.000 1.073 69 L CA 1.969 56.703 54.840 -0.177 0.000 0.748 69 L CB -0.462 41.396 42.059 -0.336 0.000 0.891 69 L HN 0.277 nan 8.230 nan 0.000 0.431 70 R N -0.042 120.427 120.500 -0.053 0.000 2.081 70 R HA -0.172 4.167 4.340 -0.003 0.000 0.235 70 R C 2.348 178.651 176.300 0.005 0.000 1.131 70 R CA 1.517 57.612 56.100 -0.008 0.000 0.960 70 R CB -0.282 30.029 30.300 0.018 0.000 0.856 70 R HN 0.364 nan 8.270 nan 0.000 0.436 71 A N 0.728 123.554 122.820 0.009 0.000 1.933 71 A HA -0.139 4.179 4.320 -0.003 0.000 0.218 71 A C 1.754 179.359 177.584 0.034 0.000 1.175 71 A CA 1.446 53.498 52.037 0.025 0.000 0.628 71 A CB -0.324 18.696 19.000 0.033 0.000 0.814 71 A HN 0.314 nan 8.150 nan 0.000 0.444 72 E N -1.355 118.857 120.200 0.019 0.000 2.418 72 E HA 0.072 4.420 4.350 -0.003 0.000 0.197 72 E C 1.285 177.899 176.600 0.023 0.000 1.026 72 E CA 0.808 57.225 56.400 0.029 0.000 0.862 72 E CB -0.210 29.478 29.700 -0.020 0.000 0.799 72 E HN 0.858 nan 8.360 nan 0.000 0.518 73 G N 0.767 109.575 108.800 0.014 0.000 2.134 73 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.209 73 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.209 73 G C 0.331 175.240 174.900 0.015 0.000 0.993 73 G CA 0.239 45.352 45.100 0.023 0.000 0.669 73 G HN 0.139 nan 8.290 nan 0.000 0.519 74 V N 0.670 120.578 119.914 -0.009 0.000 2.686 74 V HA 0.381 4.500 4.120 -0.003 0.000 0.295 74 V C 0.750 176.870 176.094 0.044 0.000 1.055 74 V CA 0.009 62.309 62.300 0.000 0.000 1.050 74 V CB 1.583 33.375 31.823 -0.052 0.000 0.984 74 V HN 0.394 nan 8.190 nan 0.000 0.482 75 D N 3.438 123.894 120.400 0.092 0.000 2.339 75 D HA 0.225 4.863 4.640 -0.003 0.000 0.256 75 D C 0.514 176.922 176.300 0.179 0.000 1.214 75 D CA 0.051 54.136 54.000 0.141 0.000 0.877 75 D CB 0.559 41.481 40.800 0.204 0.000 1.111 75 D HN 0.461 nan 8.370 nan 0.000 0.478 76 L N 3.297 124.603 121.223 0.139 0.000 2.872 76 L HA 0.143 4.481 4.340 -0.003 0.000 0.245 76 L C 1.856 178.797 176.870 0.119 0.000 1.211 76 L CA -0.293 54.664 54.840 0.196 0.000 1.013 76 L CB -0.148 42.035 42.059 0.207 0.000 1.326 76 L HN 0.412 nan 8.230 nan 0.000 0.525 77 T N -0.836 113.711 114.554 -0.011 0.000 2.649 77 T HA -0.217 4.131 4.350 -0.003 0.000 0.268 77 T C 1.140 175.543 174.700 -0.496 0.000 1.036 77 T CA 1.600 63.516 62.100 -0.306 0.000 1.157 77 T CB -0.245 68.311 68.868 -0.521 0.000 0.861 77 T HN 0.424 nan 8.240 nan 0.000 0.445 78 H N -1.047 117.940 119.070 -0.138 0.000 2.490 78 H HA 0.366 4.920 4.556 -0.003 0.000 0.285 78 H C -0.953 174.430 175.328 0.093 0.000 1.127 78 H CA -0.448 55.573 56.048 -0.045 0.000 0.993 78 H CB -0.242 29.474 29.762 -0.077 0.000 1.653 78 H HN 0.271 nan 8.280 nan 0.000 0.557 79 F N 2.056 122.031 119.950 0.042 0.000 2.540 79 F HA 0.509 5.034 4.527 -0.003 0.000 0.317 79 F C -0.533 175.298 175.800 0.052 0.000 1.104 79 F CA -0.842 57.203 58.000 0.074 0.000 0.913 79 F CB 1.404 40.501 39.000 0.161 0.000 1.170 79 F HN 0.144 nan 8.300 nan 0.000 0.450 80 R N 3.809 123.832 120.500 -0.795 0.000 2.728 80 R HA 0.531 4.869 4.340 -0.003 0.000 0.274 80 R C -1.918 174.071 176.300 -0.519 0.000 1.032 80 R CA -1.202 54.623 56.100 -0.458 0.000 0.866 80 R CB 1.178 31.360 30.300 -0.196 0.000 1.263 80 R HN 0.709 nan 8.270 nan 0.000 0.475 81 R N 0.632 120.985 120.500 -0.244 0.000 2.357 81 R HA 0.684 5.022 4.340 -0.003 0.000 0.296 81 R C -0.716 175.510 176.300 -0.123 0.000 1.052 81 R CA 0.102 56.109 56.100 -0.155 0.000 0.988 81 R CB 1.783 32.055 30.300 -0.047 0.000 1.025 81 R HN 0.713 nan 8.270 nan 0.000 0.469 82 A N 4.302 127.057 122.820 -0.109 0.000 2.527 82 A HA 0.648 4.966 4.320 -0.003 0.000 0.293 82 A C -2.626 174.928 177.584 -0.050 0.000 1.117 82 A CA -2.080 49.908 52.037 -0.081 0.000 0.723 82 A CB 1.379 20.318 19.000 -0.102 0.000 1.313 82 A HN 0.435 nan 8.150 nan 0.000 0.411 83 P HA 0.385 nan 4.420 nan 0.000 0.266 83 P C 0.646 177.946 177.300 -0.001 0.000 1.186 83 P CA 2.004 65.101 63.100 -0.006 0.000 0.767 83 P CB 0.471 32.168 31.700 -0.004 0.000 0.820 84 G N 0.973 109.799 108.800 0.044 0.000 2.362 84 G HA2 0.165 4.123 3.960 -0.003 0.000 0.517 84 G HA3 0.165 4.123 3.960 -0.003 0.000 0.517 84 G C -1.259 173.734 174.900 0.155 0.000 1.256 84 G CA -0.455 44.698 45.100 0.090 0.000 1.027 84 G HN 0.551 nan 8.290 nan 0.000 0.491 85 F N -1.424 118.536 119.950 0.016 0.000 2.618 85 F HA 0.901 5.426 4.527 -0.003 0.000 0.332 85 F C 0.155 175.981 175.800 0.043 0.000 1.061 85 F CA -0.722 57.295 58.000 0.029 0.000 0.974 85 F CB 1.552 40.573 39.000 0.035 0.000 1.310 85 F HN 0.537 nan 8.300 nan 0.000 0.491 86 T N 1.194 115.835 114.554 0.145 0.000 2.767 86 T HA 0.536 4.884 4.350 -0.003 0.000 0.284 86 T C 0.324 175.126 174.700 0.170 0.000 0.973 86 T CA -0.359 61.774 62.100 0.054 0.000 0.996 86 T CB 1.086 70.024 68.868 0.116 0.000 0.927 86 T HN 1.024 nan 8.240 nan 0.000 0.456 87 G N 2.289 111.123 108.800 0.057 0.000 2.491 87 G HA2 0.509 4.467 3.960 -0.003 0.000 0.242 87 G HA3 0.509 4.467 3.960 -0.003 0.000 0.242 87 G C -0.553 174.516 174.900 0.283 0.000 1.266 87 G CA -0.330 44.901 45.100 0.219 0.000 0.844 87 G HN 0.725 nan 8.290 nan 0.000 0.571 88 L N -0.165 121.274 121.223 0.360 0.000 2.403 88 L HA 0.955 5.293 4.340 -0.003 0.000 0.253 88 L C -0.962 176.174 176.870 0.443 0.000 1.045 88 L CA -1.778 53.252 54.840 0.318 0.000 0.845 88 L CB 1.755 43.921 42.059 0.179 0.000 1.447 88 L HN 0.804 nan 8.230 nan 0.000 0.411 89 Y N -0.495 119.905 120.300 0.167 0.000 2.609 89 Y HA 0.848 5.397 4.550 -0.002 0.000 0.336 89 Y C -2.237 173.720 175.900 0.094 0.000 1.129 89 Y CA -1.528 56.652 58.100 0.134 0.000 1.040 89 Y CB 1.208 39.623 38.460 -0.076 0.000 1.310 89 Y HN 0.612 nan 8.280 nan 0.000 0.460 90 L N 3.793 125.132 121.223 0.193 0.000 2.329 90 L HA 0.685 5.024 4.340 -0.003 0.000 0.279 90 L C -0.010 176.992 176.870 0.219 0.000 1.014 90 L CA -0.607 54.283 54.840 0.083 0.000 0.814 90 L CB 1.794 43.946 42.059 0.156 0.000 1.257 90 L HN 0.841 nan 8.230 nan 0.000 0.424 91 R N 1.550 122.092 120.500 0.070 0.000 2.902 91 R HA 0.768 5.106 4.340 -0.003 0.000 0.258 91 R C -1.233 175.080 176.300 0.021 0.000 1.071 91 R CA -0.651 55.522 56.100 0.121 0.000 1.024 91 R CB 1.735 32.122 30.300 0.145 0.000 1.184 91 R HN 0.772 nan 8.270 nan 0.000 0.492 92 E N 1.903 122.094 120.200 -0.014 0.000 2.506 92 E HA 0.101 4.450 4.350 -0.003 0.000 0.308 92 E C -2.016 174.523 176.600 -0.102 0.000 0.931 92 E CA -0.605 55.705 56.400 -0.150 0.000 0.800 92 E CB 0.902 30.598 29.700 -0.008 0.000 1.292 92 E HN 0.573 nan 8.360 nan 0.000 0.401 93 Y N 3.300 123.584 120.300 -0.026 0.000 2.342 93 Y HA 0.501 5.049 4.550 -0.003 0.000 0.338 93 Y C -0.071 175.786 175.900 -0.072 0.000 0.965 93 Y CA -1.258 56.817 58.100 -0.042 0.000 1.159 93 Y CB 0.586 39.033 38.460 -0.022 0.000 1.157 93 Y HN 0.284 nan 8.280 nan 0.000 0.486 94 L N 5.486 126.742 121.223 0.053 0.000 2.452 94 L HA 0.186 4.524 4.340 -0.003 0.000 0.267 94 L C -1.260 175.649 176.870 0.065 0.000 1.188 94 L CA -1.687 53.145 54.840 -0.013 0.000 0.821 94 L CB 0.889 42.912 42.059 -0.059 0.000 1.102 94 L HN 0.393 nan 8.230 nan 0.000 0.470 95 P HA -0.195 nan 4.420 nan 0.000 0.214 95 P C 1.428 178.758 177.300 0.049 0.000 1.169 95 P CA 1.498 64.638 63.100 0.067 0.000 0.908 95 P CB 0.177 31.919 31.700 0.071 0.000 0.791 96 L N -2.875 118.377 121.223 0.049 0.000 2.599 96 L HA 0.189 4.527 4.340 -0.003 0.000 0.230 96 L C 1.621 178.508 176.870 0.029 0.000 1.141 96 L CA 0.732 55.594 54.840 0.037 0.000 0.877 96 L CB -0.819 41.264 42.059 0.041 0.000 1.009 96 L HN 0.224 nan 8.230 nan 0.000 0.447 97 G N -0.726 108.093 108.800 0.033 0.000 2.238 97 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.217 97 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.217 97 G C 0.277 175.194 174.900 0.030 0.000 0.996 97 G CA -0.485 44.631 45.100 0.026 0.000 0.632 97 G HN 0.396 nan 8.290 nan 0.000 0.503 98 Q N 1.678 121.496 119.800 0.031 0.000 2.388 98 Q HA 0.494 4.832 4.340 -0.003 0.000 0.246 98 Q C 1.065 177.074 176.000 0.016 0.000 1.246 98 Q CA 0.655 56.474 55.803 0.027 0.000 0.895 98 Q CB 0.549 29.312 28.738 0.041 0.000 1.510 98 Q HN 0.584 nan 8.270 nan 0.000 0.503 99 G N 2.145 110.958 108.800 0.021 0.000 2.562 99 G HA2 0.524 4.482 3.960 -0.003 0.000 0.275 99 G HA3 0.524 4.482 3.960 -0.003 0.000 0.275 99 G C -0.569 174.318 174.900 -0.021 0.000 1.196 99 G CA -0.504 44.607 45.100 0.018 0.000 0.908 99 G HN 0.504 nan 8.290 nan 0.000 0.524 100 R N -0.947 119.520 120.500 -0.055 0.000 2.643 100 R HA 0.513 4.851 4.340 -0.003 0.000 0.269 100 R C -1.857 174.243 176.300 -0.333 0.000 1.037 100 R CA -0.529 55.462 56.100 -0.182 0.000 0.894 100 R CB 2.432 32.644 30.300 -0.147 0.000 1.238 100 R HN 0.413 nan 8.270 nan 0.000 0.459 101 V N 3.567 123.143 119.914 -0.562 0.000 2.823 101 V HA 0.627 4.745 4.120 -0.003 0.000 0.312 101 V C -1.249 174.283 176.094 -0.936 0.000 1.072 101 V CA -0.647 61.302 62.300 -0.585 0.000 0.937 101 V CB 2.038 33.616 31.823 -0.409 0.000 1.013 101 V HN 0.555 nan 8.190 nan 0.000 0.430 102 F N 2.913 122.790 119.950 -0.120 0.000 2.507 102 F HA 0.647 5.172 4.527 -0.003 0.000 0.328 102 F C -0.488 175.260 175.800 -0.086 0.000 1.136 102 F CA -0.708 57.260 58.000 -0.053 0.000 0.930 102 F CB 1.168 40.215 39.000 0.078 0.000 1.166 102 F HN 0.318 nan 8.300 nan 0.000 0.436 103 Y N 1.484 121.839 120.300 0.092 0.000 2.403 103 Y HA 0.494 5.042 4.550 -0.003 0.000 0.323 103 Y C -0.634 175.188 175.900 -0.130 0.000 1.226 103 Y CA -0.844 57.310 58.100 0.091 0.000 1.235 103 Y CB 1.124 39.588 38.460 0.007 0.000 1.248 103 Y HN 0.482 nan 8.280 nan 0.000 0.489 104 Y N 1.084 121.598 120.300 0.356 0.000 2.640 104 Y HA 0.268 4.817 4.550 -0.002 0.000 0.295 104 Y C 0.382 176.492 175.900 0.349 0.000 1.023 104 Y CA -0.739 57.522 58.100 0.268 0.000 1.163 104 Y CB 0.559 39.134 38.460 0.192 0.000 1.145 104 Y HN 0.600 nan 8.280 nan 0.000 0.609 105 R N -1.034 119.711 120.500 0.408 0.000 2.544 105 R HA 0.248 4.586 4.340 -0.003 0.000 0.303 105 R C 0.136 176.574 176.300 0.230 0.000 0.939 105 R CA -0.555 55.749 56.100 0.339 0.000 1.102 105 R CB 0.436 30.870 30.300 0.223 0.000 1.440 105 R HN 0.037 nan 8.270 nan 0.000 0.532 106 K N 1.788 122.319 120.400 0.219 0.000 2.436 106 K HA 0.087 4.406 4.320 -0.003 0.000 0.282 106 K C 0.312 177.059 176.600 0.245 0.000 1.044 106 K CA 1.479 57.850 56.287 0.139 0.000 1.028 106 K CB 0.263 32.813 32.500 0.084 0.000 0.919 106 K HN 0.478 nan 8.250 nan 0.000 0.474 107 G N 2.609 111.467 108.800 0.097 0.000 2.141 107 G HA2 -0.297 3.662 3.960 -0.003 0.000 0.242 107 G HA3 -0.297 3.662 3.960 -0.003 0.000 0.242 107 G C -0.004 174.833 174.900 -0.104 0.000 0.982 107 G CA 0.359 45.518 45.100 0.099 0.000 0.662 107 G HN 0.835 nan 8.290 nan 0.000 0.527 108 S N -0.313 115.109 115.700 -0.464 0.000 2.579 108 S HA 0.668 5.137 4.470 -0.003 0.000 0.275 108 S C 1.847 176.141 174.600 -0.510 0.000 1.345 108 S CA 0.530 58.082 58.200 -1.080 0.000 1.031 108 S CB 1.721 64.423 63.200 -0.829 0.000 0.892 108 S HN 1.737 nan 8.310 nan 0.000 0.529 109 A N 2.582 125.124 122.820 -0.463 0.000 1.986 109 A HA 0.056 4.375 4.320 -0.003 0.000 0.220 109 A C 2.154 179.620 177.584 -0.197 0.000 1.171 109 A CA 1.773 53.668 52.037 -0.237 0.000 0.640 109 A CB -1.699 17.195 19.000 -0.175 0.000 0.811 109 A HN 1.192 nan 8.150 nan 0.000 0.451 110 G N -0.574 108.109 108.800 -0.195 0.000 2.484 110 G HA2 -0.035 3.923 3.960 -0.003 0.000 0.218 110 G HA3 -0.035 3.923 3.960 -0.003 0.000 0.218 110 G C 1.629 176.452 174.900 -0.129 0.000 1.130 110 G CA 1.308 46.338 45.100 -0.118 0.000 0.784 110 G HN 0.902 nan 8.290 nan 0.000 0.543 111 S N 0.077 115.683 115.700 -0.157 0.000 2.593 111 S HA 0.521 4.989 4.470 -0.003 0.000 0.217 111 S C 2.163 176.679 174.600 -0.140 0.000 0.966 111 S CA 0.832 58.948 58.200 -0.141 0.000 0.914 111 S CB 0.305 63.425 63.200 -0.133 0.000 0.776 111 S HN 0.423 nan 8.310 nan 0.000 0.523 112 A N 2.384 125.115 122.820 -0.148 0.000 1.825 112 A HA 0.312 4.631 4.320 -0.003 0.000 0.214 112 A C 1.084 178.573 177.584 -0.159 0.000 1.206 112 A CA 0.497 52.454 52.037 -0.132 0.000 0.609 112 A CB -1.066 17.858 19.000 -0.126 0.000 0.851 112 A HN 0.638 nan 8.150 nan 0.000 0.445 113 L N -0.928 120.155 121.223 -0.233 0.000 4.266 113 L HA -0.184 4.154 4.340 -0.003 0.000 0.561 113 L C 0.268 176.988 176.870 -0.249 0.000 0.996 113 L CA 0.138 54.740 54.840 -0.397 0.000 0.786 113 L CB -1.157 40.528 42.059 -0.623 0.000 0.591 113 L HN 0.621 nan 8.230 nan 0.000 0.996 114 A N 5.434 128.180 122.820 -0.124 0.000 2.384 114 A HA 0.891 5.209 4.320 -0.003 0.000 0.312 114 A C -2.473 175.214 177.584 0.173 0.000 1.113 114 A CA -1.754 50.309 52.037 0.042 0.000 0.779 114 A CB 1.374 20.348 19.000 -0.042 0.000 1.307 114 A HN 0.408 nan 8.150 nan 0.000 0.436 115 P HA 0.207 nan 4.420 nan 0.000 0.263 115 P C 0.969 177.698 177.300 -0.953 0.000 1.175 115 P CA 2.471 65.291 63.100 -0.466 0.000 0.761 115 P CB 0.450 31.851 31.700 -0.497 0.000 0.794 116 G N 2.661 110.222 108.800 -2.065 0.000 2.157 116 G HA2 -0.305 3.654 3.960 -0.003 0.000 0.248 116 G HA3 -0.305 3.654 3.960 -0.003 0.000 0.248 116 G C 1.171 175.810 174.900 -0.435 0.000 0.979 116 G CA 0.361 44.677 45.100 -1.306 0.000 0.650 116 G HN 0.682 nan 8.290 nan 0.000 0.529 117 A N -0.746 122.040 122.820 -0.057 0.000 2.093 117 A HA 0.368 4.686 4.320 -0.003 0.000 0.222 117 A C 0.944 178.691 177.584 0.271 0.000 1.162 117 A CA 2.147 54.289 52.037 0.176 0.000 0.655 117 A CB -0.507 18.656 19.000 0.272 0.000 0.805 117 A HN 1.994 nan 8.150 nan 0.000 0.461 118 F N -3.634 116.423 119.950 0.177 0.000 2.745 118 F HA 0.585 5.110 4.527 -0.003 0.000 0.316 118 F C -1.039 174.725 175.800 -0.060 0.000 1.155 118 F CA -1.765 56.180 58.000 -0.093 0.000 0.937 118 F CB 0.614 39.470 39.000 -0.240 0.000 1.361 118 F HN -0.139 nan 8.300 nan 0.000 0.472 119 D N 2.358 122.617 120.400 -0.235 0.000 2.336 119 D HA 0.286 4.924 4.640 -0.003 0.000 0.249 119 D C -1.915 174.449 176.300 0.107 0.000 1.213 119 D CA -1.927 52.047 54.000 -0.044 0.000 0.870 119 D CB 1.698 42.586 40.800 0.146 0.000 1.076 119 D HN 0.254 nan 8.370 nan 0.000 0.483 120 P HA -0.148 nan 4.420 nan 0.000 0.217 120 P C 0.733 178.166 177.300 0.221 0.000 1.148 120 P CA 0.906 64.013 63.100 0.011 0.000 0.834 120 P CB 0.300 31.957 31.700 -0.072 0.000 0.783 121 D N -2.200 118.320 120.400 0.201 0.000 2.309 121 D HA -0.185 4.453 4.640 -0.003 0.000 0.212 121 D C 1.717 178.193 176.300 0.292 0.000 0.968 121 D CA 0.744 54.861 54.000 0.194 0.000 0.882 121 D CB -0.453 40.442 40.800 0.158 0.000 0.918 121 D HN 0.355 nan 8.370 nan 0.000 0.503 122 Y N 1.480 121.928 120.300 0.246 0.000 2.128 122 Y HA -0.234 4.315 4.550 -0.003 0.000 0.284 122 Y C 2.328 178.307 175.900 0.133 0.000 1.154 122 Y CA 0.839 59.075 58.100 0.226 0.000 1.149 122 Y CB -0.101 38.517 38.460 0.262 0.000 0.976 122 Y HN -0.102 nan 8.280 nan 0.000 0.505 123 L N 0.711 122.035 121.223 0.168 0.000 2.261 123 L HA -0.200 4.138 4.340 -0.003 0.000 0.216 123 L C 0.971 177.834 176.870 -0.012 0.000 1.114 123 L CA 0.733 55.564 54.840 -0.015 0.000 0.777 123 L CB -0.672 41.411 42.059 0.040 0.000 0.910 123 L HN 0.267 nan 8.230 nan 0.000 0.440 124 E N 0.114 120.344 120.200 0.050 0.000 2.465 124 E HA 0.082 4.430 4.350 -0.003 0.000 0.260 124 E C 1.162 177.771 176.600 0.014 0.000 0.980 124 E CA 0.674 57.092 56.400 0.030 0.000 0.927 124 E CB 0.369 30.103 29.700 0.055 0.000 0.934 124 E HN 0.313 nan 8.360 nan 0.000 0.459 125 G N 2.613 111.411 108.800 -0.004 0.000 2.234 125 G HA2 -0.289 3.669 3.960 -0.003 0.000 0.260 125 G HA3 -0.289 3.669 3.960 -0.003 0.000 0.260 125 G C 0.300 175.190 174.900 -0.017 0.000 0.987 125 G CA 0.213 45.310 45.100 -0.004 0.000 0.625 125 G HN 0.508 nan 8.290 nan 0.000 0.532 126 V N 2.201 122.093 119.914 -0.037 0.000 2.715 126 V HA 0.298 4.416 4.120 -0.003 0.000 0.299 126 V C 1.917 177.982 176.094 -0.049 0.000 1.054 126 V CA -0.039 62.235 62.300 -0.044 0.000 1.077 126 V CB 1.339 33.110 31.823 -0.087 0.000 0.972 126 V HN 0.315 nan 8.190 nan 0.000 0.484 127 R N 2.352 122.857 120.500 0.009 0.000 2.057 127 R HA 0.103 4.441 4.340 -0.003 0.000 0.229 127 R C -0.139 176.037 176.300 -0.206 0.000 1.136 127 R CA 1.315 57.410 56.100 -0.007 0.000 0.952 127 R CB -0.161 30.310 30.300 0.286 0.000 0.848 127 R HN 0.555 nan 8.270 nan 0.000 0.430 128 F N -0.989 118.937 119.950 -0.040 0.000 2.599 128 F HA 0.414 4.939 4.527 -0.003 0.000 0.311 128 F C -0.645 175.144 175.800 -0.018 0.000 1.076 128 F CA -1.375 56.617 58.000 -0.014 0.000 0.937 128 F CB 1.365 40.374 39.000 0.014 0.000 1.282 128 F HN -0.244 nan 8.300 nan 0.000 0.460 129 L N 2.365 123.708 121.223 0.199 0.000 2.343 129 L HA 0.519 4.857 4.340 -0.003 0.000 0.278 129 L C -1.345 175.641 176.870 0.192 0.000 0.996 129 L CA -0.325 54.582 54.840 0.113 0.000 0.831 129 L CB 0.798 42.866 42.059 0.016 0.000 1.232 129 L HN 0.689 nan 8.230 nan 0.000 0.413 130 H N 4.673 123.810 119.070 0.110 0.000 2.463 130 H HA 0.830 5.384 4.556 -0.003 0.000 0.332 130 H C -1.406 174.000 175.328 0.129 0.000 1.127 130 H CA -0.372 55.755 56.048 0.131 0.000 1.238 130 H CB 1.186 31.006 29.762 0.096 0.000 1.478 130 H HN 0.696 nan 8.280 nan 0.000 0.499 131 L N 2.436 123.216 121.223 -0.738 0.000 2.409 131 L HA 0.436 4.775 4.340 -0.003 0.000 0.255 131 L C -0.640 175.959 176.870 -0.452 0.000 1.027 131 L CA -1.063 53.540 54.840 -0.396 0.000 0.834 131 L CB 2.261 44.277 42.059 -0.073 0.000 1.426 131 L HN 0.606 nan 8.230 nan 0.000 0.411 132 S N -0.881 114.750 115.700 -0.116 0.000 2.536 132 S HA 0.512 4.980 4.470 -0.003 0.000 0.298 132 S C 0.775 175.380 174.600 0.008 0.000 1.083 132 S CA -0.014 58.181 58.200 -0.008 0.000 0.995 132 S CB 1.756 64.992 63.200 0.060 0.000 1.058 132 S HN 0.807 nan 8.310 nan 0.000 0.488 133 G N 2.714 111.545 108.800 0.052 0.000 2.708 133 G HA2 0.013 3.971 3.960 -0.003 0.000 0.210 133 G HA3 0.013 3.971 3.960 -0.003 0.000 0.210 133 G C 0.947 175.843 174.900 -0.007 0.000 1.141 133 G CA 0.426 45.554 45.100 0.047 0.000 0.788 133 G HN 0.751 nan 8.290 nan 0.000 0.531 134 I N 0.464 121.010 120.570 -0.041 0.000 2.333 134 I HA -0.104 4.064 4.170 -0.003 0.000 0.246 134 I C 2.893 178.878 176.117 -0.220 0.000 1.106 134 I CA 1.080 62.303 61.300 -0.127 0.000 1.411 134 I CB -0.476 37.481 38.000 -0.071 0.000 1.082 134 I HN 0.036 nan 8.210 nan 0.000 0.420 135 T N 2.272 116.746 114.554 -0.135 0.000 2.622 135 T HA -0.108 4.241 4.350 -0.003 0.000 0.266 135 T C -0.422 174.152 174.700 -0.210 0.000 1.047 135 T CA 1.724 63.753 62.100 -0.118 0.000 1.159 135 T CB -1.618 67.254 68.868 0.007 0.000 0.863 135 T HN 0.309 nan 8.240 nan 0.000 0.422 136 P HA 0.028 nan 4.420 nan 0.000 0.223 136 P C 0.998 177.879 177.300 -0.698 0.000 1.144 136 P CA 1.157 64.044 63.100 -0.354 0.000 0.783 136 P CB -0.124 31.198 31.700 -0.629 0.000 0.771 137 A N -0.540 121.666 122.820 -1.023 0.000 2.123 137 A HA 0.060 4.378 4.320 -0.003 0.000 0.214 137 A C 2.315 179.386 177.584 -0.855 0.000 1.152 137 A CA 0.290 51.334 52.037 -1.654 0.000 0.728 137 A CB -1.088 16.708 19.000 -2.007 0.000 0.814 137 A HN 0.100 nan 8.150 nan 0.000 0.464 138 L N -0.060 120.850 121.223 -0.522 0.000 1.976 138 L HA -0.039 4.299 4.340 -0.003 0.000 0.209 138 L C 1.372 178.092 176.870 -0.251 0.000 1.071 138 L CA 1.378 56.018 54.840 -0.333 0.000 0.746 138 L CB -0.657 41.261 42.059 -0.234 0.000 0.890 138 L HN 0.572 nan 8.230 nan 0.000 0.432 139 S N -3.509 112.071 115.700 -0.201 0.000 2.596 139 S HA 0.394 4.862 4.470 -0.003 0.000 0.270 139 S C -2.454 172.107 174.600 -0.065 0.000 1.155 139 S CA -1.161 56.968 58.200 -0.118 0.000 0.827 139 S CB 1.706 64.855 63.200 -0.085 0.000 1.130 139 S HN -0.257 nan 8.310 nan 0.000 0.467 140 P HA -0.029 nan 4.420 nan 0.000 0.219 140 P C 0.849 178.183 177.300 0.057 0.000 1.146 140 P CA 1.234 64.357 63.100 0.038 0.000 0.808 140 P CB 0.074 31.797 31.700 0.039 0.000 0.779 141 E N -0.132 120.084 120.200 0.028 0.000 2.017 141 E HA -0.160 4.189 4.350 -0.003 0.000 0.193 141 E C 2.163 178.826 176.600 0.104 0.000 0.997 141 E CA 1.673 58.098 56.400 0.041 0.000 0.804 141 E CB -1.479 28.215 29.700 -0.009 0.000 0.757 141 E HN 0.077 nan 8.360 nan 0.000 0.448 142 A N 1.137 123.989 122.820 0.053 0.000 1.859 142 A HA -0.327 3.991 4.320 -0.003 0.000 0.217 142 A C 2.220 179.939 177.584 0.226 0.000 1.198 142 A CA 2.508 54.606 52.037 0.100 0.000 0.629 142 A CB -0.794 18.184 19.000 -0.036 0.000 0.830 142 A HN 0.215 nan 8.150 nan 0.000 0.446 143 R N -0.310 120.276 120.500 0.143 0.000 2.134 143 R HA -0.216 4.122 4.340 -0.003 0.000 0.248 143 R C 2.205 178.710 176.300 0.341 0.000 1.143 143 R CA 2.313 58.574 56.100 0.268 0.000 0.957 143 R CB -0.603 29.846 30.300 0.248 0.000 0.867 143 R HN 0.459 nan 8.270 nan 0.000 0.441 144 A N 0.114 123.084 122.820 0.250 0.000 1.877 144 A HA -0.163 4.155 4.320 -0.003 0.000 0.216 144 A C 2.091 179.848 177.584 0.288 0.000 1.186 144 A CA 1.371 53.541 52.037 0.221 0.000 0.620 144 A CB -0.945 18.142 19.000 0.145 0.000 0.822 144 A HN 0.576 nan 8.150 nan 0.000 0.443 145 F N 1.999 122.055 119.950 0.177 0.000 2.063 145 F HA -0.277 4.248 4.527 -0.003 0.000 0.298 145 F C 2.521 178.534 175.800 0.355 0.000 1.109 145 F CA 2.182 60.341 58.000 0.265 0.000 1.212 145 F CB -0.586 38.521 39.000 0.179 0.000 0.973 145 F HN 0.237 nan 8.300 nan 0.000 0.480 146 S N 1.622 117.521 115.700 0.331 0.000 2.369 146 S HA -0.275 4.193 4.470 -0.003 0.000 0.225 146 S C 2.072 176.732 174.600 0.100 0.000 1.043 146 S CA 2.031 60.364 58.200 0.222 0.000 1.074 146 S CB -1.064 62.385 63.200 0.414 0.000 0.962 146 S HN 0.479 nan 8.310 nan 0.000 0.433 147 L N -0.313 121.015 121.223 0.175 0.000 1.990 147 L HA -0.181 4.157 4.340 -0.003 0.000 0.213 147 L C 2.436 179.309 176.870 0.006 0.000 1.072 147 L CA 1.907 56.787 54.840 0.067 0.000 0.755 147 L CB -0.765 41.334 42.059 0.067 0.000 0.889 147 L HN 0.446 nan 8.230 nan 0.000 0.432 148 W N 1.208 122.437 121.300 -0.120 0.000 2.317 148 W HA -0.314 4.345 4.660 -0.003 0.000 0.318 148 W C 2.598 178.979 176.519 -0.231 0.000 1.227 148 W CA 2.135 59.376 57.345 -0.172 0.000 1.269 148 W CB -0.477 28.864 29.460 -0.199 0.000 1.155 148 W HN 0.155 nan 8.180 nan 0.000 0.484 149 A N 1.337 123.794 122.820 -0.604 0.000 1.873 149 A HA -0.288 4.030 4.320 -0.003 0.000 0.218 149 A C 2.187 179.465 177.584 -0.510 0.000 1.193 149 A CA 3.107 54.664 52.037 -0.800 0.000 0.629 149 A CB -1.341 17.284 19.000 -0.625 0.000 0.826 149 A HN 0.615 nan 8.150 nan 0.000 0.447 150 M N -1.794 117.635 119.600 -0.285 0.000 2.319 150 M HA 0.020 4.499 4.480 -0.003 0.000 0.265 150 M C 1.776 177.949 176.300 -0.213 0.000 1.068 150 M CA 2.113 57.302 55.300 -0.185 0.000 1.118 150 M CB -0.559 31.994 32.600 -0.080 0.000 1.395 150 M HN 0.482 nan 8.290 nan 0.000 0.435 151 E N 1.207 121.252 120.200 -0.258 0.000 2.038 151 E HA -0.257 4.091 4.350 -0.003 0.000 0.195 151 E C 1.913 178.347 176.600 -0.276 0.000 1.000 151 E CA 1.869 58.135 56.400 -0.223 0.000 0.803 151 E CB 0.046 29.623 29.700 -0.205 0.000 0.750 151 E HN 0.575 nan 8.360 nan 0.000 0.448 152 E N -0.060 119.859 120.200 -0.469 0.000 2.110 152 E HA -0.133 4.215 4.350 -0.003 0.000 0.193 152 E C 1.624 178.066 176.600 -0.263 0.000 0.988 152 E CA 1.220 57.357 56.400 -0.439 0.000 0.804 152 E CB -0.164 29.064 29.700 -0.786 0.000 0.745 152 E HN 0.344 nan 8.360 nan 0.000 0.458 153 A N 0.471 123.147 122.820 -0.239 0.000 1.897 153 A HA -0.166 4.152 4.320 -0.003 0.000 0.215 153 A C 2.083 179.589 177.584 -0.129 0.000 1.181 153 A CA 1.809 53.756 52.037 -0.149 0.000 0.620 153 A CB -0.472 18.452 19.000 -0.126 0.000 0.821 153 A HN 0.186 nan 8.150 nan 0.000 0.443 154 K N 0.118 120.438 120.400 -0.133 0.000 2.009 154 K HA -0.177 4.142 4.320 -0.003 0.000 0.210 154 K C 2.205 178.747 176.600 -0.096 0.000 1.049 154 K CA 1.880 58.103 56.287 -0.106 0.000 0.929 154 K CB -0.323 32.118 32.500 -0.098 0.000 0.714 154 K HN 0.350 nan 8.250 nan 0.000 0.440 155 R N 0.074 120.511 120.500 -0.104 0.000 2.211 155 R HA -0.110 4.228 4.340 -0.003 0.000 0.240 155 R C 1.450 177.708 176.300 -0.070 0.000 1.144 155 R CA 1.557 57.606 56.100 -0.083 0.000 0.992 155 R CB -0.011 30.233 30.300 -0.094 0.000 0.869 155 R HN 0.133 nan 8.270 nan 0.000 0.462 156 R N -1.275 119.178 120.500 -0.079 0.000 2.468 156 R HA 0.118 4.457 4.340 -0.003 0.000 0.280 156 R C 0.216 176.476 176.300 -0.066 0.000 0.963 156 R CA 0.568 56.632 56.100 -0.061 0.000 1.083 156 R CB 0.897 31.166 30.300 -0.053 0.000 1.200 156 R HN 0.413 nan 8.270 nan 0.000 0.541 157 G N 0.858 109.611 108.800 -0.078 0.000 2.221 157 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.265 157 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.265 157 G C -0.164 174.662 174.900 -0.123 0.000 1.041 157 G CA 0.287 45.333 45.100 -0.089 0.000 0.807 157 G HN 0.149 nan 8.290 nan 0.000 0.502 158 V N 1.371 121.206 119.914 -0.131 0.000 2.427 158 V HA 0.454 4.572 4.120 -0.003 0.000 0.286 158 V C 1.032 177.000 176.094 -0.209 0.000 1.034 158 V CA -1.128 61.072 62.300 -0.168 0.000 0.893 158 V CB 1.492 33.243 31.823 -0.120 0.000 0.982 158 V HN 0.361 nan 8.190 nan 0.000 0.452 159 R N 2.884 123.158 120.500 -0.377 0.000 2.489 159 R HA 0.289 4.628 4.340 -0.003 0.000 0.287 159 R C -0.731 175.495 176.300 -0.123 0.000 1.053 159 R CA -0.233 55.625 56.100 -0.404 0.000 1.036 159 R CB 1.074 30.738 30.300 -1.060 0.000 0.966 159 R HN 0.480 nan 8.270 nan 0.000 0.432 160 V N 2.690 122.597 119.914 -0.011 0.000 2.364 160 V HA 0.095 4.213 4.120 -0.003 0.000 0.272 160 V C 0.460 176.666 176.094 0.188 0.000 1.036 160 V CA -0.163 62.185 62.300 0.080 0.000 0.880 160 V CB 1.399 33.239 31.823 0.028 0.000 0.991 160 V HN 0.732 nan 8.190 nan 0.000 0.460 161 S N 5.908 121.782 115.700 0.290 0.000 2.475 161 S HA 0.804 5.272 4.470 -0.003 0.000 0.298 161 S C -1.064 173.714 174.600 0.295 0.000 1.119 161 S CA -0.583 57.859 58.200 0.403 0.000 1.085 161 S CB 1.260 64.837 63.200 0.627 0.000 1.028 161 S HN 0.634 nan 8.310 nan 0.000 0.489 162 L N 4.153 125.569 121.223 0.322 0.000 2.438 162 L HA 0.653 4.992 4.340 -0.003 0.000 0.270 162 L C -1.465 175.629 176.870 0.373 0.000 0.972 162 L CA -0.303 54.655 54.840 0.197 0.000 0.831 162 L CB 2.088 44.243 42.059 0.160 0.000 1.273 162 L HN 0.661 nan 8.230 nan 0.000 0.405 163 D N 4.020 124.604 120.400 0.307 0.000 2.412 163 D HA 0.235 4.873 4.640 -0.003 0.000 0.224 163 D C 1.137 177.567 176.300 0.215 0.000 1.093 163 D CA -0.249 53.959 54.000 0.345 0.000 0.850 163 D CB 1.561 42.536 40.800 0.292 0.000 1.046 163 D HN 0.433 nan 8.370 nan 0.000 0.507 164 V N 3.997 124.042 119.914 0.218 0.000 2.226 164 V HA -0.347 3.771 4.120 -0.003 0.000 0.254 164 V C 0.940 177.147 176.094 0.187 0.000 1.065 164 V CA 1.684 64.100 62.300 0.193 0.000 1.039 164 V CB -0.904 31.025 31.823 0.177 0.000 0.653 164 V HN 0.801 nan 8.190 nan 0.000 0.450 165 N N -0.169 118.632 118.700 0.170 0.000 2.642 165 N HA -0.240 4.498 4.740 -0.003 0.000 0.269 165 N C -0.567 175.054 175.510 0.185 0.000 1.073 165 N CA 0.698 53.835 53.050 0.144 0.000 0.748 165 N CB -1.025 37.522 38.487 0.100 0.000 0.894 165 N HN 0.738 nan 8.380 nan 0.000 0.548 166 Y N 1.455 121.817 120.300 0.105 0.000 2.496 166 Y HA 0.196 4.744 4.550 -0.003 0.000 0.334 166 Y C 0.379 176.354 175.900 0.126 0.000 1.080 166 Y CA -0.124 58.056 58.100 0.134 0.000 1.355 166 Y CB 0.550 39.047 38.460 0.061 0.000 1.193 166 Y HN 0.037 nan 8.280 nan 0.000 0.523 167 R N 6.586 126.777 120.500 -0.515 0.000 2.246 167 R HA 0.137 4.475 4.340 -0.003 0.000 0.332 167 R C 0.691 176.466 176.300 -0.875 0.000 0.974 167 R CA -0.315 55.473 56.100 -0.520 0.000 0.837 167 R CB 1.253 31.379 30.300 -0.290 0.000 1.145 167 R HN 0.931 nan 8.270 nan 0.000 0.467 168 Q N 0.323 119.641 119.800 -0.803 0.000 2.170 168 Q HA -0.115 4.223 4.340 -0.003 0.000 0.203 168 Q C 0.946 176.854 176.000 -0.155 0.000 0.976 168 Q CA 1.660 57.229 55.803 -0.390 0.000 0.858 168 Q CB 0.045 28.798 28.738 0.025 0.000 0.907 168 Q HN 0.482 nan 8.270 nan 0.000 0.433 169 T N 1.636 116.078 114.554 -0.187 0.000 2.720 169 T HA -0.101 4.248 4.350 -0.003 0.000 0.268 169 T C 1.825 176.419 174.700 -0.176 0.000 1.037 169 T CA 0.982 62.985 62.100 -0.163 0.000 1.144 169 T CB -0.088 68.638 68.868 -0.237 0.000 0.864 169 T HN 0.216 nan 8.240 nan 0.000 0.444 170 L N -1.091 119.996 121.223 -0.227 0.000 2.162 170 L HA 0.179 4.517 4.340 -0.003 0.000 0.205 170 L C 0.842 177.690 176.870 -0.037 0.000 1.086 170 L CA 0.286 54.969 54.840 -0.262 0.000 0.778 170 L CB -0.094 41.656 42.059 -0.514 0.000 0.928 170 L HN 0.467 nan 8.230 nan 0.000 0.446 171 W N -1.557 119.659 121.300 -0.140 0.000 2.895 171 W HA 0.474 5.132 4.660 -0.003 0.000 0.377 171 W C -0.549 176.063 176.519 0.154 0.000 1.191 171 W CA -1.943 55.401 57.345 -0.001 0.000 1.179 171 W CB -0.167 29.310 29.460 0.027 0.000 1.469 171 W HN -0.154 nan 8.180 nan 0.000 0.577 172 S N 0.043 115.925 115.700 0.303 0.000 2.617 172 S HA 0.486 4.954 4.470 -0.003 0.000 0.269 172 S C -1.863 172.697 174.600 -0.067 0.000 1.292 172 S CA -0.782 57.505 58.200 0.144 0.000 1.010 172 S CB 2.177 65.410 63.200 0.055 0.000 0.944 172 S HN 0.247 nan 8.310 nan 0.000 0.536 173 P HA -0.048 nan 4.420 nan 0.000 0.220 173 P C 0.800 177.879 177.300 -0.368 0.000 1.148 173 P CA 1.095 63.904 63.100 -0.484 0.000 0.803 173 P CB 0.052 31.490 31.700 -0.436 0.000 0.782 174 E N -0.100 119.955 120.200 -0.242 0.000 2.028 174 E HA -0.163 4.186 4.350 -0.003 0.000 0.191 174 E C 1.947 178.428 176.600 -0.199 0.000 0.988 174 E CA 1.190 57.474 56.400 -0.193 0.000 0.799 174 E CB -0.849 28.784 29.700 -0.112 0.000 0.755 174 E HN 0.356 nan 8.360 nan 0.000 0.447 175 E N 0.658 120.744 120.200 -0.190 0.000 2.058 175 E HA -0.217 4.131 4.350 -0.003 0.000 0.194 175 E C 2.072 178.360 176.600 -0.521 0.000 0.997 175 E CA 1.086 57.376 56.400 -0.184 0.000 0.801 175 E CB -0.239 29.473 29.700 0.020 0.000 0.746 175 E HN 0.276 nan 8.360 nan 0.000 0.450 176 A N 1.440 123.700 122.820 -0.933 0.000 1.865 176 A HA -0.253 4.065 4.320 -0.003 0.000 0.217 176 A C 2.096 179.474 177.584 -0.344 0.000 1.191 176 A CA 1.706 53.136 52.037 -1.013 0.000 0.623 176 A CB -0.533 18.025 19.000 -0.736 0.000 0.826 176 A HN 0.073 nan 8.150 nan 0.000 0.444 177 R N -1.107 119.223 120.500 -0.282 0.000 2.094 177 R HA -0.162 4.176 4.340 -0.003 0.000 0.239 177 R C 2.425 178.690 176.300 -0.060 0.000 1.137 177 R CA 1.563 57.568 56.100 -0.158 0.000 0.943 177 R CB -0.850 29.292 30.300 -0.263 0.000 0.850 177 R HN 0.558 nan 8.270 nan 0.000 0.433 178 G N 0.277 109.032 108.800 -0.075 0.000 2.476 178 G HA2 -0.341 3.617 3.960 -0.003 0.000 0.218 178 G HA3 -0.341 3.617 3.960 -0.003 0.000 0.218 178 G C 1.261 176.184 174.900 0.037 0.000 1.164 178 G CA 0.926 46.018 45.100 -0.013 0.000 0.768 178 G HN 0.345 nan 8.290 nan 0.000 0.560 179 F N 1.312 121.241 119.950 -0.034 0.000 2.043 179 F HA -0.105 4.421 4.527 -0.003 0.000 0.297 179 F C 2.617 178.458 175.800 0.068 0.000 1.121 179 F CA 1.660 59.705 58.000 0.073 0.000 1.199 179 F CB -0.356 38.748 39.000 0.174 0.000 0.968 179 F HN 0.065 nan 8.300 nan 0.000 0.478 180 L N 0.160 121.545 121.223 0.271 0.000 1.990 180 L HA -0.290 4.048 4.340 -0.003 0.000 0.213 180 L C 2.407 179.296 176.870 0.031 0.000 1.072 180 L CA 2.095 57.047 54.840 0.188 0.000 0.755 180 L CB -1.071 41.117 42.059 0.216 0.000 0.889 180 L HN 0.226 nan 8.230 nan 0.000 0.432 181 E N -0.475 119.743 120.200 0.030 0.000 2.171 181 E HA -0.266 4.083 4.350 -0.003 0.000 0.197 181 E C 2.319 178.888 176.600 -0.051 0.000 0.997 181 E CA 1.042 57.446 56.400 0.006 0.000 0.810 181 E CB -0.113 29.595 29.700 0.012 0.000 0.738 181 E HN 0.335 nan 8.360 nan 0.000 0.467 182 R N -0.062 120.365 120.500 -0.121 0.000 2.161 182 R HA 0.038 4.376 4.340 -0.003 0.000 0.213 182 R C 1.963 178.135 176.300 -0.213 0.000 1.055 182 R CA 0.913 56.913 56.100 -0.167 0.000 0.996 182 R CB 0.117 30.288 30.300 -0.214 0.000 0.901 182 R HN 0.115 nan 8.270 nan 0.000 0.456 183 A N 0.978 123.630 122.820 -0.280 0.000 1.924 183 A HA -0.033 4.286 4.320 -0.003 0.000 0.211 183 A C 1.850 179.395 177.584 -0.066 0.000 1.198 183 A CA 0.185 52.091 52.037 -0.218 0.000 0.657 183 A CB -0.413 18.413 19.000 -0.291 0.000 0.852 183 A HN 0.293 nan 8.150 nan 0.000 0.454 184 L N 1.098 122.306 121.223 -0.025 0.000 2.054 184 L HA -0.163 4.175 4.340 -0.003 0.000 0.220 184 L C -0.767 176.096 176.870 -0.011 0.000 1.081 184 L CA 2.823 57.664 54.840 0.002 0.000 0.780 184 L CB -1.951 40.111 42.059 0.004 0.000 0.893 184 L HN 0.153 nan 8.230 nan 0.000 0.438 185 P HA -0.140 nan 4.420 nan 0.000 0.218 185 P C 1.327 178.611 177.300 -0.027 0.000 1.154 185 P CA 2.025 65.109 63.100 -0.027 0.000 0.872 185 P CB -0.398 31.280 31.700 -0.036 0.000 0.790 186 G N -1.686 107.096 108.800 -0.030 0.000 3.141 186 G HA2 0.153 4.112 3.960 -0.003 0.000 0.218 186 G HA3 0.153 4.112 3.960 -0.003 0.000 0.218 186 G C 0.083 174.975 174.900 -0.012 0.000 1.170 186 G CA -0.022 45.059 45.100 -0.031 0.000 0.769 186 G HN 0.147 nan 8.290 nan 0.000 0.546 187 V N 1.047 120.965 119.914 0.006 0.000 2.439 187 V HA 0.281 4.399 4.120 -0.003 0.000 0.282 187 V C 0.140 176.248 176.094 0.024 0.000 1.039 187 V CA -0.480 61.839 62.300 0.031 0.000 0.913 187 V CB 1.756 33.610 31.823 0.052 0.000 0.983 187 V HN 0.119 nan 8.190 nan 0.000 0.460 188 D N 2.494 122.918 120.400 0.040 0.000 2.431 188 D HA 0.206 4.845 4.640 -0.003 0.000 0.227 188 D C -0.045 176.296 176.300 0.068 0.000 1.030 188 D CA 0.354 54.376 54.000 0.038 0.000 0.897 188 D CB 0.606 41.416 40.800 0.017 0.000 1.058 188 D HN 0.304 nan 8.370 nan 0.000 0.500 189 L N 1.170 122.454 121.223 0.101 0.000 2.406 189 L HA 0.484 4.822 4.340 -0.003 0.000 0.272 189 L C -1.872 175.007 176.870 0.015 0.000 0.980 189 L CA -0.998 53.880 54.840 0.063 0.000 0.831 189 L CB 1.786 43.949 42.059 0.172 0.000 1.253 189 L HN -0.179 nan 8.230 nan 0.000 0.406 190 L N 5.088 126.248 121.223 -0.104 0.000 2.362 190 L HA 0.673 5.011 4.340 -0.003 0.000 0.275 190 L C -1.486 175.274 176.870 -0.183 0.000 0.998 190 L CA -0.013 54.797 54.840 -0.051 0.000 0.820 190 L CB 1.534 43.590 42.059 -0.005 0.000 1.270 190 L HN 0.435 nan 8.230 nan 0.000 0.415 191 F N 6.051 126.063 119.950 0.103 0.000 2.436 191 F HA 0.701 5.226 4.527 -0.003 0.000 0.340 191 F C -0.291 175.549 175.800 0.067 0.000 1.113 191 F CA -0.524 57.533 58.000 0.095 0.000 1.022 191 F CB 1.779 40.871 39.000 0.153 0.000 1.128 191 F HN 0.385 nan 8.300 nan 0.000 0.466 192 L N 2.711 124.048 121.223 0.189 0.000 2.465 192 L HA 0.695 5.033 4.340 -0.003 0.000 0.257 192 L C -0.703 176.188 176.870 0.035 0.000 0.988 192 L CA -0.472 54.422 54.840 0.089 0.000 0.827 192 L CB 2.223 44.283 42.059 0.002 0.000 1.397 192 L HN 0.549 nan 8.230 nan 0.000 0.410 193 S N 1.687 117.397 115.700 0.016 0.000 2.638 193 S HA 0.513 4.981 4.470 -0.003 0.000 0.298 193 S C 0.586 175.157 174.600 -0.047 0.000 1.111 193 S CA -0.322 57.860 58.200 -0.030 0.000 1.027 193 S CB 1.488 64.679 63.200 -0.015 0.000 1.064 193 S HN 0.771 nan 8.310 nan 0.000 0.525 194 E N 1.073 121.225 120.200 -0.080 0.000 2.038 194 E HA -0.206 4.142 4.350 -0.003 0.000 0.195 194 E C 1.652 178.227 176.600 -0.041 0.000 1.000 194 E CA 1.925 58.276 56.400 -0.081 0.000 0.803 194 E CB -0.207 29.427 29.700 -0.110 0.000 0.750 194 E HN 0.811 nan 8.360 nan 0.000 0.448 195 E N 0.979 121.162 120.200 -0.028 0.000 2.070 195 E HA -0.218 4.130 4.350 -0.003 0.000 0.197 195 E C 1.908 178.512 176.600 0.007 0.000 1.004 195 E CA 1.401 57.797 56.400 -0.006 0.000 0.805 195 E CB -0.155 29.550 29.700 0.008 0.000 0.744 195 E HN 0.318 nan 8.360 nan 0.000 0.451 196 E N 0.395 120.608 120.200 0.022 0.000 2.058 196 E HA -0.219 4.130 4.350 -0.003 0.000 0.194 196 E C 2.149 178.769 176.600 0.034 0.000 0.997 196 E CA 1.071 57.494 56.400 0.037 0.000 0.801 196 E CB -0.249 29.496 29.700 0.075 0.000 0.746 196 E HN 0.312 nan 8.360 nan 0.000 0.450 197 A N 1.424 124.259 122.820 0.025 0.000 1.902 197 A HA -0.248 4.070 4.320 -0.003 0.000 0.217 197 A C 2.008 179.650 177.584 0.096 0.000 1.181 197 A CA 1.520 53.586 52.037 0.047 0.000 0.623 197 A CB -0.420 18.552 19.000 -0.047 0.000 0.818 197 A HN 0.168 nan 8.150 nan 0.000 0.443 198 E N -0.627 119.592 120.200 0.032 0.000 2.031 198 E HA -0.141 4.207 4.350 -0.003 0.000 0.193 198 E C 1.917 178.518 176.600 0.001 0.000 0.994 198 E CA 1.032 57.444 56.400 0.021 0.000 0.800 198 E CB -0.230 29.468 29.700 -0.003 0.000 0.752 198 E HN 0.574 nan 8.360 nan 0.000 0.447 199 L N 0.383 121.590 121.223 -0.027 0.000 2.353 199 L HA -0.152 4.186 4.340 -0.003 0.000 0.220 199 L C 1.426 178.194 176.870 -0.170 0.000 1.133 199 L CA 0.697 55.483 54.840 -0.090 0.000 0.798 199 L CB 0.222 42.223 42.059 -0.097 0.000 0.922 199 L HN 0.140 nan 8.230 nan 0.000 0.445 200 L N -3.027 118.134 121.223 -0.105 0.000 3.039 200 L HA 0.156 4.495 4.340 -0.003 0.000 0.269 200 L C 0.121 176.717 176.870 -0.456 0.000 1.169 200 L CA -0.035 54.660 54.840 -0.242 0.000 0.986 200 L CB 0.734 42.697 42.059 -0.161 0.000 1.377 200 L HN -0.029 nan 8.230 nan 0.000 0.575 201 F N -1.247 118.641 119.950 -0.104 0.000 2.936 201 F HA 0.438 4.963 4.527 -0.003 0.000 0.334 201 F C 1.557 177.321 175.800 -0.061 0.000 1.170 201 F CA 0.158 58.111 58.000 -0.077 0.000 1.104 201 F CB 0.767 39.726 39.000 -0.068 0.000 1.216 201 F HN -0.038 nan 8.300 nan 0.000 0.518 202 G N 1.159 109.979 108.800 0.034 0.000 3.548 202 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.224 202 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.224 202 G C 0.681 175.603 174.900 0.037 0.000 1.351 202 G CA 0.260 45.369 45.100 0.016 0.000 0.905 202 G HN 0.314 nan 8.290 nan 0.000 0.561 203 R N -0.623 119.918 120.500 0.068 0.000 2.750 203 R HA 0.540 4.878 4.340 -0.003 0.000 0.281 203 R C 1.338 177.662 176.300 0.040 0.000 0.972 203 R CA -0.290 55.837 56.100 0.045 0.000 0.912 203 R CB 2.070 32.393 30.300 0.038 0.000 1.187 203 R HN 0.130 nan 8.270 nan 0.000 0.464 204 V N 1.462 121.381 119.914 0.008 0.000 3.026 204 V HA -0.194 3.924 4.120 -0.003 0.000 0.265 204 V C 1.444 177.520 176.094 -0.030 0.000 1.121 204 V CA 1.668 63.951 62.300 -0.028 0.000 1.142 204 V CB -0.665 31.134 31.823 -0.040 0.000 0.730 204 V HN 0.748 nan 8.190 nan 0.000 0.503 205 E N 0.255 120.459 120.200 0.007 0.000 2.030 205 E HA -0.134 4.214 4.350 -0.003 0.000 0.189 205 E C 2.275 178.864 176.600 -0.018 0.000 0.974 205 E CA 0.861 57.270 56.400 0.015 0.000 0.807 205 E CB -0.195 29.530 29.700 0.041 0.000 0.771 205 E HN 0.478 nan 8.360 nan 0.000 0.451 206 E N 1.025 121.234 120.200 0.015 0.000 2.085 206 E HA -0.202 4.146 4.350 -0.003 0.000 0.194 206 E C 1.806 178.341 176.600 -0.108 0.000 0.994 206 E CA 1.552 57.971 56.400 0.032 0.000 0.801 206 E CB -0.465 29.321 29.700 0.143 0.000 0.743 206 E HN 0.245 nan 8.360 nan 0.000 0.453 207 A N 0.693 123.367 122.820 -0.244 0.000 1.927 207 A HA -0.228 4.090 4.320 -0.003 0.000 0.220 207 A C 2.421 179.630 177.584 -0.625 0.000 1.185 207 A CA 1.917 53.423 52.037 -0.884 0.000 0.639 207 A CB -0.959 17.703 19.000 -0.564 0.000 0.820 207 A HN 0.376 nan 8.150 nan 0.000 0.451 208 L N -1.555 119.459 121.223 -0.348 0.000 2.046 208 L HA -0.189 4.149 4.340 -0.003 0.000 0.208 208 L C 2.804 179.555 176.870 -0.198 0.000 1.077 208 L CA 1.857 56.526 54.840 -0.285 0.000 0.747 208 L CB -0.490 41.435 42.059 -0.224 0.000 0.896 208 L HN 0.470 nan 8.230 nan 0.000 0.432 209 R N 0.197 120.614 120.500 -0.139 0.000 2.066 209 R HA -0.150 4.188 4.340 -0.003 0.000 0.232 209 R C 2.357 178.606 176.300 -0.084 0.000 1.131 209 R CA 1.437 57.493 56.100 -0.073 0.000 0.955 209 R CB -0.220 30.064 30.300 -0.026 0.000 0.851 209 R HN 0.329 nan 8.270 nan 0.000 0.432 210 A N 1.050 123.792 122.820 -0.131 0.000 1.841 210 A HA -0.012 4.307 4.320 -0.003 0.000 0.214 210 A C 1.262 178.767 177.584 -0.132 0.000 1.195 210 A CA 0.870 52.856 52.037 -0.086 0.000 0.611 210 A CB -0.349 18.647 19.000 -0.006 0.000 0.835 210 A HN 0.302 nan 8.150 nan 0.000 0.443 211 L N 2.145 123.201 121.223 -0.277 0.000 2.466 211 L HA 0.183 4.521 4.340 -0.003 0.000 0.248 211 L C -0.027 176.752 176.870 -0.152 0.000 1.240 211 L CA -0.274 54.450 54.840 -0.194 0.000 1.180 211 L CB 0.071 41.977 42.059 -0.256 0.000 1.413 211 L HN 0.357 nan 8.230 nan 0.000 0.406 212 S N 0.356 116.000 115.700 -0.094 0.000 3.363 212 S HA 0.609 5.078 4.470 -0.003 0.000 0.267 212 S C 0.353 174.933 174.600 -0.034 0.000 1.288 212 S CA -0.760 57.402 58.200 -0.063 0.000 0.948 212 S CB 0.911 64.089 63.200 -0.037 0.000 1.397 212 S HN 0.450 nan 8.310 nan 0.000 0.493 213 A N 3.680 126.478 122.820 -0.037 0.000 2.286 213 A HA 0.694 5.012 4.320 -0.003 0.000 0.286 213 A C -1.122 176.465 177.584 0.006 0.000 1.097 213 A CA -2.008 50.021 52.037 -0.014 0.000 0.821 213 A CB -0.112 18.880 19.000 -0.014 0.000 1.076 213 A HN 0.488 nan 8.150 nan 0.000 0.490 214 P HA -0.176 nan 4.420 nan 0.000 0.220 214 P C 0.207 177.536 177.300 0.047 0.000 1.155 214 P CA 1.837 64.953 63.100 0.027 0.000 0.880 214 P CB 0.292 32.005 31.700 0.022 0.000 0.790 215 E N -1.124 119.102 120.200 0.042 0.000 2.278 215 E HA 0.423 4.771 4.350 -0.003 0.000 0.272 215 E C -1.822 174.775 176.600 -0.004 0.000 0.890 215 E CA -0.663 55.771 56.400 0.056 0.000 0.770 215 E CB 1.542 31.292 29.700 0.083 0.000 1.212 215 E HN -0.352 nan 8.360 nan 0.000 0.415 216 V N 4.051 123.972 119.914 0.011 0.000 2.638 216 V HA 0.468 4.586 4.120 -0.003 0.000 0.306 216 V C -0.664 175.394 176.094 -0.061 0.000 1.052 216 V CA -0.859 61.387 62.300 -0.090 0.000 0.885 216 V CB 1.843 33.579 31.823 -0.145 0.000 0.999 216 V HN 0.513 nan 8.190 nan 0.000 0.424 217 V N 5.392 125.194 119.914 -0.188 0.000 2.495 217 V HA 0.524 4.642 4.120 -0.003 0.000 0.298 217 V C -0.592 175.502 176.094 -0.001 0.000 1.031 217 V CA -0.618 61.624 62.300 -0.096 0.000 0.871 217 V CB 1.787 33.413 31.823 -0.329 0.000 0.988 217 V HN 0.679 nan 8.190 nan 0.000 0.432 218 L N 5.896 127.155 121.223 0.061 0.000 2.298 218 L HA 0.539 4.878 4.340 -0.003 0.000 0.284 218 L C 0.043 176.883 176.870 -0.050 0.000 1.013 218 L CA -0.225 54.609 54.840 -0.011 0.000 0.824 218 L CB 1.015 43.033 42.059 -0.067 0.000 1.221 218 L HN 0.564 nan 8.230 nan 0.000 0.418 219 K N 5.597 125.942 120.400 -0.091 0.000 2.322 219 K HA 0.357 4.676 4.320 -0.003 0.000 0.283 219 K C -0.378 176.093 176.600 -0.215 0.000 1.042 219 K CA -0.032 56.119 56.287 -0.226 0.000 0.958 219 K CB 0.630 32.983 32.500 -0.246 0.000 0.984 219 K HN 0.533 nan 8.250 nan 0.000 0.473 220 R N 2.418 122.766 120.500 -0.254 0.000 2.886 220 R HA 0.178 4.516 4.340 -0.003 0.000 0.306 220 R C 0.492 176.676 176.300 -0.193 0.000 1.300 220 R CA -0.284 55.665 56.100 -0.252 0.000 1.441 220 R CB 0.861 30.932 30.300 -0.383 0.000 1.328 220 R HN 0.978 nan 8.270 nan 0.000 0.629 221 G N 1.539 110.242 108.800 -0.162 0.000 2.594 221 G HA2 -0.452 3.507 3.960 -0.003 0.000 0.297 221 G HA3 -0.452 3.507 3.960 -0.003 0.000 0.297 221 G C 0.807 175.646 174.900 -0.102 0.000 1.273 221 G CA 0.277 45.305 45.100 -0.119 0.000 0.974 221 G HN 0.496 nan 8.290 nan 0.000 0.552 222 A N -0.334 122.449 122.820 -0.061 0.000 2.235 222 A HA 0.300 4.618 4.320 -0.003 0.000 0.208 222 A C 1.623 179.183 177.584 -0.039 0.000 1.172 222 A CA 1.625 53.649 52.037 -0.021 0.000 0.786 222 A CB -0.200 18.802 19.000 0.003 0.000 0.804 222 A HN 0.540 nan 8.150 nan 0.000 0.479 223 K N 0.692 121.044 120.400 -0.080 0.000 3.100 223 K HA 0.345 4.663 4.320 -0.003 0.000 0.256 223 K C 1.163 177.700 176.600 -0.104 0.000 1.146 223 K CA 0.237 56.469 56.287 -0.092 0.000 1.233 223 K CB -0.477 31.948 32.500 -0.124 0.000 1.226 223 K HN 0.511 nan 8.250 nan 0.000 0.442 224 G N 1.412 110.171 108.800 -0.068 0.000 2.556 224 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.283 224 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.283 224 G C -0.271 174.584 174.900 -0.075 0.000 1.177 224 G CA -0.301 44.783 45.100 -0.027 0.000 0.978 224 G HN 0.703 nan 8.290 nan 0.000 0.554 225 A N -2.982 119.823 122.820 -0.024 0.000 2.489 225 A HA 0.578 4.897 4.320 -0.003 0.000 0.293 225 A C -1.952 175.764 177.584 0.219 0.000 1.004 225 A CA 0.359 52.362 52.037 -0.057 0.000 0.626 225 A CB 0.382 19.393 19.000 0.019 0.000 1.345 225 A HN 1.732 nan 8.150 nan 0.000 0.447 226 W N -0.181 121.214 121.300 0.157 0.000 2.819 226 W HA 0.740 5.398 4.660 -0.003 0.000 0.337 226 W C 0.088 176.786 176.519 0.298 0.000 1.077 226 W CA -0.843 56.630 57.345 0.213 0.000 1.226 226 W CB 1.943 31.614 29.460 0.351 0.000 1.419 226 W HN 1.304 nan 8.180 nan 0.000 0.502 227 A N 3.080 126.121 122.820 0.369 0.000 2.304 227 A HA 0.858 5.176 4.320 -0.003 0.000 0.323 227 A C -1.608 176.091 177.584 0.192 0.000 1.195 227 A CA -0.522 51.688 52.037 0.289 0.000 0.826 227 A CB 0.376 19.486 19.000 0.183 0.000 1.184 227 A HN 0.451 nan 8.150 nan 0.000 0.496 228 F N 2.850 122.820 119.950 0.033 0.000 2.359 228 F HA 0.483 5.009 4.527 -0.003 0.000 0.369 228 F C -0.213 175.594 175.800 0.011 0.000 1.084 228 F CA -0.574 57.436 58.000 0.016 0.000 1.096 228 F CB 1.777 40.783 39.000 0.011 0.000 1.335 228 F HN 0.384 nan 8.300 nan 0.000 0.457 229 V N -0.711 119.256 119.914 0.087 0.000 2.760 229 V HA 0.454 4.572 4.120 -0.003 0.000 0.309 229 V C -0.936 175.172 176.094 0.024 0.000 1.077 229 V CA -1.517 60.826 62.300 0.072 0.000 0.910 229 V CB 1.714 33.584 31.823 0.079 0.000 1.008 229 V HN 0.594 nan 8.190 nan 0.000 0.424 230 D N 2.650 123.067 120.400 0.028 0.000 2.737 230 D HA -0.124 4.514 4.640 -0.003 0.000 0.238 230 D C 1.416 177.711 176.300 -0.008 0.000 1.157 230 D CA 1.869 55.874 54.000 0.008 0.000 0.694 230 D CB -1.350 39.451 40.800 0.001 0.000 1.021 230 D HN 1.871 nan 8.370 nan 0.000 0.420 231 G N -0.399 108.404 108.800 0.006 0.000 2.230 231 G HA2 -0.438 3.520 3.960 -0.003 0.000 0.270 231 G HA3 -0.438 3.520 3.960 -0.003 0.000 0.270 231 G C 0.566 175.425 174.900 -0.068 0.000 0.987 231 G CA 1.080 46.175 45.100 -0.009 0.000 0.664 231 G HN 0.730 nan 8.290 nan 0.000 0.539 232 R N -0.174 120.270 120.500 -0.094 0.000 2.549 232 R HA 0.664 5.003 4.340 -0.003 0.000 0.267 232 R C 0.103 176.205 176.300 -0.331 0.000 1.045 232 R CA -0.861 55.139 56.100 -0.167 0.000 1.115 232 R CB 0.446 30.680 30.300 -0.111 0.000 1.121 232 R HN 0.222 nan 8.270 nan 0.000 0.543 233 R N 2.250 122.481 120.500 -0.449 0.000 2.639 233 R HA 0.230 4.568 4.340 -0.003 0.000 0.273 233 R C -0.999 174.990 176.300 -0.518 0.000 1.732 233 R CA -0.522 55.114 56.100 -0.773 0.000 1.586 233 R CB 1.484 31.136 30.300 -1.080 0.000 1.263 233 R HN 0.266 nan 8.270 nan 0.000 0.615 234 V N 1.531 121.278 119.914 -0.278 0.000 2.715 234 V HA 0.050 4.168 4.120 -0.003 0.000 0.299 234 V C 0.749 176.816 176.094 -0.044 0.000 1.054 234 V CA 0.093 62.312 62.300 -0.136 0.000 1.077 234 V CB 1.332 33.143 31.823 -0.019 0.000 0.972 234 V HN 0.544 nan 8.190 nan 0.000 0.484 235 E N 2.188 122.390 120.200 0.003 0.000 2.204 235 E HA 0.593 4.941 4.350 -0.003 0.000 0.276 235 E C 0.071 176.801 176.600 0.217 0.000 0.974 235 E CA -0.447 56.098 56.400 0.240 0.000 0.815 235 E CB 1.652 31.478 29.700 0.211 0.000 1.119 235 E HN 0.821 nan 8.360 nan 0.000 0.393 236 G N 1.243 110.206 108.800 0.271 0.000 2.461 236 G HA2 0.210 4.168 3.960 -0.003 0.000 0.329 236 G HA3 0.210 4.168 3.960 -0.003 0.000 0.329 236 G C -0.623 174.342 174.900 0.109 0.000 1.170 236 G CA -0.631 44.589 45.100 0.201 0.000 0.935 236 G HN 0.443 nan 8.290 nan 0.000 0.492 237 S N -0.352 115.379 115.700 0.052 0.000 2.525 237 S HA 0.444 4.912 4.470 -0.003 0.000 0.285 237 S C 0.817 175.248 174.600 -0.282 0.000 1.283 237 S CA -0.083 58.023 58.200 -0.157 0.000 1.072 237 S CB -0.247 62.790 63.200 -0.272 0.000 0.867 237 S HN 1.049 nan 8.310 nan 0.000 0.492 238 A N 4.790 127.435 122.820 -0.291 0.000 2.351 238 A HA 0.642 4.960 4.320 -0.003 0.000 0.257 238 A C -0.607 176.701 177.584 -0.460 0.000 1.087 238 A CA -0.286 51.617 52.037 -0.224 0.000 0.798 238 A CB 0.096 19.023 19.000 -0.122 0.000 1.033 238 A HN 0.822 nan 8.150 nan 0.000 0.488 239 F N 0.565 120.519 119.950 0.007 0.000 2.477 239 F HA 0.497 5.022 4.527 -0.003 0.000 0.335 239 F C 0.820 176.618 175.800 -0.003 0.000 1.130 239 F CA -0.226 57.779 58.000 0.009 0.000 0.948 239 F CB 2.221 41.230 39.000 0.015 0.000 1.154 239 F HN 0.627 nan 8.300 nan 0.000 0.439 240 A N 3.980 126.921 122.820 0.200 0.000 2.840 240 A HA 0.430 4.748 4.320 -0.003 0.000 0.269 240 A C -0.394 177.257 177.584 0.111 0.000 1.439 240 A CA -0.099 52.006 52.037 0.113 0.000 1.083 240 A CB -0.522 18.518 19.000 0.067 0.000 1.019 240 A HN 0.476 nan 8.150 nan 0.000 0.607 241 V N 0.591 120.577 119.914 0.120 0.000 2.667 241 V HA 0.463 4.581 4.120 -0.003 0.000 0.308 241 V C -0.155 175.952 176.094 0.022 0.000 1.048 241 V CA -0.859 61.475 62.300 0.057 0.000 0.928 241 V CB 1.805 33.643 31.823 0.024 0.000 1.004 241 V HN 0.756 nan 8.190 nan 0.000 0.444 242 E N 5.347 125.546 120.200 -0.002 0.000 2.249 242 E HA 0.683 5.031 4.350 -0.003 0.000 0.280 242 E C -0.174 176.400 176.600 -0.044 0.000 1.016 242 E CA -0.557 55.831 56.400 -0.020 0.000 0.830 242 E CB 1.668 31.355 29.700 -0.022 0.000 1.081 242 E HN 0.903 nan 8.360 nan 0.000 0.395 243 A N 3.425 126.213 122.820 -0.054 0.000 2.477 243 A HA 0.180 4.498 4.320 -0.003 0.000 0.246 243 A C 0.707 178.221 177.584 -0.117 0.000 1.078 243 A CA -0.541 51.449 52.037 -0.080 0.000 0.770 243 A CB 0.775 19.730 19.000 -0.075 0.000 1.011 243 A HN 0.619 nan 8.150 nan 0.000 0.494 244 V N 1.449 121.279 119.914 -0.140 0.000 2.490 244 V HA 0.089 4.207 4.120 -0.003 0.000 0.238 244 V C 0.494 176.412 176.094 -0.293 0.000 1.056 244 V CA 1.903 64.087 62.300 -0.194 0.000 1.075 244 V CB -0.153 31.579 31.823 -0.152 0.000 0.746 244 V HN 0.956 nan 8.190 nan 0.000 0.479 245 D N -0.210 120.061 120.400 -0.215 0.000 2.381 245 D HA 0.228 4.867 4.640 -0.003 0.000 0.245 245 D C -2.212 174.020 176.300 -0.113 0.000 1.297 245 D CA -1.405 52.479 54.000 -0.194 0.000 0.931 245 D CB 1.580 42.275 40.800 -0.176 0.000 1.334 245 D HN 0.134 nan 8.370 nan 0.000 0.535 246 P HA -0.030 nan 4.420 nan 0.000 0.244 246 P C 0.260 177.541 177.300 -0.032 0.000 1.211 246 P CA 0.079 63.144 63.100 -0.058 0.000 0.760 246 P CB 0.130 31.798 31.700 -0.052 0.000 0.961 247 V N 0.149 120.052 119.914 -0.019 0.000 2.248 247 V HA 0.404 4.522 4.120 -0.003 0.000 0.309 247 V C 1.624 177.722 176.094 0.007 0.000 1.722 247 V CA 0.783 63.090 62.300 0.012 0.000 1.693 247 V CB -0.855 31.005 31.823 0.062 0.000 1.470 247 V HN 0.368 nan 8.190 nan 0.000 0.518 248 G N 0.667 109.463 108.800 -0.006 0.000 4.106 248 G HA2 0.054 4.012 3.960 -0.003 0.000 0.220 248 G HA3 0.054 4.012 3.960 -0.003 0.000 0.220 248 G C 0.848 175.743 174.900 -0.010 0.000 0.853 248 G CA 0.366 45.466 45.100 -0.000 0.000 0.920 248 G HN 0.600 nan 8.290 nan 0.000 0.715 249 A N 0.842 123.651 122.820 -0.018 0.000 1.930 249 A HA 0.345 4.663 4.320 -0.003 0.000 0.217 249 A C 2.671 180.267 177.584 0.019 0.000 1.175 249 A CA 2.551 54.584 52.037 -0.008 0.000 0.627 249 A CB -0.928 18.056 19.000 -0.027 0.000 0.815 249 A HN 1.288 nan 8.150 nan 0.000 0.443 250 G N 0.274 109.072 108.800 -0.003 0.000 2.469 250 G HA2 -0.311 3.647 3.960 -0.003 0.000 0.219 250 G HA3 -0.311 3.647 3.960 -0.003 0.000 0.219 250 G C 1.103 176.010 174.900 0.011 0.000 1.150 250 G CA 1.394 46.497 45.100 0.004 0.000 0.763 250 G HN 0.521 nan 8.290 nan 0.000 0.561 251 D N 1.033 121.421 120.400 -0.020 0.000 2.103 251 D HA 0.035 4.673 4.640 -0.003 0.000 0.199 251 D C 2.853 179.086 176.300 -0.112 0.000 0.978 251 D CA 1.114 55.067 54.000 -0.079 0.000 0.829 251 D CB -0.773 39.998 40.800 -0.048 0.000 0.981 251 D HN 0.306 nan 8.370 nan 0.000 0.464 252 A N 0.949 123.739 122.820 -0.050 0.000 1.917 252 A HA -0.224 4.094 4.320 -0.003 0.000 0.219 252 A C 2.115 179.672 177.584 -0.046 0.000 1.182 252 A CA 1.320 53.322 52.037 -0.057 0.000 0.633 252 A CB -1.132 17.855 19.000 -0.023 0.000 0.819 252 A HN 0.221 nan 8.150 nan 0.000 0.448 253 F N 0.895 120.768 119.950 -0.129 0.000 2.046 253 F HA -0.134 4.391 4.527 -0.003 0.000 0.297 253 F C 2.612 178.321 175.800 -0.151 0.000 1.123 253 F CA 1.466 59.413 58.000 -0.089 0.000 1.199 253 F CB -0.757 38.207 39.000 -0.059 0.000 0.972 253 F HN 0.269 nan 8.300 nan 0.000 0.474 254 A N 0.570 123.192 122.820 -0.331 0.000 1.873 254 A HA -0.187 4.131 4.320 -0.003 0.000 0.218 254 A C 2.460 179.701 177.584 -0.572 0.000 1.193 254 A CA 2.555 54.041 52.037 -0.918 0.000 0.629 254 A CB -1.753 16.500 19.000 -1.245 0.000 0.826 254 A HN 0.609 nan 8.150 nan 0.000 0.447 255 A N -0.640 121.913 122.820 -0.444 0.000 1.873 255 A HA 0.006 4.324 4.320 -0.003 0.000 0.218 255 A C 2.534 179.929 177.584 -0.315 0.000 1.193 255 A CA 2.402 54.221 52.037 -0.363 0.000 0.629 255 A CB -1.656 17.175 19.000 -0.283 0.000 0.826 255 A HN 0.941 nan 8.150 nan 0.000 0.447 256 G N -1.990 106.648 108.800 -0.270 0.000 2.476 256 G HA2 -0.329 3.629 3.960 -0.003 0.000 0.218 256 G HA3 -0.329 3.629 3.960 -0.003 0.000 0.218 256 G C 1.573 176.334 174.900 -0.232 0.000 1.164 256 G CA 1.402 46.363 45.100 -0.231 0.000 0.768 256 G HN 0.555 nan 8.290 nan 0.000 0.560 257 Y N 0.965 121.036 120.300 -0.381 0.000 2.224 257 Y HA 0.024 4.572 4.550 -0.003 0.000 0.289 257 Y C 2.683 178.448 175.900 -0.224 0.000 1.146 257 Y CA 0.989 58.941 58.100 -0.246 0.000 1.182 257 Y CB -0.120 38.289 38.460 -0.085 0.000 0.983 257 Y HN 0.101 nan 8.280 nan 0.000 0.524 258 L N -1.176 119.917 121.223 -0.216 0.000 2.017 258 L HA -0.241 4.097 4.340 -0.003 0.000 0.208 258 L C 2.722 179.238 176.870 -0.589 0.000 1.073 258 L CA 1.209 55.791 54.840 -0.430 0.000 0.745 258 L CB -1.083 40.724 42.059 -0.421 0.000 0.894 258 L HN 0.277 nan 8.230 nan 0.000 0.432 259 A N 0.447 122.910 122.820 -0.596 0.000 1.892 259 A HA -0.186 4.132 4.320 -0.003 0.000 0.218 259 A C 2.382 179.418 177.584 -0.913 0.000 1.188 259 A CA 1.957 53.429 52.037 -0.942 0.000 0.631 259 A CB -1.362 17.093 19.000 -0.908 0.000 0.822 259 A HN 0.466 nan 8.150 nan 0.000 0.447 260 G N -0.528 107.976 108.800 -0.494 0.000 2.491 260 G HA2 -0.078 3.880 3.960 -0.003 0.000 0.218 260 G HA3 -0.078 3.880 3.960 -0.003 0.000 0.218 260 G C 1.815 176.567 174.900 -0.247 0.000 1.180 260 G CA 1.888 46.844 45.100 -0.240 0.000 0.774 260 G HN 0.903 nan 8.290 nan 0.000 0.562 261 A N 0.033 122.611 122.820 -0.403 0.000 1.883 261 A HA 0.013 4.331 4.320 -0.003 0.000 0.217 261 A C 2.606 180.094 177.584 -0.159 0.000 1.186 261 A CA 2.058 53.930 52.037 -0.276 0.000 0.624 261 A CB -0.809 17.973 19.000 -0.362 0.000 0.822 261 A HN 0.345 nan 8.150 nan 0.000 0.444 262 V N -1.861 117.848 119.914 -0.342 0.000 2.469 262 V HA -0.239 3.879 4.120 -0.003 0.000 0.251 262 V C 1.939 178.009 176.094 -0.040 0.000 1.064 262 V CA 1.430 63.600 62.300 -0.216 0.000 1.066 262 V CB -0.864 30.689 31.823 -0.451 0.000 0.667 262 V HN 0.799 nan 8.190 nan 0.000 0.461 263 W N -0.046 121.220 121.300 -0.056 0.000 3.353 263 W HA 0.469 5.127 4.660 -0.003 0.000 0.304 263 W C 1.604 178.105 176.519 -0.030 0.000 1.273 263 W CA 0.163 57.485 57.345 -0.038 0.000 1.773 263 W CB -1.017 28.412 29.460 -0.052 0.000 1.095 263 W HN 0.427 nan 8.180 nan 0.000 0.676 264 G N 1.914 110.804 108.800 0.149 0.000 2.350 264 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.298 264 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.298 264 G C -0.175 174.767 174.900 0.070 0.000 1.037 264 G CA -0.054 45.101 45.100 0.091 0.000 1.074 264 G HN 0.179 nan 8.290 nan 0.000 0.511 265 L N -0.449 120.803 121.223 0.048 0.000 2.343 265 L HA 0.481 4.819 4.340 -0.003 0.000 0.275 265 L C -1.834 175.031 176.870 -0.008 0.000 1.056 265 L CA -2.536 52.324 54.840 0.032 0.000 0.804 265 L CB 1.391 43.482 42.059 0.053 0.000 1.203 265 L HN -0.106 nan 8.230 nan 0.000 0.440 266 P HA -0.023 nan 4.420 nan 0.000 0.265 266 P C 1.017 178.320 177.300 0.006 0.000 1.193 266 P CA -0.149 62.956 63.100 0.009 0.000 0.765 266 P CB 0.717 32.428 31.700 0.018 0.000 0.823 267 V N 2.767 122.696 119.914 0.025 0.000 2.357 267 V HA -0.319 3.800 4.120 -0.003 0.000 0.257 267 V C 1.923 178.093 176.094 0.126 0.000 1.082 267 V CA 2.064 64.414 62.300 0.083 0.000 1.078 267 V CB -1.073 30.824 31.823 0.123 0.000 0.663 267 V HN 0.596 nan 8.190 nan 0.000 0.455 268 E N 0.215 120.467 120.200 0.087 0.000 2.031 268 E HA -0.211 4.137 4.350 -0.003 0.000 0.193 268 E C 2.213 178.876 176.600 0.104 0.000 0.994 268 E CA 1.596 58.055 56.400 0.098 0.000 0.800 268 E CB -0.354 29.383 29.700 0.062 0.000 0.752 268 E HN 0.711 nan 8.360 nan 0.000 0.447 269 E N 0.185 120.424 120.200 0.066 0.000 2.150 269 E HA -0.123 4.226 4.350 -0.003 0.000 0.193 269 E C 2.078 178.705 176.600 0.045 0.000 0.985 269 E CA 0.746 57.183 56.400 0.062 0.000 0.814 269 E CB -0.038 29.690 29.700 0.046 0.000 0.752 269 E HN 0.163 nan 8.360 nan 0.000 0.466 270 R N 0.460 120.942 120.500 -0.030 0.000 2.073 270 R HA -0.117 4.221 4.340 -0.003 0.000 0.234 270 R C 2.433 178.819 176.300 0.143 0.000 1.134 270 R CA 1.019 56.991 56.100 -0.212 0.000 0.952 270 R CB -0.464 29.326 30.300 -0.851 0.000 0.850 270 R HN 0.164 nan 8.270 nan 0.000 0.433 271 L N 0.405 121.851 121.223 0.373 0.000 1.961 271 L HA -0.184 4.155 4.340 -0.003 0.000 0.210 271 L C 2.887 179.929 176.870 0.287 0.000 1.072 271 L CA 1.394 56.473 54.840 0.398 0.000 0.749 271 L CB -0.602 41.669 42.059 0.353 0.000 0.889 271 L HN 0.215 nan 8.230 nan 0.000 0.432 272 R N 0.148 120.789 120.500 0.236 0.000 2.159 272 R HA -0.290 4.048 4.340 -0.003 0.000 0.249 272 R C 2.334 178.757 176.300 0.204 0.000 1.136 272 R CA 2.338 58.575 56.100 0.228 0.000 0.951 272 R CB -0.561 29.837 30.300 0.163 0.000 0.876 272 R HN 0.196 nan 8.270 nan 0.000 0.440 273 L N 0.570 121.871 121.223 0.130 0.000 1.989 273 L HA -0.134 4.204 4.340 -0.003 0.000 0.211 273 L C 2.439 179.326 176.870 0.028 0.000 1.071 273 L CA 2.351 57.234 54.840 0.071 0.000 0.749 273 L CB -1.011 41.065 42.059 0.028 0.000 0.890 273 L HN 0.313 nan 8.230 nan 0.000 0.431 274 A N -0.174 122.623 122.820 -0.038 0.000 1.892 274 A HA -0.312 4.006 4.320 -0.003 0.000 0.218 274 A C 2.001 179.666 177.584 0.136 0.000 1.188 274 A CA 2.390 54.245 52.037 -0.303 0.000 0.631 274 A CB -1.231 17.065 19.000 -1.173 0.000 0.822 274 A HN 0.768 nan 8.150 nan 0.000 0.447 275 N N -0.390 118.565 118.700 0.425 0.000 2.166 275 N HA -0.131 4.608 4.740 -0.003 0.000 0.186 275 N C 1.587 177.168 175.510 0.120 0.000 1.019 275 N CA 1.129 54.468 53.050 0.481 0.000 0.856 275 N CB -0.283 38.599 38.487 0.659 0.000 0.993 275 N HN 0.339 nan 8.380 nan 0.000 0.426 276 L N 1.263 122.526 121.223 0.066 0.000 2.042 276 L HA -0.134 4.204 4.340 -0.003 0.000 0.210 276 L C 2.010 178.839 176.870 -0.068 0.000 1.076 276 L CA 1.418 56.214 54.840 -0.075 0.000 0.749 276 L CB -0.452 41.606 42.059 -0.001 0.000 0.893 276 L HN 0.232 nan 8.230 nan 0.000 0.432 277 L N -1.070 120.144 121.223 -0.014 0.000 1.988 277 L HA -0.103 4.236 4.340 -0.003 0.000 0.207 277 L C 2.597 179.460 176.870 -0.012 0.000 1.071 277 L CA 1.972 56.794 54.840 -0.031 0.000 0.744 277 L CB -2.306 39.723 42.059 -0.050 0.000 0.893 277 L HN 0.416 nan 8.230 nan 0.000 0.433 278 G N -0.206 108.640 108.800 0.078 0.000 2.513 278 G HA2 -0.309 3.650 3.960 -0.003 0.000 0.219 278 G HA3 -0.309 3.650 3.960 -0.003 0.000 0.219 278 G C 1.768 176.655 174.900 -0.023 0.000 1.160 278 G CA 1.402 46.548 45.100 0.076 0.000 0.767 278 G HN 0.505 nan 8.290 nan 0.000 0.571 279 A N 0.426 123.197 122.820 -0.083 0.000 1.865 279 A HA -0.088 4.230 4.320 -0.003 0.000 0.217 279 A C 2.672 180.176 177.584 -0.133 0.000 1.191 279 A CA 2.569 54.503 52.037 -0.171 0.000 0.623 279 A CB -1.054 17.706 19.000 -0.400 0.000 0.826 279 A HN 0.467 nan 8.150 nan 0.000 0.444 280 S N -0.857 114.771 115.700 -0.121 0.000 2.370 280 S HA -0.132 4.336 4.470 -0.003 0.000 0.226 280 S C 1.851 176.401 174.600 -0.082 0.000 1.033 280 S CA 1.714 59.858 58.200 -0.093 0.000 1.011 280 S CB -0.450 62.703 63.200 -0.078 0.000 0.852 280 S HN 0.316 nan 8.310 nan 0.000 0.457 281 V N 1.693 121.562 119.914 -0.076 0.000 2.548 281 V HA 0.014 4.133 4.120 -0.003 0.000 0.249 281 V C 2.713 178.754 176.094 -0.090 0.000 1.055 281 V CA 1.414 63.666 62.300 -0.080 0.000 1.065 281 V CB -1.139 30.648 31.823 -0.060 0.000 0.681 281 V HN 0.572 nan 8.190 nan 0.000 0.462 282 A N 0.222 122.994 122.820 -0.081 0.000 1.969 282 A HA 0.065 4.383 4.320 -0.003 0.000 0.218 282 A C 2.191 179.717 177.584 -0.097 0.000 1.169 282 A CA 1.503 53.489 52.037 -0.085 0.000 0.635 282 A CB -0.471 18.485 19.000 -0.072 0.000 0.810 282 A HN 0.558 nan 8.150 nan 0.000 0.445 283 A N -1.144 121.621 122.820 -0.093 0.000 2.259 283 A HA 0.467 4.785 4.320 -0.003 0.000 0.208 283 A C 0.813 178.343 177.584 -0.089 0.000 1.201 283 A CA 0.552 52.537 52.037 -0.087 0.000 0.824 283 A CB -0.230 18.724 19.000 -0.078 0.000 0.838 283 A HN 0.274 nan 8.150 nan 0.000 0.485 284 S N -0.679 114.957 115.700 -0.105 0.000 2.569 284 S HA 0.489 4.957 4.470 -0.003 0.000 0.280 284 S C -0.292 174.213 174.600 -0.159 0.000 1.111 284 S CA -0.782 57.350 58.200 -0.113 0.000 0.887 284 S CB 1.301 64.439 63.200 -0.103 0.000 1.095 284 S HN 0.502 nan 8.310 nan 0.000 0.476 285 R N 1.038 121.443 120.500 -0.159 0.000 2.490 285 R HA 0.563 4.902 4.340 -0.003 0.000 0.280 285 R C 0.537 176.526 176.300 -0.519 0.000 1.077 285 R CA 0.314 56.284 56.100 -0.216 0.000 1.065 285 R CB 0.506 30.773 30.300 -0.055 0.000 1.003 285 R HN 0.980 nan 8.270 nan 0.000 0.470 286 G N 2.206 110.551 108.800 -0.758 0.000 2.587 286 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.686 286 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.686 286 G C -0.267 174.323 174.900 -0.517 0.000 1.236 286 G CA -0.569 43.804 45.100 -1.212 0.000 0.820 286 G HN 0.561 nan 8.290 nan 0.000 0.645 287 D N -0.136 120.054 120.400 -0.350 0.000 2.097 287 D HA -0.034 4.604 4.640 -0.003 0.000 0.195 287 D C 1.913 178.166 176.300 -0.078 0.000 0.989 287 D CA 2.251 56.197 54.000 -0.090 0.000 0.827 287 D CB -0.007 40.857 40.800 0.107 0.000 0.966 287 D HN 0.733 nan 8.370 nan 0.000 0.456 288 H N -1.801 117.207 119.070 -0.104 0.000 2.916 288 H HA 0.267 4.822 4.556 -0.003 0.000 0.262 288 H C -0.512 174.751 175.328 -0.108 0.000 1.178 288 H CA -0.300 55.687 56.048 -0.102 0.000 1.090 288 H CB 0.044 29.748 29.762 -0.095 0.000 1.657 288 H HN -0.047 nan 8.280 nan 0.000 0.601 289 E N 1.474 121.412 120.200 -0.437 0.000 2.360 289 E HA 0.300 4.648 4.350 -0.003 0.000 0.269 289 E C 0.953 177.460 176.600 -0.155 0.000 1.022 289 E CA 0.826 57.063 56.400 -0.272 0.000 0.887 289 E CB 1.316 30.837 29.700 -0.298 0.000 0.990 289 E HN 0.698 nan 8.360 nan 0.000 0.426 290 G N 1.731 110.484 108.800 -0.079 0.000 2.253 290 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.209 290 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.209 290 G C 0.438 175.297 174.900 -0.068 0.000 0.997 290 G CA -0.157 44.907 45.100 -0.061 0.000 0.640 290 G HN 0.773 nan 8.290 nan 0.000 0.496 291 A N 2.633 125.398 122.820 -0.093 0.000 2.522 291 A HA 0.589 4.908 4.320 -0.003 0.000 0.256 291 A C -0.954 176.478 177.584 -0.253 0.000 1.086 291 A CA -0.045 51.904 52.037 -0.147 0.000 0.763 291 A CB 0.084 18.996 19.000 -0.146 0.000 1.024 291 A HN 0.327 nan 8.150 nan 0.000 0.502 292 P HA 0.257 nan 4.420 nan 0.000 0.274 292 P C -1.106 176.013 177.300 -0.302 0.000 1.246 292 P CA 0.085 63.105 63.100 -0.133 0.000 0.795 292 P CB 0.459 32.143 31.700 -0.028 0.000 1.006 293 Y N -0.682 119.630 120.300 0.020 0.000 2.457 293 Y HA 0.372 4.921 4.550 -0.003 0.000 0.333 293 Y C 2.294 178.218 175.900 0.040 0.000 1.119 293 Y CA -0.599 57.518 58.100 0.029 0.000 1.143 293 Y CB 0.803 39.276 38.460 0.021 0.000 1.230 293 Y HN 0.348 nan 8.280 nan 0.000 0.469 294 R N 1.432 122.046 120.500 0.191 0.000 2.136 294 R HA -0.283 4.055 4.340 -0.003 0.000 0.242 294 R C 1.717 178.074 176.300 0.094 0.000 1.131 294 R CA 2.595 58.778 56.100 0.139 0.000 0.937 294 R CB -0.219 30.158 30.300 0.128 0.000 0.863 294 R HN 1.009 nan 8.270 nan 0.000 0.435 295 E N -0.401 119.857 120.200 0.096 0.000 2.393 295 E HA -0.208 4.140 4.350 -0.003 0.000 0.201 295 E C 0.825 177.456 176.600 0.053 0.000 1.025 295 E CA 1.430 57.862 56.400 0.053 0.000 0.856 295 E CB -0.126 29.597 29.700 0.038 0.000 0.771 295 E HN 0.436 nan 8.360 nan 0.000 0.526 296 D N 1.200 121.652 120.400 0.086 0.000 2.137 296 D HA -0.020 4.618 4.640 -0.003 0.000 0.202 296 D C 2.189 178.517 176.300 0.047 0.000 0.970 296 D CA 0.678 54.721 54.000 0.072 0.000 0.837 296 D CB -0.136 40.727 40.800 0.106 0.000 0.981 296 D HN 0.248 nan 8.370 nan 0.000 0.475 297 L N 1.173 122.426 121.223 0.049 0.000 2.012 297 L HA -0.174 4.164 4.340 -0.003 0.000 0.210 297 L C 2.328 179.204 176.870 0.010 0.000 1.073 297 L CA 1.235 56.096 54.840 0.034 0.000 0.748 297 L CB -0.562 41.521 42.059 0.040 0.000 0.891 297 L HN 0.015 nan 8.230 nan 0.000 0.431 298 E N 0.189 120.388 120.200 -0.002 0.000 2.049 298 E HA -0.234 4.114 4.350 -0.003 0.000 0.198 298 E C 2.168 178.764 176.600 -0.007 0.000 1.007 298 E CA 1.949 58.338 56.400 -0.018 0.000 0.809 298 E CB -0.426 29.262 29.700 -0.020 0.000 0.749 298 E HN 0.446 nan 8.360 nan 0.000 0.450 299 V N 1.044 120.960 119.914 0.004 0.000 2.358 299 V HA -0.196 3.923 4.120 -0.003 0.000 0.246 299 V C 2.304 178.404 176.094 0.009 0.000 1.047 299 V CA 1.280 63.584 62.300 0.006 0.000 1.035 299 V CB -0.668 31.162 31.823 0.010 0.000 0.658 299 V HN 0.155 nan 8.190 nan 0.000 0.452 300 L N -0.796 120.435 121.223 0.014 0.000 2.549 300 L HA 0.069 4.408 4.340 -0.003 0.000 0.229 300 L C 1.789 178.669 176.870 0.017 0.000 1.158 300 L CA 1.427 56.278 54.840 0.019 0.000 0.842 300 L CB -0.543 41.531 42.059 0.025 0.000 0.952 300 L HN 0.274 nan 8.230 nan 0.000 0.452 301 L N -0.148 121.079 121.223 0.007 0.000 2.276 301 L HA 0.421 4.759 4.340 -0.003 0.000 0.194 301 L C 1.136 178.005 176.870 -0.001 0.000 1.099 301 L CA 1.625 56.466 54.840 0.000 0.000 0.800 301 L CB -0.384 41.665 42.059 -0.016 0.000 0.994 301 L HN 0.170 nan 8.230 nan 0.000 0.475 302 K N 0.000 120.397 120.400 -0.005 0.000 2.780 302 K HA 0.000 4.318 4.320 -0.003 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